A0A087XKK3_POEFO Loading...

Leucine-rich repeat and coiled-coil domain-containing protein 1

Required for the organization of the mitotic spindle. Maintains the structural integrity of centrosomes during mitosis.

AlphaFold DB , UniProt , Accession A0A087XKK3, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 1,019 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M37.5Very low77Confident221 Ų221103 Ų103100%1.08955%0.545SS*.  0168.80-63.1-178.1-174.200107.3
2G47.4Very low78Confident58 Ų58105.9 Ų105.960%0.59855%0.553SS**  trans-76.6127.3171.100000110.1K4G2-K4 PolarHBondContact O-N 3.09Å
3D57.4Low78.9Confident118 Ų118100.6 Ų100.663%0.63153%0.525SS*.  trans-70.9129.6-176.9-58.9-53.5000111.1E5D3-E5 VanDerWaalsContact C-N 3.26Å
4K80.3Confident79.7Confident144 Ų144100.1 Ų100.163%0.62653%0.529SS*.SBendtrans-76.4-17.8176.5-68.9-175.5177.7-178.30112.6G2 T26 S27G2-K4 PolarHBondContact O-N 3.09Å; K4-T26 PolarHBondContact O-N 3.49Å; K4-T26 PolarHBondContact O-OG1 3.24Å; K4-T26 VanDerWaalsContact O-OG1 3.07Å; K4-S27 PolarHBondContact O-N 3.01Å
5E86.7Confident80.4Confident146 Ų14694.7 Ų94.768%0.68250%0.502SS*.EExtended strand (participates in β ladder)trans-130113.3-176.3-54.1-172.4170.800107.6D3 S27D3-E5 VanDerWaalsContact C-N 3.26Å; E5-S27 CarbonylContact C-O 3.59Å; E5-S27 WeakPolarHBondContact CA-O 3.17Å
6L88.6Confident80.8Confident38 Ų3888.8 Ų88.820%0.19947%0.471CS..EExtended strand (participates in β ladder)trans-110.9110.5-178.1-18056.6000109L8 V19 L21 V25 S27 L28 N29L6-L8 HydrophobicContact CD1-CD1 4.09Å; L6-L8 HydrophobicContact CD1-CD2 4.27Å; L6-L8 HydrophobicContact CD1-CG 3.97Å; L6-L8 HydrophobicContact CD2-CD1 4.17Å; L6-L8 HydrophobicContact CG-CD1 4.05Å; L6-L8 HydrophobicContact CG-CG 4.14Å; L6-V19 HydrophobicContact CD2-CG1 3.72Å; L6-L21 HydrophobicContact CD2-CD2 4.37Å; L6-V25 HydrophobicContact CB-CG1 4.27Å; L6-S27 PolarHBondContact N-O 3.39Å; L6-L28 HydrophobicContact CB-CD1 4Å; L6-L28 HydrophobicContact CD2-CD1 3.96Å; L6-L28 HydrophobicContact CG-CD1 3.96Å; L6-L28 WeakPolarHBondContact O-CA 3.47Å; L6-N29 PolarHBondContact O-N 3.03Å
7S90Very high81.1Confident76 Ų7691 Ų9153%0.53148%0.476SS..EExtended strand (participates in β ladder)trans-112.9113.6-179.7-170.10000110.5
8L89.3Confident80.9Confident41 Ų4192.1 Ų92.122%0.21548%0.482CS..  trans-12745.1-176.3-65.4175.7000110.1L6 K11 L13 V19 N29 L30 N33L6-L8 HydrophobicContact CD1-CD1 4.09Å; L6-L8 HydrophobicContact CD1-CD2 4.27Å; L6-L8 HydrophobicContact CD1-CG 3.97Å; L6-L8 HydrophobicContact CD2-CD1 4.17Å; L6-L8 HydrophobicContact CG-CD1 4.05Å; L6-L8 HydrophobicContact CG-CG 4.14Å; L8-K11 HydrophobicContact CB-CG 4.17Å; L8-K11 HydrophobicContact CD2-CG 4.49Å; L8-K11 WeakPolarHBondContact O-CG 3.45Å; L8-L13 HydrophobicContact CB-CD1 4.15Å; L8-L13 HydrophobicContact CD1-CD1 4.32Å; L8-V19 HydrophobicContact CD1-CG1 3.75Å; L8-V19 HydrophobicContact CD1-CG2 4.23Å; L8-N29 PolarHBondContact N-O 3.03Å; L8-L30 HydrophobicContact CB-CD2 3.86Å; L8-L30 HydrophobicContact CD1-CD2 4.27Å; L8-N33 PolarHBondContact O-ND2 3.28Å
9I90.8Very high81Confident68 Ų6887.7 Ų87.735%0.34946%0.46SS..  trans-65.8134.5177.3-56.1175.1000110.1K11 N29 H31I9-K11 PolarHBondContact O-NZ 2.8Å; I9-N29 HydrophobicContact CG1-CB 4.49Å; I9-N29 WeakPolarHBondContact CG1-OD1 3.42Å; I9-H31 WeakPolarHBondContact CA-O 3.38Å; I9-H31 HydrophobicContact CG1-CB 4.26Å; I9-H31 HydrophobicContact CG2-CB 4.28Å
10D89.9Confident80.7Confident101 Ų10189.1 Ų89.154%0.5447%0.474SS..SBendtrans46.566.9179.6-168.417.7000112.8H31 C32D10-H31 PolarHBondContact N-O 2.93Å; D10-H31 VanDerWaalsContact N-O 3.1Å; D10-C32 WeakPolarHBondContact CA-O 3.45Å; D10-C32 HydrophobicContact CB-CB 4.41Å
11K89.1Confident80.7Confident122 Ų12285.9 Ų85.953%0.5346%0.457SS..  trans-121.111.1177.8-61.6-68.2158.6-82.30112.2L8 I9 L13 N33L8-K11 HydrophobicContact CB-CG 4.17Å; L8-K11 HydrophobicContact CD2-CG 4.49Å; L8-K11 WeakPolarHBondContact O-CG 3.45Å; I9-K11 PolarHBondContact O-NZ 2.8Å; K11-L13 HydrophobicContact CB-CD1 4.18Å; K11-L13 HydrophobicContact CB-CD2 4.5Å; K11-L13 HydrophobicContact CB-CG 3.91Å; K11-L13 PolarHBondContact O-N 3.33Å; K11-L13 VanDerWaalsContact O-N 3.09Å; K11-N33 VanDerWaalsContact C-OD1 3.31Å; K11-N33 WeakPolarHBondContact CA-OD1 3.32Å; K11-N33 PolarHBondContact N-OD1 3.12Å
12Q88.9Confident82.7Confident138 Ų13877.4 Ų77.465%0.64542%0.419SS*.  trans53.725.6179.2-56.3179.74.700114T14 N33Q12-T14 PolarHBondContact O-N 3.43Å; Q12-N33 PolarHBondContact N-OD1 3.36Å
13L89.9Confident84.2Confident37 Ų3778 Ų7819%0.19441%0.413CS..  trans-63.9131-174.3-64.5169000111.4L8 K11 V19 L30 N33 H34 I35L8-L13 HydrophobicContact CB-CD1 4.15Å; L8-L13 HydrophobicContact CD1-CD1 4.32Å; K11-L13 HydrophobicContact CB-CD1 4.18Å; K11-L13 HydrophobicContact CB-CD2 4.5Å; K11-L13 HydrophobicContact CB-CG 3.91Å; K11-L13 PolarHBondContact O-N 3.33Å; K11-L13 VanDerWaalsContact O-N 3.09Å; L13-V19 HydrophobicContact CD1-CG2 4.04Å; L13-L30 HydrophobicContact CD1-CD2 3.56Å; L13-N33 HydrophobicContact CB-CB 4.15Å; L13-N33 PolarHBondContact N-OD1 3.39Å; L13-H34 CarbonylContact O-C 3.6Å; L13-H34 VanDerWaalsContact O-CA 3.3Å; L13-H34 WeakPolarHBondContact O-CA 3.41Å; L13-H34 PolarHBondContact O-N 3.39Å; L13-I35 HydrophobicContact CB-CD1 4.47Å; L13-I35 HydrophobicContact CB-CG1 4.28Å; L13-I35 WeakPolarHBondContact O-CG1 3.48Å; L13-I35 PolarHBondContact O-N 3.02Å
14T90.1Very high85.3Confident93 Ų9374.8 Ų74.857%0.57140%0.402SS*.SBendtrans-106.7-20-176.352.10000113.8Q12 H34 P36Q12-T14 PolarHBondContact O-N 3.43Å; T14-H34 HydrophobicContact CG2-CB 4.4Å; T14-P36 WeakPolarHBondContact O-CD 3.29Å
15S90.1Very high85.7Confident19 Ų1968.1 Ų68.113%0.13337%0.373CS..  trans-133.2153.8162-178.80000110.4K17 E39S15-K17 PolarHBondContact OG-N 3.27Å; S15-K17 VanDerWaalsContact OG-N 3.11Å; S15-E39 PolarHBondContact OG-OE1 3.05Å
16L87.4Confident85.9Confident0 Ų063.2 Ų63.20%035%0.354CS..SBendtrans-83.1-18173.1-152.2160.5000110.9D18 V19 L21 L30 I35 E39 L41 L52L16-D18 PolarHBondContact O-N 3.32Å; L16-V19 WeakPolarHBondContact O-CB 3.14Å; L16-V19 PolarHBondContact O-N 2.99Å; L16-V19 VanDerWaalsContact O-N 3.16Å; L16-L21 HydrophobicContact CD2-CD1 3.74Å; L16-L30 HydrophobicContact CD1-CD1 3.82Å; L16-L30 HydrophobicContact CD2-CD1 4.39Å; L16-L30 HydrophobicContact CG-CD1 3.86Å; L16-I35 HydrophobicContact CB-CD1 4.37Å; L16-I35 HydrophobicContact CB-CG2 4.27Å; L16-I35 HydrophobicContact CD1-CD1 4.38Å; L16-I35 HydrophobicContact CG-CD1 4.35Å; L16-E39 WeakPolarHBondContact CB-O 3.5Å; L16-E39 WeakPolarHBondContact CD2-O 3.49Å; L16-L41 HydrophobicContact CD1-CD1 4.4Å; L16-L41 HydrophobicContact CD1-CD2 4.37Å; L16-L41 HydrophobicContact CD1-CG 4.34Å; L16-L41 HydrophobicContact CD2-CD2 3.66Å; L16-L41 HydrophobicContact CD2-CG 3.94Å; L16-L52 HydrophobicContact CD1-CD2 3.78Å
17K84.8Confident86.1Confident127 Ų12762.6 Ų62.655%0.55235%0.353SS*.THydrogen-bonded Turntrans-61.5-28.5173.8-65.9-165.2-169.890.60113.5S15 V19 E39S15-K17 PolarHBondContact OG-N 3.27Å; S15-K17 VanDerWaalsContact OG-N 3.11Å; K17-V19 PolarHBondContact O-N 3.38Å; K17-E39 WeakPolarHBondContact CE-OE2 3.5Å; K17-E39 HydrophobicContact CG-CG 4.19Å; K17-E39 IonicContact NZ-OE1 3.42Å; K17-E39 PolarHBondContact NZ-OE1 3.37Å; K17-E39 IonicContact NZ-OE2 2.62Å; K17-E39 PolarHBondContact NZ-OE2 2.59Å
18D78.5Confident86.2Confident111 Ų11159 Ų5959%0.59433%0.327SS*.THydrogen-bonded Turntrans-78.6-5.7-178-53-43.1000112.2L16L16-D18 PolarHBondContact O-N 3.32Å
19V83Confident86.4Confident9 Ų958.4 Ų58.46%0.05532%0.324CS..SBendtrans-83.9123.1174.3-1770000109.7L6 L8 L13 L16 K17 L21 L30L6-V19 HydrophobicContact CD2-CG1 3.72Å; L8-V19 HydrophobicContact CD1-CG1 3.75Å; L8-V19 HydrophobicContact CD1-CG2 4.23Å; L13-V19 HydrophobicContact CD1-CG2 4.04Å; L16-V19 WeakPolarHBondContact O-CB 3.14Å; L16-V19 PolarHBondContact O-N 2.99Å; L16-V19 VanDerWaalsContact O-N 3.16Å; K17-V19 PolarHBondContact O-N 3.38Å; V19-L21 VanDerWaalsContact C-N 3.32Å; V19-L21 HydrophobicContact CB-CG 4.34Å; V19-L21 HydrophobicContact CG1-CD2 3.76Å; V19-L21 HydrophobicContact CG1-CG 4.04Å; V19-L21 PolarHBondContact O-N 2.89Å; V19-L30 HydrophobicContact CG2-CD2 4.09Å
20P75.1Confident86.6Confident114 Ų11455.1 Ų55.174%0.7431%0.308SS*.  trans-75.379.6-179.730.3-35.2000112S22P20-S22 PolarHBondContact O-N 3.09Å
21L79.6Confident86.8Confident23 Ų2353.2 Ų53.212%0.1230%0.295CS..  trans-78.8110.7-176.7-65.8174.4000113.1L6 L16 V19 L28 L41 S43L6-L21 HydrophobicContact CD2-CD2 4.37Å; L16-L21 HydrophobicContact CD2-CD1 3.74Å; V19-L21 VanDerWaalsContact C-N 3.32Å; V19-L21 HydrophobicContact CB-CG 4.34Å; V19-L21 HydrophobicContact CG1-CD2 3.76Å; V19-L21 HydrophobicContact CG1-CG 4.04Å; V19-L21 PolarHBondContact O-N 2.89Å; L21-L28 HydrophobicContact CD2-CD1 4.19Å; L21-L28 HydrophobicContact CD2-CD2 3.7Å; L21-L41 HydrophobicContact CD1-CD2 3.84Å; L21-S43 PolarHBondContact O-OG 3.43Å
22S79.3Confident87.1Confident42 Ų4249.5 Ų49.529%0.29428%0.284SS..  trans-86.1151170.390.70000112P20 A24 V25P20-S22 PolarHBondContact O-N 3.09Å; S22-A24 PolarHBondContact O-N 3.27Å; S22-A24 PolarHBondContact OG-N 3.4Å; S22-V25 WeakPolarHBondContact O-CG2 3.4Å; S22-V25 PolarHBondContact O-N 3.27Å
23P78.8Confident87.3Confident72 Ų7243 Ų4347%0.46825%0.254SS..THydrogen-bonded Turntrans-70.54.3176.731.1-37.1000114.1S43 H46P23-S43 WeakPolarHBondContact CA-O 3.45Å; P23-S43 WeakPolarHBondContact CB-O 3.3Å; P23-H46 PolarHBondContact O-ND1 2.82Å
24A82.3Confident87.5Confident49 Ų4944.9 Ų44.941%0.40526%0.261SS..THydrogen-bonded Turntrans-100.6-4176.500000113.7S22 T26S22-A24 PolarHBondContact O-N 3.27Å; S22-A24 PolarHBondContact OG-N 3.4Å; A24-T26 PolarHBondContact O-N 3.03Å
25V88.7Confident87.8Confident4 Ų440.4 Ų40.42%0.02423%0.234CC..  trans-72.1122.8178.3-177.60000109.9L6 S22 S27 L28 L47L6-V25 HydrophobicContact CB-CG1 4.27Å; S22-V25 WeakPolarHBondContact O-CG2 3.4Å; S22-V25 PolarHBondContact O-N 3.27Å; V25-S27 WeakPolarHBondContact CG1-O 3.48Å; V25-L28 HydrophobicContact CG1-CB 4.39Å; V25-L47 HydrophobicContact CG1-CD1 3.96Å
26T90.3Very high87.9Confident44 Ų4442.4 Ų42.427%0.2725%0.246SC..  trans-105.8-20.6175.749.50000113.1K4 A24 H46 H48 Y49K4-T26 PolarHBondContact O-N 3.49Å; K4-T26 PolarHBondContact O-OG1 3.24Å; K4-T26 VanDerWaalsContact O-OG1 3.07Å; A24-T26 PolarHBondContact O-N 3.03Å; T26-H46 HydrophobicContact CG2-CB 4.47Å; T26-H48 WeakPolarHBondContact O-CA 3.42Å; T26-H48 WeakPolarHBondContact O-CB 3.33Å; T26-H48 PolarHBondContact O-N 2.91Å; T26-Y49 PolarHBondContact O-N 3.22Å; T26-Y49 VanDerWaalsContact O-N 3.17Å
27S92.3Very high88.2Confident25 Ų2548.4 Ų48.418%0.17527%0.269CS..EExtended strand (participates in β ladder)trans-133.1132.1172.8-173.10000110.8K4 E5 L6 V25 Y49K4-S27 PolarHBondContact O-N 3.01Å; E5-S27 CarbonylContact C-O 3.59Å; E5-S27 WeakPolarHBondContact CA-O 3.17Å; L6-S27 PolarHBondContact N-O 3.39Å; V25-S27 WeakPolarHBondContact CG1-O 3.48Å; S27-Y49 VanDerWaalsContact OG-CD1 3.28Å; S27-Y49 WeakPolarHBondContact OG-CD1 3.44Å
28L93.3Very high88.7Confident0 Ų042.5 Ų42.50%024%0.244CC..EExtended strand (participates in β ladder)trans-132119.4178178.460.3000109.2L6 L21 V25 L30 L41 L47 Y49 L50 D51L6-L28 HydrophobicContact CB-CD1 4Å; L6-L28 HydrophobicContact CD2-CD1 3.96Å; L6-L28 HydrophobicContact CG-CD1 3.96Å; L6-L28 WeakPolarHBondContact O-CA 3.47Å; L21-L28 HydrophobicContact CD2-CD1 4.19Å; L21-L28 HydrophobicContact CD2-CD2 3.7Å; V25-L28 HydrophobicContact CG1-CB 4.39Å; L28-L30 HydrophobicContact CD1-CD1 4.08Å; L28-L30 HydrophobicContact CD1-CG 4.07Å; L28-L30 HydrophobicContact CD2-CD1 3.84Å; L28-L30 HydrophobicContact CG-CD1 3.87Å; L28-L30 HydrophobicContact CG-CG 4.16Å; L28-L41 HydrophobicContact CD2-CD2 3.8Å; L28-L47 HydrophobicContact CB-CD1 3.66Å; L28-L47 HydrophobicContact CB-CD2 4.22Å; L28-L47 HydrophobicContact CD2-CD2 4.49Å; L28-Y49 PolarHBondContact N-O 2.95Å; L28-L50 HydrophobicContact CB-CD1 4.18Å; L28-L50 HydrophobicContact CD2-CD1 3.91Å; L28-L50 HydrophobicContact CG-CD1 4.08Å; L28-L50 WeakPolarHBondContact O-CA 3.5Å; L28-D51 PolarHBondContact O-N 3.13Å
29N93.4Very high89.3Confident28 Ų2839.5 Ų39.515%0.1523%0.226CC..EExtended strand (participates in β ladder)trans-117.9118.5175.8-168.6-32.8000110.3L6 L8 I9 H31 D51L6-N29 PolarHBondContact O-N 3.03Å; L8-N29 PolarHBondContact N-O 3.03Å; I9-N29 HydrophobicContact CG1-CB 4.49Å; I9-N29 WeakPolarHBondContact CG1-OD1 3.42Å; N29-H31 WeakPolarHBondContact OD1-CB 3.46Å; N29-H31 PolarHBondContact OD1-N 3.3Å; N29-D51 HydrophobicContact CB-CB 4.35Å
30L93.6Very high89.4Confident0 Ų040.9 Ų40.90%024%0.242CC..  trans-124.326-179.1-70.7162.2000111.2L8 L13 L16 V19 L28 N33 I35 D51 L52 N55L8-L30 HydrophobicContact CB-CD2 3.86Å; L8-L30 HydrophobicContact CD1-CD2 4.27Å; L13-L30 HydrophobicContact CD1-CD2 3.56Å; L16-L30 HydrophobicContact CD1-CD1 3.82Å; L16-L30 HydrophobicContact CD2-CD1 4.39Å; L16-L30 HydrophobicContact CG-CD1 3.86Å; V19-L30 HydrophobicContact CG2-CD2 4.09Å; L28-L30 HydrophobicContact CD1-CD1 4.08Å; L28-L30 HydrophobicContact CD1-CG 4.07Å; L28-L30 HydrophobicContact CD2-CD1 3.84Å; L28-L30 HydrophobicContact CG-CD1 3.87Å; L28-L30 HydrophobicContact CG-CG 4.16Å; L30-N33 VanDerWaalsContact C-ND2 3.35Å; L30-N33 PolarHBondContact O-ND2 3.08Å; L30-I35 HydrophobicContact CB-CD1 4.24Å; L30-I35 HydrophobicContact CD1-CD1 4.16Å; L30-I35 HydrophobicContact CD2-CD1 4.32Å; L30-I35 HydrophobicContact CG-CD1 4.49Å; L30-D51 WeakPolarHBondContact CA-O 3.47Å; L30-D51 WeakPolarHBondContact CB-O 3.41Å; L30-D51 PolarHBondContact N-O 2.86Å; L30-L52 HydrophobicContact CB-CD2 3.9Å; L30-L52 HydrophobicContact CD1-CD2 3.79Å; L30-N55 PolarHBondContact O-ND2 3.23Å
31H94.9Very high90Very high60 Ų6035.5 Ų35.528%0.27821%0.207SC..  trans-54.1143.8177.9178.875.7000112.8I9 D10 N29 N33 S53 S54I9-H31 WeakPolarHBondContact CA-O 3.38Å; I9-H31 HydrophobicContact CG1-CB 4.26Å; I9-H31 HydrophobicContact CG2-CB 4.28Å; D10-H31 PolarHBondContact N-O 2.93Å; D10-H31 VanDerWaalsContact N-O 3.1Å; N29-H31 WeakPolarHBondContact OD1-CB 3.46Å; N29-H31 PolarHBondContact OD1-N 3.3Å; H31-N33 PolarHBondContact O-ND2 2.99Å; H31-S53 WeakPolarHBondContact CA-O 3.4Å; H31-S53 PolarHBondContact ND1-OG 3.21Å; H31-S54 PolarHBondContact CE1-OG 3.42Å
32C94.1Very high90.3Very high45 Ų4538.7 Ų38.730%0.30423%0.232SC..SBendtrans55.651.7179-78.10000113.8D10 S53 S54D10-C32 WeakPolarHBondContact CA-O 3.45Å; D10-C32 HydrophobicContact CB-CB 4.41Å; C32-S53 PolarHBondContact N-O 3.36Å; C32-S53 VanDerWaalsContact N-O 3.14Å; C32-S54 VanDerWaalsContact CA-O 3.25Å; C32-S54 WeakPolarHBondContact CA-O 3.38Å; C32-S54 PolarHBondContact N-O 3.1Å; C32-S54 WeakPolarHBondContact SG-CB 3.41Å
33N94.6Very high90.5Very high2 Ų238.9 Ų38.91%0.01123%0.233CC..  trans-116.2-168.2171.3-77.5-75.7000110.8L8 K11 Q12 L13 L30 H31 I35 S54 N55L8-N33 PolarHBondContact O-ND2 3.28Å; K11-N33 VanDerWaalsContact C-OD1 3.31Å; K11-N33 WeakPolarHBondContact CA-OD1 3.32Å; K11-N33 PolarHBondContact N-OD1 3.12Å; Q12-N33 PolarHBondContact N-OD1 3.36Å; L13-N33 HydrophobicContact CB-CB 4.15Å; L13-N33 PolarHBondContact N-OD1 3.39Å; L30-N33 VanDerWaalsContact C-ND2 3.35Å; L30-N33 PolarHBondContact O-ND2 3.08Å; H31-N33 PolarHBondContact O-ND2 2.99Å; N33-I35 HydrophobicContact CB-CD1 4.31Å; N33-I35 HydrophobicContact CB-CG1 4.21Å; N33-S54 PolarHBondContact N-O 3.04Å; N33-N55 WeakPolarHBondContact CA-OD1 3.38Å; N33-N55 WeakPolarHBondContact CB-OD1 3.41Å; N33-N55 PolarHBondContact O-OD1 2.88Å
34H93.9Very high90.9Very high75 Ų7535.4 Ų35.435%0.34721%0.21SC..  trans-119.923.2-176.7-66.3-6.3000112.2L13 T14 P36 N55 R56L13-H34 CarbonylContact O-C 3.6Å; L13-H34 VanDerWaalsContact O-CA 3.3Å; L13-H34 WeakPolarHBondContact O-CA 3.41Å; L13-H34 PolarHBondContact O-N 3.39Å; T14-H34 HydrophobicContact CG2-CB 4.4Å; H34-P36 WeakPolarHBondContact O-CD 3.38Å; H34-N55 PolarHBondContact N-OD1 3.2Å; H34-R56 PolarHBondContact CD2-NH2 3.34Å; H34-R56 PolarHBondContact NE2-NH2 3.33Å
35I95.1Very high91.1Very high0 Ų039.3 Ų39.30%022%0.215CC..  trans-67.1123.1-175.2-59170.9000109.2L13 L16 L30 N33 R37 L52 N55 R56 I57L13-I35 HydrophobicContact CB-CD1 4.47Å; L13-I35 HydrophobicContact CB-CG1 4.28Å; L13-I35 WeakPolarHBondContact O-CG1 3.48Å; L13-I35 PolarHBondContact O-N 3.02Å; L16-I35 HydrophobicContact CB-CD1 4.37Å; L16-I35 HydrophobicContact CB-CG2 4.27Å; L16-I35 HydrophobicContact CD1-CD1 4.38Å; L16-I35 HydrophobicContact CG-CD1 4.35Å; L30-I35 HydrophobicContact CB-CD1 4.24Å; L30-I35 HydrophobicContact CD1-CD1 4.16Å; L30-I35 HydrophobicContact CD2-CD1 4.32Å; L30-I35 HydrophobicContact CG-CD1 4.49Å; N33-I35 HydrophobicContact CB-CD1 4.31Å; N33-I35 HydrophobicContact CB-CG1 4.21Å; I35-R37 WeakPolarHBondContact CG2-O 3.43Å; I35-L52 HydrophobicContact CD1-CD2 4.21Å; I35-N55 WeakPolarHBondContact CB-OD1 3.28Å; I35-N55 PolarHBondContact N-OD1 2.93Å; I35-R56 CarbonylContact O-C 3.58Å; I35-R56 WeakPolarHBondContact O-CA 3.27Å; I35-R56 PolarHBondContact O-N 3.21Å; I35-I57 WeakPolarHBondContact O-CG1 3.49Å; I35-I57 PolarHBondContact O-N 3.43Å
36P93.5Very high91.1Very high60 Ų6042.6 Ų42.639%0.3923%0.23SC..  trans-94.6-17-177.635.9-35.1000113.6T14 H34T14-P36 WeakPolarHBondContact O-CD 3.29Å; H34-P36 WeakPolarHBondContact O-CD 3.38Å
37R93.6Very high91.2Very high126 Ų12640.5 Ų40.548%0.47522%0.217SC..SBendtrans-147.3147.8-174.5-63-173.570.2-166.72.3111.1I35 E61I35-R37 WeakPolarHBondContact CG2-O 3.43Å; R37-E61 IonicContact CZ-OE1 2.7Å; R37-E61 IonicContact NE-OE1 2.67Å; R37-E61 PolarHBondContact NE-OE1 3.24Å; R37-E61 VanDerWaalsContact NH2-CD 3.27Å; R37-E61 IonicContact NH2-OE1 3.6Å; R37-E61 PolarHBondContact NH2-OE1 3.43Å; R37-E61 IonicContact NH2-OE2 2.73Å; R37-E61 PolarHBondContact NH2-OE2 2.89Å; R37-E61 VanDerWaalsContact NH2-OE2 3.11Å
38I94Very high91.2Very high3 Ų342.5 Ų42.52%0.01522%0.223CC..  trans-90.2107.2175.8-59.4167.3000108.5L41 L52 I57 E61 L63 L74I38-L41 HydrophobicContact CG2-CD1 3.5Å; I38-L41 VanDerWaalsContact CG2-CD1 3.5Å; I38-L52 HydrophobicContact CD1-CD1 4.27Å; I38-L52 HydrophobicContact CG1-CD1 4.07Å; I38-I57 HydrophobicContact CD1-CD1 4.28Å; I38-I57 HydrophobicContact CD1-CG2 4.08Å; I38-I57 HydrophobicContact CG1-CD1 3.86Å; I38-I57 HydrophobicContact CG1-CG1 4.42Å; I38-I57 HydrophobicContact CG1-CG2 4.08Å; I38-E61 VanDerWaalsContact CB-O 3.26Å; I38-E61 WeakPolarHBondContact CB-O 3.46Å; I38-E61 WeakPolarHBondContact CG2-O 3.5Å; I38-L63 HydrophobicContact CD1-CD1 4.45Å; I38-L63 HydrophobicContact CD1-CG 4.47Å; I38-L63 HydrophobicContact CG2-CD2 3.85Å; I38-L63 HydrophobicContact CG2-CG 4.23Å; I38-L74 HydrophobicContact CD1-CD2 4.04Å
39E91.2Very high91.3Very high48 Ų4845.8 Ų45.822%0.22424%0.236CC..  trans-147.9157.4-177.449.2172.4-151.600111.4S15 L16 K17 L41S15-E39 PolarHBondContact OG-OE1 3.05Å; L16-E39 WeakPolarHBondContact CB-O 3.5Å; L16-E39 WeakPolarHBondContact CD2-O 3.49Å; K17-E39 WeakPolarHBondContact CE-OE2 3.5Å; K17-E39 HydrophobicContact CG-CG 4.19Å; K17-E39 IonicContact NZ-OE1 3.42Å; K17-E39 PolarHBondContact NZ-OE1 3.37Å; K17-E39 IonicContact NZ-OE2 2.62Å; K17-E39 PolarHBondContact NZ-OE2 2.59Å; E39-L41 VanDerWaalsContact C-N 3.31Å; E39-L41 PolarHBondContact O-N 2.9Å
40G85.7Confident91.4Very high39 Ų3944.4 Ų44.440%0.40223%0.229SC..SBendtrans83.4-11.9177.800000116.4S42G40-S42 PolarHBondContact O-N 3.46Å
41L88.6Confident91.5Very high1 Ų144.9 Ų44.91%0.00523%0.231CC..G310 helixtrans-65.7-7.6-178.3-69.3172.7000115.5L16 L21 L28 I38 E39 S43 A44 L50 L63 L66L16-L41 HydrophobicContact CD1-CD1 4.4Å; L16-L41 HydrophobicContact CD1-CD2 4.37Å; L16-L41 HydrophobicContact CD1-CG 4.34Å; L16-L41 HydrophobicContact CD2-CD2 3.66Å; L16-L41 HydrophobicContact CD2-CG 3.94Å; L21-L41 HydrophobicContact CD1-CD2 3.84Å; L28-L41 HydrophobicContact CD2-CD2 3.8Å; I38-L41 HydrophobicContact CG2-CD1 3.5Å; I38-L41 VanDerWaalsContact CG2-CD1 3.5Å; E39-L41 VanDerWaalsContact C-N 3.31Å; E39-L41 PolarHBondContact O-N 2.9Å; L41-S43 PolarHBondContact O-N 3.27Å; L41-A44 WeakPolarHBondContact O-CB 3.47Å; L41-A44 PolarHBondContact O-N 2.97Å; L41-L50 HydrophobicContact CD1-CD2 3.75Å; L41-L63 HydrophobicContact CD1-CD2 3.91Å; L41-L66 HydrophobicContact CB-CD1 4.27Å; L41-L66 HydrophobicContact CB-CD2 4.39Å; L41-L66 HydrophobicContact CD1-CD1 3.99Å
42S84.6Confident91.6Very high90 Ų9042 Ų4263%0.62922%0.218SC*.G310 helixtrans-59.2-20.1-173.1-48.50000115.7G40G40-S42 PolarHBondContact O-N 3.46Å
43S83.5Confident91.7Very high45 Ų4540 Ų4032%0.31521%0.205SC..G310 helixtrans-82.2-21.317458.50000113.4L21 P23 L41 W45L21-S43 PolarHBondContact O-OG 3.43Å; P23-S43 WeakPolarHBondContact CA-O 3.45Å; P23-S43 WeakPolarHBondContact CB-O 3.3Å; L41-S43 PolarHBondContact O-N 3.27Å; S43-W45 VanDerWaalsContact C-N 3.31Å; S43-W45 VanDerWaalsContact O-CD1 3.26Å; S43-W45 PolarHBondContact O-N 3.5Å
44A87.6Confident91.8Very high0 Ų041.7 Ų41.70%022%0.216CC..  trans-90.340.2-170.100000113.3L41 H46 L47 L66L41-A44 WeakPolarHBondContact O-CB 3.47Å; L41-A44 PolarHBondContact O-N 2.97Å; A44-H46 PolarHBondContact O-N 2.95Å; A44-H46 VanDerWaalsContact O-N 3.08Å; A44-L47 HydrophobicContact CB-CB 4.34Å; A44-L47 WeakPolarHBondContact O-CB 3.41Å; A44-L47 PolarHBondContact O-N 2.96Å; A44-L66 HydrophobicContact CB-CD2 4.38Å; A44-L66 VanDerWaalsContact O-CD2 3.28Å; A44-L66 WeakPolarHBondContact O-CD2 3.29Å
45W86.3Confident91.9Very high130 Ų13038.6 Ų38.649%0.49220%0.203SC..THydrogen-bonded Turntrans-63.3-16.4-174.558.7-88.8000115.2S43 L47 S68S43-W45 VanDerWaalsContact C-N 3.31Å; S43-W45 VanDerWaalsContact O-CD1 3.26Å; S43-W45 PolarHBondContact O-N 3.5Å; W45-L47 VanDerWaalsContact C-N 3.34Å; W45-S68 VanDerWaalsContact O-CB 3.26Å; W45-S68 WeakPolarHBondContact O-CB 3.46Å; W45-S68 PolarHBondContact O-OG 3.47Å
46H88.9Confident91.9Very high74 Ų7445 Ų4534%0.34323%0.227SC..THydrogen-bonded Turntrans-81.9-3169.9-77.2121.5000114.5P23 T26 A44 H48P23-H46 PolarHBondContact O-ND1 2.82Å; T26-H46 HydrophobicContact CG2-CB 4.47Å; A44-H46 PolarHBondContact O-N 2.95Å; A44-H46 VanDerWaalsContact O-N 3.08Å; H46-H48 PolarHBondContact O-N 3.48Å; H46-H48 PolarHBondContact O-ND1 3.36Å
47L91.9Very high92.1Very high0 Ų042.1 Ų42.10%021%0.208CC..  trans-63.3125.1-173.7-165.469000111.3V25 L28 A44 W45 Y49 L50 L66 S68 L69V25-L47 HydrophobicContact CG1-CD1 3.96Å; L28-L47 HydrophobicContact CB-CD1 3.66Å; L28-L47 HydrophobicContact CB-CD2 4.22Å; L28-L47 HydrophobicContact CD2-CD2 4.49Å; A44-L47 HydrophobicContact CB-CB 4.34Å; A44-L47 WeakPolarHBondContact O-CB 3.41Å; A44-L47 PolarHBondContact O-N 2.96Å; W45-L47 VanDerWaalsContact C-N 3.34Å; L47-Y49 WeakPolarHBondContact CD1-O 3.44Å; L47-Y49 WeakPolarHBondContact CG-O 3.37Å; L47-L50 HydrophobicContact CD2-CB 3.83Å; L47-L50 HydrophobicContact CD2-CD1 4.12Å; L47-L50 HydrophobicContact CD2-CD2 4.14Å; L47-L50 HydrophobicContact CD2-CG 4.26Å; L47-L66 HydrophobicContact CB-CD2 4.41Å; L47-L66 HydrophobicContact CD2-CD1 4.38Å; L47-S68 CarbonylContact O-C 3.59Å; L47-S68 VanDerWaalsContact O-C 3.27Å; L47-L69 HydrophobicContact CD2-CD1 4.27Å; L47-L69 HydrophobicContact CG-CD1 4.13Å; L47-L69 WeakPolarHBondContact O-CA 3.39Å; L47-L69 PolarHBondContact O-N 3.49Å; L47-L69 VanDerWaalsContact O-N 3.16Å
48H93.6Very high92.2Very high67 Ų6739.4 Ų39.431%0.3121%0.208SC..  trans-103.1-33.5178.9-78.354.2000112.1T26 H46 R70 T71T26-H48 WeakPolarHBondContact O-CA 3.42Å; T26-H48 WeakPolarHBondContact O-CB 3.33Å; T26-H48 PolarHBondContact O-N 2.91Å; H46-H48 PolarHBondContact O-N 3.48Å; H46-H48 PolarHBondContact O-ND1 3.36Å; H48-R70 PolarHBondContact CD2-NE 3.18Å; H48-R70 VanDerWaalsContact CD2-NE 3.29Å; H48-R70 WeakPolarHBondContact O-CA 3.49Å; H48-R70 PolarHBondContact O-N 3.3Å; H48-T71 PolarHBondContact O-N 3.33Å
49Y94.6Very high92.2Very high68 Ų6843.1 Ų43.127%0.26722%0.224SC..EExtended strand (participates in β ladder)trans-127.5128.6179.2177.1-84.6000110.1T26 S27 L28 L47 D51 T71T26-Y49 PolarHBondContact O-N 3.22Å; T26-Y49 VanDerWaalsContact O-N 3.17Å; S27-Y49 VanDerWaalsContact OG-CD1 3.28Å; S27-Y49 WeakPolarHBondContact OG-CD1 3.44Å; L28-Y49 PolarHBondContact N-O 2.95Å; L47-Y49 WeakPolarHBondContact CD1-O 3.44Å; L47-Y49 WeakPolarHBondContact CG-O 3.37Å; Y49-D51 HydrophobicContact CE1-CB 3.72Å; Y49-D51 PolarHBondContact OH-OD2 3.44Å; Y49-T71 HydrophobicContact CD2-CG2 3.62Å; Y49-T71 HydrophobicContact CE2-CG2 3.75Å
50L95.5Very high92.4Very high0 Ų040.9 Ų40.90%021%0.214CC..EExtended strand (participates in β ladder)trans-131.5115.3175.4178.452.2000109.8L28 L41 L47 L52 L63 L66 L69 T71 L72 N73L28-L50 HydrophobicContact CB-CD1 4.18Å; L28-L50 HydrophobicContact CD2-CD1 3.91Å; L28-L50 HydrophobicContact CG-CD1 4.08Å; L28-L50 WeakPolarHBondContact O-CA 3.5Å; L41-L50 HydrophobicContact CD1-CD2 3.75Å; L47-L50 HydrophobicContact CD2-CB 3.83Å; L47-L50 HydrophobicContact CD2-CD1 4.12Å; L47-L50 HydrophobicContact CD2-CD2 4.14Å; L47-L50 HydrophobicContact CD2-CG 4.26Å; L50-L52 HydrophobicContact CD1-CD1 3.91Å; L50-L52 HydrophobicContact CD1-CG 3.83Å; L50-L52 HydrophobicContact CD2-CD1 3.84Å; L50-L52 HydrophobicContact CG-CD1 3.86Å; L50-L52 HydrophobicContact CG-CG 4.12Å; L50-L63 HydrophobicContact CD2-CD2 3.79Å; L50-L66 HydrophobicContact CD2-CD1 4.13Å; L50-L69 HydrophobicContact CB-CD1 3.74Å; L50-L69 HydrophobicContact CB-CD2 4.46Å; L50-T71 PolarHBondContact N-O 3.47Å; L50-L72 HydrophobicContact CB-CD1 4.09Å; L50-L72 HydrophobicContact CD2-CD1 3.92Å; L50-L72 HydrophobicContact CG-CD1 3.94Å; L50-L72 WeakPolarHBondContact O-CA 3.34Å; L50-N73 PolarHBondContact O-N 2.95Å
51D96.3Very high92.8Very high9 Ų941.1 Ų41.15%0.04821%0.205CC..EExtended strand (participates in β ladder)trans-108.3120.7169.3-158.3-39.4000110.9L28 N29 L30 Y49 S53 N73L28-D51 PolarHBondContact O-N 3.13Å; N29-D51 HydrophobicContact CB-CB 4.35Å; L30-D51 WeakPolarHBondContact CA-O 3.47Å; L30-D51 WeakPolarHBondContact CB-O 3.41Å; L30-D51 PolarHBondContact N-O 2.86Å; Y49-D51 HydrophobicContact CE1-CB 3.72Å; Y49-D51 PolarHBondContact OH-OD2 3.44Å; D51-S53 VanDerWaalsContact OD1-CB 3.29Å; D51-S53 WeakPolarHBondContact OD1-CB 3.49Å; D51-S53 PolarHBondContact OD1-N 3.08Å; D51-S53 PolarHBondContact OD1-OG 3.46Å; D51-N73 HydrophobicContact CB-CB 4.32Å; D51-N73 VanDerWaalsContact CG-ND2 3.31Å; D51-N73 PolarHBondContact OD1-ND2 2.92Å; D51-N73 PolarHBondContact OD2-ND2 3.47Å
52L96.1Very high92.8Very high0 Ų042.8 Ų42.80%022%0.222CC..  trans-128.520.8176.8-76165.9000110.6L16 L30 I35 I38 L50 N55 I57 N73 L74 N77L16-L52 HydrophobicContact CD1-CD2 3.78Å; L30-L52 HydrophobicContact CB-CD2 3.9Å; L30-L52 HydrophobicContact CD1-CD2 3.79Å; I35-L52 HydrophobicContact CD1-CD2 4.21Å; I38-L52 HydrophobicContact CD1-CD1 4.27Å; I38-L52 HydrophobicContact CG1-CD1 4.07Å; L50-L52 HydrophobicContact CD1-CD1 3.91Å; L50-L52 HydrophobicContact CD1-CG 3.83Å; L50-L52 HydrophobicContact CD2-CD1 3.84Å; L50-L52 HydrophobicContact CG-CD1 3.86Å; L50-L52 HydrophobicContact CG-CG 4.12Å; L52-N55 WeakPolarHBondContact O-CB 3.43Å; L52-N55 PolarHBondContact O-ND2 2.99Å; L52-I57 HydrophobicContact CB-CD1 3.84Å; L52-I57 HydrophobicContact CD1-CD1 4.19Å; L52-I57 HydrophobicContact CD2-CD1 4.29Å; L52-I57 HydrophobicContact CG-CD1 4.35Å; L52-N73 CarbonylContact C-O 3.6Å; L52-N73 PolarHBondContact N-O 3.36Å; L52-L74 HydrophobicContact CB-CD2 3.73Å; L52-L74 HydrophobicContact CD1-CD2 4.12Å; L52-N77 PolarHBondContact O-ND2 3.37Å
53S96.6Very high93.2Very high3 Ų338.5 Ų38.52%0.02119%0.192CC..  trans-69158.8-179.759.20000112.8H31 C32 D51 N55 N73 S75H31-S53 WeakPolarHBondContact CA-O 3.4Å; H31-S53 PolarHBondContact ND1-OG 3.21Å; C32-S53 PolarHBondContact N-O 3.36Å; C32-S53 VanDerWaalsContact N-O 3.14Å; D51-S53 VanDerWaalsContact OD1-CB 3.29Å; D51-S53 WeakPolarHBondContact OD1-CB 3.49Å; D51-S53 PolarHBondContact OD1-N 3.08Å; D51-S53 PolarHBondContact OD1-OG 3.46Å; S53-N55 PolarHBondContact O-N 2.96Å; S53-N55 PolarHBondContact O-ND2 3.14Å; S53-N73 WeakPolarHBondContact CB-ND2 3.49Å; S53-N73 PolarHBondContact N-O 2.86Å; S53-N73 PolarHBondContact OG-ND2 3.2Å; S53-N73 VanDerWaalsContact OG-ND2 3.14Å; S53-S75 CarbonylContact C-O 3.56Å; S53-S75 WeakPolarHBondContact CA-O 3.33Å; S53-S75 VanDerWaalsContact CB-O 3.29Å; S53-S75 WeakPolarHBondContact CB-O 3.28Å; S53-S75 VanDerWaalsContact CB-OG 3.28Å; S53-S75 WeakPolarHBondContact CB-OG 3.4Å
54S96.4Very high93.4Very high37 Ų3740.2 Ų40.226%0.25920%0.204SC..SBendtrans53.651.5-176-61.70000112.6H31 C32 N33 S75 S76H31-S54 PolarHBondContact CE1-OG 3.42Å; C32-S54 VanDerWaalsContact CA-O 3.25Å; C32-S54 WeakPolarHBondContact CA-O 3.38Å; C32-S54 PolarHBondContact N-O 3.1Å; C32-S54 WeakPolarHBondContact SG-CB 3.41Å; N33-S54 PolarHBondContact N-O 3.04Å; S54-S75 PolarHBondContact N-O 2.93Å; S54-S76 WeakPolarHBondContact CA-O 3.4Å; S54-S76 PolarHBondContact N-O 2.78Å
55N96.4Very high93.5Very high11 Ų1142 Ų426%0.05922%0.217CC..SBendtrans-125.6-166.2177.7-88.1-90000110.3L30 N33 H34 I35 L52 S53 I57 S76 N77L30-N55 PolarHBondContact O-ND2 3.23Å; N33-N55 WeakPolarHBondContact CA-OD1 3.38Å; N33-N55 WeakPolarHBondContact CB-OD1 3.41Å; N33-N55 PolarHBondContact O-OD1 2.88Å; H34-N55 PolarHBondContact N-OD1 3.2Å; I35-N55 WeakPolarHBondContact CB-OD1 3.28Å; I35-N55 PolarHBondContact N-OD1 2.93Å; L52-N55 WeakPolarHBondContact O-CB 3.43Å; L52-N55 PolarHBondContact O-ND2 2.99Å; S53-N55 PolarHBondContact O-N 2.96Å; S53-N55 PolarHBondContact O-ND2 3.14Å; N55-I57 HydrophobicContact CB-CD1 4.29Å; N55-I57 HydrophobicContact CB-CG1 4.25Å; N55-S76 PolarHBondContact N-O 3.1Å; N55-N77 WeakPolarHBondContact CA-OD1 3.23Å; N55-N77 VanDerWaalsContact CB-OD1 3.24Å; N55-N77 WeakPolarHBondContact CB-OD1 3.39Å; N55-N77 PolarHBondContact O-OD1 3.36Å
56R95.8Very high93.8Very high134 Ų13435.9 Ų35.951%0.50619%0.194SC..  trans-11522.7-177.4-58.7-176.3-172.8-176.25.6112.4H34 I35 S58 N77 L78H34-R56 PolarHBondContact CD2-NH2 3.34Å; H34-R56 PolarHBondContact NE2-NH2 3.33Å; I35-R56 CarbonylContact O-C 3.58Å; I35-R56 WeakPolarHBondContact O-CA 3.27Å; I35-R56 PolarHBondContact O-N 3.21Å; R56-S58 PolarHBondContact O-N 2.92Å; R56-N77 PolarHBondContact N-OD1 2.91Å; R56-L78 HydrophobicContact CB-CD1 4.48Å
57I96.9Very high93.9Very high0 Ų035.4 Ų35.40%020%0.196CC..  trans-68.9121.4-174.7-58.4166.1000109.2I35 I38 L52 N55 K59 L74 N77 L78 I79I35-I57 WeakPolarHBondContact O-CG1 3.49Å; I35-I57 PolarHBondContact O-N 3.43Å; I38-I57 HydrophobicContact CD1-CD1 4.28Å; I38-I57 HydrophobicContact CD1-CG2 4.08Å; I38-I57 HydrophobicContact CG1-CD1 3.86Å; I38-I57 HydrophobicContact CG1-CG1 4.42Å; I38-I57 HydrophobicContact CG1-CG2 4.08Å; L52-I57 HydrophobicContact CB-CD1 3.84Å; L52-I57 HydrophobicContact CD1-CD1 4.19Å; L52-I57 HydrophobicContact CD2-CD1 4.29Å; L52-I57 HydrophobicContact CG-CD1 4.35Å; N55-I57 HydrophobicContact CB-CD1 4.29Å; N55-I57 HydrophobicContact CB-CG1 4.25Å; I57-K59 WeakPolarHBondContact CG2-O 3.33Å; I57-L74 HydrophobicContact CD1-CD2 3.84Å; I57-N77 HydrophobicContact CB-CB 4.48Å; I57-N77 VanDerWaalsContact CB-OD1 3.27Å; I57-N77 WeakPolarHBondContact CB-OD1 3.24Å; I57-N77 WeakPolarHBondContact CG1-OD1 3.34Å; I57-N77 PolarHBondContact N-OD1 2.84Å; I57-L78 CarbonylContact O-C 3.47Å; I57-L78 WeakPolarHBondContact O-CA 3.35Å; I57-L78 PolarHBondContact O-N 3.49Å; I57-I79 HydrophobicContact CG2-CG1 4.43Å; I57-I79 WeakPolarHBondContact O-CG1 3.34Å; I57-I79 PolarHBondContact O-N 3.36Å
58S94.8Very high93.9Very high69 Ų6936.6 Ų36.648%0.48321%0.205SC..  trans-99-16177.157.90000113.8R56R56-S58 PolarHBondContact O-N 2.92Å
59K95.1Very high93.9Very high80 Ų8033.4 Ų33.435%0.34819%0.19SC..SBendtrans-141.6137-175.8-166-180-170.3-172.80111.9I57 E83I57-K59 WeakPolarHBondContact CG2-O 3.33Å; K59-E83 WeakPolarHBondContact CE-OE1 3.46Å; K59-E83 WeakPolarHBondContact CE-OE2 3.36Å; K59-E83 IonicContact NZ-OE1 3.37Å; K59-E83 IonicContact NZ-OE2 2.7Å; K59-E83 PolarHBondContact NZ-OE2 2.9Å
60I95.6Very high93.9Very high1 Ų134 Ų341%0.00519%0.192CC..  trans-82.7112.3168.9-51.8178.3000108.5L63 L74 I79 V82 E83 L85 L96I60-L63 HydrophobicContact CG2-CD1 3.64Å; I60-L74 HydrophobicContact CD1-CD1 4.26Å; I60-L74 HydrophobicContact CG1-CD1 4.22Å; I60-I79 HydrophobicContact CD1-CD1 4.28Å; I60-I79 HydrophobicContact CD1-CG2 4.28Å; I60-I79 HydrophobicContact CG1-CD1 3.87Å; I60-I79 HydrophobicContact CG1-CG1 4.45Å; I60-I79 HydrophobicContact CG1-CG2 4.08Å; I60-V82 HydrophobicContact CD1-CG1 4.49Å; I60-E83 VanDerWaalsContact CB-O 3.27Å; I60-E83 WeakPolarHBondContact CB-O 3.43Å; I60-E83 VanDerWaalsContact CG2-O 3.23Å; I60-E83 WeakPolarHBondContact CG2-O 3.32Å; I60-L85 HydrophobicContact CD1-CD2 4.49Å; I60-L85 HydrophobicContact CG2-CD2 4.03Å; I60-L96 HydrophobicContact CD1-CD2 3.85Å
61E93.4Very high93.9Very high44 Ų4435 Ų3521%0.20620%0.198CC..  trans-152175.4178.758.8-176.4171.600110.1R37 I38 L63R37-E61 IonicContact CZ-OE1 2.7Å; R37-E61 IonicContact NE-OE1 2.67Å; R37-E61 PolarHBondContact NE-OE1 3.24Å; R37-E61 VanDerWaalsContact NH2-CD 3.27Å; R37-E61 IonicContact NH2-OE1 3.6Å; R37-E61 PolarHBondContact NH2-OE1 3.43Å; R37-E61 IonicContact NH2-OE2 2.73Å; R37-E61 PolarHBondContact NH2-OE2 2.89Å; R37-E61 VanDerWaalsContact NH2-OE2 3.11Å; I38-E61 VanDerWaalsContact CB-O 3.26Å; I38-E61 WeakPolarHBondContact CB-O 3.46Å; I38-E61 WeakPolarHBondContact CG2-O 3.5Å; E61-L63 PolarHBondContact O-N 2.96Å
62G88.9Confident93.9Very high37 Ų3734.6 Ų34.638%0.38120%0.196SC..SBendtrans70.7-7.6174.100000117.4
63L93.1Very high94Very high0 Ų035.8 Ų35.80%020%0.202CC..  trans-82.9-11.7-174.7-62.5175.6000115.4I38 L41 L50 I60 E61 S65 L66 L72 L88I38-L63 HydrophobicContact CD1-CD1 4.45Å; I38-L63 HydrophobicContact CD1-CG 4.47Å; I38-L63 HydrophobicContact CG2-CD2 3.85Å; I38-L63 HydrophobicContact CG2-CG 4.23Å; L41-L63 HydrophobicContact CD1-CD2 3.91Å; L50-L63 HydrophobicContact CD2-CD2 3.79Å; I60-L63 HydrophobicContact CG2-CD1 3.64Å; E61-L63 PolarHBondContact O-N 2.96Å; L63-S65 PolarHBondContact O-N 3.19Å; L63-L66 HydrophobicContact CD2-CD1 3.72Å; L63-L66 WeakPolarHBondContact O-CB 3.34Å; L63-L66 WeakPolarHBondContact O-CG 3.38Å; L63-L66 PolarHBondContact O-N 3.4Å; L63-L72 HydrophobicContact CD1-CD2 3.61Å; L63-L88 HydrophobicContact CB-CD1 4.26Å; L63-L88 HydrophobicContact CB-CD2 4.29Å; L63-L88 HydrophobicContact CD1-CD1 4.17Å; L63-L88 WeakPolarHBondContact O-CD2 3.42Å
64S88.6Confident94Very high81 Ų8135.7 Ų35.757%0.56620%0.201SC*.THydrogen-bonded Turntrans-65.1-11.2-167560000116.3N86S64-N86 WeakPolarHBondContact CA-O 3.31Å; S64-N86 VanDerWaalsContact CB-O 3.28Å; S64-N86 WeakPolarHBondContact CB-O 3.36Å
65S88.4Confident94.1Very high38 Ų3834.6 Ų34.627%0.26619%0.193SC..THydrogen-bonded Turntrans-87.1-13.4173.753.40000113.7L63 T67L63-S65 PolarHBondContact O-N 3.19Å; S65-T67 VanDerWaalsContact C-N 3.26Å; S65-T67 PolarHBondContact O-N 2.91Å
66L92.3Very high94Very high0 Ų036.2 Ų36.20%021%0.206CC..  trans-8954-170.3-53.7179.3000111.9L41 A44 L47 L50 L63 S68 L69 L88L41-L66 HydrophobicContact CB-CD1 4.27Å; L41-L66 HydrophobicContact CB-CD2 4.39Å; L41-L66 HydrophobicContact CD1-CD1 3.99Å; A44-L66 HydrophobicContact CB-CD2 4.38Å; A44-L66 VanDerWaalsContact O-CD2 3.28Å; A44-L66 WeakPolarHBondContact O-CD2 3.29Å; L47-L66 HydrophobicContact CB-CD2 4.41Å; L47-L66 HydrophobicContact CD2-CD1 4.38Å; L50-L66 HydrophobicContact CD2-CD1 4.13Å; L63-L66 HydrophobicContact CD2-CD1 3.72Å; L63-L66 WeakPolarHBondContact O-CB 3.34Å; L63-L66 WeakPolarHBondContact O-CG 3.38Å; L63-L66 PolarHBondContact O-N 3.4Å; L66-S68 PolarHBondContact O-N 3.03Å; L66-S68 VanDerWaalsContact O-N 3.1Å; L66-L69 HydrophobicContact CB-CB 4.12Å; L66-L69 HydrophobicContact CD1-CD2 4.43Å; L66-L69 WeakPolarHBondContact O-CB 3.48Å; L66-L69 PolarHBondContact O-N 3.48Å; L66-L88 HydrophobicContact CB-CD2 4.01Å; L66-L88 WeakPolarHBondContact O-CD2 3.42Å
67T90.9Very high94.1Very high65 Ų6530.2 Ų30.240%0.39918%0.184SC..THydrogen-bonded Turntrans-61.9-19.7-176.857.50000113.8S65 N90S65-T67 VanDerWaalsContact C-N 3.26Å; S65-T67 PolarHBondContact O-N 2.91Å; T67-N90 PolarHBondContact O-ND2 2.94Å
68S91.8Very high94.1Very high25 Ų2534.1 Ų34.118%0.17520%0.204CC..THydrogen-bonded Turntrans-81.5-11.7174.9-560000114.6W45 L47 L66 R70W45-S68 VanDerWaalsContact O-CB 3.26Å; W45-S68 WeakPolarHBondContact O-CB 3.46Å; W45-S68 PolarHBondContact O-OG 3.47Å; L47-S68 CarbonylContact O-C 3.59Å; L47-S68 VanDerWaalsContact O-C 3.27Å; L66-S68 PolarHBondContact O-N 3.03Å; L66-S68 VanDerWaalsContact O-N 3.1Å; S68-R70 PolarHBondContact O-N 2.94Å
69L94.3Very high94.2Very high0 Ų030.8 Ų30.80%018%0.181CC..  trans-65.7126.2-168.1-166.268.9000111.2L47 L50 L66 L72 L88 N90 L91L47-L69 HydrophobicContact CD2-CD1 4.27Å; L47-L69 HydrophobicContact CG-CD1 4.13Å; L47-L69 WeakPolarHBondContact O-CA 3.39Å; L47-L69 PolarHBondContact O-N 3.49Å; L47-L69 VanDerWaalsContact O-N 3.16Å; L50-L69 HydrophobicContact CB-CD1 3.74Å; L50-L69 HydrophobicContact CB-CD2 4.46Å; L66-L69 HydrophobicContact CB-CB 4.12Å; L66-L69 HydrophobicContact CD1-CD2 4.43Å; L66-L69 WeakPolarHBondContact O-CB 3.48Å; L66-L69 PolarHBondContact O-N 3.48Å; L69-L72 HydrophobicContact CD2-CB 4.02Å; L69-L72 HydrophobicContact CD2-CD1 4.33Å; L69-L72 HydrophobicContact CD2-CD2 4.37Å; L69-L72 HydrophobicContact CD2-CG 4.48Å; L69-L88 HydrophobicContact CB-CD2 4.24Å; L69-L88 HydrophobicContact CD2-CD2 4.08Å; L69-N90 CarbonylContact O-C 3.59Å; L69-L91 HydrophobicContact CD2-CD1 4.35Å; L69-L91 HydrophobicContact CG-CD1 4.3Å; L69-L91 WeakPolarHBondContact O-CA 3.48Å; L69-L91 PolarHBondContact O-N 3.32Å
70R94.6Very high94.2Very high80 Ų8030.7 Ų30.730%0.30219%0.187SC..  trans-106.9-33.2179.4-57.8-168.7-172.1-154.61.7112.4H48 S68 K92 K93 D200H48-R70 PolarHBondContact CD2-NE 3.18Å; H48-R70 VanDerWaalsContact CD2-NE 3.29Å; H48-R70 WeakPolarHBondContact O-CA 3.49Å; H48-R70 PolarHBondContact O-N 3.3Å; S68-R70 PolarHBondContact O-N 2.94Å; R70-K92 WeakPolarHBondContact O-CA 3.43Å; R70-K92 PolarHBondContact O-N 3.19Å; R70-K93 PolarHBondContact O-N 3.43Å; R70-D200 IonicContact CZ-OD2 3.74Å; R70-D200 IonicContact NH1-OD1 2.75Å; R70-D200 IonicContact NH1-OD2 2.77Å; R70-D200 PolarHBondContact NH1-OD2 2.95Å
71T95.8Very high94.2Very high21 Ų2134 Ų3413%0.12920%0.201CC..EExtended strand (participates in β ladder)trans-131.4126.2-179.6-59.20000110.3H48 Y49 L50 K93H48-T71 PolarHBondContact O-N 3.33Å; Y49-T71 HydrophobicContact CD2-CG2 3.62Å; Y49-T71 HydrophobicContact CE2-CG2 3.75Å; L50-T71 PolarHBondContact N-O 3.47Å; T71-K93 WeakPolarHBondContact CA-O 3.33Å; T71-K93 HydrophobicContact CG2-CB 4.14Å; T71-K93 HydrophobicContact CG2-CD 4.49Å
72L97.1Very high94.4Very high1 Ų131.9 Ų31.91%0.00519%0.192CC..EExtended strand (participates in β ladder)trans-125.8117.9174.9178.156000109.8L50 L63 L69 L74 L85 L88 L91 K93 L94 N95L50-L72 HydrophobicContact CB-CD1 4.09Å; L50-L72 HydrophobicContact CD2-CD1 3.92Å; L50-L72 HydrophobicContact CG-CD1 3.94Å; L50-L72 WeakPolarHBondContact O-CA 3.34Å; L63-L72 HydrophobicContact CD1-CD2 3.61Å; L69-L72 HydrophobicContact CD2-CB 4.02Å; L69-L72 HydrophobicContact CD2-CD1 4.33Å; L69-L72 HydrophobicContact CD2-CD2 4.37Å; L69-L72 HydrophobicContact CD2-CG 4.48Å; L72-L74 HydrophobicContact CD1-CD1 4.05Å; L72-L74 HydrophobicContact CD1-CG 3.96Å; L72-L74 HydrophobicContact CD2-CD1 3.83Å; L72-L74 HydrophobicContact CG-CD1 3.89Å; L72-L74 HydrophobicContact CG-CG 4.11Å; L72-L85 HydrophobicContact CD2-CD2 4.36Å; L72-L88 HydrophobicContact CD2-CD1 4.21Å; L72-L91 HydrophobicContact CB-CD1 3.75Å; L72-K93 PolarHBondContact N-O 3Å; L72-L94 HydrophobicContact CB-CD1 4.07Å; L72-L94 HydrophobicContact CD2-CD1 3.9Å; L72-L94 HydrophobicContact CG-CD1 3.98Å; L72-N95 PolarHBondContact O-N 3.32Å
73N97.3Very high94.6Very high25 Ų2533.1 Ų33.113%0.13419%0.187CC..EExtended strand (participates in β ladder)trans-109.6118.9173.2-173.217.2000110.5L50 D51 L52 S53 S75 N95L50-N73 PolarHBondContact O-N 2.95Å; D51-N73 HydrophobicContact CB-CB 4.32Å; D51-N73 VanDerWaalsContact CG-ND2 3.31Å; D51-N73 PolarHBondContact OD1-ND2 2.92Å; D51-N73 PolarHBondContact OD2-ND2 3.47Å; L52-N73 CarbonylContact C-O 3.6Å; L52-N73 PolarHBondContact N-O 3.36Å; S53-N73 WeakPolarHBondContact CB-ND2 3.49Å; S53-N73 PolarHBondContact N-O 2.86Å; S53-N73 PolarHBondContact OG-ND2 3.2Å; S53-N73 VanDerWaalsContact OG-ND2 3.14Å; N73-S75 PolarHBondContact OD1-N 3.47Å; N73-S75 PolarHBondContact OD1-OG 3.48Å; N73-N95 WeakPolarHBondContact OD1-CB 3.36Å; N73-N95 PolarHBondContact OD1-ND2 2.92Å; N73-N95 VanDerWaalsContact OD1-ND2 3.17Å
74L97.3Very high94.4Very high0 Ų034.2 Ų34.20%020%0.199CC..  trans-129.120.2179.6-76.5167.2000111.2I38 L52 I57 I60 L72 N77 I79 N95 L96 N99I38-L74 HydrophobicContact CD1-CD2 4.04Å; L52-L74 HydrophobicContact CB-CD2 3.73Å; L52-L74 HydrophobicContact CD1-CD2 4.12Å; I57-L74 HydrophobicContact CD1-CD2 3.84Å; I60-L74 HydrophobicContact CD1-CD1 4.26Å; I60-L74 HydrophobicContact CG1-CD1 4.22Å; L72-L74 HydrophobicContact CD1-CD1 4.05Å; L72-L74 HydrophobicContact CD1-CG 3.96Å; L72-L74 HydrophobicContact CD2-CD1 3.83Å; L72-L74 HydrophobicContact CG-CD1 3.89Å; L72-L74 HydrophobicContact CG-CG 4.11Å; L74-N77 PolarHBondContact O-ND2 3.21Å; L74-I79 HydrophobicContact CB-CD1 4.04Å; L74-I79 HydrophobicContact CD1-CD1 4.3Å; L74-I79 HydrophobicContact CD2-CD1 4.5Å; L74-N95 WeakPolarHBondContact CA-O 3.42Å; L74-N95 PolarHBondContact N-O 2.79Å; L74-L96 HydrophobicContact CB-CD2 3.85Å; L74-L96 HydrophobicContact CD1-CD2 4.09Å; L74-N99 PolarHBondContact O-ND2 2.91Å
75S96.8Very high94.6Very high14 Ų1430.3 Ų30.310%0.09817%0.172CC..  trans-64.7161.8179.865.60000113S53 S54 N73 N77 S97S53-S75 CarbonylContact C-O 3.56Å; S53-S75 WeakPolarHBondContact CA-O 3.33Å; S53-S75 VanDerWaalsContact CB-O 3.29Å; S53-S75 WeakPolarHBondContact CB-O 3.28Å; S53-S75 VanDerWaalsContact CB-OG 3.28Å; S53-S75 WeakPolarHBondContact CB-OG 3.4Å; S54-S75 PolarHBondContact N-O 2.93Å; N73-S75 PolarHBondContact OD1-N 3.47Å; N73-S75 PolarHBondContact OD1-OG 3.48Å; S75-N77 PolarHBondContact O-N 2.96Å; S75-N77 PolarHBondContact O-ND2 2.97Å; S75-S97 CarbonylContact C-O 3.6Å; S75-S97 WeakPolarHBondContact CA-O 3.4Å; S75-S97 VanDerWaalsContact CB-O 3.29Å; S75-S97 WeakPolarHBondContact CB-O 3.31Å; S75-S97 WeakPolarHBondContact CB-OG 3.31Å
76S96.3Very high94.5Very high46 Ų4631.8 Ų31.832%0.32218%0.176SC..SBendtrans54.352.5178.1-59.40000112.6S54 N55 S97 Y98S54-S76 WeakPolarHBondContact CA-O 3.4Å; S54-S76 PolarHBondContact N-O 2.78Å; N55-S76 PolarHBondContact N-O 3.1Å; S76-S97 PolarHBondContact N-O 2.95Å; S76-Y98 WeakPolarHBondContact CA-O 3.29Å; S76-Y98 PolarHBondContact N-O 2.96Å
77N97.7Very high94.1Very high7 Ų732.9 Ų32.94%0.03719%0.188CC..SBendtrans-130.1-168.8179.6-89.1-83.8000110.2L52 N55 R56 I57 L74 S75 I79 Y98 N99L52-N77 PolarHBondContact O-ND2 3.37Å; N55-N77 WeakPolarHBondContact CA-OD1 3.23Å; N55-N77 VanDerWaalsContact CB-OD1 3.24Å; N55-N77 WeakPolarHBondContact CB-OD1 3.39Å; N55-N77 PolarHBondContact O-OD1 3.36Å; R56-N77 PolarHBondContact N-OD1 2.91Å; I57-N77 HydrophobicContact CB-CB 4.48Å; I57-N77 VanDerWaalsContact CB-OD1 3.27Å; I57-N77 WeakPolarHBondContact CB-OD1 3.24Å; I57-N77 WeakPolarHBondContact CG1-OD1 3.34Å; I57-N77 PolarHBondContact N-OD1 2.84Å; L74-N77 PolarHBondContact O-ND2 3.21Å; S75-N77 PolarHBondContact O-N 2.96Å; S75-N77 PolarHBondContact O-ND2 2.97Å; N77-I79 HydrophobicContact CB-CD1 4.37Å; N77-I79 HydrophobicContact CB-CG1 4.3Å; N77-Y98 PolarHBondContact N-O 3.24Å; N77-N99 WeakPolarHBondContact CA-OD1 3.41Å; N77-N99 WeakPolarHBondContact CB-OD1 3.22Å; N77-N99 PolarHBondContact O-OD1 3.37Å
78L96.5Very high94.2Very high82 Ų8229.8 Ų29.843%0.42917%0.169SC..  trans-112.522.2-175.2-60.3177000112.7R56 I57 N99R56-L78 HydrophobicContact CB-CD1 4.48Å; I57-L78 CarbonylContact O-C 3.47Å; I57-L78 WeakPolarHBondContact O-CA 3.35Å; I57-L78 PolarHBondContact O-N 3.49Å; L78-N99 PolarHBondContact N-OD1 2.91Å
79I97.3Very high94.2Very high0 Ų030.9 Ų30.90%017%0.174CC..  trans-70.5130-175.4-55.4166.1000109.7I57 I60 L74 N77 K81 L96 N99 K100 I101I57-I79 HydrophobicContact CG2-CG1 4.43Å; I57-I79 WeakPolarHBondContact O-CG1 3.34Å; I57-I79 PolarHBondContact O-N 3.36Å; I60-I79 HydrophobicContact CD1-CD1 4.28Å; I60-I79 HydrophobicContact CD1-CG2 4.28Å; I60-I79 HydrophobicContact CG1-CD1 3.87Å; I60-I79 HydrophobicContact CG1-CG1 4.45Å; I60-I79 HydrophobicContact CG1-CG2 4.08Å; L74-I79 HydrophobicContact CB-CD1 4.04Å; L74-I79 HydrophobicContact CD1-CD1 4.3Å; L74-I79 HydrophobicContact CD2-CD1 4.5Å; N77-I79 HydrophobicContact CB-CD1 4.37Å; N77-I79 HydrophobicContact CB-CG1 4.3Å; I79-K81 VanDerWaalsContact CG2-O 3.25Å; I79-K81 WeakPolarHBondContact CG2-O 3.47Å; I79-L96 HydrophobicContact CD1-CD2 3.96Å; I79-N99 HydrophobicContact CB-CB 4.44Å; I79-N99 VanDerWaalsContact CB-OD1 3.26Å; I79-N99 WeakPolarHBondContact CB-OD1 3.26Å; I79-N99 WeakPolarHBondContact CG1-OD1 3.31Å; I79-N99 PolarHBondContact N-OD1 3.44Å; I79-K100 CarbonylContact O-C 3.27Å; I79-K100 VanDerWaalsContact O-C 3.25Å; I79-K100 WeakPolarHBondContact O-CA 3.19Å; I79-K100 PolarHBondContact O-N 3.37Å; I79-I101 HydrophobicContact CB-CG1 4.33Å; I79-I101 HydrophobicContact CG2-CD1 4.25Å; I79-I101 HydrophobicContact CG2-CG1 4.07Å; I79-I101 WeakPolarHBondContact O-CG1 3.5Å; I79-I101 PolarHBondContact O-N 3.42Å
80T95.2Very high94.1Very high77 Ų7733.2 Ų33.247%0.47219%0.187SC..  trans-106.3-18.2178.954.20000114.1K100 I101 N102T80-K100 WeakPolarHBondContact CA-O 3.39Å; T80-K100 HydrophobicContact CG2-CB 4.13Å; T80-I101 WeakPolarHBondContact O-CA 3.44Å; T80-N102 PolarHBondContact O-N 2.87Å; T80-N102 PolarHBondContact O-OD1 2.83Å
81K95.4Very high94.1Very high71 Ų7129.5 Ų29.531%0.30917%0.173SC..BIsolated β-bridgetrans-145.2140.8-179.6177.1164.6-174.4169.90111.1I79 N103 T105I79-K81 VanDerWaalsContact CG2-O 3.25Å; I79-K81 WeakPolarHBondContact CG2-O 3.47Å; K81-N103 WeakPolarHBondContact CA-O 3.42Å; K81-N103 HydrophobicContact CB-CB 4.43Å; K81-N103 HydrophobicContact CD-CB 4.22Å; K81-N103 HydrophobicContact CG-CB 4.09Å; K81-T105 WeakPolarHBondContact CE-OG1 3.49Å; K81-T105 PolarHBondContact NZ-OG1 3.16Å; K81-T105 VanDerWaalsContact NZ-OG1 3.07Å
82V95.9Very high94Very high0 Ų029.4 Ų29.40%017%0.17CC..  trans-77.9123.6166.8-171.10000109I60 L85 L96 I101 N103 I104 G106 L107I60-V82 HydrophobicContact CD1-CG1 4.49Å; V82-L85 HydrophobicContact CG1-CD1 3.54Å; V82-L85 HydrophobicContact CG1-CG 4.25Å; V82-L96 HydrophobicContact CG2-CD1 3.99Å; V82-I101 HydrophobicContact CG2-CD1 4.18Å; V82-I101 HydrophobicContact CG2-CG2 4Å; V82-N103 PolarHBondContact N-O 3.31Å; V82-I104 HydrophobicContact CG2-CB 4.14Å; V82-I104 HydrophobicContact CG2-CG2 3.93Å; V82-G106 WeakPolarHBondContact O-CA 3.22Å; V82-G106 PolarHBondContact O-N 2.85Å; V82-L107 HydrophobicContact CG1-CD2 4.11Å; V82-L107 HydrophobicContact CG1-CG 4.26Å
83E94.3Very high93.9Very high62 Ų6231.4 Ų31.429%0.2918%0.179SC..  trans-156.4-176.6173.160.7-178.2119.600108.8K59 I60 L85K59-E83 WeakPolarHBondContact CE-OE1 3.46Å; K59-E83 WeakPolarHBondContact CE-OE2 3.36Å; K59-E83 IonicContact NZ-OE1 3.37Å; K59-E83 IonicContact NZ-OE2 2.7Å; K59-E83 PolarHBondContact NZ-OE2 2.9Å; I60-E83 VanDerWaalsContact CB-O 3.27Å; I60-E83 WeakPolarHBondContact CB-O 3.43Å; I60-E83 VanDerWaalsContact CG2-O 3.23Å; I60-E83 WeakPolarHBondContact CG2-O 3.32Å; E83-L85 PolarHBondContact O-N 2.96Å
84G89.7Confident93.9Very high23 Ų2330.4 Ų30.424%0.23717%0.174CC..  trans69.32.9168.300000117.7N86G84-N86 PolarHBondContact O-N 2.99Å
85L92.8Very high93.9Very high0 Ų032.2 Ų32.20%018%0.184CC..  trans-78-2.7178.8-57.2178000113.8I60 L72 V82 E83 G87 L88 L94 L107 L110I60-L85 HydrophobicContact CD1-CD2 4.49Å; I60-L85 HydrophobicContact CG2-CD2 4.03Å; L72-L85 HydrophobicContact CD2-CD2 4.36Å; V82-L85 HydrophobicContact CG1-CD1 3.54Å; V82-L85 HydrophobicContact CG1-CG 4.25Å; E83-L85 PolarHBondContact O-N 2.96Å; L85-G87 PolarHBondContact O-N 3.08Å; L85-L88 HydrophobicContact CB-CD1 4.31Å; L85-L88 HydrophobicContact CD2-CD1 3.87Å; L85-L88 WeakPolarHBondContact O-CB 3.42Å; L85-L88 WeakPolarHBondContact O-CG 3.5Å; L85-L88 PolarHBondContact O-N 3.46Å; L85-L88 VanDerWaalsContact O-N 3.12Å; L85-L94 HydrophobicContact CD1-CD2 3.82Å; L85-L94 HydrophobicContact CD2-CD2 4.48Å; L85-L107 HydrophobicContact CD1-CD2 4.06Å; L85-L110 HydrophobicContact CB-CD1 4.3Å; L85-L110 HydrophobicContact CB-CD2 4.22Å; L85-L110 HydrophobicContact CB-CG 4.3Å; L85-L110 HydrophobicContact CD1-CD1 3.85Å; L85-L110 HydrophobicContact CD1-CG 4.49Å
86N85.2Confident93.9Very high68 Ų6831.6 Ų31.636%0.36418%0.179SC..THydrogen-bonded Turntrans-58.9119.2-175.5-52.739.1000110.8S64 G84 Y109S64-N86 WeakPolarHBondContact CA-O 3.31Å; S64-N86 VanDerWaalsContact CB-O 3.28Å; S64-N86 WeakPolarHBondContact CB-O 3.36Å; G84-N86 PolarHBondContact O-N 2.99Å; N86-Y109 WeakPolarHBondContact ND2-CD1 3.38Å; N86-Y109 WeakPolarHBondContact OD1-CD2 3.34Å
87G84.3Confident93.9Very high23 Ų2329.5 Ų29.524%0.23717%0.165CC..THydrogen-bonded Turntrans102.8-9.7-178.100000115.2L85 V89L85-G87 PolarHBondContact O-N 3.08Å; G87-V89 PolarHBondContact O-N 2.86Å
88L92.9Very high93.8Very high1 Ų134 Ų341%0.00518%0.182CC..  trans-7950.5178.7-59.4-178.9000113.1L63 L66 L69 L72 L85 N90 L91L63-L88 HydrophobicContact CB-CD1 4.26Å; L63-L88 HydrophobicContact CB-CD2 4.29Å; L63-L88 HydrophobicContact CD1-CD1 4.17Å; L63-L88 WeakPolarHBondContact O-CD2 3.42Å; L66-L88 HydrophobicContact CB-CD2 4.01Å; L66-L88 WeakPolarHBondContact O-CD2 3.42Å; L69-L88 HydrophobicContact CB-CD2 4.24Å; L69-L88 HydrophobicContact CD2-CD2 4.08Å; L72-L88 HydrophobicContact CD2-CD1 4.21Å; L85-L88 HydrophobicContact CB-CD1 4.31Å; L85-L88 HydrophobicContact CD2-CD1 3.87Å; L85-L88 WeakPolarHBondContact O-CB 3.42Å; L85-L88 WeakPolarHBondContact O-CG 3.5Å; L85-L88 PolarHBondContact O-N 3.46Å; L85-L88 VanDerWaalsContact O-N 3.12Å; L88-N90 VanDerWaalsContact C-N 3.29Å; L88-N90 PolarHBondContact O-N 3.29Å; L88-L91 HydrophobicContact CB-CB 4.12Å; L88-L91 HydrophobicContact CB-CD2 4.37Å; L88-L91 HydrophobicContact CD1-CD2 4.22Å; L88-L91 VanDerWaalsContact O-CB 3.23Å; L88-L91 WeakPolarHBondContact O-CB 3.28Å; L88-L91 PolarHBondContact O-N 2.9Å; L88-L91 VanDerWaalsContact O-N 3.1Å
89V91.1Very high93.8Very high48 Ų4830.6 Ų30.629%0.29116%0.164SC..THydrogen-bonded Turntrans-59-32.4-172.2-650000114.3G87 Y115 K116G87-V89 PolarHBondContact O-N 2.86Å; V89-Y115 HydrophobicContact CB-CD1 4.48Å; V89-Y115 HydrophobicContact CG1-CD1 4.22Å; V89-Y115 HydrophobicContact CG1-CE1 3.79Å; V89-K116 PolarHBondContact O-N 3.33Å
90N92.8Very high93.7Very high48 Ų4836.2 Ų36.226%0.25719%0.189SC..THydrogen-bonded Turntrans-90.74.1-180-70.8-67.3000114.6T67 L69 L88 K92 K116T67-N90 PolarHBondContact O-ND2 2.94Å; L69-N90 CarbonylContact O-C 3.59Å; L88-N90 VanDerWaalsContact C-N 3.29Å; L88-N90 PolarHBondContact O-N 3.29Å; N90-K92 PolarHBondContact O-N 2.96Å; N90-K116 PolarHBondContact OD1-NZ 2.85Å
91L94.7Very high93.7Very high2 Ų232.6 Ų32.61%0.0117%0.166CC..  trans-65.1116.2-176.5-171.469000110.3L69 L72 L88 K93 L94 K116 L117L69-L91 HydrophobicContact CD2-CD1 4.35Å; L69-L91 HydrophobicContact CG-CD1 4.3Å; L69-L91 WeakPolarHBondContact O-CA 3.48Å; L69-L91 PolarHBondContact O-N 3.32Å; L72-L91 HydrophobicContact CB-CD1 3.75Å; L88-L91 HydrophobicContact CB-CB 4.12Å; L88-L91 HydrophobicContact CB-CD2 4.37Å; L88-L91 HydrophobicContact CD1-CD2 4.22Å; L88-L91 VanDerWaalsContact O-CB 3.23Å; L88-L91 WeakPolarHBondContact O-CB 3.28Å; L88-L91 PolarHBondContact O-N 2.9Å; L88-L91 VanDerWaalsContact O-N 3.1Å; L91-K93 WeakPolarHBondContact CD1-O 3.44Å; L91-L94 HydrophobicContact CD2-CB 4.15Å; L91-L94 HydrophobicContact CD2-CD1 4.46Å; L91-L94 HydrophobicContact CD2-CD2 4.33Å; L91-K116 CarbonylContact O-C 3.57Å; L91-L117 HydrophobicContact CD2-CD1 4.39Å; L91-L117 HydrophobicContact CG-CD1 4.3Å; L91-L117 WeakPolarHBondContact O-CA 3.29Å; L91-L117 PolarHBondContact O-N 2.84Å
92K94Very high93.6Very high19 Ų1933.3 Ų33.38%0.08317%0.173CC..  trans-98.9-32.3178.5-67.6-170.6175.6-174.20112.8R70 N90 K116 K118 H119 D199 D200R70-K92 WeakPolarHBondContact O-CA 3.43Å; R70-K92 PolarHBondContact O-N 3.19Å; N90-K92 PolarHBondContact O-N 2.96Å; K92-K116 WeakPolarHBondContact CA-O 3.13Å; K92-K116 HydrophobicContact CG-CB 4.26Å; K92-K118 PolarHBondContact O-N 3.16Å; K92-H119 PolarHBondContact O-N 2.87Å; K92-D199 WeakPolarHBondContact CD-OD2 3.46Å; K92-D199 WeakPolarHBondContact CE-OD2 3.4Å; K92-D199 IonicContact NZ-OD2 3.58Å; K92-D199 PolarHBondContact NZ-OD2 3.38Å; K92-D200 IonicContact NZ-OD1 2.67Å; K92-D200 PolarHBondContact NZ-OD1 3.31Å
93K95.3Very high93.5Very high44 Ų4435.5 Ų35.519%0.19119%0.185CC..EExtended strand (participates in β ladder)trans-131.7125.6-176.9-57.6177.7-167.8171.90110.6R70 T71 L72 L91 H119 S192 D194R70-K93 PolarHBondContact O-N 3.43Å; T71-K93 WeakPolarHBondContact CA-O 3.33Å; T71-K93 HydrophobicContact CG2-CB 4.14Å; T71-K93 HydrophobicContact CG2-CD 4.49Å; L72-K93 PolarHBondContact N-O 3Å; L91-K93 WeakPolarHBondContact CD1-O 3.44Å; K93-H119 HydrophobicContact CG-CB 4.27Å; K93-S192 PolarHBondContact NZ-OG 3.34Å; K93-D194 IonicContact NZ-OD1 3.19Å; K93-D194 PolarHBondContact NZ-OD1 3.48Å; K93-D194 IonicContact NZ-OD2 3.64Å; K93-D194 PolarHBondContact NZ-OD2 2.79Å
94L96.9Very high93.6Very high3 Ų332.5 Ų32.52%0.01617%0.171CC..EExtended strand (participates in β ladder)trans-127.2117.9175.3178.455.2000110.2L72 L85 L91 L96 L107 L117 H119 L120 S121L72-L94 HydrophobicContact CB-CD1 4.07Å; L72-L94 HydrophobicContact CD2-CD1 3.9Å; L72-L94 HydrophobicContact CG-CD1 3.98Å; L85-L94 HydrophobicContact CD1-CD2 3.82Å; L85-L94 HydrophobicContact CD2-CD2 4.48Å; L91-L94 HydrophobicContact CD2-CB 4.15Å; L91-L94 HydrophobicContact CD2-CD1 4.46Å; L91-L94 HydrophobicContact CD2-CD2 4.33Å; L94-L96 HydrophobicContact CD1-CD1 4.16Å; L94-L96 HydrophobicContact CD1-CG 4Å; L94-L96 HydrophobicContact CD2-CD1 3.84Å; L94-L96 HydrophobicContact CG-CD1 3.9Å; L94-L96 HydrophobicContact CG-CG 4.08Å; L94-L107 HydrophobicContact CD2-CD2 4.3Å; L94-L117 HydrophobicContact CB-CD1 3.79Å; L94-H119 PolarHBondContact N-O 3.01Å; L94-L120 HydrophobicContact CB-CD1 4.15Å; L94-L120 HydrophobicContact CD2-CD1 3.99Å; L94-L120 HydrophobicContact CG-CD1 4.05Å; L94-L120 WeakPolarHBondContact O-CA 3.28Å; L94-S121 PolarHBondContact O-N 3.37Å
95N96.8Very high93.8Very high39 Ų3933.4 Ų33.421%0.20917%0.172CC..EExtended strand (participates in β ladder)trans-110124.6171.9-172.610.3000111L72 N73 L74 S97 S121L72-N95 PolarHBondContact O-N 3.32Å; N73-N95 WeakPolarHBondContact OD1-CB 3.36Å; N73-N95 PolarHBondContact OD1-ND2 2.92Å; N73-N95 VanDerWaalsContact OD1-ND2 3.17Å; L74-N95 WeakPolarHBondContact CA-O 3.42Å; L74-N95 PolarHBondContact N-O 2.79Å; N95-S97 WeakPolarHBondContact OD1-CB 3.34Å; N95-S97 PolarHBondContact OD1-N 3.47Å; N95-S97 PolarHBondContact OD1-OG 3.4Å; N95-S97 VanDerWaalsContact OD1-OG 3.09Å; N95-S121 VanDerWaalsContact OD1-CB 3.31Å; N95-S121 WeakPolarHBondContact OD1-CB 3.38Å
96L96.6Very high93.6Very high0 Ų033.4 Ų33.40%017%0.172CC..  trans-131.818.2-178.9-74.4167.4000111.3I60 L74 I79 V82 L94 N99 I101 S121 L122 N125I60-L96 HydrophobicContact CD1-CD2 3.85Å; L74-L96 HydrophobicContact CB-CD2 3.85Å; L74-L96 HydrophobicContact CD1-CD2 4.09Å; I79-L96 HydrophobicContact CD1-CD2 3.96Å; V82-L96 HydrophobicContact CG2-CD1 3.99Å; L94-L96 HydrophobicContact CD1-CD1 4.16Å; L94-L96 HydrophobicContact CD1-CG 4Å; L94-L96 HydrophobicContact CD2-CD1 3.84Å; L94-L96 HydrophobicContact CG-CD1 3.9Å; L94-L96 HydrophobicContact CG-CG 4.08Å; L96-N99 PolarHBondContact O-ND2 2.89Å; L96-I101 HydrophobicContact CB-CD1 3.87Å; L96-I101 HydrophobicContact CD1-CD1 4.28Å; L96-I101 HydrophobicContact CD2-CD1 4.2Å; L96-I101 HydrophobicContact CG-CD1 4.36Å; L96-S121 WeakPolarHBondContact CA-O 3.33Å; L96-S121 PolarHBondContact N-O 3.28Å; L96-L122 HydrophobicContact CB-CD2 3.85Å; L96-L122 HydrophobicContact CD1-CD2 4.14Å; L96-N125 PolarHBondContact O-ND2 3.14Å
97S95.7Very high94Very high3 Ų330.2 Ų30.22%0.02116%0.155CC..  trans-68.1163.9-177.567.80000114S75 S76 N95 N99 S121 H123S75-S97 CarbonylContact C-O 3.6Å; S75-S97 WeakPolarHBondContact CA-O 3.4Å; S75-S97 VanDerWaalsContact CB-O 3.29Å; S75-S97 WeakPolarHBondContact CB-O 3.31Å; S75-S97 WeakPolarHBondContact CB-OG 3.31Å; S76-S97 PolarHBondContact N-O 2.95Å; N95-S97 WeakPolarHBondContact OD1-CB 3.34Å; N95-S97 PolarHBondContact OD1-N 3.47Å; N95-S97 PolarHBondContact OD1-OG 3.4Å; N95-S97 VanDerWaalsContact OD1-OG 3.09Å; S97-N99 VanDerWaalsContact C-N 3.32Å; S97-N99 PolarHBondContact O-N 2.97Å; S97-N99 PolarHBondContact O-ND2 2.85Å; S97-S121 PolarHBondContact N-O 2.9Å; S97-H123 CarbonylContact C-O 3.58Å; S97-H123 WeakPolarHBondContact CA-O 3.26Å; S97-H123 WeakPolarHBondContact CB-CD2 3.46Å; S97-H123 WeakPolarHBondContact CB-NE2 3.42Å; S97-H123 WeakPolarHBondContact CB-O 3.44Å; S97-H123 PolarHBondContact OG-NE2 3.02Å
98Y95.4Very high94.4Very high101 Ų10132.3 Ų32.340%0.39616%0.16SC..SBendtrans5149.9-178-57.7-78.9000112.7S76 N77 H123 A124S76-Y98 WeakPolarHBondContact CA-O 3.29Å; S76-Y98 PolarHBondContact N-O 2.96Å; N77-Y98 PolarHBondContact N-O 3.24Å; Y98-H123 AromaticContact CE2-CE1 3.42Å; Y98-H123 VanDerWaalsContact CE2-CE1 3.42Å; Y98-H123 WeakPolarHBondContact CE2-CE1 3.38Å; Y98-H123 AromaticContact CZ-CE1 3.75Å; Y98-H123 PolarHBondContact N-O 3.25Å; Y98-A124 CarbonylContact C-O 3.56Å; Y98-A124 VanDerWaalsContact CA-O 3.23Å; Y98-A124 WeakPolarHBondContact CA-O 3.36Å; Y98-A124 HydrophobicContact CD1-CB 3.31Å; Y98-A124 HydrophobicContact CE1-CB 3.62Å; Y98-A124 HydrophobicContact CG-CB 3.83Å; Y98-A124 PolarHBondContact N-O 3.09Å
99N96.6Very high94.2Very high11 Ų1138.2 Ų38.26%0.05918%0.183CC..SBendtrans-123.5-164175.7-87.5-91.9000109L74 N77 L78 I79 L96 S97 I101 A124 N125L74-N99 PolarHBondContact O-ND2 2.91Å; N77-N99 WeakPolarHBondContact CA-OD1 3.41Å; N77-N99 WeakPolarHBondContact CB-OD1 3.22Å; N77-N99 PolarHBondContact O-OD1 3.37Å; L78-N99 PolarHBondContact N-OD1 2.91Å; I79-N99 HydrophobicContact CB-CB 4.44Å; I79-N99 VanDerWaalsContact CB-OD1 3.26Å; I79-N99 WeakPolarHBondContact CB-OD1 3.26Å; I79-N99 WeakPolarHBondContact CG1-OD1 3.31Å; I79-N99 PolarHBondContact N-OD1 3.44Å; L96-N99 PolarHBondContact O-ND2 2.89Å; S97-N99 VanDerWaalsContact C-N 3.32Å; S97-N99 PolarHBondContact O-N 2.97Å; S97-N99 PolarHBondContact O-ND2 2.85Å; N99-I101 HydrophobicContact CB-CD1 4.14Å; N99-I101 HydrophobicContact CB-CG1 4.03Å; N99-A124 PolarHBondContact N-O 2.94Å; N99-A124 VanDerWaalsContact N-O 3.09Å; N99-N125 WeakPolarHBondContact CA-OD1 3.33Å; N99-N125 WeakPolarHBondContact CB-OD1 3.42Å; N99-N125 PolarHBondContact O-OD1 3.12Å
100K95.2Very high94.1Very high118 Ų11836 Ų3651%0.51317%0.17SC..  trans-120.730.4179.7-62.4-173.9179.4-176.30111.5I79 T80 N102 N125 L126I79-K100 CarbonylContact O-C 3.27Å; I79-K100 VanDerWaalsContact O-C 3.25Å; I79-K100 WeakPolarHBondContact O-CA 3.19Å; I79-K100 PolarHBondContact O-N 3.37Å; T80-K100 WeakPolarHBondContact CA-O 3.39Å; T80-K100 HydrophobicContact CG2-CB 4.13Å; K100-N102 PolarHBondContact O-N 3.4Å; K100-N125 PolarHBondContact N-OD1 3.36Å; K100-L126 HydrophobicContact CB-CD1 4.17Å
101I96.7Very high94Very high0 Ų036.3 Ų36.30%017%0.17CC..  trans-72.8116.3-171.3-59169.1000109.7I79 T80 V82 L96 N99 I104 L122 N125 L126 I127I79-I101 HydrophobicContact CB-CG1 4.33Å; I79-I101 HydrophobicContact CG2-CD1 4.25Å; I79-I101 HydrophobicContact CG2-CG1 4.07Å; I79-I101 WeakPolarHBondContact O-CG1 3.5Å; I79-I101 PolarHBondContact O-N 3.42Å; T80-I101 WeakPolarHBondContact O-CA 3.44Å; V82-I101 HydrophobicContact CG2-CD1 4.18Å; V82-I101 HydrophobicContact CG2-CG2 4Å; L96-I101 HydrophobicContact CB-CD1 3.87Å; L96-I101 HydrophobicContact CD1-CD1 4.28Å; L96-I101 HydrophobicContact CD2-CD1 4.2Å; L96-I101 HydrophobicContact CG-CD1 4.36Å; N99-I101 HydrophobicContact CB-CD1 4.14Å; N99-I101 HydrophobicContact CB-CG1 4.03Å; I101-I104 HydrophobicContact CG2-CG2 3.73Å; I101-L122 HydrophobicContact CD1-CD2 4.28Å; I101-N125 HydrophobicContact CB-CB 4.27Å; I101-N125 VanDerWaalsContact CB-OD1 3.24Å; I101-N125 WeakPolarHBondContact CB-OD1 3.46Å; I101-N125 WeakPolarHBondContact CG1-OD1 3.25Å; I101-N125 PolarHBondContact N-OD1 2.86Å; I101-L126 CarbonylContact O-C 3.21Å; I101-L126 VanDerWaalsContact O-C 3.29Å; I101-L126 WeakPolarHBondContact O-CA 3.31Å; I101-L126 PolarHBondContact O-N 2.99Å; I101-I127 PolarHBondContact O-N 2.9Å
102N93.5Very high93.6Very high87 Ų8736.9 Ų36.947%0.46518%0.177SC..  trans-104.7-15.3166.366.90.6000112.5T80 K100 L126T80-N102 PolarHBondContact O-N 2.87Å; T80-N102 PolarHBondContact O-OD1 2.83Å; K100-N102 PolarHBondContact O-N 3.4Å; N102-L126 WeakPolarHBondContact CA-O 3.28Å; N102-L126 HydrophobicContact CB-CB 4.21Å; N102-L126 WeakPolarHBondContact CB-O 3.21Å
103N93.8Very high93.1Very high45 Ų4540.6 Ų40.624%0.24121%0.205CC..BIsolated β-bridgetrans-129.2115.1-173.9-170.6-35.3000112.1K81 V82 T105K81-N103 WeakPolarHBondContact CA-O 3.42Å; K81-N103 HydrophobicContact CB-CB 4.43Å; K81-N103 HydrophobicContact CD-CB 4.22Å; K81-N103 HydrophobicContact CG-CB 4.09Å; V82-N103 PolarHBondContact N-O 3.31Å; N103-T105 WeakPolarHBondContact OD1-CG2 3.34Å; N103-T105 PolarHBondContact OD1-N 2.95Å; N103-T105 PolarHBondContact OD1-OG1 3.47Å
104I95.9Very high92.7Very high0 Ų043.6 Ų43.60%022%0.219CC..  trans-104.217.1-178.966.4174.2000114.8V82 I101 G106 L107 L122 I127 H132 L133 C136V82-I104 HydrophobicContact CG2-CB 4.14Å; V82-I104 HydrophobicContact CG2-CG2 3.93Å; I101-I104 HydrophobicContact CG2-CG2 3.73Å; I104-G106 PolarHBondContact O-N 2.72Å; I104-L107 HydrophobicContact CB-CD1 4.04Å; I104-L107 HydrophobicContact CB-CG 4.41Å; I104-L107 HydrophobicContact CD1-CD1 4.07Å; I104-L107 HydrophobicContact CG1-CD1 4.41Å; I104-L107 WeakPolarHBondContact O-CB 3.3Å; I104-L107 PolarHBondContact O-N 3.11Å; I104-L122 HydrophobicContact CG2-CD1 4.47Å; I104-L122 HydrophobicContact CG2-CD2 4.49Å; I104-I127 HydrophobicContact CG2-CD1 3.83Å; I104-I127 HydrophobicContact CG2-CG1 4.37Å; I104-H132 PolarHBondContact N-NE2 2.94Å; I104-L133 HydrophobicContact CD1-CD1 3.76Å; I104-C136 HydrophobicContact CD1-CB 3.8Å; I104-C136 HydrophobicContact CG1-CB 3.67Å
105T93.6Very high92.4Very high42 Ų4245.6 Ų45.626%0.25823%0.227SC..G310 helixtrans-54.9-23.4-178.955.90000114.1K81 N103 L107 L108K81-T105 WeakPolarHBondContact CE-OG1 3.49Å; K81-T105 PolarHBondContact NZ-OG1 3.16Å; K81-T105 VanDerWaalsContact NZ-OG1 3.07Å; N103-T105 WeakPolarHBondContact OD1-CG2 3.34Å; N103-T105 PolarHBondContact OD1-N 2.95Å; N103-T105 PolarHBondContact OD1-OG1 3.47Å; T105-L107 PolarHBondContact O-N 3.39Å; T105-L108 HydrophobicContact CG2-CD1 4.5Å; T105-L108 WeakPolarHBondContact O-CB 3.26Å; T105-L108 WeakPolarHBondContact O-CG 3.41Å; T105-L108 PolarHBondContact O-N 2.97Å
106G89.4Confident92.1Very high0 Ų048.4 Ų48.40%024%0.237CC..G310 helixtrans-64.1-16.3176.700000114.6V82 I104 L108 Y109V82-G106 WeakPolarHBondContact O-CA 3.22Å; V82-G106 PolarHBondContact O-N 2.85Å; I104-G106 PolarHBondContact O-N 2.72Å; G106-L108 PolarHBondContact O-N 2.88Å; G106-Y109 WeakPolarHBondContact O-CD2 3.47Å; G106-Y109 PolarHBondContact O-N 2.9Å
107L93.6Very high91.9Very high0 Ų048.6 Ų48.60%024%0.238CC..G310 helixtrans-69.5-20.8171.2-62.2179.4000112.6V82 L85 L94 I104 T105 Y109 L110 H111 L120 L137 L140V82-L107 HydrophobicContact CG1-CD2 4.11Å; V82-L107 HydrophobicContact CG1-CG 4.26Å; L85-L107 HydrophobicContact CD1-CD2 4.06Å; L94-L107 HydrophobicContact CD2-CD2 4.3Å; I104-L107 HydrophobicContact CB-CD1 4.04Å; I104-L107 HydrophobicContact CB-CG 4.41Å; I104-L107 HydrophobicContact CD1-CD1 4.07Å; I104-L107 HydrophobicContact CG1-CD1 4.41Å; I104-L107 WeakPolarHBondContact O-CB 3.3Å; I104-L107 PolarHBondContact O-N 3.11Å; T105-L107 PolarHBondContact O-N 3.39Å; L107-Y109 PolarHBondContact O-N 3.37Å; L107-L110 PolarHBondContact O-N 3.33Å; L107-H111 PolarHBondContact O-CD2 2.7Å; L107-L120 HydrophobicContact CD1-CD2 3.77Å; L107-L137 HydrophobicContact CD1-CD2 3.75Å; L107-L140 HydrophobicContact CB-CD1 4.41Å
108L91.1Very high91.8Very high68 Ų6850.1 Ų50.136%0.35625%0.245SC..G310 helixtrans-60.7-26.1172.3-57.7176.1000112T105 G106 L110 H111T105-L108 HydrophobicContact CG2-CD1 4.5Å; T105-L108 WeakPolarHBondContact O-CB 3.26Å; T105-L108 WeakPolarHBondContact O-CG 3.41Å; T105-L108 PolarHBondContact O-N 2.97Å; G106-L108 PolarHBondContact O-N 2.88Å; L108-L110 PolarHBondContact O-N 3.32Å; L108-H111 WeakPolarHBondContact CD2-CE1 3.42Å; L108-H111 WeakPolarHBondContact O-CB 3.45Å; L108-H111 PolarHBondContact O-N 3.06Å
109Y89.1Confident91.7Very high124 Ų12448.8 Ų48.849%0.48624%0.242SC..G310 helixtrans-75.5-1.8174-59.5-61.6000114.1N86 G106 L107 Y115N86-Y109 WeakPolarHBondContact ND2-CD1 3.38Å; N86-Y109 WeakPolarHBondContact OD1-CD2 3.34Å; G106-Y109 WeakPolarHBondContact O-CD2 3.47Å; G106-Y109 PolarHBondContact O-N 2.9Å; L107-Y109 PolarHBondContact O-N 3.37Å; Y109-Y115 WeakPolarHBondContact O-CE1 3.23Å; Y109-Y115 PolarHBondContact O-OH 3.45Å
110L89.9Confident91.7Very high2 Ų248.3 Ų48.31%0.0124%0.239CC..G310 helixtrans-114.412.2172.8-55.9-179.6000111.9L85 L107 L108 Y115 L117 L140L85-L110 HydrophobicContact CB-CD1 4.3Å; L85-L110 HydrophobicContact CB-CD2 4.22Å; L85-L110 HydrophobicContact CB-CG 4.3Å; L85-L110 HydrophobicContact CD1-CD1 3.85Å; L85-L110 HydrophobicContact CD1-CG 4.49Å; L107-L110 PolarHBondContact O-N 3.33Å; L108-L110 PolarHBondContact O-N 3.32Å; L110-Y115 VanDerWaalsContact C-CD2 3.46Å; L110-Y115 HydrophobicContact CB-CD1 4.18Å; L110-Y115 HydrophobicContact CB-CG 4.16Å; L110-Y115 HydrophobicContact CD2-CD1 3.44Å; L110-Y115 VanDerWaalsContact CD2-CD1 3.44Å; L110-Y115 HydrophobicContact CD2-CE1 3.65Å; L110-Y115 HydrophobicContact CD2-CG 4.27Å; L110-Y115 HydrophobicContact CG-CD1 4.41Å; L110-Y115 VanDerWaalsContact O-CB 3.27Å; L110-Y115 WeakPolarHBondContact O-CB 3.37Å; L110-Y115 WeakPolarHBondContact O-CD2 3.46Å; L110-L117 HydrophobicContact CD1-CD2 4.04Å; L110-L140 HydrophobicContact CB-CD2 3.81Å; L110-L140 VanDerWaalsContact O-CD2 3.27Å; L110-L140 WeakPolarHBondContact O-CD2 3.34Å
111H91.2Very high91.6Very high54 Ų5444 Ų4425%0.2523%0.225CC..  trans-72.1136.8173.2-78-158.6000110.6L107 L108 Y115 C136 G139L107-H111 PolarHBondContact O-CD2 2.7Å; L108-H111 WeakPolarHBondContact CD2-CE1 3.42Å; L108-H111 WeakPolarHBondContact O-CB 3.45Å; L108-H111 PolarHBondContact O-N 3.06Å; H111-Y115 WeakPolarHBondContact O-CD2 3.38Å; H111-Y115 WeakPolarHBondContact O-CE2 3.15Å; H111-C136 PolarHBondContact NE2-O 2.91Å; H111-G139 WeakPolarHBondContact CA-O 3.33Å
112G85.6Confident91.6Very high15 Ų1544 Ų4416%0.15523%0.225CC..SBendtrans132.3176.1-178.300000113.1E114 G139G112-E114 WeakPolarHBondContact CA-OE2 3.45Å; G112-G139 PolarHBondContact N-O 3.46Å
113S83Confident91.6Very high97 Ų9740.4 Ų40.468%0.67821%0.205SC*.SBendtrans-88.2-17.2177.358.50000113.2
114E86.5Confident91.6Very high106 Ų10639.2 Ų39.250%0.49520%0.201SC..SBendtrans-80.8-18.1-177.963.3-85.2-157.600113.3G112G112-E114 WeakPolarHBondContact CA-OE2 3.45Å
115Y90.9Very high91.6Very high46 Ų4639.4 Ų39.418%0.1820%0.202CC..  trans-94.1129.7177.3-64.6-80.8000111.3V89 Y109 L110 H111V89-Y115 HydrophobicContact CB-CD1 4.48Å; V89-Y115 HydrophobicContact CG1-CD1 4.22Å; V89-Y115 HydrophobicContact CG1-CE1 3.79Å; Y109-Y115 WeakPolarHBondContact O-CE1 3.23Å; Y109-Y115 PolarHBondContact O-OH 3.45Å; L110-Y115 VanDerWaalsContact C-CD2 3.46Å; L110-Y115 HydrophobicContact CB-CD1 4.18Å; L110-Y115 HydrophobicContact CB-CG 4.16Å; L110-Y115 HydrophobicContact CD2-CD1 3.44Å; L110-Y115 VanDerWaalsContact CD2-CD1 3.44Å; L110-Y115 HydrophobicContact CD2-CE1 3.65Å; L110-Y115 HydrophobicContact CD2-CG 4.27Å; L110-Y115 HydrophobicContact CG-CD1 4.41Å; L110-Y115 VanDerWaalsContact O-CB 3.27Å; L110-Y115 WeakPolarHBondContact O-CB 3.37Å; L110-Y115 WeakPolarHBondContact O-CD2 3.46Å; H111-Y115 WeakPolarHBondContact O-CD2 3.38Å; H111-Y115 WeakPolarHBondContact O-CE2 3.15Å
116K90.4Very high91.6Very high97 Ų9741.9 Ų41.942%0.42221%0.213SC..  trans-99.520.2-166.8-60.5-179-173.3167.20115.2V89 N90 L91 K92 K118V89-K116 PolarHBondContact O-N 3.33Å; N90-K116 PolarHBondContact OD1-NZ 2.85Å; L91-K116 CarbonylContact O-C 3.57Å; K92-K116 WeakPolarHBondContact CA-O 3.13Å; K92-K116 HydrophobicContact CG-CB 4.26Å; K116-K118 PolarHBondContact O-N 2.97Å
117L93.5Very high91.8Very high4 Ų441.9 Ų41.92%0.02121%0.213CC..  trans-69105.2-171.2-174.865.8000111.4L91 L94 L110 H119 L140 G142 L143L91-L117 HydrophobicContact CD2-CD1 4.39Å; L91-L117 HydrophobicContact CG-CD1 4.3Å; L91-L117 WeakPolarHBondContact O-CA 3.29Å; L91-L117 PolarHBondContact O-N 2.84Å; L94-L117 HydrophobicContact CB-CD1 3.79Å; L110-L117 HydrophobicContact CD1-CD2 4.04Å; L117-H119 WeakPolarHBondContact CD1-O 3.29Å; L117-L140 HydrophobicContact CD2-CD1 4.44Å; L117-G142 CarbonylContact O-C 3.56Å; L117-L143 WeakPolarHBondContact O-CA 3.39Å; L117-L143 PolarHBondContact O-N 2.92Å; L117-L143 VanDerWaalsContact O-N 3.08Å
118K92Very high91.6Very high35 Ų3547.2 Ų47.215%0.15224%0.242CC..  trans-93.8-34.4179.5-66.1-175.7-176178.50112.8K92 K116 G142 R144 S145 D199 D203K92-K118 PolarHBondContact O-N 3.16Å; K116-K118 PolarHBondContact O-N 2.97Å; K118-G142 WeakPolarHBondContact CA-O 3.45Å; K118-R144 PolarHBondContact O-N 2.72Å; K118-S145 PolarHBondContact O-N 3.47Å; K118-D199 IonicContact NZ-OD1 2.66Å; K118-D199 IonicContact NZ-OD2 2.97Å; K118-D199 PolarHBondContact NZ-OD2 3.48Å; K118-D203 IonicContact NZ-OD1 2.79Å; K118-D203 PolarHBondContact NZ-OD1 3.31Å; K118-D203 IonicContact NZ-OD2 3.89Å; K118-D203 PolarHBondContact NZ-OD2 2.81Å
119H94.2Very high91.7Very high73 Ų7346 Ų4634%0.33824%0.239SC..EExtended strand (participates in β ladder)trans-128.8133-175.1-52.9-97.3000112.5K92 K93 L94 L117 S145K92-H119 PolarHBondContact O-N 2.87Å; K93-H119 HydrophobicContact CG-CB 4.27Å; L94-H119 PolarHBondContact N-O 3.01Å; L117-H119 WeakPolarHBondContact CD1-O 3.29Å; H119-S145 WeakPolarHBondContact CA-O 3.29Å; H119-S145 VanDerWaalsContact ND1-CB 3.3Å; H119-S145 WeakPolarHBondContact ND1-CB 3.49Å
120L95.6Very high91.8Very high1 Ų141.8 Ų41.81%0.00523%0.225CC..EExtended strand (participates in β ladder)trans-136.7113-179.3177.160.7000111.7L94 L107 L122 L137 L143 S145 V146 T147L94-L120 HydrophobicContact CB-CD1 4.15Å; L94-L120 HydrophobicContact CD2-CD1 3.99Å; L94-L120 HydrophobicContact CG-CD1 4.05Å; L94-L120 WeakPolarHBondContact O-CA 3.28Å; L107-L120 HydrophobicContact CD1-CD2 3.77Å; L120-L122 HydrophobicContact CD1-CD1 4.13Å; L120-L122 HydrophobicContact CD1-CG 4.06Å; L120-L122 HydrophobicContact CD2-CD1 3.79Å; L120-L122 HydrophobicContact CG-CD1 3.85Å; L120-L122 HydrophobicContact CG-CG 4.09Å; L120-L137 HydrophobicContact CD2-CD2 3.63Å; L120-L143 HydrophobicContact CB-CD1 3.89Å; L120-S145 PolarHBondContact N-O 3.2Å; L120-V146 CarbonylContact O-C 3.6Å; L120-V146 WeakPolarHBondContact O-CA 3.43Å; L120-T147 PolarHBondContact O-N 2.81Å
121S95.1Very high91.8Very high29 Ų2947.3 Ų47.320%0.20325%0.254CS..EExtended strand (participates in β ladder)trans-106121.1177.1-57.30000110.8L94 N95 L96 S97L94-S121 PolarHBondContact O-N 3.37Å; N95-S121 VanDerWaalsContact OD1-CB 3.31Å; N95-S121 WeakPolarHBondContact OD1-CB 3.38Å; L96-S121 WeakPolarHBondContact CA-O 3.33Å; L96-S121 PolarHBondContact N-O 3.28Å; S97-S121 PolarHBondContact N-O 2.9Å
122L95.1Very high91.8Very high0 Ų046.4 Ų46.40%025%0.25CC..  trans-134.43.9-173.5-79.7169.8000113.1L96 I101 I104 L120 N125 I127 T147 L148 N155L96-L122 HydrophobicContact CB-CD2 3.85Å; L96-L122 HydrophobicContact CD1-CD2 4.14Å; I101-L122 HydrophobicContact CD1-CD2 4.28Å; I104-L122 HydrophobicContact CG2-CD1 4.47Å; I104-L122 HydrophobicContact CG2-CD2 4.49Å; L120-L122 HydrophobicContact CD1-CD1 4.13Å; L120-L122 HydrophobicContact CD1-CG 4.06Å; L120-L122 HydrophobicContact CD2-CD1 3.79Å; L120-L122 HydrophobicContact CG-CD1 3.85Å; L120-L122 HydrophobicContact CG-CG 4.09Å; L122-N125 WeakPolarHBondContact O-CB 3.43Å; L122-N125 PolarHBondContact O-ND2 3.34Å; L122-I127 HydrophobicContact CB-CD1 4.45Å; L122-I127 HydrophobicContact CD1-CD1 4.23Å; L122-T147 CarbonylContact C-O 3.6Å; L122-T147 WeakPolarHBondContact CA-O 3.46Å; L122-T147 PolarHBondContact N-O 3.5Å; L122-L148 HydrophobicContact CB-CD2 3.56Å; L122-L148 HydrophobicContact CD1-CD2 4.13Å; L122-N155 PolarHBondContact O-ND2 2.83Å
123H94.1Very high92.2Very high10 Ų1045.7 Ų45.75%0.04624%0.243CC..  trans-56.1156.9175.677.2111.4000112.6S97 Y98 N125 T147 L148 Q150 G153S97-H123 CarbonylContact C-O 3.58Å; S97-H123 WeakPolarHBondContact CA-O 3.26Å; S97-H123 WeakPolarHBondContact CB-CD2 3.46Å; S97-H123 WeakPolarHBondContact CB-NE2 3.42Å; S97-H123 WeakPolarHBondContact CB-O 3.44Å; S97-H123 PolarHBondContact OG-NE2 3.02Å; Y98-H123 AromaticContact CE2-CE1 3.42Å; Y98-H123 VanDerWaalsContact CE2-CE1 3.42Å; Y98-H123 WeakPolarHBondContact CE2-CE1 3.38Å; Y98-H123 AromaticContact CZ-CE1 3.75Å; Y98-H123 PolarHBondContact N-O 3.25Å; H123-N125 PolarHBondContact O-ND2 2.87Å; H123-T147 HydrophobicContact CB-CG2 4.25Å; H123-T147 PolarHBondContact N-O 3.16Å; H123-L148 WeakPolarHBondContact CA-O 3.41Å; H123-Q150 HydrophobicContact CB-CB 4.2Å; H123-Q150 PolarHBondContact ND1-O 3.16Å; H123-Q150 VanDerWaalsContact ND1-O 3.09Å; H123-G153 WeakPolarHBondContact CB-O 2.92Å
124A93.4Very high92.6Very high20 Ų2042.5 Ų42.517%0.16522%0.217CC..SBendtrans51.460.3-170.300000112.9Y98 N99 G153Y98-A124 CarbonylContact C-O 3.56Å; Y98-A124 VanDerWaalsContact CA-O 3.23Å; Y98-A124 WeakPolarHBondContact CA-O 3.36Å; Y98-A124 HydrophobicContact CD1-CB 3.31Å; Y98-A124 HydrophobicContact CE1-CB 3.62Å; Y98-A124 HydrophobicContact CG-CB 3.83Å; Y98-A124 PolarHBondContact N-O 3.09Å; N99-A124 PolarHBondContact N-O 2.94Å; N99-A124 VanDerWaalsContact N-O 3.09Å; A124-G153 PolarHBondContact N-O 2.84Å
125N95.3Very high92.8Very high5 Ų543.6 Ų43.63%0.02722%0.223CC..SBendtrans-137.5-172.9172.4-83.8-75.2000110.1L96 N99 K100 I101 L122 H123 N155L96-N125 PolarHBondContact O-ND2 3.14Å; N99-N125 WeakPolarHBondContact CA-OD1 3.33Å; N99-N125 WeakPolarHBondContact CB-OD1 3.42Å; N99-N125 PolarHBondContact O-OD1 3.12Å; K100-N125 PolarHBondContact N-OD1 3.36Å; I101-N125 HydrophobicContact CB-CB 4.27Å; I101-N125 VanDerWaalsContact CB-OD1 3.24Å; I101-N125 WeakPolarHBondContact CB-OD1 3.46Å; I101-N125 WeakPolarHBondContact CG1-OD1 3.25Å; I101-N125 PolarHBondContact N-OD1 2.86Å; L122-N125 WeakPolarHBondContact O-CB 3.43Å; L122-N125 PolarHBondContact O-ND2 3.34Å; H123-N125 PolarHBondContact O-ND2 2.87Å; N125-N155 WeakPolarHBondContact CA-OD1 3.49Å; N125-N155 WeakPolarHBondContact CB-OD1 3.2Å; N125-N155 PolarHBondContact O-OD1 2.94Å
126L93.6Very high92.9Very high93 Ų9341.5 Ų41.549%0.48722%0.215SC..  trans-11535.6-171-59.1176.8000112.1K100 I101 N102K100-L126 HydrophobicContact CB-CD1 4.17Å; I101-L126 CarbonylContact O-C 3.21Å; I101-L126 VanDerWaalsContact O-C 3.29Å; I101-L126 WeakPolarHBondContact O-CA 3.31Å; I101-L126 PolarHBondContact O-N 2.99Å; N102-L126 WeakPolarHBondContact CA-O 3.28Å; N102-L126 HydrophobicContact CB-CB 4.21Å; N102-L126 WeakPolarHBondContact CB-O 3.21Å
127I93.9Very high93Very high0 Ų036.9 Ų36.90%019%0.194CC..  trans-77.5122.1178.1-54.9172.5000109.4I101 I104 L122 L148 N155 P156 I157I101-I127 PolarHBondContact O-N 2.9Å; I104-I127 HydrophobicContact CG2-CD1 3.83Å; I104-I127 HydrophobicContact CG2-CG1 4.37Å; L122-I127 HydrophobicContact CB-CD1 4.45Å; L122-I127 HydrophobicContact CD1-CD1 4.23Å; I127-L148 HydrophobicContact CD1-CD2 3.93Å; I127-N155 HydrophobicContact CB-CB 4.35Å; I127-N155 WeakPolarHBondContact CB-OD1 3.25Å; I127-N155 WeakPolarHBondContact CG1-OD1 3.4Å; I127-N155 PolarHBondContact N-OD1 3.15Å; I127-N155 VanDerWaalsContact N-OD1 3.14Å; I127-P156 WeakPolarHBondContact O-CB 3.32Å; I127-P156 VanDerWaalsContact O-CD 3.23Å; I127-P156 WeakPolarHBondContact O-CD 3.34Å; I127-I157 HydrophobicContact CB-CD1 4.31Å; I127-I157 HydrophobicContact CB-CG1 4.39Å; I127-I157 HydrophobicContact CG2-CD1 3.91Å; I127-I157 HydrophobicContact CG2-CG1 4.28Å; I127-I157 HydrophobicContact CG2-CG2 4.23Å; I127-I157 PolarHBondContact O-N 3.43Å
128D91.1Very high92.8Very high113 Ų11341.8 Ų41.860%0.60422%0.22SC*.  trans-116.9-32.3-171.359.4-8.5000114.4P156 I157D128-P156 HydrophobicContact CB-CB 4.43Å; D128-I157 VanDerWaalsContact O-CG2 3.31Å; D128-I157 WeakPolarHBondContact O-CG2 3.32Å
129S92Very high92.4Very high41 Ų4141 Ų4129%0.28722%0.222SC..  trans-95.3122.9177.6173.80000112.7D131 H132 L133S129-D131 PolarHBondContact OG-N 3.42Å; S129-H132 WeakPolarHBondContact OG-CB 3.32Å; S129-H132 PolarHBondContact OG-N 2.97Å; S129-H132 VanDerWaalsContact OG-N 3.17Å; S129-L133 PolarHBondContact O-N 2.94Å
130I91.1Very high92.3Very high37 Ų3737.6 Ų37.619%0.1921%0.206CC..Hα-helixtrans-72.1-36.2172.9-168162.2000112.1H132 L133 L134 Y163 I166 V167I130-H132 VanDerWaalsContact C-N 3.31Å; I130-H132 PolarHBondContact O-N 2.84Å; I130-L133 WeakPolarHBondContact O-CB 3.45Å; I130-L133 PolarHBondContact O-N 3.49Å; I130-L134 HydrophobicContact CG1-CD1 4.41Å; I130-L134 HydrophobicContact CG1-CG 4.39Å; I130-L134 WeakPolarHBondContact O-CG 3.29Å; I130-L134 PolarHBondContact O-N 3.22Å; I130-Y163 HydrophobicContact CD1-CD2 4.32Å; I130-I166 HydrophobicContact CD1-CB 3.93Å; I130-I166 HydrophobicContact CD1-CD1 4.26Å; I130-I166 HydrophobicContact CD1-CG2 3.58Å; I130-I166 HydrophobicContact CG1-CG2 4.29Å; I130-V167 HydrophobicContact CD1-CG2 4.17Å; I130-V167 HydrophobicContact CG1-CG2 4.42Å
131D90.6Very high91.8Very high118 Ų11843 Ų4363%0.63123%0.232SC*.Hα-helixtrans-62-41175.8-54.2-70.9000111.5S129 L134 Q135S129-D131 PolarHBondContact OG-N 3.42Å; D131-L134 PolarHBondContact O-N 2.92Å; D131-Q135 VanDerWaalsContact O-CB 3.28Å; D131-Q135 WeakPolarHBondContact O-CB 3.39Å; D131-Q135 PolarHBondContact O-N 2.91Å
132H91.4Very high91.3Very high35 Ų3542.7 Ų42.716%0.16223%0.232CC..Hα-helixtrans-63.6-40.2174.9-174.240000112.2I104 S129 I130 C136I104-H132 PolarHBondContact N-NE2 2.94Å; S129-H132 WeakPolarHBondContact OG-CB 3.32Å; S129-H132 PolarHBondContact OG-N 2.97Å; S129-H132 VanDerWaalsContact OG-N 3.17Å; I130-H132 VanDerWaalsContact C-N 3.31Å; I130-H132 PolarHBondContact O-N 2.84Å; H132-C136 VanDerWaalsContact CE1-SG 3.59Å; H132-C136 WeakPolarHBondContact O-CB 3.25Å; H132-C136 PolarHBondContact O-N 2.79Å; H132-C136 VanDerWaalsContact O-N 3.1Å; H132-C136 PolarHBondContact O-SG 2.68Å
133L93.3Very high91.2Very high0 Ų042.7 Ų42.70%023%0.232CC..Hα-helixtrans-59.7-54.6172.7-178.475.1000110.9I104 S129 I130 Q135 C136 L137 L148 I157 Y163 V167I104-L133 HydrophobicContact CD1-CD1 3.76Å; S129-L133 PolarHBondContact O-N 2.94Å; I130-L133 WeakPolarHBondContact O-CB 3.45Å; I130-L133 PolarHBondContact O-N 3.49Å; L133-Q135 PolarHBondContact O-N 3.47Å; L133-C136 PolarHBondContact O-N 3.26Å; L133-L137 HydrophobicContact CD1-CD1 3.67Å; L133-L137 HydrophobicContact CD1-CG 4.11Å; L133-L137 HydrophobicContact CG-CD1 3.91Å; L133-L137 HydrophobicContact CG-CG 4.39Å; L133-L137 WeakPolarHBondContact O-CG 3.47Å; L133-L137 PolarHBondContact O-N 3.39Å; L133-L148 HydrophobicContact CD1-CD1 3.93Å; L133-L148 HydrophobicContact CD1-CD2 4.28Å; L133-L148 HydrophobicContact CD2-CD1 3.68Å; L133-L148 HydrophobicContact CG-CD1 4.45Å; L133-I157 HydrophobicContact CD2-CD1 3.78Å; L133-Y163 HydrophobicContact CD2-CE2 4.4Å; L133-V167 HydrophobicContact CD2-CG2 3.85Å
134L91.5Very high91Very high29 Ų2947.4 Ų47.415%0.15225%0.25CC..Hα-helixtrans-60.1-48.2-177.7-67179.4000111.4I130 D131 C136 L137 L138 I166 V167 L171I130-L134 HydrophobicContact CG1-CD1 4.41Å; I130-L134 HydrophobicContact CG1-CG 4.39Å; I130-L134 WeakPolarHBondContact O-CG 3.29Å; I130-L134 PolarHBondContact O-N 3.22Å; D131-L134 PolarHBondContact O-N 2.92Å; L134-C136 VanDerWaalsContact C-N 3.27Å; L134-C136 PolarHBondContact O-N 2.84Å; L134-L137 PolarHBondContact O-N 2.93Å; L134-L138 VanDerWaalsContact O-CB 3.26Å; L134-L138 WeakPolarHBondContact O-CB 3.27Å; L134-L138 PolarHBondContact O-N 2.87Å; L134-I166 HydrophobicContact CD1-CG2 4.17Å; L134-V167 HydrophobicContact CD2-CG2 4.37Å; L134-L171 HydrophobicContact CD2-CD1 3.95Å; L134-L171 HydrophobicContact CD2-CD2 4.19Å; L134-L171 HydrophobicContact CD2-CG 3.78Å
135Q91.6Very high90.9Very high130 Ų13047.6 Ų47.661%0.60725%0.25SS*.Hα-helixtrans-57.2-40.1177.4-175.3179.95.700112.2D131 L133D131-Q135 VanDerWaalsContact O-CB 3.28Å; D131-Q135 WeakPolarHBondContact O-CB 3.39Å; D131-Q135 PolarHBondContact O-N 2.91Å; L133-Q135 PolarHBondContact O-N 3.47Å
136C91.8Very high90.9Very high1 Ų147.4 Ų47.41%0.00725%0.249CC..Hα-helixtrans-79.4-27.1-179-67.30000113.9I104 H111 H132 L133 L134I104-C136 HydrophobicContact CD1-CB 3.8Å; I104-C136 HydrophobicContact CG1-CB 3.67Å; H111-C136 PolarHBondContact NE2-O 2.91Å; H132-C136 VanDerWaalsContact CE1-SG 3.59Å; H132-C136 WeakPolarHBondContact O-CB 3.25Å; H132-C136 PolarHBondContact O-N 2.79Å; H132-C136 VanDerWaalsContact O-N 3.1Å; H132-C136 PolarHBondContact O-SG 2.68Å; L133-C136 PolarHBondContact O-N 3.26Å; L134-C136 VanDerWaalsContact C-N 3.27Å; L134-C136 PolarHBondContact O-N 2.84Å
137L92.5Very high90.8Very high0 Ų043.5 Ų43.50%023%0.229CC..Hα-helixtrans-93.5-23.5-179.7-62.3-172.6000114.5L107 L120 L133 L134 G139 L140 L143 V146 L171 Q173L107-L137 HydrophobicContact CD1-CD2 3.75Å; L120-L137 HydrophobicContact CD2-CD2 3.63Å; L133-L137 HydrophobicContact CD1-CD1 3.67Å; L133-L137 HydrophobicContact CD1-CG 4.11Å; L133-L137 HydrophobicContact CG-CD1 3.91Å; L133-L137 HydrophobicContact CG-CG 4.39Å; L133-L137 WeakPolarHBondContact O-CG 3.47Å; L133-L137 PolarHBondContact O-N 3.39Å; L134-L137 PolarHBondContact O-N 2.93Å; L137-G139 VanDerWaalsContact C-N 3.31Å; L137-G139 PolarHBondContact O-N 2.84Å; L137-L140 HydrophobicContact CD2-CD1 3.63Å; L137-L140 WeakPolarHBondContact O-CB 3.38Å; L137-L140 PolarHBondContact O-N 3.26Å; L137-L143 HydrophobicContact CD2-CD2 4.13Å; L137-V146 HydrophobicContact CD1-CG1 4.47Å; L137-V146 HydrophobicContact CD1-CG2 4.42Å; L137-L171 HydrophobicContact CB-CD1 3.62Å; L137-L171 HydrophobicContact CB-CD2 4.31Å; L137-L171 HydrophobicContact CD1-CD1 3.8Å; L137-L171 HydrophobicContact CG-CD1 4.35Å; L137-Q173 PolarHBondContact O-NE2 2.82Å
138L89Confident90.7Very high107 Ų10743.5 Ų43.556%0.5623%0.229SC*.THydrogen-bonded Turntrans-57.1-37.8-172.4-175.463.9000114.1L134 L140 L171 Q173L134-L138 VanDerWaalsContact O-CB 3.26Å; L134-L138 WeakPolarHBondContact O-CB 3.27Å; L134-L138 PolarHBondContact O-N 2.87Å; L138-L140 VanDerWaalsContact C-N 3.34Å; L138-L140 PolarHBondContact O-N 3.37Å; L138-L171 HydrophobicContact CB-CD2 4.11Å; L138-L171 HydrophobicContact CD1-CD2 3.99Å; L138-Q173 PolarHBondContact O-NE2 3.39Å
139G84.9Confident90.6Very high18 Ų1840.7 Ų40.719%0.18621%0.214CC..THydrogen-bonded Turntrans-83.3-0.4179.300000115.7H111 G112 L137 Q141H111-G139 WeakPolarHBondContact CA-O 3.33Å; G112-G139 PolarHBondContact N-O 3.46Å; L137-G139 VanDerWaalsContact C-N 3.31Å; L137-G139 PolarHBondContact O-N 2.84Å; G139-Q141 PolarHBondContact O-N 2.85Å; G139-Q141 VanDerWaalsContact O-N 3.1Å
140L90.4Very high90.3Very high3 Ų342.5 Ų42.52%0.01622%0.218CC..  trans-84.674179-59.3177.6000110.8L107 L110 L117 L137 L138 G142 L143L107-L140 HydrophobicContact CB-CD1 4.41Å; L110-L140 HydrophobicContact CB-CD2 3.81Å; L110-L140 VanDerWaalsContact O-CD2 3.27Å; L110-L140 WeakPolarHBondContact O-CD2 3.34Å; L117-L140 HydrophobicContact CD2-CD1 4.44Å; L137-L140 HydrophobicContact CD2-CD1 3.63Å; L137-L140 WeakPolarHBondContact O-CB 3.38Å; L137-L140 PolarHBondContact O-N 3.26Å; L138-L140 VanDerWaalsContact C-N 3.34Å; L138-L140 PolarHBondContact O-N 3.37Å; L140-G142 PolarHBondContact O-N 2.94Å; L140-L143 HydrophobicContact CB-CB 3.94Å; L140-L143 HydrophobicContact CB-CD2 4.14Å; L140-L143 HydrophobicContact CD1-CD2 3.98Å; L140-L143 WeakPolarHBondContact O-CB 3.35Å; L140-L143 PolarHBondContact O-N 3.5Å
141Q85.7Confident89.5Confident115 Ų11546.6 Ų46.654%0.53724%0.24SC..THydrogen-bonded Turntrans-59.7-31.2-172.3-58.9179.49.100114G139 L143 R144G139-Q141 PolarHBondContact O-N 2.85Å; G139-Q141 VanDerWaalsContact O-N 3.1Å; Q141-L143 VanDerWaalsContact C-N 3.31Å; Q141-L143 PolarHBondContact O-N 3.28Å; Q141-R144 PolarHBondContact O-NH1 3.09Å
142G85Confident88.5Confident21 Ų2144.4 Ų44.422%0.21625%0.246CC..THydrogen-bonded Turntrans-74.6-1417700000115.1L117 K118 L140 R144L117-G142 CarbonylContact O-C 3.56Å; K118-G142 WeakPolarHBondContact CA-O 3.45Å; L140-G142 PolarHBondContact O-N 2.94Å; G142-R144 PolarHBondContact O-NH1 3.3Å
143L92.1Very high87.9Confident0 Ų043.3 Ų43.30%024%0.244CC..  trans-69.3135.2-170.1-16961.9000111.4L117 L120 L137 L140 Q141 V146 Q173 I174L117-L143 WeakPolarHBondContact O-CA 3.39Å; L117-L143 PolarHBondContact O-N 2.92Å; L117-L143 VanDerWaalsContact O-N 3.08Å; L120-L143 HydrophobicContact CB-CD1 3.89Å; L137-L143 HydrophobicContact CD2-CD2 4.13Å; L140-L143 HydrophobicContact CB-CB 3.94Å; L140-L143 HydrophobicContact CB-CD2 4.14Å; L140-L143 HydrophobicContact CD1-CD2 3.98Å; L140-L143 WeakPolarHBondContact O-CB 3.35Å; L140-L143 PolarHBondContact O-N 3.5Å; Q141-L143 VanDerWaalsContact C-N 3.31Å; Q141-L143 PolarHBondContact O-N 3.28Å; L143-V146 HydrophobicContact CD1-CG2 4.03Å; L143-V146 HydrophobicContact CD2-CG2 3.59Å; L143-V146 HydrophobicContact CG-CG2 3.87Å; L143-Q173 HydrophobicContact CB-CG 4.44Å; L143-Q173 CarbonylContact O-C 3.58Å; L143-I174 HydrophobicContact CD2-CD1 4.44Å; L143-I174 HydrophobicContact CD2-CG1 4.41Å; L143-I174 HydrophobicContact CG-CG1 4.47Å
144R90.5Very high87.5Confident109 Ų10946.6 Ų46.641%0.41126%0.261SS..  trans-130.4-33.4-179.8-63.5-63.7176.4-89-3112.8K118 Q141 G142 S175 V176K118-R144 PolarHBondContact O-N 2.72Å; Q141-R144 PolarHBondContact O-NH1 3.09Å; G142-R144 PolarHBondContact O-NH1 3.3Å; R144-S175 PolarHBondContact O-N 2.81Å; R144-S175 PolarHBondContact O-OG 2.77Å; R144-S175 VanDerWaalsContact O-OG 3.07Å; R144-V176 PolarHBondContact O-N 3.44Å
145S92Very high87.4Confident25 Ų2545.2 Ų45.218%0.17525%0.254CS..EExtended strand (participates in β ladder)trans-128.8126.2-174.6176.70000110.7K118 H119 L120 V176K118-S145 PolarHBondContact O-N 3.47Å; H119-S145 WeakPolarHBondContact CA-O 3.29Å; H119-S145 VanDerWaalsContact ND1-CB 3.3Å; H119-S145 WeakPolarHBondContact ND1-CB 3.49Å; L120-S145 PolarHBondContact N-O 3.2Å; S145-V176 VanDerWaalsContact CA-O 3.28Å; S145-V176 WeakPolarHBondContact CA-O 3.41Å
146V93.8Very high87.3Confident0 Ų041.8 Ų41.80%024%0.243CC..EExtended strand (participates in β ladder)trans-128.7139.4176.2176.90000109.6L120 L137 L143 L148 I174 V176 L177 D178L120-V146 CarbonylContact O-C 3.6Å; L120-V146 WeakPolarHBondContact O-CA 3.43Å; L137-V146 HydrophobicContact CD1-CG1 4.47Å; L137-V146 HydrophobicContact CD1-CG2 4.42Å; L143-V146 HydrophobicContact CD1-CG2 4.03Å; L143-V146 HydrophobicContact CD2-CG2 3.59Å; L143-V146 HydrophobicContact CG-CG2 3.87Å; V146-L148 HydrophobicContact CG1-CD1 3.75Å; V146-L148 HydrophobicContact CG1-CG 3.88Å; V146-I174 HydrophobicContact CB-CD1 4.29Å; V146-I174 HydrophobicContact CG2-CD1 3.63Å; V146-I174 HydrophobicContact CG2-CG1 4.21Å; V146-V176 PolarHBondContact N-O 3.27Å; V146-L177 HydrophobicContact CB-CD1 3.85Å; V146-L177 HydrophobicContact CG1-CD1 3.85Å; V146-L177 CarbonylContact O-C 3.58Å; V146-L177 VanDerWaalsContact O-CA 3.28Å; V146-L177 WeakPolarHBondContact O-CA 3.22Å; V146-D178 PolarHBondContact O-N 2.91Å
147T93.1Very high87.3Confident11 Ų1142 Ų427%0.06724%0.244CC..EExtended strand (participates in β ladder)trans-129.6114.1174.8-44.10000110.1L120 L122 H123 N149 Q150L120-T147 PolarHBondContact O-N 2.81Å; L122-T147 CarbonylContact C-O 3.6Å; L122-T147 WeakPolarHBondContact CA-O 3.46Å; L122-T147 PolarHBondContact N-O 3.5Å; H123-T147 HydrophobicContact CB-CG2 4.25Å; H123-T147 PolarHBondContact N-O 3.16Å; T147-N149 WeakPolarHBondContact CG2-O 3.37Å; T147-Q150 HydrophobicContact CG2-CB 3.57Å
148L91.4Very high87Confident0 Ų043.1 Ų43.10%025%0.252CS..SBendtrans-122.5-23.1-180-68.5159.3000111.9L122 H123 I127 L133 V146 N155 I157 C158 Y163 L177 D178L122-L148 HydrophobicContact CB-CD2 3.56Å; L122-L148 HydrophobicContact CD1-CD2 4.13Å; H123-L148 WeakPolarHBondContact CA-O 3.41Å; I127-L148 HydrophobicContact CD1-CD2 3.93Å; L133-L148 HydrophobicContact CD1-CD1 3.93Å; L133-L148 HydrophobicContact CD1-CD2 4.28Å; L133-L148 HydrophobicContact CD2-CD1 3.68Å; L133-L148 HydrophobicContact CG-CD1 4.45Å; V146-L148 HydrophobicContact CG1-CD1 3.75Å; V146-L148 HydrophobicContact CG1-CG 3.88Å; L148-N155 PolarHBondContact O-N 2.71Å; L148-N155 PolarHBondContact O-ND2 3.17Å; L148-I157 HydrophobicContact CD1-CD1 4.04Å; L148-I157 HydrophobicContact CD2-CD1 4.25Å; L148-C158 PolarHBondContact O-SG 3.31Å; L148-Y163 WeakPolarHBondContact CB-OH 3.41Å; L148-Y163 HydrophobicContact CD1-CE2 4.21Å; L148-Y163 WeakPolarHBondContact CD1-OH 3.46Å; L148-L177 HydrophobicContact CD1-CD1 4.34Å; L148-D178 WeakPolarHBondContact CA-OD1 3.28Å; L148-D178 PolarHBondContact N-OD1 2.84Å
149N88.4Confident86.8Confident54 Ų5444.5 Ų44.529%0.28926%0.258SS..SBendtrans-115.1127.9160.6-176.3-44.6000108.8T147 D154 C158 D178T147-N149 WeakPolarHBondContact CG2-O 3.37Å; N149-D154 PolarHBondContact ND2-OD1 3.23Å; N149-D154 PolarHBondContact ND2-OD2 2.75Å; N149-D154 PolarHBondContact OD1-OD1 3.46Å; N149-C158 HydrophobicContact CB-CB 4.4Å; N149-D178 HydrophobicContact CB-CB 4.23Å; N149-D178 PolarHBondContact N-OD1 3.19Å
150Q85.3Confident86.8Confident79 Ų7945.8 Ų45.837%0.36927%0.267SS..  trans-164.6143163168171.6-5.400109.9H123 T147 G152 G153H123-Q150 HydrophobicContact CB-CB 4.2Å; H123-Q150 PolarHBondContact ND1-O 3.16Å; H123-Q150 VanDerWaalsContact ND1-O 3.09Å; T147-Q150 HydrophobicContact CG2-CB 3.57Å; Q150-G152 VanDerWaalsContact C-N 3.29Å; Q150-G152 PolarHBondContact O-N 3.11Å; Q150-G153 WeakPolarHBondContact O-CA 3.35Å; Q150-G153 PolarHBondContact O-N 2.87Å
151D74.3Confident86.2Confident124 Ų12451.8 Ų51.866%0.66331%0.306SS*.THydrogen-bonded Turntrans54.836.3172.5-58-34.3000114.5G153D151-G153 PolarHBondContact O-N 2.97Å
152G70.9Confident86Confident72 Ų7247.8 Ų47.874%0.74230%0.296SS*.THydrogen-bonded Turntrans71.64.5-177.300000114.4Q150 D154Q150-G152 VanDerWaalsContact C-N 3.29Å; Q150-G152 PolarHBondContact O-N 3.11Å; G152-D154 PolarHBondContact O-N 3.04Å
153G78Confident86.2Confident12 Ų1247.4 Ų47.412%0.12429%0.288CS..  trans-89.678.8172.900000111H123 A124 Q150 D151H123-G153 WeakPolarHBondContact CB-O 2.92Å; A124-G153 PolarHBondContact N-O 2.84Å; Q150-G153 WeakPolarHBondContact O-CA 3.35Å; Q150-G153 PolarHBondContact O-N 2.87Å; D151-G153 PolarHBondContact O-N 2.97Å
154D85.8Confident86.1Confident68 Ų6848.9 Ų48.936%0.36429%0.294SS..  trans-92.6141.5-172.8-67.515.2000111.7N149 G152N149-D154 PolarHBondContact ND2-OD1 3.23Å; N149-D154 PolarHBondContact ND2-OD2 2.75Å; N149-D154 PolarHBondContact OD1-OD1 3.46Å; G152-D154 PolarHBondContact O-N 3.04Å
155N89.9Confident86Confident1 Ų147.8 Ų47.81%0.00529%0.293CS..  trans-78.3147.6162.8-78.6-94.5000110.1L122 N125 I127 L148 I157 C158L122-N155 PolarHBondContact O-ND2 2.83Å; N125-N155 WeakPolarHBondContact CA-OD1 3.49Å; N125-N155 WeakPolarHBondContact CB-OD1 3.2Å; N125-N155 PolarHBondContact O-OD1 2.94Å; I127-N155 HydrophobicContact CB-CB 4.35Å; I127-N155 WeakPolarHBondContact CB-OD1 3.25Å; I127-N155 WeakPolarHBondContact CG1-OD1 3.4Å; I127-N155 PolarHBondContact N-OD1 3.15Å; I127-N155 VanDerWaalsContact N-OD1 3.14Å; L148-N155 PolarHBondContact O-N 2.71Å; L148-N155 PolarHBondContact O-ND2 3.17Å; N155-I157 HydrophobicContact CB-CD1 4.34Å; N155-I157 HydrophobicContact CB-CG1 3.67Å; N155-I157 PolarHBondContact O-N 3.18Å; N155-I157 VanDerWaalsContact O-N 3.12Å; N155-C158 VanDerWaalsContact O-CB 3.3Å; N155-C158 WeakPolarHBondContact O-CB 3.41Å; N155-C158 PolarHBondContact O-N 3.32Å
156P89.3Confident85.9Confident58 Ų5849.9 Ų49.938%0.37730%0.302SS..G310 helixtrans-50.1-36.2175.7-29.333.4000115.2I127 D128 C158 I159I127-P156 WeakPolarHBondContact O-CB 3.32Å; I127-P156 VanDerWaalsContact O-CD 3.23Å; I127-P156 WeakPolarHBondContact O-CD 3.34Å; D128-P156 HydrophobicContact CB-CB 4.43Å; P156-C158 PolarHBondContact O-N 2.85Å; P156-I159 PolarHBondContact O-N 3.09Å
157I90.5Very high85.7Confident5 Ų549.9 Ų49.93%0.02630%0.302CS..G310 helixtrans-55.7-31.9172.747.1165.1000114.3I127 D128 L133 L148 N155 I159 A160 Y163I127-I157 HydrophobicContact CB-CD1 4.31Å; I127-I157 HydrophobicContact CB-CG1 4.39Å; I127-I157 HydrophobicContact CG2-CD1 3.91Å; I127-I157 HydrophobicContact CG2-CG1 4.28Å; I127-I157 HydrophobicContact CG2-CG2 4.23Å; I127-I157 PolarHBondContact O-N 3.43Å; D128-I157 VanDerWaalsContact O-CG2 3.31Å; D128-I157 WeakPolarHBondContact O-CG2 3.32Å; L133-I157 HydrophobicContact CD2-CD1 3.78Å; L148-I157 HydrophobicContact CD1-CD1 4.04Å; L148-I157 HydrophobicContact CD2-CD1 4.25Å; N155-I157 HydrophobicContact CB-CD1 4.34Å; N155-I157 HydrophobicContact CB-CG1 3.67Å; N155-I157 PolarHBondContact O-N 3.18Å; N155-I157 VanDerWaalsContact O-N 3.12Å; I157-I159 PolarHBondContact O-N 2.85Å; I157-A160 VanDerWaalsContact O-CB 3.31Å; I157-A160 WeakPolarHBondContact O-CB 3.45Å; I157-A160 PolarHBondContact O-N 3.32Å; I157-Y163 HydrophobicContact CB-CD2 4.43Å; I157-Y163 HydrophobicContact CD1-CD2 4.46Å; I157-Y163 HydrophobicContact CD1-CE2 4.01Å; I157-Y163 WeakPolarHBondContact O-CB 3.47Å
158C86.6Confident85.5Confident23 Ų2349.9 Ų49.916%0.15530%0.301CS..G310 helixtrans-69.6-15.2-175.2-56.40000112.7L148 N149 N155 P156 Y163L148-C158 PolarHBondContact O-SG 3.31Å; N149-C158 HydrophobicContact CB-CB 4.4Å; N155-C158 VanDerWaalsContact O-CB 3.3Å; N155-C158 WeakPolarHBondContact O-CB 3.41Å; N155-C158 PolarHBondContact O-N 3.32Å; P156-C158 PolarHBondContact O-N 2.85Å; C158-Y163 HydrophobicContact CB-CD1 4.36Å; C158-Y163 HydrophobicContact CB-CE1 4.23Å
159I85.3Confident85.3Confident136 Ų13657.7 Ų57.770%0.69734%0.338SS*.G310 helixtrans-82-17.5176.4-56.8169.3000111P156 I157P156-I159 PolarHBondContact O-N 3.09Å; I157-I159 PolarHBondContact O-N 2.85Å
160A83.6Confident85.3Confident46 Ų4657.5 Ų57.538%0.3834%0.34SS..SBendtrans-69.1130.2-177.500000111.6I157 G162 Y163I157-A160 VanDerWaalsContact O-CB 3.31Å; I157-A160 WeakPolarHBondContact O-CB 3.45Å; I157-A160 PolarHBondContact O-N 3.32Å; A160-G162 PolarHBondContact O-N 3.33Å; A160-Y163 VanDerWaalsContact O-CB 3.32Å; A160-Y163 WeakPolarHBondContact O-CB 3.48Å; A160-Y163 PolarHBondContact O-N 3.04Å
161P79.3Confident85.4Confident129 Ų12953.8 Ų53.884%0.83832%0.323SS*.THydrogen-bonded Turntrans-63.9124.1-17926.4-34000110.5
162G82Confident85.8Confident31 Ų3152.5 Ų52.532%0.3232%0.321SS..THydrogen-bonded Turntrans82.37.1-176.900000115.3A160 W164 E165 I166A160-G162 PolarHBondContact O-N 3.33Å; G162-W164 PolarHBondContact O-N 3.28Å; G162-E165 PolarHBondContact O-N 2.88Å; G162-E165 VanDerWaalsContact O-N 3.15Å; G162-I166 WeakPolarHBondContact O-CB 3.43Å; G162-I166 WeakPolarHBondContact O-CD1 3.36Å; G162-I166 VanDerWaalsContact O-CG1 3.24Å; G162-I166 WeakPolarHBondContact O-CG1 3.12Å; G162-I166 PolarHBondContact O-N 2.86Å
163Y89.3Confident86.6Confident12 Ų1250.8 Ų50.85%0.04729%0.294CS..Hα-helixtrans-48.4-45.5175.6143-96.4000112.3I130 L133 L148 I157 C158 A160 I166 V167 D178I130-Y163 HydrophobicContact CD1-CD2 4.32Å; L133-Y163 HydrophobicContact CD2-CE2 4.4Å; L148-Y163 WeakPolarHBondContact CB-OH 3.41Å; L148-Y163 HydrophobicContact CD1-CE2 4.21Å; L148-Y163 WeakPolarHBondContact CD1-OH 3.46Å; I157-Y163 HydrophobicContact CB-CD2 4.43Å; I157-Y163 HydrophobicContact CD1-CD2 4.46Å; I157-Y163 HydrophobicContact CD1-CE2 4.01Å; I157-Y163 WeakPolarHBondContact O-CB 3.47Å; C158-Y163 HydrophobicContact CB-CD1 4.36Å; C158-Y163 HydrophobicContact CB-CE1 4.23Å; A160-Y163 VanDerWaalsContact O-CB 3.32Å; A160-Y163 WeakPolarHBondContact O-CB 3.48Å; A160-Y163 PolarHBondContact O-N 3.04Å; Y163-I166 PolarHBondContact O-N 3.38Å; Y163-V167 HydrophobicContact CD2-CG2 3.81Å; Y163-V167 HydrophobicContact CE2-CG2 3.72Å; Y163-V167 WeakPolarHBondContact O-CB 3.31Å; Y163-V167 VanDerWaalsContact O-CG2 3.3Å; Y163-V167 WeakPolarHBondContact O-CG2 3.25Å; Y163-V167 PolarHBondContact O-N 3.18Å; Y163-D178 WeakPolarHBondContact CE1-OD2 3.31Å; Y163-D178 PolarHBondContact OH-OD2 3.37Å
164W89.4Confident87.2Confident31 Ų3150.2 Ų50.212%0.11729%0.288CS..Hα-helixtrans-58.6-53.9178.4171.7-83.1000112G162 V167 M168 L177 D178 L180 R184G162-W164 PolarHBondContact O-N 3.28Å; W164-V167 PolarHBondContact O-N 3.35Å; W164-M168 HydrophobicContact CD2-CG 4.42Å; W164-M168 HydrophobicContact CH2-CE 3.88Å; W164-M168 HydrophobicContact CZ2-CE 3.64Å; W164-M168 HydrophobicContact CZ2-CG 3.99Å; W164-M168 WeakPolarHBondContact O-CB 3.47Å; W164-M168 WeakPolarHBondContact O-CG 3.48Å; W164-M168 PolarHBondContact O-N 3.3Å; W164-L177 HydrophobicContact CD2-CD2 4.29Å; W164-L177 HydrophobicContact CE3-CB 4.29Å; W164-L177 HydrophobicContact CE3-CD2 3.72Å; W164-L177 HydrophobicContact CE3-CG 4Å; W164-L177 HydrophobicContact CH2-CB 3.62Å; W164-L177 HydrophobicContact CH2-CD2 4.42Å; W164-L177 HydrophobicContact CH2-CG 4.24Å; W164-L177 WeakPolarHBondContact CH2-O 3.4Å; W164-L177 HydrophobicContact CZ3-CB 3.5Å; W164-L177 VanDerWaalsContact CZ3-CB 3.5Å; W164-L177 HydrophobicContact CZ3-CD2 3.81Å; W164-L177 HydrophobicContact CZ3-CG 3.61Å; W164-L177 WeakPolarHBondContact CZ3-O 3.44Å; W164-D178 HydrophobicContact CZ3-CB 4.21Å; W164-L180 HydrophobicContact CH2-CB 3.49Å; W164-L180 VanDerWaalsContact CH2-CB 3.49Å; W164-L180 HydrophobicContact CH2-CD1 4.38Å; W164-L180 HydrophobicContact CH2-CG 4.47Å; W164-L180 HydrophobicContact CZ2-CB 4.16Å; W164-L180 HydrophobicContact CZ3-CB 4.02Å; W164-L180 HydrophobicContact CZ3-CD1 4.3Å; W164-R184 VanDerWaalsContact CD1-CZ 3.46Å; W164-R184 HydrophobicContact CZ2-CG 4.22Å
165E88.1Confident87.2Confident86 Ų8649.2 Ų49.240%0.40229%0.286SS..Hα-helixtrans-59.1-49.1179.8-7379.217900110.6G162 V167 M168 E169 R184G162-E165 PolarHBondContact O-N 2.88Å; G162-E165 VanDerWaalsContact O-N 3.15Å; E165-V167 PolarHBondContact O-N 3.38Å; E165-M168 PolarHBondContact O-N 2.96Å; E165-E169 VanDerWaalsContact O-CB 3.25Å; E165-E169 WeakPolarHBondContact O-CB 3.49Å; E165-E169 PolarHBondContact O-N 2.87Å; E165-R184 IonicContact OE1-CZ 3.71Å; E165-R184 IonicContact OE1-NH1 3.75Å; E165-R184 PolarHBondContact OE1-NH1 3.36Å; E165-R184 IonicContact OE1-NH2 3.15Å; E165-R184 PolarHBondContact OE1-NH2 2.82Å; E165-R184 IonicContact OE2-NH2 3.76Å; E165-R184 PolarHBondContact OE2-NH2 2.76Å; E165-R184 VanDerWaalsContact OE2-NH2 3.12Å
166I89.2Confident87.2Confident70 Ų7050.3 Ų50.336%0.35929%0.293SS..Hα-helixtrans-60.1-45.4-179.5-65.9162.4000111.2I130 L134 G162 Y163 S170I130-I166 HydrophobicContact CD1-CB 3.93Å; I130-I166 HydrophobicContact CD1-CD1 4.26Å; I130-I166 HydrophobicContact CD1-CG2 3.58Å; I130-I166 HydrophobicContact CG1-CG2 4.29Å; L134-I166 HydrophobicContact CD1-CG2 4.17Å; G162-I166 WeakPolarHBondContact O-CB 3.43Å; G162-I166 WeakPolarHBondContact O-CD1 3.36Å; G162-I166 VanDerWaalsContact O-CG1 3.24Å; G162-I166 WeakPolarHBondContact O-CG1 3.12Å; G162-I166 PolarHBondContact O-N 2.86Å; Y163-I166 PolarHBondContact O-N 3.38Å; I166-S170 WeakPolarHBondContact O-CB 3.48Å; I166-S170 PolarHBondContact O-N 2.95Å; I166-S170 PolarHBondContact O-OG 3.4Å
167V89.6Confident87.3Confident0 Ų047.5 Ų47.50%028%0.275CS..Hα-helixtrans-68.5-42.8179.8173.50000111.4I130 L133 L134 Y163 W164 E165 L171 I174 L177I130-V167 HydrophobicContact CD1-CG2 4.17Å; I130-V167 HydrophobicContact CG1-CG2 4.42Å; L133-V167 HydrophobicContact CD2-CG2 3.85Å; L134-V167 HydrophobicContact CD2-CG2 4.37Å; Y163-V167 HydrophobicContact CD2-CG2 3.81Å; Y163-V167 HydrophobicContact CE2-CG2 3.72Å; Y163-V167 WeakPolarHBondContact O-CB 3.31Å; Y163-V167 VanDerWaalsContact O-CG2 3.3Å; Y163-V167 WeakPolarHBondContact O-CG2 3.25Å; Y163-V167 PolarHBondContact O-N 3.18Å; W164-V167 PolarHBondContact O-N 3.35Å; E165-V167 PolarHBondContact O-N 3.38Å; V167-L171 HydrophobicContact CG1-CD1 4.06Å; V167-L171 WeakPolarHBondContact O-CB 3.36Å; V167-L171 PolarHBondContact O-N 3.19Å; V167-I174 HydrophobicContact CG1-CD1 4.45Å; V167-L177 HydrophobicContact CB-CD2 3.95Å; V167-L177 HydrophobicContact CG1-CD1 4.31Å; V167-L177 HydrophobicContact CG1-CD2 3.68Å
168M88.6Confident87.2Confident10 Ų1048.7 Ų48.75%0.04928%0.282CS..Hα-helixtrans-74.8-26.4-178.2-71-66.8-111.300113.7W164 E165 I174 L177 R182W164-M168 HydrophobicContact CD2-CG 4.42Å; W164-M168 HydrophobicContact CH2-CE 3.88Å; W164-M168 HydrophobicContact CZ2-CE 3.64Å; W164-M168 HydrophobicContact CZ2-CG 3.99Å; W164-M168 WeakPolarHBondContact O-CB 3.47Å; W164-M168 WeakPolarHBondContact O-CG 3.48Å; W164-M168 PolarHBondContact O-N 3.3Å; E165-M168 PolarHBondContact O-N 2.96Å; M168-I174 HydrophobicContact SD-CB 4.37Å; M168-I174 HydrophobicContact SD-CG2 3.9Å; M168-L177 HydrophobicContact CE-CB 3.98Å; M168-L177 HydrophobicContact CG-CB 4.35Å; M168-L177 HydrophobicContact CG-CD2 3.89Å; M168-L177 HydrophobicContact SD-CB 3.77Å; M168-L177 HydrophobicContact SD-CD2 4.24Å; M168-R182 HydrophobicContact CE-CB 4.45Å; M168-R182 HydrophobicContact CE-CG 3.64Å; M168-R182 PolarHBondContact O-NH1 2.78Å; M168-R182 PolarHBondContact O-NH2 3.39Å
169E87.3Confident86.9Confident165 Ų16549.2 Ų49.277%0.77129%0.29SS*.Hα-helixtrans-77.4-44.4170.6-174.1169-160.500111.6E165E165-E169 VanDerWaalsContact O-CB 3.25Å; E165-E169 WeakPolarHBondContact O-CB 3.49Å; E165-E169 PolarHBondContact O-N 2.87Å
170S88.3Confident86.9Confident49 Ų4945.3 Ų45.334%0.34327%0.271SS..Hα-helixtrans-75.9-24.7-176.4-56.20000114.3I166 P172I166-S170 WeakPolarHBondContact O-CB 3.48Å; I166-S170 PolarHBondContact O-N 2.95Å; I166-S170 PolarHBondContact O-OG 3.4Å; S170-P172 WeakPolarHBondContact O-CD 3.22Å
171L88.3Confident86.9Confident1 Ų146 Ų461%0.00527%0.268CS..  trans-118.277.1-178.7-57.7179.3000111.1L134 L137 L138 V167 Q173 I174 R182L134-L171 HydrophobicContact CD2-CD1 3.95Å; L134-L171 HydrophobicContact CD2-CD2 4.19Å; L134-L171 HydrophobicContact CD2-CG 3.78Å; L137-L171 HydrophobicContact CB-CD1 3.62Å; L137-L171 HydrophobicContact CB-CD2 4.31Å; L137-L171 HydrophobicContact CD1-CD1 3.8Å; L137-L171 HydrophobicContact CG-CD1 4.35Å; L138-L171 HydrophobicContact CB-CD2 4.11Å; L138-L171 HydrophobicContact CD1-CD2 3.99Å; V167-L171 HydrophobicContact CG1-CD1 4.06Å; V167-L171 WeakPolarHBondContact O-CB 3.36Å; V167-L171 PolarHBondContact O-N 3.19Å; L171-Q173 PolarHBondContact O-N 2.99Å; L171-Q173 VanDerWaalsContact O-N 3.11Å; L171-I174 HydrophobicContact CB-CD1 3.77Å; L171-I174 HydrophobicContact CB-CG1 4.07Å; L171-I174 HydrophobicContact CD1-CD1 3.57Å; L171-I174 HydrophobicContact CG-CD1 4.34Å; L171-I174 PolarHBondContact O-N 3.43Å; L171-I174 VanDerWaalsContact O-N 3.15Å; L171-R182 PolarHBondContact O-NH2 3.41Å
172P83.2Confident86.9Confident97 Ų9745 Ų4563%0.6325%0.248SC*.THydrogen-bonded Turntrans-61.9-19.9-176.525.5-35.5000114.2S170 I174S170-P172 WeakPolarHBondContact O-CD 3.22Å; P172-I174 VanDerWaalsContact C-N 3.33Å
173Q87Confident86.7Confident36 Ų3649.5 Ų49.517%0.16826%0.264CS..THydrogen-bonded Turntrans-69.9-26.3177.169.3-842900113.7L137 L138 L143 L171L137-Q173 PolarHBondContact O-NE2 2.82Å; L138-Q173 PolarHBondContact O-NE2 3.39Å; L143-Q173 HydrophobicContact CB-CG 4.44Å; L143-Q173 CarbonylContact O-C 3.58Å; L171-Q173 PolarHBondContact O-N 2.99Å; L171-Q173 VanDerWaalsContact O-N 3.11Å
174I90.2Very high86.1Confident1 Ų154.9 Ų54.91%0.00528%0.284CS..  trans-74.9131.1179.3-60.8177.9000109.2L143 V146 V167 M168 L171 P172 V176 L177 R182L143-I174 HydrophobicContact CD2-CD1 4.44Å; L143-I174 HydrophobicContact CD2-CG1 4.41Å; L143-I174 HydrophobicContact CG-CG1 4.47Å; V146-I174 HydrophobicContact CB-CD1 4.29Å; V146-I174 HydrophobicContact CG2-CD1 3.63Å; V146-I174 HydrophobicContact CG2-CG1 4.21Å; V167-I174 HydrophobicContact CG1-CD1 4.45Å; M168-I174 HydrophobicContact SD-CB 4.37Å; M168-I174 HydrophobicContact SD-CG2 3.9Å; L171-I174 HydrophobicContact CB-CD1 3.77Å; L171-I174 HydrophobicContact CB-CG1 4.07Å; L171-I174 HydrophobicContact CD1-CD1 3.57Å; L171-I174 HydrophobicContact CG-CD1 4.34Å; L171-I174 PolarHBondContact O-N 3.43Å; L171-I174 VanDerWaalsContact O-N 3.15Å; P172-I174 VanDerWaalsContact C-N 3.33Å; I174-V176 VanDerWaalsContact CG2-O 3.25Å; I174-V176 WeakPolarHBondContact CG2-O 3.45Å; I174-L177 HydrophobicContact CG2-CB 4.37Å; I174-R182 VanDerWaalsContact O-CZ 3.25Å; I174-R182 PolarHBondContact O-NE 3.36Å; I174-R182 PolarHBondContact O-NH2 2.91Å
175S86.8Confident85.4Confident46 Ų4658.9 Ų58.932%0.32230%0.304SS..SBendtrans-99.9-39.8169.9550000111.8R144 D181 R182R144-S175 PolarHBondContact O-N 2.81Å; R144-S175 PolarHBondContact O-OG 2.77Å; R144-S175 VanDerWaalsContact O-OG 3.07Å; S175-D181 VanDerWaalsContact O-OD1 3.12Å; S175-R182 PolarHBondContact O-N 3.17Å
176V89.7Confident84.5Confident24 Ų2459.9 Ų59.915%0.14532%0.317CS..EExtended strand (participates in β ladder)trans-120.5126.9-178.9176.80000110.2R144 S145 V146 I174 L180R144-V176 PolarHBondContact O-N 3.44Å; S145-V176 VanDerWaalsContact CA-O 3.28Å; S145-V176 WeakPolarHBondContact CA-O 3.41Å; V146-V176 PolarHBondContact N-O 3.27Å; I174-V176 VanDerWaalsContact CG2-O 3.25Å; I174-V176 WeakPolarHBondContact CG2-O 3.45Å; V176-L180 VanDerWaalsContact CA-O 3.31Å; V176-L180 WeakPolarHBondContact CA-O 3.22Å; V176-L180 WeakPolarHBondContact CG1-O 3.03Å
177L90.6Very high83.1Confident0 Ų058.8 Ų58.80%032%0.316CS..EExtended strand (participates in β ladder)trans-122.5139171.2177.566.4000107.5V146 L148 W164 V167 M168 I174 G179 L180V146-L177 HydrophobicContact CB-CD1 3.85Å; V146-L177 HydrophobicContact CG1-CD1 3.85Å; V146-L177 CarbonylContact O-C 3.58Å; V146-L177 VanDerWaalsContact O-CA 3.28Å; V146-L177 WeakPolarHBondContact O-CA 3.22Å; L148-L177 HydrophobicContact CD1-CD1 4.34Å; W164-L177 HydrophobicContact CD2-CD2 4.29Å; W164-L177 HydrophobicContact CE3-CB 4.29Å; W164-L177 HydrophobicContact CE3-CD2 3.72Å; W164-L177 HydrophobicContact CE3-CG 4Å; W164-L177 HydrophobicContact CH2-CB 3.62Å; W164-L177 HydrophobicContact CH2-CD2 4.42Å; W164-L177 HydrophobicContact CH2-CG 4.24Å; W164-L177 WeakPolarHBondContact CH2-O 3.4Å; W164-L177 HydrophobicContact CZ3-CB 3.5Å; W164-L177 VanDerWaalsContact CZ3-CB 3.5Å; W164-L177 HydrophobicContact CZ3-CD2 3.81Å; W164-L177 HydrophobicContact CZ3-CG 3.61Å; W164-L177 WeakPolarHBondContact CZ3-O 3.44Å; V167-L177 HydrophobicContact CB-CD2 3.95Å; V167-L177 HydrophobicContact CG1-CD1 4.31Å; V167-L177 HydrophobicContact CG1-CD2 3.68Å; M168-L177 HydrophobicContact CE-CB 3.98Å; M168-L177 HydrophobicContact CG-CB 4.35Å; M168-L177 HydrophobicContact CG-CD2 3.89Å; M168-L177 HydrophobicContact SD-CB 3.77Å; M168-L177 HydrophobicContact SD-CD2 4.24Å; I174-L177 HydrophobicContact CG2-CB 4.37Å; L177-G179 PolarHBondContact O-N 3.23Å; L177-L180 PolarHBondContact N-O 2.75Å; L177-L180 PolarHBondContact O-N 3.37Å
178D88.9Confident80.9Confident30 Ų3063.6 Ų63.616%0.1635%0.35CS..THydrogen-bonded Turntrans48.535.2174.4-54.9-32.3000114.5V146 L148 N149 Y163 W164 L180V146-D178 PolarHBondContact O-N 2.91Å; L148-D178 WeakPolarHBondContact CA-OD1 3.28Å; L148-D178 PolarHBondContact N-OD1 2.84Å; N149-D178 HydrophobicContact CB-CB 4.23Å; N149-D178 PolarHBondContact N-OD1 3.19Å; Y163-D178 WeakPolarHBondContact CE1-OD2 3.31Å; Y163-D178 PolarHBondContact OH-OD2 3.37Å; W164-D178 HydrophobicContact CZ3-CB 4.21Å; D178-L180 VanDerWaalsContact C-N 3.26Å; D178-L180 PolarHBondContact O-N 3.29Å
179G81Confident78.7Confident33 Ų3369 Ų6934%0.3439%0.386SS..THydrogen-bonded Turntrans77.8-5.1-177.300000116L177 S187L177-G179 PolarHBondContact O-N 3.23Å; G179-S187 WeakPolarHBondContact O-CB 3.37Å; G179-S187 PolarHBondContact O-N 2.83Å; G179-S187 PolarHBondContact O-OG 2.98Å
180L85.1Confident76.4Confident55 Ų5564 Ų6429%0.28838%0.379SS..EExtended strand (participates in β ladder)trans-102.3143.6178.9-58.3177.5000111.8W164 V176 L177 D178 H185 P186W164-L180 HydrophobicContact CH2-CB 3.49Å; W164-L180 VanDerWaalsContact CH2-CB 3.49Å; W164-L180 HydrophobicContact CH2-CD1 4.38Å; W164-L180 HydrophobicContact CH2-CG 4.47Å; W164-L180 HydrophobicContact CZ2-CB 4.16Å; W164-L180 HydrophobicContact CZ3-CB 4.02Å; W164-L180 HydrophobicContact CZ3-CD1 4.3Å; V176-L180 VanDerWaalsContact CA-O 3.31Å; V176-L180 WeakPolarHBondContact CA-O 3.22Å; V176-L180 WeakPolarHBondContact CG1-O 3.03Å; L177-L180 PolarHBondContact N-O 2.75Å; L177-L180 PolarHBondContact O-N 3.37Å; D178-L180 VanDerWaalsContact C-N 3.26Å; D178-L180 PolarHBondContact O-N 3.29Å; L180-H185 WeakPolarHBondContact CA-O 3.2Å; L180-P186 HydrophobicContact CD2-CB 4.41Å
181D82.8Confident74Confident60 Ų6069 Ų6932%0.32140%0.4SS..EExtended strand (participates in β ladder)trans-79.8172.3171.2-173.119.1000111.5S175 L183 R184 H185S175-D181 VanDerWaalsContact O-OD1 3.12Å; D181-L183 PolarHBondContact O-N 3.37Å; D181-R184 WeakPolarHBondContact O-CA 3.45Å; D181-R184 PolarHBondContact O-N 2.84Å; D181-H185 PolarHBondContact N-O 3.17Å
182R80Confident71.6Confident109 Ų10972.4 Ų72.441%0.41142%0.424SS..THydrogen-bonded Turntrans-53.8-21.4175.7-74.9-177.6169.5-82-14114.5M168 L171 I174 S175M168-R182 HydrophobicContact CE-CB 4.45Å; M168-R182 HydrophobicContact CE-CG 3.64Å; M168-R182 PolarHBondContact O-NH1 2.78Å; M168-R182 PolarHBondContact O-NH2 3.39Å; L171-R182 PolarHBondContact O-NH2 3.41Å; I174-R182 VanDerWaalsContact O-CZ 3.25Å; I174-R182 PolarHBondContact O-NE 3.36Å; I174-R182 PolarHBondContact O-NH2 2.91Å; S175-R182 PolarHBondContact O-N 3.17Å
183L77.3Confident69.3Low124 Ų12471.3 Ų71.365%0.64942%0.419SS*.THydrogen-bonded Turntrans-89.77.6174.2-61.4177000114.3D181 H185D181-L183 PolarHBondContact O-N 3.37Å; L183-H185 PolarHBondContact O-N 3.36Å
184R77.4Confident67.3Low125 Ų12574.4 Ų74.447%0.47244%0.436SS..SBendtrans55.824.9-172.1-76.8-175.1161.8150-2.4114.6W164 E165 D181W164-R184 VanDerWaalsContact CD1-CZ 3.46Å; W164-R184 HydrophobicContact CZ2-CG 4.22Å; E165-R184 IonicContact OE1-CZ 3.71Å; E165-R184 IonicContact OE1-NH1 3.75Å; E165-R184 PolarHBondContact OE1-NH1 3.36Å; E165-R184 IonicContact OE1-NH2 3.15Å; E165-R184 PolarHBondContact OE1-NH2 2.82Å; E165-R184 IonicContact OE2-NH2 3.76Å; E165-R184 PolarHBondContact OE2-NH2 2.76Å; E165-R184 VanDerWaalsContact OE2-NH2 3.12Å; D181-R184 WeakPolarHBondContact O-CA 3.45Å; D181-R184 PolarHBondContact O-N 2.84Å
185H74.4Confident65.1Low116 Ų11679.3 Ų79.354%0.53746%0.461SS..PPolyproline II helixtrans-84.6142167.3-62.6-35000110.1L180 D181 L183 S187L180-H185 WeakPolarHBondContact CA-O 3.2Å; D181-H185 PolarHBondContact N-O 3.17Å; L183-H185 PolarHBondContact O-N 3.36Å; H185-S187 PolarHBondContact O-N 3.18Å; H185-S187 VanDerWaalsContact O-N 3.1Å
186P69.4Low62.9Low106 Ų10683.2 Ų83.269%0.68849%0.486SS*.BIsolated β-bridgetrans-59.5117169.326.4-33000108.5L180 S188L180-P186 HydrophobicContact CD2-CB 4.41Å; P186-S188 PolarHBondContact O-N 3.4Å
187S58.3Low61Low48 Ų4883.8 Ų83.834%0.33650%0.496SS..PPolyproline II helixtrans-61131.1171.861.70000107.8G179 H185G179-S187 WeakPolarHBondContact O-CB 3.37Å; G179-S187 PolarHBondContact O-N 2.83Å; G179-S187 PolarHBondContact O-OG 2.98Å; H185-S187 PolarHBondContact O-N 3.18Å; H185-S187 VanDerWaalsContact O-N 3.1Å
188S44.8Very low59.2Low100 Ų10087.8 Ų87.870%0.69952%0.517SS*.PPolyproline II helixtrans-57.7137.5174.951.40000108.3P186 G190P186-S188 PolarHBondContact O-N 3.4Å; S188-G190 PolarHBondContact O-N 2.77Å
189P41.4Very low57.4Low124 Ų12489.4 Ų89.481%0.80553%0.526SS*.  trans-59.3104.117823.8-32.9000107.9I191P189-I191 PolarHBondContact O-N 3.26Å
190G39.1Very low56.1Low61 Ų6191.1 Ų91.163%0.62953%0.527SS*.  trans-56.5134.4-174.300000108.8S188 S192S188-G190 PolarHBondContact O-N 2.77Å; G190-S192 PolarHBondContact O-N 2.82Å
191I38.3Very low54.5Low152 Ų15295 Ų9578%0.77954%0.539SS*.  trans-71.774.5-177.9-55.3178.1000108.5P189 S193P189-I191 PolarHBondContact O-N 3.26Å; I191-S193 PolarHBondContact O-N 3.36Å
192S37.2Very low53.2Low73 Ų7395 Ų9551%0.5154%0.541SS..  trans-7844.4175.8177.60000110.3K93 G190 D194K93-S192 PolarHBondContact NZ-OG 3.34Å; G190-S192 PolarHBondContact O-N 2.82Å; S192-D194 VanDerWaalsContact C-N 3.35Å; S192-D194 PolarHBondContact O-N 2.81Å; S192-D194 VanDerWaalsContact O-N 3.07Å
193S35.8Very low51.7Low75 Ų7592.5 Ų92.552%0.52454%0.536SS..  trans-63.4103.4152.7-570000106I191 I195I191-S193 PolarHBondContact O-N 3.36Å; S193-I195 PolarHBondContact O-N 3.13Å
194D44.8Very low50.6Low101 Ų10193.1 Ų93.154%0.5453%0.534SS..  trans-70.173.2-177.6-86.6-34.7000110.8K93 S192 P196K93-D194 IonicContact NZ-OD1 3.19Å; K93-D194 PolarHBondContact NZ-OD1 3.48Å; K93-D194 IonicContact NZ-OD2 3.64Å; K93-D194 PolarHBondContact NZ-OD2 2.79Å; S192-D194 VanDerWaalsContact C-N 3.35Å; S192-D194 PolarHBondContact O-N 2.81Å; S192-D194 VanDerWaalsContact O-N 3.07Å; D194-P196 VanDerWaalsContact O-CD 3.31Å; D194-P196 WeakPolarHBondContact O-CD 3.46Å
195I43.5Very low49.1Very low104 Ų10491.4 Ų91.453%0.53353%0.533SS..  trans-76.6114.2173.3-62.6175.5000107.6S193 G197 L198S193-I195 PolarHBondContact O-N 3.13Å; I195-G197 PolarHBondContact O-N 2.89Å; I195-G197 VanDerWaalsContact O-N 3.17Å; I195-L198 HydrophobicContact CB-CB 4.09Å; I195-L198 HydrophobicContact CB-CD2 4.47Å; I195-L198 HydrophobicContact CD1-CD2 4.41Å; I195-L198 HydrophobicContact CG2-CB 4.27Å; I195-L198 PolarHBondContact O-N 3.31Å; I195-L198 VanDerWaalsContact O-N 3.11Å
196P41.6Very low47.7Very low128 Ų12892.1 Ų92.183%0.83154%0.54SS*.THydrogen-bonded Turntrans-59.5122.3-177.6-25.236000111.6D194D194-P196 VanDerWaalsContact O-CD 3.31Å; D194-P196 WeakPolarHBondContact O-CD 3.46Å
197G49.6Very low46.5Very low35 Ų3591.8 Ų91.836%0.36154%0.54SS..THydrogen-bonded Turntrans93.4-10.618000000115.8I195 D200 Y201I195-G197 PolarHBondContact O-N 2.89Å; I195-G197 VanDerWaalsContact O-N 3.17Å; G197-D200 PolarHBondContact O-N 2.84Å; G197-Y201 WeakPolarHBondContact O-CB 3.45Å; G197-Y201 PolarHBondContact O-N 3.36Å
198L53.5Low45.7Very low84 Ų8493.4 Ų93.444%0.4455%0.552SS.*Hα-helixtrans-65.5-44.3174.5-178.463.7000111.3I195 D200 Y201 V202I195-L198 HydrophobicContact CB-CB 4.09Å; I195-L198 HydrophobicContact CB-CD2 4.47Å; I195-L198 HydrophobicContact CD1-CD2 4.41Å; I195-L198 HydrophobicContact CG2-CB 4.27Å; I195-L198 PolarHBondContact O-N 3.31Å; I195-L198 VanDerWaalsContact O-N 3.11Å; L198-D200 VanDerWaalsContact C-N 3.28Å; L198-D200 PolarHBondContact O-N 3.34Å; L198-Y201 WeakPolarHBondContact O-CB 3.19Å; L198-Y201 PolarHBondContact O-N 2.86Å; L198-V202 WeakPolarHBondContact O-CG2 2.85Å; L198-V202 PolarHBondContact O-N 3.03Å
199D51Low45.4Very low64 Ų6495.6 Ų95.634%0.34256%0.556SS.*Hα-helixtrans-62.2-37.7177.3-153.961.9000111.7K92 K118 Y201 V202 D203K92-D199 WeakPolarHBondContact CD-OD2 3.46Å; K92-D199 WeakPolarHBondContact CE-OD2 3.4Å; K92-D199 IonicContact NZ-OD2 3.58Å; K92-D199 PolarHBondContact NZ-OD2 3.38Å; K118-D199 IonicContact NZ-OD1 2.66Å; K118-D199 IonicContact NZ-OD2 2.97Å; K118-D199 PolarHBondContact NZ-OD2 3.48Å; D199-Y201 VanDerWaalsContact C-N 3.34Å; D199-V202 PolarHBondContact O-N 2.67Å; D199-D203 PolarHBondContact O-N 3.31Å
200D53.6Low45.1Very low70 Ų7096.3 Ų96.337%0.37456%0.558SS.*Hα-helixtrans-77.1-22.6-179.8-51.5-38.3000111.2R70 K92 G197 L198 F204R70-D200 IonicContact CZ-OD2 3.74Å; R70-D200 IonicContact NH1-OD1 2.75Å; R70-D200 IonicContact NH1-OD2 2.77Å; R70-D200 PolarHBondContact NH1-OD2 2.95Å; K92-D200 IonicContact NZ-OD1 2.67Å; K92-D200 PolarHBondContact NZ-OD1 3.31Å; G197-D200 PolarHBondContact O-N 2.84Å; L198-D200 VanDerWaalsContact C-N 3.28Å; L198-D200 PolarHBondContact O-N 3.34Å; D200-F204 WeakPolarHBondContact O-CB 3.11Å; D200-F204 PolarHBondContact O-N 3.18Å
201Y50.2Low44.8Very low136 Ų13699.2 Ų99.253%0.53357%0.568SS.*Hα-helixtrans-78.6-35.3169177.4-105.7000112.7G197 L198 D199 F204 L205G197-Y201 WeakPolarHBondContact O-CB 3.45Å; G197-Y201 PolarHBondContact O-N 3.36Å; L198-Y201 WeakPolarHBondContact O-CB 3.19Å; L198-Y201 PolarHBondContact O-N 2.86Å; D199-Y201 VanDerWaalsContact C-N 3.34Å; Y201-F204 WeakPolarHBondContact O-CB 3.37Å; Y201-F204 PolarHBondContact O-N 3.3Å; Y201-L205 HydrophobicContact CD1-CD1 4.02Å; Y201-L205 HydrophobicContact CE1-CD1 3.63Å; Y201-L205 HydrophobicContact CE1-CG 4.41Å; Y201-L205 WeakPolarHBondContact O-CG 3.17Å; Y201-L205 PolarHBondContact O-N 3.48Å
202V55.2Low44.7Very low61 Ų61103.3 Ų103.337%0.3758%0.576SS.*Hα-helixtrans-68.6-43.6172.9171.10000110.9L198 D199 F204 L205 L206L198-V202 WeakPolarHBondContact O-CG2 2.85Å; L198-V202 PolarHBondContact O-N 3.03Å; D199-V202 PolarHBondContact O-N 2.67Å; V202-F204 VanDerWaalsContact C-N 3.25Å; V202-F204 PolarHBondContact O-N 2.86Å; V202-L205 PolarHBondContact O-N 3.42Å; V202-L206 HydrophobicContact CG1-CD1 3.91Å; V202-L206 HydrophobicContact CG1-CG 4.43Å; V202-L206 WeakPolarHBondContact O-CG 3.4Å; V202-L206 PolarHBondContact O-N 2.75Å
203D50Low44.7Very low55 Ų55103.5 Ų103.529%0.29459%0.589SS.*Hα-helixtrans-61.8-33.8173.7-70.9-22000111.3K118 D199 S207K118-D203 IonicContact NZ-OD1 2.79Å; K118-D203 PolarHBondContact NZ-OD1 3.31Å; K118-D203 IonicContact NZ-OD2 3.89Å; K118-D203 PolarHBondContact NZ-OD2 2.81Å; D199-D203 PolarHBondContact O-N 3.31Å; D203-S207 WeakPolarHBondContact O-CB 3.37Å; D203-S207 PolarHBondContact O-N 2.86Å; D203-S207 PolarHBondContact O-OG 3.41Å
204F53.5Low44.4Very low138 Ų138109.3 Ų109.361%0.60561%0.608SS**Hα-helixtrans-66.5-43.8172.4174.7-96000113D200 Y201 V202 S207 S208D200-F204 WeakPolarHBondContact O-CB 3.11Å; D200-F204 PolarHBondContact O-N 3.18Å; Y201-F204 WeakPolarHBondContact O-CB 3.37Å; Y201-F204 PolarHBondContact O-N 3.3Å; V202-F204 VanDerWaalsContact C-N 3.25Å; V202-F204 PolarHBondContact O-N 2.86Å; F204-S207 PolarHBondContact O-N 3.23Å; F204-S208 PolarHBondContact O-OG 2.88Å
205L45.8Very low44.3Very low88 Ų88109.3 Ų109.346%0.46162%0.622SS.*Hα-helixtrans-63.2-44.3175.4-72.4170.5000111.6Y201 V202 S207 S208Y201-L205 HydrophobicContact CD1-CD1 4.02Å; Y201-L205 HydrophobicContact CE1-CD1 3.63Å; Y201-L205 HydrophobicContact CE1-CG 4.41Å; Y201-L205 WeakPolarHBondContact O-CG 3.17Å; Y201-L205 PolarHBondContact O-N 3.48Å; V202-L205 PolarHBondContact O-N 3.42Å; L205-S207 PolarHBondContact O-N 2.73Å; L205-S208 VanDerWaalsContact O-CB 3.27Å; L205-S208 WeakPolarHBondContact O-CB 3.43Å; L205-S208 PolarHBondContact O-N 3.16Å; L205-S208 PolarHBondContact O-OG 3.3Å
206L46.2Very low43.7Very low131 Ų131111.1 Ų111.169%0.68664%0.638SS**Hα-helixtrans-68.4-21.9177.9-68.4171.7000113.4V202 S208V202-L206 HydrophobicContact CG1-CD1 3.91Å; V202-L206 HydrophobicContact CG1-CG 4.43Å; V202-L206 WeakPolarHBondContact O-CG 3.4Å; V202-L206 PolarHBondContact O-N 2.75Å; L206-S208 PolarHBondContact O-N 2.82Å
207S44.3Very low43.7Very low99 Ų99116.9 Ų116.969%0.69264%0.643SS**THydrogen-bonded Turntrans-76.80.7174.2-59.80000114D203 F204 L205D203-S207 WeakPolarHBondContact O-CB 3.37Å; D203-S207 PolarHBondContact O-N 2.86Å; D203-S207 PolarHBondContact O-OG 3.41Å; F204-S207 PolarHBondContact O-N 3.23Å; L205-S207 PolarHBondContact O-N 2.73Å
208S39.8Very low42.9Very low82 Ų82118.2 Ų118.257%0.57366%0.657SS**THydrogen-bonded Turntrans-89.2-14.9-171.5-610000115F204 L205 L206F204-S208 PolarHBondContact O-OG 2.88Å; L205-S208 VanDerWaalsContact O-CB 3.27Å; L205-S208 WeakPolarHBondContact O-CB 3.43Å; L205-S208 PolarHBondContact O-N 3.16Å; L205-S208 PolarHBondContact O-OG 3.3Å; L206-S208 PolarHBondContact O-N 2.82Å
209D38.7Very low41.9Very low146 Ų146120.9 Ų120.978%0.78168%0.677SS**  trans-111.489.7-176.3-88.9-46.2000112.9
210T36Very low40.8Very low139 Ų139124.2 Ų124.285%0.85370%0.699SS**  -175.8150.1128.919.30000113.8
211S33.3Very low39.8Very low122 Ų122127.2 Ų127.285%0.85372%0.72SS**  trans74.9157.616981.80000117.9
212Y34.9Very low38.9Very low239 Ų239126.5 Ų126.594%0.93773%0.73SS**  trans-102.3120.7-162.1-128.3-112.8000111.9
213G36.8Very low38.3Very low76 Ų76129.6 Ų129.678%0.78475%0.752SS**  trans48.1108.4143.400000121
214E29.9Very low37.9Very low197 Ų197136.8 Ų136.892%0.92177%0.774SS**  trans-140.3152.9131.4-145.9174.1-162.100110.9
215A42.3Very low37.3Very low102 Ų102136.6 Ų136.684%0.84378%0.778SS**  trans-99.399-166.700000112.9
216V31.6Very low37.2Very low141 Ų141136.9 Ų136.986%0.85578%0.781SS**  trans-110.4131.3171.4-176.80000111G218V216-G218 PolarHBondContact O-N 3.5Å
217R42.5Very low37.2Very low249 Ų249139 Ų13994%0.9478%0.784SS**  trans-88.193.8-169.8-173.1-173.4-62.2-169.81111.7
218G31Very low37.2Very low64 Ų64137.3 Ų137.366%0.6678%0.776SS**  trans-115.7130.3173.900000113V216V216-G218 PolarHBondContact O-N 3.5Å
219T33Very low37.3Very low140 Ų140137.9 Ų137.986%0.85977%0.772SS**  trans-84.6119.5179.947.10000112.3
220V27.6Very low37.7Very low134 Ų134134.9 Ų134.981%0.81276%0.76SS**  trans-102.8111.41731800000110.2
221T33.2Very low38Very low132 Ų132135.1 Ų135.181%0.8175%0.751SS**PPolyproline II helixtrans-95.7118166.244.60000110.3
222T31.7Very low38.4Very low121 Ų121136.1 Ų136.174%0.74274%0.74SS**PPolyproline II helixtrans-69.9135.217343.60000111.5
223P42.8Very low38.8Very low127 Ų127133.7 Ų133.783%0.82573%0.729SS**PPolyproline II helixtrans-74.5135.4176.129.8-33.4000111
224R40.7Very low39.1Very low205 Ų205137.7 Ų137.777%0.77473%0.728SS**PPolyproline II helixtrans-80140.5-178.2-67.4-174.2-179.5174.9-1.8113.1D226R224-D226 WeakPolarHBondContact CB-OD2 3.19Å; R224-D226 WeakPolarHBondContact CD-OD2 3.26Å; R224-D226 PolarHBondContact O-N 2.95Å
225I42.2Very low39.5Very low134 Ų134135.1 Ų135.169%0.68772%0.716SS**THydrogen-bonded Turntrans-61-23.2177.1-68.8166.1000112.7K227 A228 L229I225-K227 PolarHBondContact O-N 2.79Å; I225-A228 PolarHBondContact O-N 3.33Å; I225-A228 VanDerWaalsContact O-N 3.09Å; I225-L229 HydrophobicContact CG2-CD1 4.07Å; I225-L229 HydrophobicContact CG2-CG 4.4Å
226D43.5Very low39.5Very low95 Ų95136.4 Ų136.451%0.50871%0.707SS.*Hα-helixtrans-56.4-27.6-174.6-50.4-45.7000114.9R224 T230R224-D226 WeakPolarHBondContact CB-OD2 3.19Å; R224-D226 WeakPolarHBondContact CD-OD2 3.26Å; R224-D226 PolarHBondContact O-N 2.95Å; D226-T230 PolarHBondContact O-N 2.82Å; D226-T230 PolarHBondContact O-OG1 3.33Å
227K45.3Very low39.8Very low175 Ų175134 Ų13476%0.76170%0.702SS**Hα-helixtrans-72.9-29.3178.8-96.6-171.9173.4-176.90113.9I225 T230I225-K227 PolarHBondContact O-N 2.79Å; K227-T230 WeakPolarHBondContact CA-OG1 3.44Å; K227-T230 PolarHBondContact O-OG1 3.08Å
228A43.8Very low39.4Very low64 Ų64126.1 Ų126.153%0.52969%0.685SS.*Hα-helixtrans-73-41.6173.800000110.9I225 T230 Q231 F232I225-A228 PolarHBondContact O-N 3.33Å; I225-A228 VanDerWaalsContact O-N 3.09Å; A228-T230 PolarHBondContact O-N 3Å; A228-Q231 PolarHBondContact O-N 2.8Å; A228-F232 PolarHBondContact O-N 2.87Å
229L41.8Very low39.5Very low93 Ų93132.1 Ų132.149%0.48770%0.696SS.*Hα-helixtrans-69.3-15.8-179.2-68.3173.9000114.4I225 R233I225-L229 HydrophobicContact CG2-CD1 4.07Å; I225-L229 HydrophobicContact CG2-CG 4.4Å; L229-R233 WeakPolarHBondContact O-CD 3.47Å; L229-R233 WeakPolarHBondContact O-CG 3.48Å; L229-R233 PolarHBondContact O-NE 3.02Å
230T47Very low39.3Very low84 Ų84135.3 Ų135.352%0.51570%0.698SS.*Hα-helixtrans-87.3-41.5173.526.90000112.3D226 K227 A228 R233D226-T230 PolarHBondContact O-N 2.82Å; D226-T230 PolarHBondContact O-OG1 3.33Å; K227-T230 WeakPolarHBondContact CA-OG1 3.44Å; K227-T230 PolarHBondContact O-OG1 3.08Å; A228-T230 PolarHBondContact O-N 3Å; T230-R233 PolarHBondContact O-N 2.88Å
231Q43.9Very low39.3Very low144 Ų144135.2 Ų135.267%0.67370%0.698SS**Hα-helixtrans-63.2-43176.4-71-176.3-28.900111.9A228 R233 Q234A228-Q231 PolarHBondContact O-N 2.8Å; Q231-R233 PolarHBondContact O-N 3Å; Q231-Q234 PolarHBondContact O-N 2.98Å; Q231-Q234 VanDerWaalsContact O-N 3.16Å
232F41.1Very low39.2Very low142 Ų142134.4 Ų134.462%0.62369%0.693SS**Hα-helixtrans-61.9-27178.5-165-102.2000113.6A228 I236A228-F232 PolarHBondContact O-N 2.87Å; F232-I236 HydrophobicContact CD1-CD1 4.3Å; F232-I236 HydrophobicContact CE1-CD1 3.96Å
233R43.3Very low39.1Very low188 Ų188135 Ų13571%0.70969%0.691SS**Hα-helixtrans-80.3-20.5178.9-70.3177.6-163.9-121.73.3113.8L229 T230 Q231L229-R233 WeakPolarHBondContact O-CD 3.47Å; L229-R233 WeakPolarHBondContact O-CG 3.48Å; L229-R233 PolarHBondContact O-NE 3.02Å; T230-R233 PolarHBondContact O-N 2.88Å; Q231-R233 PolarHBondContact O-N 3Å
234Q43.7Very low38.5Very low160 Ų160135.7 Ų135.775%0.74869%0.694SS**Hα-helixtrans-84.5-19.7178.2-79.3-175.5-33.800113.7Q231Q231-Q234 PolarHBondContact O-N 2.98Å; Q231-Q234 VanDerWaalsContact O-N 3.16Å
235Q38.5Very low38Very low143 Ų143130.2 Ų130.267%0.66869%0.692SS**THydrogen-bonded Turntrans-83.5-8.7177.5-82.4-175.6-60.800115.3
236I40.9Very low37.4Very low130 Ų130130.5 Ų130.567%0.66770%0.7SS**THydrogen-bonded Turntrans-90.5-3.9-178.9-63.4175.9000111.9F232F232-I236 HydrophobicContact CD1-CD1 4.3Å; F232-I236 HydrophobicContact CE1-CD1 3.96Å
237A38Very low36.5Very low90 Ų90129.4 Ų129.474%0.74471%0.711SS**SBendtrans-108.431.8-175.300000114.1
238S34.7Very low37Very low84 Ų84127 Ų12759%0.58771%0.714SS**SBendtrans-147142.9173.755.50000112.4
239E32.3Very low36.2Very low190 Ų190129.7 Ų129.789%0.88872%0.723SS**  trans71.977.3163.8-61.4-177.6173.300119
240K29Very low35.5Very low207 Ų207131.5 Ų131.590%0.974%0.738SS**  -125.8140.2116.9-77.8-169.5176.9-173.70107.1
241T28.6Very low34.5Very low131 Ų131135.9 Ų135.980%0.80475%0.753SS**  cis-133.4162.47.552.40000111.7
242T29.5Very low34.8Very low116 Ų116134.1 Ų134.171%0.71275%0.754SS**  trans-71161.8156.851.80000109.8
243D29.6Very low34.1Very low133 Ų133132.9 Ų132.971%0.71176%0.758SS**  -170.7141.679.8-85.6-20.8000114.2
244T30.7Very low33.3Very low142 Ų142133.9 Ų133.987%0.87176%0.761SS**  trans64140.3149.454.80000122.8
245A30.9Very low32.6Very low89 Ų89133.3 Ų133.374%0.73676%0.759SS**  trans-80.2171.4168.100000110.6
246T29.1Very low31.9Very low141 Ų141133.3 Ų133.387%0.86576%0.763SS**  cis-152.415546.834.50000113.5
247G25.8Very low31.3Very low71 Ų71132.1 Ų132.173%0.73277%0.766SS**  trans-91.2-152.8173.200000113.6
248P54.9Low30.8Very low126 Ų126136.4 Ų136.482%0.81877%0.771SS**  cis-134.6-154.13.338.7-17.9000113.9
249V27.2Very low31.8Very low119 Ų119137.8 Ų137.872%0.72178%0.778SS**  trans117.6129.8155.4-175.70000117.8
250T27.7Very low31.3Very low132 Ų132135.4 Ų135.481%0.8178%0.776SS**  trans65.7122.3166.439.60000122.9
251Q25.9Very low31.4Very low176 Ų176131 Ų13182%0.82277%0.77SS**  trans-75.8-168.2148.7-42.9173.7-24.200110.1
252P49.1Very low31.9Very low106 Ų106130.6 Ų130.669%0.68877%0.77SS**  cis-131.6-172-16.122.42.3000113.5
253V26.5Very low32.2Very low117 Ų117131 Ų13171%0.70977%0.772SS**  142.8116.4126.6169.50000113.5
254R26.5Very low32.2Very low209 Ų209130.3 Ų130.379%0.78977%0.773SS**  trans37.5150.4137.6-58178.8176.9-172.40.6120.6
255Q28.7Very low31.9Very low148 Ų148130.1 Ų130.169%0.69277%0.771SS**  cis-160.7169.47-128.5158.3-32.800112.2
256N24.8Very low31.8Very low142 Ų142131.1 Ų131.176%0.75977%0.768SS**  trans-15.7152.1149.6-63.114.5000117.5
257S28.7Very low31.9Very low105 Ų105129.4 Ų129.473%0.73476%0.762SS**  cis-169.8163.75.534.70000113.9
258Q27.3Very low33.3Very low181 Ų181131.7 Ų131.785%0.84676%0.764SS**  trans-8.7162.9148.4-67-177.7-24.800120.4
259P54.5Low32.3Very low113 Ų113133 Ų13373%0.73476%0.764SS**  cis-142.6-159.5-41.841.6-22.5000112.2
260V22.7Very low33.6Very low139 Ų139132 Ų13284%0.84276%0.76SS**  trans126.5145.4159.1175.90000114.2
261C31Very low34.5Very low115 Ų115132.4 Ų132.478%0.77776%0.756SS**  trans-58.5167.4178-60.80000113.8
262P39.7Very low35.4Very low123 Ų123130.1 Ų130.180%0.79975%0.749SS**  cis-148.1-148.631.945.4-23000116.5
263T34.7Very low35.4Very low125 Ų125131.4 Ų131.477%0.76775%0.746SS**  trans-69.1169.4-176.542.50000117
264V29.4Very low36.5Very low118 Ų118131.5 Ų131.572%0.71574%0.739SS**  trans100112.6162.3-174.50000116.5V266V264-V266 HydrophobicContact CG1-CG2 4.08Å
265T25.5Very low37.5Very low137 Ų137131 Ų13184%0.8474%0.737SS**  trans-178.1137.5135.221.70000106.5
266V28.5Very low38.7Very low110 Ų110129 Ų12967%0.66773%0.73SS**  cis116.610813.8166.30000111.4V264V264-V266 HydrophobicContact CG1-CG2 4.08Å
267S31.8Very low39.8Very low106 Ų106129.8 Ų129.874%0.74172%0.722SS**  trans59149.2158.654.10000121.9
268P53.8Low40.9Very low119 Ų119130.1 Ų130.177%0.77371%0.711SS**  trans-92.4171.5172.439.9-36.1000112.7
269D35.6Very low41.9Very low152 Ų152126.8 Ų126.881%0.81370%0.698SS**  trans-156.3167.6165.1-129.722.1000111.4
270P53.1Low41.6Very low98 Ų98127.6 Ų127.664%0.63669%0.692SS**  -139.678.4-105.640.3-19.7000114.7
271I47.4Very low42.8Very low141 Ų141126.5 Ų126.572%0.72368%0.677SS**SBendtrans-110.4-21.5-170.6-64.7179.8000115.2
272N44.1Very low43.6Very low129 Ų129127 Ų12769%0.6967%0.668SS**SBendtrans-97.7-23-170.1-75.3-26.4000116.5
273E49.6Very low44Very low132 Ų132126.4 Ų126.462%0.61766%0.662SS**Hα-helixtrans-69.7-37.5176.9-70.9-151.215200112.8R275 I276 R277E273-R275 PolarHBondContact O-N 3.49Å; E273-I276 PolarHBondContact O-N 3.43Å; E273-R277 PolarHBondContact O-N 3.45Å; E273-R277 IonicContact OE2-CZ 2.87Å; E273-R277 IonicContact OE2-NH1 3.01Å; E273-R277 IonicContact OE2-NH2 2.65Å; E273-R277 PolarHBondContact OE2-NH2 2.93Å
274E49.8Very low44.6Very low120 Ų120124.7 Ų124.756%0.56166%0.655SS**Hα-helixtrans-70.9-17.7-172.8-140.3-149.6156.100113.1K278E274-K278 WeakPolarHBondContact O-CD 3.48Å; E274-K278 WeakPolarHBondContact O-CG 3.5Å; E274-K278 WeakPolarHBondContact OE1-CE 3.44Å; E274-K278 IonicContact OE1-NZ 2.71Å; E274-K278 PolarHBondContact OE1-NZ 3.31Å; E274-K278 IonicContact OE2-NZ 3.63Å; E274-K278 PolarHBondContact OE2-NZ 2.99Å; E274-K278 VanDerWaalsContact OE2-NZ 3.16Å
275R46.6Very low45.4Very low197 Ų197125.1 Ų125.174%0.74365%0.649SS**Hα-helixtrans-82.7-26.3177.4-163171-175.3169.21.2112.9E273E273-R275 PolarHBondContact O-N 3.49Å
276I53.5Low46.1Very low108 Ų108126.1 Ų126.155%0.55465%0.649SS**Hα-helixtrans-77.9-48.6178.3-64.6173.8000109.9E273 K278 L279E273-I276 PolarHBondContact O-N 3.43Å; I276-K278 PolarHBondContact O-N 3.34Å; I276-K278 VanDerWaalsContact O-N 3.12Å; I276-L279 PolarHBondContact O-N 3.2Å
277R49.1Very low47Very low157 Ų157127.9 Ų127.959%0.59265%0.653SS**Hα-helixtrans-58.9-26.9178-65.8-174.1-174.9134.318113.6E273 H281E273-R277 PolarHBondContact O-N 3.45Å; E273-R277 IonicContact OE2-CZ 2.87Å; E273-R277 IonicContact OE2-NH1 3.01Å; E273-R277 IonicContact OE2-NH2 2.65Å; E273-R277 PolarHBondContact OE2-NH2 2.93Å; R277-H281 PolarHBondContact O-N 2.98Å
278K51.9Low47.3Very low113 Ų113130.9 Ų130.949%0.49166%0.655SS.*Hα-helixtrans-74.9-21.8178.4-75.8172.3-174165.70114.1E274 I276 Q282E274-K278 WeakPolarHBondContact O-CD 3.48Å; E274-K278 WeakPolarHBondContact O-CG 3.5Å; E274-K278 WeakPolarHBondContact OE1-CE 3.44Å; E274-K278 IonicContact OE1-NZ 2.71Å; E274-K278 PolarHBondContact OE1-NZ 3.31Å; E274-K278 IonicContact OE2-NZ 3.63Å; E274-K278 PolarHBondContact OE2-NZ 2.99Å; E274-K278 VanDerWaalsContact OE2-NZ 3.16Å; I276-K278 PolarHBondContact O-N 3.34Å; I276-K278 VanDerWaalsContact O-N 3.12Å; K278-Q282 WeakPolarHBondContact O-CG 3.47Å
279L48.3Very low46.4Very low111 Ų111135.1 Ų135.158%0.58167%0.665SS**Hα-helixtrans-85.3-40176.2-76.5167000112.4I276 H281 Q282 V283I276-L279 PolarHBondContact O-N 3.2Å; L279-H281 VanDerWaalsContact C-N 3.26Å; L279-H281 PolarHBondContact O-N 3.46Å; L279-Q282 PolarHBondContact O-N 3.33Å; L279-V283 PolarHBondContact O-N 3.49Å
280E47.8Very low46.5Very low130 Ų130132.2 Ų132.261%0.60766%0.662SS**Hα-helixtrans-63.8-33.3177.9-62.8178.913800112.1S284E280-S284 PolarHBondContact O-N 3.16Å; E280-S284 PolarHBondContact O-OG 3.32Å
281H48.5Very low46.1Very low116 Ų116133.7 Ų133.754%0.53767%0.672SS.*Hα-helixtrans-70.5-32.6176.2-157.470.5000113.1R277 L279 S284 Q285R277-H281 PolarHBondContact O-N 2.98Å; L279-H281 VanDerWaalsContact C-N 3.26Å; L279-H281 PolarHBondContact O-N 3.46Å; H281-S284 PolarHBondContact O-N 2.87Å; H281-Q285 PolarHBondContact CD2-NE2 3.49Å; H281-Q285 PolarHBondContact NE2-NE2 2.82Å; H281-Q285 PolarHBondContact O-N 3.35Å
282Q46.3Very low45.3Very low125 Ų125131.9 Ų131.958%0.58468%0.678SS**Hα-helixtrans-73-35.6-179.8-75.9-179.4-21.100113K278 L279 S284 Q285K278-Q282 WeakPolarHBondContact O-CG 3.47Å; L279-Q282 PolarHBondContact O-N 3.33Å; Q282-S284 VanDerWaalsContact C-N 3.29Å; Q282-S284 PolarHBondContact O-N 2.88Å; Q282-Q285 PolarHBondContact O-N 2.91Å
283V48.2Very low44.5Very low110 Ų110129.1 Ų129.167%0.66768%0.679SS**Hα-helixtrans-67.8-33.5173.6-177.90000111.1L279 Q285L279-V283 PolarHBondContact O-N 3.49Å; V283-Q285 VanDerWaalsContact C-N 3.3Å; V283-Q285 PolarHBondContact O-N 3.3Å
284S48.8Very low43.6Very low90 Ų90130.5 Ų130.563%0.62969%0.686SS**Hα-helixtrans-69.5-21.7-179.4-58.30000114.1E280 H281 Q282E280-S284 PolarHBondContact O-N 3.16Å; E280-S284 PolarHBondContact O-OG 3.32Å; H281-S284 PolarHBondContact O-N 2.87Å; Q282-S284 VanDerWaalsContact C-N 3.29Å; Q282-S284 PolarHBondContact O-N 2.88Å
285Q44.8Very low42.7Very low126 Ų126133 Ų13359%0.58970%0.695SS**THydrogen-bonded Turntrans-89.8-12.4-175.9-73.5-176.3-10.400114.7H281 Q282 V283 I287H281-Q285 PolarHBondContact CD2-NE2 3.49Å; H281-Q285 PolarHBondContact NE2-NE2 2.82Å; H281-Q285 PolarHBondContact O-N 3.35Å; Q282-Q285 PolarHBondContact O-N 2.91Å; V283-Q285 VanDerWaalsContact C-N 3.3Å; V283-Q285 PolarHBondContact O-N 3.3Å; Q285-I287 VanDerWaalsContact C-N 3.34Å; Q285-I287 PolarHBondContact O-N 3.03Å
286L40.3Very low41.8Very low158 Ų158128.2 Ų128.283%0.82770%0.697SS**THydrogen-bonded Turntrans-86.68.1-177-80.7170.4000115.3
287I47.9Very low40.7Very low148 Ų148128 Ų12876%0.75971%0.705SS**THydrogen-bonded Turntrans-113.4-5.2-177.3-68.4179.2000113.2Q285Q285-I287 VanDerWaalsContact C-N 3.34Å; Q285-I287 PolarHBondContact O-N 3.03Å
288Q38.1Very low39.8Very low169 Ų169128 Ų12879%0.7972%0.715SS**  trans-141.692.3175.6-70.6-168.5-1.900114.8
289Q33.8Very low38.6Very low207 Ų207127.5 Ų127.597%0.96773%0.726SS**  trans-163.9146.4138.4-107.1159.953.700109.7
290A39.1Very low37.7Very low92 Ų92127.7 Ų127.776%0.7673%0.732SS**  trans-119.8174.8-169.700000112.2
291P44.3Very low37Very low129 Ų129132.3 Ų132.384%0.83875%0.746SS**  -138.6178.9107.238.3-26.7000114.9
292A30.5Very low36.2Very low103 Ų103131.6 Ų131.685%0.85176%0.76SS**  trans-72.6162.9178.700000113.4
293G28.1Very low35.3Very low70 Ų70134.3 Ų134.372%0.72277%0.773SS**  cis128.5156-1.600000113
294E29.9Very low34.4Very low161 Ų161134.6 Ų134.675%0.75278%0.775SS**  trans-150128.3167.2-100.6-156.8134.700115.6
295K31.4Very low33.5Very low174 Ų174139.3 Ų139.376%0.75778%0.784SS**  trans48.4130.7142.8-65.5167.9-174.7157.10123.3
296A28.2Very low32.7Very low95 Ų95139.6 Ų139.679%0.78579%0.794SS**  trans87.6138.2149.200000119.4
297S29.3Very low32.2Very low103 Ų103143 Ų14372%0.7280%0.796SS**  cis-169153.8-15.6-99.80000110.4
298I29.9Very low31.3Very low158 Ų158145.3 Ų145.381%0.8180%0.8SS**  trans68109.2164.1-60.6151.8000114.1
299S28.1Very low31Very low102 Ų102141.7 Ų141.771%0.71380%0.8SS**  60136.775-151.60000113.4
300T29.7Very low31.1Very low116 Ų116141.1 Ų141.171%0.71279%0.794SS**  cis-157.6154.126.7-39.60000111.4
301Y31.3Very low30.8Very low226 Ų226147.6 Ų147.689%0.88680%0.799SS**  trans-4.6128.6166.4-75.1-104.2000121.7
302A31.5Very low30.4Very low102 Ų102147.4 Ų147.484%0.84379%0.791SS**  -175.2151.7120.800000113.1
303Q29.1Very low30.3Very low181 Ų181149.3 Ų149.385%0.84679%0.792SS**  trans-104.4163.6171.3-60.7174.4-2300109.1
304T27.9Very low30.5Very low117 Ų117153 Ų15372%0.71880%0.795SS**  cis-167.4170.628.1-22.10000112.3
305K30.7Very low30.7Very low189 Ų189153.9 Ų153.982%0.82280%0.799SS**  trans78.569.6150.7-73176.8-178.5176.60123
306V28.4Very low30.6Very low132 Ų132151.1 Ų151.180%0.880%0.797SS**  19.1136.6123.9-1540000123.1
307R30.2Very low30.7Very low230 Ų230151.5 Ų151.587%0.86879%0.794SS**  trans129.9119.8143-71.7-173.8-179.9-170.3-1.5112.1
308K27.4Very low30.8Very low195 Ų195155.5 Ų155.585%0.84880%0.801SS**  61.6109.654.3-69.5-167.4174.2-175.70113
309A32.2Very low30.7Very low94 Ų94152.6 Ų152.678%0.77780%0.795SS**  70.7112.665.300000112
310K36.7Very low30.9Very low194 Ų194155.8 Ų155.884%0.84380%0.799SS**  88.2106.554.9-152.8-164.7-167.9-150.50113.4
311R31.9Very low30.7Very low229 Ų229155.3 Ų155.386%0.86480%0.799SS**  trans-160.3142.4154.4-91.8-175.9179.4166.8-0.5106
312D36Very low30.6Very low125 Ų125152.4 Ų152.467%0.66880%0.799SS**  cis91110.136.5-53-22.2000112.7
313T29.6Very low30.7Very low142 Ų142150.6 Ų150.687%0.87179%0.79SS**  trans-152.9145.6161.9-40.30000109.4
314D31.8Very low30.8Very low148 Ų148149.3 Ų149.379%0.79178%0.782SS**  trans-103.7-166.7-167.6-59.4-76.1000115.8
315Q33Very low31Very low179 Ų179150.2 Ų150.284%0.83678%0.778SS**  trans95.7136.2159-55.1-171.33.700116.7
316T30.7Very low31Very low116 Ų116147.8 Ų147.871%0.71277%0.774SS**  cis-162.1153.32.74.20000114.5
317S29.6Very low31.1Very low103 Ų103147.9 Ų147.972%0.7276%0.763SS**  trans78.9161.7139.1-62.50000124.3
318E30.3Very low31.1Very low187 Ų187146 Ų14687%0.87476%0.762SS**  trans75.4120.9174.8-62.8169.3-151.600115.3
319S29.4Very low31.2Very low98 Ų98145.2 Ų145.269%0.68576%0.761SS**  73.4125.856175.60000112.1
320E31.3Very low31Very low169 Ų169148 Ų14879%0.7977%0.769SS**  cis-160.9178.8-7-121.3161.2141.600110.7
321C26.6Very low30.6Very low106 Ų106150.1 Ų150.172%0.71677%0.771SS**  trans62.9118.5164-68.50000121.3
322D28.6Very low30.5Very low164 Ų164146.9 Ų146.988%0.87777%0.769SS**  trans45.1145.7130.7-58.4-50.6000123.6
323G32.3Very low30Very low65 Ų65145.5 Ų145.567%0.6777%0.77SS**  cis161.5166-3.200000114.8
324K31.3Very low30Very low153 Ų153148 Ų14867%0.66577%0.768SS**  trans59.197.7170.9-65.2-172174-176.40117.9E483K324-E483 IonicContact NZ-OE1 3.82Å; K324-E483 PolarHBondContact NZ-OE1 2.98Å; K324-E483 IonicContact NZ-OE2 2.74Å; K324-E483 PolarHBondContact NZ-OE2 3.37Å
325E31.8Very low29.8Very low136 Ų136149.8 Ų149.864%0.63677%0.769SS**  trans-56.6167153.5-45.5171.899.600112.7K327E325-K327 IonicContact OE1-NZ 3.86Å; E325-K327 PolarHBondContact OE1-NZ 3.42Å; E325-K327 IonicContact OE2-NZ 2.65Å; E325-K327 PolarHBondContact OE2-NZ 3.08Å
326N31.4Very low29.5Very low138 Ų138148.7 Ų148.774%0.73876%0.764SS**  173.9125.7115.3-91.7-65.7000108.4
327K30.5Very low29.3Very low134 Ų134149.1 Ų149.158%0.58376%0.762SS**  cis97142.749.8-84.8-163.5175.181.10112.2E325E325-K327 IonicContact OE1-NZ 3.86Å; E325-K327 PolarHBondContact OE1-NZ 3.42Å; E325-K327 IonicContact OE2-NZ 2.65Å; E325-K327 PolarHBondContact OE2-NZ 3.08Å
328K31Very low29.1Very low192 Ų192149.5 Ų149.584%0.83576%0.76SS**  trans69.1147.2176.2-60.1167.7-176.2173.70114.7
329H29Very low28.9Very low177 Ų177145.8 Ų145.882%0.81975%0.75SS**  cis156.7121.1-22.8-107.925.5000105.4
330T27.7Very low28.7Very low154 Ų154146.7 Ų146.795%0.94575%0.752SS**  trans-167.8159.7141.810.30000110
331R29.5Very low28.5Very low237 Ų237144.3 Ų144.389%0.89475%0.749SS**  trans-115.7157.1176.1-69.9170.8163.9167.4-6.5109
332I28.2Very low28.5Very low162 Ų162143.6 Ų143.683%0.83175%0.745SS**  177.5169124.2-92.1159000111.7
333S25.4Very low28.5Very low96 Ų96141.7 Ų141.767%0.67174%0.739SS**  trans-32.6140.5-175.3480000118.1
334K30.7Very low28.2Very low195 Ų195144.8 Ų144.885%0.84875%0.745SS**  67.5112.658.1-75.3-166176.8-172.40115.4
335F26.5Very low28.1Very low184 Ų184143.6 Ų143.681%0.80775%0.751SS**  169.2119.5126-106.3-103.8000105.7
336H27.7Very low27.9Very low157 Ų157145 Ų14573%0.72776%0.758SS**  57.4138.3101.2-72.4-32.4000114.7
337N26.3Very low27.6Very low124 Ų124146.2 Ų146.266%0.66376%0.759SS**  cis-159.9147.337.6-136.79.3000114.9
338T25.8Very low27.5Very low111 Ų111145.3 Ų145.368%0.68177%0.769SS**  trans58.6158.7146.551.90000120.3
339T24.9Very low27.3Very low109 Ų109145 Ų14567%0.66977%0.768SS**  cis-154.8149.212-14.40000110.8
340T25.6Very low27.3Very low117 Ų117141.5 Ų141.572%0.71876%0.763SS**  trans36.5142.3143.853.30000122
341T26.7Very low27.2Very low119 Ų119140.3 Ų140.373%0.7376%0.756SS**  cis-160.5168.416-3.90000113
342S28.3Very low27.2Very low92 Ų92140 Ų14064%0.64376%0.755SS**  trans-34.8158.6149.150.70000115.2
343T26.6Very low27.3Very low123 Ų123136.6 Ų136.676%0.75575%0.746SS**  cis-166.4177.514.86.40000107.1
344T26.3Very low27.4Very low130 Ų130138.8 Ų138.880%0.79875%0.75SS**  cis-152.2160.216.4-22.90000110.2
345T29.5Very low27.2Very low128 Ų128134.1 Ų134.179%0.78574%0.741SS**  trans-96.3142.617147.60000113.3
346Q28.2Very low27.3Very low165 Ų165132 Ų13277%0.77174%0.739SS**  trans-144.6123.7135.5-85.4-160.9-78.500106.8
347E26Very low27.3Very low165 Ų165132.8 Ų132.877%0.77174%0.743SS**  68.6136.988.5-64.3-178.1133.800113.1
348S27.4Very low27.4Very low114 Ų114135.9 Ų135.980%0.79775%0.753SS**  cis-148.4172.324.659.10000115
349K27.4Very low27.5Very low187 Ų187137.5 Ų137.581%0.81376%0.758SS**  trans-78.9148.7164-64.7169.4-179174.30109
350S27.9Very low27.8Very low102 Ų102143 Ų14371%0.71377%0.766SS**  cis80.577.427.389.60000116.7
351T27Very low27.9Very low129 Ų129146.6 Ų146.679%0.79177%0.772SS**  trans-157.6125.41533.40000113.1
352R28.3Very low28Very low231 Ų231148 Ų14887%0.87277%0.774SS**  trans45.4132.7140.5-69-178.1175.1166.3-2.1120.3
353S30Very low27.9Very low91 Ų91151.3 Ų151.364%0.63678%0.784SS**  cis-162.2-146.9-4.6-70.60000107.8
354D27.4Very low27.9Very low142 Ų142153.3 Ų153.376%0.75979%0.787SS**  cis-163.6-168.8-1-136.8-62.7000111.5
355S27.1Very low28.2Very low96 Ų96151.8 Ų151.867%0.67178%0.782SS**  trans83.9130.316064.10000122.1
356D27.6Very low28.2Very low140 Ų140154.3 Ų154.375%0.74978%0.782SS**  trans80106.4145.4-59.6-11.9000125
357Q29.2Very low28.2Very low173 Ų173152 Ų15281%0.80878%0.784SS**  40127.1126.3-60.6-171.7000121.3
358E28.2Very low28.2Very low190 Ų190148 Ų14889%0.88878%0.779SS**  -163.1179.787.6-111.3-156.7152.900113
359N28.6Very low28.2Very low145 Ų145149.4 Ų149.478%0.77578%0.783SS**  trans-136.3162.4-172.6-157.4-15.1000112.4
360R29.6Very low28.2Very low225 Ų225143.4 Ų143.485%0.84977%0.774SS**  trans-53.4143.1-173.5-61.1165.7167.2174.7-5.4114.3
361K27.3Very low29.1Very low191 Ų191144.1 Ų144.183%0.8378%0.776SS**  -169.6140.4116.7-105.4162.9-173.5176.30115.9
362L29.4Very low29.3Very low148 Ų148147.5 Ų147.578%0.77577%0.774SS**  trans29123.8141.1-63.4165.8000120
363N25.7Very low29.3Very low162 Ų162146.2 Ų146.287%0.86677%0.77SS**  -155.1165.5108.2-112.1-30.5000113.1
364M27.6Very low29.2Very low166 Ų166150.8 Ų150.882%0.81878%0.778SS**  trans-148.5175-173-115.8-72.9105.600111.1
365S32.3Very low29.1Very low98 Ų98148.3 Ų148.369%0.68578%0.777SS**  trans83.5148.1173.892.10000115.9
366K29.6Very low29Very low181 Ų181149.1 Ų149.179%0.78779%0.79SS**  cis-160.2133.13.8-139.7164.6-167.5176.10113.6
367S27.4Very low28.9Very low115 Ų115146 Ų14680%0.80479%0.791SS**  trans64.7164.3149.474.90000118.2
368A26.6Very low28.8Very low81 Ų81142.7 Ų142.767%0.66979%0.793SS**  cis-155.5160.12.900000113
369V28.2Very low28.7Very low144 Ų144145.8 Ų145.887%0.87380%0.797SS**  trans67.4136.71501760000119.7
370G27.4Very low28.6Very low61 Ų61143.4 Ų143.463%0.62980%0.797SS**  trans-97.6-149172.100000113.3
371P46.9Very low28.4Very low117 Ų117137.1 Ų137.176%0.7679%0.793SS**  cis-151.6179.930.444-23.2000119.1
372R29.9Very low29.4Very low200 Ų200133.1 Ų133.176%0.75579%0.787SS**  trans65.2123.5143.3-85.6178.5173.4-167.71.5123
373R29.7Very low29.3Very low205 Ų205130.9 Ų130.977%0.77478%0.783SS**  62.1151.9125.6-70177.5176.8-176.3-3.6118.6
374K27.3Very low29.4Very low186 Ų186130 Ų13081%0.80978%0.777SS**  cis-148.81408.8-112.8170.8175.8-173.40105.9
375A25.8Very low29.4Very low90 Ų90126.2 Ų126.274%0.74477%0.767SS**  76.2129.175.200000116.7
376A25.1Very low29.1Very low114 Ų114129.2 Ų129.294%0.94277%0.77SS**  trans67.2153.5176.400000117.1
377G24.9Very low29Very low74 Ų74125.5 Ų125.576%0.76376%0.763SS**  cis-174.6165.3-2.200000113.5
378A27.9Very low28.8Very low104 Ų104129.9 Ų129.986%0.8676%0.762SS**  trans-63.2150.5-169.300000117.3
379R25.5Very low28.8Very low255 Ų255132.8 Ų132.896%0.96276%0.759SS**  -168.2177.3114.2-119.3177.9168.9179.9-5.1114.1
380A25.7Very low28.5Very low95 Ų95137.4 Ų137.479%0.78576%0.761SS**  trans-96169.2-17100000115
381A26.2Very low29.8Very low92 Ų92139.2 Ų139.276%0.7676%0.761SS**  trans-43.6-174.8168.400000117
382P48.3Very low28.7Very low108 Ų108141.2 Ų141.270%0.70177%0.765SS**  cis-141.6-176.6243.4-25.3000117
383S27Very low28.5Very low100 Ų100142.8 Ų142.870%0.69977%0.771SS**  trans75.2163.4143.489.40000118.4
384I28.9Very low28.2Very low143 Ų143137.6 Ų137.673%0.73377%0.772SS**  cis-160.4152-8.5-133.2168.5000113.5
385S26.4Very low28.1Very low88 Ų88133.3 Ų133.362%0.61577%0.771SS**  trans65.8171.9159.177.60000119.1
386Q27Very low28.2Very low161 Ų161138.4 Ų138.475%0.75278%0.776SS**  cis-153.311911.5-141.9152.994.700108.8
387T26.2Very low28.3Very low102 Ų102139.5 Ų139.563%0.62677%0.772SS**  43.2130.589.356.70000115.5
388W23.5Very low28.3Very low208 Ų208141.5 Ų141.579%0.78877%0.774SS**  -177.9-175.353.4-99.6-26.1000109.4
389K26.4Very low28.3Very low141 Ų141140.8 Ų140.861%0.61378%0.777SS**  cis-165.7132.8-6.6-116.1159.6-177162.30112.2
390R23.3Very low28.5Very low242 Ų242132.2 Ų132.291%0.91377%0.768SS**  trans62-176.9136-112.1-165.7161.8-179.6-5.8119.9
391P53.2Low29.1Very low98 Ų98133.8 Ų133.864%0.63677%0.767SS**  trans-141.1-172-131.546.5-25000119.5
392L25.4Very low29.6Very low160 Ų160135.3 Ų135.384%0.83877%0.767SS**  trans84132.6153.9-73167.7000122.9
393R23.8Very low29.4Very low233 Ų233135.8 Ų135.888%0.87977%0.768SS**  trans74107.3146.8-93.4-173.1169.4-168.3-2.4123.4
394A24.7Very low29.9Very low96 Ų96140.8 Ų140.879%0.79378%0.777SS**  77.5151.1118.900000124.2
395A25.2Very low30.5Very low96 Ų96139.7 Ų139.779%0.79378%0.782SS**  trans105.491.4151.200000122.4
396K27Very low31.9Very low196 Ų196140.7 Ų140.785%0.85279%0.789SS**  44.1154.9129.8-68.5-172.8173.3-176.40124.5
397T27.4Very low33Very low137 Ų137141 Ų14184%0.8479%0.79SS**  trans85.6144.1162.368.40000118.1
398S26Very low34.4Very low117 Ų117143.8 Ų143.882%0.81880%0.796SS**  cis-169.7146-21.650.20000113.2
399G27.7Very low35.9Very low88 Ų88141 Ų14191%0.90779%0.792SS**  trans89.2140.7175.500000113.5
400G29.4Very low37.5Very low75 Ų75140.7 Ų140.777%0.77379%0.793SS**  cis138.3157.46.300000109.7
401V37.2Very low39.4Very low129 Ų129133.5 Ų133.578%0.78278%0.776SS**  cis-159.5132.4-1.91750000104.7
402T37.6Very low40Very low124 Ų124137.1 Ų137.176%0.76178%0.778SS**  169.9164.273.920000105.7
403V44.2Very low42.2Very low118 Ų118136.4 Ų136.472%0.71576%0.764SS**  cis-174.9157.8-23.71250000108.2
404K38.4Very low44.5Very low205 Ų205130 Ų13089%0.89175%0.747SS**  trans75.3138.5-172.8-60.7171.8-179.2177.30114
405S41.3Very low46.8Very low120 Ų120130.2 Ų130.284%0.83973%0.733SS**  cis-145.2145-543.60000110.1
406S54.5Low49.1Very low108 Ų108129.5 Ų129.576%0.75572%0.719SS**  trans-119.5120.3-168-175.30000113
407Q51Low51.5Low168 Ų168126 Ų12679%0.78571%0.706SS**SBendtrans-172.8-30.3151.5-114.1170.4-14.900113.5
408E54.8Low53.8Low160 Ų160125.7 Ų125.775%0.74870%0.695SS**Hα-helixtrans-78.9-29.2-170.7-62.2-178.7152.800114.5E410 Y412E408-E410 PolarHBondContact O-N 2.98Å; E408-Y412 WeakPolarHBondContact O-CD2 3.24Å
409E56.2Low56Low150 Ų150128.5 Ų128.570%0.70169%0.687SS**Hα-helixtrans-66.3-17.2-175-62.7-170.2160.700115.1
410E58.5Low58.3Low135 Ų135128.8 Ų128.863%0.63167%0.668SS**Hα-helixtrans-83.9-41.3-172.3-157.6144.4-128.700111.2E408 R413E408-E410 PolarHBondContact O-N 2.98Å; E410-R413 WeakPolarHBondContact O-CB 3.47Å; E410-R413 PolarHBondContact O-N 3.49Å
411T63.3Low60.6Low90 Ų90129.6 Ų129.655%0.55265%0.652SS**Hα-helixtrans-64-42.9177.4-47.90000112.5R413 I414 I415T411-R413 PolarHBondContact O-N 3.17Å; T411-I414 PolarHBondContact O-N 2.87Å; T411-I415 HydrophobicContact CG2-CD1 4.44Å
412Y67.1Low62.6Low174 Ų174126.7 Ų126.768%0.68263%0.629SS**Hα-helixtrans-63.7-29.7178.9-80-71.9000113E408 V416E408-Y412 WeakPolarHBondContact O-CD2 3.24Å; Y412-V416 WeakPolarHBondContact O-CG2 3.31Å; Y412-V416 PolarHBondContact O-N 3.37Å
413R70.8Confident64.5Low146 Ų146125.9 Ų125.955%0.55162%0.618SS**Hα-helixtrans-68.7-42.5-177.5-154.1177.3-58.7175.73.5111.9E410 T411 V416 E417E410-R413 WeakPolarHBondContact O-CB 3.47Å; E410-R413 PolarHBondContact O-N 3.49Å; T411-R413 PolarHBondContact O-N 3.17Å; R413-V416 PolarHBondContact O-N 3.17Å; R413-E417 PolarHBondContact O-N 2.66Å
414I72.3Confident66.2Low99 Ų99125 Ų12551%0.50861%0.607SS.*Hα-helixtrans-63.4-44.3-180-61.1171.4000111.1T411 V416 E417 E418T411-I414 PolarHBondContact O-N 2.87Å; I414-V416 VanDerWaalsContact C-N 3.26Å; I414-V416 PolarHBondContact O-N 3.01Å; I414-E417 PolarHBondContact O-N 3.21Å; I414-E417 VanDerWaalsContact O-N 3.17Å; I414-E418 PolarHBondContact O-N 3.38Å; I414-E418 VanDerWaalsContact O-N 3.1Å
415I71.9Confident68.2Low100 Ų100121.3 Ų121.351%0.51359%0.587SS.*Hα-helixtrans-63.4-32.1-178.1-63.4170.7000111.8T411 R419T411-I415 HydrophobicContact CG2-CD1 4.44Å; I415-R419 PolarHBondContact O-N 3.48Å
416V75.4Confident69.9Low81 Ų81123 Ų12349%0.49158%0.575SS.*Hα-helixtrans-71.3-43.6175174.90000111.1Y412 R413 I414 E418 R419 D420Y412-V416 WeakPolarHBondContact O-CG2 3.31Å; Y412-V416 PolarHBondContact O-N 3.37Å; R413-V416 PolarHBondContact O-N 3.17Å; I414-V416 VanDerWaalsContact C-N 3.26Å; I414-V416 PolarHBondContact O-N 3.01Å; V416-E418 PolarHBondContact O-N 3.28Å; V416-R419 PolarHBondContact O-N 3.07Å; V416-D420 PolarHBondContact O-N 2.98Å
417E75.9Confident71.4Confident123 Ų123125 Ų12558%0.57557%0.566SS**Hα-helixtrans-63.2-38.6178.7-69.6-172.9155.400112.8R413 I414 D420 Q421R413-E417 PolarHBondContact O-N 2.66Å; I414-E417 PolarHBondContact O-N 3.21Å; I414-E417 VanDerWaalsContact O-N 3.17Å; E417-D420 PolarHBondContact O-N 3.05Å; E417-Q421 VanDerWaalsContact O-CG 3.31Å; E417-Q421 WeakPolarHBondContact O-CG 3.43Å; E417-Q421 PolarHBondContact O-N 2.97Å; E417-Q421 VanDerWaalsContact O-N 3.1Å
418E75.3Confident73Confident130 Ų130121.9 Ų121.961%0.60755%0.55SS*.Hα-helixtrans-64.6-42.8174.6-70.2-164.2138.400112.5I414 V416 Q421 E422I414-E418 PolarHBondContact O-N 3.38Å; I414-E418 VanDerWaalsContact O-N 3.1Å; V416-E418 PolarHBondContact O-N 3.28Å; E418-Q421 PolarHBondContact O-N 2.99Å; E418-E422 PolarHBondContact O-N 3.28Å; E418-E422 VanDerWaalsContact O-N 3.07Å
419R73.3Confident74.3Confident176 Ų176117 Ų11766%0.66454%0.537SS*.Hα-helixtrans-60.3-45.4176.6170.2-179.4166.4143.91.7111.6I415 V416 E422 M423I415-R419 PolarHBondContact O-N 3.48Å; V416-R419 PolarHBondContact O-N 3.07Å; R419-E422 PolarHBondContact O-N 3.09Å; R419-M423 WeakPolarHBondContact O-CG 3.48Å; R419-M423 PolarHBondContact O-N 2.92Å
420D76.5Confident75.4Confident93 Ų93114.2 Ų114.250%0.49752%0.524SS..Hα-helixtrans-71.8-35.1-175.9-73.9-11.7000111.7V416 E417 E422 M423 E424V416-D420 PolarHBondContact O-N 2.98Å; E417-D420 PolarHBondContact O-N 3.05Å; D420-E422 VanDerWaalsContact C-N 3.34Å; D420-E422 PolarHBondContact O-N 2.94Å; D420-M423 PolarHBondContact O-N 3.28Å; D420-E424 PolarHBondContact O-N 3.4Å
421Q77.8Confident76.5Confident93 Ų93110.8 Ų110.844%0.43551%0.508SS..Hα-helixtrans-60.6-41.2168.4-72177.340.800112.4E417 E418 E424 R425E417-Q421 VanDerWaalsContact O-CG 3.31Å; E417-Q421 WeakPolarHBondContact O-CG 3.43Å; E417-Q421 PolarHBondContact O-N 2.97Å; E417-Q421 VanDerWaalsContact O-N 3.1Å; E418-Q421 PolarHBondContact O-N 2.99Å; Q421-E424 PolarHBondContact O-N 3.35Å; Q421-R425 WeakPolarHBondContact O-CG 3.33Å; Q421-R425 PolarHBondContact O-N 2.94Å
422E77.4Confident77.5Confident68 Ų68108.9 Ų108.932%0.31850%0.501SS..Hα-helixtrans-69.1-37.4178.9178.658.4-170.700112.3E418 R419 D420 E424 R425 R426E418-E422 PolarHBondContact O-N 3.28Å; E418-E422 VanDerWaalsContact O-N 3.07Å; R419-E422 PolarHBondContact O-N 3.09Å; D420-E422 VanDerWaalsContact C-N 3.34Å; D420-E422 PolarHBondContact O-N 2.94Å; E422-E424 VanDerWaalsContact C-N 3.33Å; E422-E424 PolarHBondContact O-N 2.97Å; E422-R425 PolarHBondContact O-N 3.1Å; E422-R425 IonicContact OE2-NH1 2.69Å; E422-R426 WeakPolarHBondContact O-CG 3.5Å; E422-R426 PolarHBondContact O-N 3.46Å; E422-R426 IonicContact OE1-CZ 2.64Å; E422-R426 IonicContact OE1-NE 3.99Å; E422-R426 PolarHBondContact OE1-NE 3.25Å; E422-R426 IonicContact OE1-NH2 2.8Å; E422-R426 PolarHBondContact OE1-NH2 3.14Å
423M78.7Confident78.3Confident107 Ų107104.9 Ų104.953%0.52749%0.494SS..Hα-helixtrans-61-41.1169.3-72.8-62.7-61.300111.8R419 D420 R426 W427R419-M423 WeakPolarHBondContact O-CG 3.48Å; R419-M423 PolarHBondContact O-N 2.92Å; D420-M423 PolarHBondContact O-N 3.28Å; M423-R426 PolarHBondContact O-N 3.39Å; M423-W427 WeakPolarHBondContact O-CB 3.34Å; M423-W427 PolarHBondContact O-N 3.03Å
424E79.4Confident78.9Confident100 Ų100103 Ų10347%0.46749%0.487SS..Hα-helixtrans-66.9-39.8177.6-154.3-147.7-175.100112.3D420 Q421 E422 W427 K428D420-E424 PolarHBondContact O-N 3.4Å; Q421-E424 PolarHBondContact O-N 3.35Å; E422-E424 VanDerWaalsContact C-N 3.33Å; E422-E424 PolarHBondContact O-N 2.97Å; E424-W427 PolarHBondContact O-N 2.96Å; E424-K428 WeakPolarHBondContact O-CB 3.31Å; E424-K428 VanDerWaalsContact O-CG 3.3Å; E424-K428 WeakPolarHBondContact O-CG 3.49Å; E424-K428 PolarHBondContact O-N 2.97Å; E424-K428 WeakPolarHBondContact OE1-CE 3.43Å; E424-K428 IonicContact OE1-NZ 3.16Å; E424-K428 PolarHBondContact OE1-NZ 2.92Å; E424-K428 IonicContact OE2-NZ 2.64Å; E424-K428 PolarHBondContact OE2-NZ 3.49Å
425R81.8Confident79.7Confident127 Ų127104.3 Ų104.348%0.47949%0.489SS..Hα-helixtrans-60.3-47.6173-71.4176.8-163.8105.510.5111.4Q421 E422 K428 A429Q421-R425 WeakPolarHBondContact O-CG 3.33Å; Q421-R425 PolarHBondContact O-N 2.94Å; E422-R425 PolarHBondContact O-N 3.1Å; E422-R425 IonicContact OE2-NH1 2.69Å; R425-K428 PolarHBondContact O-N 3.29Å; R425-A429 PolarHBondContact O-N 3.13Å
426R76.9Confident80.3Confident156 Ų156104.4 Ų104.459%0.58949%0.49SS*.Hα-helixtrans-62.9-43.2178-71.5174.8-169.7-163.73.8112E422 M423 K428 A429 E430E422-R426 WeakPolarHBondContact O-CG 3.5Å; E422-R426 PolarHBondContact O-N 3.46Å; E422-R426 IonicContact OE1-CZ 2.64Å; E422-R426 IonicContact OE1-NE 3.99Å; E422-R426 PolarHBondContact OE1-NE 3.25Å; E422-R426 IonicContact OE1-NH2 2.8Å; E422-R426 PolarHBondContact OE1-NH2 3.14Å; M423-R426 PolarHBondContact O-N 3.39Å; R426-K428 PolarHBondContact O-N 3.24Å; R426-A429 PolarHBondContact O-N 2.86Å; R426-E430 WeakPolarHBondContact O-CB 3.11Å; R426-E430 PolarHBondContact O-N 2.83Å
427W85.8Confident80.7Confident148 Ų148103.4 Ų103.456%0.56148%0.484SS*.Hα-helixtrans-61.9-43.4176.2-175.484.2000111.9M423 E424 A429 E430 Q431M423-W427 WeakPolarHBondContact O-CB 3.34Å; M423-W427 PolarHBondContact O-N 3.03Å; E424-W427 PolarHBondContact O-N 2.96Å; W427-A429 PolarHBondContact O-N 3.25Å; W427-E430 PolarHBondContact O-N 2.99Å; W427-Q431 HydrophobicContact CD2-CG 4.05Å; W427-Q431 HydrophobicContact CE3-CG 4.27Å; W427-Q431 HydrophobicContact CH2-CG 4.18Å; W427-Q431 HydrophobicContact CZ2-CG 3.95Å; W427-Q431 HydrophobicContact CZ3-CG 4.33Å; W427-Q431 WeakPolarHBondContact O-CB 3.37Å; W427-Q431 VanDerWaalsContact O-CG 3.27Å; W427-Q431 WeakPolarHBondContact O-CG 3.37Å; W427-Q431 PolarHBondContact O-N 2.84Å
428K84.3Confident81.2Confident104 Ų104103.7 Ų103.745%0.45249%0.486SS..Hα-helixtrans-60.9-42.6174.5-73.5167-178.8169.60112.3E424 R425 R426 Q431 A432E424-K428 WeakPolarHBondContact O-CB 3.31Å; E424-K428 VanDerWaalsContact O-CG 3.3Å; E424-K428 WeakPolarHBondContact O-CG 3.49Å; E424-K428 PolarHBondContact O-N 2.97Å; E424-K428 WeakPolarHBondContact OE1-CE 3.43Å; E424-K428 IonicContact OE1-NZ 3.16Å; E424-K428 PolarHBondContact OE1-NZ 2.92Å; E424-K428 IonicContact OE2-NZ 2.64Å; E424-K428 PolarHBondContact OE2-NZ 3.49Å; R425-K428 PolarHBondContact O-N 3.29Å; R426-K428 PolarHBondContact O-N 3.24Å; K428-Q431 PolarHBondContact O-N 3.43Å; K428-A432 PolarHBondContact O-N 3.14Å; K428-A432 VanDerWaalsContact O-N 3.1Å
429A80.8Confident81.8Confident57 Ų57102.9 Ų102.947%0.47148%0.482SS..Hα-helixtrans-64.8-43.8175.500000112.2R425 R426 W427 Q431 A432 V433R425-A429 PolarHBondContact O-N 3.13Å; R426-A429 PolarHBondContact O-N 2.86Å; W427-A429 PolarHBondContact O-N 3.25Å; A429-Q431 VanDerWaalsContact C-N 3.35Å; A429-Q431 PolarHBondContact O-N 3.03Å; A429-A432 WeakPolarHBondContact O-CB 3.33Å; A429-A432 PolarHBondContact O-N 2.67Å; A429-A432 VanDerWaalsContact O-N 3.15Å; A429-V433 WeakPolarHBondContact O-CG2 3.38Å; A429-V433 PolarHBondContact O-N 3.18Å
430E80.1Confident82.4Confident92 Ų92100 Ų10043%0.4348%0.479SS..Hα-helixtrans-64.6-37.8178.3-159.7-162.6-16300111.9R426 W427 V433 R434R426-E430 WeakPolarHBondContact O-CB 3.11Å; R426-E430 PolarHBondContact O-N 2.83Å; W427-E430 PolarHBondContact O-N 2.99Å; E430-V433 PolarHBondContact O-N 3.41Å; E430-R434 VanDerWaalsContact CD-CZ 3.41Å; E430-R434 WeakPolarHBondContact O-CG 3.36Å; E430-R434 PolarHBondContact O-N 2.91Å; E430-R434 IonicContact OE1-CZ 3.12Å; E430-R434 IonicContact OE1-NH1 2.68Å; E430-R434 IonicContact OE1-NH2 3.07Å; E430-R434 PolarHBondContact OE1-NH2 3.15Å; E430-R434 IonicContact OE2-CZ 3.15Å; E430-R434 IonicContact OE2-NH1 2.59Å; E430-R434 PolarHBondContact OE2-NH1 3.26Å; E430-R434 IonicContact OE2-NH2 2.67Å; E430-R434 PolarHBondContact OE2-NH2 3.34Å
431Q82.7Confident82.8Confident63 Ų63101.7 Ų101.729%0.29448%0.482SS..Hα-helixtrans-65.2-35.8172.1-69.6-63.4-20.500112.7W427 K428 A429 K435W427-Q431 HydrophobicContact CD2-CG 4.05Å; W427-Q431 HydrophobicContact CE3-CG 4.27Å; W427-Q431 HydrophobicContact CH2-CG 4.18Å; W427-Q431 HydrophobicContact CZ2-CG 3.95Å; W427-Q431 HydrophobicContact CZ3-CG 4.33Å; W427-Q431 WeakPolarHBondContact O-CB 3.37Å; W427-Q431 VanDerWaalsContact O-CG 3.27Å; W427-Q431 WeakPolarHBondContact O-CG 3.37Å; W427-Q431 PolarHBondContact O-N 2.84Å; K428-Q431 PolarHBondContact O-N 3.43Å; A429-Q431 VanDerWaalsContact C-N 3.35Å; A429-Q431 PolarHBondContact O-N 3.03Å; Q431-K435 WeakPolarHBondContact O-CG 3.26Å; Q431-K435 PolarHBondContact O-N 3.4Å
432A83.8Confident83.1Confident49 Ų49100 Ų10041%0.40548%0.48SS..Hα-helixtrans-66.8-42.9173.300000111.7K428 A429 R434 K435 L436K428-A432 PolarHBondContact O-N 3.14Å; K428-A432 VanDerWaalsContact O-N 3.1Å; A429-A432 WeakPolarHBondContact O-CB 3.33Å; A429-A432 PolarHBondContact O-N 2.67Å; A429-A432 VanDerWaalsContact O-N 3.15Å; A432-R434 PolarHBondContact O-N 2.71Å; A432-K435 PolarHBondContact O-N 3.48Å; A432-L436 WeakPolarHBondContact O-CG 3.38Å; A432-L436 PolarHBondContact O-N 2.95Å
433V83.8Confident83.5Confident90 Ų90101.8 Ų101.855%0.54549%0.491SS..Hα-helixtrans-62.6-40.3175.5172.20000111.8A429 E430 L436 T437A429-V433 WeakPolarHBondContact O-CG2 3.38Å; A429-V433 PolarHBondContact O-N 3.18Å; E430-V433 PolarHBondContact O-N 3.41Å; V433-L436 PolarHBondContact O-N 3.22Å; V433-T437 WeakPolarHBondContact O-CB 3.42Å; V433-T437 PolarHBondContact O-N 3.24Å; V433-T437 PolarHBondContact O-OG1 3.1Å
434R84Confident83.7Confident108 Ų108103.5 Ų103.541%0.40850%0.498SS..Hα-helixtrans-58.4-49.7174-76.3-176.2-179.299.511.1111.8E430 A432 T437 E438E430-R434 VanDerWaalsContact CD-CZ 3.41Å; E430-R434 WeakPolarHBondContact O-CG 3.36Å; E430-R434 PolarHBondContact O-N 2.91Å; E430-R434 IonicContact OE1-CZ 3.12Å; E430-R434 IonicContact OE1-NH1 2.68Å; E430-R434 IonicContact OE1-NH2 3.07Å; E430-R434 PolarHBondContact OE1-NH2 3.15Å; E430-R434 IonicContact OE2-CZ 3.15Å; E430-R434 IonicContact OE2-NH1 2.59Å; E430-R434 PolarHBondContact OE2-NH1 3.26Å; E430-R434 IonicContact OE2-NH2 2.67Å; E430-R434 PolarHBondContact OE2-NH2 3.34Å; A432-R434 PolarHBondContact O-N 2.71Å; R434-T437 WeakPolarHBondContact O-CB 3.42Å; R434-T437 PolarHBondContact O-N 3.21Å; R434-T437 VanDerWaalsContact O-N 3.13Å; R434-E438 WeakPolarHBondContact O-CG 3.4Å; R434-E438 PolarHBondContact O-N 2.98Å
435K87.4Confident83.9Confident126 Ų126101.9 Ų101.955%0.54850%0.495SS..Hα-helixtrans-59.6-48.4178.2-71.9-180178.2-173.40112.8Q431 A432 T437 E438 E439Q431-K435 WeakPolarHBondContact O-CG 3.26Å; Q431-K435 PolarHBondContact O-N 3.4Å; A432-K435 PolarHBondContact O-N 3.48Å; K435-T437 PolarHBondContact O-N 3.25Å; K435-E438 PolarHBondContact O-N 3.3Å; K435-E439 WeakPolarHBondContact O-CG 3.23Å; K435-E439 PolarHBondContact O-N 2.91Å
436L84.6Confident84Confident102 Ų102100.8 Ų100.853%0.53449%0.494SS..Hα-helixtrans-60.6-32.8176.6-70.1170.2000112.3A432 V433 L440A432-L436 WeakPolarHBondContact O-CG 3.38Å; A432-L436 PolarHBondContact O-N 2.95Å; V433-L436 PolarHBondContact O-N 3.22Å; L436-L440 WeakPolarHBondContact O-CB 3.24Å; L436-L440 WeakPolarHBondContact O-CG 3.37Å; L436-L440 PolarHBondContact O-N 2.82Å
437T84.7Confident84.4Confident59 Ų5996.8 Ų96.836%0.36249%0.486SS..Hα-helixtrans-71-35175.2-54.80000112.2V433 R434 K435 K441V433-T437 WeakPolarHBondContact O-CB 3.42Å; V433-T437 PolarHBondContact O-N 3.24Å; V433-T437 PolarHBondContact O-OG1 3.1Å; R434-T437 WeakPolarHBondContact O-CB 3.42Å; R434-T437 PolarHBondContact O-N 3.21Å; R434-T437 VanDerWaalsContact O-N 3.13Å; K435-T437 PolarHBondContact O-N 3.25Å; T437-K441 VanDerWaalsContact O-CG 3.29Å; T437-K441 WeakPolarHBondContact O-CG 3.45Å; T437-K441 PolarHBondContact O-N 3.28Å; T437-K441 VanDerWaalsContact O-N 3.15Å
438E86.3Confident84.1Confident129 Ų12992.4 Ų92.460%0.60348%0.478SS*.Hα-helixtrans-72.9-40.3175.1-70.7171.7166.600111.7R434 K435 K441 C442R434-E438 WeakPolarHBondContact O-CG 3.4Å; R434-E438 PolarHBondContact O-N 2.98Å; K435-E438 PolarHBondContact O-N 3.3Å; E438-K441 PolarHBondContact O-N 3.44Å; E438-C442 WeakPolarHBondContact O-CB 3.4Å; E438-C442 PolarHBondContact O-N 3.14Å
439E87.6Confident84.2Confident114 Ų11492.7 Ų92.753%0.53348%0.481SS..Hα-helixtrans-62.4-45.5173-72.3171.1-172.300111.6K435 K441 C442 L443K435-E439 WeakPolarHBondContact O-CG 3.23Å; K435-E439 PolarHBondContact O-N 2.91Å; E439-K441 VanDerWaalsContact C-N 3.35Å; E439-K441 PolarHBondContact O-N 3.22Å; E439-C442 PolarHBondContact O-N 3.5Å; E439-L443 WeakPolarHBondContact O-CG 3.47Å; E439-L443 PolarHBondContact O-N 3.26Å
440L85.3Confident84.3Confident115 Ų11596.2 Ų96.260%0.60249%0.488SS*.Hα-helixtrans-59.7-41.4174-84.3167.8000112.6L436 L443 Q444L436-L440 WeakPolarHBondContact O-CB 3.24Å; L436-L440 WeakPolarHBondContact O-CG 3.37Å; L436-L440 PolarHBondContact O-N 2.82Å; L440-L443 PolarHBondContact O-N 3.36Å; L440-Q444 WeakPolarHBondContact O-CB 3.14Å; L440-Q444 PolarHBondContact O-N 3.31Å
441K85.8Confident84.6Confident128 Ų12897.9 Ų97.956%0.55749%0.494SS*.Hα-helixtrans-63.4-42.1174.9-75.8169.7-179176.30112T437 E438 E439 L443 Q444 T445T437-K441 VanDerWaalsContact O-CG 3.29Å; T437-K441 WeakPolarHBondContact O-CG 3.45Å; T437-K441 PolarHBondContact O-N 3.28Å; T437-K441 VanDerWaalsContact O-N 3.15Å; E438-K441 PolarHBondContact O-N 3.44Å; E439-K441 VanDerWaalsContact C-N 3.35Å; E439-K441 PolarHBondContact O-N 3.22Å; K441-L443 VanDerWaalsContact C-N 3.34Å; K441-L443 PolarHBondContact O-N 3.3Å; K441-Q444 PolarHBondContact O-N 3.22Å; K441-T445 PolarHBondContact O-N 2.89Å; K441-T445 PolarHBondContact O-OG1 2.81Å
442C84Confident84.7Confident59 Ų5999.9 Ų99.940%0.39951%0.506SS..Hα-helixtrans-66-33.6177.1-176.20000112.8E438 E439 T445 K446E438-C442 WeakPolarHBondContact O-CB 3.4Å; E438-C442 PolarHBondContact O-N 3.14Å; E439-C442 PolarHBondContact O-N 3.5Å; C442-T445 PolarHBondContact O-OG1 2.89Å; C442-T445 VanDerWaalsContact O-OG1 3.1Å; C442-K446 WeakPolarHBondContact O-CD 3.44Å; C442-K446 WeakPolarHBondContact O-CG 3.49Å; C442-K446 PolarHBondContact O-N 3.27Å
443L85.8Confident84.8Confident104 Ų104103 Ų10355%0.54552%0.516SS..Hα-helixtrans-70.2-40.9170.4-69.7171.3000111.4E439 L440 K441 T445 K446 V447E439-L443 WeakPolarHBondContact O-CG 3.47Å; E439-L443 PolarHBondContact O-N 3.26Å; L440-L443 PolarHBondContact O-N 3.36Å; K441-L443 VanDerWaalsContact C-N 3.34Å; K441-L443 PolarHBondContact O-N 3.3Å; L443-T445 PolarHBondContact O-N 3.22Å; L443-K446 PolarHBondContact O-N 3.24Å; L443-V447 WeakPolarHBondContact O-CG2 3.48Å; L443-V447 PolarHBondContact O-N 3.28Å
444Q82.8Confident84.8Confident143 Ų143104.9 Ų104.967%0.66852%0.519SS*.Hα-helixtrans-64.8-38.4179.3-170.2172.11.300112.7L440 K441 V447 S448L440-Q444 WeakPolarHBondContact O-CB 3.14Å; L440-Q444 PolarHBondContact O-N 3.31Å; K441-Q444 PolarHBondContact O-N 3.22Å; Q444-V447 PolarHBondContact O-N 3.01Å; Q444-S448 PolarHBondContact O-N 3.44Å; Q444-S448 PolarHBondContact O-OG 2.95Å
445T83.4Confident85Confident67 Ų67102.1 Ų102.141%0.41152%0.516SS..Hα-helixtrans-66-41.5175.553.70000112.2K441 C442 L443 V447 S448 E449K441-T445 PolarHBondContact O-N 2.89Å; K441-T445 PolarHBondContact O-OG1 2.81Å; C442-T445 PolarHBondContact O-OG1 2.89Å; C442-T445 VanDerWaalsContact O-OG1 3.1Å; L443-T445 PolarHBondContact O-N 3.22Å; T445-V447 VanDerWaalsContact C-N 3.33Å; T445-V447 PolarHBondContact O-N 2.97Å; T445-S448 WeakPolarHBondContact CA-OG 3.37Å; T445-S448 PolarHBondContact O-N 2.94Å; T445-S448 VanDerWaalsContact O-N 3.12Å; T445-S448 PolarHBondContact O-OG 2.98Å; T445-E449 WeakPolarHBondContact O-CG 3.25Å; T445-E449 PolarHBondContact O-N 2.89Å
446K85.4Confident84.9Confident104 Ų104102.1 Ų102.145%0.45252%0.519SS..Hα-helixtrans-60.7-40.6174.7-70.6170.4-176.4176.50112.3C442 L443 S448 E449 E450C442-K446 WeakPolarHBondContact O-CD 3.44Å; C442-K446 WeakPolarHBondContact O-CG 3.49Å; C442-K446 PolarHBondContact O-N 3.27Å; L443-K446 PolarHBondContact O-N 3.24Å; K446-S448 VanDerWaalsContact C-N 3.27Å; K446-S448 PolarHBondContact O-N 2.95Å; K446-E449 PolarHBondContact O-N 3.35Å; K446-E450 WeakPolarHBondContact O-CG 3.17Å; K446-E450 PolarHBondContact O-N 3.36Å
447V84.8Confident84.8Confident71 Ų7199.7 Ų99.743%0.4351%0.514SS..Hα-helixtrans-68.6-22.8177171.30000112.8L443 Q444 T445 K451L443-V447 WeakPolarHBondContact O-CG2 3.48Å; L443-V447 PolarHBondContact O-N 3.28Å; Q444-V447 PolarHBondContact O-N 3.01Å; T445-V447 VanDerWaalsContact C-N 3.33Å; T445-V447 PolarHBondContact O-N 2.97Å; V447-K451 VanDerWaalsContact O-CD 3.3Å; V447-K451 WeakPolarHBondContact O-CD 3.38Å; V447-K451 VanDerWaalsContact O-CG 3.26Å; V447-K451 WeakPolarHBondContact O-CG 3.42Å
448S80.1Confident85Confident57 Ų57101.7 Ų101.740%0.39952%0.522SS..Hα-helixtrans-76.4-46164.833.10000112.3Q444 T445 K446 E450 K451 D452Q444-S448 PolarHBondContact O-N 3.44Å; Q444-S448 PolarHBondContact O-OG 2.95Å; T445-S448 WeakPolarHBondContact CA-OG 3.37Å; T445-S448 PolarHBondContact O-N 2.94Å; T445-S448 VanDerWaalsContact O-N 3.12Å; T445-S448 PolarHBondContact O-OG 2.98Å; K446-S448 VanDerWaalsContact C-N 3.27Å; K446-S448 PolarHBondContact O-N 2.95Å; S448-E450 VanDerWaalsContact C-N 3.31Å; S448-E450 PolarHBondContact O-N 3.36Å; S448-K451 WeakPolarHBondContact O-CB 3.23Å; S448-K451 PolarHBondContact O-N 3.27Å; S448-D452 PolarHBondContact O-N 2.87Å
449E86.3Confident85Confident110 Ų110101.7 Ų101.751%0.51452%0.522SS..Hα-helixtrans-57.9-41.5179.6-69.7160.1-168.800112T445 K446 K451 D452 L453T445-E449 WeakPolarHBondContact O-CG 3.25Å; T445-E449 PolarHBondContact O-N 2.89Å; K446-E449 PolarHBondContact O-N 3.35Å; E449-K451 PolarHBondContact O-N 3.22Å; E449-D452 PolarHBondContact O-N 2.88Å; E449-L453 WeakPolarHBondContact O-CB 3.27Å; E449-L453 VanDerWaalsContact O-CG 3.3Å; E449-L453 WeakPolarHBondContact O-CG 3.41Å; E449-L453 PolarHBondContact O-N 3.43Å
450E81.9Confident84.9Confident131 Ų131100.2 Ų100.261%0.61252%0.521SS*.Hα-helixtrans-63.9-36.7174.4-73.9-179.6166.200113K446 S448 Q454K446-E450 WeakPolarHBondContact O-CG 3.17Å; K446-E450 PolarHBondContact O-N 3.36Å; S448-E450 VanDerWaalsContact C-N 3.31Å; S448-E450 PolarHBondContact O-N 3.36Å; E450-Q454 WeakPolarHBondContact O-CB 3.49Å; E450-Q454 PolarHBondContact O-N 3.01Å
451K85.7Confident85.1Confident127 Ų12798 Ų9855%0.55251%0.512SS*.Hα-helixtrans-71.5-38.6177.1-73.3171.7-174175.50112.1V447 S448 E449 Q454 S455V447-K451 VanDerWaalsContact O-CD 3.3Å; V447-K451 WeakPolarHBondContact O-CD 3.38Å; V447-K451 VanDerWaalsContact O-CG 3.26Å; V447-K451 WeakPolarHBondContact O-CG 3.42Å; S448-K451 WeakPolarHBondContact O-CB 3.23Å; S448-K451 PolarHBondContact O-N 3.27Å; E449-K451 PolarHBondContact O-N 3.22Å; K451-Q454 PolarHBondContact O-N 3.45Å; K451-S455 WeakPolarHBondContact O-CB 3.28Å; K451-S455 PolarHBondContact O-N 3.24Å
452D85.6Confident85.2Confident104 Ų10495.6 Ų95.656%0.55651%0.505SS*.Hα-helixtrans-66.4-42176.1-67.9-24.8000110.5S448 E449 S455 M456S448-D452 PolarHBondContact O-N 2.87Å; E449-D452 PolarHBondContact O-N 2.88Å; D452-S455 WeakPolarHBondContact O-CB 3.46Å; D452-S455 PolarHBondContact O-N 3.36Å; D452-M456 WeakPolarHBondContact O-CG 3.19Å; D452-M456 PolarHBondContact O-N 3.44Å
453L85.5Confident85.5Confident116 Ų116101.2 Ų101.261%0.60752%0.518SS*.Hα-helixtrans-61.5-42.3171.4-72.7170.7000112.5E449 M456 A457E449-L453 WeakPolarHBondContact O-CB 3.27Å; E449-L453 VanDerWaalsContact O-CG 3.3Å; E449-L453 WeakPolarHBondContact O-CG 3.41Å; E449-L453 PolarHBondContact O-N 3.43Å; L453-M456 PolarHBondContact O-N 2.92Å; L453-A457 WeakPolarHBondContact O-CB 3.36Å; L453-A457 PolarHBondContact O-N 3.15Å
454Q85.1Confident85.6Confident128 Ų128101.3 Ų101.360%0.59852%0.519SS*.Hα-helixtrans-64.4-39.6176.1-169.7176.822.600111.9E450 K451 A457 L458E450-Q454 WeakPolarHBondContact O-CB 3.49Å; E450-Q454 PolarHBondContact O-N 3.01Å; K451-Q454 PolarHBondContact O-N 3.45Å; Q454-A457 PolarHBondContact O-N 3.08Å; Q454-L458 WeakPolarHBondContact O-CG 3.3Å; Q454-L458 PolarHBondContact O-N 2.91Å
455S87Confident85.9Confident51 Ų51100 Ų10036%0.35751%0.51SS..Hα-helixtrans-61.8-47.2173.8-176.40000111.7K451 D452 A457 L458 H459K451-S455 WeakPolarHBondContact O-CB 3.28Å; K451-S455 PolarHBondContact O-N 3.24Å; D452-S455 WeakPolarHBondContact O-CB 3.46Å; D452-S455 PolarHBondContact O-N 3.36Å; S455-A457 VanDerWaalsContact C-N 3.34Å; S455-A457 PolarHBondContact O-N 3.17Å; S455-L458 PolarHBondContact O-N 3.27Å; S455-H459 PolarHBondContact O-CD2 2.92Å; S455-H459 VanDerWaalsContact O-CD2 3.23Å; S455-H459 PolarHBondContact O-N 3.11Å
456M86.4Confident86.2Confident125 Ų125101.4 Ų101.462%0.61651%0.512SS*.Hα-helixtrans-60.1-41.8174.3-71.3-178.468.400112.3D452 L453 L458 H459 T460D452-M456 WeakPolarHBondContact O-CG 3.19Å; D452-M456 PolarHBondContact O-N 3.44Å; L453-M456 PolarHBondContact O-N 2.92Å; M456-L458 PolarHBondContact O-N 2.76Å; M456-H459 PolarHBondContact O-N 2.73Å; M456-T460 WeakPolarHBondContact O-CG2 3.36Å; M456-T460 PolarHBondContact O-N 2.66Å; M456-T460 PolarHBondContact O-OG1 2.69Å
457A81.8Confident86.2Confident51 Ų51101.2 Ų101.242%0.42152%0.516SS..Hα-helixtrans-61.9-42.5176.900000112.1L453 Q454 S455 T460 T461L453-A457 WeakPolarHBondContact O-CB 3.36Å; L453-A457 PolarHBondContact O-N 3.15Å; Q454-A457 PolarHBondContact O-N 3.08Å; S455-A457 VanDerWaalsContact C-N 3.34Å; S455-A457 PolarHBondContact O-N 3.17Å; A457-T460 PolarHBondContact O-OG1 3.45Å; A457-T461 WeakPolarHBondContact O-CB 3.44Å; A457-T461 PolarHBondContact O-N 3.35Å; A457-T461 PolarHBondContact O-OG1 3.47Å
458L88.9Confident86.4Confident102 Ų102102.9 Ų102.953%0.53452%0.522SS..Hα-helixtrans-62.6-49174.5-70.6169.1000111.7Q454 S455 M456 T460 T461 D462Q454-L458 WeakPolarHBondContact O-CG 3.3Å; Q454-L458 PolarHBondContact O-N 2.91Å; S455-L458 PolarHBondContact O-N 3.27Å; M456-L458 PolarHBondContact O-N 2.76Å; L458-T460 PolarHBondContact O-N 3.16Å; L458-T461 WeakPolarHBondContact O-CB 3.44Å; L458-T461 PolarHBondContact O-N 2.92Å; L458-T461 VanDerWaalsContact O-N 3.09Å; L458-D462 PolarHBondContact O-N 3.33Å
459H87Confident86.9Confident129 Ų129105.7 Ų105.760%0.59753%0.532SS*.Hα-helixtrans-60.8-39178.7-75.5-53.7000113.6S455 M456 R463S455-H459 PolarHBondContact O-CD2 2.92Å; S455-H459 VanDerWaalsContact O-CD2 3.23Å; S455-H459 PolarHBondContact O-N 3.11Å; M456-H459 PolarHBondContact O-N 2.73Å; H459-R463 WeakPolarHBondContact O-CB 3.48Å; H459-R463 PolarHBondContact O-N 3.49Å; H459-R463 VanDerWaalsContact O-N 3.11Å
460T84.7Confident87Confident83 Ų83106.1 Ų106.151%0.50953%0.532SS..Hα-helixtrans-67.8-36.8173.856.50000112.4M456 A457 L458 L464M456-T460 WeakPolarHBondContact O-CG2 3.36Å; M456-T460 PolarHBondContact O-N 2.66Å; M456-T460 PolarHBondContact O-OG1 2.69Å; A457-T460 PolarHBondContact O-OG1 3.45Å; L458-T460 PolarHBondContact O-N 3.16Å; T460-L464 PolarHBondContact O-N 2.91Å
461T88.8Confident87.4Confident67 Ų67106 Ų10641%0.41153%0.531SS..Hα-helixtrans-65.8-44.2177.5-58.10000111.7A457 L458 L464 K465A457-T461 WeakPolarHBondContact O-CB 3.44Å; A457-T461 PolarHBondContact O-N 3.35Å; A457-T461 PolarHBondContact O-OG1 3.47Å; L458-T461 WeakPolarHBondContact O-CB 3.44Å; L458-T461 PolarHBondContact O-N 2.92Å; L458-T461 VanDerWaalsContact O-N 3.09Å; T461-L464 PolarHBondContact O-N 2.88Å; T461-K465 WeakPolarHBondContact O-CG 3.46Å; T461-K465 PolarHBondContact O-N 3.15Å
462D87.5Confident87.6Confident79 Ų79108.5 Ų108.542%0.42254%0.537SS..Hα-helixtrans-70.2-35.9179-69.9-27.8000112.2L458 L464 K465 E466L458-D462 PolarHBondContact O-N 3.33Å; D462-L464 VanDerWaalsContact C-N 3.31Å; D462-L464 PolarHBondContact O-N 3.33Å; D462-K465 WeakPolarHBondContact O-CB 3.47Å; D462-K465 PolarHBondContact O-N 3.23Å; D462-K465 WeakPolarHBondContact OD1-CE 3.37Å; D462-K465 IonicContact OD1-NZ 2.87Å; D462-K465 PolarHBondContact OD1-NZ 3.02Å; D462-E466 PolarHBondContact O-N 3.01Å
463R90.5Very high87.7Confident177 Ų177106.2 Ų106.267%0.66853%0.53SS*.Hα-helixtrans-62.8-35.4171.2-172.7173.2179175.3-0.5112.7H459 E466 L467H459-R463 WeakPolarHBondContact O-CB 3.48Å; H459-R463 PolarHBondContact O-N 3.49Å; H459-R463 VanDerWaalsContact O-N 3.11Å; R463-E466 PolarHBondContact O-N 3.12Å; R463-L467 WeakPolarHBondContact O-CG 3.43Å; R463-L467 PolarHBondContact O-N 3.47Å; R463-L467 VanDerWaalsContact O-N 3.15Å
464L87.9Confident87.9Confident106 Ų106101.8 Ų101.856%0.55551%0.511SS*.Hα-helixtrans-68.5-39.4173.1-80.9166.2000112.3T460 T461 D462 E466 L467 L468T460-L464 PolarHBondContact O-N 2.91Å; T461-L464 PolarHBondContact O-N 2.88Å; D462-L464 VanDerWaalsContact C-N 3.31Å; D462-L464 PolarHBondContact O-N 3.33Å; L464-E466 VanDerWaalsContact C-N 3.34Å; L464-L467 PolarHBondContact O-N 3.43Å; L464-L468 WeakPolarHBondContact O-CG 3.3Å; L464-L468 PolarHBondContact O-N 2.87Å
465K90.1Very high88.2Confident114 Ų114104.3 Ų104.350%0.49652%0.516SS..Hα-helixtrans-60-44.4172.2-66.1170-168.4157.50111.4T461 D462 L467 L468 L469T461-K465 WeakPolarHBondContact O-CG 3.46Å; T461-K465 PolarHBondContact O-N 3.15Å; D462-K465 WeakPolarHBondContact O-CB 3.47Å; D462-K465 PolarHBondContact O-N 3.23Å; D462-K465 WeakPolarHBondContact OD1-CE 3.37Å; D462-K465 IonicContact OD1-NZ 2.87Å; D462-K465 PolarHBondContact OD1-NZ 3.02Å; K465-L467 PolarHBondContact O-N 3.15Å; K465-L468 PolarHBondContact O-N 3.18Å; K465-L469 WeakPolarHBondContact O-CB 3.36Å; K465-L469 VanDerWaalsContact O-CG 3.31Å; K465-L469 WeakPolarHBondContact O-CG 3.43Å; K465-L469 PolarHBondContact O-N 3.21Å
466E89.1Confident88.3Confident97 Ų97105.1 Ų105.145%0.45352%0.521SS..Hα-helixtrans-60.8-42.8179.4-163.4-159.2144.300112D462 R463 L464 L469 K470D462-E466 PolarHBondContact O-N 3.01Å; R463-E466 PolarHBondContact O-N 3.12Å; L464-E466 VanDerWaalsContact C-N 3.34Å; E466-L469 PolarHBondContact O-N 2.96Å; E466-K470 WeakPolarHBondContact O-CG 3.42Å; E466-K470 PolarHBondContact O-N 3.06Å; E466-K470 VanDerWaalsContact O-N 3.09Å; E466-K470 WeakPolarHBondContact OE1-CE 3.43Å; E466-K470 IonicContact OE1-NZ 2.66Å; E466-K470 PolarHBondContact OE1-NZ 2.89Å
467L86.7Confident88.4Confident101 Ų101105.1 Ų105.153%0.52952%0.52SS..Hα-helixtrans-65.8-43.8176.1-70.3171000112.2R463 L464 K465 L469 K470 E471R463-L467 WeakPolarHBondContact O-CG 3.43Å; R463-L467 PolarHBondContact O-N 3.47Å; R463-L467 VanDerWaalsContact O-N 3.15Å; L464-L467 PolarHBondContact O-N 3.43Å; K465-L467 PolarHBondContact O-N 3.15Å; L467-L469 VanDerWaalsContact C-N 3.31Å; L467-L469 PolarHBondContact O-N 3.06Å; L467-K470 PolarHBondContact O-N 3.28Å; L467-E471 PolarHBondContact O-N 3.28Å
468L87.9Confident88.7Confident106 Ų106108.5 Ų108.556%0.55553%0.53SS*.Hα-helixtrans-64.1-33.7176-75.8167.2000112.8L464 K465 R472L464-L468 WeakPolarHBondContact O-CG 3.3Å; L464-L468 PolarHBondContact O-N 2.87Å; K465-L468 PolarHBondContact O-N 3.18Å; L468-R472 VanDerWaalsContact O-CB 3.3Å; L468-R472 WeakPolarHBondContact O-CB 3.26Å; L468-R472 PolarHBondContact O-N 3.18Å
469L90.3Very high88.8Confident115 Ų115108.7 Ų108.760%0.60253%0.528SS*.Hα-helixtrans-68-40.6173.8-73.5169.7000111.7K465 E466 L467 R472 S473K465-L469 WeakPolarHBondContact O-CB 3.36Å; K465-L469 VanDerWaalsContact O-CG 3.31Å; K465-L469 WeakPolarHBondContact O-CG 3.43Å; K465-L469 PolarHBondContact O-N 3.21Å; E466-L469 PolarHBondContact O-N 2.96Å; L467-L469 VanDerWaalsContact C-N 3.31Å; L467-L469 PolarHBondContact O-N 3.06Å; L469-R472 PolarHBondContact O-N 3.27Å; L469-S473 PolarHBondContact O-N 3.5Å
470K89.4Confident88.9Confident120 Ų120104.7 Ų104.752%0.52252%0.518SS..Hα-helixtrans-67.7-38.2175.4-74.2170.6171.8175.10112.9E466 L467 R472 S473 G474E466-K470 WeakPolarHBondContact O-CG 3.42Å; E466-K470 PolarHBondContact O-N 3.06Å; E466-K470 VanDerWaalsContact O-N 3.09Å; E466-K470 WeakPolarHBondContact OE1-CE 3.43Å; E466-K470 IonicContact OE1-NZ 2.66Å; E466-K470 PolarHBondContact OE1-NZ 2.89Å; L467-K470 PolarHBondContact O-N 3.28Å; K470-R472 VanDerWaalsContact C-N 3.33Å; K470-S473 PolarHBondContact O-OG 2.83Å; K470-G474 PolarHBondContact O-N 3.25Å; K470-G474 VanDerWaalsContact O-N 3.08Å
471E89.4Confident89.1Confident128 Ų128108.6 Ų108.660%0.59852%0.523SS*.Hα-helixtrans-62.4-42.5171.2-168.6-166.4152.800110.9L467 R475L467-E471 PolarHBondContact O-N 3.28Å; E471-R475 VanDerWaalsContact O-CB 3.3Å; E471-R475 WeakPolarHBondContact O-CB 3.48Å; E471-R475 PolarHBondContact O-N 3.02Å
472R90.1Very high89.2Confident180 Ų180109 Ų10968%0.67953%0.525SS*.Hα-helixtrans-68.6-36.8179.7-172.2175.1178.9-179.9-1.1113.1L468 L469 K470 S476L468-R472 VanDerWaalsContact O-CB 3.3Å; L468-R472 WeakPolarHBondContact O-CB 3.26Å; L468-R472 PolarHBondContact O-N 3.18Å; L469-R472 PolarHBondContact O-N 3.27Å; K470-R472 VanDerWaalsContact C-N 3.33Å; R472-S476 PolarHBondContact O-N 3.48Å; R472-S476 VanDerWaalsContact O-N 3.12Å; R472-S476 PolarHBondContact O-OG 2.97Å
473S88.3Confident89.4Confident56 Ų56108.8 Ų108.839%0.39252%0.522SS..Hα-helixtrans-67.3-51.3174.472.90000110.6L469 K470 R475 S476 E477L469-S473 PolarHBondContact O-N 3.5Å; K470-S473 PolarHBondContact O-OG 2.83Å; S473-R475 VanDerWaalsContact C-N 3.26Å; S473-R475 PolarHBondContact O-N 3.12Å; S473-S476 CarbonylContact O-C 3.6Å; S473-S476 WeakPolarHBondContact O-CA 3.3Å; S473-S476 WeakPolarHBondContact O-CB 3.44Å; S473-S476 PolarHBondContact O-N 2.99Å; S473-E477 VanDerWaalsContact C-OE1 3.32Å; S473-E477 WeakPolarHBondContact O-CG 3.25Å; S473-E477 PolarHBondContact O-N 2.94Å; S473-E477 PolarHBondContact OG-OE1 3.36Å
474G89.5Confident89.5Confident22 Ų22105 Ų10523%0.22751%0.511CS..Hα-helixtrans-58.2-35.6177.200000113.2K470 E477 L478K470-G474 PolarHBondContact O-N 3.25Å; K470-G474 VanDerWaalsContact O-N 3.08Å; G474-E477 PolarHBondContact O-N 2.88Å; G474-L478 WeakPolarHBondContact O-CB 3.32Å; G474-L478 VanDerWaalsContact O-CG 3.3Å; G474-L478 WeakPolarHBondContact O-CG 3.32Å; G474-L478 PolarHBondContact O-N 3.15Å
475R90.2Very high89.5Confident181 Ų181104.3 Ų104.368%0.68351%0.508SS*.Hα-helixtrans-66.6-36.3172-176.5172.6176.4164.10.9113E471 S473 Q479E471-R475 VanDerWaalsContact O-CB 3.3Å; E471-R475 WeakPolarHBondContact O-CB 3.48Å; E471-R475 PolarHBondContact O-N 3.02Å; S473-R475 VanDerWaalsContact C-N 3.26Å; S473-R475 PolarHBondContact O-N 3.12Å; R475-Q479 WeakPolarHBondContact O-CB 3.47Å; R475-Q479 PolarHBondContact O-N 2.71Å
476S89Confident89.6Confident68 Ų68104.2 Ų104.248%0.47651%0.509SS..Hα-helixtrans-70.5-39.9176.7-540000111.3R472 S473 Q479 A480R472-S476 PolarHBondContact O-N 3.48Å; R472-S476 VanDerWaalsContact O-N 3.12Å; R472-S476 PolarHBondContact O-OG 2.97Å; S473-S476 CarbonylContact O-C 3.6Å; S473-S476 WeakPolarHBondContact O-CA 3.3Å; S473-S476 WeakPolarHBondContact O-CB 3.44Å; S473-S476 PolarHBondContact O-N 2.99Å; S476-Q479 PolarHBondContact O-N 3.11Å; S476-A480 WeakPolarHBondContact O-CB 3.45Å; S476-A480 PolarHBondContact O-N 3.17Å
477E88.6Confident89.8Confident125 Ų125103.8 Ų103.858%0.58451%0.514SS*.Hα-helixtrans-62.6-47.3173.9-67.5159.9-133.500111.5S473 G474 Q479 A480 R481S473-E477 VanDerWaalsContact C-OE1 3.32Å; S473-E477 WeakPolarHBondContact O-CG 3.25Å; S473-E477 PolarHBondContact O-N 2.94Å; S473-E477 PolarHBondContact OG-OE1 3.36Å; G474-E477 PolarHBondContact O-N 2.88Å; E477-Q479 PolarHBondContact O-N 3.27Å; E477-A480 PolarHBondContact O-N 3.29Å; E477-R481 PolarHBondContact O-N 3.1Å
478L88.7Confident90Very high123 Ų123106.6 Ų106.664%0.64452%0.517SS*.Hα-helixtrans-62.5-40.1174.8-74170.7000112.1G474 R481 V482G474-L478 WeakPolarHBondContact O-CB 3.32Å; G474-L478 VanDerWaalsContact O-CG 3.3Å; G474-L478 WeakPolarHBondContact O-CG 3.32Å; G474-L478 PolarHBondContact O-N 3.15Å; L478-R481 WeakPolarHBondContact O-CB 3.39Å; L478-R481 PolarHBondContact O-N 3.11Å; L478-V482 WeakPolarHBondContact O-CG2 3.35Å; L478-V482 PolarHBondContact O-N 3.19Å
479Q90.1Very high90Very high106 Ų106105.2 Ų105.250%0.49552%0.515SS..Hα-helixtrans-64.5-43.5175.7-173.3-178.7-39.600111.5R475 S476 E477 R481 V482 E483R475-Q479 WeakPolarHBondContact O-CB 3.47Å; R475-Q479 PolarHBondContact O-N 2.71Å; S476-Q479 PolarHBondContact O-N 3.11Å; E477-Q479 PolarHBondContact O-N 3.27Å; Q479-R481 VanDerWaalsContact C-N 3.28Å; Q479-R481 PolarHBondContact O-N 2.91Å; Q479-V482 PolarHBondContact O-N 3.04Å; Q479-V482 VanDerWaalsContact O-N 3.16Å; Q479-E483 PolarHBondContact NE2-OE1 3.43Å; Q479-E483 WeakPolarHBondContact O-CG 3.48Å; Q479-E483 PolarHBondContact O-N 2.88Å
480A90.1Very high90.1Very high45 Ų45104.3 Ų104.337%0.37251%0.508SS..Hα-helixtrans-60.8-37.9174.900000112S476 E477 V482 E483 E484S476-A480 WeakPolarHBondContact O-CB 3.45Å; S476-A480 PolarHBondContact O-N 3.17Å; E477-A480 PolarHBondContact O-N 3.29Å; A480-V482 VanDerWaalsContact C-N 3.34Å; A480-V482 PolarHBondContact O-N 3.4Å; A480-E483 PolarHBondContact O-N 2.89Å; A480-E484 WeakPolarHBondContact O-CB 3.26Å; A480-E484 PolarHBondContact O-N 3.29Å
481R89.5Confident90.2Very high164 Ų164101.2 Ų101.262%0.61950%0.501SS*.Hα-helixtrans-64.8-35175-155.272.9171.3-121.40.5112.8E477 L478 Q479 L485E477-R481 PolarHBondContact O-N 3.1Å; L478-R481 WeakPolarHBondContact O-CB 3.39Å; L478-R481 PolarHBondContact O-N 3.11Å; Q479-R481 VanDerWaalsContact C-N 3.28Å; Q479-R481 PolarHBondContact O-N 2.91Å; R481-L485 WeakPolarHBondContact O-CB 3.26Å; R481-L485 VanDerWaalsContact O-CG 3.25Å; R481-L485 WeakPolarHBondContact O-CG 3.21Å; R481-L485 PolarHBondContact O-N 3.02Å; R481-L485 VanDerWaalsContact O-N 3.08Å
482V90.5Very high90.1Very high76 Ų7699.5 Ų99.546%0.46150%0.496SS..Hα-helixtrans-72-46.2173.9173.50000110.8L478 Q479 A480 E484 L485 E486L478-V482 WeakPolarHBondContact O-CG2 3.35Å; L478-V482 PolarHBondContact O-N 3.19Å; Q479-V482 PolarHBondContact O-N 3.04Å; Q479-V482 VanDerWaalsContact O-N 3.16Å; A480-V482 VanDerWaalsContact C-N 3.34Å; A480-V482 PolarHBondContact O-N 3.4Å; V482-E484 VanDerWaalsContact C-N 3.28Å; V482-E484 PolarHBondContact O-N 3.36Å; V482-L485 PolarHBondContact O-N 3.34Å; V482-E486 HydrophobicContact CG1-CG 4.33Å; V482-E486 WeakPolarHBondContact O-CG 3.4Å; V482-E486 PolarHBondContact O-N 2.93Å
483E91.9Very high90.2Very high74 Ų7494.5 Ų94.535%0.34649%0.489SS..Hα-helixtrans-55.3-43.3174.1-70.4169.7-16700111K324 Q479 A480 T487K324-E483 IonicContact NZ-OE1 3.82Å; K324-E483 PolarHBondContact NZ-OE1 2.98Å; K324-E483 IonicContact NZ-OE2 2.74Å; K324-E483 PolarHBondContact NZ-OE2 3.37Å; Q479-E483 PolarHBondContact NE2-OE1 3.43Å; Q479-E483 WeakPolarHBondContact O-CG 3.48Å; Q479-E483 PolarHBondContact O-N 2.88Å; A480-E483 PolarHBondContact O-N 2.89Å; E483-T487 WeakPolarHBondContact O-CG2 3.3Å; E483-T487 PolarHBondContact O-N 2.9Å; E483-T487 VanDerWaalsContact O-N 3.15Å; E483-T487 PolarHBondContact O-OG1 2.9Å
484E92.6Very high90.4Very high97 Ų9799.4 Ų99.445%0.45350%0.499SS..Hα-helixtrans-59.8-53.1173.6-171.1-159.7155.800112A480 V482 E486 T487 R488A480-E484 WeakPolarHBondContact O-CB 3.26Å; A480-E484 PolarHBondContact O-N 3.29Å; V482-E484 VanDerWaalsContact C-N 3.28Å; V482-E484 PolarHBondContact O-N 3.36Å; E484-E486 VanDerWaalsContact C-N 3.35Å; E484-E486 PolarHBondContact O-N 3.32Å; E484-T487 PolarHBondContact O-N 3.3Å; E484-T487 PolarHBondContact O-OG1 3.32Å; E484-R488 PolarHBondContact O-N 3.35Å
485L88.5Confident90.4Very high93 Ų93103.7 Ų103.749%0.48751%0.513SS..Hα-helixtrans-62.5-39.1-178.5-74169.4000112.5R481 V482 R488 C489R481-L485 WeakPolarHBondContact O-CB 3.26Å; R481-L485 VanDerWaalsContact O-CG 3.25Å; R481-L485 WeakPolarHBondContact O-CG 3.21Å; R481-L485 PolarHBondContact O-N 3.02Å; R481-L485 VanDerWaalsContact O-N 3.08Å; V482-L485 PolarHBondContact O-N 3.34Å; L485-R488 PolarHBondContact O-N 2.88Å; L485-C489 WeakPolarHBondContact O-CB 3.41Å; L485-C489 PolarHBondContact O-N 3.33Å; L485-C489 PolarHBondContact O-SG 2.9Å; L485-C489 VanDerWaalsContact O-SG 3.41Å
486E91.6Very high90.4Very high111 Ų11199.5 Ų99.552%0.51950%0.504SS..Hα-helixtrans-61.8-45.8175-75.1-178.1-179.500111.8V482 E484 R488 C489 Q490V482-E486 HydrophobicContact CG1-CG 4.33Å; V482-E486 WeakPolarHBondContact O-CG 3.4Å; V482-E486 PolarHBondContact O-N 2.93Å; E484-E486 VanDerWaalsContact C-N 3.35Å; E484-E486 PolarHBondContact O-N 3.32Å; E486-R488 VanDerWaalsContact C-N 3.31Å; E486-R488 PolarHBondContact O-N 2.95Å; E486-C489 PolarHBondContact O-N 2.71Å; E486-Q490 WeakPolarHBondContact O-CG 3.47Å; E486-Q490 PolarHBondContact O-N 3.38Å
487T93.2Very high90.5Very high89 Ų89102.7 Ų102.755%0.54651%0.511SS..Hα-helixtrans-64.2-36.8176.362.50000112.3E483 E484 Q490 S491E483-T487 WeakPolarHBondContact O-CG2 3.3Å; E483-T487 PolarHBondContact O-N 2.9Å; E483-T487 VanDerWaalsContact O-N 3.15Å; E483-T487 PolarHBondContact O-OG1 2.9Å; E484-T487 PolarHBondContact O-N 3.3Å; E484-T487 PolarHBondContact O-OG1 3.32Å; T487-Q490 PolarHBondContact O-N 2.92Å; T487-S491 WeakPolarHBondContact O-CB 3.39Å; T487-S491 PolarHBondContact O-N 3.43Å
488R90.7Very high90.7Very high159 Ų159103.3 Ų103.360%0.651%0.514SS*.Hα-helixtrans-66.9-42.5176.1-169.7172.1-177.3160.60.6112.1E484 L485 E486 S491 L492E484-R488 PolarHBondContact O-N 3.35Å; L485-R488 PolarHBondContact O-N 2.88Å; E486-R488 VanDerWaalsContact C-N 3.31Å; E486-R488 PolarHBondContact O-N 2.95Å; R488-S491 PolarHBondContact O-N 2.89Å; R488-L492 HydrophobicContact CG-CD1 4.32Å; R488-L492 WeakPolarHBondContact O-CG 3.35Å; R488-L492 PolarHBondContact O-N 3.21Å
489C87.1Confident90.5Very high77 Ų77100.1 Ų100.152%0.5251%0.505SS..Hα-helixtrans-61.1-45.7172.8-74.90000111.7L485 E486 S491 L492 S493L485-C489 WeakPolarHBondContact O-CB 3.41Å; L485-C489 PolarHBondContact O-N 3.33Å; L485-C489 PolarHBondContact O-SG 2.9Å; L485-C489 VanDerWaalsContact O-SG 3.41Å; E486-C489 PolarHBondContact O-N 2.71Å; C489-S491 VanDerWaalsContact C-N 3.32Å; C489-S491 PolarHBondContact O-N 2.94Å; C489-L492 PolarHBondContact O-N 3.43Å; C489-S493 PolarHBondContact O-N 3.19Å; C489-S493 PolarHBondContact O-OG 3.31Å
490Q93Very high90.6Very high97 Ų97102.2 Ų102.245%0.45351%0.508SS..Hα-helixtrans-62-37.1176-69.9175.832.400112.9E486 T487 R494E486-Q490 WeakPolarHBondContact O-CG 3.47Å; E486-Q490 PolarHBondContact O-N 3.38Å; T487-Q490 PolarHBondContact O-N 2.92Å; Q490-R494 WeakPolarHBondContact O-CG 3.18Å; Q490-R494 PolarHBondContact O-N 3.37Å; Q490-R494 VanDerWaalsContact O-N 3.16Å
491S90.9Very high90.7Very high54 Ų54102.4 Ų102.438%0.37851%0.507SS..Hα-helixtrans-64.1-49.2175.1-1740000111.5T487 R488 C489 S493 R494 Q495T487-S491 WeakPolarHBondContact O-CB 3.39Å; T487-S491 PolarHBondContact O-N 3.43Å; R488-S491 PolarHBondContact O-N 2.89Å; C489-S491 VanDerWaalsContact C-N 3.32Å; C489-S491 PolarHBondContact O-N 2.94Å; S491-S493 VanDerWaalsContact C-N 3.34Å; S491-S493 PolarHBondContact O-N 2.97Å; S491-R494 PolarHBondContact O-N 2.88Å; S491-Q495 WeakPolarHBondContact O-CG 3.37Å; S491-Q495 PolarHBondContact O-N 2.95Å
492L89.2Confident90.6Very high93 Ų9396.8 Ų96.849%0.48749%0.493SS..Hα-helixtrans-61.3-38.9177-70.8167.9000112.4R488 C489 Q495 L496R488-L492 HydrophobicContact CG-CD1 4.32Å; R488-L492 WeakPolarHBondContact O-CG 3.35Å; R488-L492 PolarHBondContact O-N 3.21Å; C489-L492 PolarHBondContact O-N 3.43Å; L492-Q495 PolarHBondContact O-N 2.94Å; L492-L496 WeakPolarHBondContact O-CB 3.39Å; L492-L496 PolarHBondContact O-N 3.12Å
493S90.6Very high90.4Very high75 Ų7597.6 Ų97.652%0.52449%0.492SS..Hα-helixtrans-61.2-44.1173.9-64.60000112.4C489 S491 L496 E497C489-S493 PolarHBondContact O-N 3.19Å; C489-S493 PolarHBondContact O-OG 3.31Å; S491-S493 VanDerWaalsContact C-N 3.34Å; S491-S493 PolarHBondContact O-N 2.97Å; S493-L496 PolarHBondContact O-N 2.84Å; S493-E497 WeakPolarHBondContact O-CB 3.15Å; S493-E497 PolarHBondContact O-N 2.92Å
494R93.2Very high90.4Very high158 Ų158100 Ų10060%0.59650%0.503SS*.Hα-helixtrans-64.3-42.5176.3-70.7-177.2-171.2106.44.4112.2Q490 S491 L496 E497 Q498Q490-R494 WeakPolarHBondContact O-CG 3.18Å; Q490-R494 PolarHBondContact O-N 3.37Å; Q490-R494 VanDerWaalsContact O-N 3.16Å; S491-R494 PolarHBondContact O-N 2.88Å; R494-L496 VanDerWaalsContact C-N 3.33Å; R494-L496 PolarHBondContact O-N 3.04Å; R494-E497 PolarHBondContact O-N 3.33Å; R494-Q498 VanDerWaalsContact O-CB 3.31Å; R494-Q498 WeakPolarHBondContact O-CB 3.27Å; R494-Q498 PolarHBondContact O-N 3.11Å
495Q90.4Very high90.4Very high112 Ų112101.6 Ų101.652%0.52351%0.51SS..Hα-helixtrans-61.4-41.7176.1-71.8176.2-16.500111.8S491 L492 Q498 A499S491-Q495 WeakPolarHBondContact O-CG 3.37Å; S491-Q495 PolarHBondContact O-N 2.95Å; L492-Q495 PolarHBondContact O-N 2.94Å; Q495-Q498 PolarHBondContact O-N 3.15Å; Q495-A499 WeakPolarHBondContact O-CB 3.41Å; Q495-A499 PolarHBondContact O-N 3.44Å
496L89.3Confident90.3Very high94 Ų94103.1 Ų103.149%0.49252%0.515SS..Hα-helixtrans-67.3-39.8177.9-165.9157.8000111.8L492 S493 R494 A499 R500L492-L496 WeakPolarHBondContact O-CB 3.39Å; L492-L496 PolarHBondContact O-N 3.12Å; S493-L496 PolarHBondContact O-N 2.84Å; R494-L496 VanDerWaalsContact C-N 3.33Å; R494-L496 PolarHBondContact O-N 3.04Å; L496-A499 PolarHBondContact O-N 2.99Å; L496-R500 HydrophobicContact CD2-CG 4.35Å; L496-R500 VanDerWaalsContact CD2-CZ 3.46Å; L496-R500 WeakPolarHBondContact O-CG 3.39Å; L496-R500 PolarHBondContact O-N 3.06Å
497E91.2Very high90.3Very high135 Ų135104.2 Ų104.263%0.63151%0.514SS*.Hα-helixtrans-69.8-39176.6-166.7153.1-12200112.2S493 R494 R500 S501S493-E497 WeakPolarHBondContact O-CB 3.15Å; S493-E497 PolarHBondContact O-N 2.92Å; R494-E497 PolarHBondContact O-N 3.33Å; E497-R500 PolarHBondContact O-N 2.83Å; E497-S501 PolarHBondContact O-N 3.4Å
498Q92.3Very high90.1Very high138 Ų138101.7 Ų101.765%0.64550%0.502SS*.Hα-helixtrans-61.2-46.3171.1-173.9174.4-100111.3R494 Q495 R500 S501 S502R494-Q498 VanDerWaalsContact O-CB 3.31Å; R494-Q498 WeakPolarHBondContact O-CB 3.27Å; R494-Q498 PolarHBondContact O-N 3.11Å; Q495-Q498 PolarHBondContact O-N 3.15Å; Q498-R500 VanDerWaalsContact C-N 3.35Å; Q498-R500 PolarHBondContact O-N 3.26Å; Q498-S501 PolarHBondContact O-N 2.98Å; Q498-S501 VanDerWaalsContact O-N 3.13Å; Q498-S501 PolarHBondContact O-OG 3.42Å; Q498-S502 PolarHBondContact O-N 3.48Å; Q498-S502 PolarHBondContact O-OG 3.11Å
499A85.7Confident90Very high56 Ų5696.1 Ų96.146%0.46349%0.491SS..Hα-helixtrans-63.5-35.1177.200000113.3Q495 L496 S502 E503Q495-A499 WeakPolarHBondContact O-CB 3.41Å; Q495-A499 PolarHBondContact O-N 3.44Å; L496-A499 PolarHBondContact O-N 2.99Å; A499-S502 PolarHBondContact O-OG 3.39Å; A499-E503 WeakPolarHBondContact O-CB 3.18Å; A499-E503 PolarHBondContact O-N 3.01Å
500R91.8Very high90Very high149 Ų14997.2 Ų97.256%0.56249%0.49SS*.Hα-helixtrans-64-44.8169.9-76.6175.9176.1170.20.4111.6L496 E497 Q498 S502 E503 E504L496-R500 HydrophobicContact CD2-CG 4.35Å; L496-R500 VanDerWaalsContact CD2-CZ 3.46Å; L496-R500 WeakPolarHBondContact O-CG 3.39Å; L496-R500 PolarHBondContact O-N 3.06Å; E497-R500 PolarHBondContact O-N 2.83Å; Q498-R500 VanDerWaalsContact C-N 3.35Å; Q498-R500 PolarHBondContact O-N 3.26Å; R500-S502 VanDerWaalsContact C-N 3.31Å; R500-S502 PolarHBondContact O-N 2.94Å; R500-E503 PolarHBondContact O-N 2.66Å; R500-E504 WeakPolarHBondContact O-CG 3.27Å; R500-E504 PolarHBondContact O-N 3.04Å
501S91.1Very high89.8Confident49 Ų4998.2 Ų98.234%0.34350%0.495SS..Hα-helixtrans-65.7-31.4-178.677.20000113.3E497 Q498 Q505E497-S501 PolarHBondContact O-N 3.4Å; Q498-S501 PolarHBondContact O-N 2.98Å; Q498-S501 VanDerWaalsContact O-N 3.13Å; Q498-S501 PolarHBondContact O-OG 3.42Å; S501-Q505 VanDerWaalsContact O-CG 3.25Å; S501-Q505 WeakPolarHBondContact O-CG 3.37Å; S501-Q505 PolarHBondContact O-N 2.78Å; S501-Q505 PolarHBondContact O-NE2 3.45Å
502S87.2Confident89.8Confident47 Ų47103.8 Ų103.833%0.32951%0.508SS..Hα-helixtrans-75.8-39.7170.957.60000112Q498 A499 R500 E504 Q505 H506Q498-S502 PolarHBondContact O-N 3.48Å; Q498-S502 PolarHBondContact O-OG 3.11Å; A499-S502 PolarHBondContact O-OG 3.39Å; R500-S502 VanDerWaalsContact C-N 3.31Å; R500-S502 PolarHBondContact O-N 2.94Å; S502-E504 VanDerWaalsContact C-N 3.32Å; S502-E504 PolarHBondContact O-N 2.89Å; S502-Q505 WeakPolarHBondContact O-CB 3.37Å; S502-Q505 PolarHBondContact O-N 2.74Å; S502-H506 PolarHBondContact O-CD2 3.4Å; S502-H506 PolarHBondContact O-N 3.12Å
503E88.2Confident89.7Confident93 Ų93104.3 Ų104.344%0.43551%0.511SS..Hα-helixtrans-58.5-43.2173.2-164.4-169.6-179.500111.8A499 R500 Q505 H506 R507A499-E503 WeakPolarHBondContact O-CB 3.18Å; A499-E503 PolarHBondContact O-N 3.01Å; R500-E503 PolarHBondContact O-N 2.66Å; E503-Q505 PolarHBondContact O-N 2.98Å; E503-H506 PolarHBondContact O-N 2.89Å; E503-R507 VanDerWaalsContact O-CG 3.31Å; E503-R507 WeakPolarHBondContact O-CG 3.26Å; E503-R507 PolarHBondContact O-N 2.91Å; E503-R507 IonicContact OE1-CZ 2.73Å; E503-R507 VanDerWaalsContact OE1-CZ 3.27Å; E503-R507 IonicContact OE1-NE 2.69Å; E503-R507 PolarHBondContact OE1-NE 3.47Å; E503-R507 IonicContact OE1-NH2 2.66Å; E503-R507 PolarHBondContact OE1-NH2 2.98Å; E503-R507 IonicContact OE2-CZ 3.98Å; E503-R507 IonicContact OE2-NH2 3.66Å; E503-R507 PolarHBondContact OE2-NH2 3.24Å
504E91.8Very high89.5Confident124 Ų124106.8 Ų106.858%0.57951%0.514SS*.Hα-helixtrans-62.3-40.6175.3-74176.3179.800112.3R500 S502 R507 A508R500-E504 WeakPolarHBondContact O-CG 3.27Å; R500-E504 PolarHBondContact O-N 3.04Å; S502-E504 VanDerWaalsContact C-N 3.32Å; S502-E504 PolarHBondContact O-N 2.89Å; E504-R507 PolarHBondContact O-N 3.19Å; E504-A508 WeakPolarHBondContact O-CB 3.39Å; E504-A508 PolarHBondContact O-N 2.79Å
505Q90.8Very high89.3Confident130 Ų130105.6 Ų105.661%0.60752%0.515SS*.Hα-helixtrans-64-40.5173.3-73167.750.800112.2S501 S502 E503 A508 A509S501-Q505 VanDerWaalsContact O-CG 3.25Å; S501-Q505 WeakPolarHBondContact O-CG 3.37Å; S501-Q505 PolarHBondContact O-N 2.78Å; S501-Q505 PolarHBondContact O-NE2 3.45Å; S502-Q505 WeakPolarHBondContact O-CB 3.37Å; S502-Q505 PolarHBondContact O-N 2.74Å; E503-Q505 PolarHBondContact O-N 2.98Å; Q505-A508 PolarHBondContact O-N 3.05Å; Q505-A509 WeakPolarHBondContact O-CB 3.38Å; Q505-A509 PolarHBondContact O-N 2.79Å
506H87.5Confident89.3Confident125 Ų125104.5 Ų104.558%0.57952%0.516SS*.Hα-helixtrans-66.9-41.7175.8-68-52.7000112.1S502 E503 A509 L510S502-H506 PolarHBondContact O-CD2 3.4Å; S502-H506 PolarHBondContact O-N 3.12Å; E503-H506 PolarHBondContact O-N 2.89Å; H506-A509 PolarHBondContact O-N 2.9Å; H506-L510 WeakPolarHBondContact O-CG 3.49Å; H506-L510 PolarHBondContact O-N 3.49Å
507R90.6Very high89.2Confident135 Ų135104.1 Ų104.151%0.50952%0.517SS..Hα-helixtrans-61.3-44.1173.7-70.7172-177.2-174.72.2111.7E503 E504 A509 L510 Q511E503-R507 VanDerWaalsContact O-CG 3.31Å; E503-R507 WeakPolarHBondContact O-CG 3.26Å; E503-R507 PolarHBondContact O-N 2.91Å; E503-R507 IonicContact OE1-CZ 2.73Å; E503-R507 VanDerWaalsContact OE1-CZ 3.27Å; E503-R507 IonicContact OE1-NE 2.69Å; E503-R507 PolarHBondContact OE1-NE 3.47Å; E503-R507 IonicContact OE1-NH2 2.66Å; E503-R507 PolarHBondContact OE1-NH2 2.98Å; E503-R507 IonicContact OE2-CZ 3.98Å; E503-R507 IonicContact OE2-NH2 3.66Å; E503-R507 PolarHBondContact OE2-NH2 3.24Å; E504-R507 PolarHBondContact O-N 3.19Å; R507-A509 VanDerWaalsContact C-N 3.32Å; R507-A509 PolarHBondContact O-N 3.34Å; R507-L510 PolarHBondContact O-N 2.85Å; R507-Q511 WeakPolarHBondContact O-CG 3.43Å; R507-Q511 PolarHBondContact O-N 3.18Å
508A89.4Confident89Confident35 Ų35101.3 Ų101.329%0.28951%0.513SS..Hα-helixtrans-66.6-30.917600000113.1E504 Q505 R512E504-A508 WeakPolarHBondContact O-CB 3.39Å; E504-A508 PolarHBondContact O-N 2.79Å; Q505-A508 PolarHBondContact O-N 3.05Å; A508-R512 WeakPolarHBondContact O-CG 3.36Å; A508-R512 PolarHBondContact O-N 2.9Å
509A89.1Confident89Confident43 Ų43101.2 Ų101.236%0.35551%0.512SS..Hα-helixtrans-71.4-40.7172.500000112.1Q505 H506 R507 R512 L513Q505-A509 WeakPolarHBondContact O-CB 3.38Å; Q505-A509 PolarHBondContact O-N 2.79Å; H506-A509 PolarHBondContact O-N 2.9Å; R507-A509 VanDerWaalsContact C-N 3.32Å; R507-A509 PolarHBondContact O-N 3.34Å; A509-R512 PolarHBondContact O-N 3.48Å; A509-L513 WeakPolarHBondContact O-CG 3.48Å; A509-L513 PolarHBondContact O-N 2.89Å; A509-L513 VanDerWaalsContact O-N 3.1Å
510L86.6Confident89.1Confident99 Ų9999.8 Ų99.852%0.51850%0.503SS..Hα-helixtrans-62.3-46.2174.9-74.6168.1000111.7H506 R507 R512 L513 E514H506-L510 WeakPolarHBondContact O-CG 3.49Å; H506-L510 PolarHBondContact O-N 3.49Å; R507-L510 PolarHBondContact O-N 2.85Å; L510-R512 VanDerWaalsContact C-N 3.31Å; L510-R512 PolarHBondContact O-N 2.73Å; L510-L513 CarbonylContact O-C 3.25Å; L510-L513 WeakPolarHBondContact O-CA 3.46Å; L510-L513 WeakPolarHBondContact O-CB 3.41Å; L510-L513 PolarHBondContact O-N 3.49Å; L510-E514 WeakPolarHBondContact O-CG 3.26Å; L510-E514 PolarHBondContact O-N 2.87Å
511Q89.6Confident88.8Confident118 Ų11896.1 Ų96.155%0.55149%0.494SS*.Hα-helixtrans-56.9-42.1176.6-74.6174.2-22.600112.5R507 L513 E514 E515R507-Q511 WeakPolarHBondContact O-CG 3.43Å; R507-Q511 PolarHBondContact O-N 3.18Å; Q511-L513 VanDerWaalsContact C-N 3.32Å; Q511-L513 PolarHBondContact O-N 3.02Å; Q511-E514 PolarHBondContact O-N 3.28Å; Q511-E515 WeakPolarHBondContact O-CB 3.32Å; Q511-E515 WeakPolarHBondContact O-CG 3.41Å; Q511-E515 PolarHBondContact O-N 3.38Å
512R90.8Very high88.5Confident171 Ų17196.1 Ų96.165%0.64550%0.498SS*.Hα-helixtrans-65.3-34.3174.5-69.5170.7-175.71643.6112.8A508 A509 L510 T516A508-R512 WeakPolarHBondContact O-CG 3.36Å; A508-R512 PolarHBondContact O-N 2.9Å; A509-R512 PolarHBondContact O-N 3.48Å; L510-R512 VanDerWaalsContact C-N 3.31Å; L510-R512 PolarHBondContact O-N 2.73Å; R512-T516 WeakPolarHBondContact O-CG2 3.47Å; R512-T516 PolarHBondContact O-N 2.67Å; R512-T516 PolarHBondContact O-OG1 2.9Å; R512-T516 VanDerWaalsContact O-OG1 3.06Å
513L86Confident88.6Confident104 Ų10498 Ų9855%0.54550%0.504SS..Hα-helixtrans-69.3-43.3174.4-70.7169.2000111A509 L510 Q511 E515 T516 V517A509-L513 WeakPolarHBondContact O-CG 3.48Å; A509-L513 PolarHBondContact O-N 2.89Å; A509-L513 VanDerWaalsContact O-N 3.1Å; L510-L513 CarbonylContact O-C 3.25Å; L510-L513 WeakPolarHBondContact O-CA 3.46Å; L510-L513 WeakPolarHBondContact O-CB 3.41Å; L510-L513 PolarHBondContact O-N 3.49Å; Q511-L513 VanDerWaalsContact C-N 3.32Å; Q511-L513 PolarHBondContact O-N 3.02Å; L513-E515 PolarHBondContact O-N 2.83Å; L513-T516 WeakPolarHBondContact CA-OG1 3.36Å; L513-T516 PolarHBondContact O-N 2.98Å; L513-T516 PolarHBondContact O-OG1 3.25Å; L513-V517 WeakPolarHBondContact O-CG2 3.17Å; L513-V517 PolarHBondContact O-N 3.39Å
514E86.4Confident88.7Confident128 Ų128100.5 Ų100.560%0.59851%0.509SS*.Hα-helixtrans-59.8-43.1173.2-68.6171.4168.400111.9L510 Q511 V517 S518L510-E514 WeakPolarHBondContact O-CG 3.26Å; L510-E514 PolarHBondContact O-N 2.87Å; Q511-E514 PolarHBondContact O-N 3.28Å; E514-V517 PolarHBondContact O-N 2.91Å; E514-S518 WeakPolarHBondContact O-CB 3.3Å; E514-S518 PolarHBondContact O-N 2.88Å
515E90.2Very high88.3Confident133 Ų13397.3 Ų97.362%0.62150%0.504SS*.Hα-helixtrans-59.8-45.2173.4-76.4174.3167.900112.2Q511 L513 H519Q511-E515 WeakPolarHBondContact O-CB 3.32Å; Q511-E515 WeakPolarHBondContact O-CG 3.41Å; Q511-E515 PolarHBondContact O-N 3.38Å; L513-E515 PolarHBondContact O-N 2.83Å; E515-H519 VanDerWaalsContact O-CB 3.3Å; E515-H519 WeakPolarHBondContact O-CB 3.44Å; E515-H519 PolarHBondContact O-N 3.4Å
516T90.2Very high88.1Confident88 Ų8899.8 Ų99.854%0.5451%0.508SS..Hα-helixtrans-70.6-35.3178.751.50000113.6R512 L513 G520R512-T516 WeakPolarHBondContact O-CG2 3.47Å; R512-T516 PolarHBondContact O-N 2.67Å; R512-T516 PolarHBondContact O-OG1 2.9Å; R512-T516 VanDerWaalsContact O-OG1 3.06Å; L513-T516 WeakPolarHBondContact CA-OG1 3.36Å; L513-T516 PolarHBondContact O-N 2.98Å; L513-T516 PolarHBondContact O-OG1 3.25Å; T516-G520 PolarHBondContact O-N 3.49Å
517V86.1Confident88.1Confident86 Ų8698.5 Ų98.552%0.52150%0.502SS..Hα-helixtrans-66.2-49.4172.7170.70000110.3L513 E514 H519 G520 D521L513-V517 WeakPolarHBondContact O-CG2 3.17Å; L513-V517 PolarHBondContact O-N 3.39Å; E514-V517 PolarHBondContact O-N 2.91Å; V517-H519 VanDerWaalsContact C-N 3.29Å; V517-H519 PolarHBondContact O-N 2.88Å; V517-G520 CarbonylContact O-C 3.29Å; V517-G520 WeakPolarHBondContact O-CA 3.45Å; V517-G520 PolarHBondContact O-N 2.7Å; V517-D521 PolarHBondContact O-N 2.97Å
518S88.4Confident87.8Confident77 Ų7797.9 Ų97.954%0.53850%0.504SS..Hα-helixtrans-57.8-39.6175.8-178.60000112.3E514 D521 A522E514-S518 WeakPolarHBondContact O-CB 3.3Å; E514-S518 PolarHBondContact O-N 2.88Å; S518-D521 PolarHBondContact O-N 2.74Å; S518-A522 WeakPolarHBondContact O-CB 3.37Å; S518-A522 PolarHBondContact O-N 2.93Å
519H91.3Very high87.6Confident135 Ų13599.1 Ų99.163%0.62552%0.515SS*.Hα-helixtrans-65.1-42.3173-17186000112.5E515 V517 A522 L523E515-H519 VanDerWaalsContact O-CB 3.3Å; E515-H519 WeakPolarHBondContact O-CB 3.44Å; E515-H519 PolarHBondContact O-N 3.4Å; V517-H519 VanDerWaalsContact C-N 3.29Å; V517-H519 PolarHBondContact O-N 2.88Å; H519-A522 PolarHBondContact O-N 2.93Å; H519-L523 WeakPolarHBondContact O-CB 3.17Å; H519-L523 PolarHBondContact O-N 2.95Å
520G88.2Confident87.5Confident26 Ų26102 Ų10227%0.26852%0.521SS..Hα-helixtrans-62-41.5174.300000112.7T516 V517 L523 R524T516-G520 PolarHBondContact O-N 3.49Å; V517-G520 CarbonylContact O-C 3.29Å; V517-G520 WeakPolarHBondContact O-CA 3.45Å; V517-G520 PolarHBondContact O-N 2.7Å; G520-L523 WeakPolarHBondContact O-CB 3.23Å; G520-L523 PolarHBondContact O-N 2.73Å; G520-R524 WeakPolarHBondContact O-CG 3.49Å; G520-R524 PolarHBondContact O-N 2.82Å
521D85.1Confident87.5Confident72 Ų72102.4 Ų102.439%0.38552%0.52SS..Hα-helixtrans-68-41.5176.6-70.6-25.4000112.2V517 S518 L523 R524 A525V517-D521 PolarHBondContact O-N 2.97Å; S518-D521 PolarHBondContact O-N 2.74Å; D521-L523 VanDerWaalsContact C-N 3.26Å; D521-L523 PolarHBondContact O-N 3.49Å; D521-R524 PolarHBondContact O-N 3.09Å; D521-R524 IonicContact OD1-CZ 3.58Å; D521-R524 IonicContact OD1-NE 3.79Å; D521-R524 PolarHBondContact OD1-NE 3.08Å; D521-R524 IonicContact OD1-NH2 2.65Å; D521-R524 PolarHBondContact OD1-NH2 2.93Å; D521-A525 WeakPolarHBondContact O-CB 3.47Å; D521-A525 PolarHBondContact O-N 2.88Å
522A85.5Confident87.2Confident50 Ų50103.5 Ų103.541%0.41353%0.527SS..Hα-helixtrans-62.1-33.3172.200000112.5S518 H519 R526S518-A522 WeakPolarHBondContact O-CB 3.37Å; S518-A522 PolarHBondContact O-N 2.93Å; H519-A522 PolarHBondContact O-N 2.93Å; A522-R526 VanDerWaalsContact O-CG 3.29Å; A522-R526 WeakPolarHBondContact O-CG 3.37Å; A522-R526 PolarHBondContact O-N 3.32Å
523L89.6Confident87.1Confident87 Ų87101.7 Ų101.746%0.45552%0.524SS..Hα-helixtrans-70.3-48173.6-165.478.7000111.4H519 G520 D521 A525 R526 Q527H519-L523 WeakPolarHBondContact O-CB 3.17Å; H519-L523 PolarHBondContact O-N 2.95Å; G520-L523 WeakPolarHBondContact O-CB 3.23Å; G520-L523 PolarHBondContact O-N 2.73Å; D521-L523 VanDerWaalsContact C-N 3.26Å; D521-L523 PolarHBondContact O-N 3.49Å; L523-A525 PolarHBondContact O-N 3.18Å; L523-R526 WeakPolarHBondContact O-CB 3.33Å; L523-R526 PolarHBondContact O-N 3.07Å; L523-Q527 WeakPolarHBondContact O-CG 3.02Å; L523-Q527 PolarHBondContact O-N 2.98Å
524R89.3Confident87.1Confident145 Ų145103.1 Ų103.155%0.54752%0.522SS..Hα-helixtrans-60-43.9177.9-73.1-168.6-75.2-163.4-0.1111.9G520 D521 R526 Q527 Q528G520-R524 WeakPolarHBondContact O-CG 3.49Å; G520-R524 PolarHBondContact O-N 2.82Å; D521-R524 PolarHBondContact O-N 3.09Å; D521-R524 IonicContact OD1-CZ 3.58Å; D521-R524 IonicContact OD1-NE 3.79Å; D521-R524 PolarHBondContact OD1-NE 3.08Å; D521-R524 IonicContact OD1-NH2 2.65Å; D521-R524 PolarHBondContact OD1-NH2 2.93Å; R524-R526 VanDerWaalsContact C-N 3.32Å; R524-R526 PolarHBondContact O-N 2.89Å; R524-Q527 PolarHBondContact O-N 2.98Å; R524-Q528 WeakPolarHBondContact O-CG 3.3Å; R524-Q528 PolarHBondContact O-N 2.93Å
525A84.1Confident87.1Confident56 Ų56103.2 Ų103.246%0.46352%0.522SS..Hα-helixtrans-62.1-3717600000112.6D521 L523 A529D521-A525 WeakPolarHBondContact O-CB 3.47Å; D521-A525 PolarHBondContact O-N 2.88Å; L523-A525 PolarHBondContact O-N 3.18Å; A525-A529 WeakPolarHBondContact O-CB 3.37Å; A525-A529 PolarHBondContact O-N 3.07Å
526R86.9Confident87Confident183 Ų183101.6 Ų101.669%0.69152%0.515SS*.Hα-helixtrans-67.9-42.6173.6-75.9173.8179.1-168.71.1112.3A522 L523 R524 A529 E530A522-R526 VanDerWaalsContact O-CG 3.29Å; A522-R526 WeakPolarHBondContact O-CG 3.37Å; A522-R526 PolarHBondContact O-N 3.32Å; L523-R526 WeakPolarHBondContact O-CB 3.33Å; L523-R526 PolarHBondContact O-N 3.07Å; R524-R526 VanDerWaalsContact C-N 3.32Å; R524-R526 PolarHBondContact O-N 2.89Å; R526-A529 PolarHBondContact O-N 3.04Å; R526-E530 PolarHBondContact O-N 2.94Å
527Q86.4Confident86.9Confident97 Ų97101.2 Ų101.245%0.45351%0.507SS..Hα-helixtrans-60.7-48.7176.7-72.4170.2-30.600111.1L523 R524 A529 E530 E531L523-Q527 WeakPolarHBondContact O-CG 3.02Å; L523-Q527 PolarHBondContact O-N 2.98Å; R524-Q527 PolarHBondContact O-N 2.98Å; Q527-A529 VanDerWaalsContact C-N 3.32Å; Q527-A529 PolarHBondContact O-N 3.25Å; Q527-E530 PolarHBondContact O-N 2.95Å; Q527-E530 VanDerWaalsContact O-N 3.15Å; Q527-E531 WeakPolarHBondContact O-CG 3.4Å; Q527-E531 PolarHBondContact O-N 3.25Å
528Q85Confident87Confident122 Ų122101.3 Ų101.357%0.5751%0.507SS*.Hα-helixtrans-59.9-39.3175.1-71.4176.1-12.200112.4R524 E531 M532R524-Q528 WeakPolarHBondContact O-CG 3.3Å; R524-Q528 PolarHBondContact O-N 2.93Å; Q528-E531 PolarHBondContact O-N 3.34Å; Q528-M532 WeakPolarHBondContact O-CB 3.36Å; Q528-M532 VanDerWaalsContact O-CG 3.28Å; Q528-M532 WeakPolarHBondContact O-CG 3.47Å; Q528-M532 PolarHBondContact O-N 3.41Å
529A85.1Confident86.9Confident61 Ų61103 Ų10350%0.50451%0.507SS..Hα-helixtrans-65.4-38175.500000112.8A525 R526 Q527 K533A525-A529 WeakPolarHBondContact O-CB 3.37Å; A525-A529 PolarHBondContact O-N 3.07Å; R526-A529 PolarHBondContact O-N 3.04Å; Q527-A529 VanDerWaalsContact C-N 3.32Å; Q527-A529 PolarHBondContact O-N 3.25Å; A529-K533 WeakPolarHBondContact O-CB 3.25Å; A529-K533 PolarHBondContact O-N 2.84Å; A529-K533 VanDerWaalsContact O-N 3.08Å
530E86.6Confident86.6Confident103 Ų103101.3 Ų101.348%0.48150%0.502SS..Hα-helixtrans-68.6-39.1172.6-70.4-170.7-178.700112.6R526 Q527 K533 R534R526-E530 PolarHBondContact O-N 2.94Å; Q527-E530 PolarHBondContact O-N 2.95Å; Q527-E530 VanDerWaalsContact O-N 3.15Å; E530-K533 WeakPolarHBondContact O-CB 3.35Å; E530-K533 PolarHBondContact O-N 2.77Å; E530-R534 VanDerWaalsContact CB-NH1 3.34Å; E530-R534 VanDerWaalsContact O-CG 3.31Å; E530-R534 WeakPolarHBondContact O-CG 3.44Å; E530-R534 PolarHBondContact O-N 2.98Å; E530-R534 IonicContact OE2-CZ 2.63Å; E530-R534 IonicContact OE2-NH1 2.69Å; E530-R534 PolarHBondContact OE2-NH1 2.94Å; E530-R534 IonicContact OE2-NH2 3.69Å; E530-R534 PolarHBondContact OE2-NH2 3.32Å
531E86.5Confident86.7Confident109 Ų109106 Ų10651%0.50952%0.515SS..Hα-helixtrans-66.5-44.3177.7-73.2174167.900112Q527 Q528 K533 R534 H535Q527-E531 WeakPolarHBondContact O-CG 3.4Å; Q527-E531 PolarHBondContact O-N 3.25Å; Q528-E531 PolarHBondContact O-N 3.34Å; E531-K533 VanDerWaalsContact C-N 3.28Å; E531-K533 PolarHBondContact O-N 3.03Å; E531-R534 PolarHBondContact O-N 3.47Å; E531-H535 PolarHBondContact O-N 2.85Å
532M82.7Confident86.7Confident140 Ų140105.3 Ų105.369%0.6952%0.519SS*.Hα-helixtrans-58-41.1170.8-74.7-67.1-69.700111.5Q528 H535 Q536Q528-M532 WeakPolarHBondContact O-CB 3.36Å; Q528-M532 VanDerWaalsContact O-CG 3.28Å; Q528-M532 WeakPolarHBondContact O-CG 3.47Å; Q528-M532 PolarHBondContact O-N 3.41Å; M532-H535 PolarHBondContact O-N 3.19Å; M532-Q536 WeakPolarHBondContact O-CB 3.48Å; M532-Q536 PolarHBondContact O-N 3.18Å
533K88.8Confident86.7Confident134 Ų134104.7 Ų104.758%0.58352%0.515SS*.Hα-helixtrans-64.7-44.4174.9-170-170.8176.7-156.40112A529 E530 E531 H535 Q536 E537A529-K533 WeakPolarHBondContact O-CB 3.25Å; A529-K533 PolarHBondContact O-N 2.84Å; A529-K533 VanDerWaalsContact O-N 3.08Å; E530-K533 WeakPolarHBondContact O-CB 3.35Å; E530-K533 PolarHBondContact O-N 2.77Å; E531-K533 VanDerWaalsContact C-N 3.28Å; E531-K533 PolarHBondContact O-N 3.03Å; K533-H535 VanDerWaalsContact C-N 3.34Å; K533-H535 PolarHBondContact O-N 3.1Å; K533-Q536 PolarHBondContact O-N 2.95Å; K533-E537 WeakPolarHBondContact CE-OE1 3.37Å; K533-E537 IonicContact NZ-OE1 3.11Å; K533-E537 WeakPolarHBondContact O-CG 3.28Å; K533-E537 PolarHBondContact O-N 2.91Å
534R87.1Confident86.5Confident134 Ų134102.6 Ų102.651%0.50651%0.51SS..Hα-helixtrans-59.8-43.3175.4-73.1170.2-175.2114.612.4111.2E530 E531 E537 V538E530-R534 VanDerWaalsContact CB-NH1 3.34Å; E530-R534 VanDerWaalsContact O-CG 3.31Å; E530-R534 WeakPolarHBondContact O-CG 3.44Å; E530-R534 PolarHBondContact O-N 2.98Å; E530-R534 IonicContact OE2-CZ 2.63Å; E530-R534 IonicContact OE2-NH1 2.69Å; E530-R534 PolarHBondContact OE2-NH1 2.94Å; E530-R534 IonicContact OE2-NH2 3.69Å; E530-R534 PolarHBondContact OE2-NH2 3.32Å; E531-R534 PolarHBondContact O-N 3.47Å; R534-E537 PolarHBondContact O-N 2.96Å; R534-V538 WeakPolarHBondContact O-CG2 3.33Å; R534-V538 PolarHBondContact O-N 3.3Å
535H85.9Confident86.4Confident129 Ų129100.9 Ų100.960%0.59751%0.511SS*.Hα-helixtrans-59.2-49.3173-100.9-73.9000111.7E531 M532 K533 E537 V538 E539E531-H535 PolarHBondContact O-N 2.85Å; M532-H535 PolarHBondContact O-N 3.19Å; K533-H535 VanDerWaalsContact C-N 3.34Å; K533-H535 PolarHBondContact O-N 3.1Å; H535-E537 VanDerWaalsContact C-N 3.3Å; H535-E537 PolarHBondContact O-N 3.26Å; H535-V538 PolarHBondContact O-N 3.4Å; H535-E539 PolarHBondContact O-N 3.3Å
536Q87.2Confident86.6Confident100 Ų100104.8 Ų104.847%0.46752%0.517SS..Hα-helixtrans-62.4-36.6179.7-164.567.389.600112.5M532 K533 E539 N540M532-Q536 WeakPolarHBondContact O-CB 3.48Å; M532-Q536 PolarHBondContact O-N 3.18Å; K533-Q536 PolarHBondContact O-N 2.95Å; Q536-E539 PolarHBondContact NE2-OE2 2.63Å; Q536-N540 WeakPolarHBondContact O-CB 3.47Å; Q536-N540 VanDerWaalsContact O-CG 3.27Å; Q536-N540 PolarHBondContact O-N 3.22Å; Q536-N540 PolarHBondContact O-ND2 3.09Å
537E88.5Confident86.6Confident79 Ų79104.1 Ų104.137%0.36952%0.515SS..Hα-helixtrans-65.9-35172.9-74.4-179.7-156.600112.8K533 R534 H535 K541K533-E537 WeakPolarHBondContact CE-OE1 3.37Å; K533-E537 IonicContact NZ-OE1 3.11Å; K533-E537 WeakPolarHBondContact O-CG 3.28Å; K533-E537 PolarHBondContact O-N 2.91Å; R534-E537 PolarHBondContact O-N 2.96Å; H535-E537 VanDerWaalsContact C-N 3.3Å; H535-E537 PolarHBondContact O-N 3.26Å; E537-K541 VanDerWaalsContact O-CD 3.3Å; E537-K541 WeakPolarHBondContact O-CD 3.48Å; E537-K541 VanDerWaalsContact O-CG 3.23Å; E537-K541 WeakPolarHBondContact O-CG 3.25Å; E537-K541 PolarHBondContact O-N 3.37Å
538V87.9Confident86.4Confident88 Ų88105 Ų10553%0.53352%0.519SS..Hα-helixtrans-72-43.2174.7170.50000111.4R534 H535 N540 K541 A542R534-V538 WeakPolarHBondContact O-CG2 3.33Å; R534-V538 PolarHBondContact O-N 3.3Å; H535-V538 PolarHBondContact O-N 3.4Å; V538-N540 VanDerWaalsContact C-N 3.34Å; V538-N540 PolarHBondContact O-N 2.78Å; V538-K541 PolarHBondContact O-N 3.41Å; V538-A542 PolarHBondContact O-N 2.89Å
539E86.1Confident86.5Confident113 Ų113103.3 Ų103.353%0.52851%0.514SS..Hα-helixtrans-59.3-44.1174.1-71.5-170.8152.900111.9H535 Q536 K541 A542 A543H535-E539 PolarHBondContact O-N 3.3Å; Q536-E539 PolarHBondContact NE2-OE2 2.63Å; E539-K541 VanDerWaalsContact C-N 3.32Å; E539-K541 PolarHBondContact O-N 3.34Å; E539-A542 PolarHBondContact O-N 3.45Å; E539-A543 WeakPolarHBondContact O-CB 3.45Å; E539-A543 PolarHBondContact O-N 3.04Å
540N87Confident86.5Confident100 Ų100103.7 Ų103.754%0.53551%0.507SS..Hα-helixtrans-62.3-38176.9-78.4-39.1000112.3Q536 V538 A544Q536-N540 WeakPolarHBondContact O-CB 3.47Å; Q536-N540 VanDerWaalsContact O-CG 3.27Å; Q536-N540 PolarHBondContact O-N 3.22Å; Q536-N540 PolarHBondContact O-ND2 3.09Å; V538-N540 VanDerWaalsContact C-N 3.34Å; V538-N540 PolarHBondContact O-N 2.78Å; N540-A544 PolarHBondContact O-N 3.44Å
541K90Very high86.5Confident124 Ų124104.4 Ų104.454%0.53951%0.513SS..Hα-helixtrans-67.1-43.7173.4-71.5161.6-170.4163.10111.7E537 V538 E539 A543 A544 L545E537-K541 VanDerWaalsContact O-CD 3.3Å; E537-K541 WeakPolarHBondContact O-CD 3.48Å; E537-K541 VanDerWaalsContact O-CG 3.23Å; E537-K541 WeakPolarHBondContact O-CG 3.25Å; E537-K541 PolarHBondContact O-N 3.37Å; V538-K541 PolarHBondContact O-N 3.41Å; E539-K541 VanDerWaalsContact C-N 3.32Å; E539-K541 PolarHBondContact O-N 3.34Å; K541-A543 VanDerWaalsContact C-N 3.34Å; K541-A543 PolarHBondContact O-N 3.07Å; K541-A544 PolarHBondContact O-N 3.36Å; K541-L545 WeakPolarHBondContact O-CG 3.5Å; K541-L545 PolarHBondContact O-N 2.81Å
542A85.3Confident86.3Confident57 Ų57105.3 Ų105.347%0.47152%0.517SS..Hα-helixtrans-62.7-39.7175.600000112.1V538 E539 K546V538-A542 PolarHBondContact O-N 2.89Å; E539-A542 PolarHBondContact O-N 3.45Å; A542-K546 WeakPolarHBondContact O-CB 3.17Å; A542-K546 PolarHBondContact O-N 3.16Å
543A85.1Confident86.4Confident38 Ų38103 Ų10331%0.31450%0.503SS..Hα-helixtrans-66.5-33.9174.600000112.8E539 K541 R547E539-A543 WeakPolarHBondContact O-CB 3.45Å; E539-A543 PolarHBondContact O-N 3.04Å; K541-A543 VanDerWaalsContact C-N 3.34Å; K541-A543 PolarHBondContact O-N 3.07Å; A543-R547 WeakPolarHBondContact O-CG 3.4Å; A543-R547 PolarHBondContact O-N 3Å
544A85.3Confident86.2Confident43 Ų43100.1 Ų100.136%0.35550%0.496SS..Hα-helixtrans-67.4-52.9172.500000111.7N540 K541 K546 R547 E548N540-A544 PolarHBondContact O-N 3.44Å; K541-A544 PolarHBondContact O-N 3.36Å; A544-K546 PolarHBondContact O-N 2.96Å; A544-R547 WeakPolarHBondContact O-CB 3.44Å; A544-R547 PolarHBondContact O-N 3.05Å; A544-E548 PolarHBondContact O-N 2.79Å; A544-E548 VanDerWaalsContact O-N 3.1Å
545L87.7Confident85.9Confident109 Ų10995.6 Ų95.657%0.57149%0.488SS*.Hα-helixtrans-57.7-35.7177.6-69.9168.7000112.3K541 E548 L549K541-L545 WeakPolarHBondContact O-CG 3.5Å; K541-L545 PolarHBondContact O-N 2.81Å; L545-E548 PolarHBondContact O-N 3.4Å; L545-L549 WeakPolarHBondContact O-CB 3.42Å; L545-L549 PolarHBondContact O-N 3.19Å
546K87.8Confident85.7Confident138 Ų13894.3 Ų94.360%0.649%0.489SS*.Hα-helixtrans-63.4-39.3174.5-172.3173.3-179.81780112.6A542 A544 L549 D550A542-K546 WeakPolarHBondContact O-CB 3.17Å; A542-K546 PolarHBondContact O-N 3.16Å; A544-K546 PolarHBondContact O-N 2.96Å; K546-L549 PolarHBondContact O-N 3Å; K546-D550 PolarHBondContact O-N 3.31Å
547R86.3Confident85.5Confident169 Ų16997.4 Ų97.464%0.63850%0.496SS*.Hα-helixtrans-66.3-42.6175-67.2170.2-173127.3-1111.4A543 A544 D550 I551A543-R547 WeakPolarHBondContact O-CG 3.4Å; A543-R547 PolarHBondContact O-N 3Å; A544-R547 WeakPolarHBondContact O-CB 3.44Å; A544-R547 PolarHBondContact O-N 3.05Å; R547-D550 PolarHBondContact O-N 3.39Å; R547-I551 VanDerWaalsContact O-CG1 3.3Å; R547-I551 WeakPolarHBondContact O-CG1 3.5Å; R547-I551 PolarHBondContact O-N 3.43Å
548E83.8Confident85Confident114 Ų11498.6 Ų98.653%0.53350%0.502SS..Hα-helixtrans-61.7-44.2175.4-66.5-175.9147.300111.8A544 L545 D550 I551 Q552A544-E548 PolarHBondContact O-N 2.79Å; A544-E548 VanDerWaalsContact O-N 3.1Å; L545-E548 PolarHBondContact O-N 3.4Å; E548-D550 VanDerWaalsContact C-N 3.31Å; E548-D550 PolarHBondContact O-N 2.96Å; E548-I551 PolarHBondContact O-N 2.9Å; E548-Q552 WeakPolarHBondContact O-CG 3.12Å; E548-Q552 PolarHBondContact O-N 3.07Å
549L86.9Confident84.5Confident88 Ų88100.4 Ų100.446%0.46150%0.504SS..Hα-helixtrans-59.1-41.4175.4-172.876.6000111.9L545 K546 Q552 K553L545-L549 WeakPolarHBondContact O-CB 3.42Å; L545-L549 PolarHBondContact O-N 3.19Å; K546-L549 PolarHBondContact O-N 3Å; L549-Q552 PolarHBondContact O-N 3.38Å; L549-K553 WeakPolarHBondContact O-CG 3.4Å; L549-K553 PolarHBondContact O-N 2.88Å
550D84Confident84.2Confident69 Ų69101.4 Ų101.437%0.36951%0.507SS..Hα-helixtrans-73.1-33.2178.7-70.5-25.3000112.5K546 R547 E548 K553 V554K546-D550 PolarHBondContact O-N 3.31Å; R547-D550 PolarHBondContact O-N 3.39Å; E548-D550 VanDerWaalsContact C-N 3.31Å; E548-D550 PolarHBondContact O-N 2.96Å; D550-K553 PolarHBondContact O-N 3.44Å; D550-K553 WeakPolarHBondContact OD1-CD 3.18Å; D550-K553 IonicContact OD1-NZ 3.42Å; D550-K553 PolarHBondContact OD1-NZ 3.08Å; D550-V554 WeakPolarHBondContact O-CG2 3.16Å; D550-V554 PolarHBondContact O-N 2.9Å; D550-V554 VanDerWaalsContact O-N 3.11Å
551I87.1Confident83.7Confident118 Ų118100.6 Ų100.661%0.60550%0.503SS*.Hα-helixtrans-62.3-45.9168.6-69.4162.9000110.7R547 E548 K553 V554 A555R547-I551 VanDerWaalsContact O-CG1 3.3Å; R547-I551 WeakPolarHBondContact O-CG1 3.5Å; R547-I551 PolarHBondContact O-N 3.43Å; E548-I551 PolarHBondContact O-N 2.9Å; I551-K553 PolarHBondContact O-N 3.31Å; I551-V554 PolarHBondContact O-N 3.05Å; I551-V554 VanDerWaalsContact O-N 3.15Å; I551-A555 PolarHBondContact O-N 2.98Å
552Q81.1Confident83Confident127 Ų127100.1 Ų100.159%0.59350%0.5SS*.Hα-helixtrans-62.1-39.7176.4-72.3-1767.300112.1E548 L549 V554 A555 V556E548-Q552 WeakPolarHBondContact O-CG 3.12Å; E548-Q552 PolarHBondContact O-N 3.07Å; L549-Q552 PolarHBondContact O-N 3.38Å; Q552-V554 VanDerWaalsContact C-N 3.31Å; Q552-V554 PolarHBondContact O-N 3.03Å; Q552-A555 PolarHBondContact O-N 2.73Å; Q552-V556 WeakPolarHBondContact O-CG2 3.23Å; Q552-V556 PolarHBondContact O-N 3.1Å
553K84.7Confident82.6Confident93 Ų93102.1 Ų102.140%0.40450%0.503SS..Hα-helixtrans-60.3-38173.1-72.1168.3-164.31540112.6L549 D550 I551 R557L549-K553 WeakPolarHBondContact O-CG 3.4Å; L549-K553 PolarHBondContact O-N 2.88Å; D550-K553 PolarHBondContact O-N 3.44Å; D550-K553 WeakPolarHBondContact OD1-CD 3.18Å; D550-K553 IonicContact OD1-NZ 3.42Å; D550-K553 PolarHBondContact OD1-NZ 3.08Å; I551-K553 PolarHBondContact O-N 3.31Å; K553-R557 WeakPolarHBondContact O-CG 3.08Å; K553-R557 PolarHBondContact O-N 3.19Å; K553-R557 VanDerWaalsContact O-N 3.15Å
554V85.4Confident82.1Confident72 Ų72105.3 Ų105.344%0.43651%0.511SS..Hα-helixtrans-66.9-43.6175.5171.80000110.8D550 I551 Q552 V556 R557 Q558D550-V554 WeakPolarHBondContact O-CG2 3.16Å; D550-V554 PolarHBondContact O-N 2.9Å; D550-V554 VanDerWaalsContact O-N 3.11Å; I551-V554 PolarHBondContact O-N 3.05Å; I551-V554 VanDerWaalsContact O-N 3.15Å; Q552-V554 VanDerWaalsContact C-N 3.31Å; Q552-V554 PolarHBondContact O-N 3.03Å; V554-V556 PolarHBondContact O-N 3.16Å; V554-R557 PolarHBondContact O-N 3.26Å; V554-Q558 WeakPolarHBondContact O-CG 3.41Å; V554-Q558 PolarHBondContact O-N 2.83Å; V554-Q558 VanDerWaalsContact O-N 3.08Å
555A80.1Confident81.7Confident39 Ų39108.9 Ų108.932%0.32252%0.521SS..Hα-helixtrans-60.2-45.6174.900000112.1I551 Q552 R557 Q558 H559I551-A555 PolarHBondContact O-N 2.98Å; Q552-A555 PolarHBondContact O-N 2.73Å; A555-R557 VanDerWaalsContact C-N 3.29Å; A555-R557 PolarHBondContact O-N 2.85Å; A555-Q558 PolarHBondContact O-N 3.46Å; A555-H559 PolarHBondContact O-CD2 3.38Å; A555-H559 PolarHBondContact O-N 3.24Å
556V83.4Confident81Confident102 Ų102108.8 Ų108.862%0.61852%0.52SS*.Hα-helixtrans-59.5-37.5177.3169.50000112.1Q552 V554 H559 K560Q552-V556 WeakPolarHBondContact O-CG2 3.23Å; Q552-V556 PolarHBondContact O-N 3.1Å; V554-V556 PolarHBondContact O-N 3.16Å; V556-H559 PolarHBondContact O-N 2.98Å; V556-K560 PolarHBondContact O-N 3.27Å
557R81.8Confident80.2Confident165 Ų165107.9 Ų107.962%0.62352%0.518SS*.Hα-helixtrans-63.1-52.4172.6-70.2170.3-174.8178.21.4111.3K553 V554 A555 H559 K560 D561K553-R557 WeakPolarHBondContact O-CG 3.08Å; K553-R557 PolarHBondContact O-N 3.19Å; K553-R557 VanDerWaalsContact O-N 3.15Å; V554-R557 PolarHBondContact O-N 3.26Å; A555-R557 VanDerWaalsContact C-N 3.29Å; A555-R557 PolarHBondContact O-N 2.85Å; R557-H559 PolarHBondContact O-N 3.35Å; R557-H559 VanDerWaalsContact O-N 3.16Å; R557-K560 WeakPolarHBondContact O-CA 3.48Å; R557-K560 WeakPolarHBondContact O-CB 3.49Å; R557-K560 PolarHBondContact O-N 2.8Å; R557-D561 PolarHBondContact O-N 3.21Å
558Q78.5Confident79.7Confident105 Ų105106.2 Ų106.249%0.49152%0.517SS..Hα-helixtrans-57.6-32.5177.5-67.1176.92.100113.3V554 A555 K562V554-Q558 WeakPolarHBondContact O-CG 3.41Å; V554-Q558 PolarHBondContact O-N 2.83Å; V554-Q558 VanDerWaalsContact O-N 3.08Å; A555-Q558 PolarHBondContact O-N 3.46Å; Q558-K562 WeakPolarHBondContact O-CD 3.42Å; Q558-K562 VanDerWaalsContact O-CG 3.3Å; Q558-K562 WeakPolarHBondContact O-CG 3.08Å; Q558-K562 PolarHBondContact O-N 3.41Å
559H77Confident79.1Confident126 Ų126106.2 Ų106.258%0.58352%0.52SS*.Hα-helixtrans-71.3-39.8172.5-81.3-73.9000112.6A555 V556 R557 L563A555-H559 PolarHBondContact O-CD2 3.38Å; A555-H559 PolarHBondContact O-N 3.24Å; V556-H559 PolarHBondContact O-N 2.98Å; R557-H559 PolarHBondContact O-N 3.35Å; R557-H559 VanDerWaalsContact O-N 3.16Å; H559-L563 WeakPolarHBondContact O-CB 3.49Å; H559-L563 PolarHBondContact O-N 3.24Å; H559-L563 VanDerWaalsContact O-N 3.12Å
560K79.8Confident78.3Confident134 Ų134107.6 Ų107.658%0.58353%0.527SS*.Hα-helixtrans-62.8-43.1174.4-173.4-175175.1-173.40112V556 R557 K562 L563 Q564V556-K560 PolarHBondContact O-N 3.27Å; R557-K560 WeakPolarHBondContact O-CA 3.48Å; R557-K560 WeakPolarHBondContact O-CB 3.49Å; R557-K560 PolarHBondContact O-N 2.8Å; K560-K562 PolarHBondContact O-N 3.28Å; K560-L563 WeakPolarHBondContact O-CA 3.06Å; K560-L563 VanDerWaalsContact O-CB 3.26Å; K560-L563 WeakPolarHBondContact O-CB 3.29Å; K560-L563 PolarHBondContact O-N 3.1Å; K560-Q564 PolarHBondContact O-N 2.99Å
561D76.4Confident77.6Confident83 Ų83107 Ų10744%0.44453%0.532SS..Hα-helixtrans-63.2-43.1-178.3-54.3-29.4000111.1R557 L563 Q564 Q565R557-D561 PolarHBondContact O-N 3.21Å; D561-L563 VanDerWaalsContact C-N 3.28Å; D561-L563 PolarHBondContact O-N 3.02Å; D561-Q564 PolarHBondContact O-N 3.37Å; D561-Q565 WeakPolarHBondContact O-CG 3.18Å; D561-Q565 PolarHBondContact O-N 3.43Å; D561-Q565 VanDerWaalsContact O-N 3.1Å
562K76.1Confident76.6Confident113 Ų113104.2 Ų104.249%0.49152%0.523SS..Hα-helixtrans-60.9-35.3171-70.5168.4-175.8173.40112.7Q558 K560 Q565 L566Q558-K562 WeakPolarHBondContact O-CD 3.42Å; Q558-K562 VanDerWaalsContact O-CG 3.3Å; Q558-K562 WeakPolarHBondContact O-CG 3.08Å; Q558-K562 PolarHBondContact O-N 3.41Å; K560-K562 PolarHBondContact O-N 3.28Å; K562-Q565 PolarHBondContact O-N 2.99Å; K562-L566 WeakPolarHBondContact O-CG 3.21Å; K562-L566 PolarHBondContact O-N 2.96Å; K562-L566 VanDerWaalsContact O-N 3.15Å
563L76.1Confident75.6Confident100 Ų100106.8 Ų106.852%0.52453%0.527SS..Hα-helixtrans-69.1-34.5178.5-134.9162.6000111.6H559 K560 D561 H567H559-L563 WeakPolarHBondContact O-CB 3.49Å; H559-L563 PolarHBondContact O-N 3.24Å; H559-L563 VanDerWaalsContact O-N 3.12Å; K560-L563 WeakPolarHBondContact O-CA 3.06Å; K560-L563 VanDerWaalsContact O-CB 3.26Å; K560-L563 WeakPolarHBondContact O-CB 3.29Å; K560-L563 PolarHBondContact O-N 3.1Å; D561-L563 VanDerWaalsContact C-N 3.28Å; D561-L563 PolarHBondContact O-N 3.02Å; L563-H567 VanDerWaalsContact CD2-CE1 3.43Å; L563-H567 WeakPolarHBondContact CD2-CE1 3.29Å; L563-H567 PolarHBondContact O-N 2.97Å; L563-H567 PolarHBondContact O-ND1 2.92Å
564Q74.6Confident74.6Confident105 Ų105107.4 Ų107.449%0.49153%0.532SS..Hα-helixtrans-69-44.9172.2-71.3-175.1-119.800112K560 D561 L566 H567 E568K560-Q564 PolarHBondContact O-N 2.99Å; D561-Q564 PolarHBondContact O-N 3.37Å; Q564-L566 PolarHBondContact O-N 2.81Å; Q564-H567 WeakPolarHBondContact O-CA 3.49Å; Q564-H567 WeakPolarHBondContact O-CB 3.23Å; Q564-H567 PolarHBondContact O-N 2.59Å; Q564-E568 PolarHBondContact O-N 3.44Å
565Q77.1Confident73.1Confident118 Ų118110 Ų11055%0.55154%0.539SS*.Hα-helixtrans-57.2-37.1176.1-70.1172-9.200112.6D561 K562 L569D561-Q565 WeakPolarHBondContact O-CG 3.18Å; D561-Q565 PolarHBondContact O-N 3.43Å; D561-Q565 VanDerWaalsContact O-N 3.1Å; K562-Q565 PolarHBondContact O-N 2.99Å; Q565-L569 PolarHBondContact O-N 3.32Å; Q565-L569 VanDerWaalsContact O-N 3.14Å
566L73.3Confident72Confident107 Ų107114 Ų11456%0.5655%0.551SS**Hα-helixtrans-69.1-32.3174.3-72.3169.8000113.3K562 Q564 L570K562-L566 WeakPolarHBondContact O-CG 3.21Å; K562-L566 PolarHBondContact O-N 2.96Å; K562-L566 VanDerWaalsContact O-N 3.15Å; Q564-L566 PolarHBondContact O-N 2.81Å; L566-L570 WeakPolarHBondContact O-CG 3.45Å; L566-L570 PolarHBondContact O-N 2.81Å; L566-L570 VanDerWaalsContact O-N 3.14Å
567H71.8Confident70.4Confident119 Ų119115 Ų11555%0.55155%0.549SS*.Hα-helixtrans-71-39.7174.5-80.873.5000112.1L563 Q564 L569 L570 A571L563-H567 VanDerWaalsContact CD2-CE1 3.43Å; L563-H567 WeakPolarHBondContact CD2-CE1 3.29Å; L563-H567 PolarHBondContact O-N 2.97Å; L563-H567 PolarHBondContact O-ND1 2.92Å; Q564-H567 WeakPolarHBondContact O-CA 3.49Å; Q564-H567 WeakPolarHBondContact O-CB 3.23Å; Q564-H567 PolarHBondContact O-N 2.59Å; H567-L569 VanDerWaalsContact C-N 3.35Å; H567-L570 PolarHBondContact O-N 2.95Å; H567-A571 WeakPolarHBondContact O-CB 3.47Å; H567-A571 PolarHBondContact O-N 2.98Å
568E75.6Confident69Low133 Ų133114.8 Ų114.862%0.62155%0.548SS*.Hα-helixtrans-65.7-37.1176.2-67.3177.2144.700111.9Q564 A571 S572Q564-E568 PolarHBondContact O-N 3.44Å; E568-A571 PolarHBondContact O-N 3.26Å; E568-S572 WeakPolarHBondContact O-CB 3.1Å; E568-S572 PolarHBondContact O-N 2.68Å; E568-S572 PolarHBondContact O-OG 2.64Å
569L70.8Confident67.5Low114 Ų114116 Ų11660%0.59755%0.551SS**Hα-helixtrans-68-30.4172.9-80167.5000113.8Q565 H567 S572 R573Q565-L569 PolarHBondContact O-N 3.32Å; Q565-L569 VanDerWaalsContact O-N 3.14Å; H567-L569 VanDerWaalsContact C-N 3.35Å; L569-S572 WeakPolarHBondContact CA-OG 3.44Å; L569-S572 PolarHBondContact O-OG 3.24Å; L569-R573 PolarHBondContact O-N 2.94Å
570L69.4Low66Low118 Ų118116.3 Ų116.362%0.61855%0.553SS**Hα-helixtrans-73.8-46.1172.7-79.5165000111.5L566 H567 S572 R573 E574L566-L570 WeakPolarHBondContact O-CG 3.45Å; L566-L570 PolarHBondContact O-N 2.81Å; L566-L570 VanDerWaalsContact O-N 3.14Å; H567-L570 PolarHBondContact O-N 2.95Å; L570-S572 PolarHBondContact O-N 2.99Å; L570-R573 PolarHBondContact O-N 2.84Å; L570-E574 PolarHBondContact O-N 2.96Å
571A69.1Low64.3Low57 Ų57116.9 Ų116.947%0.47156%0.562SS.*Hα-helixtrans-61.4-42.2179.600000112.7H567 E568 E574 Q575H567-A571 WeakPolarHBondContact O-CB 3.47Å; H567-A571 PolarHBondContact O-N 2.98Å; E568-A571 PolarHBondContact O-N 3.26Å; A571-E574 PolarHBondContact O-N 3.32Å; A571-Q575 WeakPolarHBondContact O-CB 3.24Å; A571-Q575 PolarHBondContact O-N 3.32Å
572S65.7Low62.6Low58 Ų58120.8 Ų120.841%0.40658%0.577SS.*Hα-helixtrans-64.7-43.117751.20000112.6E568 L569 L570 E574 Q575 E576E568-S572 WeakPolarHBondContact O-CB 3.1Å; E568-S572 PolarHBondContact O-N 2.68Å; E568-S572 PolarHBondContact O-OG 2.64Å; L569-S572 WeakPolarHBondContact CA-OG 3.44Å; L569-S572 PolarHBondContact O-OG 3.24Å; L570-S572 PolarHBondContact O-N 2.99Å; S572-E574 PolarHBondContact O-N 3.48Å; S572-Q575 PolarHBondContact O-N 2.96Å; S572-E576 WeakPolarHBondContact O-CB 3.48Å; S572-E576 PolarHBondContact O-N 2.97Å
573R62Low61Low181 Ų181122.5 Ų122.568%0.68359%0.591SS**Hα-helixtrans-61.9-40.7173-86.2-172.4165.1-167.5-3.5113.2L569 L570 Q575 E576 H577L569-R573 PolarHBondContact O-N 2.94Å; L570-R573 PolarHBondContact O-N 2.84Å; R573-Q575 VanDerWaalsContact C-N 3.34Å; R573-E576 PolarHBondContact O-N 3.09Å; R573-H577 PolarHBondContact O-CD2 2.87Å; R573-H577 PolarHBondContact O-N 3.07Å
574E62.6Low59.2Low107 Ų107129 Ų12950%0.561%0.609SS.*Hα-helixtrans-65.9-40178.4-156.2-166.5156.200111.4L570 A571 S572 E576 H577 R578L570-E574 PolarHBondContact O-N 2.96Å; A571-E574 PolarHBondContact O-N 3.32Å; S572-E574 PolarHBondContact O-N 3.48Å; E574-E576 VanDerWaalsContact C-N 3.32Å; E574-E576 PolarHBondContact O-N 2.97Å; E574-H577 PolarHBondContact O-N 2.8Å; E574-R578 WeakPolarHBondContact O-CG 3.39Å; E574-R578 PolarHBondContact O-N 2.98Å; E574-R578 VanDerWaalsContact O-N 3.08Å; E574-R578 IonicContact OE1-CZ 2.72Å; E574-R578 IonicContact OE1-NE 2.7Å; E574-R578 PolarHBondContact OE1-NE 2.8Å; E574-R578 IonicContact OE1-NH2 2.87Å; E574-R578 PolarHBondContact OE1-NH2 2.98Å
575Q53.9Low57.2Low127 Ų127132.1 Ų132.159%0.59363%0.628SS**Hα-helixtrans-65.7-33.8175.2-165.7176.219.300112.6A571 S572 R573 K579A571-Q575 WeakPolarHBondContact O-CB 3.24Å; A571-Q575 PolarHBondContact O-N 3.32Å; S572-Q575 PolarHBondContact O-N 2.96Å; R573-Q575 VanDerWaalsContact C-N 3.34Å; Q575-K579 PolarHBondContact O-N 3.23Å
576E56.2Low55.5Low123 Ų123133.2 Ų133.258%0.57563%0.633SS**Hα-helixtrans-72.2-39.5176.2-168.6156.3-129.500112.4S572 R573 E574 R578 K579 Q580S572-E576 WeakPolarHBondContact O-CB 3.48Å; S572-E576 PolarHBondContact O-N 2.97Å; R573-E576 PolarHBondContact O-N 3.09Å; E574-E576 VanDerWaalsContact C-N 3.32Å; E574-E576 PolarHBondContact O-N 2.97Å; E576-R578 PolarHBondContact O-N 3.18Å; E576-K579 PolarHBondContact O-N 3.09Å; E576-Q580 PolarHBondContact O-N 2.67Å
577H51.1Low54.2Low123 Ų123133.5 Ų133.557%0.56964%0.641SS**Hα-helixtrans-62.9-38.7171.7-84.4-63.3000113R573 E574 K579 Q580R573-H577 PolarHBondContact O-CD2 2.87Å; R573-H577 PolarHBondContact O-N 3.07Å; E574-H577 PolarHBondContact O-N 2.8Å; H577-K579 PolarHBondContact O-N 3.17Å; H577-Q580 PolarHBondContact O-N 3.14Å
578R52.6Low53.1Low159 Ų159129.3 Ų129.360%0.663%0.631SS**Hα-helixtrans-61.7-42176.4-70.6174.5-171.7-162.94.7111.9E574 E576 Q580 L581E574-R578 WeakPolarHBondContact O-CG 3.39Å; E574-R578 PolarHBondContact O-N 2.98Å; E574-R578 VanDerWaalsContact O-N 3.08Å; E574-R578 IonicContact OE1-CZ 2.72Å; E574-R578 IonicContact OE1-NE 2.7Å; E574-R578 PolarHBondContact OE1-NE 2.8Å; E574-R578 IonicContact OE1-NH2 2.87Å; E574-R578 PolarHBondContact OE1-NH2 2.98Å; E576-R578 PolarHBondContact O-N 3.18Å; R578-Q580 VanDerWaalsContact C-N 3.27Å; R578-Q580 PolarHBondContact O-N 2.69Å; R578-L581 PolarHBondContact O-N 2.64Å
579K47.2Very low52.4Low131 Ų131125.5 Ų125.557%0.5763%0.626SS**Hα-helixtrans-63.9-25.7176.1-72.9176.8177.8177.60114.2Q575 E576 H577 L581Q575-K579 PolarHBondContact O-N 3.23Å; E576-K579 PolarHBondContact O-N 3.09Å; H577-K579 PolarHBondContact O-N 3.17Å; K579-L581 VanDerWaalsContact C-N 3.33Å
580Q45Very low51.9Low133 Ų133123.4 Ų123.462%0.62163%0.626SS**Hα-helixtrans-79-15.3177.8-68.7177.61000113.3E576 H577 R578E576-Q580 PolarHBondContact O-N 2.67Å; H577-Q580 PolarHBondContact O-N 3.14Å; R578-Q580 VanDerWaalsContact C-N 3.27Å; R578-Q580 PolarHBondContact O-N 2.69Å
581L42.8Very low51.1Low145 Ų145124.1 Ų124.176%0.75963%0.63SS**Hα-helixtrans-88.9-20.2-179.3-88.4152.4000114.1R578 K579 L583R578-L581 PolarHBondContact O-N 2.64Å; K579-L581 VanDerWaalsContact C-N 3.33Å; L581-L583 VanDerWaalsContact C-N 3.27Å; L581-L583 PolarHBondContact O-N 2.8Å
582E41Very low50.2Low165 Ų165127.4 Ų127.477%0.77163%0.634SS**THydrogen-bonded Turntrans-76.2-5.1-176.6-68.2179.9123.600114.7
583L43.6Very low49.9Very low150 Ų150128.4 Ų128.479%0.78563%0.632SS**THydrogen-bonded Turntrans-112.931-166.1-82.5169.6000116.1L581L581-L583 VanDerWaalsContact C-N 3.27Å; L581-L583 PolarHBondContact O-N 2.8Å
584R37.7Very low50Low237 Ų237126.4 Ų126.489%0.89463%0.631SS**SBendtrans-134.991.6174.9-72-167.1172.7-174-1.8115.8
585L33.7Very low50Low169 Ų169124.3 Ų124.389%0.88563%0.631SS**  trans27.698.5145.7-76.1160.5000119.9
586Q40.4Very low50.5Low141 Ų141121.1 Ų121.166%0.65962%0.621SS**  trans16.4118130.5-71.6-71.5-0.500119.9
587P47.2Very low51.3Low113 Ų113118.6 Ų118.673%0.73462%0.616SS**  trans-115.396151.834.8-22.8000111.5
588G47.8Very low52.5Low32 Ų32120.6 Ų120.633%0.3362%0.623SS.*  trans167130.9169.100000115.5Q593G588-Q593 PolarHBondContact O-NE2 2.82Å
589G61Low53.5Low52 Ų52118.4 Ų118.454%0.53662%0.62SS.*  trans-76.8164.715800000110.9D591 F592 Q593G589-D591 VanDerWaalsContact C-N 3.32Å; G589-D591 PolarHBondContact O-N 2.95Å; G589-F592 PolarHBondContact O-N 2.78Å; G589-Q593 PolarHBondContact O-N 2.89Å
590A59.1Low55Low70 Ų70115.3 Ų115.358%0.57961%0.612SS**Hα-helixtrans-51.3-45.2-170.600000113.9F592 Q593 Q594A590-F592 PolarHBondContact O-N 3.14Å; A590-Q593 PolarHBondContact O-N 2.57Å; A590-Q594 WeakPolarHBondContact O-CB 3.32Å; A590-Q594 PolarHBondContact O-N 3.24Å
591D53.5Low56.6Low134 Ų134111.4 Ų111.472%0.71760%0.602SS**Hα-helixtrans-68.8-35.2-177.8-48.9-41.8000112.4G589 A595G589-D591 VanDerWaalsContact C-N 3.32Å; G589-D591 PolarHBondContact O-N 2.95Å; D591-A595 WeakPolarHBondContact O-CB 3.27Å; D591-A595 PolarHBondContact O-N 3.14Å
592F50.7Low58.3Low126 Ų126105.9 Ų105.955%0.55358%0.578SS**Hα-helixtrans-71.7-42.9174-176.2-100.6000111.1G589 A590 Q594 A595 V596G589-F592 PolarHBondContact O-N 2.78Å; A590-F592 PolarHBondContact O-N 3.14Å; F592-Q594 VanDerWaalsContact C-N 3.28Å; F592-Q594 PolarHBondContact O-N 2.97Å; F592-A595 PolarHBondContact O-N 2.84Å; F592-V596 HydrophobicContact CD1-CG2 4.06Å; F592-V596 HydrophobicContact CD2-CG2 4.16Å; F592-V596 HydrophobicContact CE1-CG2 3.75Å; F592-V596 HydrophobicContact CE2-CG2 3.85Å; F592-V596 HydrophobicContact CG-CG2 4.27Å; F592-V596 HydrophobicContact CZ-CG2 3.64Å; F592-V596 VanDerWaalsContact O-CB 3.28Å; F592-V596 WeakPolarHBondContact O-CB 3.21Å; F592-V596 VanDerWaalsContact O-CG2 3.29Å; F592-V596 WeakPolarHBondContact O-CG2 3.47Å; F592-V596 PolarHBondContact O-N 3.45Å
593Q59.9Low60.2Low79 Ų79102 Ų10237%0.36957%0.565SS.*Hα-helixtrans-58.9-40.7172.9-72.8178.8-20.200111.3G588 G589 A590 S597G588-Q593 PolarHBondContact O-NE2 2.82Å; G589-Q593 PolarHBondContact O-N 2.89Å; A590-Q593 PolarHBondContact O-N 2.57Å; Q593-S597 WeakPolarHBondContact O-CB 3.49Å; Q593-S597 PolarHBondContact O-N 3.48Å; Q593-S597 PolarHBondContact O-OG 3.08Å
594Q64Low61.9Low139 Ų13999.7 Ų99.765%0.6555%0.55SS**Hα-helixtrans-73.3-36.6179.9-164.5174.736.900112.7A590 F592 S597 K598A590-Q594 WeakPolarHBondContact O-CB 3.32Å; A590-Q594 PolarHBondContact O-N 3.24Å; F592-Q594 VanDerWaalsContact C-N 3.28Å; F592-Q594 PolarHBondContact O-N 2.97Å; Q594-S597 PolarHBondContact O-OG 3.08Å; Q594-K598 VanDerWaalsContact O-CB 3.29Å; Q594-K598 WeakPolarHBondContact O-CB 3.4Å; Q594-K598 PolarHBondContact O-N 3.43Å
595A60.8Low64Low62 Ų6294.1 Ų94.151%0.51253%0.534SS..Hα-helixtrans-68.3-47.8173.200000111.7D591 F592 K598 E599D591-A595 WeakPolarHBondContact O-CB 3.27Å; D591-A595 PolarHBondContact O-N 3.14Å; F592-A595 PolarHBondContact O-N 2.84Å; A595-K598 PolarHBondContact O-N 2.8Å; A595-E599 PolarHBondContact O-N 3.41Å
596V65.9Low66.3Low61 Ų6191.5 Ų91.537%0.3751%0.513SS..Hα-helixtrans-67.4-43.5180173.10000111.3F592 K598 E599 V600F592-V596 HydrophobicContact CD1-CG2 4.06Å; F592-V596 HydrophobicContact CD2-CG2 4.16Å; F592-V596 HydrophobicContact CE1-CG2 3.75Å; F592-V596 HydrophobicContact CE2-CG2 3.85Å; F592-V596 HydrophobicContact CG-CG2 4.27Å; F592-V596 HydrophobicContact CZ-CG2 3.64Å; F592-V596 VanDerWaalsContact O-CB 3.28Å; F592-V596 WeakPolarHBondContact O-CB 3.21Å; F592-V596 VanDerWaalsContact O-CG2 3.29Å; F592-V596 WeakPolarHBondContact O-CG2 3.47Å; F592-V596 PolarHBondContact O-N 3.45Å; V596-K598 PolarHBondContact O-N 3.46Å; V596-E599 PolarHBondContact O-N 3.31Å; V596-V600 HydrophobicContact CG1-CG2 3.87Å; V596-V600 VanDerWaalsContact O-CB 3.25Å; V596-V600 WeakPolarHBondContact O-CB 3.21Å; V596-V600 WeakPolarHBondContact O-CG2 3.18Å; V596-V600 PolarHBondContact O-N 3.29Å
597S71.8Confident68.4Low69 Ų6992.1 Ų92.148%0.48351%0.509SS..Hα-helixtrans-63.7-30177.669.90000112.5Q593 Q594 A601Q593-S597 WeakPolarHBondContact O-CB 3.49Å; Q593-S597 PolarHBondContact O-N 3.48Å; Q593-S597 PolarHBondContact O-OG 3.08Å; Q594-S597 PolarHBondContact O-OG 3.08Å; S597-A601 WeakPolarHBondContact O-CB 3.21Å; S597-A601 PolarHBondContact O-N 2.87Å
598K76.2Confident70Confident165 Ų16592.5 Ų92.572%0.71750%0.501SS*.Hα-helixtrans-73.7-42178.5-155.4173.5-169.5-179.90112.7Q594 A595 V596 A602Q594-K598 VanDerWaalsContact O-CB 3.29Å; Q594-K598 WeakPolarHBondContact O-CB 3.4Å; Q594-K598 PolarHBondContact O-N 3.43Å; A595-K598 PolarHBondContact O-N 2.8Å; V596-K598 PolarHBondContact O-N 3.46Å; K598-A602 WeakPolarHBondContact O-CB 3.31Å; K598-A602 PolarHBondContact O-N 3.07Å
599E73.9Confident71.8Confident114 Ų11496.1 Ų96.153%0.53351%0.509SS..Hα-helixtrans-76.7-33.2172.2-85.2-64.2163.600112.9A595 V596 A602 V603 R606A595-E599 PolarHBondContact O-N 3.41Å; V596-E599 PolarHBondContact O-N 3.31Å; E599-A602 CarbonylContact O-C 3.07Å; E599-A602 PolarHBondContact O-N 2.96Å; E599-V603 WeakPolarHBondContact O-CB 3.44Å; E599-V603 VanDerWaalsContact O-CG2 3.27Å; E599-V603 WeakPolarHBondContact O-CG2 3.21Å; E599-V603 PolarHBondContact O-N 3.17Å; E599-R606 IonicContact OE2-NH2 2.66Å; E599-R606 PolarHBondContact OE2-NH2 3.01Å
600V78.4Confident73.1Confident65 Ų65101.6 Ų101.639%0.39451%0.514SS..Hα-helixtrans-59.6-50.2170.1167.70000109.5V596 A602 V603 E604V596-V600 HydrophobicContact CG1-CG2 3.87Å; V596-V600 VanDerWaalsContact O-CB 3.25Å; V596-V600 WeakPolarHBondContact O-CB 3.21Å; V596-V600 WeakPolarHBondContact O-CG2 3.18Å; V596-V600 PolarHBondContact O-N 3.29Å; V600-A602 VanDerWaalsContact C-N 3.33Å; V600-A602 PolarHBondContact O-N 2.99Å; V600-V603 PolarHBondContact O-N 3.35Å; V600-E604 HydrophobicContact CG1-CG 4.17Å; V600-E604 VanDerWaalsContact O-CB 3.31Å; V600-E604 WeakPolarHBondContact O-CB 3.4Å; V600-E604 VanDerWaalsContact O-CG 3.28Å; V600-E604 WeakPolarHBondContact O-CG 3.44Å; V600-E604 PolarHBondContact O-N 2.82Å
601A79.3Confident74.1Confident51 Ų51101.8 Ų101.842%0.42150%0.503SS..Hα-helixtrans-60.4-39.317500000112.6S597 Q605S597-A601 WeakPolarHBondContact O-CB 3.21Å; S597-A601 PolarHBondContact O-N 2.87Å; A601-Q605 VanDerWaalsContact O-CB 3.25Å; A601-Q605 WeakPolarHBondContact O-CB 3.34Å; A601-Q605 PolarHBondContact O-N 2.82Å
602A79.4Confident75.6Confident29 Ų2998 Ų9824%0.2449%0.49CS..Hα-helixtrans-69.7-32.2176.700000113K598 E599 V600 R606K598-A602 WeakPolarHBondContact O-CB 3.31Å; K598-A602 PolarHBondContact O-N 3.07Å; E599-A602 CarbonylContact O-C 3.07Å; E599-A602 PolarHBondContact O-N 2.96Å; V600-A602 VanDerWaalsContact C-N 3.33Å; V600-A602 PolarHBondContact O-N 2.99Å; A602-R606 WeakPolarHBondContact O-CB 3.39Å; A602-R606 VanDerWaalsContact O-CG 3.29Å; A602-R606 WeakPolarHBondContact O-CG 3.34Å; A602-R606 PolarHBondContact O-N 2.89Å; A602-R606 VanDerWaalsContact O-N 3.17Å; A602-R606 PolarHBondContact O-NE 2.95Å
603V79.9Confident77.4Confident83 Ų8396.3 Ų96.350%0.50348%0.484SS..Hα-helixtrans-76.7-40.1174.2169.60000110.8E599 V600 R606 R607E599-V603 WeakPolarHBondContact O-CB 3.44Å; E599-V603 VanDerWaalsContact O-CG2 3.27Å; E599-V603 WeakPolarHBondContact O-CG2 3.21Å; E599-V603 PolarHBondContact O-N 3.17Å; V600-V603 PolarHBondContact O-N 3.35Å; V603-R606 CarbonylContact O-C 3.6Å; V603-R606 PolarHBondContact O-N 2.93Å; V603-R607 VanDerWaalsContact O-CB 3.32Å; V603-R607 WeakPolarHBondContact O-CB 3.22Å; V603-R607 PolarHBondContact O-N 2.91Å
604E79.8Confident78.7Confident103 Ų10397.5 Ų97.548%0.48149%0.493SS..Hα-helixtrans-62.8-43.5173.2-75.3177.9160.800111.3V600 R607 Q608V600-E604 HydrophobicContact CG1-CG 4.17Å; V600-E604 VanDerWaalsContact O-CB 3.31Å; V600-E604 WeakPolarHBondContact O-CB 3.4Å; V600-E604 VanDerWaalsContact O-CG 3.28Å; V600-E604 WeakPolarHBondContact O-CG 3.44Å; V600-E604 PolarHBondContact O-N 2.82Å; E604-R607 CarbonylContact O-C 3.54Å; E604-R607 WeakPolarHBondContact O-CB 3.3Å; E604-R607 PolarHBondContact O-N 2.91Å; E604-Q608 WeakPolarHBondContact O-CB 3.26Å; E604-Q608 VanDerWaalsContact O-CG 3.25Å; E604-Q608 WeakPolarHBondContact O-CG 3.28Å; E604-Q608 PolarHBondContact O-N 3.01Å
605Q80.6Confident79.8Confident119 Ų11997.4 Ų97.456%0.55649%0.492SS*.Hα-helixtrans-63.8-43.5174.7-168.6178.432.600111.6A601 R607 Q608 Q609A601-Q605 VanDerWaalsContact O-CB 3.25Å; A601-Q605 WeakPolarHBondContact O-CB 3.34Å; A601-Q605 PolarHBondContact O-N 2.82Å; Q605-R607 VanDerWaalsContact C-N 3.28Å; Q605-R607 PolarHBondContact O-N 2.99Å; Q605-Q608 PolarHBondContact O-N 3.47Å; Q605-Q609 WeakPolarHBondContact O-CB 3.49Å; Q605-Q609 WeakPolarHBondContact O-CG 3.31Å; Q605-Q609 PolarHBondContact O-N 2.79Å
606R83.1Confident81.2Confident115 Ų115100.6 Ų100.643%0.43450%0.496SS..Hα-helixtrans-64.8-29.2173.5-77.7175.9-73.9-170-3.6112.7E599 A602 V603 R610E599-R606 IonicContact OE2-NH2 2.66Å; E599-R606 PolarHBondContact OE2-NH2 3.01Å; A602-R606 WeakPolarHBondContact O-CB 3.39Å; A602-R606 VanDerWaalsContact O-CG 3.29Å; A602-R606 WeakPolarHBondContact O-CG 3.34Å; A602-R606 PolarHBondContact O-N 2.89Å; A602-R606 VanDerWaalsContact O-N 3.17Å; A602-R606 PolarHBondContact O-NE 2.95Å; V603-R606 CarbonylContact O-C 3.6Å; V603-R606 PolarHBondContact O-N 2.93Å; R606-R610 WeakPolarHBondContact O-CG 3.47Å; R606-R610 PolarHBondContact O-N 2.8Å
607R83.9Confident82.4Confident153 Ų153103 Ų10358%0.57750%0.502SS*.Hα-helixtrans-73.8-48.3172.8178.4-178.2166.3-151.1-13.9111V603 E604 Q605 Q609 R610 E611V603-R607 VanDerWaalsContact O-CB 3.32Å; V603-R607 WeakPolarHBondContact O-CB 3.22Å; V603-R607 PolarHBondContact O-N 2.91Å; E604-R607 CarbonylContact O-C 3.54Å; E604-R607 WeakPolarHBondContact O-CB 3.3Å; E604-R607 PolarHBondContact O-N 2.91Å; Q605-R607 VanDerWaalsContact C-N 3.28Å; Q605-R607 PolarHBondContact O-N 2.99Å; R607-Q609 VanDerWaalsContact C-N 3.31Å; R607-Q609 PolarHBondContact O-N 3.28Å; R607-R610 CarbonylContact O-C 3.05Å; R607-R610 PolarHBondContact O-N 2.89Å; R607-R610 VanDerWaalsContact O-N 3.08Å; R607-E611 HydrophobicContact CG-CG 4.34Å; R607-E611 IonicContact CZ-OE1 3.27Å; R607-E611 IonicContact NE-OE1 3.35Å; R607-E611 PolarHBondContact NE-OE1 2.97Å; R607-E611 IonicContact NE-OE2 2.62Å; R607-E611 IonicContact NH2-OE1 2.65Å; R607-E611 PolarHBondContact NH2-OE1 3.06Å; R607-E611 IonicContact NH2-OE2 3.19Å; R607-E611 WeakPolarHBondContact O-CG 3.47Å; R607-E611 PolarHBondContact O-N 3.06Å
608Q81.3Confident83.3Confident122 Ų122104.9 Ų104.957%0.5751%0.506SS*.Hα-helixtrans-59.4-40.7177.2-73.81696.200111.5E604 Q605 E611 A612E604-Q608 WeakPolarHBondContact O-CB 3.26Å; E604-Q608 VanDerWaalsContact O-CG 3.25Å; E604-Q608 WeakPolarHBondContact O-CG 3.28Å; E604-Q608 PolarHBondContact O-N 3.01Å; Q605-Q608 PolarHBondContact O-N 3.47Å; Q608-E611 PolarHBondContact O-N 2.94Å; Q608-A612 WeakPolarHBondContact O-CB 3.39Å; Q608-A612 PolarHBondContact O-N 3.46Å
609Q85Confident83.9Confident108 Ų10899.2 Ų99.251%0.50549%0.49SS..Hα-helixtrans-59.7-45.2172.2-76.5172.6-24.500111.9Q605 R607 A612 E613Q605-Q609 WeakPolarHBondContact O-CB 3.49Å; Q605-Q609 WeakPolarHBondContact O-CG 3.31Å; Q605-Q609 PolarHBondContact O-N 2.79Å; R607-Q609 VanDerWaalsContact C-N 3.31Å; R607-Q609 PolarHBondContact O-N 3.28Å; Q609-A612 PolarHBondContact O-N 2.87Å; Q609-E613 WeakPolarHBondContact O-CG 3.41Å; Q609-E613 PolarHBondContact O-N 3.09Å
610R87.7Confident84.7Confident166 Ų16698.8 Ų98.863%0.62649%0.488SS*.Hα-helixtrans-70.5-33.5177.2-75.5173.8172.4153.8-1.1113.5R606 R607 L614R606-R610 WeakPolarHBondContact O-CG 3.47Å; R606-R610 PolarHBondContact O-N 2.8Å; R607-R610 CarbonylContact O-C 3.05Å; R607-R610 PolarHBondContact O-N 2.89Å; R607-R610 VanDerWaalsContact O-N 3.08Å; R610-L614 VanDerWaalsContact O-CB 3.32Å; R610-L614 WeakPolarHBondContact O-CB 3.47Å; R610-L614 WeakPolarHBondContact O-CD1 3.49Å; R610-L614 WeakPolarHBondContact O-CG 3.45Å; R610-L614 PolarHBondContact O-N 3.35Å
611E81.7Confident85.3Confident74 Ų7496.9 Ų96.935%0.34648%0.482SS..Hα-helixtrans-68.7-36.6172.7-74177.5167.900111R607 Q608 L614 Q615R607-E611 HydrophobicContact CG-CG 4.34Å; R607-E611 IonicContact CZ-OE1 3.27Å; R607-E611 IonicContact NE-OE1 3.35Å; R607-E611 PolarHBondContact NE-OE1 2.97Å; R607-E611 IonicContact NE-OE2 2.62Å; R607-E611 IonicContact NH2-OE1 2.65Å; R607-E611 PolarHBondContact NH2-OE1 3.06Å; R607-E611 IonicContact NH2-OE2 3.19Å; R607-E611 WeakPolarHBondContact O-CG 3.47Å; R607-E611 PolarHBondContact O-N 3.06Å; Q608-E611 PolarHBondContact O-N 2.94Å; E611-L614 PolarHBondContact O-N 3.02Å; E611-Q615 WeakPolarHBondContact O-CB 3.33Å; E611-Q615 VanDerWaalsContact O-CG 3.22Å; E611-Q615 WeakPolarHBondContact O-CG 3.36Å; E611-Q615 PolarHBondContact O-N 2.99Å
612A84.8Confident85.9Confident55 Ų55103.3 Ų103.346%0.45550%0.495SS..Hα-helixtrans-65.6-49.1171.100000112Q608 Q609 L614 Q615 E616Q608-A612 WeakPolarHBondContact O-CB 3.39Å; Q608-A612 PolarHBondContact O-N 3.46Å; Q609-A612 PolarHBondContact O-N 2.87Å; A612-L614 VanDerWaalsContact C-N 3.27Å; A612-L614 PolarHBondContact O-N 3.39Å; A612-Q615 PolarHBondContact O-N 3.42Å; A612-Q615 VanDerWaalsContact O-N 3.16Å; A612-E616 WeakPolarHBondContact O-CB 3.43Å; A612-E616 PolarHBondContact O-N 3.38Å
613E87.6Confident86.4Confident90 Ų90109.2 Ų109.242%0.42152%0.515SS..Hα-helixtrans-56.6-39.6174.5-77.8-176.9-138.100112.6Q609 K617Q609-E613 WeakPolarHBondContact O-CG 3.41Å; Q609-E613 PolarHBondContact O-N 3.09Å; E613-K617 WeakPolarHBondContact O-CB 3.38Å; E613-K617 VanDerWaalsContact O-CD 3.31Å; E613-K617 WeakPolarHBondContact O-CD 3.39Å; E613-K617 VanDerWaalsContact O-CG 3.25Å; E613-K617 WeakPolarHBondContact O-CG 3.37Å; E613-K617 PolarHBondContact O-N 2.81Å; E613-K617 IonicContact OE2-NZ 2.65Å; E613-K617 PolarHBondContact OE2-NZ 3.27Å
614L88.4Confident87Confident105 Ų105111.4 Ų111.455%0.5552%0.523SS..Hα-helixtrans-73.6-36.2178-73.1169.7000111.9R610 E611 A612 L618R610-L614 VanDerWaalsContact O-CB 3.32Å; R610-L614 WeakPolarHBondContact O-CB 3.47Å; R610-L614 WeakPolarHBondContact O-CD1 3.49Å; R610-L614 WeakPolarHBondContact O-CG 3.45Å; R610-L614 PolarHBondContact O-N 3.35Å; E611-L614 PolarHBondContact O-N 3.02Å; A612-L614 VanDerWaalsContact C-N 3.27Å; A612-L614 PolarHBondContact O-N 3.39Å; L614-L618 VanDerWaalsContact O-CB 3.26Å; L614-L618 WeakPolarHBondContact O-CB 3.44Å; L614-L618 WeakPolarHBondContact O-CG 3.29Å; L614-L618 PolarHBondContact O-N 3Å
615Q86.6Confident87.6Confident137 Ų137114.4 Ų114.464%0.6453%0.532SS*.Hα-helixtrans-66.3-38.3172.2-76.517626.800112E611 A612 L618 A619E611-Q615 WeakPolarHBondContact O-CB 3.33Å; E611-Q615 VanDerWaalsContact O-CG 3.22Å; E611-Q615 WeakPolarHBondContact O-CG 3.36Å; E611-Q615 PolarHBondContact O-N 2.99Å; A612-Q615 PolarHBondContact O-N 3.42Å; A612-Q615 VanDerWaalsContact O-N 3.16Å; Q615-L618 PolarHBondContact O-N 2.93Å; Q615-A619 WeakPolarHBondContact O-CB 3.29Å; Q615-A619 PolarHBondContact O-N 2.91Å
616E90.4Very high88.1Confident128 Ų128111 Ų11160%0.59852%0.524SS*.Hα-helixtrans-63.8-52174.6-175165-132.800110.8A612 L618 A619 E620A612-E616 WeakPolarHBondContact O-CB 3.43Å; A612-E616 PolarHBondContact O-N 3.38Å; E616-L618 VanDerWaalsContact C-N 3.27Å; E616-L618 PolarHBondContact O-N 3.23Å; E616-A619 CarbonylContact O-C 3.5Å; E616-A619 WeakPolarHBondContact O-CA 3.48Å; E616-A619 WeakPolarHBondContact O-CB 3.38Å; E616-A619 PolarHBondContact O-N 3.18Å; E616-E620 WeakPolarHBondContact O-CG 3.46Å; E616-E620 PolarHBondContact O-N 3.33Å
617K90.9Very high88.5Confident112 Ų112108 Ų10849%0.48752%0.523SS..Hα-helixtrans-59.8-34.7175.2-71.1160.6-171.2157.60112.7E613 G621E613-K617 WeakPolarHBondContact O-CB 3.38Å; E613-K617 VanDerWaalsContact O-CD 3.31Å; E613-K617 WeakPolarHBondContact O-CD 3.39Å; E613-K617 VanDerWaalsContact O-CG 3.25Å; E613-K617 WeakPolarHBondContact O-CG 3.37Å; E613-K617 PolarHBondContact O-N 2.81Å; E613-K617 IonicContact OE2-NZ 2.65Å; E613-K617 PolarHBondContact OE2-NZ 3.27Å; K617-G621 PolarHBondContact O-N 3.21Å
618L89.9Confident88.9Confident108 Ų108104.2 Ų104.257%0.56551%0.514SS*.Hα-helixtrans-69.7-34.2171.7-78.8171.8000112.7L614 Q615 E616 R622L614-L618 VanDerWaalsContact O-CB 3.26Å; L614-L618 WeakPolarHBondContact O-CB 3.44Å; L614-L618 WeakPolarHBondContact O-CG 3.29Å; L614-L618 PolarHBondContact O-N 3Å; Q615-L618 PolarHBondContact O-N 2.93Å; E616-L618 VanDerWaalsContact C-N 3.27Å; E616-L618 PolarHBondContact O-N 3.23Å; L618-R622 WeakPolarHBondContact O-CB 3.49Å; L618-R622 WeakPolarHBondContact O-CD 3.31Å; L618-R622 WeakPolarHBondContact O-CG 3.49Å; L618-R622 PolarHBondContact O-N 3.45Å
619A89.3Confident89.4Confident46 Ų46103.2 Ų103.238%0.3851%0.509SS..Hα-helixtrans-73-39.9175.500000111.9Q615 E616 R622 K623Q615-A619 WeakPolarHBondContact O-CB 3.29Å; Q615-A619 PolarHBondContact O-N 2.91Å; E616-A619 CarbonylContact O-C 3.5Å; E616-A619 WeakPolarHBondContact O-CA 3.48Å; E616-A619 WeakPolarHBondContact O-CB 3.38Å; E616-A619 PolarHBondContact O-N 3.18Å; A619-R622 PolarHBondContact O-N 2.87Å; A619-K623 WeakPolarHBondContact O-CG 3.26Å; A619-K623 PolarHBondContact O-N 2.89Å
620E90.7Very high89.7Confident105 Ų105102.7 Ų102.749%0.49151%0.51SS..Hα-helixtrans-62.1-48.6170.9-68.4-174.7134.900111.4E616 R622 K623 L624E616-E620 WeakPolarHBondContact O-CG 3.46Å; E616-E620 PolarHBondContact O-N 3.33Å; E620-R622 VanDerWaalsContact C-N 3.31Å; E620-R622 PolarHBondContact O-N 3.04Å; E620-K623 WeakPolarHBondContact O-CB 3.33Å; E620-K623 PolarHBondContact O-N 3.21Å; E620-K623 VanDerWaalsContact O-N 3.09Å; E620-L624 WeakPolarHBondContact O-CG 3.18Å; E620-L624 PolarHBondContact O-N 3.45Å
621G91.6Very high90Very high26 Ų26100.9 Ų100.927%0.26851%0.509SS..Hα-helixtrans-55.6-44.317400000112.3K617 K623 L624 Y625K617-G621 PolarHBondContact O-N 3.21Å; G621-K623 PolarHBondContact O-N 2.84Å; G621-L624 PolarHBondContact O-N 3.1Å; G621-Y625 VanDerWaalsContact O-CD2 3.3Å; G621-Y625 WeakPolarHBondContact O-CD2 3.09Å; G621-Y625 PolarHBondContact O-N 2.88Å
622R91.7Very high90.5Very high186 Ų186103.7 Ų103.770%0.70252%0.52SS*.Hα-helixtrans-63.2-37.6175-75.6168.8-173.9-1602.7113.3L618 A619 E620 A626L618-R622 WeakPolarHBondContact O-CB 3.49Å; L618-R622 WeakPolarHBondContact O-CD 3.31Å; L618-R622 WeakPolarHBondContact O-CG 3.49Å; L618-R622 PolarHBondContact O-N 3.45Å; A619-R622 PolarHBondContact O-N 2.87Å; E620-R622 VanDerWaalsContact C-N 3.31Å; E620-R622 PolarHBondContact O-N 3.04Å; R622-A626 WeakPolarHBondContact O-CB 3.37Å; R622-A626 PolarHBondContact O-N 3.03Å
623K90.3Very high90.9Very high152 Ų152108 Ų10866%0.66152%0.524SS*.Hα-helixtrans-63.9-42.9173.8-72.2169.6-176.9173.40111.5A619 E620 G621 A626 A627A619-K623 WeakPolarHBondContact O-CG 3.26Å; A619-K623 PolarHBondContact O-N 2.89Å; E620-K623 WeakPolarHBondContact O-CB 3.33Å; E620-K623 PolarHBondContact O-N 3.21Å; E620-K623 VanDerWaalsContact O-N 3.09Å; G621-K623 PolarHBondContact O-N 2.84Å; K623-A626 PolarHBondContact O-N 2.74Å; K623-A627 PolarHBondContact O-N 3.14Å
624L92.3Very high91.1Very high129 Ų129109.4 Ų109.468%0.67553%0.533SS*.Hα-helixtrans-66.2-41.8177.6-68.2169.6000111.9E620 G621 A627 L628E620-L624 WeakPolarHBondContact O-CG 3.18Å; E620-L624 PolarHBondContact O-N 3.45Å; G621-L624 PolarHBondContact O-N 3.1Å; L624-A627 PolarHBondContact O-N 3.42Å; L624-L628 WeakPolarHBondContact O-CB 3.37Å; L624-L628 PolarHBondContact O-N 2.96Å
625Y92.2Very high91.2Very high167 Ų167107 Ų10766%0.65553%0.528SS*.Hα-helixtrans-63.8-39.6172.8-88.1-71.7000112.8G621 L628 E629G621-Y625 VanDerWaalsContact O-CD2 3.3Å; G621-Y625 WeakPolarHBondContact O-CD2 3.09Å; G621-Y625 PolarHBondContact O-N 2.88Å; Y625-L628 PolarHBondContact O-N 2.94Å; Y625-E629 PolarHBondContact O-N 3.32Å
626A91.2Very high91.5Very high47 Ų47106.6 Ų106.639%0.38853%0.529SS..Hα-helixtrans-64.7-4417600000112.1R622 K623 L628 E629 D630R622-A626 WeakPolarHBondContact O-CB 3.37Å; R622-A626 PolarHBondContact O-N 3.03Å; K623-A626 PolarHBondContact O-N 2.74Å; A626-L628 VanDerWaalsContact C-N 3.32Å; A626-L628 PolarHBondContact O-N 3.19Å; A626-E629 WeakPolarHBondContact O-CB 3.49Å; A626-E629 PolarHBondContact O-N 3.44Å; A626-D630 PolarHBondContact O-N 3.33Å
627A90.4Very high91.6Very high51 Ų51104.5 Ų104.542%0.42153%0.526SS..Hα-helixtrans-60-41.8174.500000111.9K623 L624 D630 E631K623-A627 PolarHBondContact O-N 3.14Å; L624-A627 PolarHBondContact O-N 3.42Å; A627-D630 PolarHBondContact O-N 3.23Å; A627-E631 WeakPolarHBondContact O-CG 3.28Å; A627-E631 PolarHBondContact O-N 3.28Å
628L93.3Very high91.6Very high74 Ų74103.9 Ų103.939%0.38753%0.526SS..Hα-helixtrans-67-37.3176-170.868.5000112.4L624 Y625 A626 E631 F632L624-L628 WeakPolarHBondContact O-CB 3.37Å; L624-L628 PolarHBondContact O-N 2.96Å; Y625-L628 PolarHBondContact O-N 2.94Å; A626-L628 VanDerWaalsContact C-N 3.32Å; A626-L628 PolarHBondContact O-N 3.19Å; L628-E631 PolarHBondContact O-N 3.19Å; L628-F632 HydrophobicContact CD1-CD2 4.42Å; L628-F632 HydrophobicContact CD1-CE2 4.1Å; L628-F632 HydrophobicContact CD2-CE2 4.26Å; L628-F632 HydrophobicContact CG-CD2 4.02Å; L628-F632 HydrophobicContact CG-CE2 3.88Å; L628-F632 VanDerWaalsContact O-CD2 3.23Å; L628-F632 WeakPolarHBondContact O-CD2 3.31Å; L628-F632 PolarHBondContact O-N 3.34Å
629E92.2Very high91.6Very high102 Ų102102.6 Ų102.648%0.47752%0.517SS..Hα-helixtrans-61.7-41.5170.9-85.1-167.2-143.500112Y625 A626 F632 R633Y625-E629 PolarHBondContact O-N 3.32Å; A626-E629 WeakPolarHBondContact O-CB 3.49Å; A626-E629 PolarHBondContact O-N 3.44Å; E629-F632 PolarHBondContact O-N 2.82Å; E629-R633 WeakPolarHBondContact O-CB 3.42Å; E629-R633 WeakPolarHBondContact O-CD 3.39Å; E629-R633 WeakPolarHBondContact O-CG 3.45Å; E629-R633 PolarHBondContact O-N 2.66Å; E629-R633 IonicContact OE2-CZ 2.72Å; E629-R633 IonicContact OE2-NE 3.92Å; E629-R633 IonicContact OE2-NH2 2.81Å; E629-R633 PolarHBondContact OE2-NH2 3.2Å
630D91.3Very high91.7Very high97 Ų97103.2 Ų103.252%0.51952%0.523SS..Hα-helixtrans-68.6-37.1177.6-73.9-28.2000112A626 A627 R633 M634A626-D630 PolarHBondContact O-N 3.33Å; A627-D630 PolarHBondContact O-N 3.23Å; D630-R633 PolarHBondContact O-N 2.93Å; D630-M634 WeakPolarHBondContact O-CB 3.46Å; D630-M634 PolarHBondContact O-N 2.99Å
631E92.5Very high91.7Very high127 Ų127101.7 Ų101.759%0.59352%0.521SS*.Hα-helixtrans-60.6-45.9169.2-75179.3178.700111.9A627 L628 M634 A635A627-E631 WeakPolarHBondContact O-CG 3.28Å; A627-E631 PolarHBondContact O-N 3.28Å; L628-E631 PolarHBondContact O-N 3.19Å; E631-M634 PolarHBondContact O-N 3.35Å; E631-A635 WeakPolarHBondContact O-CB 3.28Å; E631-A635 PolarHBondContact O-N 2.96Å
632F93.5Very high91.7Very high133 Ų133107.2 Ų107.258%0.58353%0.534SS*.Hα-helixtrans-63.9-39.6175.5-86.6-64.3000112.7L628 E629 M634 A635 L636L628-F632 HydrophobicContact CD1-CD2 4.42Å; L628-F632 HydrophobicContact CD1-CE2 4.1Å; L628-F632 HydrophobicContact CD2-CE2 4.26Å; L628-F632 HydrophobicContact CG-CD2 4.02Å; L628-F632 HydrophobicContact CG-CE2 3.88Å; L628-F632 VanDerWaalsContact O-CD2 3.23Å; L628-F632 WeakPolarHBondContact O-CD2 3.31Å; L628-F632 PolarHBondContact O-N 3.34Å; E629-F632 PolarHBondContact O-N 2.82Å; F632-M634 VanDerWaalsContact C-N 3.35Å; F632-A635 PolarHBondContact O-N 3.31Å; F632-L636 WeakPolarHBondContact O-CB 3.37Å; F632-L636 VanDerWaalsContact O-CG 3.32Å; F632-L636 WeakPolarHBondContact O-CG 3.3Å; F632-L636 PolarHBondContact O-N 3.06Å
633R93.9Very high91.8Very high145 Ų145105.2 Ų105.255%0.54753%0.53SS..Hα-helixtrans-63.8-40.8174.9-71.6162.2-168.5-131.57.8111.4E629 D630 T637E629-R633 WeakPolarHBondContact O-CB 3.42Å; E629-R633 WeakPolarHBondContact O-CD 3.39Å; E629-R633 WeakPolarHBondContact O-CG 3.45Å; E629-R633 PolarHBondContact O-N 2.66Å; E629-R633 IonicContact OE2-CZ 2.72Å; E629-R633 IonicContact OE2-NE 3.92Å; E629-R633 IonicContact OE2-NH2 2.81Å; E629-R633 PolarHBondContact OE2-NH2 3.2Å; D630-R633 PolarHBondContact O-N 2.93Å; R633-T637 WeakPolarHBondContact O-CB 3.42Å; R633-T637 PolarHBondContact O-N 2.81Å; R633-T637 PolarHBondContact O-OG1 3.4Å
634M91.4Very high91.9Very high121 Ų121100.6 Ų100.660%0.59652%0.517SS*.Hα-helixtrans-67.9-42.8176.8-173.1138.453.600111.4D630 E631 F632 T637 I638D630-M634 WeakPolarHBondContact O-CB 3.46Å; D630-M634 PolarHBondContact O-N 2.99Å; E631-M634 PolarHBondContact O-N 3.35Å; F632-M634 VanDerWaalsContact C-N 3.35Å; M634-T637 WeakPolarHBondContact O-CB 3.33Å; M634-T637 PolarHBondContact O-N 3.26Å; M634-I638 HydrophobicContact CG-CD1 4Å; M634-I638 VanDerWaalsContact O-CG1 3.3Å; M634-I638 WeakPolarHBondContact O-CG1 3.45Å; M634-I638 PolarHBondContact O-N 2.87Å
635A90.5Very high91.9Very high55 Ų55100.3 Ų100.346%0.45551%0.512SS..Hα-helixtrans-60.6-44.8173.700000112.6E631 F632 T637 I638 E639E631-A635 WeakPolarHBondContact O-CB 3.28Å; E631-A635 PolarHBondContact O-N 2.96Å; F632-A635 PolarHBondContact O-N 3.31Å; A635-T637 VanDerWaalsContact C-N 3.3Å; A635-T637 PolarHBondContact O-N 3.38Å; A635-I638 PolarHBondContact O-N 2.65Å; A635-E639 PolarHBondContact O-N 3.2Å
636L92.4Very high92Very high127 Ų12796.6 Ų96.667%0.66551%0.507SS*.Hα-helixtrans-63-35.3174.4-75.5169.3000112.5F632 A640F632-L636 WeakPolarHBondContact O-CB 3.37Å; F632-L636 VanDerWaalsContact O-CG 3.32Å; F632-L636 WeakPolarHBondContact O-CG 3.3Å; F632-L636 PolarHBondContact O-N 3.06Å; L636-A640 WeakPolarHBondContact O-CB 3.37Å; L636-A640 PolarHBondContact O-N 2.95Å
637T91.3Very high92Very high85 Ų85100.2 Ų100.252%0.52151%0.514SS..Hα-helixtrans-68.3-45176.5-56.50000111.1R633 M634 A635 A640 T641R633-T637 WeakPolarHBondContact O-CB 3.42Å; R633-T637 PolarHBondContact O-N 2.81Å; R633-T637 PolarHBondContact O-OG1 3.4Å; M634-T637 WeakPolarHBondContact O-CB 3.33Å; M634-T637 PolarHBondContact O-N 3.26Å; A635-T637 VanDerWaalsContact C-N 3.3Å; A635-T637 PolarHBondContact O-N 3.38Å; T637-A640 PolarHBondContact O-N 3.18Å; T637-T641 PolarHBondContact O-N 2.96Å; T637-T641 PolarHBondContact O-OG1 3.4Å
638I91Very high92.1Very high98 Ų98103.2 Ų103.250%0.50352%0.519SS..Hα-helixtrans-62.4-43.8177.4-69.6163000111.1M634 A635 T641 R642M634-I638 HydrophobicContact CG-CD1 4Å; M634-I638 VanDerWaalsContact O-CG1 3.3Å; M634-I638 WeakPolarHBondContact O-CG1 3.45Å; M634-I638 PolarHBondContact O-N 2.87Å; A635-I638 PolarHBondContact O-N 2.65Å; I638-T641 PolarHBondContact O-N 3.01Å; I638-T641 PolarHBondContact O-OG1 3Å; I638-R642 WeakPolarHBondContact O-CB 3.29Å; I638-R642 PolarHBondContact O-N 3.01Å
639E91.3Very high91.9Very high81 Ų81102.4 Ų102.438%0.37952%0.523SS..Hα-helixtrans-71.9-32.4178.9-160.269.7174.900111.3A635 R642 F643A635-E639 PolarHBondContact O-N 3.2Å; E639-R642 VanDerWaalsContact O-CB 3.31Å; E639-R642 WeakPolarHBondContact O-CB 3.25Å; E639-R642 PolarHBondContact O-N 3.09Å; E639-R642 IonicContact OE1-NH1 3.64Å; E639-R642 VanDerWaalsContact OE2-CD 3.22Å; E639-R642 WeakPolarHBondContact OE2-CD 3.43Å; E639-R642 IonicContact OE2-NH1 3.85Å; E639-R642 PolarHBondContact OE2-NH1 3.23Å; E639-R642 VanDerWaalsContact OE2-NH1 3.07Å; E639-F643 HydrophobicContact CG-CD2 4.14Å; E639-F643 HydrophobicContact CG-CE2 3.84Å; E639-F643 WeakPolarHBondContact O-CD2 3.48Å; E639-F643 PolarHBondContact O-N 2.82Å
640A91.8Very high91.8Very high60 Ų60101 Ų10150%0.49652%0.524SS..Hα-helixtrans-65.4-40.517200000113.1L636 T637 R642 F643 S644L636-A640 WeakPolarHBondContact O-CB 3.37Å; L636-A640 PolarHBondContact O-N 2.95Å; T637-A640 PolarHBondContact O-N 3.18Å; A640-R642 VanDerWaalsContact C-N 3.32Å; A640-F643 PolarHBondContact O-N 3.4Å; A640-S644 PolarHBondContact O-N 2.95Å
641T90.5Very high91.8Very high73 Ų73100.1 Ų100.145%0.44852%0.519SS..Hα-helixtrans-64.2-40.1172.449.60000111.1T637 I638 F643 S644 E645T637-T641 PolarHBondContact O-N 2.96Å; T637-T641 PolarHBondContact O-OG1 3.4Å; I638-T641 PolarHBondContact O-N 3.01Å; I638-T641 PolarHBondContact O-OG1 3Å; T641-F643 PolarHBondContact O-N 2.89Å; T641-S644 WeakPolarHBondContact O-CA 3.43Å; T641-S644 VanDerWaalsContact O-CB 3.31Å; T641-S644 WeakPolarHBondContact O-CB 3.32Å; T641-S644 PolarHBondContact O-N 3.5Å; T641-E645 WeakPolarHBondContact O-CG 3.24Å; T641-E645 PolarHBondContact O-N 3.27Å
642R91Very high91.7Very high142 Ų14299.9 Ų99.954%0.53652%0.517SS..Hα-helixtrans-59.4-41.9174.1-126.6175.4173-165.2-3.3113.3I638 E639 A640 S644 E645 V646I638-R642 WeakPolarHBondContact O-CB 3.29Å; I638-R642 PolarHBondContact O-N 3.01Å; E639-R642 VanDerWaalsContact O-CB 3.31Å; E639-R642 WeakPolarHBondContact O-CB 3.25Å; E639-R642 PolarHBondContact O-N 3.09Å; E639-R642 IonicContact OE1-NH1 3.64Å; E639-R642 VanDerWaalsContact OE2-CD 3.22Å; E639-R642 WeakPolarHBondContact OE2-CD 3.43Å; E639-R642 IonicContact OE2-NH1 3.85Å; E639-R642 PolarHBondContact OE2-NH1 3.23Å; E639-R642 VanDerWaalsContact OE2-NH1 3.07Å; A640-R642 VanDerWaalsContact C-N 3.32Å; R642-S644 VanDerWaalsContact C-N 3.3Å; R642-E645 PolarHBondContact O-N 3.07Å; R642-V646 WeakPolarHBondContact O-CB 3.43Å; R642-V646 WeakPolarHBondContact O-CG2 3.38Å; R642-V646 PolarHBondContact O-N 3.24Å
643F93.3Very high91.6Very high144 Ų14498.9 Ų98.963%0.63252%0.516SS*.Hα-helixtrans-66.2-31.8173.5-83.2-63.9000112.3E639 A640 T641 K647E639-F643 HydrophobicContact CG-CD2 4.14Å; E639-F643 HydrophobicContact CG-CE2 3.84Å; E639-F643 WeakPolarHBondContact O-CD2 3.48Å; E639-F643 PolarHBondContact O-N 2.82Å; A640-F643 PolarHBondContact O-N 3.4Å; T641-F643 PolarHBondContact O-N 2.89Å; F643-K647 VanDerWaalsContact O-CB 3.24Å; F643-K647 WeakPolarHBondContact O-CB 3.19Å; F643-K647 PolarHBondContact O-N 2.9Å
644S92.7Very high91.5Very high55 Ų5595.7 Ų95.739%0.38551%0.513SS..Hα-helixtrans-66.3-50.3171-151.70000111.2A640 T641 R642 V646 K647 E648A640-S644 PolarHBondContact O-N 2.95Å; T641-S644 WeakPolarHBondContact O-CA 3.43Å; T641-S644 VanDerWaalsContact O-CB 3.31Å; T641-S644 WeakPolarHBondContact O-CB 3.32Å; T641-S644 PolarHBondContact O-N 3.5Å; R642-S644 VanDerWaalsContact C-N 3.3Å; S644-V646 PolarHBondContact O-N 3.32Å; S644-K647 CarbonylContact O-C 3.59Å; S644-K647 WeakPolarHBondContact O-CB 3.47Å; S644-K647 PolarHBondContact O-N 3.01Å; S644-K647 VanDerWaalsContact O-N 3.09Å; S644-E648 WeakPolarHBondContact CB-OE1 3.48Å; S644-E648 WeakPolarHBondContact O-CB 3.38Å; S644-E648 VanDerWaalsContact O-CG 3.32Å; S644-E648 WeakPolarHBondContact O-CG 3.42Å; S644-E648 PolarHBondContact O-N 3.1Å; S644-E648 PolarHBondContact OG-OE1 3.43Å
645E92.1Very high91.4Very high123 Ų12392.5 Ų92.558%0.57551%0.506SS*.Hα-helixtrans-56-46.4177.6-69.4167.2-176.500112.2T641 R642 E648 A649T641-E645 WeakPolarHBondContact O-CG 3.24Å; T641-E645 PolarHBondContact O-N 3.27Å; R642-E645 PolarHBondContact O-N 3.07Å; E645-E648 PolarHBondContact O-N 2.76Å; E645-A649 WeakPolarHBondContact O-CB 3.48Å; E645-A649 PolarHBondContact O-N 2.78Å
646V93.8Very high91.4Very high88 Ų8894.4 Ų94.453%0.53351%0.505SS..Hα-helixtrans-66-39.4176.8171.10000111.5R642 S644 A649 C650R642-V646 WeakPolarHBondContact O-CB 3.43Å; R642-V646 WeakPolarHBondContact O-CG2 3.38Å; R642-V646 PolarHBondContact O-N 3.24Å; S644-V646 PolarHBondContact O-N 3.32Å; V646-A649 PolarHBondContact O-N 2.95Å; V646-C650 PolarHBondContact O-N 2.89Å; V646-C650 PolarHBondContact O-SG 3Å
647K91.8Very high91.3Very high123 Ų12392.6 Ų92.654%0.53550%0.496SS..Hα-helixtrans-65.2-46.9175.7-173.2-168.2171.8-90.50111.2F643 S644 A649 C650 D651F643-K647 VanDerWaalsContact O-CB 3.24Å; F643-K647 WeakPolarHBondContact O-CB 3.19Å; F643-K647 PolarHBondContact O-N 2.9Å; S644-K647 CarbonylContact O-C 3.59Å; S644-K647 WeakPolarHBondContact O-CB 3.47Å; S644-K647 PolarHBondContact O-N 3.01Å; S644-K647 VanDerWaalsContact O-N 3.09Å; K647-A649 VanDerWaalsContact C-N 3.29Å; K647-A649 PolarHBondContact O-N 2.87Å; K647-C650 CarbonylContact O-C 3.55Å; K647-C650 WeakPolarHBondContact O-CB 3.47Å; K647-C650 PolarHBondContact O-N 2.82Å; K647-C650 VanDerWaalsContact O-N 3.07Å; K647-D651 IonicContact NZ-OD2 3.76Å; K647-D651 PolarHBondContact NZ-OD2 2.85Å; K647-D651 WeakPolarHBondContact O-CB 3.39Å; K647-D651 PolarHBondContact O-N 2.91Å
648E91.7Very high91.2Very high115 Ų11594.3 Ų94.354%0.53750%0.499SS..Hα-helixtrans-61-38.6178.2-73164.2-132.200111.1S644 E645 D651 H652S644-E648 WeakPolarHBondContact CB-OE1 3.48Å; S644-E648 WeakPolarHBondContact O-CB 3.38Å; S644-E648 VanDerWaalsContact O-CG 3.32Å; S644-E648 WeakPolarHBondContact O-CG 3.42Å; S644-E648 PolarHBondContact O-N 3.1Å; S644-E648 PolarHBondContact OG-OE1 3.43Å; E645-E648 PolarHBondContact O-N 2.76Å; E648-D651 PolarHBondContact O-N 3.08Å; E648-H652 VanDerWaalsContact O-CB 3.32Å; E648-H652 WeakPolarHBondContact O-CB 3.5Å; E648-H652 PolarHBondContact O-N 3.19Å
649A89.5Confident91.2Very high57 Ų5796.4 Ų96.447%0.47151%0.507SS..Hα-helixtrans-64.7-39171.500000113E645 V646 K647 M653E645-A649 WeakPolarHBondContact O-CB 3.48Å; E645-A649 PolarHBondContact O-N 2.78Å; V646-A649 PolarHBondContact O-N 2.95Å; K647-A649 VanDerWaalsContact C-N 3.29Å; K647-A649 PolarHBondContact O-N 2.87Å; A649-M653 VanDerWaalsContact O-CB 3.26Å; A649-M653 WeakPolarHBondContact O-CB 3.35Å; A649-M653 PolarHBondContact O-N 3.02Å
650C90.1Very high91.1Very high73 Ų7397.9 Ų97.949%0.49352%0.517SS..Hα-helixtrans-68.9-39.7173.6-74.80000113V646 K647 H652 M653 T654V646-C650 PolarHBondContact O-N 2.89Å; V646-C650 PolarHBondContact O-SG 3Å; K647-C650 CarbonylContact O-C 3.55Å; K647-C650 WeakPolarHBondContact O-CB 3.47Å; K647-C650 PolarHBondContact O-N 2.82Å; K647-C650 VanDerWaalsContact O-N 3.07Å; C650-H652 VanDerWaalsContact C-N 3.32Å; C650-M653 PolarHBondContact O-N 3.35Å; C650-T654 WeakPolarHBondContact O-CB 3.48Å; C650-T654 WeakPolarHBondContact O-CG2 3.11Å; C650-T654 PolarHBondContact O-N 3.39Å; C650-T654 PolarHBondContact O-OG1 2.86Å
651D92.1Very high91.1Very high77 Ų77101.3 Ų101.341%0.41252%0.521SS..Hα-helixtrans-65.4-36.8175.5-69.9-16.6000110.3K647 E648 T654 A655K647-D651 IonicContact NZ-OD2 3.76Å; K647-D651 PolarHBondContact NZ-OD2 2.85Å; K647-D651 WeakPolarHBondContact O-CB 3.39Å; K647-D651 PolarHBondContact O-N 2.91Å; E648-D651 PolarHBondContact O-N 3.08Å; D651-T654 WeakPolarHBondContact CA-OG1 3.26Å; D651-T654 PolarHBondContact O-OG1 3.37Å; D651-T654 VanDerWaalsContact O-OG1 3.08Å; D651-A655 PolarHBondContact O-N 3.28Å; D651-A655 VanDerWaalsContact O-N 3.08Å
652H91.2Very high91.1Very high122 Ų122101.6 Ų101.657%0.56552%0.523SS*.Hα-helixtrans-69.2-49.3173.7-15971.7000112.3E648 C650 T654 A655 E656E648-H652 VanDerWaalsContact O-CB 3.32Å; E648-H652 WeakPolarHBondContact O-CB 3.5Å; E648-H652 PolarHBondContact O-N 3.19Å; C650-H652 VanDerWaalsContact C-N 3.32Å; H652-T654 PolarHBondContact O-N 3.3Å; H652-A655 WeakPolarHBondContact O-CA 3.4Å; H652-A655 WeakPolarHBondContact O-CB 3.45Å; H652-A655 PolarHBondContact O-N 3Å; H652-E656 PolarHBondContact O-N 3.35Å
653M89.9Confident90.9Very high112 Ų11297.5 Ų97.555%0.55252%0.515SS*.Hα-helixtrans-57.5-35.2176.2-174.286.36400112.1A649 C650 L657A649-M653 VanDerWaalsContact O-CB 3.26Å; A649-M653 WeakPolarHBondContact O-CB 3.35Å; A649-M653 PolarHBondContact O-N 3.02Å; C650-M653 PolarHBondContact O-N 3.35Å; M653-L657 WeakPolarHBondContact O-CB 3.49Å; M653-L657 WeakPolarHBondContact O-CG 3.44Å; M653-L657 PolarHBondContact O-N 2.71Å
654T92Very high90.7Very high78 Ų7895.3 Ų95.348%0.47951%0.51SS..Hα-helixtrans-76.7-30175.548.80000113C650 D651 H652 M658C650-T654 WeakPolarHBondContact O-CB 3.48Å; C650-T654 WeakPolarHBondContact O-CG2 3.11Å; C650-T654 PolarHBondContact O-N 3.39Å; C650-T654 PolarHBondContact O-OG1 2.86Å; D651-T654 WeakPolarHBondContact CA-OG1 3.26Å; D651-T654 PolarHBondContact O-OG1 3.37Å; D651-T654 VanDerWaalsContact O-OG1 3.08Å; H652-T654 PolarHBondContact O-N 3.3Å; T654-M658 WeakPolarHBondContact O-CG 3.42Å; T654-M658 PolarHBondContact O-N 3.48Å; T654-M658 VanDerWaalsContact O-N 3.09Å
655A90.3Very high90.5Very high55 Ų5595.3 Ų95.346%0.45551%0.513SS..Hα-helixtrans-65.8-47.5168.400000111.9D651 H652 L657 M658 E659D651-A655 PolarHBondContact O-N 3.28Å; D651-A655 VanDerWaalsContact O-N 3.08Å; H652-A655 WeakPolarHBondContact O-CA 3.4Å; H652-A655 WeakPolarHBondContact O-CB 3.45Å; H652-A655 PolarHBondContact O-N 3Å; A655-L657 VanDerWaalsContact C-N 3.33Å; A655-L657 PolarHBondContact O-N 2.86Å; A655-M658 WeakPolarHBondContact O-CA 3.46Å; A655-M658 WeakPolarHBondContact O-CB 3.3Å; A655-M658 PolarHBondContact O-N 3.49Å; A655-E659 PolarHBondContact O-N 3.48Å
656E90.8Very high90.3Very high94 Ų9494.5 Ų94.544%0.43951%0.509SS..Hα-helixtrans-57.8-44174.2-69.4-175.3147.500111.5H652 M658 E659 L660H652-E656 PolarHBondContact O-N 3.35Å; E656-M658 PolarHBondContact O-N 3.1Å; E656-E659 PolarHBondContact O-N 3.3Å; E656-L660 WeakPolarHBondContact O-CB 3.28Å; E656-L660 WeakPolarHBondContact O-CG 3.38Å; E656-L660 PolarHBondContact O-N 2.95Å
657L89.3Confident89.7Confident89 Ų8993.7 Ų93.747%0.46651%0.507SS..Hα-helixtrans-64.7-24.9175-80.1169.9000113.7M653 A655 K661M653-L657 WeakPolarHBondContact O-CB 3.49Å; M653-L657 WeakPolarHBondContact O-CG 3.44Å; M653-L657 PolarHBondContact O-N 2.71Å; A655-L657 VanDerWaalsContact C-N 3.33Å; A655-L657 PolarHBondContact O-N 2.86Å; L657-K661 WeakPolarHBondContact O-CB 3.46Å; L657-K661 WeakPolarHBondContact O-CD 3.23Å; L657-K661 WeakPolarHBondContact O-CG 3.36Å; L657-K661 PolarHBondContact O-N 3.24Å
658M89.6Confident89.5Confident122 Ų12292 Ų9260%0.60150%0.502SS*.Hα-helixtrans-78.4-40.4172.9-71.1-77.1-85.700111T654 A655 E656 K661 T662T654-M658 WeakPolarHBondContact O-CG 3.42Å; T654-M658 PolarHBondContact O-N 3.48Å; T654-M658 VanDerWaalsContact O-N 3.09Å; A655-M658 WeakPolarHBondContact O-CA 3.46Å; A655-M658 WeakPolarHBondContact O-CB 3.3Å; A655-M658 PolarHBondContact O-N 3.49Å; E656-M658 PolarHBondContact O-N 3.1Å; M658-K661 WeakPolarHBondContact O-CB 3.34Å; M658-K661 PolarHBondContact O-N 3.12Å; M658-T662 WeakPolarHBondContact O-CG2 3.16Å; M658-T662 PolarHBondContact O-N 2.87Å; M658-T662 PolarHBondContact O-OG1 3.34Å
659E90.3Very high89.3Confident141 Ų14191.9 Ų91.966%0.65950%0.501SS*.Hα-helixtrans-66.5-38.5174.6-172.2169.8-16600112.6A655 E656 K661 T662 S663A655-E659 PolarHBondContact O-N 3.48Å; E656-E659 PolarHBondContact O-N 3.3Å; E659-K661 VanDerWaalsContact C-N 3.3Å; E659-K661 PolarHBondContact O-N 3.5Å; E659-T662 WeakPolarHBondContact CA-OG1 3.46Å; E659-T662 PolarHBondContact O-N 2.9Å; E659-T662 PolarHBondContact O-OG1 2.67Å; E659-T662 VanDerWaalsContact O-OG1 3.04Å; E659-S663 WeakPolarHBondContact O-CB 3.42Å; E659-S663 PolarHBondContact O-N 2.92Å; E659-S663 PolarHBondContact O-OG 2.96Å
660L89.1Confident89.1Confident113 Ų11395.9 Ų95.959%0.59251%0.508SS*.Hα-helixtrans-65.1-33171.5-70.9171.9000112.1E656 S663 L664E656-L660 WeakPolarHBondContact O-CB 3.28Å; E656-L660 WeakPolarHBondContact O-CG 3.38Å; E656-L660 PolarHBondContact O-N 2.95Å; L660-S663 WeakPolarHBondContact CA-OG 3.4Å; L660-S663 PolarHBondContact O-OG 3.35Å; L660-L664 WeakPolarHBondContact O-CB 3.47Å; L660-L664 PolarHBondContact O-N 3.07Å
661K92.3Very high88.9Confident132 Ų13298.7 Ų98.757%0.57451%0.514SS*.Hα-helixtrans-71-42.6172.4-78.9168.6-175.1171.40112.7L657 M658 E659 L664 A665L657-K661 WeakPolarHBondContact O-CB 3.46Å; L657-K661 WeakPolarHBondContact O-CD 3.23Å; L657-K661 WeakPolarHBondContact O-CG 3.36Å; L657-K661 PolarHBondContact O-N 3.24Å; M658-K661 WeakPolarHBondContact O-CB 3.34Å; M658-K661 PolarHBondContact O-N 3.12Å; E659-K661 VanDerWaalsContact C-N 3.3Å; E659-K661 PolarHBondContact O-N 3.5Å; K661-L664 PolarHBondContact O-N 3.11Å; K661-A665 WeakPolarHBondContact O-CB 3.46Å; K661-A665 PolarHBondContact O-N 3.22Å
662T89.9Confident88.8Confident79 Ų79102.2 Ų102.249%0.48553%0.525SS..Hα-helixtrans-69.1-41.7179.756.70000111.4M658 E659 A665 Q666M658-T662 WeakPolarHBondContact O-CG2 3.16Å; M658-T662 PolarHBondContact O-N 2.87Å; M658-T662 PolarHBondContact O-OG1 3.34Å; E659-T662 WeakPolarHBondContact CA-OG1 3.46Å; E659-T662 PolarHBondContact O-N 2.9Å; E659-T662 PolarHBondContact O-OG1 2.67Å; E659-T662 VanDerWaalsContact O-OG1 3.04Å; T662-A665 PolarHBondContact O-N 2.77Å; T662-Q666 WeakPolarHBondContact O-CG 3.47Å; T662-Q666 PolarHBondContact O-N 2.81Å
663S87.5Confident88.6Confident55 Ų55102.7 Ų102.739%0.38553%0.526SS..Hα-helixtrans-64.9-39.1174.256.10000112.7E659 L660 Q666 S667E659-S663 WeakPolarHBondContact O-CB 3.42Å; E659-S663 PolarHBondContact O-N 2.92Å; E659-S663 PolarHBondContact O-OG 2.96Å; L660-S663 WeakPolarHBondContact CA-OG 3.4Å; L660-S663 PolarHBondContact O-OG 3.35Å; S663-Q666 PolarHBondContact O-N 3.39Å; S663-S667 WeakPolarHBondContact O-CB 3.39Å; S663-S667 PolarHBondContact O-N 2.94Å
664L89.1Confident88.2Confident98 Ų98100.4 Ų100.451%0.51352%0.521SS..Hα-helixtrans-61.2-45.6170.6178.361.8000112L660 K661 S667 Q668L660-L664 WeakPolarHBondContact O-CB 3.47Å; L660-L664 PolarHBondContact O-N 3.07Å; K661-L664 PolarHBondContact O-N 3.11Å; L664-S667 WeakPolarHBondContact O-CB 3.27Å; L664-S667 PolarHBondContact O-N 3.17Å; L664-Q668 HydrophobicContact CD1-CG 4.48Å; L664-Q668 WeakPolarHBondContact O-CG 3.43Å; L664-Q668 PolarHBondContact O-N 3.49Å
665A89.3Confident87.9Confident55 Ų5598 Ų9846%0.45551%0.512SS..Hα-helixtrans-63.5-41177.700000112.2K661 T662 S667 Q668 Q669K661-A665 WeakPolarHBondContact O-CB 3.46Å; K661-A665 PolarHBondContact O-N 3.22Å; T662-A665 PolarHBondContact O-N 2.77Å; A665-S667 VanDerWaalsContact C-N 3.33Å; A665-S667 PolarHBondContact O-N 2.73Å; A665-Q668 PolarHBondContact O-N 3.06Å; A665-Q669 WeakPolarHBondContact O-CB 3.5Å; A665-Q669 PolarHBondContact O-N 3.43Å
666Q87.2Confident87.8Confident107 Ų10797.4 Ų97.450%0.551%0.507SS..Hα-helixtrans-62.8-38.9172.3-72.3177.922.300112T662 S663 Q669 K670T662-Q666 WeakPolarHBondContact O-CG 3.47Å; T662-Q666 PolarHBondContact O-N 2.81Å; S663-Q666 PolarHBondContact O-N 3.39Å; Q666-Q669 PolarHBondContact O-N 2.9Å; Q666-K670 WeakPolarHBondContact O-CG 3.46Å; Q666-K670 PolarHBondContact O-N 2.88Å
667S80Confident87.5Confident70 Ų7097.4 Ų97.449%0.4951%0.509SS..Hα-helixtrans-63.2-49.1175.7-164.40000111.3S663 L664 A665 Q669 K670 E671S663-S667 WeakPolarHBondContact O-CB 3.39Å; S663-S667 PolarHBondContact O-N 2.94Å; L664-S667 WeakPolarHBondContact O-CB 3.27Å; L664-S667 PolarHBondContact O-N 3.17Å; A665-S667 VanDerWaalsContact C-N 3.33Å; A665-S667 PolarHBondContact O-N 2.73Å; S667-Q669 VanDerWaalsContact C-N 3.27Å; S667-Q669 PolarHBondContact O-N 2.93Å; S667-K670 WeakPolarHBondContact O-CB 3.48Å; S667-K670 PolarHBondContact O-N 3.28Å; S667-K670 VanDerWaalsContact O-N 3.08Å; S667-E671 PolarHBondContact O-N 3.45Å
668Q88Confident87.4Confident89 Ų8997.3 Ų97.342%0.41651%0.512SS..Hα-helixtrans-61.3-32.3174.3-69.7178.52.400112.9L664 A665 K672L664-Q668 HydrophobicContact CD1-CG 4.48Å; L664-Q668 WeakPolarHBondContact O-CG 3.43Å; L664-Q668 PolarHBondContact O-N 3.49Å; A665-Q668 PolarHBondContact O-N 3.06Å; Q668-K672 WeakPolarHBondContact O-CB 3.43Å; Q668-K672 VanDerWaalsContact O-CG 3.27Å; Q668-K672 WeakPolarHBondContact O-CG 3.47Å; Q668-K672 PolarHBondContact O-N 3.24Å
669Q88.3Confident87.2Confident111 Ų11198.3 Ų98.352%0.51952%0.515SS..Hα-helixtrans-71.9-37.1174.4-160.2-169.532.200111.7A665 Q666 S667 K672 K673A665-Q669 WeakPolarHBondContact O-CB 3.5Å; A665-Q669 PolarHBondContact O-N 3.43Å; Q666-Q669 PolarHBondContact O-N 2.9Å; S667-Q669 VanDerWaalsContact C-N 3.27Å; S667-Q669 PolarHBondContact O-N 2.93Å; Q669-K672 PolarHBondContact O-N 3.04Å; Q669-K673 WeakPolarHBondContact O-CB 3.28Å; Q669-K673 VanDerWaalsContact O-CG 3.32Å; Q669-K673 WeakPolarHBondContact O-CG 3.2Å; Q669-K673 PolarHBondContact O-N 3.44Å
670K85.6Confident87.1Confident141 Ų14197.5 Ų97.561%0.61351%0.511SS*.Hα-helixtrans-65.6-41.3172.1-72.1169.3-176.21740111.3Q666 S667 K673 S674Q666-K670 WeakPolarHBondContact O-CG 3.46Å; Q666-K670 PolarHBondContact O-N 2.88Å; S667-K670 WeakPolarHBondContact O-CB 3.48Å; S667-K670 PolarHBondContact O-N 3.28Å; S667-K670 VanDerWaalsContact O-N 3.08Å; K670-K673 PolarHBondContact O-N 3.36Å; K670-S674 PolarHBondContact O-N 2.92Å; K670-S674 PolarHBondContact O-OG 2.92Å
671E85.9Confident86.8Confident133 Ų13396.1 Ų96.162%0.62150%0.504SS*.Hα-helixtrans-62.6-42.8174.3-174.7-178.4-162.800112.3S667 K673 S674 G675S667-E671 PolarHBondContact O-N 3.45Å; E671-K673 VanDerWaalsContact C-N 3.34Å; E671-K673 PolarHBondContact O-N 2.84Å; E671-S674 PolarHBondContact O-N 3.31Å; E671-S674 PolarHBondContact O-OG 3.2Å; E671-S674 VanDerWaalsContact O-OG 3.08Å; E671-G675 PolarHBondContact O-N 3.49Å
672K89.1Confident86.5Confident150 Ų15092.9 Ų92.965%0.65250%0.495SS*.Hα-helixtrans-62.9-39.6173-74.5168.1-177.2174.40112.2Q668 Q669 G675 A676Q668-K672 WeakPolarHBondContact O-CB 3.43Å; Q668-K672 VanDerWaalsContact O-CG 3.27Å; Q668-K672 WeakPolarHBondContact O-CG 3.47Å; Q668-K672 PolarHBondContact O-N 3.24Å; Q669-K672 PolarHBondContact O-N 3.04Å; K672-G675 PolarHBondContact O-N 2.66Å; K672-A676 PolarHBondContact O-N 3.19Å
673K86.6Confident86.3Confident133 Ų13391.7 Ų91.758%0.57849%0.494SS*.Hα-helixtrans-68.2-42.4176.7-75.1174.1176.9-179.30112.5Q669 K670 E671 A676 L677Q669-K673 WeakPolarHBondContact O-CB 3.28Å; Q669-K673 VanDerWaalsContact O-CG 3.32Å; Q669-K673 WeakPolarHBondContact O-CG 3.2Å; Q669-K673 PolarHBondContact O-N 3.44Å; K670-K673 PolarHBondContact O-N 3.36Å; E671-K673 VanDerWaalsContact C-N 3.34Å; E671-K673 PolarHBondContact O-N 2.84Å; K673-A676 PolarHBondContact O-N 2.76Å; K673-L677 PolarHBondContact O-N 3.36Å
674S82.1Confident86.1Confident64 Ų6494 Ų9445%0.44850%0.5SS..Hα-helixtrans-69.4-35.4174.462.30000111.9K670 E671 L677 V678K670-S674 PolarHBondContact O-N 2.92Å; K670-S674 PolarHBondContact O-OG 2.92Å; E671-S674 PolarHBondContact O-N 3.31Å; E671-S674 PolarHBondContact O-OG 3.2Å; E671-S674 VanDerWaalsContact O-OG 3.08Å; S674-L677 PolarHBondContact O-N 2.93Å; S674-V678 WeakPolarHBondContact O-CB 3.41Å; S674-V678 VanDerWaalsContact O-CG2 3.27Å; S674-V678 WeakPolarHBondContact O-CG2 3.36Å; S674-V678 PolarHBondContact O-N 3.03Å
675G86.9Confident86Confident28 Ų2894.1 Ų94.129%0.28950%0.504SS..Hα-helixtrans-60.1-43.7171.400000113E671 K672 V678 Q679E671-G675 PolarHBondContact O-N 3.49Å; K672-G675 PolarHBondContact O-N 2.66Å; G675-V678 PolarHBondContact O-N 3.32Å; G675-Q679 VanDerWaalsContact O-CG 3.31Å; G675-Q679 WeakPolarHBondContact O-CG 3.41Å; G675-Q679 PolarHBondContact O-N 2.89Å
676A86.4Confident85.9Confident42 Ų4298.1 Ų98.135%0.34751%0.511SS..Hα-helixtrans-62.6-49.2173.200000111.8K672 K673 V678 Q679 E680K672-A676 PolarHBondContact O-N 3.19Å; K673-A676 PolarHBondContact O-N 2.76Å; A676-V678 VanDerWaalsContact C-N 3.29Å; A676-V678 PolarHBondContact O-N 2.84Å; A676-Q679 CarbonylContact O-C 3.52Å; A676-Q679 WeakPolarHBondContact O-CA 3.32Å; A676-Q679 WeakPolarHBondContact O-CB 3.37Å; A676-Q679 PolarHBondContact O-N 3.37Å; A676-E680 PolarHBondContact O-N 2.97Å
677L86.3Confident85.9Confident93 Ų9397.4 Ų97.449%0.48751%0.508SS..Hα-helixtrans-59.3-38.3177-176.166.3000112.4K673 S674 Q679 E680 L681K673-L677 PolarHBondContact O-N 3.36Å; S674-L677 PolarHBondContact O-N 2.93Å; L677-Q679 VanDerWaalsContact C-N 3.35Å; L677-E680 PolarHBondContact O-N 3.43Å; L677-L681 HydrophobicContact CD1-CD1 4.5Å; L677-L681 HydrophobicContact CG-CD1 4.08Å; L677-L681 WeakPolarHBondContact O-CB 3.33Å; L677-L681 VanDerWaalsContact O-CG 3.24Å; L677-L681 WeakPolarHBondContact O-CG 3.49Å; L677-L681 PolarHBondContact O-N 2.88Å
678V85.8Confident86.1Confident88 Ų8898.3 Ų98.353%0.53351%0.505SS..Hα-helixtrans-67.6-34.3174.4167.30000111.6S674 G675 A676 T682S674-V678 WeakPolarHBondContact O-CB 3.41Å; S674-V678 VanDerWaalsContact O-CG2 3.27Å; S674-V678 WeakPolarHBondContact O-CG2 3.36Å; S674-V678 PolarHBondContact O-N 3.03Å; G675-V678 PolarHBondContact O-N 3.32Å; A676-V678 VanDerWaalsContact C-N 3.29Å; A676-V678 PolarHBondContact O-N 2.84Å; V678-T682 WeakPolarHBondContact O-CB 3.41Å; V678-T682 PolarHBondContact O-N 3.41Å; V678-T682 PolarHBondContact O-OG1 3.3Å
679Q85.9Confident86Confident143 Ų143101.2 Ų101.267%0.66852%0.516SS*.Hα-helixtrans-68.8-43.2173.1-71.6172.124.900111.8G675 A676 L677 T682 A683G675-Q679 VanDerWaalsContact O-CG 3.31Å; G675-Q679 WeakPolarHBondContact O-CG 3.41Å; G675-Q679 PolarHBondContact O-N 2.89Å; A676-Q679 CarbonylContact O-C 3.52Å; A676-Q679 WeakPolarHBondContact O-CA 3.32Å; A676-Q679 WeakPolarHBondContact O-CB 3.37Å; A676-Q679 PolarHBondContact O-N 3.37Å; L677-Q679 VanDerWaalsContact C-N 3.35Å; Q679-T682 CarbonylContact O-C 3.35Å; Q679-T682 PolarHBondContact O-N 3.17Å; Q679-A683 WeakPolarHBondContact O-CB 3.17Å; Q679-A683 PolarHBondContact O-N 3.27Å
680E88Confident86Confident123 Ų12399.4 Ų99.458%0.57551%0.513SS*.Hα-helixtrans-61.6-49.3174.5-71.9170.6-175.100111.7A676 L677 T682 A683 M684A676-E680 PolarHBondContact O-N 2.97Å; L677-E680 PolarHBondContact O-N 3.43Å; E680-T682 VanDerWaalsContact C-N 3.28Å; E680-T682 PolarHBondContact O-N 3.44Å; E680-A683 WeakPolarHBondContact O-CB 3.35Å; E680-A683 PolarHBondContact O-N 2.87Å; E680-A683 VanDerWaalsContact O-N 3.1Å; E680-M684 WeakPolarHBondContact O-CB 3.38Å; E680-M684 PolarHBondContact O-N 3.24Å
681L82.9Confident86.1Confident85 Ų8599.1 Ų99.145%0.44551%0.507SS..Hα-helixtrans-60.7-37.4174.1-71.4169.9000111.7L677 V685L677-L681 HydrophobicContact CD1-CD1 4.5Å; L677-L681 HydrophobicContact CG-CD1 4.08Å; L677-L681 WeakPolarHBondContact O-CB 3.33Å; L677-L681 VanDerWaalsContact O-CG 3.24Å; L677-L681 WeakPolarHBondContact O-CG 3.49Å; L677-L681 PolarHBondContact O-N 2.88Å; L681-V685 WeakPolarHBondContact O-CB 3.33Å; L681-V685 VanDerWaalsContact O-CG2 3.23Å; L681-V685 WeakPolarHBondContact O-CG2 3.4Å; L681-V685 PolarHBondContact O-N 2.96Å
682T86.3Confident86Confident63 Ų6397.2 Ų97.239%0.38750%0.501SS..Hα-helixtrans-68-35174.7-62.70000112.2V678 Q679 E680 K686V678-T682 WeakPolarHBondContact O-CB 3.41Å; V678-T682 PolarHBondContact O-N 3.41Å; V678-T682 PolarHBondContact O-OG1 3.3Å; Q679-T682 CarbonylContact O-C 3.35Å; Q679-T682 PolarHBondContact O-N 3.17Å; E680-T682 VanDerWaalsContact C-N 3.28Å; E680-T682 PolarHBondContact O-N 3.44Å; T682-K686 HydrophobicContact CG2-CD 4.49Å; T682-K686 VanDerWaalsContact O-CG 3.27Å; T682-K686 WeakPolarHBondContact O-CG 3.31Å; T682-K686 PolarHBondContact O-N 2.69Å; T682-K686 VanDerWaalsContact O-N 3.1Å
683A85.1Confident85.9Confident55 Ų5593.2 Ų93.246%0.45549%0.492SS..Hα-helixtrans-68.8-47.917400000111Q679 E680 V685 K686 E687Q679-A683 WeakPolarHBondContact O-CB 3.17Å; Q679-A683 PolarHBondContact O-N 3.27Å; E680-A683 WeakPolarHBondContact O-CB 3.35Å; E680-A683 PolarHBondContact O-N 2.87Å; E680-A683 VanDerWaalsContact O-N 3.1Å; A683-V685 PolarHBondContact O-N 3.46Å; A683-K686 WeakPolarHBondContact O-CA 3.43Å; A683-K686 WeakPolarHBondContact O-CB 3.43Å; A683-K686 PolarHBondContact O-N 3.18Å; A683-K686 VanDerWaalsContact O-N 3.07Å; A683-E687 PolarHBondContact O-N 2.97Å
684M83.1Confident86Confident104 Ų10492.7 Ų92.751%0.51249%0.491SS..Hα-helixtrans-58.5-43.8175.3-170.8-165.4-61.900111.7E680 K686 E687 Q688E680-M684 WeakPolarHBondContact O-CB 3.38Å; E680-M684 PolarHBondContact O-N 3.24Å; M684-K686 VanDerWaalsContact C-N 3.31Å; M684-K686 PolarHBondContact O-N 3.26Å; M684-E687 PolarHBondContact O-N 2.89Å; M684-Q688 WeakPolarHBondContact O-CB 3.17Å; M684-Q688 VanDerWaalsContact O-CG 3.31Å; M684-Q688 WeakPolarHBondContact O-CG 3.43Å; M684-Q688 PolarHBondContact O-N 2.9Å
685V86.8Confident86.3Confident99 Ų9995.3 Ų95.360%0.650%0.5SS*.Hα-helixtrans-65.6-32.6175.9167.60000112L681 A683 K689L681-V685 WeakPolarHBondContact O-CB 3.33Å; L681-V685 VanDerWaalsContact O-CG2 3.23Å; L681-V685 WeakPolarHBondContact O-CG2 3.4Å; L681-V685 PolarHBondContact O-N 2.96Å; A683-V685 PolarHBondContact O-N 3.46Å; V685-K689 VanDerWaalsContact O-CB 3.23Å; V685-K689 WeakPolarHBondContact O-CB 3.25Å; V685-K689 PolarHBondContact O-N 2.9Å
686K87Confident86.2Confident139 Ų13998.1 Ų98.160%0.60451%0.507SS*.Hα-helixtrans-68.2-44.4171.2-74.9167.9-177.7174.10111.8T682 A683 M684 K689 T690T682-K686 HydrophobicContact CG2-CD 4.49Å; T682-K686 VanDerWaalsContact O-CG 3.27Å; T682-K686 WeakPolarHBondContact O-CG 3.31Å; T682-K686 PolarHBondContact O-N 2.69Å; T682-K686 VanDerWaalsContact O-N 3.1Å; A683-K686 WeakPolarHBondContact O-CA 3.43Å; A683-K686 WeakPolarHBondContact O-CB 3.43Å; A683-K686 PolarHBondContact O-N 3.18Å; A683-K686 VanDerWaalsContact O-N 3.07Å; M684-K686 VanDerWaalsContact C-N 3.31Å; M684-K686 PolarHBondContact O-N 3.26Å; K686-K689 CarbonylContact O-C 3.42Å; K686-K689 WeakPolarHBondContact O-CB 3.38Å; K686-K689 PolarHBondContact O-N 3.15Å; K686-T690 PolarHBondContact O-N 3.25Å; K686-T690 PolarHBondContact O-OG1 2.74Å
687E87.2Confident86.5Confident93 Ų93102.5 Ų102.544%0.43552%0.518SS..Hα-helixtrans-63.7-46.3177.7-168-148132.500111.5A683 M684 K689 T690 R691A683-E687 PolarHBondContact O-N 2.97Å; M684-E687 PolarHBondContact O-N 2.89Å; E687-K689 PolarHBondContact O-N 3.31Å; E687-T690 WeakPolarHBondContact CA-OG1 3.46Å; E687-T690 PolarHBondContact O-N 3.45Å; E687-T690 VanDerWaalsContact O-N 3.16Å; E687-T690 PolarHBondContact O-OG1 2.9Å; E687-R691 VanDerWaalsContact O-CB 3.26Å; E687-R691 WeakPolarHBondContact O-CB 3.45Å; E687-R691 PolarHBondContact O-N 3.4Å; E687-R691 IonicContact OE1-NH1 2.78Å; E687-R691 PolarHBondContact OE1-NH1 2.65Å
688Q84.8Confident86.5Confident89 Ų89100.8 Ų100.842%0.41652%0.518SS..Hα-helixtrans-60.4-36.7174.1-68.2-63-25.100111.1M684 I692M684-Q688 WeakPolarHBondContact O-CB 3.17Å; M684-Q688 VanDerWaalsContact O-CG 3.31Å; M684-Q688 WeakPolarHBondContact O-CG 3.43Å; M684-Q688 PolarHBondContact O-N 2.9Å; Q688-I692 VanDerWaalsContact O-CB 3.27Å; Q688-I692 WeakPolarHBondContact O-CB 3.48Å; Q688-I692 WeakPolarHBondContact O-CD1 3.46Å; Q688-I692 WeakPolarHBondContact O-CG1 3.19Å; Q688-I692 PolarHBondContact O-N 2.85Å
689K87.3Confident86.5Confident150 Ų150104 Ų10465%0.65253%0.525SS*.Hα-helixtrans-68.2-37.9174.8-176.1176.1177.7179.40113.1V685 K686 E687 S693V685-K689 VanDerWaalsContact O-CB 3.23Å; V685-K689 WeakPolarHBondContact O-CB 3.25Å; V685-K689 PolarHBondContact O-N 2.9Å; K686-K689 CarbonylContact O-C 3.42Å; K686-K689 WeakPolarHBondContact O-CB 3.38Å; K686-K689 PolarHBondContact O-N 3.15Å; E687-K689 PolarHBondContact O-N 3.31Å; K689-S693 WeakPolarHBondContact O-CB 3.39Å; K689-S693 PolarHBondContact O-N 3.29Å; K689-S693 VanDerWaalsContact O-N 3.09Å; K689-S693 PolarHBondContact O-OG 2.85Å
690T86.9Confident86.6Confident73 Ų73103.9 Ų103.945%0.44852%0.522SS..Hα-helixtrans-69.1-46173.450.40000110.8K686 E687 I692 S693 E694K686-T690 PolarHBondContact O-N 3.25Å; K686-T690 PolarHBondContact O-OG1 2.74Å; E687-T690 WeakPolarHBondContact CA-OG1 3.46Å; E687-T690 PolarHBondContact O-N 3.45Å; E687-T690 VanDerWaalsContact O-N 3.16Å; E687-T690 PolarHBondContact O-OG1 2.9Å; T690-I692 PolarHBondContact O-N 3.25Å; T690-S693 CarbonylContact O-C 3.59Å; T690-S693 WeakPolarHBondContact O-CA 3.49Å; T690-S693 VanDerWaalsContact O-CB 3.31Å; T690-S693 WeakPolarHBondContact O-CB 3.41Å; T690-S693 PolarHBondContact O-N 2.98Å; T690-E694 WeakPolarHBondContact O-CG 3.46Å; T690-E694 PolarHBondContact O-N 3.08Å
691R87.5Confident86.6Confident134 Ų134102.1 Ų102.151%0.50652%0.516SS..Hα-helixtrans-60-41177.7-160.3171.2-169.8150.6-1.1112.7E687 E694 L695E687-R691 VanDerWaalsContact O-CB 3.26Å; E687-R691 WeakPolarHBondContact O-CB 3.45Å; E687-R691 PolarHBondContact O-N 3.4Å; E687-R691 IonicContact OE1-NH1 2.78Å; E687-R691 PolarHBondContact OE1-NH1 2.65Å; R691-E694 PolarHBondContact O-N 2.93Å; R691-L695 WeakPolarHBondContact O-CB 3.48Å; R691-L695 VanDerWaalsContact O-CG 3.27Å; R691-L695 WeakPolarHBondContact O-CG 3.17Å; R691-L695 PolarHBondContact O-N 3.32Å
692I85.2Confident86.8Confident93 Ų93100.1 Ų100.148%0.47751%0.513SS..Hα-helixtrans-64.2-40.1170.9-72.5165.2000111.1Q688 T690 L695 I696Q688-I692 VanDerWaalsContact O-CB 3.27Å; Q688-I692 WeakPolarHBondContact O-CB 3.48Å; Q688-I692 WeakPolarHBondContact O-CD1 3.46Å; Q688-I692 WeakPolarHBondContact O-CG1 3.19Å; Q688-I692 PolarHBondContact O-N 2.85Å; T690-I692 PolarHBondContact O-N 3.25Å; I692-L695 PolarHBondContact O-N 2.91Å; I692-I696 HydrophobicContact CG2-CD1 3.8Å; I692-I696 HydrophobicContact CG2-CG1 4.5Å; I692-I696 WeakPolarHBondContact O-CB 3.37Å; I692-I696 WeakPolarHBondContact O-CD1 3.38Å; I692-I696 VanDerWaalsContact O-CG1 3.23Å; I692-I696 WeakPolarHBondContact O-CG1 3.2Å; I692-I696 PolarHBondContact O-N 3.43Å
693S87Confident86.9Confident67 Ų67100.5 Ų100.547%0.46951%0.514SS..Hα-helixtrans-66.8-37.6178.1-580000112.2K689 T690 I696 K697K689-S693 WeakPolarHBondContact O-CB 3.39Å; K689-S693 PolarHBondContact O-N 3.29Å; K689-S693 VanDerWaalsContact O-N 3.09Å; K689-S693 PolarHBondContact O-OG 2.85Å; T690-S693 CarbonylContact O-C 3.59Å; T690-S693 WeakPolarHBondContact O-CA 3.49Å; T690-S693 VanDerWaalsContact O-CB 3.31Å; T690-S693 WeakPolarHBondContact O-CB 3.41Å; T690-S693 PolarHBondContact O-N 2.98Å; S693-I696 PolarHBondContact O-N 2.92Å; S693-K697 WeakPolarHBondContact O-CB 3.31Å; S693-K697 PolarHBondContact O-N 3.5Å
694E87.8Confident87.1Confident121 Ų121100 Ų10057%0.56551%0.51SS*.Hα-helixtrans-67.4-44.9173.9-73.1158.9-166.400111.7T690 R691 I696 K697 A698T690-E694 WeakPolarHBondContact O-CG 3.46Å; T690-E694 PolarHBondContact O-N 3.08Å; R691-E694 PolarHBondContact O-N 2.93Å; E694-I696 VanDerWaalsContact C-N 3.32Å; E694-I696 PolarHBondContact O-N 3.02Å; E694-K697 CarbonylContact O-C 3.36Å; E694-K697 WeakPolarHBondContact O-CA 3.32Å; E694-K697 WeakPolarHBondContact O-CB 3.43Å; E694-K697 PolarHBondContact O-N 3.5Å; E694-K697 VanDerWaalsContact O-N 3.09Å; E694-A698 WeakPolarHBondContact O-CB 3.38Å; E694-A698 PolarHBondContact O-N 3.3Å
695L87.6Confident87.3Confident120 Ų120101.8 Ų101.863%0.62852%0.517SS*.Hα-helixtrans-61.8-38.4173.1-72.7169.3000112.1R691 I692 K697 K699R691-L695 WeakPolarHBondContact O-CB 3.48Å; R691-L695 VanDerWaalsContact O-CG 3.27Å; R691-L695 WeakPolarHBondContact O-CG 3.17Å; R691-L695 PolarHBondContact O-N 3.32Å; I692-L695 PolarHBondContact O-N 2.91Å; L695-K697 VanDerWaalsContact C-N 3.34Å; L695-K699 WeakPolarHBondContact O-CB 3.29Å; L695-K699 PolarHBondContact O-N 3.19Å
696I86.6Confident87.3Confident87 Ų87102.6 Ų102.645%0.44652%0.518SS..Hα-helixtrans-65.1-38.1172.6-72.7166.2000111.1I692 S693 E694 K700I692-I696 HydrophobicContact CG2-CD1 3.8Å; I692-I696 HydrophobicContact CG2-CG1 4.5Å; I692-I696 WeakPolarHBondContact O-CB 3.37Å; I692-I696 WeakPolarHBondContact O-CD1 3.38Å; I692-I696 VanDerWaalsContact O-CG1 3.23Å; I692-I696 WeakPolarHBondContact O-CG1 3.2Å; I692-I696 PolarHBondContact O-N 3.43Å; S693-I696 PolarHBondContact O-N 2.92Å; E694-I696 VanDerWaalsContact C-N 3.32Å; E694-I696 PolarHBondContact O-N 3.02Å; I696-K700 HydrophobicContact CG2-CD 4.47Å; I696-K700 WeakPolarHBondContact O-CG 3.2Å; I696-K700 PolarHBondContact O-N 3.32Å; I696-K700 VanDerWaalsContact O-N 3.08Å
697K90.9Very high87.4Confident133 Ų133102.2 Ų102.258%0.57852%0.516SS*.Hα-helixtrans-67.2-54.6175.8-171.7-167.2168.3-1670111.1S693 E694 L695 K699 K700 D701S693-K697 WeakPolarHBondContact O-CB 3.31Å; S693-K697 PolarHBondContact O-N 3.5Å; E694-K697 CarbonylContact O-C 3.36Å; E694-K697 WeakPolarHBondContact O-CA 3.32Å; E694-K697 WeakPolarHBondContact O-CB 3.43Å; E694-K697 PolarHBondContact O-N 3.5Å; E694-K697 VanDerWaalsContact O-N 3.09Å; L695-K697 VanDerWaalsContact C-N 3.34Å; K697-K699 PolarHBondContact O-N 2.88Å; K697-K700 WeakPolarHBondContact O-CA 3.38Å; K697-K700 WeakPolarHBondContact O-CB 3.36Å; K697-K700 PolarHBondContact O-N 3.18Å; K697-D701 WeakPolarHBondContact CE-OD2 3.45Å; K697-D701 VanDerWaalsContact O-CG 3.29Å; K697-D701 PolarHBondContact O-N 3.32Å
698A86.2Confident87.5Confident58 Ų58103.1 Ų103.148%0.47952%0.524SS..Hα-helixtrans-55.2-38.9177.300000112.1E694 D701 A702E694-A698 WeakPolarHBondContact O-CB 3.38Å; E694-A698 PolarHBondContact O-N 3.3Å; A698-D701 PolarHBondContact O-N 2.66Å; A698-A702 WeakPolarHBondContact O-CB 3.38Å; A698-A702 PolarHBondContact O-N 2.85Å
699K86.9Confident87.8Confident155 Ų155105.3 Ų105.367%0.67453%0.529SS*.Hα-helixtrans-66.8-35.5173.6-173.5171.8-177.4173.70113.3L695 K697 V703L695-K699 WeakPolarHBondContact O-CB 3.29Å; L695-K699 PolarHBondContact O-N 3.19Å; K697-K699 PolarHBondContact O-N 2.88Å; K699-V703 WeakPolarHBondContact O-CB 3.45Å; K699-V703 WeakPolarHBondContact O-CG2 3.3Å; K699-V703 PolarHBondContact O-N 3.02Å; K699-V703 VanDerWaalsContact O-N 3.09Å
700K87.3Confident87.7Confident140 Ų140101.7 Ų101.761%0.60952%0.519SS*.Hα-helixtrans-67.9-43.3172.6-75.7172.1180-179.40111.3I696 K697 V703 A704I696-K700 HydrophobicContact CG2-CD 4.47Å; I696-K700 WeakPolarHBondContact O-CG 3.2Å; I696-K700 PolarHBondContact O-N 3.32Å; I696-K700 VanDerWaalsContact O-N 3.08Å; K697-K700 WeakPolarHBondContact O-CA 3.38Å; K697-K700 WeakPolarHBondContact O-CB 3.36Å; K697-K700 PolarHBondContact O-N 3.18Å; K700-V703 PolarHBondContact O-N 3.47Å; K700-A704 PolarHBondContact O-N 3.45Å
701D89.4Confident87.9Confident86 Ų86103.6 Ų103.646%0.4652%0.522SS..Hα-helixtrans-65.9-45.2-178-61.6-17000110.3K697 A698 V703 A704 E705K697-D701 WeakPolarHBondContact CE-OD2 3.45Å; K697-D701 VanDerWaalsContact O-CG 3.29Å; K697-D701 PolarHBondContact O-N 3.32Å; A698-D701 PolarHBondContact O-N 2.66Å; D701-V703 PolarHBondContact O-N 3.45Å; D701-A704 WeakPolarHBondContact O-CB 3.43Å; D701-A704 PolarHBondContact O-N 3.32Å; D701-A704 VanDerWaalsContact O-N 3.11Å; D701-E705 PolarHBondContact O-N 2.95Å
702A86.3Confident88Confident44 Ų44103.1 Ų103.136%0.36452%0.521SS..Hα-helixtrans-63.5-35.2172.400000113.4A698 A704 E705 L706A698-A702 WeakPolarHBondContact O-CB 3.38Å; A698-A702 PolarHBondContact O-N 2.85Å; A702-A704 VanDerWaalsContact C-N 3.34Å; A702-E705 PolarHBondContact O-N 2.98Å; A702-L706 WeakPolarHBondContact O-CB 3.49Å; A702-L706 VanDerWaalsContact O-CG 3.32Å; A702-L706 WeakPolarHBondContact O-CG 3.42Å; A702-L706 PolarHBondContact O-N 3.24Å
703V88.3Confident88.1Confident70 Ų70102.8 Ų102.842%0.42452%0.52SS..Hα-helixtrans-69.2-31.7172.8164.70000111.8K699 K700 D701 K707K699-V703 WeakPolarHBondContact O-CB 3.45Å; K699-V703 WeakPolarHBondContact O-CG2 3.3Å; K699-V703 PolarHBondContact O-N 3.02Å; K699-V703 VanDerWaalsContact O-N 3.09Å; K700-V703 PolarHBondContact O-N 3.47Å; D701-V703 PolarHBondContact O-N 3.45Å; V703-K707 WeakPolarHBondContact O-CB 3.39Å; V703-K707 VanDerWaalsContact O-CG 3.31Å; V703-K707 WeakPolarHBondContact O-CG 3.41Å; V703-K707 PolarHBondContact O-N 2.95Å
704A88.4Confident88.1Confident45 Ų45104.5 Ų104.537%0.37252%0.521SS..Hα-helixtrans-70.1-41.8172.900000111.5K700 D701 A702 K707 N708K700-A704 PolarHBondContact O-N 3.45Å; D701-A704 WeakPolarHBondContact O-CB 3.43Å; D701-A704 PolarHBondContact O-N 3.32Å; D701-A704 VanDerWaalsContact O-N 3.11Å; A702-A704 VanDerWaalsContact C-N 3.34Å; A704-K707 PolarHBondContact O-N 2.89Å; A704-N708 PolarHBondContact O-N 3.47Å; A704-N708 PolarHBondContact O-ND2 3.31Å
705E88.9Confident88.1Confident141 Ų141101.4 Ų101.466%0.65952%0.516SS*.Hα-helixtrans-60.4-48.2173.4-175.3176-163.800111.9D701 A702 K707 N708 R709D701-E705 PolarHBondContact O-N 2.95Å; A702-E705 PolarHBondContact O-N 2.98Å; E705-K707 VanDerWaalsContact C-N 3.32Å; E705-K707 PolarHBondContact O-N 2.88Å; E705-N708 PolarHBondContact O-N 3.1Å; E705-N708 VanDerWaalsContact O-N 3.15Å; E705-R709 PolarHBondContact O-N 3.5Å
706L86.4Confident88.1Confident116 Ų11699.5 Ų99.561%0.60750%0.504SS*.Hα-helixtrans-60.6-39.1175.7-73.3171.1000112.3A702 R709 V710A702-L706 WeakPolarHBondContact O-CB 3.49Å; A702-L706 VanDerWaalsContact O-CG 3.32Å; A702-L706 WeakPolarHBondContact O-CG 3.42Å; A702-L706 PolarHBondContact O-N 3.24Å; L706-R709 PolarHBondContact O-N 2.86Å; L706-V710 WeakPolarHBondContact O-CG2 3.39Å; L706-V710 PolarHBondContact O-N 3.48Å
707K88.2Confident88Confident131 Ų13196.8 Ų96.857%0.5750%0.497SS*.Hα-helixtrans-63.5-44172.7-79.8179.9175.8-1680112.4V703 A704 E705 R709 V710 H711V703-K707 WeakPolarHBondContact O-CB 3.39Å; V703-K707 VanDerWaalsContact O-CG 3.31Å; V703-K707 WeakPolarHBondContact O-CG 3.41Å; V703-K707 PolarHBondContact O-N 2.95Å; A704-K707 PolarHBondContact O-N 2.89Å; E705-K707 VanDerWaalsContact C-N 3.32Å; E705-K707 PolarHBondContact O-N 2.88Å; K707-R709 VanDerWaalsContact C-N 3.29Å; K707-R709 PolarHBondContact O-N 2.88Å; K707-V710 PolarHBondContact O-N 3.42Å; K707-H711 PolarHBondContact O-CD2 3.28Å; K707-H711 PolarHBondContact O-N 3.03Å
708N90.1Very high87.8Confident113 Ų11395.3 Ų95.360%0.60449%0.492SS*.Hα-helixtrans-62.4-38.8176.6-67.2-19.3000111.2A704 E705 H711 Y712A704-N708 PolarHBondContact O-N 3.47Å; A704-N708 PolarHBondContact O-ND2 3.31Å; E705-N708 PolarHBondContact O-N 3.1Å; E705-N708 VanDerWaalsContact O-N 3.15Å; N708-H711 PolarHBondContact O-N 2.9Å; N708-Y712 WeakPolarHBondContact O-CB 3.37Å; N708-Y712 PolarHBondContact O-N 3.04Å
709R90.9Very high87.9Confident135 Ų13598.5 Ų98.551%0.50950%0.497SS..Hα-helixtrans-68.7-37.8175.4-172.356.6175161.92.8112.5E705 L706 K707 Y712 L713E705-R709 PolarHBondContact O-N 3.5Å; L706-R709 PolarHBondContact O-N 2.86Å; K707-R709 VanDerWaalsContact C-N 3.29Å; K707-R709 PolarHBondContact O-N 2.88Å; R709-Y712 VanDerWaalsContact NH1-CE1 3.27Å; R709-Y712 PolarHBondContact O-N 3.3Å; R709-L713 HydrophobicContact CG-CD1 4.21Å; R709-L713 VanDerWaalsContact O-CG 3.28Å; R709-L713 WeakPolarHBondContact O-CG 3.34Å; R709-L713 PolarHBondContact O-N 3.4Å
710V85.8Confident87.5Confident73 Ų7394.8 Ų94.844%0.44249%0.491SS..Hα-helixtrans-61.7-51.1171.6167.10000110.6L706 K707 Y712 L713 E714L706-V710 WeakPolarHBondContact O-CG2 3.39Å; L706-V710 PolarHBondContact O-N 3.48Å; K707-V710 PolarHBondContact O-N 3.42Å; V710-Y712 VanDerWaalsContact C-N 3.27Å; V710-Y712 PolarHBondContact O-N 2.82Å; V710-L713 PolarHBondContact O-N 2.86Å; V710-L713 VanDerWaalsContact O-N 3.07Å; V710-E714 HydrophobicContact CG1-CG 4.19Å; V710-E714 WeakPolarHBondContact CG1-OE1 3.32Å; V710-E714 WeakPolarHBondContact O-CG 3.48Å; V710-E714 PolarHBondContact O-N 3.26Å
711H89.6Confident87.4Confident113 Ų11394.7 Ų94.752%0.52349%0.493SS..Hα-helixtrans-61.1-32.4178-70.6-34.4000113.7K707 N708 E714 A715K707-H711 PolarHBondContact O-CD2 3.28Å; K707-H711 PolarHBondContact O-N 3.03Å; N708-H711 PolarHBondContact O-N 2.9Å; H711-E714 WeakPolarHBondContact CA-OE2 3.11Å; H711-E714 IonicContact CE1-OE2 4Å; H711-E714 IonicContact CG-OE2 2.8Å; H711-E714 IonicContact ND1-OE2 2.85Å; H711-E714 PolarHBondContact ND1-OE2 2.87Å; H711-A715 WeakPolarHBondContact O-CB 3.41Å; H711-A715 PolarHBondContact O-N 3.43Å
712Y90.5Very high87.3Confident125 Ų12598 Ų9849%0.4950%0.498SS..Hα-helixtrans-65.3-47.4171.6-176.3-88000111.9N708 R709 V710 E714 A715 E716N708-Y712 WeakPolarHBondContact O-CB 3.37Å; N708-Y712 PolarHBondContact O-N 3.04Å; R709-Y712 VanDerWaalsContact NH1-CE1 3.27Å; R709-Y712 PolarHBondContact O-N 3.3Å; V710-Y712 VanDerWaalsContact C-N 3.27Å; V710-Y712 PolarHBondContact O-N 2.82Å; Y712-E714 VanDerWaalsContact C-N 3.34Å; Y712-E714 PolarHBondContact O-N 3.48Å; Y712-A715 PolarHBondContact O-N 2.85Å; Y712-E716 HydrophobicContact CD1-CG 4.17Å; Y712-E716 HydrophobicContact CE1-CG 3.83Å; Y712-E716 WeakPolarHBondContact CE1-OE2 3.45Å; Y712-E716 PolarHBondContact O-N 3.3Å
713L86.3Confident87.4Confident85 Ų85100 Ų10045%0.44550%0.503SS..Hα-helixtrans-67.6-33.3178.6-68167.1000112.4R709 V710 G717R709-L713 HydrophobicContact CG-CD1 4.21Å; R709-L713 VanDerWaalsContact O-CG 3.28Å; R709-L713 WeakPolarHBondContact O-CG 3.34Å; R709-L713 PolarHBondContact O-N 3.4Å; V710-L713 PolarHBondContact O-N 2.86Å; V710-L713 VanDerWaalsContact O-N 3.07Å; L713-G717 PolarHBondContact O-N 3.01Å
714E87Confident87.2Confident104 Ų10498.4 Ų98.449%0.48650%0.501SS..Hα-helixtrans-62.3-44.6170.2-72.6170.7159.300110.8V710 H711 Y712 G717 E718V710-E714 HydrophobicContact CG1-CG 4.19Å; V710-E714 WeakPolarHBondContact CG1-OE1 3.32Å; V710-E714 WeakPolarHBondContact O-CG 3.48Å; V710-E714 PolarHBondContact O-N 3.26Å; H711-E714 WeakPolarHBondContact CA-OE2 3.11Å; H711-E714 IonicContact CE1-OE2 4Å; H711-E714 IonicContact CG-OE2 2.8Å; H711-E714 IonicContact ND1-OE2 2.85Å; H711-E714 PolarHBondContact ND1-OE2 2.87Å; Y712-E714 VanDerWaalsContact C-N 3.34Å; Y712-E714 PolarHBondContact O-N 3.48Å; E714-G717 PolarHBondContact O-N 3.5Å; E714-E718 PolarHBondContact O-N 3.47Å
715A88.7Confident87.1Confident56 Ų56101.8 Ų101.846%0.46351%0.512SS..Hα-helixtrans-66.5-40.8176.900000113.2H711 Y712 G717 E718 Q719H711-A715 WeakPolarHBondContact O-CB 3.41Å; H711-A715 PolarHBondContact O-N 3.43Å; Y712-A715 PolarHBondContact O-N 2.85Å; A715-G717 VanDerWaalsContact C-N 3.3Å; A715-G717 PolarHBondContact O-N 2.83Å; A715-E718 PolarHBondContact O-N 2.96Å; A715-Q719 WeakPolarHBondContact O-CB 3.34Å; A715-Q719 PolarHBondContact O-N 3.07Å
716E87.6Confident87Confident80 Ų80100.5 Ų100.537%0.37451%0.506SS..Hα-helixtrans-62.8-37.5171.3-73-170120.500111.8Y712 Q719 S720Y712-E716 HydrophobicContact CD1-CG 4.17Å; Y712-E716 HydrophobicContact CE1-CG 3.83Å; Y712-E716 WeakPolarHBondContact CE1-OE2 3.45Å; Y712-E716 PolarHBondContact O-N 3.3Å; E716-Q719 PolarHBondContact O-N 3.45Å; E716-S720 VanDerWaalsContact O-CB 3.3Å; E716-S720 WeakPolarHBondContact O-CB 3.45Å; E716-S720 PolarHBondContact O-N 3.37Å; E716-S720 PolarHBondContact O-OG 3.27Å
717G83.6Confident86.9Confident30 Ų30100 Ų10031%0.30950%0.503SS..Hα-helixtrans-62.5-49.4173.700000112.4L713 E714 A715 Q719 S720 Q721L713-G717 PolarHBondContact O-N 3.01Å; E714-G717 PolarHBondContact O-N 3.5Å; A715-G717 VanDerWaalsContact C-N 3.3Å; A715-G717 PolarHBondContact O-N 2.83Å; G717-Q719 PolarHBondContact O-N 3.46Å; G717-S720 PolarHBondContact O-N 3.42Å; G717-Q721 WeakPolarHBondContact O-CG 3.37Å; G717-Q721 PolarHBondContact O-N 3.09Å
718E86.8Confident86.8Confident102 Ų10298.4 Ų98.448%0.47750%0.498SS..Hα-helixtrans-59.4-44.8173.3-80.9-162.8-145.100112.2E714 A715 S720 Q721 R722E714-E718 PolarHBondContact O-N 3.47Å; A715-E718 PolarHBondContact O-N 2.96Å; E718-S720 VanDerWaalsContact C-N 3.3Å; E718-S720 PolarHBondContact O-N 3.29Å; E718-Q721 PolarHBondContact O-N 3.18Å; E718-R722 VanDerWaalsContact O-CG 3.24Å; E718-R722 WeakPolarHBondContact O-CG 3.49Å; E718-R722 PolarHBondContact O-N 2.96Å; E718-R722 IonicContact OE2-CZ 2.81Å; E718-R722 IonicContact OE2-NE 3.8Å; E718-R722 IonicContact OE2-NH2 2.7Å; E718-R722 PolarHBondContact OE2-NH2 3.08Å
719Q88.2Confident86.6Confident124 Ų12496.4 Ų96.458%0.57949%0.49SS*.Hα-helixtrans-61.5-41.4177.9-177.3170.9-14.500111.3A715 E716 G717 R722 L723A715-Q719 WeakPolarHBondContact O-CB 3.34Å; A715-Q719 PolarHBondContact O-N 3.07Å; E716-Q719 PolarHBondContact O-N 3.45Å; G717-Q719 PolarHBondContact O-N 3.46Å; Q719-R722 PolarHBondContact O-N 3.2Å; Q719-L723 HydrophobicContact CG-CD1 4.26Å; Q719-L723 WeakPolarHBondContact O-CG 3.44Å; Q719-L723 PolarHBondContact O-N 3.21Å
720S80Confident86.3Confident77 Ų7794.8 Ų94.854%0.53849%0.49SS..Hα-helixtrans-65-39.1176-60.50000112.4E716 G717 E718 L723 G724E716-S720 VanDerWaalsContact O-CB 3.3Å; E716-S720 WeakPolarHBondContact O-CB 3.45Å; E716-S720 PolarHBondContact O-N 3.37Å; E716-S720 PolarHBondContact O-OG 3.27Å; G717-S720 PolarHBondContact O-N 3.42Å; E718-S720 VanDerWaalsContact C-N 3.3Å; E718-S720 PolarHBondContact O-N 3.29Å; S720-L723 PolarHBondContact O-N 3.37Å; S720-G724 PolarHBondContact O-N 3.28Å
721Q84.4Confident86.3Confident139 Ų13998.3 Ų98.365%0.6550%0.5SS*.Hα-helixtrans-64.7-43.6172.9-71.6177.915.500112G717 E718 L723 G724 L725G717-Q721 WeakPolarHBondContact O-CG 3.37Å; G717-Q721 PolarHBondContact O-N 3.09Å; E718-Q721 PolarHBondContact O-N 3.18Å; Q721-L723 PolarHBondContact O-N 3.16Å; Q721-G724 PolarHBondContact O-N 3.45Å; Q721-L725 WeakPolarHBondContact O-CG 3.41Å; Q721-L725 PolarHBondContact O-N 2.98Å
722R87.4Confident86.2Confident154 Ų15498.9 Ų98.958%0.58150%0.501SS*.Hα-helixtrans-61.4-42.5176.6-67.2167.4-165.4-162.56.9111.6E718 Q719 L725 Q726E718-R722 VanDerWaalsContact O-CG 3.24Å; E718-R722 WeakPolarHBondContact O-CG 3.49Å; E718-R722 PolarHBondContact O-N 2.96Å; E718-R722 IonicContact OE2-CZ 2.81Å; E718-R722 IonicContact OE2-NE 3.8Å; E718-R722 IonicContact OE2-NH2 2.7Å; E718-R722 PolarHBondContact OE2-NH2 3.08Å; Q719-R722 PolarHBondContact O-N 3.2Å; R722-L725 PolarHBondContact O-N 2.86Å; R722-Q726 WeakPolarHBondContact O-CG 3.31Å; R722-Q726 PolarHBondContact O-N 3.37Å; R722-Q726 VanDerWaalsContact O-N 3.08Å
723L87.4Confident86Confident88 Ų8898.1 Ų98.146%0.46150%0.502SS..Hα-helixtrans-65.5-38173.9-70.9168.8000112.2Q719 S720 Q721 Q726 L727Q719-L723 HydrophobicContact CG-CD1 4.26Å; Q719-L723 WeakPolarHBondContact O-CG 3.44Å; Q719-L723 PolarHBondContact O-N 3.21Å; S720-L723 PolarHBondContact O-N 3.37Å; Q721-L723 PolarHBondContact O-N 3.16Å; L723-Q726 PolarHBondContact O-N 3.2Å; L723-L727 WeakPolarHBondContact O-CG 3.42Å; L723-L727 PolarHBondContact O-N 2.94Å
724G85.3Confident86Confident36 Ų36101 Ų10137%0.37151%0.511SS..Hα-helixtrans-60.3-44173.500000112.9S720 Q721 L727 E728S720-G724 PolarHBondContact O-N 3.28Å; Q721-G724 PolarHBondContact O-N 3.45Å; G724-L727 PolarHBondContact O-N 3.46Å; G724-E728 PolarHBondContact O-N 3.29Å
725L86.9Confident85.8Confident116 Ų11699.2 Ų99.261%0.60751%0.513SS*.Hα-helixtrans-64.5-39.9175.3-69170000112.3Q721 R722 E728 T729Q721-L725 WeakPolarHBondContact O-CG 3.41Å; Q721-L725 PolarHBondContact O-N 2.98Å; R722-L725 PolarHBondContact O-N 2.86Å; L725-E728 WeakPolarHBondContact O-CB 3.32Å; L725-E728 PolarHBondContact O-N 2.98Å; L725-T729 PolarHBondContact O-N 3.43Å
726Q85.9Confident85.7Confident113 Ų113104.7 Ų104.753%0.52852%0.522SS..Hα-helixtrans-64.6-37.5173.6-72.5176.7-1500112.4R722 L723 E728 T729 L730R722-Q726 WeakPolarHBondContact O-CG 3.31Å; R722-Q726 PolarHBondContact O-N 3.37Å; R722-Q726 VanDerWaalsContact O-N 3.08Å; L723-Q726 PolarHBondContact O-N 3.2Å; Q726-E728 VanDerWaalsContact C-N 3.31Å; Q726-E728 PolarHBondContact O-N 3.19Å; Q726-T729 PolarHBondContact O-N 2.88Å; Q726-T729 PolarHBondContact O-OG1 3.41Å; Q726-L730 WeakPolarHBondContact O-CB 3.39Å; Q726-L730 VanDerWaalsContact O-CG 3.27Å; Q726-L730 WeakPolarHBondContact O-CG 3.45Å; Q726-L730 PolarHBondContact O-N 3.04Å
727L84.9Confident85.6Confident105 Ų105105.7 Ų105.755%0.5553%0.53SS..Hα-helixtrans-67.2-30.3173-76.4170.2000112.5L723 G724 K731L723-L727 WeakPolarHBondContact O-CG 3.42Å; L723-L727 PolarHBondContact O-N 2.94Å; G724-L727 PolarHBondContact O-N 3.46Å; L727-K731 WeakPolarHBondContact O-CB 3.42Å; L727-K731 WeakPolarHBondContact O-CD 3.32Å; L727-K731 WeakPolarHBondContact O-CG 3.44Å; L727-K731 PolarHBondContact O-N 3.44Å
728E84.9Confident85.7Confident99 Ų99107.9 Ų107.946%0.46354%0.537SS..Hα-helixtrans-67.7-45.3170.4-80.7-135158.800113.1G724 L725 Q726 K731 K732G724-E728 PolarHBondContact O-N 3.29Å; L725-E728 WeakPolarHBondContact O-CB 3.32Å; L725-E728 PolarHBondContact O-N 2.98Å; Q726-E728 VanDerWaalsContact C-N 3.31Å; Q726-E728 PolarHBondContact O-N 3.19Å; E728-K731 PolarHBondContact O-N 3.48Å; E728-K732 WeakPolarHBondContact O-CD 3.47Å; E728-K732 WeakPolarHBondContact O-CG 3.3Å; E728-K732 PolarHBondContact O-N 3.01Å; E728-K732 IonicContact OE2-NZ 3.7Å; E728-K732 PolarHBondContact OE2-NZ 2.88Å
729T87Confident85.3Confident71 Ų71106.2 Ų106.244%0.43654%0.536SS..Hα-helixtrans-64-44.5178.854.30000110.7L725 Q726 K731 K732 E733L725-T729 PolarHBondContact O-N 3.43Å; Q726-T729 PolarHBondContact O-N 2.88Å; Q726-T729 PolarHBondContact O-OG1 3.41Å; T729-K731 VanDerWaalsContact C-N 3.32Å; T729-K731 PolarHBondContact O-N 3.44Å; T729-K732 WeakPolarHBondContact O-CB 3.42Å; T729-K732 PolarHBondContact O-N 3.23Å; T729-K732 VanDerWaalsContact O-N 3.11Å; T729-E733 WeakPolarHBondContact O-CG 3.2Å; T729-E733 PolarHBondContact O-N 3.48Å
730L84.4Confident85.1Confident100 Ų100104.7 Ų104.752%0.52453%0.529SS..Hα-helixtrans-62.8-33.8175.4-69.7168.7000112.9Q726 K734Q726-L730 WeakPolarHBondContact O-CB 3.39Å; Q726-L730 VanDerWaalsContact O-CG 3.27Å; Q726-L730 WeakPolarHBondContact O-CG 3.45Å; Q726-L730 PolarHBondContact O-N 3.04Å; L730-K734 VanDerWaalsContact O-CB 3.27Å; L730-K734 WeakPolarHBondContact O-CB 3.29Å; L730-K734 PolarHBondContact O-N 3.25Å
731K86.1Confident85.2Confident147 Ų147105.6 Ų105.664%0.63953%0.527SS*.Hα-helixtrans-65.6-42.9171.4-79.8167.8-176.5174.70112L727 E728 T729 K734 A735L727-K731 WeakPolarHBondContact O-CB 3.42Å; L727-K731 WeakPolarHBondContact O-CD 3.32Å; L727-K731 WeakPolarHBondContact O-CG 3.44Å; L727-K731 PolarHBondContact O-N 3.44Å; E728-K731 PolarHBondContact O-N 3.48Å; T729-K731 VanDerWaalsContact C-N 3.32Å; T729-K731 PolarHBondContact O-N 3.44Å; K731-K734 PolarHBondContact O-N 2.85Å; K731-A735 WeakPolarHBondContact O-CB 3.47Å; K731-A735 PolarHBondContact O-N 2.9Å
732K86.6Confident85Confident126 Ų126102.8 Ų102.855%0.54852%0.52SS..Hα-helixtrans-65.5-41.2177.9-70.9158.6-178.5160.20111.1E728 T729 A735 R736E728-K732 WeakPolarHBondContact O-CD 3.47Å; E728-K732 WeakPolarHBondContact O-CG 3.3Å; E728-K732 PolarHBondContact O-N 3.01Å; E728-K732 IonicContact OE2-NZ 3.7Å; E728-K732 PolarHBondContact OE2-NZ 2.88Å; T729-K732 WeakPolarHBondContact O-CB 3.42Å; T729-K732 PolarHBondContact O-N 3.23Å; T729-K732 VanDerWaalsContact O-N 3.11Å; K732-A735 PolarHBondContact O-N 3.4Å; K732-R736 PolarHBondContact O-N 2.94Å; K732-R736 VanDerWaalsContact O-N 3.08Å
733E85.6Confident84.5Confident108 Ų10898 Ų9851%0.50551%0.514SS..Hα-helixtrans-66-44.7173.6-72.2170.6179.900112.4T729 A735 R736 L737T729-E733 WeakPolarHBondContact O-CG 3.2Å; T729-E733 PolarHBondContact O-N 3.48Å; E733-A735 VanDerWaalsContact C-N 3.34Å; E733-A735 PolarHBondContact O-N 3.38Å; E733-R736 WeakPolarHBondContact O-CB 3.49Å; E733-R736 PolarHBondContact O-N 3.19Å; E733-R736 VanDerWaalsContact O-N 3.17Å; E733-L737 WeakPolarHBondContact O-CG 3.41Å; E733-L737 PolarHBondContact O-N 3.35Å
734K87.3Confident84.3Confident147 Ų14799.4 Ų99.464%0.63952%0.518SS*.Hα-helixtrans-57.8-44.9174.3-177.3179.3179.4179.10111.8L730 K731 R736 L737 V738L730-K734 VanDerWaalsContact O-CB 3.27Å; L730-K734 WeakPolarHBondContact O-CB 3.29Å; L730-K734 PolarHBondContact O-N 3.25Å; K731-K734 PolarHBondContact O-N 2.85Å; K734-R736 VanDerWaalsContact C-N 3.33Å; K734-R736 PolarHBondContact O-N 2.99Å; K734-L737 PolarHBondContact O-N 3.24Å; K734-V738 WeakPolarHBondContact O-CG2 3.41Å; K734-V738 PolarHBondContact O-N 2.94Å
735A81.9Confident84.2Confident65 Ų65103 Ų10354%0.53753%0.525SS..Hα-helixtrans-61.2-41.9176.800000111.9K731 K732 E733 V738 S739K731-A735 WeakPolarHBondContact O-CB 3.47Å; K731-A735 PolarHBondContact O-N 2.9Å; K732-A735 PolarHBondContact O-N 3.4Å; E733-A735 VanDerWaalsContact C-N 3.34Å; E733-A735 PolarHBondContact O-N 3.38Å; A735-V738 PolarHBondContact O-N 2.98Å; A735-S739 PolarHBondContact O-N 3.06Å
736R87.6Confident83.6Confident171 Ų171101.2 Ų101.265%0.64552%0.522SS*.Hα-helixtrans-61.9-47.6174.7-173.2178.5-177173.72.3112K732 E733 K734 V738 S739 Q740K732-R736 PolarHBondContact O-N 2.94Å; K732-R736 VanDerWaalsContact O-N 3.08Å; E733-R736 WeakPolarHBondContact O-CB 3.49Å; E733-R736 PolarHBondContact O-N 3.19Å; E733-R736 VanDerWaalsContact O-N 3.17Å; K734-R736 VanDerWaalsContact C-N 3.33Å; K734-R736 PolarHBondContact O-N 2.99Å; R736-V738 PolarHBondContact O-N 3.25Å; R736-S739 PolarHBondContact O-N 2.87Å; R736-S739 PolarHBondContact O-OG 2.88Å; R736-Q740 WeakPolarHBondContact O-CG 3.28Å; R736-Q740 PolarHBondContact O-N 2.83Å
737L85.9Confident83.3Confident102 Ų102100 Ų10053%0.53452%0.522SS..Hα-helixtrans-62.9-39.8178.5-71.7169.9000112.4E733 K734 Q740 L741E733-L737 WeakPolarHBondContact O-CG 3.41Å; E733-L737 PolarHBondContact O-N 3.35Å; K734-L737 PolarHBondContact O-N 3.24Å; L737-Q740 PolarHBondContact O-N 3.36Å; L737-L741 PolarHBondContact O-N 3.36Å
738V85.3Confident83Confident76 Ų7698.6 Ų98.646%0.46151%0.514SS..Hα-helixtrans-61.2-45.6172.6170.20000110.8K734 A735 R736 Q740 L741 T742K734-V738 WeakPolarHBondContact O-CG2 3.41Å; K734-V738 PolarHBondContact O-N 2.94Å; A735-V738 PolarHBondContact O-N 2.98Å; R736-V738 PolarHBondContact O-N 3.25Å; V738-Q740 VanDerWaalsContact C-N 3.26Å; V738-Q740 PolarHBondContact O-N 2.91Å; V738-L741 PolarHBondContact O-N 3.26Å; V738-T742 PolarHBondContact O-N 2.67Å; V738-T742 PolarHBondContact O-OG1 2.91Å
739S78.7Confident82.6Confident66 Ų6698.1 Ų98.146%0.46252%0.515SS..Hα-helixtrans-63-31.3177.472.20000113.5A735 R736 T742 A743A735-S739 PolarHBondContact O-N 3.06Å; R736-S739 PolarHBondContact O-N 2.87Å; R736-S739 PolarHBondContact O-OG 2.88Å; S739-T742 WeakPolarHBondContact CA-OG1 3.33Å; S739-T742 PolarHBondContact O-OG1 2.99Å; S739-T742 VanDerWaalsContact O-OG1 3.04Å; S739-A743 WeakPolarHBondContact O-CB 3.24Å; S739-A743 PolarHBondContact O-N 3.01Å
740Q82.9Confident82Confident92 Ų9296.4 Ų96.443%0.4351%0.512SS..Hα-helixtrans-73.8-40174.6-72.2178.4-47.700112.3R736 L737 V738 A743 Q744R736-Q740 WeakPolarHBondContact O-CG 3.28Å; R736-Q740 PolarHBondContact O-N 2.83Å; L737-Q740 PolarHBondContact O-N 3.36Å; V738-Q740 VanDerWaalsContact C-N 3.26Å; V738-Q740 PolarHBondContact O-N 2.91Å; Q740-A743 PolarHBondContact O-N 3.1Å; Q740-Q744 WeakPolarHBondContact O-CG 3.34Å; Q740-Q744 PolarHBondContact O-N 3.32Å
741L82.6Confident81.6Confident97 Ų9796.3 Ų96.351%0.50851%0.511SS..Hα-helixtrans-61.5-49.1173.8-80.8164.9000111.4L737 V738 A743 Q744 E745L737-L741 PolarHBondContact O-N 3.36Å; V738-L741 PolarHBondContact O-N 3.26Å; L741-A743 PolarHBondContact O-N 2.92Å; L741-Q744 CarbonylContact O-C 3.59Å; L741-Q744 WeakPolarHBondContact O-CA 3.42Å; L741-Q744 PolarHBondContact O-N 2.88Å; L741-E745 WeakPolarHBondContact O-CG 3.39Å; L741-E745 PolarHBondContact O-N 2.83Å
742T81.1Confident81.2Confident79 Ų7995.6 Ų95.649%0.48550%0.504SS..Hα-helixtrans-62.4-27177.851.90000113.4V738 S739V738-T742 PolarHBondContact O-N 2.67Å; V738-T742 PolarHBondContact O-OG1 2.91Å; S739-T742 WeakPolarHBondContact CA-OG1 3.33Å; S739-T742 PolarHBondContact O-OG1 2.99Å; S739-T742 VanDerWaalsContact O-OG1 3.04Å
743A76.8Confident80.3Confident55 Ų5591.9 Ų91.946%0.45550%0.497SS..Hα-helixtrans-79.2-27.2173.100000113.1S739 Q740 L741 S746 V747S739-A743 WeakPolarHBondContact O-CB 3.24Å; S739-A743 PolarHBondContact O-N 3.01Å; Q740-A743 PolarHBondContact O-N 3.1Å; L741-A743 PolarHBondContact O-N 2.92Å; A743-S746 PolarHBondContact O-OG 3.16Å; A743-V747 WeakPolarHBondContact O-CG2 3.47Å
744Q82.5Confident79.6Confident117 Ų11791.9 Ų91.955%0.54750%0.497SS..Hα-helixtrans-78.4-35.7172.5-73.9178.2-12.200111.8Q740 L741 S746 V747 I748Q740-Q744 WeakPolarHBondContact O-CG 3.34Å; Q740-Q744 PolarHBondContact O-N 3.32Å; L741-Q744 CarbonylContact O-C 3.59Å; L741-Q744 WeakPolarHBondContact O-CA 3.42Å; L741-Q744 PolarHBondContact O-N 2.88Å; Q744-S746 PolarHBondContact O-N 3.04Å; Q744-V747 PolarHBondContact O-N 3.49Å; Q744-I748 WeakPolarHBondContact O-CB 3.27Å; Q744-I748 VanDerWaalsContact O-CG1 3.27Å; Q744-I748 WeakPolarHBondContact O-CG1 3.34Å; Q744-I748 PolarHBondContact O-N 3.41Å
745E82.4Confident79Confident111 Ų11194.2 Ų94.252%0.51950%0.502SS..Hα-helixtrans-61-42.3177.1-73.3171.5150.500111.9L741 V747 I748 D749L741-E745 WeakPolarHBondContact O-CG 3.39Å; L741-E745 PolarHBondContact O-N 2.83Å; E745-V747 PolarHBondContact O-N 3.3Å; E745-I748 PolarHBondContact O-N 3.41Å; E745-D749 PolarHBondContact O-N 2.88Å
746S76Confident78.4Confident79 Ų7999.5 Ų99.555%0.55251%0.508SS*.Hα-helixtrans-66.8-35.4176.1640000113.3A743 Q744 D749 G750A743-S746 PolarHBondContact O-OG 3.16Å; Q744-S746 PolarHBondContact O-N 3.04Å; S746-D749 PolarHBondContact O-N 3.41Å; S746-G750 PolarHBondContact O-N 3.32Å
747V78.3Confident77.3Confident88 Ų8896.2 Ų96.253%0.53350%0.502SS..Hα-helixtrans-66.7-41.2171.7173.50000111A743 Q744 E745 D749 G750 L751A743-V747 WeakPolarHBondContact O-CG2 3.47Å; Q744-V747 PolarHBondContact O-N 3.49Å; E745-V747 PolarHBondContact O-N 3.3Å; V747-D749 VanDerWaalsContact C-N 3.34Å; V747-D749 PolarHBondContact O-N 2.96Å; V747-G750 PolarHBondContact O-N 3.4Å; V747-L751 HydrophobicContact CG1-CD1 4.08Å; V747-L751 WeakPolarHBondContact O-CG 3.27Å; V747-L751 PolarHBondContact O-N 3.08Å
748I79.4Confident76.1Confident75 Ų7599.3 Ų99.339%0.38551%0.507SS..Hα-helixtrans-62.8-40.4176.2-73.5165.1000111Q744 E745 L751 R752Q744-I748 WeakPolarHBondContact O-CB 3.27Å; Q744-I748 VanDerWaalsContact O-CG1 3.27Å; Q744-I748 WeakPolarHBondContact O-CG1 3.34Å; Q744-I748 PolarHBondContact O-N 3.41Å; E745-I748 PolarHBondContact O-N 3.41Å; I748-L751 PolarHBondContact O-N 2.87Å; I748-R752 HydrophobicContact CG2-CG 4.45Å; I748-R752 WeakPolarHBondContact O-CB 3.46Å; I748-R752 WeakPolarHBondContact O-CD 3.43Å; I748-R752 WeakPolarHBondContact O-CG 3.32Å; I748-R752 PolarHBondContact O-N 3.3Å
749D75.9Confident75.1Confident88 Ų8897.8 Ų97.847%0.47151%0.507SS..Hα-helixtrans-71.5-31.3176.4-80.4-24.7000113.4E745 S746 V747 R752 A753E745-D749 PolarHBondContact O-N 2.88Å; S746-D749 PolarHBondContact O-N 3.41Å; V747-D749 VanDerWaalsContact C-N 3.34Å; V747-D749 PolarHBondContact O-N 2.96Å; D749-R752 PolarHBondContact O-N 3.15Å; D749-R752 WeakPolarHBondContact OD1-CD 3.45Å; D749-R752 IonicContact OD1-CZ 2.6Å; D749-R752 IonicContact OD1-NE 3.8Å; D749-R752 IonicContact OD1-NH1 2.86Å; D749-R752 PolarHBondContact OD1-NH1 3.16Å; D749-A753 PolarHBondContact O-N 3.17Å
750G74.7Confident74.1Confident36 Ų36101.8 Ų101.837%0.37152%0.518SS..Hα-helixtrans-59.4-52.4165.900000112.3S746 V747 R752 A753 E754S746-G750 PolarHBondContact O-N 3.32Å; V747-G750 PolarHBondContact O-N 3.4Å; G750-R752 VanDerWaalsContact C-N 3.26Å; G750-R752 PolarHBondContact O-N 2.91Å; G750-A753 WeakPolarHBondContact O-CA 3.42Å; G750-A753 WeakPolarHBondContact O-CB 3.39Å; G750-A753 PolarHBondContact O-N 3.36Å; G750-E754 PolarHBondContact O-N 2.96Å
751L76.2Confident72.8Confident98 Ų98102 Ų10251%0.51352%0.519SS..Hα-helixtrans-64.2-28177.6-67.1169.7000113V747 I748 R755V747-L751 HydrophobicContact CG1-CD1 4.08Å; V747-L751 WeakPolarHBondContact O-CG 3.27Å; V747-L751 PolarHBondContact O-N 3.08Å; I748-L751 PolarHBondContact O-N 2.87Å; L751-R755 WeakPolarHBondContact O-CB 3.32Å; L751-R755 PolarHBondContact O-N 3.35Å
752R77.9Confident71.6Confident131 Ų131103.1 Ų103.149%0.49453%0.525SS..Hα-helixtrans-72.2-33.8170.7-75.3161.5171.2172.31.6112.2I748 D749 G750 R756I748-R752 HydrophobicContact CG2-CG 4.45Å; I748-R752 WeakPolarHBondContact O-CB 3.46Å; I748-R752 WeakPolarHBondContact O-CD 3.43Å; I748-R752 WeakPolarHBondContact O-CG 3.32Å; I748-R752 PolarHBondContact O-N 3.3Å; D749-R752 PolarHBondContact O-N 3.15Å; D749-R752 WeakPolarHBondContact OD1-CD 3.45Å; D749-R752 IonicContact OD1-CZ 2.6Å; D749-R752 IonicContact OD1-NE 3.8Å; D749-R752 IonicContact OD1-NH1 2.86Å; D749-R752 PolarHBondContact OD1-NH1 3.16Å; G750-R752 VanDerWaalsContact C-N 3.26Å; G750-R752 PolarHBondContact O-N 2.91Å; R752-R756 WeakPolarHBondContact O-CG 3.5Å; R752-R756 PolarHBondContact O-N 3.36Å
753A66.3Low70.3Confident48 Ų48103.5 Ų103.540%0.39754%0.536SS..Hα-helixtrans-66.8-48.2172.900000110.8D749 G750 R755 R756 I757D749-A753 PolarHBondContact O-N 3.17Å; G750-A753 WeakPolarHBondContact O-CA 3.42Å; G750-A753 WeakPolarHBondContact O-CB 3.39Å; G750-A753 PolarHBondContact O-N 3.36Å; A753-R755 PolarHBondContact O-N 3.01Å; A753-R756 WeakPolarHBondContact O-CB 3.45Å; A753-R756 PolarHBondContact O-N 3.36Å; A753-R756 VanDerWaalsContact O-N 3.14Å; A753-I757 PolarHBondContact O-N 2.81Å
754E72Confident68.9Low108 Ų108109 Ų10951%0.50555%0.552SS.*Hα-helixtrans-56.5-47.5173.8-68.8-179.8171.600111.8G750 R756 I757 W758G750-E754 PolarHBondContact O-N 2.96Å; E754-R756 PolarHBondContact O-N 2.62Å; E754-R756 VanDerWaalsContact O-N 3.11Å; E754-I757 WeakPolarHBondContact O-CA 3.41Å; E754-I757 WeakPolarHBondContact O-CB 3.36Å; E754-I757 PolarHBondContact O-N 2.99Å; E754-W758 PolarHBondContact O-N 3.41Å; E754-W758 VanDerWaalsContact O-N 3.09Å
755R74.6Confident67.1Low196 Ų196110.7 Ų110.774%0.7456%0.56SS**Hα-helixtrans-57.1-29.2178.9-172.2179.7-64.2-154.9-0.7113.5L751 A753 G759L751-R755 WeakPolarHBondContact O-CB 3.32Å; L751-R755 PolarHBondContact O-N 3.35Å; A753-R755 PolarHBondContact O-N 3.01Å; R755-G759 PolarHBondContact O-N 3.13Å
756R69.6Low65.6Low177 Ų177109.1 Ų109.167%0.66857%0.573SS**Hα-helixtrans-71.1-33174.9-70.4174-176.8128.8-2.2112.4R752 A753 E754 Q760R752-R756 WeakPolarHBondContact O-CG 3.5Å; R752-R756 PolarHBondContact O-N 3.36Å; A753-R756 WeakPolarHBondContact O-CB 3.45Å; A753-R756 PolarHBondContact O-N 3.36Å; A753-R756 VanDerWaalsContact O-N 3.14Å; E754-R756 PolarHBondContact O-N 2.62Å; E754-R756 VanDerWaalsContact O-N 3.11Å; R756-Q760 WeakPolarHBondContact O-CG 3.43Å; R756-Q760 PolarHBondContact O-N 2.99Å
757I64.3Low64.1Low101 Ų101110.1 Ų110.152%0.51859%0.587SS.*Hα-helixtrans-70.1-56.4176.4-57.8170.4000109.3A753 E754 G759 Q760 E761A753-I757 PolarHBondContact O-N 2.81Å; E754-I757 WeakPolarHBondContact O-CA 3.41Å; E754-I757 WeakPolarHBondContact O-CB 3.36Å; E754-I757 PolarHBondContact O-N 2.99Å; I757-G759 PolarHBondContact O-N 3.32Å; I757-G759 VanDerWaalsContact O-N 3.15Å; I757-Q760 WeakPolarHBondContact O-CB 3.37Å; I757-Q760 PolarHBondContact O-N 2.93Å; I757-E761 PolarHBondContact O-N 2.99Å
758W59.7Low62.6Low168 Ų168110.8 Ų110.864%0.63660%0.595SS**Hα-helixtrans-57-33.3176.9-73.492.6000112.8E754 Q760 E761 L762E754-W758 PolarHBondContact O-N 3.41Å; E754-W758 VanDerWaalsContact O-N 3.09Å; W758-Q760 VanDerWaalsContact C-N 3.32Å; W758-Q760 PolarHBondContact O-N 3.4Å; W758-E761 PolarHBondContact O-N 2.95Å; W758-L762 WeakPolarHBondContact O-CB 3.41Å; W758-L762 PolarHBondContact O-N 2.92Å
759G65.3Low61.2Low44 Ų44115.1 Ų115.145%0.45462%0.618SS.*Hα-helixtrans-67.4-26.2175.400000114.6R755 I757R755-G759 PolarHBondContact O-N 3.13Å; I757-G759 PolarHBondContact O-N 3.32Å; I757-G759 VanDerWaalsContact O-N 3.15Å
760Q57.3Low59.9Low149 Ų149115.9 Ų115.970%0.69664%0.637SS**Hα-helixtrans-79.1-36.5173.4-71.9175.9-25.100111.4R756 I757 W758R756-Q760 WeakPolarHBondContact O-CG 3.43Å; R756-Q760 PolarHBondContact O-N 2.99Å; I757-Q760 WeakPolarHBondContact O-CB 3.37Å; I757-Q760 PolarHBondContact O-N 2.93Å; W758-Q760 VanDerWaalsContact C-N 3.32Å; W758-Q760 PolarHBondContact O-N 3.4Å
761E56Low58.7Low97 Ų97123 Ų12345%0.45366%0.66SS.*Hα-helixtrans-70.6-43.1178.1-63.417613800112.3I757 W758 A763 Q764I757-E761 PolarHBondContact O-N 2.99Å; W758-E761 PolarHBondContact O-N 2.95Å; E761-A763 VanDerWaalsContact C-N 3.3Å; E761-A763 PolarHBondContact O-N 3.5Å; E761-Q764 WeakPolarHBondContact O-CB 3.27Å; E761-Q764 PolarHBondContact O-N 2.87Å
762L56.8Low57.6Low121 Ų121125.6 Ų125.663%0.63468%0.675SS**Hα-helixtrans-64.3-32.9177-105.5148.7000112.9W758 Q764 Q765 G766W758-L762 WeakPolarHBondContact O-CB 3.41Å; W758-L762 PolarHBondContact O-N 2.92Å; L762-Q764 PolarHBondContact O-N 3.47Å; L762-Q765 PolarHBondContact O-N 3.05Å; L762-G766 PolarHBondContact O-N 2.72Å
763A54.9Low56.5Low86 Ų86128.1 Ų128.171%0.71168%0.684SS**THydrogen-bonded Turntrans-64.3-20.117400000113E761E761-A763 VanDerWaalsContact C-N 3.3Å; E761-A763 PolarHBondContact O-N 3.5Å
764Q47.9Very low56Low170 Ų170128.8 Ų128.879%0.79470%0.696SS**THydrogen-bonded Turntrans-91.3-9.7-179.3-159.6168.95.300113.6E761 L762E761-Q764 WeakPolarHBondContact O-CB 3.27Å; E761-Q764 PolarHBondContact O-N 2.87Å; L762-Q764 PolarHBondContact O-N 3.47Å
765Q44.4Very low55.4Low154 Ų154135 Ų13572%0.7272%0.715SS**THydrogen-bonded Turntrans-114.9-11.9-175.8-62.5-171.53.100115L762 A767L762-Q765 PolarHBondContact O-N 3.05Å; Q765-A767 PolarHBondContact O-N 3.05Å
766G50.2Low54.6Low77 Ų77131.5 Ų131.579%0.79471%0.71SS**THydrogen-bonded Turntrans-7223.4-17300000117.7L762L762-G766 PolarHBondContact O-N 2.72Å
767A44.4Very low54.3Low101 Ų101127 Ų12784%0.83570%0.697SS**THydrogen-bonded Turntrans-108.3-0.4-163.900000116.5Q765Q765-A767 PolarHBondContact O-N 3.05Å
768S47.3Very low54.1Low101 Ų101125.5 Ų125.571%0.70670%0.699SS**SBendtrans-131.93.2-163.158.90000117.8
769L49.4Very low54.2Low166 Ų166127.2 Ų127.287%0.86971%0.706SS**  trans-128.986.5-176.9-75.1171.7000112.6
770A48.6Very low54.4Low104 Ų104130 Ų13086%0.8671%0.709SS**  trans-137.726.8-176.700000114.5
771Q49.4Very low55.1Low187 Ų187129.9 Ų129.987%0.87471%0.708SS**SBendtrans-126.61.2-169.6-153.4167.6-8.500117
772D52.8Low56Low152 Ų152129.8 Ų129.881%0.81371%0.714SS**  trans-109.724-177.5-83.1-59.8000115.3
773R55.8Low56.7Low183 Ų183129.2 Ų129.269%0.69171%0.711SS**  trans-74.9-41.8-171.4-175.5170.9168.4155.41.8114.9R775 L776 E777R773-R775 VanDerWaalsContact C-N 3.28Å; R773-R775 PolarHBondContact O-N 2.92Å; R773-L776 PolarHBondContact O-N 3.13Å; R773-E777 IonicContact CZ-OE1 3.24Å; R773-E777 VanDerWaalsContact CZ-OE1 3.24Å; R773-E777 IonicContact NE-OE1 2.74Å; R773-E777 PolarHBondContact NE-OE1 3.4Å; R773-E777 IonicContact NE-OE2 3.95Å; R773-E777 IonicContact NH2-OE1 2.69Å; R773-E777 PolarHBondContact NH2-OE1 2.92Å
774G56.3Low57.7Low63 Ų63129 Ų12965%0.64970%0.702SS**THydrogen-bonded Turntrans-71.3-3.9-161.300000117.8
775R58.5Low59Low238 Ų238123.7 Ų123.790%0.89869%0.687SS**THydrogen-bonded Turntrans-97.6-12178.5-98.2-171.9174.9-162.8-0.5115.1R773R773-R775 VanDerWaalsContact C-N 3.28Å; R773-R775 PolarHBondContact O-N 2.92Å
776L58.7Low60.5Low122 Ų122122 Ų12264%0.63968%0.679SS**THydrogen-bonded Turntrans-90.4-32.4179.7-68.5172.5000112.5R773 A778 R779R773-L776 PolarHBondContact O-N 3.13Å; L776-A778 PolarHBondContact O-N 3.49Å; L776-R779 PolarHBondContact O-N 2.91Å; L776-R779 VanDerWaalsContact O-N 3.13Å
777E61.4Low61.7Low83 Ų83124.4 Ų124.439%0.38867%0.671SS.*Hα-helixtrans-63-42.7-169.9-66.8172.613900112.3R773 R779 I780 E781R773-E777 IonicContact CZ-OE1 3.24Å; R773-E777 VanDerWaalsContact CZ-OE1 3.24Å; R773-E777 IonicContact NE-OE1 2.74Å; R773-E777 PolarHBondContact NE-OE1 3.4Å; R773-E777 IonicContact NE-OE2 3.95Å; R773-E777 IonicContact NH2-OE1 2.69Å; R773-E777 PolarHBondContact NH2-OE1 2.92Å; E777-R779 PolarHBondContact O-N 3.29Å; E777-R779 VanDerWaalsContact O-N 3.15Å; E777-I780 WeakPolarHBondContact O-CB 3.35Å; E777-I780 PolarHBondContact O-N 3.5Å; E777-E781 PolarHBondContact O-N 3.35Å
778A60.2Low63.3Low69 Ų69124.4 Ų124.457%0.5765%0.654SS**Hα-helixtrans-64.9-17.1177.500000115.2L776L776-A778 PolarHBondContact O-N 3.49Å
779R62.2Low64.8Low205 Ų205124.1 Ų124.177%0.77465%0.648SS**Hα-helixtrans-85.7-20.5172.8-101.9-178.2171.5176.6-3112.9L776 E777L776-R779 PolarHBondContact O-N 2.91Å; L776-R779 VanDerWaalsContact O-N 3.13Å; E777-R779 PolarHBondContact O-N 3.29Å; E777-R779 VanDerWaalsContact O-N 3.15Å
780I69.5Low66.2Low103 Ų103122.8 Ų122.853%0.52864%0.637SS.*Hα-helixtrans-78.8-38.9-179.1-65.2169.5000110.2E777 V782 L783 T784E777-I780 WeakPolarHBondContact O-CB 3.35Å; E777-I780 PolarHBondContact O-N 3.5Å; I780-V782 PolarHBondContact O-N 2.96Å; I780-L783 PolarHBondContact O-N 3.01Å; I780-T784 WeakPolarHBondContact O-CB 3.34Å; I780-T784 PolarHBondContact O-N 2.88Å; I780-T784 PolarHBondContact O-OG1 2.84Å
781E73Confident67.7Low145 Ų145126.3 Ų126.368%0.67863%0.628SS**Hα-helixtrans-59.7-45.2-178.2-65.3-176.1126.800113E777 T784 A785E777-E781 PolarHBondContact O-N 3.35Å; E781-T784 WeakPolarHBondContact O-CB 3.29Å; E781-T784 PolarHBondContact O-N 3.27Å; E781-A785 PolarHBondContact O-N 3.25Å; E781-A785 VanDerWaalsContact O-N 3.09Å
782V74.3Confident69.2Low95 Ų95122.2 Ų122.258%0.57661%0.607SS**Hα-helixtrans-62.6-47.8-179.5-178.40000111.6I780 T784 A785 E786I780-V782 PolarHBondContact O-N 2.96Å; V782-T784 VanDerWaalsContact C-N 3.27Å; V782-T784 PolarHBondContact O-N 3.16Å; V782-A785 PolarHBondContact O-N 2.88Å; V782-E786 PolarHBondContact O-N 3.42Å
783L72.4Confident70.7Confident110 Ų110118.8 Ų118.858%0.57659%0.586SS**Hα-helixtrans-66-30.7177.2-69.5171000112.2I780 M787I780-L783 PolarHBondContact O-N 3.01Å; L783-M787 WeakPolarHBondContact O-CB 3.46Å; L783-M787 VanDerWaalsContact O-CG 3.25Å; L783-M787 WeakPolarHBondContact O-CG 3.42Å; L783-M787 PolarHBondContact O-N 2.84Å; L783-M787 VanDerWaalsContact O-N 3.08Å
784T74.4Confident71.8Confident82 Ų82115.3 Ų115.350%0.50358%0.582SS.*Hα-helixtrans-65.7-41.2176.1-57.20000111I780 E781 V782 E788I780-T784 WeakPolarHBondContact O-CB 3.34Å; I780-T784 PolarHBondContact O-N 2.88Å; I780-T784 PolarHBondContact O-OG1 2.84Å; E781-T784 WeakPolarHBondContact O-CB 3.29Å; E781-T784 PolarHBondContact O-N 3.27Å; V782-T784 VanDerWaalsContact C-N 3.27Å; V782-T784 PolarHBondContact O-N 3.16Å; T784-E788 WeakPolarHBondContact O-CB 3.31Å; T784-E788 PolarHBondContact O-N 3.3Å
785A74.8Confident73Confident58 Ų58116.5 Ų116.548%0.47957%0.573SS.*Hα-helixtrans-63.8-45.4177.300000112.5E781 V782 E788 T789E781-A785 PolarHBondContact O-N 3.25Å; E781-A785 VanDerWaalsContact O-N 3.09Å; V782-A785 PolarHBondContact O-N 2.88Å; A785-E788 PolarHBondContact O-N 3.07Å; A785-T789 PolarHBondContact O-N 3.41Å
786E77.8Confident74.2Confident118 Ų118112.4 Ų112.455%0.55156%0.558SS**Hα-helixtrans-62.1-47.2177.1-68-172.4145.600111.6V782 E788 T789 Q790V782-E786 PolarHBondContact O-N 3.42Å; E786-E788 VanDerWaalsContact C-N 3.26Å; E786-E788 PolarHBondContact O-N 3.1Å; E786-T789 PolarHBondContact O-N 3.06Å; E786-T789 VanDerWaalsContact O-N 3.1Å; E786-T789 PolarHBondContact O-OG1 3.49Å; E786-Q790 PolarHBondContact O-N 3.37Å; E786-Q790 VanDerWaalsContact O-N 3.14Å
787M74Confident75.2Confident127 Ų127110.3 Ų110.363%0.62655%0.547SS*.Hα-helixtrans-57.2-37.6175.8-75.5-65.2-63.400112.6L783 Q790 R791L783-M787 WeakPolarHBondContact O-CB 3.46Å; L783-M787 VanDerWaalsContact O-CG 3.25Å; L783-M787 WeakPolarHBondContact O-CG 3.42Å; L783-M787 PolarHBondContact O-N 2.84Å; L783-M787 VanDerWaalsContact O-N 3.08Å; M787-Q790 PolarHBondContact O-N 2.95Å; M787-R791 WeakPolarHBondContact O-CB 3.34Å; M787-R791 PolarHBondContact O-N 3.06Å
788E78.9Confident76.3Confident102 Ų102112 Ų11248%0.47756%0.555SS.*Hα-helixtrans-69.7-33178.3-152.9-167.6-135.300112.7T784 A785 E786 K792T784-E788 WeakPolarHBondContact O-CB 3.31Å; T784-E788 PolarHBondContact O-N 3.3Å; A785-E788 PolarHBondContact O-N 3.07Å; E786-E788 VanDerWaalsContact C-N 3.26Å; E786-E788 PolarHBondContact O-N 3.1Å; E788-K792 HydrophobicContact CG-CD 4.45Å; E788-K792 WeakPolarHBondContact O-CB 3.23Å; E788-K792 WeakPolarHBondContact O-CD 3.47Å; E788-K792 VanDerWaalsContact O-CG 3.3Å; E788-K792 WeakPolarHBondContact O-CG 3.46Å; E788-K792 PolarHBondContact O-N 3.11Å; E788-K792 IonicContact OE1-NZ 3.35Å; E788-K792 IonicContact OE2-NZ 3.36Å; E788-K792 PolarHBondContact OE2-NZ 3.48Å
789T79.1Confident77.5Confident95 Ų95111.9 Ų111.958%0.58354%0.544SS*.Hα-helixtrans-68.8-41.7173.466.70000112.3A785 E786 R791 K792 Q793A785-T789 PolarHBondContact O-N 3.41Å; E786-T789 PolarHBondContact O-N 3.06Å; E786-T789 VanDerWaalsContact O-N 3.1Å; E786-T789 PolarHBondContact O-OG1 3.49Å; T789-R791 VanDerWaalsContact C-N 3.35Å; T789-K792 PolarHBondContact O-N 3.42Å; T789-Q793 PolarHBondContact O-N 3.15Å; T789-Q793 VanDerWaalsContact O-N 3.17Å
790Q77.9Confident78.5Confident138 Ų138104 Ų10465%0.64552%0.523SS*.Hα-helixtrans-64.8-39.3174.8-68.1-164.99.600111.8E786 M787 Q793 N794E786-Q790 PolarHBondContact O-N 3.37Å; E786-Q790 VanDerWaalsContact O-N 3.14Å; M787-Q790 PolarHBondContact O-N 2.95Å; Q790-Q793 PolarHBondContact O-N 3.2Å; Q790-N794 WeakPolarHBondContact O-CB 3.46Å; Q790-N794 PolarHBondContact O-N 2.94Å
791R80.3Confident79.1Confident177 Ų177104.4 Ų104.467%0.66853%0.526SS*.Hα-helixtrans-58.1-52174.5-162.7179.5-163.2179.26.4111.3M787 T789 Q793 N794 D795M787-R791 WeakPolarHBondContact O-CB 3.34Å; M787-R791 PolarHBondContact O-N 3.06Å; T789-R791 VanDerWaalsContact C-N 3.35Å; R791-Q793 PolarHBondContact O-N 3.02Å; R791-Q793 VanDerWaalsContact O-N 3.09Å; R791-N794 PolarHBondContact O-N 3.41Å; R791-D795 PolarHBondContact O-N 3.37Å; R791-D795 VanDerWaalsContact O-OD2 3.1Å
792K81.6Confident79.8Confident101 Ų101104.9 Ų104.944%0.43952%0.521SS..Hα-helixtrans-61-18.4177.2-72.8164.8179.3168.10114.2E788 T789 R796E788-K792 HydrophobicContact CG-CD 4.45Å; E788-K792 WeakPolarHBondContact O-CB 3.23Å; E788-K792 WeakPolarHBondContact O-CD 3.47Å; E788-K792 VanDerWaalsContact O-CG 3.3Å; E788-K792 WeakPolarHBondContact O-CG 3.46Å; E788-K792 PolarHBondContact O-N 3.11Å; E788-K792 IonicContact OE1-NZ 3.35Å; E788-K792 IonicContact OE2-NZ 3.36Å; E788-K792 PolarHBondContact OE2-NZ 3.48Å; T789-K792 PolarHBondContact O-N 3.42Å; K792-R796 WeakPolarHBondContact O-CG 3.31Å; K792-R796 VanDerWaalsContact O-CZ 3.25Å; K792-R796 PolarHBondContact O-NE 2.91Å; K792-R796 PolarHBondContact O-NH1 3.28Å
793Q83.4Confident80.4Confident81 Ų81105.6 Ų105.638%0.37952%0.521SS..Hα-helixtrans-85.6-48.4169.3-179.352.234.400111.8T789 Q790 R791 D795 R796 D797T789-Q793 PolarHBondContact O-N 3.15Å; T789-Q793 VanDerWaalsContact O-N 3.17Å; Q790-Q793 PolarHBondContact O-N 3.2Å; R791-Q793 PolarHBondContact O-N 3.02Å; R791-Q793 VanDerWaalsContact O-N 3.09Å; Q793-D795 PolarHBondContact O-N 3.42Å; Q793-R796 WeakPolarHBondContact O-CB 3.19Å; Q793-R796 PolarHBondContact O-N 2.9Å; Q793-D797 VanDerWaalsContact NE2-CG 3.32Å; Q793-D797 PolarHBondContact NE2-OD1 3.29Å; Q793-D797 PolarHBondContact NE2-OD2 3.42Å; Q793-D797 PolarHBondContact O-N 3.33Å
794N79.1Confident81Confident110 Ų110106.6 Ų106.659%0.58852%0.521SS*.Hα-helixtrans-57.8-36.7178-160.71.8000111.9Q790 R791 R796 D797 H798Q790-N794 WeakPolarHBondContact O-CB 3.46Å; Q790-N794 PolarHBondContact O-N 2.94Å; R791-N794 PolarHBondContact O-N 3.41Å; N794-R796 VanDerWaalsContact C-N 3.33Å; N794-R796 PolarHBondContact O-N 3.22Å; N794-D797 PolarHBondContact O-N 3.46Å; N794-H798 VanDerWaalsContact O-CB 3.3Å; N794-H798 WeakPolarHBondContact O-CB 3.44Å; N794-H798 PolarHBondContact O-N 2.91Å
795D81.8Confident81.4Confident88 Ų88105.1 Ų105.147%0.47152%0.516SS..Hα-helixtrans-61.1-38.2174.1-62.5-33.7000112.3R791 Q793 D799R791-D795 PolarHBondContact O-N 3.37Å; R791-D795 VanDerWaalsContact O-OD2 3.1Å; Q793-D795 PolarHBondContact O-N 3.42Å; D795-D799 PolarHBondContact O-N 3.09Å
796R82.4Confident82.1Confident152 Ų152108.4 Ų108.457%0.57452%0.52SS*.Hα-helixtrans-70.8-40.4176-63.7174.2-168.5122.65.3112K792 Q793 N794 H798 D799 A800K792-R796 WeakPolarHBondContact O-CG 3.31Å; K792-R796 VanDerWaalsContact O-CZ 3.25Å; K792-R796 PolarHBondContact O-NE 2.91Å; K792-R796 PolarHBondContact O-NH1 3.28Å; Q793-R796 WeakPolarHBondContact O-CB 3.19Å; Q793-R796 PolarHBondContact O-N 2.9Å; N794-R796 VanDerWaalsContact C-N 3.33Å; N794-R796 PolarHBondContact O-N 3.22Å; R796-H798 VanDerWaalsContact C-N 3.33Å; R796-D799 PolarHBondContact O-N 3.21Å; R796-A800 WeakPolarHBondContact O-CB 3.4Å; R796-A800 PolarHBondContact O-N 3.01Å
797D80.8Confident82.5Confident78 Ų78106.9 Ų106.942%0.41752%0.515SS..Hα-helixtrans-68.7-35.8177.4-67.2-42.6000110.9Q793 N794 A800 L801Q793-D797 VanDerWaalsContact NE2-CG 3.32Å; Q793-D797 PolarHBondContact NE2-OD1 3.29Å; Q793-D797 PolarHBondContact NE2-OD2 3.42Å; Q793-D797 PolarHBondContact O-N 3.33Å; N794-D797 PolarHBondContact O-N 3.46Å; D797-A800 PolarHBondContact O-N 3.14Å; D797-L801 WeakPolarHBondContact O-CB 3.32Å; D797-L801 VanDerWaalsContact O-CG 3.28Å; D797-L801 WeakPolarHBondContact O-CG 3.39Å; D797-L801 PolarHBondContact O-N 2.94Å
798H84.6Confident83Confident119 Ų119104.6 Ų104.655%0.55151%0.508SS*.Hα-helixtrans-63-40.6170.7-161.489.4000111.9N794 R796 L801 R802N794-H798 VanDerWaalsContact O-CB 3.3Å; N794-H798 WeakPolarHBondContact O-CB 3.44Å; N794-H798 PolarHBondContact O-N 2.91Å; R796-H798 VanDerWaalsContact C-N 3.33Å; H798-L801 PolarHBondContact O-N 2.92Å; H798-R802 VanDerWaalsContact O-CB 3.27Å; H798-R802 WeakPolarHBondContact O-CB 3.3Å; H798-R802 PolarHBondContact O-N 3.37Å
799D84.8Confident83.2Confident65 Ų65104.7 Ų104.735%0.34851%0.512SS..Hα-helixtrans-68.8-38.6174.7-89.92.6000113.4D795 R796 L801 R802 I803D795-D799 PolarHBondContact O-N 3.09Å; R796-D799 PolarHBondContact O-N 3.21Å; D799-L801 VanDerWaalsContact C-N 3.31Å; D799-L801 PolarHBondContact O-N 3.08Å; D799-R802 PolarHBondContact O-N 2.77Å; D799-R802 IonicContact OD1-CZ 3.61Å; D799-R802 IonicContact OD1-NE 2.83Å; D799-R802 PolarHBondContact OD1-NE 3.12Å; D799-R802 IonicContact OD1-NH2 3.4Å; D799-R802 PolarHBondContact OD1-NH2 2.87Å; D799-R802 IonicContact OD2-NH2 2.66Å; D799-R802 PolarHBondContact OD2-NH2 2.98Å; D799-R802 VanDerWaalsContact OD2-NH2 3.09Å; D799-I803 WeakPolarHBondContact O-CG1 3.44Å; D799-I803 PolarHBondContact O-N 3.49Å
800A83.3Confident83.7Confident40 Ų40104 Ų10433%0.33150%0.504SS..Hα-helixtrans-63-37.9171.700000111.9R796 D797 K804R796-A800 WeakPolarHBondContact O-CB 3.4Å; R796-A800 PolarHBondContact O-N 3.01Å; D797-A800 PolarHBondContact O-N 3.14Å; A800-K804 WeakPolarHBondContact O-CB 3.46Å; A800-K804 WeakPolarHBondContact O-CD 3.46Å; A800-K804 VanDerWaalsContact O-CG 3.25Å; A800-K804 WeakPolarHBondContact O-CG 3.25Å; A800-K804 PolarHBondContact O-N 3.48Å; A800-K804 VanDerWaalsContact O-N 3.12Å
801L82.9Confident84.2Confident111 Ų111103 Ų10358%0.58150%0.499SS*.Hα-helixtrans-68.3-41.6172.8-73.3169.2000112D797 H798 D799 I803 K804 A805D797-L801 WeakPolarHBondContact O-CB 3.32Å; D797-L801 VanDerWaalsContact O-CG 3.28Å; D797-L801 WeakPolarHBondContact O-CG 3.39Å; D797-L801 PolarHBondContact O-N 2.94Å; H798-L801 PolarHBondContact O-N 2.92Å; D799-L801 VanDerWaalsContact C-N 3.31Å; D799-L801 PolarHBondContact O-N 3.08Å; L801-I803 VanDerWaalsContact C-N 3.35Å; L801-I803 PolarHBondContact O-N 3.31Å; L801-K804 PolarHBondContact O-N 3.15Å; L801-A805 WeakPolarHBondContact O-CB 3.49Å; L801-A805 PolarHBondContact O-N 3.39Å
802R87.3Confident84.5Confident155 Ų15598.5 Ų98.559%0.58549%0.492SS*.Hα-helixtrans-60.9-40.3177.1-177.316467.6125.3-3.7112.2H798 D799 K806H798-R802 VanDerWaalsContact O-CB 3.27Å; H798-R802 WeakPolarHBondContact O-CB 3.3Å; H798-R802 PolarHBondContact O-N 3.37Å; D799-R802 PolarHBondContact O-N 2.77Å; D799-R802 IonicContact OD1-CZ 3.61Å; D799-R802 IonicContact OD1-NE 2.83Å; D799-R802 PolarHBondContact OD1-NE 3.12Å; D799-R802 IonicContact OD1-NH2 3.4Å; D799-R802 PolarHBondContact OD1-NH2 2.87Å; D799-R802 IonicContact OD2-NH2 2.66Å; D799-R802 PolarHBondContact OD2-NH2 2.98Å; D799-R802 VanDerWaalsContact OD2-NH2 3.09Å; R802-K806 PolarHBondContact O-N 3.18Å
803I85.9Confident84.7Confident110 Ų11097.3 Ų97.356%0.56449%0.488SS*.Hα-helixtrans-68.1-44.9173.7-67.7166.1000111D799 L801 A805 K806 I807D799-I803 WeakPolarHBondContact O-CG1 3.44Å; D799-I803 PolarHBondContact O-N 3.49Å; L801-I803 VanDerWaalsContact C-N 3.35Å; L801-I803 PolarHBondContact O-N 3.31Å; I803-A805 PolarHBondContact O-N 3.39Å; I803-K806 PolarHBondContact O-N 2.91Å; I803-I807 HydrophobicContact CG2-CD1 3.99Å; I803-I807 WeakPolarHBondContact O-CG1 3.42Å; I803-I807 PolarHBondContact O-N 3.48Å
804K86Confident84.9Confident132 Ų13297 Ų9757%0.57449%0.492SS*.Hα-helixtrans-62.3-42.2177.2-74.3168.8-176.2174.50112.5A800 L801 I807 V808A800-K804 WeakPolarHBondContact O-CB 3.46Å; A800-K804 WeakPolarHBondContact O-CD 3.46Å; A800-K804 VanDerWaalsContact O-CG 3.25Å; A800-K804 WeakPolarHBondContact O-CG 3.25Å; A800-K804 PolarHBondContact O-N 3.48Å; A800-K804 VanDerWaalsContact O-N 3.12Å; L801-K804 PolarHBondContact O-N 3.15Å; K804-I807 PolarHBondContact O-N 2.89Å; K804-V808 WeakPolarHBondContact O-CG2 3.25Å; K804-V808 PolarHBondContact O-N 2.83Å
805A83.8Confident85.2Confident50 Ų5096.2 Ų96.241%0.41349%0.486SS..Hα-helixtrans-58.3-49.8175.400000110.9L801 I803 I807 V808 D809L801-A805 WeakPolarHBondContact O-CB 3.49Å; L801-A805 PolarHBondContact O-N 3.39Å; I803-A805 PolarHBondContact O-N 3.39Å; A805-I807 VanDerWaalsContact C-N 3.32Å; A805-I807 PolarHBondContact O-N 2.96Å; A805-V808 CarbonylContact O-C 3.58Å; A805-V808 WeakPolarHBondContact O-CA 3.48Å; A805-V808 WeakPolarHBondContact O-CB 3.4Å; A805-V808 PolarHBondContact O-N 3.35Å; A805-D809 PolarHBondContact O-N 3.4Å
806K89.6Confident85.4Confident127 Ų12797.2 Ų97.255%0.55248%0.484SS*.Hα-helixtrans-59.3-40.1176.7-176.4174.3177.7-176.60112.9R802 I803 V808 D809 D810R802-K806 PolarHBondContact O-N 3.18Å; I803-K806 PolarHBondContact O-N 2.91Å; K806-V808 VanDerWaalsContact C-N 3.28Å; K806-V808 PolarHBondContact O-N 3.25Å; K806-D809 PolarHBondContact O-N 3.43Å; K806-D810 WeakPolarHBondContact CE-OD2 3.41Å; K806-D810 WeakPolarHBondContact O-CB 3.45Å; K806-D810 VanDerWaalsContact O-CG 3.28Å; K806-D810 PolarHBondContact O-N 3.5Å
807I85.9Confident85.7Confident86 Ų8694.9 Ų94.944%0.44148%0.478SS..Hα-helixtrans-62.5-37.8176-68.4165.9000111I803 K804 A805 Q811I803-I807 HydrophobicContact CG2-CD1 3.99Å; I803-I807 WeakPolarHBondContact O-CG1 3.42Å; I803-I807 PolarHBondContact O-N 3.48Å; K804-I807 PolarHBondContact O-N 2.89Å; A805-I807 VanDerWaalsContact C-N 3.32Å; A805-I807 PolarHBondContact O-N 2.96Å; I807-Q811 VanDerWaalsContact O-CB 3.31Å; I807-Q811 WeakPolarHBondContact O-CB 3.46Å; I807-Q811 WeakPolarHBondContact O-CG 3.29Å; I807-Q811 PolarHBondContact O-N 2.89Å
808V83.6Confident86Confident80 Ų8096.4 Ų96.449%0.48549%0.485SS..Hα-helixtrans-68.9-37.6174.4172.30000111.7K804 A805 K806 T812K804-V808 WeakPolarHBondContact O-CG2 3.25Å; K804-V808 PolarHBondContact O-N 2.83Å; A805-V808 CarbonylContact O-C 3.58Å; A805-V808 WeakPolarHBondContact O-CA 3.48Å; A805-V808 WeakPolarHBondContact O-CB 3.4Å; A805-V808 PolarHBondContact O-N 3.35Å; K806-V808 VanDerWaalsContact C-N 3.28Å; K806-V808 PolarHBondContact O-N 3.25Å; V808-T812 VanDerWaalsContact O-CB 3.24Å; V808-T812 WeakPolarHBondContact O-CB 3.31Å; V808-T812 PolarHBondContact O-N 3.19Å; V808-T812 PolarHBondContact O-OG1 2.91Å
809D83.8Confident86.1Confident104 Ų10497.5 Ų97.556%0.55649%0.489SS*.Hα-helixtrans-64.3-49.5174-64.9-35.3000111.3A805 K806 Q811 T812 E813A805-D809 PolarHBondContact O-N 3.4Å; K806-D809 PolarHBondContact O-N 3.43Å; D809-Q811 VanDerWaalsContact C-N 3.31Å; D809-Q811 PolarHBondContact O-N 3.24Å; D809-T812 PolarHBondContact O-N 2.92Å; D809-T812 VanDerWaalsContact O-N 3.09Å; D809-E813 PolarHBondContact O-N 2.86Å
810D88.3Confident86.2Confident81 Ų8198.1 Ų98.143%0.43349%0.489SS..Hα-helixtrans-60.6-39.1177.9-68.9-25.2000111.2K806 T814K806-D810 WeakPolarHBondContact CE-OD2 3.41Å; K806-D810 WeakPolarHBondContact O-CB 3.45Å; K806-D810 VanDerWaalsContact O-CG 3.28Å; K806-D810 PolarHBondContact O-N 3.5Å; D810-T814 WeakPolarHBondContact O-CB 3.24Å; D810-T814 PolarHBondContact O-N 3.45Å; D810-T814 PolarHBondContact O-OG1 3.45Å
811Q89.6Confident86.2Confident115 Ų11597.8 Ų97.854%0.53748%0.484SS..Hα-helixtrans-67.3-41.4172.3-77.1176.3-2.100112.4I807 D809 T814 I815I807-Q811 VanDerWaalsContact O-CB 3.31Å; I807-Q811 WeakPolarHBondContact O-CB 3.46Å; I807-Q811 WeakPolarHBondContact O-CG 3.29Å; I807-Q811 PolarHBondContact O-N 2.89Å; D809-Q811 VanDerWaalsContact C-N 3.31Å; D809-Q811 PolarHBondContact O-N 3.24Å; Q811-T814 WeakPolarHBondContact O-CB 3.1Å; Q811-T814 PolarHBondContact O-N 2.78Å; Q811-I815 WeakPolarHBondContact O-CG1 3.31Å; Q811-I815 PolarHBondContact O-N 2.93Å
812T86.4Confident86.4Confident83 Ų8396.5 Ų96.551%0.50948%0.478SS..Hα-helixtrans-66.4-39.9179.2-61.90000110.9V808 D809 T814 I815 R816V808-T812 VanDerWaalsContact O-CB 3.24Å; V808-T812 WeakPolarHBondContact O-CB 3.31Å; V808-T812 PolarHBondContact O-N 3.19Å; V808-T812 PolarHBondContact O-OG1 2.91Å; D809-T812 PolarHBondContact O-N 2.92Å; D809-T812 VanDerWaalsContact O-N 3.09Å; T812-T814 VanDerWaalsContact C-N 3.34Å; T812-I815 PolarHBondContact O-N 2.91Å; T812-R816 WeakPolarHBondContact O-CB 3.34Å; T812-R816 PolarHBondContact O-N 2.9Å
813E85.1Confident86.4Confident76 Ų7694.8 Ų94.836%0.35548%0.476SS..Hα-helixtrans-68.1-34.5174.6-146.9-147.7166.500112.1D809 R816 K817D809-E813 PolarHBondContact O-N 2.86Å; E813-R816 WeakPolarHBondContact O-CB 3.41Å; E813-R816 PolarHBondContact O-N 3.19Å; E813-R816 IonicContact OE1-CZ 3.79Å; E813-R816 IonicContact OE1-NH2 3.11Å; E813-R816 PolarHBondContact OE1-NH2 3.44Å; E813-K817 VanDerWaalsContact CD-CE 3.45Å; E813-K817 WeakPolarHBondContact O-CG 3.47Å; E813-K817 PolarHBondContact O-N 3.09Å; E813-K817 WeakPolarHBondContact OE1-CE 3.35Å; E813-K817 IonicContact OE1-NZ 2.66Å; E813-K817 PolarHBondContact OE1-NZ 3.19Å; E813-K817 IonicContact OE2-NZ 3.82Å; E813-K817 PolarHBondContact OE2-NZ 2.81Å
814T88.6Confident86.5Confident76 Ų7695.3 Ų95.347%0.46648%0.476SS..Hα-helixtrans-65.3-43.9172.5-58.50000111.4D810 Q811 T812 R816 K817 L818D810-T814 WeakPolarHBondContact O-CB 3.24Å; D810-T814 PolarHBondContact O-N 3.45Å; D810-T814 PolarHBondContact O-OG1 3.45Å; Q811-T814 WeakPolarHBondContact O-CB 3.1Å; Q811-T814 PolarHBondContact O-N 2.78Å; T812-T814 VanDerWaalsContact C-N 3.34Å; T814-R816 VanDerWaalsContact C-N 3.33Å; T814-R816 PolarHBondContact O-N 2.79Å; T814-K817 PolarHBondContact O-N 3.43Å; T814-L818 HydrophobicContact CG2-CD1 4.25Å; T814-L818 WeakPolarHBondContact O-CB 3.48Å; T814-L818 WeakPolarHBondContact O-CG 3.38Å; T814-L818 PolarHBondContact O-N 3.39Å
815I84.7Confident86.3Confident92 Ų9294.9 Ų94.947%0.47247%0.471SS..Hα-helixtrans-64-38.3174.9-69.7164.5000111.1Q811 T812 L818 K819Q811-I815 WeakPolarHBondContact O-CG1 3.31Å; Q811-I815 PolarHBondContact O-N 2.93Å; T812-I815 PolarHBondContact O-N 2.91Å; I815-L818 PolarHBondContact O-N 2.86Å; I815-K819 HydrophobicContact CG2-CD 4.4Å; I815-K819 WeakPolarHBondContact O-CG 3.15Å; I815-K819 PolarHBondContact O-N 3.43Å
816R87.1Confident86.3Confident109 Ų10997.1 Ų97.141%0.41148%0.476SS..Hα-helixtrans-59.6-54.5173.9-179.7-178.869.482.3-1.9111T812 E813 T814 L818 K819 E820T812-R816 WeakPolarHBondContact O-CB 3.34Å; T812-R816 PolarHBondContact O-N 2.9Å; E813-R816 WeakPolarHBondContact O-CB 3.41Å; E813-R816 PolarHBondContact O-N 3.19Å; E813-R816 IonicContact OE1-CZ 3.79Å; E813-R816 IonicContact OE1-NH2 3.11Å; E813-R816 PolarHBondContact OE1-NH2 3.44Å; T814-R816 VanDerWaalsContact C-N 3.33Å; T814-R816 PolarHBondContact O-N 2.79Å; R816-L818 VanDerWaalsContact C-N 3.29Å; R816-L818 PolarHBondContact O-N 2.95Å; R816-K819 WeakPolarHBondContact O-CB 3.26Å; R816-K819 PolarHBondContact O-N 2.9Å; R816-K819 VanDerWaalsContact O-N 3.08Å; R816-E820 WeakPolarHBondContact CD-OE1 3.15Å; R816-E820 HydrophobicContact CG-CG 4.49Å; R816-E820 WeakPolarHBondContact CG-OE1 3.38Å; R816-E820 IonicContact CZ-OE1 2.95Å; R816-E820 IonicContact CZ-OE2 3.09Å; R816-E820 IonicContact NE-OE1 3.63Å; R816-E820 IonicContact NH1-OE1 2.7Å; R816-E820 PolarHBondContact NH1-OE1 2.91Å; R816-E820 IonicContact NH1-OE2 2.83Å; R816-E820 PolarHBondContact NH1-OE2 2.69Å; R816-E820 WeakPolarHBondContact O-CG 3.27Å; R816-E820 PolarHBondContact O-N 3.2Å
817K87.5Confident86.1Confident103 Ų10394 Ų9445%0.44846%0.463SS..Hα-helixtrans-58.4-38177.9-72.1164.8-179.3163.10112.6E813 T814 S821E813-K817 VanDerWaalsContact CD-CE 3.45Å; E813-K817 WeakPolarHBondContact O-CG 3.47Å; E813-K817 PolarHBondContact O-N 3.09Å; E813-K817 WeakPolarHBondContact OE1-CE 3.35Å; E813-K817 IonicContact OE1-NZ 2.66Å; E813-K817 PolarHBondContact OE1-NZ 3.19Å; E813-K817 IonicContact OE2-NZ 3.82Å; E813-K817 PolarHBondContact OE2-NZ 2.81Å; T814-K817 PolarHBondContact O-N 3.43Å; K817-S821 WeakPolarHBondContact O-CB 3.45Å; K817-S821 PolarHBondContact O-N 3.45Å
818L88.4Confident86.1Confident110 Ų11094.5 Ų94.558%0.57647%0.467SS*.Hα-helixtrans-67.1-40.6175.1-74.5171000112.5T814 I815 R816 S821 L822T814-L818 HydrophobicContact CG2-CD1 4.25Å; T814-L818 WeakPolarHBondContact O-CB 3.48Å; T814-L818 WeakPolarHBondContact O-CG 3.38Å; T814-L818 PolarHBondContact O-N 3.39Å; I815-L818 PolarHBondContact O-N 2.86Å; R816-L818 VanDerWaalsContact C-N 3.29Å; R816-L818 PolarHBondContact O-N 2.95Å; L818-S821 PolarHBondContact O-OG 3.09Å; L818-L822 WeakPolarHBondContact O-CB 3.27Å; L818-L822 PolarHBondContact O-N 3.1Å; L818-L822 VanDerWaalsContact O-N 3.1Å
819K86.4Confident85.8Confident143 Ų14394.7 Ų94.762%0.62247%0.465SS*.Hα-helixtrans-65.3-44.4174-76.1178.6177.3-177.70112.3I815 R816 L822 Q823I815-K819 HydrophobicContact CG2-CD 4.4Å; I815-K819 WeakPolarHBondContact O-CG 3.15Å; I815-K819 PolarHBondContact O-N 3.43Å; R816-K819 WeakPolarHBondContact O-CB 3.26Å; R816-K819 PolarHBondContact O-N 2.9Å; R816-K819 VanDerWaalsContact O-N 3.08Å; K819-L822 WeakPolarHBondContact O-CB 3.23Å; K819-L822 PolarHBondContact O-N 3.42Å; K819-L822 VanDerWaalsContact O-N 3.08Å; K819-Q823 PolarHBondContact O-N 3.44Å
820E87.1Confident85.9Confident78 Ų7895.5 Ų95.536%0.36446%0.46SS..Hα-helixtrans-56.4-51.6174.9-72.3161.4175.500109.9R816 L822 Q823 E824R816-E820 WeakPolarHBondContact CD-OE1 3.15Å; R816-E820 HydrophobicContact CG-CG 4.49Å; R816-E820 WeakPolarHBondContact CG-OE1 3.38Å; R816-E820 IonicContact CZ-OE1 2.95Å; R816-E820 IonicContact CZ-OE2 3.09Å; R816-E820 IonicContact NE-OE1 3.63Å; R816-E820 IonicContact NH1-OE1 2.7Å; R816-E820 PolarHBondContact NH1-OE1 2.91Å; R816-E820 IonicContact NH1-OE2 2.83Å; R816-E820 PolarHBondContact NH1-OE2 2.69Å; R816-E820 WeakPolarHBondContact O-CG 3.27Å; R816-E820 PolarHBondContact O-N 3.2Å; E820-L822 PolarHBondContact O-N 3.45Å; E820-L822 VanDerWaalsContact O-N 3.11Å; E820-Q823 PolarHBondContact O-N 3.2Å; E820-E824 WeakPolarHBondContact O-CG 3.43Å; E820-E824 PolarHBondContact O-N 2.69Å
821S82.9Confident85.8Confident32 Ų3297.5 Ų97.522%0.22446%0.462CS..Hα-helixtrans-62.5-21.4176.782.30000114.8K817 L818 R825K817-S821 WeakPolarHBondContact O-CB 3.45Å; K817-S821 PolarHBondContact O-N 3.45Å; L818-S821 PolarHBondContact O-OG 3.09Å; S821-R825 PolarHBondContact O-NE 3.33Å; S821-R825 PolarHBondContact O-NH2 2.89Å; S821-R825 PolarHBondContact OG-NH2 3.48Å
822L85.6Confident85.6Confident85 Ų8596.9 Ų96.945%0.44546%0.462SS..Hα-helixtrans-81.9-46.8176.6-175.970.5000109.8L818 K819 E820 E824 R825 D826L818-L822 WeakPolarHBondContact O-CB 3.27Å; L818-L822 PolarHBondContact O-N 3.1Å; L818-L822 VanDerWaalsContact O-N 3.1Å; K819-L822 WeakPolarHBondContact O-CB 3.23Å; K819-L822 PolarHBondContact O-N 3.42Å; K819-L822 VanDerWaalsContact O-N 3.08Å; E820-L822 PolarHBondContact O-N 3.45Å; E820-L822 VanDerWaalsContact O-N 3.11Å; L822-E824 VanDerWaalsContact C-N 3.33Å; L822-E824 PolarHBondContact O-N 3.12Å; L822-R825 WeakPolarHBondContact O-CB 3.4Å; L822-R825 PolarHBondContact O-N 2.95Å; L822-D826 PolarHBondContact O-N 3.42Å
823Q88.8Confident85.5Confident118 Ų11899.7 Ų99.755%0.55147%0.467SS*.Hα-helixtrans-58.6-44.4175-175.7-177.8-34.400111.3K819 E820 R825 D826 E827K819-Q823 PolarHBondContact O-N 3.44Å; E820-Q823 PolarHBondContact O-N 3.2Å; Q823-R825 VanDerWaalsContact C-N 3.25Å; Q823-R825 PolarHBondContact O-N 2.96Å; Q823-D826 PolarHBondContact O-N 3.36Å; Q823-D826 VanDerWaalsContact O-N 3.16Å; Q823-E827 HydrophobicContact CG-CG 4.43Å; Q823-E827 WeakPolarHBondContact CG-OE1 3.3Å; Q823-E827 PolarHBondContact NE2-OE1 3.02Å; Q823-E827 WeakPolarHBondContact O-CB 3.39Å; Q823-E827 WeakPolarHBondContact O-CG 3.41Å; Q823-E827 PolarHBondContact O-N 3.42Å
824E87.9Confident85.6Confident122 Ų122100.4 Ų100.457%0.5747%0.47SS*.Hα-helixtrans-53.5-41.8172.8-73170.3174.400112.3E820 L822 L828E820-E824 WeakPolarHBondContact O-CG 3.43Å; E820-E824 PolarHBondContact O-N 2.69Å; L822-E824 VanDerWaalsContact C-N 3.33Å; L822-E824 PolarHBondContact O-N 3.12Å; E824-L828 WeakPolarHBondContact O-CB 3.49Å; E824-L828 VanDerWaalsContact O-CG 3.24Å; E824-L828 WeakPolarHBondContact O-CG 3.39Å; E824-L828 PolarHBondContact O-N 2.94Å
825R80.6Confident85.6Confident123 Ų123102 Ų10246%0.46447%0.472SS..Hα-helixtrans-73.3-36.3178.1-83175.4-76.7135-3.7113S821 L822 Q823 N829S821-R825 PolarHBondContact O-NE 3.33Å; S821-R825 PolarHBondContact O-NH2 2.89Å; S821-R825 PolarHBondContact OG-NH2 3.48Å; L822-R825 WeakPolarHBondContact O-CB 3.4Å; L822-R825 PolarHBondContact O-N 2.95Å; Q823-R825 VanDerWaalsContact C-N 3.25Å; Q823-R825 PolarHBondContact O-N 2.96Å; R825-N829 WeakPolarHBondContact O-CB 3.39Å; R825-N829 PolarHBondContact O-N 2.93Å; R825-N829 PolarHBondContact O-ND2 3.49Å
826D84.4Confident85.5Confident97 Ų97100.1 Ų100.152%0.51947%0.47SS..Hα-helixtrans-71.1-36.8175.9-71.7-27.3000111.2L822 Q823 N829 R830L822-D826 PolarHBondContact O-N 3.42Å; Q823-D826 PolarHBondContact O-N 3.36Å; Q823-D826 VanDerWaalsContact O-N 3.16Å; D826-N829 PolarHBondContact O-N 3.31Å; D826-R830 WeakPolarHBondContact O-CB 3.4Å; D826-R830 PolarHBondContact O-N 2.92Å
827E85.3Confident85.6Confident60 Ų6098.5 Ų98.528%0.2847%0.472SS..Hα-helixtrans-65.4-42.3171.1-76-174.9-145.300112.7Q823 R830 R831Q823-E827 HydrophobicContact CG-CG 4.43Å; Q823-E827 WeakPolarHBondContact CG-OE1 3.3Å; Q823-E827 PolarHBondContact NE2-OE1 3.02Å; Q823-E827 WeakPolarHBondContact O-CB 3.39Å; Q823-E827 WeakPolarHBondContact O-CG 3.41Å; Q823-E827 PolarHBondContact O-N 3.42Å; E827-R830 WeakPolarHBondContact O-CB 3.43Å; E827-R830 PolarHBondContact O-N 2.99Å; E827-R831 WeakPolarHBondContact O-CG 3.44Å; E827-R831 PolarHBondContact O-N 3.17Å; E827-R831 IonicContact OE2-NH2 3.15Å; E827-R831 PolarHBondContact OE2-NH2 3.09Å; E827-R831 VanDerWaalsContact OE2-NH2 3.15Å
828L86.9Confident85.6Confident98 Ų9898.9 Ų98.951%0.51348%0.476SS..Hα-helixtrans-62-42.7172.7-76.3167.4000111.5E824 R830 R831 L832E824-L828 WeakPolarHBondContact O-CB 3.49Å; E824-L828 VanDerWaalsContact O-CG 3.24Å; E824-L828 WeakPolarHBondContact O-CG 3.39Å; E824-L828 PolarHBondContact O-N 2.94Å; L828-R830 VanDerWaalsContact C-N 3.27Å; L828-R830 PolarHBondContact O-N 2.92Å; L828-R831 PolarHBondContact O-N 3.32Å; L828-L832 WeakPolarHBondContact O-CG 3.42Å; L828-L832 PolarHBondContact O-N 3.27Å
829N77.6Confident85.5Confident84 Ų8497.1 Ų97.145%0.44947%0.469SS..Hα-helixtrans-64.1-30173.7-84.7-75.5000113R825 D826 K833R825-N829 WeakPolarHBondContact O-CB 3.39Å; R825-N829 PolarHBondContact O-N 2.93Å; R825-N829 PolarHBondContact O-ND2 3.49Å; D826-N829 PolarHBondContact O-N 3.31Å; N829-K833 WeakPolarHBondContact O-CD 3.39Å; N829-K833 VanDerWaalsContact O-CG 3.25Å; N829-K833 WeakPolarHBondContact O-CG 3.39Å; N829-K833 PolarHBondContact O-N 3.35Å
830R85.5Confident85.5Confident121 Ų12196.3 Ų96.346%0.45747%0.468SS..Hα-helixtrans-70-50.2172.6-177.21786879.5-0.2111.1D826 E827 L828 L832 K833 E834D826-R830 WeakPolarHBondContact O-CB 3.4Å; D826-R830 PolarHBondContact O-N 2.92Å; E827-R830 WeakPolarHBondContact O-CB 3.43Å; E827-R830 PolarHBondContact O-N 2.99Å; L828-R830 VanDerWaalsContact C-N 3.27Å; L828-R830 PolarHBondContact O-N 2.92Å; R830-L832 PolarHBondContact O-N 2.87Å; R830-K833 WeakPolarHBondContact O-CB 3.42Å; R830-K833 PolarHBondContact O-N 3.23Å; R830-K833 VanDerWaalsContact O-N 3.09Å; R830-E834 WeakPolarHBondContact CD-OE1 3.46Å; R830-E834 HydrophobicContact CG-CG 4.5Å; R830-E834 WeakPolarHBondContact CG-OE1 3.34Å; R830-E834 IonicContact CZ-OE1 2.84Å; R830-E834 IonicContact CZ-OE2 2.8Å; R830-E834 IonicContact NE-OE1 2.66Å; R830-E834 IonicContact NH1-OE1 3.77Å; R830-E834 PolarHBondContact NH1-OE1 3.42Å; R830-E834 IonicContact NH1-OE2 2.98Å; R830-E834 PolarHBondContact NH1-OE2 3.02Å; R830-E834 PolarHBondContact O-N 2.99Å
831R86.4Confident85.6Confident122 Ų12298.9 Ų98.946%0.4648%0.478SS..Hα-helixtrans-56.7-48.1178.3-67.2172.5-154.2-152.95.5111.6E827 L828 K833 E834 E835E827-R831 WeakPolarHBondContact O-CG 3.44Å; E827-R831 PolarHBondContact O-N 3.17Å; E827-R831 IonicContact OE2-NH2 3.15Å; E827-R831 PolarHBondContact OE2-NH2 3.09Å; E827-R831 VanDerWaalsContact OE2-NH2 3.15Å; L828-R831 PolarHBondContact O-N 3.32Å; R831-K833 VanDerWaalsContact C-N 3.27Å; R831-K833 PolarHBondContact O-N 3.38Å; R831-E834 PolarHBondContact O-N 2.73Å; R831-E834 VanDerWaalsContact O-N 3.1Å; R831-E835 WeakPolarHBondContact O-CB 3.27Å; R831-E835 WeakPolarHBondContact O-CG 3.41Å; R831-E835 PolarHBondContact O-N 3.04Å
832L84.4Confident85.8Confident103 Ų103103.8 Ų103.854%0.53950%0.495SS..Hα-helixtrans-60.7-31.9176.9-70.7170.5000113.6L828 R830 A836L828-L832 WeakPolarHBondContact O-CG 3.42Å; L828-L832 PolarHBondContact O-N 3.27Å; R830-L832 PolarHBondContact O-N 2.87Å; L832-A836 WeakPolarHBondContact O-CB 3.41Å; L832-A836 PolarHBondContact O-N 3.05Å
833K85Confident85.9Confident142 Ų142106.3 Ų106.362%0.61750%0.503SS*.Hα-helixtrans-74.9-39.2173.9-73.3169.2-174.4173.90112N829 R830 R831 A836 V837N829-K833 WeakPolarHBondContact O-CD 3.39Å; N829-K833 VanDerWaalsContact O-CG 3.25Å; N829-K833 WeakPolarHBondContact O-CG 3.39Å; N829-K833 PolarHBondContact O-N 3.35Å; R830-K833 WeakPolarHBondContact O-CB 3.42Å; R830-K833 PolarHBondContact O-N 3.23Å; R830-K833 VanDerWaalsContact O-N 3.09Å; R831-K833 VanDerWaalsContact C-N 3.27Å; R831-K833 PolarHBondContact O-N 3.38Å; K833-A836 PolarHBondContact O-N 2.92Å; K833-V837 WeakPolarHBondContact O-CG2 3.4Å; K833-V837 PolarHBondContact O-N 2.8Å
834E86.6Confident85.8Confident91 Ų91105.5 Ų105.543%0.42550%0.499SS..Hα-helixtrans-68-39.2176.8-73.1165.5-172.400111.3R830 R831 V837 Q838R830-E834 WeakPolarHBondContact CD-OE1 3.46Å; R830-E834 HydrophobicContact CG-CG 4.5Å; R830-E834 WeakPolarHBondContact CG-OE1 3.34Å; R830-E834 IonicContact CZ-OE1 2.84Å; R830-E834 IonicContact CZ-OE2 2.8Å; R830-E834 IonicContact NE-OE1 2.66Å; R830-E834 IonicContact NH1-OE1 3.77Å; R830-E834 PolarHBondContact NH1-OE1 3.42Å; R830-E834 IonicContact NH1-OE2 2.98Å; R830-E834 PolarHBondContact NH1-OE2 3.02Å; R830-E834 PolarHBondContact O-N 2.99Å; R831-E834 PolarHBondContact O-N 2.73Å; R831-E834 VanDerWaalsContact O-N 3.1Å; E834-V837 PolarHBondContact O-N 2.91Å; E834-Q838 WeakPolarHBondContact O-CB 3.28Å; E834-Q838 VanDerWaalsContact O-CG 3.26Å; E834-Q838 WeakPolarHBondContact O-CG 3.45Å; E834-Q838 PolarHBondContact O-N 3.35Å
835E87.6Confident85.9Confident110 Ų110105.3 Ų105.351%0.51450%0.498SS..Hα-helixtrans-61.5-44.9169.8-73.4166.1-153.600111.8R831 V837 Q838 T839R831-E835 WeakPolarHBondContact O-CB 3.27Å; R831-E835 WeakPolarHBondContact O-CG 3.41Å; R831-E835 PolarHBondContact O-N 3.04Å; E835-V837 PolarHBondContact O-N 2.65Å; E835-Q838 PolarHBondContact O-N 2.96Å; E835-T839 WeakPolarHBondContact O-CG2 3.27Å; E835-T839 PolarHBondContact O-N 3.42Å; E835-T839 PolarHBondContact O-OG1 3.22Å
836A82.9Confident86.3Confident51 Ų51104.6 Ų104.642%0.42150%0.5SS..Hα-helixtrans-63.5-38175.400000112.9L832 K833 T839 Q840L832-A836 WeakPolarHBondContact O-CB 3.41Å; L832-A836 PolarHBondContact O-N 3.05Å; K833-A836 PolarHBondContact O-N 2.92Å; A836-T839 PolarHBondContact O-OG1 3.31Å; A836-T839 VanDerWaalsContact O-OG1 3.1Å; A836-Q840 VanDerWaalsContact O-CB 3.26Å; A836-Q840 WeakPolarHBondContact O-CB 3.44Å; A836-Q840 PolarHBondContact O-N 2.88Å
837V90Very high86.5Confident75 Ų75105.2 Ų105.246%0.45550%0.503SS..Hα-helixtrans-70.7-35.51741700000111.4K833 E834 E835 K841K833-V837 WeakPolarHBondContact O-CG2 3.4Å; K833-V837 PolarHBondContact O-N 2.8Å; E834-V837 PolarHBondContact O-N 2.91Å; E835-V837 PolarHBondContact O-N 2.65Å; V837-K841 WeakPolarHBondContact O-CB 3.43Å; V837-K841 WeakPolarHBondContact O-CG 3.43Å; V837-K841 PolarHBondContact O-N 3.15Å
838Q86.8Confident86.7Confident111 Ų111107.4 Ų107.452%0.51951%0.513SS..Hα-helixtrans-66.1-44.3174.1-80-76.9-100112.1E834 E835 K841 K842E834-Q838 WeakPolarHBondContact O-CB 3.28Å; E834-Q838 VanDerWaalsContact O-CG 3.26Å; E834-Q838 WeakPolarHBondContact O-CG 3.45Å; E834-Q838 PolarHBondContact O-N 3.35Å; E835-Q838 PolarHBondContact O-N 2.96Å; Q838-K841 PolarHBondContact O-N 2.65Å; Q838-K842 WeakPolarHBondContact O-CG 3.5Å; Q838-K842 PolarHBondContact O-N 2.91Å
839T86.5Confident86.7Confident73 Ų73106.4 Ų106.445%0.44851%0.508SS..Hα-helixtrans-68-40.3175.356.10000111.5E835 A836 K841 K842 F843E835-T839 WeakPolarHBondContact O-CG2 3.27Å; E835-T839 PolarHBondContact O-N 3.42Å; E835-T839 PolarHBondContact O-OG1 3.22Å; A836-T839 PolarHBondContact O-OG1 3.31Å; A836-T839 VanDerWaalsContact O-OG1 3.1Å; T839-K841 PolarHBondContact O-N 3.45Å; T839-K842 PolarHBondContact O-N 2.99Å; T839-F843 VanDerWaalsContact O-CD2 3.24Å; T839-F843 WeakPolarHBondContact O-CD2 3.41Å; T839-F843 PolarHBondContact O-N 2.86Å
840Q86.3Confident87.2Confident126 Ų126107.8 Ų107.859%0.58951%0.512SS*.Hα-helixtrans-58.9-44.4173.2-175.2176.70.400111.9A836 F843 Q844A836-Q840 VanDerWaalsContact O-CB 3.26Å; A836-Q840 WeakPolarHBondContact O-CB 3.44Å; A836-Q840 PolarHBondContact O-N 2.88Å; Q840-F843 PolarHBondContact O-N 3.21Å; Q840-Q844 WeakPolarHBondContact O-CB 3.31Å; Q840-Q844 PolarHBondContact O-N 3.39Å
841K88.9Confident87.3Confident133 Ų133105.8 Ų105.858%0.57851%0.513SS*.Hα-helixtrans-62-42.1174.6-79.6-177.6176.5-171.70112.6V837 Q838 T839 Q844 Q845V837-K841 WeakPolarHBondContact O-CB 3.43Å; V837-K841 WeakPolarHBondContact O-CG 3.43Å; V837-K841 PolarHBondContact O-N 3.15Å; Q838-K841 PolarHBondContact O-N 2.65Å; T839-K841 PolarHBondContact O-N 3.45Å; K841-Q844 PolarHBondContact O-N 3.45Å; K841-Q845 WeakPolarHBondContact O-CB 3.21Å; K841-Q845 PolarHBondContact O-N 2.94Å
842K87.9Confident87.3Confident134 Ų134102.5 Ų102.558%0.58351%0.509SS*.Hα-helixtrans-63.7-43.9176.9-73.4174.7-179-176.50112Q838 T839 Q845 Q846Q838-K842 WeakPolarHBondContact O-CG 3.5Å; Q838-K842 PolarHBondContact O-N 2.91Å; T839-K842 PolarHBondContact O-N 2.99Å; K842-Q845 PolarHBondContact O-N 2.95Å; K842-Q846 WeakPolarHBondContact O-CB 3.23Å; K842-Q846 VanDerWaalsContact O-CG 3.27Å; K842-Q846 WeakPolarHBondContact O-CG 3.5Å; K842-Q846 PolarHBondContact O-N 2.88Å
843F88.2Confident87.6Confident138 Ų138103 Ų10361%0.60551%0.508SS*.Hα-helixtrans-64.2-39173.5-80.3-60.4000112.5T839 Q840 Q846 L847T839-F843 VanDerWaalsContact O-CD2 3.24Å; T839-F843 WeakPolarHBondContact O-CD2 3.41Å; T839-F843 PolarHBondContact O-N 2.86Å; Q840-F843 PolarHBondContact O-N 3.21Å; F843-Q846 PolarHBondContact O-N 2.9Å; F843-L847 WeakPolarHBondContact O-CB 3.46Å; F843-L847 PolarHBondContact O-N 3.09Å
844Q86.7Confident87.6Confident102 Ų102100.9 Ų100.948%0.47750%0.501SS..Hα-helixtrans-67.5-41.3177.8-175172.2-17.900111.7Q840 K841 L847 E848Q840-Q844 WeakPolarHBondContact O-CB 3.31Å; Q840-Q844 PolarHBondContact O-N 3.39Å; K841-Q844 PolarHBondContact O-N 3.45Å; Q844-L847 WeakPolarHBondContact O-CB 3.38Å; Q844-L847 PolarHBondContact O-N 3.08Å; Q844-E848 WeakPolarHBondContact CG-OE1 3.39Å; Q844-E848 PolarHBondContact NE2-OE1 2.93Å; Q844-E848 VanDerWaalsContact NE2-OE1 3.15Å; Q844-E848 WeakPolarHBondContact O-CG 3.44Å; Q844-E848 PolarHBondContact O-N 3.32Å
845Q90.1Very high87.6Confident118 Ų11898.7 Ų98.755%0.55150%0.498SS*.Hα-helixtrans-66.8-39.8174.4-172.3167.92.300111.9K841 K842 L847 E848 D849K841-Q845 WeakPolarHBondContact O-CB 3.21Å; K841-Q845 PolarHBondContact O-N 2.94Å; K842-Q845 PolarHBondContact O-N 2.95Å; Q845-L847 VanDerWaalsContact C-N 3.29Å; Q845-L847 PolarHBondContact O-N 2.92Å; Q845-E848 PolarHBondContact O-N 3.47Å; Q845-D849 WeakPolarHBondContact O-CB 3.47Å; Q845-D849 VanDerWaalsContact O-CG 3.25Å; Q845-D849 PolarHBondContact O-N 3.19Å
846Q88.9Confident87.7Confident107 Ų10798.7 Ų98.750%0.550%0.498SS..Hα-helixtrans-60-38.1171.1-76.5174-3300112.3K842 F843 E850K842-Q846 WeakPolarHBondContact O-CB 3.23Å; K842-Q846 VanDerWaalsContact O-CG 3.27Å; K842-Q846 WeakPolarHBondContact O-CG 3.5Å; K842-Q846 PolarHBondContact O-N 2.88Å; F843-Q846 PolarHBondContact O-N 2.9Å; Q846-E850 WeakPolarHBondContact O-CB 3.42Å; Q846-E850 WeakPolarHBondContact O-CG 3.49Å; Q846-E850 PolarHBondContact O-N 3.25Å
847L88.2Confident88Confident110 Ų110101.3 Ų101.358%0.57651%0.505SS*.Hα-helixtrans-67.2-41.1174.8-160.480.1000111.3F843 Q844 Q845 E850 T851F843-L847 WeakPolarHBondContact O-CB 3.46Å; F843-L847 PolarHBondContact O-N 3.09Å; Q844-L847 WeakPolarHBondContact O-CB 3.38Å; Q844-L847 PolarHBondContact O-N 3.08Å; Q845-L847 VanDerWaalsContact C-N 3.29Å; Q845-L847 PolarHBondContact O-N 2.92Å; L847-E850 PolarHBondContact O-N 3.5Å; L847-T851 VanDerWaalsContact O-CG2 3.28Å; L847-T851 WeakPolarHBondContact O-CG2 3.36Å; L847-T851 PolarHBondContact O-N 3.49Å; L847-T851 PolarHBondContact O-OG1 2.7Å
848E88.4Confident87.9Confident107 Ų107103.7 Ų103.750%0.551%0.509SS..Hα-helixtrans-62.6-46.5175.4-73.2165.7-163.700110.7Q844 Q845 T851 S852Q844-E848 WeakPolarHBondContact CG-OE1 3.39Å; Q844-E848 PolarHBondContact NE2-OE1 2.93Å; Q844-E848 VanDerWaalsContact NE2-OE1 3.15Å; Q844-E848 WeakPolarHBondContact O-CG 3.44Å; Q844-E848 PolarHBondContact O-N 3.32Å; Q845-E848 PolarHBondContact O-N 3.47Å; E848-T851 WeakPolarHBondContact CA-OG1 3.39Å; E848-T851 PolarHBondContact O-N 3.26Å; E848-T851 PolarHBondContact O-OG1 3.06Å; E848-S852 PolarHBondContact O-N 2.87Å
849D88.3Confident88.2Confident76 Ų76104.7 Ų104.741%0.40651%0.514SS..Hα-helixtrans-62.8-39.7174.5-67-28.2000113.2Q845 S852 Q853Q845-D849 WeakPolarHBondContact O-CB 3.47Å; Q845-D849 VanDerWaalsContact O-CG 3.25Å; Q845-D849 PolarHBondContact O-N 3.19Å; D849-S852 PolarHBondContact O-OG 3.45Å; D849-Q853 VanDerWaalsContact O-CG 3.31Å; D849-Q853 WeakPolarHBondContact O-CG 3.47Å; D849-Q853 PolarHBondContact O-N 3.33Å; D849-Q853 VanDerWaalsContact O-N 3.13Å
850E86.7Confident88.4Confident113 Ų113106.4 Ų106.453%0.52852%0.516SS..Hα-helixtrans-67.9-36.1173.2-79.4-174.7-174.600111.5Q846 L847 Q854Q846-E850 WeakPolarHBondContact O-CB 3.42Å; Q846-E850 WeakPolarHBondContact O-CG 3.49Å; Q846-E850 PolarHBondContact O-N 3.25Å; L847-E850 PolarHBondContact O-N 3.5Å; E850-Q854 WeakPolarHBondContact O-CB 3.33Å; E850-Q854 VanDerWaalsContact O-CG 3.29Å; E850-Q854 WeakPolarHBondContact O-CG 3.46Å; E850-Q854 PolarHBondContact O-N 3.03Å
851T88.1Confident88.6Confident80 Ų80106 Ų10649%0.49152%0.518SS..Hα-helixtrans-71.3-31.8176.758.20000113.4L847 E848 Q854 A855L847-T851 VanDerWaalsContact O-CG2 3.28Å; L847-T851 WeakPolarHBondContact O-CG2 3.36Å; L847-T851 PolarHBondContact O-N 3.49Å; L847-T851 PolarHBondContact O-OG1 2.7Å; E848-T851 WeakPolarHBondContact CA-OG1 3.39Å; E848-T851 PolarHBondContact O-N 3.26Å; E848-T851 PolarHBondContact O-OG1 3.06Å; T851-Q854 PolarHBondContact O-N 3.37Å; T851-A855 PolarHBondContact O-N 3.43Å
852S87.6Confident88.8Confident52 Ų52103.4 Ų103.436%0.36451%0.513SS..Hα-helixtrans-70.3-45.1173.764.50000111.2E848 D849 Q854 A855 E856E848-S852 PolarHBondContact O-N 2.87Å; D849-S852 PolarHBondContact O-OG 3.45Å; S852-Q854 VanDerWaalsContact C-N 3.3Å; S852-Q854 PolarHBondContact O-N 3.49Å; S852-A855 WeakPolarHBondContact O-CA 3.3Å; S852-A855 WeakPolarHBondContact O-CB 3.47Å; S852-A855 PolarHBondContact O-N 3.32Å; S852-E856 PolarHBondContact O-N 2.73Å
853Q89.9Confident88.9Confident113 Ų113103.4 Ų103.453%0.52852%0.515SS..Hα-helixtrans-59.2-39.7172.1-69.7171.235.800111.9D849 A855 E856 L857D849-Q853 VanDerWaalsContact O-CG 3.31Å; D849-Q853 WeakPolarHBondContact O-CG 3.47Å; D849-Q853 PolarHBondContact O-N 3.33Å; D849-Q853 VanDerWaalsContact O-N 3.13Å; Q853-A855 VanDerWaalsContact C-N 3.27Å; Q853-A855 PolarHBondContact O-N 2.97Å; Q853-E856 PolarHBondContact O-N 2.93Å; Q853-L857 WeakPolarHBondContact O-CB 3.41Å; Q853-L857 VanDerWaalsContact O-CG 3.27Å; Q853-L857 WeakPolarHBondContact O-CG 3.39Å; Q853-L857 PolarHBondContact O-N 2.94Å
854Q84.6Confident88.8Confident98 Ų98102.8 Ų102.846%0.45852%0.517SS..Hα-helixtrans-68.9-19.6172.3-77.5-174.637.800114.1E850 T851 S852 K858E850-Q854 WeakPolarHBondContact O-CB 3.33Å; E850-Q854 VanDerWaalsContact O-CG 3.29Å; E850-Q854 WeakPolarHBondContact O-CG 3.46Å; E850-Q854 PolarHBondContact O-N 3.03Å; T851-Q854 PolarHBondContact O-N 3.37Å; S852-Q854 VanDerWaalsContact C-N 3.3Å; S852-Q854 PolarHBondContact O-N 3.49Å; Q854-K858 WeakPolarHBondContact O-CD 3.45Å; Q854-K858 VanDerWaalsContact O-CE 3.24Å; Q854-K858 WeakPolarHBondContact O-CE 3.4Å; Q854-K858 WeakPolarHBondContact O-CG 3.45Å; Q854-K858 PolarHBondContact O-NZ 3.21Å
855A87.6Confident89Confident45 Ų45100.7 Ų100.737%0.37251%0.513SS..Hα-helixtrans-80.5-49.317200000110.2T851 S852 Q853 L857 K858 E859T851-A855 PolarHBondContact O-N 3.43Å; S852-A855 WeakPolarHBondContact O-CA 3.3Å; S852-A855 WeakPolarHBondContact O-CB 3.47Å; S852-A855 PolarHBondContact O-N 3.32Å; Q853-A855 VanDerWaalsContact C-N 3.27Å; Q853-A855 PolarHBondContact O-N 2.97Å; A855-L857 VanDerWaalsContact C-N 3.33Å; A855-L857 PolarHBondContact O-N 2.72Å; A855-K858 WeakPolarHBondContact O-CA 3.49Å; A855-K858 WeakPolarHBondContact O-CB 3.38Å; A855-K858 PolarHBondContact O-N 3.13Å; A855-E859 PolarHBondContact O-N 3.21Å
856E89.6Confident89.2Confident111 Ų111100.3 Ų100.352%0.51952%0.515SS..Hα-helixtrans-55.2-45.7175-68.6178.1-17600111.9S852 Q853 K858 E859 Q860S852-E856 PolarHBondContact O-N 2.73Å; Q853-E856 PolarHBondContact O-N 2.93Å; E856-K858 VanDerWaalsContact C-N 3.29Å; E856-K858 PolarHBondContact O-N 2.99Å; E856-E859 PolarHBondContact O-N 2.7Å; E856-Q860 WeakPolarHBondContact O-CB 3.47Å; E856-Q860 VanDerWaalsContact O-CG 3.29Å; E856-Q860 WeakPolarHBondContact O-CG 3.5Å; E856-Q860 PolarHBondContact O-N 2.96Å
857L87.7Confident89.3Confident106 Ų106100.7 Ų100.756%0.55551%0.512SS*.Hα-helixtrans-64.2-30.7176.1-73170.5000112.9Q853 A855 L861Q853-L857 WeakPolarHBondContact O-CB 3.41Å; Q853-L857 VanDerWaalsContact O-CG 3.27Å; Q853-L857 WeakPolarHBondContact O-CG 3.39Å; Q853-L857 PolarHBondContact O-N 2.94Å; A855-L857 VanDerWaalsContact C-N 3.33Å; A855-L857 PolarHBondContact O-N 2.72Å; L857-L861 VanDerWaalsContact O-CB 3.29Å; L857-L861 WeakPolarHBondContact O-CB 3.3Å; L857-L861 PolarHBondContact O-N 3.3Å
858K89.8Confident89.4Confident124 Ų124102.4 Ų102.454%0.53952%0.515SS..Hα-helixtrans-73.6-40.7173.9-74.1164.5-163.8142.70111.2Q854 A855 E856 L861 V862Q854-K858 WeakPolarHBondContact O-CD 3.45Å; Q854-K858 VanDerWaalsContact O-CE 3.24Å; Q854-K858 WeakPolarHBondContact O-CE 3.4Å; Q854-K858 WeakPolarHBondContact O-CG 3.45Å; Q854-K858 PolarHBondContact O-NZ 3.21Å; A855-K858 WeakPolarHBondContact O-CA 3.49Å; A855-K858 WeakPolarHBondContact O-CB 3.38Å; A855-K858 PolarHBondContact O-N 3.13Å; E856-K858 VanDerWaalsContact C-N 3.29Å; E856-K858 PolarHBondContact O-N 2.99Å; K858-L861 PolarHBondContact O-N 3.2Å; K858-V862 WeakPolarHBondContact O-CG2 3.46Å; K858-V862 PolarHBondContact O-N 2.99Å
859E91.3Very high89.5Confident133 Ų133102 Ų10262%0.62151%0.513SS*.Hα-helixtrans-64.6-41.9174.8-69.6-173.5166.300111.6A855 E856 L861 V862 H863A855-E859 PolarHBondContact O-N 3.21Å; E856-E859 PolarHBondContact O-N 2.7Å; E859-L861 PolarHBondContact O-N 3.37Å; E859-V862 PolarHBondContact O-N 3.15Å; E859-H863 PolarHBondContact O-CD2 3.23Å; E859-H863 PolarHBondContact O-N 3.24Å
860Q91.4Very high89.7Confident108 Ų108102.6 Ų102.651%0.50551%0.513SS..Hα-helixtrans-60.2-43.1171.8-70.9173.226.300111.8E856 V862 H863 L864E856-Q860 WeakPolarHBondContact O-CB 3.47Å; E856-Q860 VanDerWaalsContact O-CG 3.29Å; E856-Q860 WeakPolarHBondContact O-CG 3.5Å; E856-Q860 PolarHBondContact O-N 2.96Å; Q860-V862 PolarHBondContact O-N 2.9Å; Q860-H863 PolarHBondContact O-N 3.4Å; Q860-L864 WeakPolarHBondContact O-CB 3.31Å; Q860-L864 VanDerWaalsContact O-CG 3.28Å; Q860-L864 WeakPolarHBondContact O-CG 3.38Å; Q860-L864 PolarHBondContact O-N 3.07Å
861L89.6Confident89.7Confident118 Ų118101.2 Ų101.262%0.61851%0.508SS*.Hα-helixtrans-66-36.7176.8-160.7161.3000111.7L857 K858 E859 L864 S865L857-L861 VanDerWaalsContact O-CB 3.29Å; L857-L861 WeakPolarHBondContact O-CB 3.3Å; L857-L861 PolarHBondContact O-N 3.3Å; K858-L861 PolarHBondContact O-N 3.2Å; E859-L861 PolarHBondContact O-N 3.37Å; L861-L864 PolarHBondContact O-N 2.86Å; L861-S865 WeakPolarHBondContact O-CB 3.42Å; L861-S865 PolarHBondContact O-N 3.45Å; L861-S865 PolarHBondContact O-OG 3.48Å
862V93.2Very high89.9Confident78 Ų78101.5 Ų101.547%0.47350%0.503SS..Hα-helixtrans-66.7-42.9172.1169.50000111.6K858 E859 Q860 L864 S865 L866K858-V862 WeakPolarHBondContact O-CG2 3.46Å; K858-V862 PolarHBondContact O-N 2.99Å; E859-V862 PolarHBondContact O-N 3.15Å; Q860-V862 PolarHBondContact O-N 2.9Å; V862-L864 PolarHBondContact O-N 3.1Å; V862-S865 PolarHBondContact O-N 2.9Å; V862-S865 PolarHBondContact O-OG 3.21Å; V862-L866 HydrophobicContact CG1-CD1 4.01Å; V862-L866 HydrophobicContact CG1-CG 4.48Å; V862-L866 WeakPolarHBondContact O-CB 3.32Å; V862-L866 WeakPolarHBondContact O-CG 3.33Å; V862-L866 PolarHBondContact O-N 3.43Å
863H90.6Very high90.1Very high135 Ų135103.6 Ų103.663%0.62551%0.507SS*.Hα-helixtrans-62.4-41.4173.8-91.6-74.5000112.3E859 Q860 R867E859-H863 PolarHBondContact O-CD2 3.23Å; E859-H863 PolarHBondContact O-N 3.24Å; Q860-H863 PolarHBondContact O-N 3.4Å; H863-R867 WeakPolarHBondContact O-CB 3.45Å; H863-R867 PolarHBondContact O-N 2.84Å
864L87.1Confident90.2Very high124 Ų124102.3 Ų102.365%0.64950%0.501SS*.Hα-helixtrans-68.6-34.1176-71.6170.7000112.4Q860 L861 V862 K868Q860-L864 WeakPolarHBondContact O-CB 3.31Å; Q860-L864 VanDerWaalsContact O-CG 3.28Å; Q860-L864 WeakPolarHBondContact O-CG 3.38Å; Q860-L864 PolarHBondContact O-N 3.07Å; L861-L864 PolarHBondContact O-N 2.86Å; V862-L864 PolarHBondContact O-N 3.1Å; L864-K868 VanDerWaalsContact O-CB 3.3Å; L864-K868 WeakPolarHBondContact O-CB 3.35Å; L864-K868 PolarHBondContact O-N 2.91Å
865S91.1Very high90.4Very high58 Ų58102.3 Ų102.341%0.40650%0.504SS..Hα-helixtrans-73.7-38.9175.873.90000112.3L861 V862 K868 E869L861-S865 WeakPolarHBondContact O-CB 3.42Å; L861-S865 PolarHBondContact O-N 3.45Å; L861-S865 PolarHBondContact O-OG 3.48Å; V862-S865 PolarHBondContact O-N 2.9Å; V862-S865 PolarHBondContact O-OG 3.21Å; S865-K868 WeakPolarHBondContact O-CB 3.45Å; S865-K868 PolarHBondContact O-N 2.94Å; S865-E869 PolarHBondContact O-N 3.15Å
866L92.8Very high90.7Very high110 Ų110104.2 Ų104.258%0.57651%0.505SS*.Hα-helixtrans-60.8-46.1169.9-73.8169.4000111.4V862 K868 E869 E870V862-L866 HydrophobicContact CG1-CD1 4.01Å; V862-L866 HydrophobicContact CG1-CG 4.48Å; V862-L866 WeakPolarHBondContact O-CB 3.32Å; V862-L866 WeakPolarHBondContact O-CG 3.33Å; V862-L866 PolarHBondContact O-N 3.43Å; L866-K868 VanDerWaalsContact C-N 3.32Å; L866-K868 PolarHBondContact O-N 2.87Å; L866-E869 PolarHBondContact O-N 3.39Å; L866-E870 WeakPolarHBondContact O-CB 3.44Å; L866-E870 PolarHBondContact O-N 2.92Å
867R92.3Very high90.8Very high116 Ų116102.5 Ų102.544%0.43850%0.499SS..Hα-helixtrans-65.8-34.1176.7-176.355.8178.5-1765.1112.4H863 E870 L871H863-R867 WeakPolarHBondContact O-CB 3.45Å; H863-R867 PolarHBondContact O-N 2.84Å; R867-E870 WeakPolarHBondContact CD-OE2 3.34Å; R867-E870 IonicContact CZ-OE2 2.74Å; R867-E870 IonicContact NE-OE2 3.95Å; R867-E870 IonicContact NH1-OE1 2.81Å; R867-E870 PolarHBondContact NH1-OE1 3.37Å; R867-E870 IonicContact NH1-OE2 2.73Å; R867-E870 PolarHBondContact NH1-OE2 3.07Å; R867-L871 HydrophobicContact CG-CD1 4.14Å; R867-L871 WeakPolarHBondContact O-CB 3.36Å; R867-L871 VanDerWaalsContact O-CG 3.25Å; R867-L871 WeakPolarHBondContact O-CG 3.49Å; R867-L871 PolarHBondContact O-N 3.27Å
868K89.3Confident90.9Very high146 Ų146103.3 Ų103.364%0.63550%0.498SS*.Hα-helixtrans-63-45.6172.4179.2-173167.2-174.30111.3L864 S865 L866 L871 K872L864-K868 VanDerWaalsContact O-CB 3.3Å; L864-K868 WeakPolarHBondContact O-CB 3.35Å; L864-K868 PolarHBondContact O-N 2.91Å; S865-K868 WeakPolarHBondContact O-CB 3.45Å; S865-K868 PolarHBondContact O-N 2.94Å; L866-K868 VanDerWaalsContact C-N 3.32Å; L866-K868 PolarHBondContact O-N 2.87Å; K868-L871 PolarHBondContact O-N 3.43Å; K868-K872 WeakPolarHBondContact O-CB 3.32Å; K868-K872 PolarHBondContact O-N 3.37Å
869E90.8Very high91Very high99 Ų99102.8 Ų102.846%0.46350%0.498SS..Hα-helixtrans-72.1-33.6-179.5-15562.3-154.300111.8S865 L866 K872 Q873S865-E869 PolarHBondContact O-N 3.15Å; L866-E869 PolarHBondContact O-N 3.39Å; E869-K872 PolarHBondContact O-N 2.9Å; E869-K872 WeakPolarHBondContact OE1-CD 3.34Å; E869-K872 WeakPolarHBondContact OE1-CE 3.13Å; E869-K872 IonicContact OE1-NZ 3.16Å; E869-K872 PolarHBondContact OE1-NZ 2.91Å; E869-Q873 PolarHBondContact O-N 2.89Å
870E91.6Very high91Very high88 Ų8899 Ų9941%0.41149%0.489SS..Hα-helixtrans-61.2-46.3170-168.7-158.4161.200111.8L866 R867 K872 Q873 Q874L866-E870 WeakPolarHBondContact O-CB 3.44Å; L866-E870 PolarHBondContact O-N 2.92Å; R867-E870 WeakPolarHBondContact CD-OE2 3.34Å; R867-E870 IonicContact CZ-OE2 2.74Å; R867-E870 IonicContact NE-OE2 3.95Å; R867-E870 IonicContact NH1-OE1 2.81Å; R867-E870 PolarHBondContact NH1-OE1 3.37Å; R867-E870 IonicContact NH1-OE2 2.73Å; R867-E870 PolarHBondContact NH1-OE2 3.07Å; E870-K872 VanDerWaalsContact C-N 3.31Å; E870-K872 PolarHBondContact O-N 3.06Å; E870-Q873 PolarHBondContact O-N 3.11Å; E870-Q874 WeakPolarHBondContact O-CG 3.27Å; E870-Q874 PolarHBondContact O-N 3.43Å; E870-Q874 PolarHBondContact OE1-NE2 3.49Å; E870-Q874 VanDerWaalsContact OE1-NE2 3.1Å
871L88.8Confident91.1Very high83 Ų8399 Ų9944%0.43549%0.489SS..Hα-helixtrans-65.7-33.6175.4-74.3167.9000112.2R867 K868 Q874 L875R867-L871 HydrophobicContact CG-CD1 4.14Å; R867-L871 WeakPolarHBondContact O-CB 3.36Å; R867-L871 VanDerWaalsContact O-CG 3.25Å; R867-L871 WeakPolarHBondContact O-CG 3.49Å; R867-L871 PolarHBondContact O-N 3.27Å; K868-L871 PolarHBondContact O-N 3.43Å; L871-Q874 PolarHBondContact O-N 2.82Å; L871-L875 WeakPolarHBondContact O-CB 3.42Å; L871-L875 PolarHBondContact O-N 3.26Å
872K90.8Very high91.2Very high87 Ų8797.8 Ų97.838%0.37848%0.483SS..Hα-helixtrans-67.6-44173.9176.2175.8156-640111.4K868 E869 E870 Q874 L875 E876K868-K872 WeakPolarHBondContact O-CB 3.32Å; K868-K872 PolarHBondContact O-N 3.37Å; E869-K872 PolarHBondContact O-N 2.9Å; E869-K872 WeakPolarHBondContact OE1-CD 3.34Å; E869-K872 WeakPolarHBondContact OE1-CE 3.13Å; E869-K872 IonicContact OE1-NZ 3.16Å; E869-K872 PolarHBondContact OE1-NZ 2.91Å; E870-K872 VanDerWaalsContact C-N 3.31Å; E870-K872 PolarHBondContact O-N 3.06Å; K872-Q874 PolarHBondContact O-N 3.04Å; K872-L875 WeakPolarHBondContact O-CB 3.5Å; K872-L875 PolarHBondContact O-N 3.1Å; K872-L875 VanDerWaalsContact O-N 3.12Å; K872-E876 WeakPolarHBondContact CE-OE1 3.39Å; K872-E876 WeakPolarHBondContact CG-OE1 3.35Å; K872-E876 IonicContact NZ-OE1 2.76Å; K872-E876 PolarHBondContact NZ-OE1 3.46Å; K872-E876 WeakPolarHBondContact O-CG 3.19Å; K872-E876 PolarHBondContact O-N 3.45Å
873Q92.6Very high91.2Very high96 Ų9698.3 Ų98.345%0.44948%0.48SS..Hα-helixtrans-60.2-45.4172.6-173.665.665.200111.1E869 E870 L875 E876 D877E869-Q873 PolarHBondContact O-N 2.89Å; E870-Q873 PolarHBondContact O-N 3.11Å; Q873-L875 PolarHBondContact O-N 2.67Å; Q873-E876 PolarHBondContact O-N 3.31Å; Q873-D877 PolarHBondContact NE2-OD1 3.28Å; Q873-D877 WeakPolarHBondContact O-CB 3.47Å; Q873-D877 PolarHBondContact O-N 3.29Å
874Q92.4Very high91.3Very high85 Ų8595.7 Ų95.740%0.39747%0.471SS..Hα-helixtrans-60.7-29.8175.4-72.4170.717.700112.8E870 L871 K872 K878E870-Q874 WeakPolarHBondContact O-CG 3.27Å; E870-Q874 PolarHBondContact O-N 3.43Å; E870-Q874 PolarHBondContact OE1-NE2 3.49Å; E870-Q874 VanDerWaalsContact OE1-NE2 3.1Å; L871-Q874 PolarHBondContact O-N 2.82Å; K872-Q874 PolarHBondContact O-N 3.04Å; Q874-K878 WeakPolarHBondContact O-CB 3.44Å; Q874-K878 WeakPolarHBondContact O-CG 3.44Å; Q874-K878 PolarHBondContact O-N 2.88Å
875L88.7Confident91.4Very high99 Ų9992.5 Ų92.552%0.51846%0.463SS..Hα-helixtrans-75.9-45.8175.6-159.8158.2000110.9L871 K872 Q873 D877 K878 E879L871-L875 WeakPolarHBondContact O-CB 3.42Å; L871-L875 PolarHBondContact O-N 3.26Å; K872-L875 WeakPolarHBondContact O-CB 3.5Å; K872-L875 PolarHBondContact O-N 3.1Å; K872-L875 VanDerWaalsContact O-N 3.12Å; Q873-L875 PolarHBondContact O-N 2.67Å; L875-D877 VanDerWaalsContact C-N 3.34Å; L875-D877 PolarHBondContact O-N 3.31Å; L875-K878 CarbonylContact O-C 3.6Å; L875-K878 PolarHBondContact O-N 3.37Å; L875-K878 VanDerWaalsContact O-N 3.14Å; L875-E879 HydrophobicContact CD2-CG 3.98Å; L875-E879 WeakPolarHBondContact CD2-OE1 3.47Å; L875-E879 PolarHBondContact O-N 3.47Å
876E92.6Very high91.5Very high84 Ų8494.3 Ų94.339%0.39346%0.463SS..Hα-helixtrans-59-42.7173.7-71.5173.3-149.100111.9K872 Q873 K878 E879 A880K872-E876 WeakPolarHBondContact CE-OE1 3.39Å; K872-E876 WeakPolarHBondContact CG-OE1 3.35Å; K872-E876 IonicContact NZ-OE1 2.76Å; K872-E876 PolarHBondContact NZ-OE1 3.46Å; K872-E876 WeakPolarHBondContact O-CG 3.19Å; K872-E876 PolarHBondContact O-N 3.45Å; Q873-E876 PolarHBondContact O-N 3.31Å; E876-K878 VanDerWaalsContact C-N 3.32Å; E876-K878 PolarHBondContact O-N 3Å; E876-E879 PolarHBondContact O-N 3.26Å; E876-A880 PolarHBondContact O-N 3.44Å
877D92.1Very high91.5Very high76 Ų7696.1 Ų96.141%0.40646%0.462SS..Hα-helixtrans-61.6-39.5174.8-64.8-13.3000111.4Q873 L875 A880 E881Q873-D877 PolarHBondContact NE2-OD1 3.28Å; Q873-D877 WeakPolarHBondContact O-CB 3.47Å; Q873-D877 PolarHBondContact O-N 3.29Å; L875-D877 VanDerWaalsContact C-N 3.34Å; L875-D877 PolarHBondContact O-N 3.31Å; D877-A880 PolarHBondContact O-N 3.4Å; D877-E881 PolarHBondContact O-N 2.94Å
878K89.9Confident91.5Very high122 Ų12295.3 Ų95.353%0.5347%0.47SS..Hα-helixtrans-76.7-28.8177.7-70.7-65.4173-147.70113.7Q874 L875 E876 E881 L882Q874-K878 WeakPolarHBondContact O-CB 3.44Å; Q874-K878 WeakPolarHBondContact O-CG 3.44Å; Q874-K878 PolarHBondContact O-N 2.88Å; L875-K878 CarbonylContact O-C 3.6Å; L875-K878 PolarHBondContact O-N 3.37Å; L875-K878 VanDerWaalsContact O-N 3.14Å; E876-K878 VanDerWaalsContact C-N 3.32Å; E876-K878 PolarHBondContact O-N 3Å; K878-E881 WeakPolarHBondContact CD-OE2 3.43Å; K878-E881 IonicContact NZ-OE1 2.75Å; K878-E881 PolarHBondContact NZ-OE1 3.17Å; K878-E881 IonicContact NZ-OE2 2.73Å; K878-E881 PolarHBondContact NZ-OE2 2.94Å; K878-L882 VanDerWaalsContact O-CB 3.29Å; K878-L882 WeakPolarHBondContact O-CB 3.37Å; K878-L882 PolarHBondContact O-N 3.26Å
879E91.9Very high91.6Very high114 Ų11496.4 Ų96.453%0.53347%0.471SS..Hα-helixtrans-68.3-37168.6-74.5-176.2162.700111.1L875 E876 L882 E883L875-E879 HydrophobicContact CD2-CG 3.98Å; L875-E879 WeakPolarHBondContact CD2-OE1 3.47Å; L875-E879 PolarHBondContact O-N 3.47Å; E876-E879 PolarHBondContact O-N 3.26Å; E879-L882 PolarHBondContact O-N 3.49Å; E879-E883 PolarHBondContact O-N 3.23Å
880A92.4Very high91.7Very high53 Ų5394.2 Ų94.244%0.43847%0.467SS..Hα-helixtrans-64.6-47.8172.200000112.4E876 D877 L882 E883 D884E876-A880 PolarHBondContact O-N 3.44Å; D877-A880 PolarHBondContact O-N 3.4Å; A880-L882 VanDerWaalsContact C-N 3.25Å; A880-L882 PolarHBondContact O-N 3.48Å; A880-E883 PolarHBondContact O-N 3.45Å; A880-D884 PolarHBondContact O-N 2.91Å
881E93.1Very high91.7Very high108 Ų10893.5 Ų93.551%0.50547%0.466SS..Hα-helixtrans-55.9-39.8172-78178.5-150.700112.1D877 K878 D884 A885D877-E881 PolarHBondContact O-N 2.94Å; K878-E881 WeakPolarHBondContact CD-OE2 3.43Å; K878-E881 IonicContact NZ-OE1 2.75Å; K878-E881 PolarHBondContact NZ-OE1 3.17Å; K878-E881 IonicContact NZ-OE2 2.73Å; K878-E881 PolarHBondContact NZ-OE2 2.94Å; E881-D884 PolarHBondContact O-N 3.41Å; E881-A885 WeakPolarHBondContact O-CB 3.4Å; E881-A885 PolarHBondContact O-N 2.98Å
882L91.4Very high91.8Very high92 Ų9291.9 Ų91.948%0.48246%0.462SS..Hα-helixtrans-67.3-41.9178.5-175.671.5000112.2K878 E879 A880 A885 K886K878-L882 VanDerWaalsContact O-CB 3.29Å; K878-L882 WeakPolarHBondContact O-CB 3.37Å; K878-L882 PolarHBondContact O-N 3.26Å; E879-L882 PolarHBondContact O-N 3.49Å; A880-L882 VanDerWaalsContact C-N 3.25Å; A880-L882 PolarHBondContact O-N 3.48Å; L882-A885 PolarHBondContact O-N 2.96Å; L882-K886 HydrophobicContact CG-CD 4.35Å; L882-K886 WeakPolarHBondContact O-CB 3.4Å; L882-K886 WeakPolarHBondContact O-CD 3.36Å; L882-K886 VanDerWaalsContact O-CG 3.26Å; L882-K886 WeakPolarHBondContact O-CG 3.26Å; L882-K886 PolarHBondContact O-N 3.28Å
883E92.5Very high91.9Very high89 Ų8991 Ų9142%0.41646%0.461SS..Hα-helixtrans-68.5-35.4175.5-73-54.8143.700112.6E879 A880 K886 R887E879-E883 PolarHBondContact O-N 3.23Å; A880-E883 PolarHBondContact O-N 3.45Å; E883-K886 WeakPolarHBondContact O-CB 3.4Å; E883-K886 PolarHBondContact O-N 2.98Å; E883-K886 VanDerWaalsContact OE1-CD 3.29Å; E883-K886 WeakPolarHBondContact OE1-CD 3.35Å; E883-K886 IonicContact OE1-NZ 2.73Å; E883-K886 PolarHBondContact OE1-NZ 3.33Å; E883-K886 WeakPolarHBondContact OE2-CD 3.49Å; E883-R887 WeakPolarHBondContact O-CB 3.24Å; E883-R887 WeakPolarHBondContact O-CG 3.26Å; E883-R887 PolarHBondContact O-N 2.96Å
884D93.4Very high91.9Very high80 Ų8091 Ų9143%0.42846%0.46SS..Hα-helixtrans-69.4-38.1172.5-78.4-21.5000112.5A880 E881 K886 R887 V888A880-D884 PolarHBondContact O-N 2.91Å; E881-D884 PolarHBondContact O-N 3.41Å; D884-K886 PolarHBondContact O-N 3.1Å; D884-R887 PolarHBondContact O-N 3Å; D884-R887 IonicContact OD1-CZ 3Å; D884-R887 IonicContact OD1-NE 3.73Å; D884-R887 PolarHBondContact OD1-NE 3.15Å; D884-R887 IonicContact OD1-NH2 3.84Å; D884-R887 PolarHBondContact OD1-NH2 3.48Å; D884-V888 WeakPolarHBondContact O-CG2 3.29Å; D884-V888 PolarHBondContact O-N 3.4Å
885A89.4Confident92Very high58 Ų5892.8 Ų92.848%0.47947%0.466SS..Hα-helixtrans-61.6-41.617000000112.1E881 L882 V888 Y889E881-A885 WeakPolarHBondContact O-CB 3.4Å; E881-A885 PolarHBondContact O-N 2.98Å; L882-A885 PolarHBondContact O-N 2.96Å; A885-V888 PolarHBondContact O-N 3.5Å; A885-Y889 WeakPolarHBondContact O-CB 3.35Å; A885-Y889 PolarHBondContact O-N 2.86Å
886K91.8Very high92.1Very high96 Ų9696.1 Ų96.142%0.41747%0.472SS..Hα-helixtrans-62.7-41173-75.1161.4174.9166.50112L882 E883 D884 Y889 S890L882-K886 HydrophobicContact CG-CD 4.35Å; L882-K886 WeakPolarHBondContact O-CB 3.4Å; L882-K886 WeakPolarHBondContact O-CD 3.36Å; L882-K886 VanDerWaalsContact O-CG 3.26Å; L882-K886 WeakPolarHBondContact O-CG 3.26Å; L882-K886 PolarHBondContact O-N 3.28Å; E883-K886 WeakPolarHBondContact O-CB 3.4Å; E883-K886 PolarHBondContact O-N 2.98Å; E883-K886 VanDerWaalsContact OE1-CD 3.29Å; E883-K886 WeakPolarHBondContact OE1-CD 3.35Å; E883-K886 IonicContact OE1-NZ 2.73Å; E883-K886 PolarHBondContact OE1-NZ 3.33Å; E883-K886 WeakPolarHBondContact OE2-CD 3.49Å; D884-K886 PolarHBondContact O-N 3.1Å; K886-Y889 PolarHBondContact O-N 3.49Å; K886-S890 VanDerWaalsContact O-CB 3.25Å; K886-S890 WeakPolarHBondContact O-CB 3.3Å; K886-S890 PolarHBondContact O-N 3.1Å
887R93.3Very high92.1Very high148 Ų14897.4 Ų97.456%0.55848%0.478SS*.Hα-helixtrans-62.5-50.2175-77.3-169.3-87.7-128.14111.5E883 D884 Y889 S890 D891E883-R887 WeakPolarHBondContact O-CB 3.24Å; E883-R887 WeakPolarHBondContact O-CG 3.26Å; E883-R887 PolarHBondContact O-N 2.96Å; D884-R887 PolarHBondContact O-N 3Å; D884-R887 IonicContact OD1-CZ 3Å; D884-R887 IonicContact OD1-NE 3.73Å; D884-R887 PolarHBondContact OD1-NE 3.15Å; D884-R887 IonicContact OD1-NH2 3.84Å; D884-R887 PolarHBondContact OD1-NH2 3.48Å; R887-Y889 VanDerWaalsContact C-N 3.32Å; R887-Y889 PolarHBondContact O-N 3.15Å; R887-S890 WeakPolarHBondContact O-CB 3.26Å; R887-S890 PolarHBondContact O-N 3.25Å; R887-D891 PolarHBondContact O-N 3.37Å
888V93.4Very high92.2Very high99 Ų9999.2 Ų99.260%0.648%0.484SS*.Hα-helixtrans-61-39.5177.1171.90000111.8D884 A885 S892D884-V888 WeakPolarHBondContact O-CG2 3.29Å; D884-V888 PolarHBondContact O-N 3.4Å; A885-V888 PolarHBondContact O-N 3.5Å; V888-S892 VanDerWaalsContact O-CB 3.26Å; V888-S892 WeakPolarHBondContact O-CB 3.41Å; V888-S892 PolarHBondContact O-N 2.62Å; V888-S892 PolarHBondContact O-OG 2.73Å
889Y89.8Confident92.4Very high168 Ų16898.6 Ų98.666%0.65948%0.481SS*.Hα-helixtrans-65.4-45.6173.4-178.5-95.6000112.2A885 K886 R887 D891 S892 N893A885-Y889 WeakPolarHBondContact O-CB 3.35Å; A885-Y889 PolarHBondContact O-N 2.86Å; K886-Y889 PolarHBondContact O-N 3.49Å; R887-Y889 VanDerWaalsContact C-N 3.32Å; R887-Y889 PolarHBondContact O-N 3.15Å; Y889-D891 PolarHBondContact O-N 2.99Å; Y889-S892 PolarHBondContact O-N 3.43Å; Y889-N893 WeakPolarHBondContact O-CB 3.42Å; Y889-N893 PolarHBondContact O-N 2.81Å
890S93.6Very high92.3Very high54 Ų5495.6 Ų95.638%0.37848%0.476SS..Hα-helixtrans-58.3-48.3177.1-177.60000111.9K886 R887 S892 N893 K894K886-S890 VanDerWaalsContact O-CB 3.25Å; K886-S890 WeakPolarHBondContact O-CB 3.3Å; K886-S890 PolarHBondContact O-N 3.1Å; R887-S890 WeakPolarHBondContact O-CB 3.26Å; R887-S890 PolarHBondContact O-N 3.25Å; S890-S892 VanDerWaalsContact C-N 3.34Å; S890-S892 PolarHBondContact O-N 3.05Å; S890-N893 WeakPolarHBondContact O-CB 3.44Å; S890-N893 PolarHBondContact O-N 2.79Å; S890-K894 WeakPolarHBondContact O-CG 3.35Å; S890-K894 PolarHBondContact O-N 2.93Å
891D92.6Very high92.3Very high72 Ų7298 Ų9839%0.38548%0.478SS..Hα-helixtrans-71.5-29.6179.3-70.3-21.2000112.7R887 Y889 K894 K895R887-D891 PolarHBondContact O-N 3.37Å; Y889-D891 PolarHBondContact O-N 2.99Å; D891-K894 WeakPolarHBondContact OD1-CE 3.34Å; D891-K894 IonicContact OD1-NZ 3.17Å; D891-K894 PolarHBondContact OD1-NZ 2.75Å; D891-K895 WeakPolarHBondContact O-CD 3.28Å; D891-K895 VanDerWaalsContact O-CG 3.26Å; D891-K895 WeakPolarHBondContact O-CG 3.46Å; D891-K895 PolarHBondContact O-N 3.41Å; D891-K895 VanDerWaalsContact O-N 3.11Å
892S89.7Confident92.3Very high49 Ų4997.4 Ų97.434%0.34348%0.478SS..Hα-helixtrans-66.6-41.1169-60.90000111.4V888 Y889 S890 K895 W896V888-S892 VanDerWaalsContact O-CB 3.26Å; V888-S892 WeakPolarHBondContact O-CB 3.41Å; V888-S892 PolarHBondContact O-N 2.62Å; V888-S892 PolarHBondContact O-OG 2.73Å; Y889-S892 PolarHBondContact O-N 3.43Å; S890-S892 VanDerWaalsContact C-N 3.34Å; S890-S892 PolarHBondContact O-N 3.05Å; S892-K895 PolarHBondContact O-N 3.36Å; S892-W896 PolarHBondContact O-N 3.29Å
893N93.3Very high92.4Very high69 Ų6998 Ų9837%0.36948%0.481SS..Hα-helixtrans-66.3-41.3176.8-171.371.3000111.9Y889 S890 K895 W896 Q897Y889-N893 WeakPolarHBondContact O-CB 3.42Å; Y889-N893 PolarHBondContact O-N 2.81Å; S890-N893 WeakPolarHBondContact O-CB 3.44Å; S890-N893 PolarHBondContact O-N 2.79Å; N893-K895 PolarHBondContact O-N 2.94Å; N893-W896 CarbonylContact O-C 3.6Å; N893-W896 PolarHBondContact O-N 2.92Å; N893-W896 VanDerWaalsContact O-N 3.13Å; N893-Q897 PolarHBondContact ND2-OE1 3.26Å; N893-Q897 WeakPolarHBondContact O-CG 3.34Å; N893-Q897 PolarHBondContact O-N 3.37Å
894K93.1Very high92.3Very high97 Ų9798 Ų9842%0.42249%0.487SS..Hα-helixtrans-56.4-49.4170.8-68.4171-161.6161.90111.3S890 D891 W896 Q897 E898S890-K894 WeakPolarHBondContact O-CG 3.35Å; S890-K894 PolarHBondContact O-N 2.93Å; D891-K894 WeakPolarHBondContact OD1-CE 3.34Å; D891-K894 IonicContact OD1-NZ 3.17Å; D891-K894 PolarHBondContact OD1-NZ 2.75Å; K894-W896 PolarHBondContact O-N 3.5Å; K894-Q897 CarbonylContact O-C 3.07Å; K894-Q897 WeakPolarHBondContact O-CA 3.31Å; K894-Q897 WeakPolarHBondContact O-CB 3.5Å; K894-Q897 PolarHBondContact O-N 3.45Å; K894-E898 WeakPolarHBondContact O-CG 3.3Å; K894-E898 PolarHBondContact O-N 2.92Å
895K93.8Very high92.3Very high122 Ų122101 Ų10153%0.5349%0.493SS..Hα-helixtrans-60.6-30.7176.3-71.4165.1-175.1170.10112.9D891 S892 N893 K899D891-K895 WeakPolarHBondContact O-CD 3.28Å; D891-K895 VanDerWaalsContact O-CG 3.26Å; D891-K895 WeakPolarHBondContact O-CG 3.46Å; D891-K895 PolarHBondContact O-N 3.41Å; D891-K895 VanDerWaalsContact O-N 3.11Å; S892-K895 PolarHBondContact O-N 3.36Å; N893-K895 PolarHBondContact O-N 2.94Å; K895-K899 WeakPolarHBondContact O-CB 3.48Å; K895-K899 WeakPolarHBondContact O-CD 3.45Å; K895-K899 VanDerWaalsContact O-CG 3.22Å; K895-K899 WeakPolarHBondContact O-CG 3.48Å; K895-K899 PolarHBondContact O-N 2.86Å; K895-K899 VanDerWaalsContact O-N 3.15Å
896W91.8Very high92.4Very high169 Ų169102.7 Ų102.764%0.6449%0.493SS*.Hα-helixtrans-74.6-37.4171.8-79117.3000112.9S892 N893 K894 K899 A900S892-W896 PolarHBondContact O-N 3.29Å; N893-W896 CarbonylContact O-C 3.6Å; N893-W896 PolarHBondContact O-N 2.92Å; N893-W896 VanDerWaalsContact O-N 3.13Å; K894-W896 PolarHBondContact O-N 3.5Å; W896-K899 HydrophobicContact CE3-CD 3.93Å; W896-K899 HydrophobicContact CZ3-CD 4.1Å; W896-K899 PolarHBondContact O-N 2.89Å; W896-A900 WeakPolarHBondContact O-CB 3.33Å; W896-A900 PolarHBondContact O-N 3.2Å
897Q91.9Very high92.4Very high110 Ų110104.1 Ų104.151%0.51450%0.501SS..Hα-helixtrans-65.3-43.3172.7-69.3176.9-71.900111.7N893 K894 K899 A900 E901N893-Q897 PolarHBondContact ND2-OE1 3.26Å; N893-Q897 WeakPolarHBondContact O-CG 3.34Å; N893-Q897 PolarHBondContact O-N 3.37Å; K894-Q897 CarbonylContact O-C 3.07Å; K894-Q897 WeakPolarHBondContact O-CA 3.31Å; K894-Q897 WeakPolarHBondContact O-CB 3.5Å; K894-Q897 PolarHBondContact O-N 3.45Å; Q897-K899 VanDerWaalsContact C-N 3.34Å; Q897-K899 PolarHBondContact O-N 3.25Å; Q897-A900 PolarHBondContact O-N 3.05Å; Q897-A900 VanDerWaalsContact O-N 3.16Å; Q897-E901 PolarHBondContact O-N 2.98Å
898E93.4Very high92.4Very high115 Ų11599.2 Ų99.254%0.53749%0.489SS..Hα-helixtrans-59-42.5173.3-71.3166.3-178.700112K894 E901 L902K894-E898 WeakPolarHBondContact O-CG 3.3Å; K894-E898 PolarHBondContact O-N 2.92Å; E898-E901 PolarHBondContact O-N 3.49Å; E898-L902 WeakPolarHBondContact O-CB 3.49Å; E898-L902 WeakPolarHBondContact O-CG 3.31Å; E898-L902 PolarHBondContact O-N 3.17Å
899K93.7Very high92.4Very high108 Ų10899.6 Ų99.647%0.4749%0.485SS..Hα-helixtrans-65.2-40.8173.1-76.7171.3-179.1179.90112.5K895 W896 Q897 L902 L903K895-K899 WeakPolarHBondContact O-CB 3.48Å; K895-K899 WeakPolarHBondContact O-CD 3.45Å; K895-K899 VanDerWaalsContact O-CG 3.22Å; K895-K899 WeakPolarHBondContact O-CG 3.48Å; K895-K899 PolarHBondContact O-N 2.86Å; K895-K899 VanDerWaalsContact O-N 3.15Å; W896-K899 HydrophobicContact CE3-CD 3.93Å; W896-K899 HydrophobicContact CZ3-CD 4.1Å; W896-K899 PolarHBondContact O-N 2.89Å; Q897-K899 VanDerWaalsContact C-N 3.34Å; Q897-K899 PolarHBondContact O-N 3.25Å; K899-L902 PolarHBondContact O-N 3.49Å; K899-L903 WeakPolarHBondContact O-CG 3.44Å; K899-L903 PolarHBondContact O-N 2.93Å
900A90.1Very high92.4Very high51 Ų5196.2 Ų96.242%0.42148%0.481SS..Hα-helixtrans-64.9-42.7176.400000111.2W896 Q897 L903 T904W896-A900 WeakPolarHBondContact O-CB 3.33Å; W896-A900 PolarHBondContact O-N 3.2Å; Q897-A900 PolarHBondContact O-N 3.05Å; Q897-A900 VanDerWaalsContact O-N 3.16Å; A900-L903 PolarHBondContact O-N 3.49Å; A900-T904 PolarHBondContact O-N 3.3Å; A900-T904 PolarHBondContact O-OG1 3.32Å
901E92.5Very high92.4Very high104 Ų104100 Ų10049%0.48649%0.491SS..Hα-helixtrans-61.5-42.5171.7-79.3-162.8-140.900112.4Q897 E898 T904 R905Q897-E901 PolarHBondContact O-N 2.98Å; E898-E901 PolarHBondContact O-N 3.49Å; E901-T904 PolarHBondContact O-N 3.48Å; E901-R905 WeakPolarHBondContact O-CB 3.38Å; E901-R905 WeakPolarHBondContact O-CD 3.46Å; E901-R905 WeakPolarHBondContact O-CG 3.45Å; E901-R905 PolarHBondContact O-N 3.07Å; E901-R905 IonicContact OE2-CZ 3.5Å; E901-R905 IonicContact OE2-NE 3.87Å; E901-R905 IonicContact OE2-NH2 3.21Å; E901-R905 PolarHBondContact OE2-NH2 2.75Å
902L94.1Very high92.3Very high96 Ų96103 Ų10350%0.50350%0.497SS..Hα-helixtrans-61.5-43.2174.8-82.4165.4000111.9E898 K899 R905 L906E898-L902 WeakPolarHBondContact O-CB 3.49Å; E898-L902 WeakPolarHBondContact O-CG 3.31Å; E898-L902 PolarHBondContact O-N 3.17Å; K899-L902 PolarHBondContact O-N 3.49Å; L902-R905 PolarHBondContact O-N 2.77Å; L902-L906 WeakPolarHBondContact O-CB 3.35Å; L902-L906 VanDerWaalsContact O-CG 3.29Å; L902-L906 WeakPolarHBondContact O-CG 3.34Å; L902-L906 PolarHBondContact O-N 2.73Å
903L92.4Very high92.3Very high103 Ų103106 Ų10654%0.53951%0.507SS..Hα-helixtrans-60.7-49.6173.1-74.4167.3000111.2K899 A900 R905 L906 E907K899-L903 WeakPolarHBondContact O-CG 3.44Å; K899-L903 PolarHBondContact O-N 2.93Å; A900-L903 PolarHBondContact O-N 3.49Å; L903-R905 VanDerWaalsContact C-N 3.29Å; L903-R905 PolarHBondContact O-N 2.74Å; L903-L906 CarbonylContact O-C 3.45Å; L903-L906 PolarHBondContact O-N 2.96Å; L903-L906 VanDerWaalsContact O-N 3.13Å; L903-E907 WeakPolarHBondContact O-CB 3.43Å; L903-E907 WeakPolarHBondContact O-CG 3.33Å; L903-E907 PolarHBondContact O-N 3.37Å
904T92Very high92.2Very high89 Ų89108.8 Ų108.855%0.54652%0.516SS..Hα-helixtrans-59.7-37.9176.6-54.70000112.3A900 E901 S908A900-T904 PolarHBondContact O-N 3.3Å; A900-T904 PolarHBondContact O-OG1 3.32Å; E901-T904 PolarHBondContact O-N 3.48Å; T904-S908 WeakPolarHBondContact O-CB 3.38Å; T904-S908 PolarHBondContact O-N 3.1Å
905R92.9Very high92.2Very high145 Ų145108.5 Ų108.555%0.54752%0.516SS..Hα-helixtrans-65.5-45174.8-70.6164.9-165.1-160.98.6111E901 L902 L903 S908 Q909E901-R905 WeakPolarHBondContact O-CB 3.38Å; E901-R905 WeakPolarHBondContact O-CD 3.46Å; E901-R905 WeakPolarHBondContact O-CG 3.45Å; E901-R905 PolarHBondContact O-N 3.07Å; E901-R905 IonicContact OE2-CZ 3.5Å; E901-R905 IonicContact OE2-NE 3.87Å; E901-R905 IonicContact OE2-NH2 3.21Å; E901-R905 PolarHBondContact OE2-NH2 2.75Å; L902-R905 PolarHBondContact O-N 2.77Å; L903-R905 VanDerWaalsContact C-N 3.29Å; L903-R905 PolarHBondContact O-N 2.74Å; R905-S908 PolarHBondContact O-N 3.38Å; R905-S908 PolarHBondContact O-OG 3.09Å; R905-Q909 PolarHBondContact O-N 2.89Å
906L91.9Very high92.2Very high93 Ų93107.6 Ų107.649%0.48752%0.517SS..Hα-helixtrans-64.4-45.6176.2-73.5168.2000112.1L902 L903 S908 Q909 V910L902-L906 WeakPolarHBondContact O-CB 3.35Å; L902-L906 VanDerWaalsContact O-CG 3.29Å; L902-L906 WeakPolarHBondContact O-CG 3.34Å; L902-L906 PolarHBondContact O-N 2.73Å; L903-L906 CarbonylContact O-C 3.45Å; L903-L906 PolarHBondContact O-N 2.96Å; L903-L906 VanDerWaalsContact O-N 3.13Å; L906-S908 VanDerWaalsContact C-N 3.29Å; L906-S908 PolarHBondContact O-N 2.9Å; L906-Q909 CarbonylContact O-C 3.54Å; L906-Q909 WeakPolarHBondContact O-CA 3.46Å; L906-Q909 WeakPolarHBondContact O-CB 3.3Å; L906-Q909 PolarHBondContact O-N 3.18Å; L906-V910 WeakPolarHBondContact O-CG2 3.42Å; L906-V910 PolarHBondContact O-N 3.28Å
907E92.1Very high92.2Very high126 Ų126106.2 Ų106.259%0.58952%0.516SS*.Hα-helixtrans-57-42.4172.7-73.6172.7175.800111.3L903 Q909 V910 K911L903-E907 WeakPolarHBondContact O-CB 3.43Å; L903-E907 WeakPolarHBondContact O-CG 3.33Å; L903-E907 PolarHBondContact O-N 3.37Å; E907-Q909 VanDerWaalsContact C-N 3.27Å; E907-Q909 PolarHBondContact O-N 2.96Å; E907-V910 PolarHBondContact O-N 3.32Å; E907-K911 VanDerWaalsContact O-CB 3.26Å; E907-K911 WeakPolarHBondContact O-CB 3.45Å; E907-K911 PolarHBondContact O-N 3.5Å
908S91.8Very high92.2Very high44 Ų44103.7 Ų103.731%0.30851%0.506SS..Hα-helixtrans-65.2-29174.687.10000113.1T904 R905 L906 R912T904-S908 WeakPolarHBondContact O-CB 3.38Å; T904-S908 PolarHBondContact O-N 3.1Å; R905-S908 PolarHBondContact O-N 3.38Å; R905-S908 PolarHBondContact O-OG 3.09Å; L906-S908 VanDerWaalsContact C-N 3.29Å; L906-S908 PolarHBondContact O-N 2.9Å; S908-R912 WeakPolarHBondContact O-CB 3.35Å; S908-R912 WeakPolarHBondContact O-CG 3.21Å; S908-R912 PolarHBondContact O-N 3.34Å; S908-R912 PolarHBondContact O-NE 3.39Å; S908-R912 PolarHBondContact OG-NH2 2.88Å
909Q92.9Very high92.1Very high108 Ų108100.4 Ų100.451%0.50550%0.495SS..Hα-helixtrans-75.9-47.2174.3-98.3-179.7-41.800111R905 L906 E907 K911 R912 M913R905-Q909 PolarHBondContact O-N 2.89Å; L906-Q909 CarbonylContact O-C 3.54Å; L906-Q909 WeakPolarHBondContact O-CA 3.46Å; L906-Q909 WeakPolarHBondContact O-CB 3.3Å; L906-Q909 PolarHBondContact O-N 3.18Å; E907-Q909 VanDerWaalsContact C-N 3.27Å; E907-Q909 PolarHBondContact O-N 2.96Å; Q909-K911 VanDerWaalsContact C-N 3.31Å; Q909-K911 PolarHBondContact O-N 3.48Å; Q909-R912 CarbonylContact O-C 3.52Å; Q909-R912 PolarHBondContact O-N 3.04Å; Q909-M913 WeakPolarHBondContact O-CB 3.24Å; Q909-M913 WeakPolarHBondContact O-CG 3.39Å; Q909-M913 PolarHBondContact O-N 2.93Å
910V91.8Very high91.9Very high97 Ų97101.8 Ų101.859%0.58850%0.501SS*.Hα-helixtrans-59.7-42.4175.6172.70000110.6L906 E907 M913 K914L906-V910 WeakPolarHBondContact O-CG2 3.42Å; L906-V910 PolarHBondContact O-N 3.28Å; E907-V910 PolarHBondContact O-N 3.32Å; V910-M913 PolarHBondContact O-N 2.92Å; V910-K914 WeakPolarHBondContact O-CB 3.43Å; V910-K914 PolarHBondContact O-N 3.19Å
911K92.3Very high92Very high132 Ų132105.1 Ų105.157%0.57451%0.508SS*.Hα-helixtrans-61-48.9174.2-176.5173.9172.8178.10111.8E907 Q909 M913 K914 E915E907-K911 VanDerWaalsContact O-CB 3.26Å; E907-K911 WeakPolarHBondContact O-CB 3.45Å; E907-K911 PolarHBondContact O-N 3.5Å; Q909-K911 VanDerWaalsContact C-N 3.31Å; Q909-K911 PolarHBondContact O-N 3.48Å; K911-M913 VanDerWaalsContact C-N 3.33Å; K911-M913 PolarHBondContact O-N 2.96Å; K911-K914 PolarHBondContact O-N 3.44Å; K911-E915 WeakPolarHBondContact CE-OE1 3.38Å; K911-E915 HydrophobicContact CG-CG 4.45Å; K911-E915 IonicContact NZ-OE1 3.1Å; K911-E915 WeakPolarHBondContact O-CG 3.25Å; K911-E915 PolarHBondContact O-N 3.02Å
912R90.7Very high92Very high135 Ų135106.4 Ų106.451%0.50951%0.508SS..Hα-helixtrans-64.5-33.8175.9-78.6177-74.7165.5-7.7113.1S908 Q909 N916S908-R912 WeakPolarHBondContact O-CB 3.35Å; S908-R912 WeakPolarHBondContact O-CG 3.21Å; S908-R912 PolarHBondContact O-N 3.34Å; S908-R912 PolarHBondContact O-NE 3.39Å; S908-R912 PolarHBondContact OG-NH2 2.88Å; Q909-R912 CarbonylContact O-C 3.52Å; Q909-R912 PolarHBondContact O-N 3.04Å; R912-N916 WeakPolarHBondContact O-CB 3.45Å; R912-N916 PolarHBondContact O-N 2.96Å; R912-N916 VanDerWaalsContact O-N 3.09Å; R912-N916 PolarHBondContact O-ND2 3.33Å
913M89.3Confident91.9Very high114 Ų114106.8 Ų106.856%0.56251%0.51SS*.Hα-helixtrans-65.2-45.5172.2-77.4179.665.200110.4Q909 V910 K911 N916 F917Q909-M913 WeakPolarHBondContact O-CB 3.24Å; Q909-M913 WeakPolarHBondContact O-CG 3.39Å; Q909-M913 PolarHBondContact O-N 2.93Å; V910-M913 PolarHBondContact O-N 2.92Å; K911-M913 VanDerWaalsContact C-N 3.33Å; K911-M913 PolarHBondContact O-N 2.96Å; M913-N916 PolarHBondContact O-N 2.65Å; M913-F917 WeakPolarHBondContact O-CD2 3.5Å; M913-F917 PolarHBondContact O-N 2.63Å
914K92.1Very high91.8Very high127 Ų127107.1 Ų107.155%0.55251%0.512SS*.Hα-helixtrans-61.2-50.3175.5-176.6172.9177.2177.10111.6V910 K911 N916 F917 D918V910-K914 WeakPolarHBondContact O-CB 3.43Å; V910-K914 PolarHBondContact O-N 3.19Å; K911-K914 PolarHBondContact O-N 3.44Å; K914-N916 PolarHBondContact O-N 2.9Å; K914-F917 CarbonylContact O-C 3.57Å; K914-F917 WeakPolarHBondContact O-CA 3.44Å; K914-F917 PolarHBondContact O-N 2.92Å; K914-D918 VanDerWaalsContact CE-OD1 3.3Å; K914-D918 WeakPolarHBondContact CE-OD1 3.35Å; K914-D918 VanDerWaalsContact CE-OD2 3.22Å; K914-D918 WeakPolarHBondContact CE-OD2 3.37Å; K914-D918 VanDerWaalsContact CG-OD1 3.26Å; K914-D918 WeakPolarHBondContact CG-OD1 3.1Å; K914-D918 WeakPolarHBondContact O-CB 3.37Å; K914-D918 PolarHBondContact O-N 3.22Å
915E92.4Very high91.7Very high91 Ų91107 Ų10743%0.42551%0.508SS..Hα-helixtrans-56.9-34.5177.7-71.4165.8162.100112.6K911 S919K911-E915 WeakPolarHBondContact CE-OE1 3.38Å; K911-E915 HydrophobicContact CG-CG 4.45Å; K911-E915 IonicContact NZ-OE1 3.1Å; K911-E915 WeakPolarHBondContact O-CG 3.25Å; K911-E915 PolarHBondContact O-N 3.02Å; E915-S919 VanDerWaalsContact O-CB 3.23Å; E915-S919 WeakPolarHBondContact O-CB 3.48Å; E915-S919 PolarHBondContact O-N 2.69Å; E915-S919 VanDerWaalsContact O-N 3.16Å; E915-S919 PolarHBondContact O-OG 3.19Å
916N93.6Very high91.6Very high102 Ų102104.1 Ų104.155%0.54550%0.5SS..Hα-helixtrans-72.9-38.2171.9-79.1-49.4000113.3R912 M913 K914 K920R912-N916 WeakPolarHBondContact O-CB 3.45Å; R912-N916 PolarHBondContact O-N 2.96Å; R912-N916 VanDerWaalsContact O-N 3.09Å; R912-N916 PolarHBondContact O-ND2 3.33Å; M913-N916 PolarHBondContact O-N 2.65Å; K914-N916 PolarHBondContact O-N 2.9Å; N916-K920 WeakPolarHBondContact O-CB 3.34Å; N916-K920 WeakPolarHBondContact O-CG 3.42Å; N916-K920 PolarHBondContact O-N 3.45Å
917F92.3Very high91.6Very high141 Ų141105.5 Ų105.562%0.61850%0.504SS*.Hα-helixtrans-66.8-53.5174-95-75.5000111.3M913 K914 S919 K920 E921M913-F917 WeakPolarHBondContact O-CD2 3.5Å; M913-F917 PolarHBondContact O-N 2.63Å; K914-F917 CarbonylContact O-C 3.57Å; K914-F917 WeakPolarHBondContact O-CA 3.44Å; K914-F917 PolarHBondContact O-N 2.92Å; F917-S919 PolarHBondContact O-N 2.93Å; F917-S919 VanDerWaalsContact O-N 3.11Å; F917-K920 PolarHBondContact O-N 3.24Å; F917-E921 WeakPolarHBondContact O-CB 3.17Å; F917-E921 PolarHBondContact O-N 2.82Å
918D91.7Very high91.5Very high57 Ų57107.5 Ų107.531%0.30551%0.507SS..Hα-helixtrans-53.9-32.5176.1-62.72.9000111.4K914 R922K914-D918 VanDerWaalsContact CE-OD1 3.3Å; K914-D918 WeakPolarHBondContact CE-OD1 3.35Å; K914-D918 VanDerWaalsContact CE-OD2 3.22Å; K914-D918 WeakPolarHBondContact CE-OD2 3.37Å; K914-D918 VanDerWaalsContact CG-OD1 3.26Å; K914-D918 WeakPolarHBondContact CG-OD1 3.1Å; K914-D918 WeakPolarHBondContact O-CB 3.37Å; K914-D918 PolarHBondContact O-N 3.22Å; D918-R922 WeakPolarHBondContact O-CB 3.38Å; D918-R922 PolarHBondContact O-N 3.28Å; D918-R922 PolarHBondContact O-NH2 3.11Å; D918-R922 VanDerWaalsContact O-NH2 3.16Å
919S91.4Very high91.5Very high45 Ų45111.7 Ų111.732%0.31552%0.521SS..Hα-helixtrans-83.3-34177.2-58.90000113.7E915 F917 R922 L923E915-S919 VanDerWaalsContact O-CB 3.23Å; E915-S919 WeakPolarHBondContact O-CB 3.48Å; E915-S919 PolarHBondContact O-N 2.69Å; E915-S919 VanDerWaalsContact O-N 3.16Å; E915-S919 PolarHBondContact O-OG 3.19Å; F917-S919 PolarHBondContact O-N 2.93Å; F917-S919 VanDerWaalsContact O-N 3.11Å; S919-R922 PolarHBondContact O-N 3.18Å; S919-R922 PolarHBondContact OG-NH1 2.91Å; S919-R922 PolarHBondContact OG-NH2 2.9Å; S919-L923 WeakPolarHBondContact O-CG 3.5Å; S919-L923 PolarHBondContact O-N 2.8Å; S919-L923 VanDerWaalsContact O-N 3.09Å
920K90.4Very high91.4Very high138 Ų138112 Ų11260%0.652%0.521SS*.Hα-helixtrans-66.5-41169.5-78.3178.1177.6-174.70111.8N916 F917 R922 L923 L924N916-K920 WeakPolarHBondContact O-CB 3.34Å; N916-K920 WeakPolarHBondContact O-CG 3.42Å; N916-K920 PolarHBondContact O-N 3.45Å; F917-K920 PolarHBondContact O-N 3.24Å; K920-R922 VanDerWaalsContact C-N 3.33Å; K920-L923 PolarHBondContact O-N 3.06Å; K920-L924 WeakPolarHBondContact O-CB 3.37Å; K920-L924 WeakPolarHBondContact O-CG 3.24Å; K920-L924 PolarHBondContact O-N 3.35Å
921E90.9Very high91.2Very high121 Ų121110.3 Ų110.357%0.56552%0.517SS*.Hα-helixtrans-60-44.6174.1-177.5173.1-141.300110.7F917 L923 L924 L925F917-E921 WeakPolarHBondContact O-CB 3.17Å; F917-E921 PolarHBondContact O-N 2.82Å; E921-L923 PolarHBondContact O-N 2.95Å; E921-L924 PolarHBondContact O-N 3.16Å; E921-L925 HydrophobicContact CG-CD1 4.06Å; E921-L925 HydrophobicContact CG-CG 4.49Å; E921-L925 WeakPolarHBondContact O-CB 3.43Å; E921-L925 VanDerWaalsContact O-CG 3.29Å; E921-L925 WeakPolarHBondContact O-CG 3.44Å; E921-L925 PolarHBondContact O-N 3.47Å
922R92.1Very high91.1Very high131 Ų131106.2 Ų106.249%0.49451%0.505SS..Hα-helixtrans-58.4-45.2174.7-144.9176.8-54.7109.811.4112.6D918 S919 K920 L925 E926D918-R922 WeakPolarHBondContact O-CB 3.38Å; D918-R922 PolarHBondContact O-N 3.28Å; D918-R922 PolarHBondContact O-NH2 3.11Å; D918-R922 VanDerWaalsContact O-NH2 3.16Å; S919-R922 PolarHBondContact O-N 3.18Å; S919-R922 PolarHBondContact OG-NH1 2.91Å; S919-R922 PolarHBondContact OG-NH2 2.9Å; K920-R922 VanDerWaalsContact C-N 3.33Å; R922-L925 PolarHBondContact O-N 3.41Å; R922-E926 PolarHBondContact O-N 2.98Å
923L92.4Very high91.1Very high103 Ų103105.1 Ų105.154%0.53951%0.506SS..Hα-helixtrans-64.1-43.5176.1-71.9169.8000112.3S919 K920 E921 L925 E926 E927S919-L923 WeakPolarHBondContact O-CG 3.5Å; S919-L923 PolarHBondContact O-N 2.8Å; S919-L923 VanDerWaalsContact O-N 3.09Å; K920-L923 PolarHBondContact O-N 3.06Å; E921-L923 PolarHBondContact O-N 2.95Å; L923-L925 VanDerWaalsContact C-N 3.32Å; L923-L925 PolarHBondContact O-N 3.48Å; L923-E926 WeakPolarHBondContact O-CB 3.48Å; L923-E926 PolarHBondContact O-N 3.44Å; L923-E927 WeakPolarHBondContact O-CG 3.48Å; L923-E927 PolarHBondContact O-N 3.36Å
924L90.4Very high91.2Very high111 Ų111102.7 Ų102.758%0.58150%0.504SS*.Hα-helixtrans-65.9-33.8176.6-71.7170.5000112.4K920 E921 R928K920-L924 WeakPolarHBondContact O-CB 3.37Å; K920-L924 WeakPolarHBondContact O-CG 3.24Å; K920-L924 PolarHBondContact O-N 3.35Å; E921-L924 PolarHBondContact O-N 3.16Å; L924-R928 VanDerWaalsContact O-CB 3.22Å; L924-R928 WeakPolarHBondContact O-CB 3.41Å; L924-R928 PolarHBondContact O-N 3Å
925L90.1Very high91Very high86 Ų86102.8 Ų102.845%0.4551%0.506SS..Hα-helixtrans-67.5-45.3172-73.7169.6000111.1E921 R922 L923 E927 R928 E929E921-L925 HydrophobicContact CG-CD1 4.06Å; E921-L925 HydrophobicContact CG-CG 4.49Å; E921-L925 WeakPolarHBondContact O-CB 3.43Å; E921-L925 VanDerWaalsContact O-CG 3.29Å; E921-L925 WeakPolarHBondContact O-CG 3.44Å; E921-L925 PolarHBondContact O-N 3.47Å; R922-L925 PolarHBondContact O-N 3.41Å; L923-L925 VanDerWaalsContact C-N 3.32Å; L923-L925 PolarHBondContact O-N 3.48Å; L925-E927 PolarHBondContact O-N 3.28Å; L925-R928 PolarHBondContact O-N 2.96Å; L925-E929 WeakPolarHBondContact O-CG 3.44Å; L925-E929 PolarHBondContact O-N 3.48Å
926E91.9Very high90.9Very high84 Ų84105.1 Ų105.139%0.39351%0.511SS..Hα-helixtrans-60.5-42.9173.7-80.4-173.6-136.300112.9R922 L923 E929 K930R922-E926 PolarHBondContact O-N 2.98Å; L923-E926 WeakPolarHBondContact O-CB 3.48Å; L923-E926 PolarHBondContact O-N 3.44Å; E926-E929 PolarHBondContact O-N 3.38Å; E926-K930 WeakPolarHBondContact O-CB 3.14Å; E926-K930 VanDerWaalsContact O-CD 3.31Å; E926-K930 WeakPolarHBondContact O-CD 3.36Å; E926-K930 WeakPolarHBondContact O-CG 3.39Å; E926-K930 PolarHBondContact O-N 3.4Å; E926-K930 IonicContact OE2-NZ 3.27Å; E926-K930 PolarHBondContact OE2-NZ 2.88Å
927E90.4Very high90.8Very high122 Ų122102.8 Ų102.857%0.5751%0.506SS*.Hα-helixtrans-64.1-41175.1-75.2-178.3163.300111.3L923 L925 K930 A931L923-E927 WeakPolarHBondContact O-CG 3.48Å; L923-E927 PolarHBondContact O-N 3.36Å; L925-E927 PolarHBondContact O-N 3.28Å; E927-K930 PolarHBondContact O-N 3.08Å; E927-A931 VanDerWaalsContact O-CB 3.26Å; E927-A931 WeakPolarHBondContact O-CB 3.43Å; E927-A931 PolarHBondContact O-N 3.02Å
928R91Very high90.6Very high169 Ų16998.2 Ų98.264%0.63849%0.494SS*.Hα-helixtrans-63.8-39.9174.3177.2176.4173-101.8-2.8112.3L924 L925 S932L924-R928 VanDerWaalsContact O-CB 3.22Å; L924-R928 WeakPolarHBondContact O-CB 3.41Å; L924-R928 PolarHBondContact O-N 3Å; L925-R928 PolarHBondContact O-N 2.96Å; R928-S932 VanDerWaalsContact O-CB 3.31Å; R928-S932 WeakPolarHBondContact O-CB 3.27Å; R928-S932 PolarHBondContact O-N 2.87Å; R928-S932 PolarHBondContact O-OG 3.01Å
929E90.9Very high90.6Very high131 Ų13197.7 Ų97.761%0.61249%0.493SS*.Hα-helixtrans-67.4-49.5174.9-70.1-146.9126.500111L925 E926 A931 S932 E933L925-E929 WeakPolarHBondContact O-CG 3.44Å; L925-E929 PolarHBondContact O-N 3.48Å; E926-E929 PolarHBondContact O-N 3.38Å; E929-A931 VanDerWaalsContact C-N 3.27Å; E929-A931 PolarHBondContact O-N 3.08Å; E929-S932 CarbonylContact O-C 3.6Å; E929-S932 WeakPolarHBondContact O-CA 3.35Å; E929-S932 WeakPolarHBondContact O-CB 3.27Å; E929-S932 PolarHBondContact O-N 3.11Å; E929-E933 WeakPolarHBondContact O-CG 3.44Å; E929-E933 PolarHBondContact O-N 3.06Å
930K92.1Very high90.5Very high114 Ų11499.1 Ų99.150%0.49650%0.497SS..Hα-helixtrans-55.7-40.8175.7-69.8159.8-166162.10111.9E926 E927 A934E926-K930 WeakPolarHBondContact O-CB 3.14Å; E926-K930 VanDerWaalsContact O-CD 3.31Å; E926-K930 WeakPolarHBondContact O-CD 3.36Å; E926-K930 WeakPolarHBondContact O-CG 3.39Å; E926-K930 PolarHBondContact O-N 3.4Å; E926-K930 IonicContact OE2-NZ 3.27Å; E926-K930 PolarHBondContact OE2-NZ 2.88Å; E927-K930 PolarHBondContact O-N 3.08Å; K930-A934 VanDerWaalsContact O-CB 3.31Å; K930-A934 WeakPolarHBondContact O-CB 3.47Å; K930-A934 PolarHBondContact O-N 3.35Å
931A87.9Confident90.5Very high62 Ų6299.8 Ų99.851%0.51250%0.5SS..Hα-helixtrans-67.3-38.3173.800000112.8E927 E929 H935E927-A931 VanDerWaalsContact O-CB 3.26Å; E927-A931 WeakPolarHBondContact O-CB 3.43Å; E927-A931 PolarHBondContact O-N 3.02Å; E929-A931 VanDerWaalsContact C-N 3.27Å; E929-A931 PolarHBondContact O-N 3.08Å; A931-H935 WeakPolarHBondContact O-CB 3.49Å; A931-H935 PolarHBondContact O-N 3.44Å
932S89.9Confident90.5Very high47 Ų4799.2 Ų99.233%0.32950%0.5SS..Hα-helixtrans-69.2-36.6176.8-59.10000112.3R928 E929 R936R928-S932 VanDerWaalsContact O-CB 3.31Å; R928-S932 WeakPolarHBondContact O-CB 3.27Å; R928-S932 PolarHBondContact O-N 2.87Å; R928-S932 PolarHBondContact O-OG 3.01Å; E929-S932 CarbonylContact O-C 3.6Å; E929-S932 WeakPolarHBondContact O-CA 3.35Å; E929-S932 WeakPolarHBondContact O-CB 3.27Å; E929-S932 PolarHBondContact O-N 3.11Å; S932-R936 WeakPolarHBondContact O-CB 3.5Å; S932-R936 PolarHBondContact O-N 2.87Å
933E90.3Very high90.3Very high112 Ų112100 Ų10052%0.52350%0.503SS..Hα-helixtrans-68.7-45.1172.9-69.6-171.6140.300111.7E929 H935 R936 A937E929-E933 WeakPolarHBondContact O-CG 3.44Å; E929-E933 PolarHBondContact O-N 3.06Å; E933-H935 VanDerWaalsContact C-N 3.31Å; E933-H935 PolarHBondContact O-N 3.38Å; E933-R936 PolarHBondContact O-N 3.2Å; E933-A937 WeakPolarHBondContact O-CB 3.4Å; E933-A937 PolarHBondContact O-N 2.81Å
934A90.2Very high90.3Very high63 Ų6398.8 Ų98.852%0.52150%0.503SS..Hα-helixtrans-60.1-40.9174.200000111.8K930 A938K930-A934 VanDerWaalsContact O-CB 3.31Å; K930-A934 WeakPolarHBondContact O-CB 3.47Å; K930-A934 PolarHBondContact O-N 3.35Å; A934-A938 WeakPolarHBondContact O-CB 3.45Å; A934-A938 PolarHBondContact O-N 2.98Å
935H88.8Confident90.3Very high128 Ų12897 Ų9759%0.59350%0.497SS*.Hα-helixtrans-64.6-45.5173.7-179.959.9000112A931 E933 A937 A938 V939A931-H935 WeakPolarHBondContact O-CB 3.49Å; A931-H935 PolarHBondContact O-N 3.44Å; E933-H935 VanDerWaalsContact C-N 3.31Å; E933-H935 PolarHBondContact O-N 3.38Å; H935-A937 PolarHBondContact O-N 2.7Å; H935-A938 WeakPolarHBondContact O-CB 3.35Å; H935-A938 PolarHBondContact O-N 3.07Å; H935-A938 VanDerWaalsContact O-N 3.15Å; H935-V939 WeakPolarHBondContact O-CG2 3.17Å; H935-V939 PolarHBondContact O-N 3.12Å
936R91.1Very high90.3Very high141 Ų14196.8 Ų96.853%0.53250%0.496SS..Hα-helixtrans-59-47.9176.3-166.3-176.2-57.7124.71.9111.3S932 E933 A938 V939 D940S932-R936 WeakPolarHBondContact O-CB 3.5Å; S932-R936 PolarHBondContact O-N 2.87Å; E933-R936 PolarHBondContact O-N 3.2Å; R936-A938 VanDerWaalsContact C-N 3.28Å; R936-A938 PolarHBondContact O-N 3.16Å; R936-V939 PolarHBondContact O-N 2.65Å; R936-V939 VanDerWaalsContact O-N 3.14Å; R936-D940 PolarHBondContact O-N 2.85Å
937A90.5Very high90.1Very high52 Ų5295.5 Ų95.543%0.4349%0.492SS..Hα-helixtrans-64-29.5176.200000113.4E933 H935 K941E933-A937 WeakPolarHBondContact O-CB 3.4Å; E933-A937 PolarHBondContact O-N 2.81Å; H935-A937 PolarHBondContact O-N 2.7Å; A937-K941 WeakPolarHBondContact O-CB 3.43Å; A937-K941 VanDerWaalsContact O-CG 3.28Å; A937-K941 WeakPolarHBondContact O-CG 3.44Å; A937-K941 PolarHBondContact O-N 3.06Å; A937-K941 VanDerWaalsContact O-N 3.12Å
938A89.1Confident90Very high46 Ų4692.2 Ų92.238%0.3849%0.486SS..Hα-helixtrans-72-41.7171.300000112A934 H935 R936 K941 L942A934-A938 WeakPolarHBondContact O-CB 3.45Å; A934-A938 PolarHBondContact O-N 2.98Å; H935-A938 WeakPolarHBondContact O-CB 3.35Å; H935-A938 PolarHBondContact O-N 3.07Å; H935-A938 VanDerWaalsContact O-N 3.15Å; R936-A938 VanDerWaalsContact C-N 3.28Å; R936-A938 PolarHBondContact O-N 3.16Å; A938-K941 PolarHBondContact O-N 2.84Å; A938-L942 WeakPolarHBondContact O-CG 3.35Å; A938-L942 PolarHBondContact O-N 2.74Å
939V90.6Very high89.9Confident46 Ų4690.3 Ų90.328%0.27948%0.482SS..Hα-helixtrans-63.7-41.5174.9169.80000111.5H935 R936 L942 R943H935-V939 WeakPolarHBondContact O-CG2 3.17Å; H935-V939 PolarHBondContact O-N 3.12Å; R936-V939 PolarHBondContact O-N 2.65Å; R936-V939 VanDerWaalsContact O-N 3.14Å; V939-L942 PolarHBondContact O-N 3.02Å; V939-R943 WeakPolarHBondContact O-CG 3.43Å; V939-R943 PolarHBondContact O-N 2.95Å
940D90.3Very high89.8Confident74 Ų7489.8 Ų89.840%0.39648%0.475SS..Hα-helixtrans-72.5-29.3178.5-65.4-35000112.3R936 R943 S944R936-D940 PolarHBondContact O-N 2.85Å; D940-R943 IonicContact OD1-CZ 2.85Å; D940-R943 IonicContact OD1-NH1 3.97Å; D940-R943 PolarHBondContact OD1-NH1 3.31Å; D940-S944 WeakPolarHBondContact O-CB 3.34Å; D940-S944 PolarHBondContact O-N 3.45Å
941K90.7Very high89.6Confident152 Ų15291.7 Ų91.766%0.66148%0.479SS*.Hα-helixtrans-64.8-44.8166-80174.1179.8178.70112.3A937 A938 S944 V945A937-K941 WeakPolarHBondContact O-CB 3.43Å; A937-K941 VanDerWaalsContact O-CG 3.28Å; A937-K941 WeakPolarHBondContact O-CG 3.44Å; A937-K941 PolarHBondContact O-N 3.06Å; A937-K941 VanDerWaalsContact O-N 3.12Å; A938-K941 PolarHBondContact O-N 2.84Å; K941-S944 WeakPolarHBondContact O-CB 3.49Å; K941-S944 PolarHBondContact O-N 2.97Å; K941-V945 WeakPolarHBondContact O-CG2 3.33Å; K941-V945 PolarHBondContact O-N 2.97Å
942L89Confident89.6Confident109 Ų10994.5 Ų94.557%0.57148%0.481SS*.Hα-helixtrans-60.1-47175.8-74.8167.5000111A938 V939 S944 V945 D946A938-L942 WeakPolarHBondContact O-CG 3.35Å; A938-L942 PolarHBondContact O-N 2.74Å; V939-L942 PolarHBondContact O-N 3.02Å; L942-S944 VanDerWaalsContact C-N 3.33Å; L942-S944 PolarHBondContact O-N 3.42Å; L942-V945 CarbonylContact O-C 3.41Å; L942-V945 WeakPolarHBondContact O-CB 3.03Å; L942-V945 PolarHBondContact O-N 3.08Å; L942-V945 VanDerWaalsContact O-N 3.09Å; L942-D946 PolarHBondContact O-N 3.1Å
943R89.4Confident89.6Confident147 Ų14797 Ų9756%0.55549%0.49SS*.Hα-helixtrans-56.8-43.4174.3-73.5166.3166.8175-8.5113V939 D940 V945 D946 D947V939-R943 WeakPolarHBondContact O-CG 3.43Å; V939-R943 PolarHBondContact O-N 2.95Å; D940-R943 IonicContact OD1-CZ 2.85Å; D940-R943 IonicContact OD1-NH1 3.97Å; D940-R943 PolarHBondContact OD1-NH1 3.31Å; R943-V945 VanDerWaalsContact C-N 3.31Å; R943-V945 PolarHBondContact O-N 2.89Å; R943-D946 PolarHBondContact O-N 3.08Å; R943-D947 WeakPolarHBondContact O-CB 3.47Å; R943-D947 PolarHBondContact O-N 2.98Å
944S91.6Very high89.6Confident78 Ų7896.8 Ų96.855%0.54549%0.489SS..Hα-helixtrans-62.1-38.6176.4-172.30000112.1D940 K941 L942 A948D940-S944 WeakPolarHBondContact O-CB 3.34Å; D940-S944 PolarHBondContact O-N 3.45Å; K941-S944 WeakPolarHBondContact O-CB 3.49Å; K941-S944 PolarHBondContact O-N 2.97Å; L942-S944 VanDerWaalsContact C-N 3.33Å; L942-S944 PolarHBondContact O-N 3.42Å; S944-A948 WeakPolarHBondContact O-CB 3.42Å; S944-A948 PolarHBondContact O-N 3.48Å
945V90.3Very high89.6Confident73 Ų7397.4 Ų97.444%0.44249%0.49SS..Hα-helixtrans-69.9-43.3174.5170.20000111.6K941 L942 R943 D947 A948 F949K941-V945 WeakPolarHBondContact O-CG2 3.33Å; K941-V945 PolarHBondContact O-N 2.97Å; L942-V945 CarbonylContact O-C 3.41Å; L942-V945 WeakPolarHBondContact O-CB 3.03Å; L942-V945 PolarHBondContact O-N 3.08Å; L942-V945 VanDerWaalsContact O-N 3.09Å; R943-V945 VanDerWaalsContact C-N 3.31Å; R943-V945 PolarHBondContact O-N 2.89Å; V945-D947 PolarHBondContact O-N 2.7Å; V945-A948 WeakPolarHBondContact O-CB 3.5Å; V945-A948 PolarHBondContact O-N 2.99Å; V945-A948 VanDerWaalsContact O-N 3.16Å; V945-F949 HydrophobicContact CG1-CD2 3.64Å; V945-F949 HydrophobicContact CG1-CE2 3.47Å; V945-F949 VanDerWaalsContact CG1-CE2 3.47Å; V945-F949 VanDerWaalsContact O-CD2 3.31Å; V945-F949 WeakPolarHBondContact O-CD2 3.42Å; V945-F949 PolarHBondContact O-N 2.85Å
946D89.4Confident89.6Confident83 Ų8395.6 Ų95.644%0.44449%0.488SS..Hα-helixtrans-64.3-38.4176.2-69.8-24.4000112.2L942 R943 R950L942-D946 PolarHBondContact O-N 3.1Å; R943-D946 PolarHBondContact O-N 3.08Å; D946-R950 WeakPolarHBondContact O-CB 3.1Å; D946-R950 PolarHBondContact O-N 3.18Å
947D89.2Confident89.4Confident57 Ų5793.8 Ų93.831%0.30549%0.485SS..Hα-helixtrans-69.9-31.7173.4-78.7-3000111.7R943 V945 R950 R951R943-D947 WeakPolarHBondContact O-CB 3.47Å; R943-D947 PolarHBondContact O-N 2.98Å; V945-D947 PolarHBondContact O-N 2.7Å; D947-R950 IonicContact OD1-CZ 2.59Å; D947-R950 IonicContact OD1-NH1 3.2Å; D947-R950 PolarHBondContact OD1-NH1 2.92Å; D947-R950 IonicContact OD1-NH2 3.64Å; D947-R950 PolarHBondContact OD1-NH2 3.18Å; D947-R951 VanDerWaalsContact C-NH1 3.33Å; D947-R951 WeakPolarHBondContact O-CG 3.39Å; D947-R951 PolarHBondContact O-N 3.31Å; D947-R951 VanDerWaalsContact O-N 3.11Å; D947-R951 PolarHBondContact O-NH1 3.46Å
948A87.9Confident89.3Confident53 Ų5394 Ų9444%0.43849%0.487SS..Hα-helixtrans-69.9-44.3172.200000111.2S944 V945 R951 Q952S944-A948 WeakPolarHBondContact O-CB 3.42Å; S944-A948 PolarHBondContact O-N 3.48Å; V945-A948 WeakPolarHBondContact O-CB 3.5Å; V945-A948 PolarHBondContact O-N 2.99Å; V945-A948 VanDerWaalsContact O-N 3.16Å; A948-R951 PolarHBondContact O-N 3.47Å; A948-Q952 WeakPolarHBondContact O-CB 3.48Å; A948-Q952 PolarHBondContact O-N 3.27Å
949F88.1Confident89.2Confident128 Ų12894.8 Ų94.856%0.56149%0.494SS*.Hα-helixtrans-62.4-40173.4-82-58000112.5V945 Q952 L953V945-F949 HydrophobicContact CG1-CD2 3.64Å; V945-F949 HydrophobicContact CG1-CE2 3.47Å; V945-F949 VanDerWaalsContact CG1-CE2 3.47Å; V945-F949 VanDerWaalsContact O-CD2 3.31Å; V945-F949 WeakPolarHBondContact O-CD2 3.42Å; V945-F949 PolarHBondContact O-N 2.85Å; F949-Q952 PolarHBondContact O-N 2.95Å; F949-L953 WeakPolarHBondContact O-CB 3.45Å; F949-L953 PolarHBondContact O-N 2.88Å
950R89.4Confident89.1Confident121 Ų12197.3 Ų97.346%0.45750%0.502SS..Hα-helixtrans-61.9-48.6173.8-100.2176.5-77.71157.7112D946 D947 Q952 L953 E954D946-R950 WeakPolarHBondContact O-CB 3.1Å; D946-R950 PolarHBondContact O-N 3.18Å; D947-R950 IonicContact OD1-CZ 2.59Å; D947-R950 IonicContact OD1-NH1 3.2Å; D947-R950 PolarHBondContact OD1-NH1 2.92Å; D947-R950 IonicContact OD1-NH2 3.64Å; D947-R950 PolarHBondContact OD1-NH2 3.18Å; R950-Q952 VanDerWaalsContact C-N 3.29Å; R950-Q952 PolarHBondContact O-N 3.21Å; R950-L953 PolarHBondContact O-N 3.17Å; R950-L953 VanDerWaalsContact O-N 3.16Å; R950-E954 WeakPolarHBondContact O-CB 3.43Å; R950-E954 VanDerWaalsContact O-CG 3.23Å; R950-E954 WeakPolarHBondContact O-CG 3.47Å; R950-E954 PolarHBondContact O-N 3.15Å
951R88.1Confident89Confident153 Ų15399.9 Ų99.958%0.57751%0.512SS*.Hα-helixtrans-60.6-36.3174.6-70-179.4-161.496.2-0.8113D947 A948 S955D947-R951 VanDerWaalsContact C-NH1 3.33Å; D947-R951 WeakPolarHBondContact O-CG 3.39Å; D947-R951 PolarHBondContact O-N 3.31Å; D947-R951 VanDerWaalsContact O-N 3.11Å; D947-R951 PolarHBondContact O-NH1 3.46Å; A948-R951 PolarHBondContact O-N 3.47Å; R951-S955 VanDerWaalsContact O-CB 3.24Å; R951-S955 WeakPolarHBondContact O-CB 3.45Å; R951-S955 PolarHBondContact O-N 3Å
952Q87.8Confident88.8Confident121 Ų12195.4 Ų95.457%0.56550%0.503SS*.Hα-helixtrans-67.8-42.3175.4-173.2177.60.600111.6A948 F949 R950 S955 V956A948-Q952 WeakPolarHBondContact O-CB 3.48Å; A948-Q952 PolarHBondContact O-N 3.27Å; F949-Q952 PolarHBondContact O-N 2.95Å; R950-Q952 VanDerWaalsContact C-N 3.29Å; R950-Q952 PolarHBondContact O-N 3.21Å; Q952-S955 PolarHBondContact O-N 2.68Å; Q952-V956 WeakPolarHBondContact O-CG2 3.43Å; Q952-V956 PolarHBondContact O-N 3.37Å
953L89.6Confident88.7Confident99 Ų9995.2 Ų95.252%0.51850%0.499SS..Hα-helixtrans-65.1-45.4176.6-176.466000111.6F949 R950 S955 V956 Q957F949-L953 WeakPolarHBondContact O-CB 3.45Å; F949-L953 PolarHBondContact O-N 2.88Å; R950-L953 PolarHBondContact O-N 3.17Å; R950-L953 VanDerWaalsContact O-N 3.16Å; L953-S955 VanDerWaalsContact C-N 3.33Å; L953-S955 PolarHBondContact O-N 3.19Å; L953-V956 PolarHBondContact O-N 2.88Å; L953-Q957 WeakPolarHBondContact O-CB 3.44Å; L953-Q957 VanDerWaalsContact O-CG 3.28Å; L953-Q957 WeakPolarHBondContact O-CG 3.46Å; L953-Q957 PolarHBondContact O-N 3.41Å
954E89.8Confident88.6Confident108 Ų10892.6 Ų92.651%0.50550%0.496SS..Hα-helixtrans-58.2-43.6173.8-72.1159.7-169.500111.3R950 Q957 A958R950-E954 WeakPolarHBondContact O-CB 3.43Å; R950-E954 VanDerWaalsContact O-CG 3.23Å; R950-E954 WeakPolarHBondContact O-CG 3.47Å; R950-E954 PolarHBondContact O-N 3.15Å; E954-Q957 PolarHBondContact O-N 3.25Å; E954-A958 WeakPolarHBondContact O-CB 3.35Å; E954-A958 PolarHBondContact O-N 3.04Å
955S90.3Very high88.5Confident77 Ų7794.3 Ų94.354%0.53850%0.498SS..Hα-helixtrans-63.2-45175.9-176.50000112.6R951 Q952 L953 A958 A959R951-S955 VanDerWaalsContact O-CB 3.24Å; R951-S955 WeakPolarHBondContact O-CB 3.45Å; R951-S955 PolarHBondContact O-N 3Å; Q952-S955 PolarHBondContact O-N 2.68Å; L953-S955 VanDerWaalsContact C-N 3.33Å; L953-S955 PolarHBondContact O-N 3.19Å; S955-A958 PolarHBondContact O-N 3.46Å; S955-A959 WeakPolarHBondContact O-CB 3.48Å; S955-A959 PolarHBondContact O-N 3.48Å
956V89.2Confident88.3Confident89 Ų8996.3 Ų96.354%0.53950%0.503SS..Hα-helixtrans-65.5-40176.2170.10000111.5Q952 L953 A959 H960Q952-V956 WeakPolarHBondContact O-CG2 3.43Å; Q952-V956 PolarHBondContact O-N 3.37Å; L953-V956 PolarHBondContact O-N 2.88Å; V956-A959 PolarHBondContact O-N 3.41Å; V956-H960 WeakPolarHBondContact O-CB 3.4Å; V956-H960 PolarHBondContact O-N 3.4Å
957Q87.9Confident88.2Confident104 Ų10496.9 Ų96.949%0.48651%0.505SS..Hα-helixtrans-64.8-42.7175-74.3175.8-0.400111.8L953 E954 H960 Q961L953-Q957 WeakPolarHBondContact O-CB 3.44Å; L953-Q957 VanDerWaalsContact O-CG 3.28Å; L953-Q957 WeakPolarHBondContact O-CG 3.46Å; L953-Q957 PolarHBondContact O-N 3.41Å; E954-Q957 PolarHBondContact O-N 3.25Å; Q957-H960 PolarHBondContact O-N 3.49Å; Q957-Q961 WeakPolarHBondContact O-CB 3.45Å; Q957-Q961 WeakPolarHBondContact O-CG 3.47Å; Q957-Q961 PolarHBondContact O-N 2.76Å
958A87.4Confident88.1Confident57 Ų5797.4 Ų97.447%0.47151%0.514SS..Hα-helixtrans-64.6-41.4175.800000112.2E954 S955 Q961 A962E954-A958 WeakPolarHBondContact O-CB 3.35Å; E954-A958 PolarHBondContact O-N 3.04Å; S955-A958 PolarHBondContact O-N 3.46Å; A958-Q961 PolarHBondContact O-N 3.47Å; A958-A962 PolarHBondContact O-N 3.38Å
959A87.3Confident88.1Confident62 Ų62100.1 Ų100.151%0.51252%0.521SS..Hα-helixtrans-61.7-45.1175.100000111.9S955 V956 A962 E963S955-A959 WeakPolarHBondContact O-CB 3.48Å; S955-A959 PolarHBondContact O-N 3.48Å; V956-A959 PolarHBondContact O-N 3.41Å; A959-A962 WeakPolarHBondContact O-CB 3.21Å; A959-A962 PolarHBondContact O-N 2.83Å; A959-E963 PolarHBondContact O-N 3.26Å
960H88.1Confident88Confident99 Ų9998 Ų9846%0.45851%0.513SS..Hα-helixtrans-69.4-33.1177.6-171.852.8000112.8V956 Q957 E963 L964V956-H960 WeakPolarHBondContact O-CB 3.4Å; V956-H960 PolarHBondContact O-N 3.4Å; Q957-H960 PolarHBondContact O-N 3.49Å; H960-E963 IonicContact CE1-OE2 2.65Å; H960-E963 IonicContact CG-OE2 3.32Å; H960-E963 IonicContact ND1-OE2 3.87Å; H960-E963 PolarHBondContact ND1-OE2 3.35Å; H960-E963 PolarHBondContact O-N 3.39Å; H960-L964 WeakPolarHBondContact O-CB 3.44Å; H960-L964 VanDerWaalsContact O-CG 3.29Å; H960-L964 WeakPolarHBondContact O-CG 3.47Å; H960-L964 PolarHBondContact O-N 3.48Å
961Q87.8Confident87.9Confident128 Ų12899 Ų9960%0.59852%0.52SS*.Hα-helixtrans-64.5-39170.3-75.8178.28.100112.2Q957 A958 L964 L965Q957-Q961 WeakPolarHBondContact O-CB 3.45Å; Q957-Q961 WeakPolarHBondContact O-CG 3.47Å; Q957-Q961 PolarHBondContact O-N 2.76Å; A958-Q961 PolarHBondContact O-N 3.47Å; Q961-L964 PolarHBondContact O-N 3.09Å; Q961-L965 WeakPolarHBondContact O-CG 3.27Å; Q961-L965 PolarHBondContact O-N 2.89Å
962A86.4Confident87.8Confident58 Ų5896 Ų9648%0.47951%0.513SS..Hα-helixtrans-65.8-40.7174.400000112.2A958 A959 L965 Q966A958-A962 PolarHBondContact O-N 3.38Å; A959-A962 WeakPolarHBondContact O-CB 3.21Å; A959-A962 PolarHBondContact O-N 2.83Å; A962-L965 PolarHBondContact O-N 3Å; A962-Q966 PolarHBondContact O-N 2.87Å
963E87.8Confident87.7Confident105 Ų10596.3 Ų96.349%0.49151%0.512SS..Hα-helixtrans-61.3-45.8173.5-178.4-178.6-13600111.9A959 H960 L965 Q966 L967A959-E963 PolarHBondContact O-N 3.26Å; H960-E963 IonicContact CE1-OE2 2.65Å; H960-E963 IonicContact CG-OE2 3.32Å; H960-E963 IonicContact ND1-OE2 3.87Å; H960-E963 PolarHBondContact ND1-OE2 3.35Å; H960-E963 PolarHBondContact O-N 3.39Å; E963-L965 VanDerWaalsContact C-N 3.33Å; E963-L965 PolarHBondContact O-N 2.96Å; E963-Q966 PolarHBondContact O-N 3.39Å; E963-L967 HydrophobicContact CG-CD1 4.26Å; E963-L967 WeakPolarHBondContact O-CG 3.43Å; E963-L967 PolarHBondContact O-N 2.87Å
964L87.3Confident87.5Confident91 Ų9197.3 Ų97.348%0.47651%0.514SS..Hα-helixtrans-62-37.8174.8-73.2169.6000112.5H960 Q961 S968H960-L964 WeakPolarHBondContact O-CB 3.44Å; H960-L964 VanDerWaalsContact O-CG 3.29Å; H960-L964 WeakPolarHBondContact O-CG 3.47Å; H960-L964 PolarHBondContact O-N 3.48Å; Q961-L964 PolarHBondContact O-N 3.09Å; L964-S968 WeakPolarHBondContact O-CB 3.48Å; L964-S968 PolarHBondContact O-N 3.02Å
965L89Confident87.3Confident114 Ų11495.5 Ų95.560%0.59751%0.507SS*.Hα-helixtrans-67.1-39.9173.5-74.8168.4000111.9Q961 A962 E963 S968 N969Q961-L965 WeakPolarHBondContact O-CG 3.27Å; Q961-L965 PolarHBondContact O-N 2.89Å; A962-L965 PolarHBondContact O-N 3Å; E963-L965 VanDerWaalsContact C-N 3.33Å; E963-L965 PolarHBondContact O-N 2.96Å; L965-S968 WeakPolarHBondContact O-CB 3.37Å; L965-S968 PolarHBondContact O-N 3.36Å; L965-N969 VanDerWaalsContact O-CG 3.25Å; L965-N969 PolarHBondContact O-N 3.46Å; L965-N969 PolarHBondContact O-ND2 3.23Å
966Q87.6Confident87Confident115 Ų11596.5 Ų96.554%0.53750%0.503SS..Hα-helixtrans-62.7-49.7174.6-177.7179.2-25.800111.2A962 E963 S968 N969 E970A962-Q966 PolarHBondContact O-N 2.87Å; E963-Q966 PolarHBondContact O-N 3.39Å; Q966-S968 VanDerWaalsContact C-N 3.26Å; Q966-S968 PolarHBondContact O-N 3.3Å; Q966-N969 WeakPolarHBondContact O-CB 3.42Å; Q966-N969 PolarHBondContact O-N 2.91Å; Q966-N969 VanDerWaalsContact O-N 3.08Å; Q966-E970 HydrophobicContact CG-CG 4.47Å; Q966-E970 WeakPolarHBondContact CG-OE1 3.35Å; Q966-E970 PolarHBondContact NE2-OE1 3.49Å; Q966-E970 WeakPolarHBondContact O-CG 3.43Å; Q966-E970 PolarHBondContact O-N 2.88Å
967L86.8Confident86.8Confident95 Ų9596.7 Ų96.750%0.49750%0.498SS..Hα-helixtrans-60.6-35.1176.8-70.5169.8000112.3E963 K971E963-L967 HydrophobicContact CG-CD1 4.26Å; E963-L967 WeakPolarHBondContact O-CG 3.43Å; E963-L967 PolarHBondContact O-N 2.87Å; L967-K971 VanDerWaalsContact O-CB 3.27Å; L967-K971 WeakPolarHBondContact O-CB 3.43Å; L967-K971 PolarHBondContact O-N 3.27Å
968S86.8Confident86.6Confident69 Ų6994 Ų9448%0.48349%0.494SS..Hα-helixtrans-64.5-43.8172.9-166.50000112L964 L965 Q966 K971 Q972L964-S968 WeakPolarHBondContact O-CB 3.48Å; L964-S968 PolarHBondContact O-N 3.02Å; L965-S968 WeakPolarHBondContact O-CB 3.37Å; L965-S968 PolarHBondContact O-N 3.36Å; Q966-S968 VanDerWaalsContact C-N 3.26Å; Q966-S968 PolarHBondContact O-N 3.3Å; S968-K971 PolarHBondContact O-N 3.48Å; S968-Q972 WeakPolarHBondContact O-CB 3.2Å; S968-Q972 PolarHBondContact O-N 2.98Å
969N87.2Confident86.4Confident110 Ų11096.1 Ų96.159%0.58850%0.497SS*.Hα-helixtrans-67.7-38.6176.9-68.6-23000112.4L965 Q966 Q972 K973L965-N969 VanDerWaalsContact O-CG 3.25Å; L965-N969 PolarHBondContact O-N 3.46Å; L965-N969 PolarHBondContact O-ND2 3.23Å; Q966-N969 WeakPolarHBondContact O-CB 3.42Å; Q966-N969 PolarHBondContact O-N 2.91Å; Q966-N969 VanDerWaalsContact O-N 3.08Å; N969-Q972 PolarHBondContact O-N 3.3Å; N969-K973 WeakPolarHBondContact O-CB 3.24Å; N969-K973 PolarHBondContact O-N 3.41Å
970E87.3Confident86.3Confident83 Ų8398.3 Ų98.339%0.38850%0.5SS..Hα-helixtrans-66.3-42.7175-72.6174-171.900111.5Q966 Q972 K973 H974Q966-E970 HydrophobicContact CG-CG 4.47Å; Q966-E970 WeakPolarHBondContact CG-OE1 3.35Å; Q966-E970 PolarHBondContact NE2-OE1 3.49Å; Q966-E970 WeakPolarHBondContact O-CG 3.43Å; Q966-E970 PolarHBondContact O-N 2.88Å; E970-Q972 PolarHBondContact O-N 3.41Å; E970-K973 PolarHBondContact O-N 2.85Å; E970-H974 PolarHBondContact O-CD2 2.96Å; E970-H974 VanDerWaalsContact O-CD2 3.29Å; E970-H974 PolarHBondContact O-N 3.21Å
971K86.1Confident86.1Confident142 Ų142100.2 Ų100.262%0.61751%0.507SS*.Hα-helixtrans-58.6-46.1170.7178.2-172173.2-171.60111.8L967 S968 H974 I975L967-K971 VanDerWaalsContact O-CB 3.27Å; L967-K971 WeakPolarHBondContact O-CB 3.43Å; L967-K971 PolarHBondContact O-N 3.27Å; S968-K971 PolarHBondContact O-N 3.48Å; K971-H974 PolarHBondContact O-N 3.07Å; K971-I975 HydrophobicContact CG-CD1 4.18Å; K971-I975 WeakPolarHBondContact O-CG1 3.44Å; K971-I975 PolarHBondContact O-N 2.7Å
972Q86.8Confident85.9Confident90 Ų9097.9 Ų97.942%0.42150%0.501SS..Hα-helixtrans-61.5-44.4178.6178.257.428.100111.4S968 N969 E970 H974 I975 E976S968-Q972 WeakPolarHBondContact O-CB 3.2Å; S968-Q972 PolarHBondContact O-N 2.98Å; N969-Q972 PolarHBondContact O-N 3.3Å; E970-Q972 PolarHBondContact O-N 3.41Å; Q972-H974 VanDerWaalsContact C-N 3.3Å; Q972-H974 PolarHBondContact O-N 2.88Å; Q972-I975 WeakPolarHBondContact O-CB 3.31Å; Q972-I975 PolarHBondContact O-N 2.84Å; Q972-I975 VanDerWaalsContact O-N 3.1Å; Q972-E976 WeakPolarHBondContact CG-OE1 3.32Å; Q972-E976 PolarHBondContact NE2-OE1 3.08Å; Q972-E976 WeakPolarHBondContact O-CG 3.44Å; Q972-E976 PolarHBondContact O-N 3.02Å
973K85.4Confident85.8Confident128 Ų128100.6 Ų100.656%0.55750%0.5SS*.Hα-helixtrans-60.6-36.4174.2-174.1177.7-178.8179.70112.7N969 E970 E976 Q977N969-K973 WeakPolarHBondContact O-CB 3.24Å; N969-K973 PolarHBondContact O-N 3.41Å; E970-K973 PolarHBondContact O-N 2.85Å; K973-E976 PolarHBondContact O-N 3.39Å; K973-Q977 WeakPolarHBondContact O-CB 3.48Å; K973-Q977 VanDerWaalsContact O-CG 3.28Å; K973-Q977 WeakPolarHBondContact O-CG 3.46Å; K973-Q977 PolarHBondContact O-N 2.91Å
974H85.7Confident85.6Confident120 Ų120100.9 Ų100.956%0.55650%0.501SS*.Hα-helixtrans-71-33.4173.3-74.3-44.8000113.3E970 K971 Q972 Q977 A978E970-H974 PolarHBondContact O-CD2 2.96Å; E970-H974 VanDerWaalsContact O-CD2 3.29Å; E970-H974 PolarHBondContact O-N 3.21Å; K971-H974 PolarHBondContact O-N 3.07Å; Q972-H974 VanDerWaalsContact C-N 3.3Å; Q972-H974 PolarHBondContact O-N 2.88Å; H974-Q977 PolarHBondContact ND1-OE1 3.11Å; H974-Q977 PolarHBondContact O-N 3.48Å; H974-A978 WeakPolarHBondContact O-CB 3.46Å; H974-A978 PolarHBondContact O-N 3.14Å
975I84.3Confident85.3Confident70 Ų70100.7 Ų100.736%0.35950%0.504SS..Hα-helixtrans-64.7-43.6171-68.7164.6000110.1K971 Q972 A978 N979K971-I975 HydrophobicContact CG-CD1 4.18Å; K971-I975 WeakPolarHBondContact O-CG1 3.44Å; K971-I975 PolarHBondContact O-N 2.7Å; Q972-I975 WeakPolarHBondContact O-CB 3.31Å; Q972-I975 PolarHBondContact O-N 2.84Å; Q972-I975 VanDerWaalsContact O-N 3.1Å; I975-A978 PolarHBondContact O-N 2.97Å; I975-N979 WeakPolarHBondContact O-CB 3.39Å; I975-N979 PolarHBondContact O-N 3.09Å; I975-N979 PolarHBondContact O-ND2 3.42Å; I975-N979 PolarHBondContact O-OD1 3.29Å
976E85.1Confident84.9Confident98 Ų9899.4 Ų99.446%0.45850%0.495SS..Hα-helixtrans-62.7-42.4175.8-72.2161.3-16900112.1Q972 K973 A978 N979 L980Q972-E976 WeakPolarHBondContact CG-OE1 3.32Å; Q972-E976 PolarHBondContact NE2-OE1 3.08Å; Q972-E976 WeakPolarHBondContact O-CG 3.44Å; Q972-E976 PolarHBondContact O-N 3.02Å; K973-E976 PolarHBondContact O-N 3.39Å; E976-A978 VanDerWaalsContact C-N 3.34Å; E976-A978 PolarHBondContact O-N 3.02Å; E976-N979 PolarHBondContact O-N 3.01Å; E976-L980 WeakPolarHBondContact O-CG 3.34Å; E976-L980 PolarHBondContact O-N 3.4Å
977Q85.6Confident84.6Confident92 Ų9298 Ų9843%0.4349%0.488SS..Hα-helixtrans-63.5-35.3172.4-74.7174.3-18.700113.4K973 H974 K981K973-Q977 WeakPolarHBondContact O-CB 3.48Å; K973-Q977 VanDerWaalsContact O-CG 3.28Å; K973-Q977 WeakPolarHBondContact O-CG 3.46Å; K973-Q977 PolarHBondContact O-N 2.91Å; H974-Q977 PolarHBondContact ND1-OE1 3.11Å; H974-Q977 PolarHBondContact O-N 3.48Å; Q977-K981 WeakPolarHBondContact O-CG 3.38Å; Q977-K981 PolarHBondContact O-N 2.66Å
978A82.3Confident84.3Confident49 Ų4999.2 Ų99.241%0.40549%0.491SS..Hα-helixtrans-70.7-42.9175.100000111.3H974 I975 E976 L980 K981 V982H974-A978 WeakPolarHBondContact O-CB 3.46Å; H974-A978 PolarHBondContact O-N 3.14Å; I975-A978 PolarHBondContact O-N 2.97Å; E976-A978 VanDerWaalsContact C-N 3.34Å; E976-A978 PolarHBondContact O-N 3.02Å; A978-L980 VanDerWaalsContact C-N 3.34Å; A978-L980 PolarHBondContact O-N 3Å; A978-K981 PolarHBondContact O-N 3.09Å; A978-V982 WeakPolarHBondContact O-CG2 3.49Å; A978-V982 PolarHBondContact O-N 3.35Å
979N83.9Confident83.7Confident100 Ų100101.2 Ų101.254%0.53549%0.494SS..Hα-helixtrans-64.4-37.3177.6-68.8-12.6000112.1I975 E976 V982 Y983I975-N979 WeakPolarHBondContact O-CB 3.39Å; I975-N979 PolarHBondContact O-N 3.09Å; I975-N979 PolarHBondContact O-ND2 3.42Å; I975-N979 PolarHBondContact O-OD1 3.29Å; E976-N979 PolarHBondContact O-N 3.01Å; N979-V982 PolarHBondContact O-N 3.5Å; N979-Y983 PolarHBondContact O-N 2.95Å
980L86Confident83.3Confident108 Ų108102.2 Ų102.257%0.56549%0.49SS*.Hα-helixtrans-60-44.4171.9-78.8165.7000111.7E976 A978 V982 Y983 E984E976-L980 WeakPolarHBondContact O-CG 3.34Å; E976-L980 PolarHBondContact O-N 3.4Å; A978-L980 VanDerWaalsContact C-N 3.34Å; A978-L980 PolarHBondContact O-N 3Å; L980-V982 PolarHBondContact O-N 3.04Å; L980-Y983 WeakPolarHBondContact O-CB 3.27Å; L980-Y983 PolarHBondContact O-N 3.27Å; L980-E984 WeakPolarHBondContact O-CG 3.46Å; L980-E984 PolarHBondContact O-N 3.18Å
981K83.9Confident82.8Confident139 Ų139103.9 Ų103.960%0.60450%0.498SS*.Hα-helixtrans-66.5-34175.5-71.2179.5176-172.70113.6Q977 A978 Y983 V985Q977-K981 WeakPolarHBondContact O-CG 3.38Å; Q977-K981 PolarHBondContact O-N 2.66Å; A978-K981 PolarHBondContact O-N 3.09Å; K981-Y983 VanDerWaalsContact C-N 3.34Å; K981-V985 WeakPolarHBondContact O-CG2 3.35Å; K981-V985 PolarHBondContact O-N 2.83Å
982V82.4Confident82.3Confident79 Ų79102 Ų10248%0.47949%0.493SS..Hα-helixtrans-65.9-40.5172.2172.30000110.3A978 N979 L980 V985 E986A978-V982 WeakPolarHBondContact O-CG2 3.49Å; A978-V982 PolarHBondContact O-N 3.35Å; N979-V982 PolarHBondContact O-N 3.5Å; L980-V982 PolarHBondContact O-N 3.04Å; V982-V985 PolarHBondContact O-N 3.45Å; V982-E986 WeakPolarHBondContact O-CB 3.43Å; V982-E986 PolarHBondContact O-N 2.81Å
983Y84.3Confident81.8Confident115 Ų115102.6 Ų102.645%0.45150%0.499SS..Hα-helixtrans-63-45.8174.2-177.2-82.5000112N979 L980 K981 V985 E986 E987N979-Y983 PolarHBondContact O-N 2.95Å; L980-Y983 WeakPolarHBondContact O-CB 3.27Å; L980-Y983 PolarHBondContact O-N 3.27Å; K981-Y983 VanDerWaalsContact C-N 3.34Å; Y983-V985 VanDerWaalsContact C-N 3.35Å; Y983-V985 PolarHBondContact O-N 3.32Å; Y983-E986 PolarHBondContact O-N 2.82Å; Y983-E987 WeakPolarHBondContact CE1-OE2 3.38Å; Y983-E987 WeakPolarHBondContact O-CB 3.3Å; Y983-E987 PolarHBondContact O-N 3.12Å; Y983-E987 PolarHBondContact OH-OE1 3.05Å
984E83.2Confident81.4Confident112 Ų112103.7 Ų103.752%0.52351%0.506SS..Hα-helixtrans-55-48.2174.2-71.2166.4167.500111.2L980 E987 E988L980-E984 WeakPolarHBondContact O-CG 3.46Å; L980-E984 PolarHBondContact O-N 3.18Å; E984-E987 PolarHBondContact O-N 3.05Å; E984-E988 PolarHBondContact O-N 3.39Å
985V82.3Confident80.9Confident87 Ų87103.7 Ų103.753%0.52751%0.506SS..Hα-helixtrans-69-34.7178.3171.40000112.7K981 V982 Y983 E987 M989K981-V985 WeakPolarHBondContact O-CG2 3.35Å; K981-V985 PolarHBondContact O-N 2.83Å; V982-V985 PolarHBondContact O-N 3.45Å; Y983-V985 VanDerWaalsContact C-N 3.35Å; Y983-V985 PolarHBondContact O-N 3.32Å; V985-E987 VanDerWaalsContact C-N 3.3Å; V985-M989 VanDerWaalsContact O-CB 3.3Å; V985-M989 WeakPolarHBondContact O-CB 3.45Å; V985-M989 PolarHBondContact O-N 3.01Å
986E80.3Confident80.4Confident87 Ų87104.3 Ų104.341%0.40751%0.514SS..Hα-helixtrans-64.3-35.9171.1-83.6-168.1-159.200112V982 Y983 M989 R990V982-E986 WeakPolarHBondContact O-CB 3.43Å; V982-E986 PolarHBondContact O-N 2.81Å; Y983-E986 PolarHBondContact O-N 2.82Å; E986-M989 PolarHBondContact O-N 3.22Å; E986-R990 VanDerWaalsContact O-CG 3.29Å; E986-R990 WeakPolarHBondContact O-CG 3.28Å; E986-R990 PolarHBondContact O-N 3.26Å; E986-R990 IonicContact OE2-NH2 3.83Å; E986-R990 PolarHBondContact OE2-NH2 3.15Å
987E81.1Confident79.9Confident84 Ų84104.7 Ų104.739%0.39352%0.516SS..Hα-helixtrans-74.3-39.9179.6-160.2154.4-115.500111.4Y983 E984 V985 M989 R990 Q991Y983-E987 WeakPolarHBondContact CE1-OE2 3.38Å; Y983-E987 WeakPolarHBondContact O-CB 3.3Å; Y983-E987 PolarHBondContact O-N 3.12Å; Y983-E987 PolarHBondContact OH-OE1 3.05Å; E984-E987 PolarHBondContact O-N 3.05Å; V985-E987 VanDerWaalsContact C-N 3.3Å; E987-M989 VanDerWaalsContact C-N 3.35Å; E987-R990 PolarHBondContact O-N 3.24Å; E987-Q991 WeakPolarHBondContact O-CG 3.48Å; E987-Q991 PolarHBondContact O-N 3.46Å; E987-Q991 VanDerWaalsContact O-N 3.14Å
988E81.1Confident79.3Confident122 Ų122102.9 Ų102.957%0.5752%0.516SS*.Hα-helixtrans-58.2-44.1166.2-71.7-176.5162.400111.9E984 R990 Q991 L992E984-E988 PolarHBondContact O-N 3.39Å; E988-R990 VanDerWaalsContact C-N 3.32Å; E988-R990 PolarHBondContact O-N 3.38Å; E988-Q991 PolarHBondContact O-N 3.28Å; E988-L992 PolarHBondContact O-N 3.34Å
989M73.4Confident78.8Confident111 Ų111105.8 Ų105.855%0.54753%0.525SS..Hα-helixtrans-68.6-29.8-180-164.3177.470.800112.5V985 E986 E987 L993V985-M989 VanDerWaalsContact O-CB 3.3Å; V985-M989 WeakPolarHBondContact O-CB 3.45Å; V985-M989 PolarHBondContact O-N 3.01Å; E986-M989 PolarHBondContact O-N 3.22Å; E987-M989 VanDerWaalsContact C-N 3.35Å; M989-L993 VanDerWaalsContact O-CG 3.32Å; M989-L993 WeakPolarHBondContact O-CG 3.25Å; M989-L993 PolarHBondContact O-N 2.91Å; M989-L993 VanDerWaalsContact O-N 3.08Å
990R79.1Confident78.3Confident131 Ų131107 Ų10749%0.49453%0.525SS..Hα-helixtrans-66.3-42.9170.2-73.4170.7-156.9-170.69.4111.7E986 E987 E988 L992 L993 E994E986-R990 VanDerWaalsContact O-CG 3.29Å; E986-R990 WeakPolarHBondContact O-CG 3.28Å; E986-R990 PolarHBondContact O-N 3.26Å; E986-R990 IonicContact OE2-NH2 3.83Å; E986-R990 PolarHBondContact OE2-NH2 3.15Å; E987-R990 PolarHBondContact O-N 3.24Å; E988-R990 VanDerWaalsContact C-N 3.32Å; E988-R990 PolarHBondContact O-N 3.38Å; R990-L992 VanDerWaalsContact C-N 3.35Å; R990-L992 PolarHBondContact O-N 2.92Å; R990-L993 WeakPolarHBondContact O-CB 3.5Å; R990-L993 PolarHBondContact O-N 3.47Å; R990-L993 VanDerWaalsContact O-N 3.1Å; R990-E994 PolarHBondContact O-N 3.39Å
991Q76.1Confident77.5Confident118 Ų118107.5 Ų107.555%0.55152%0.523SS*.Hα-helixtrans-60.9-43.4176.3-67.3171.832.700111.3E987 E988 L993 E994 E995E987-Q991 WeakPolarHBondContact O-CG 3.48Å; E987-Q991 PolarHBondContact O-N 3.46Å; E987-Q991 VanDerWaalsContact O-N 3.14Å; E988-Q991 PolarHBondContact O-N 3.28Å; Q991-L993 VanDerWaalsContact C-N 3.29Å; Q991-L993 PolarHBondContact O-N 3.01Å; Q991-E994 PolarHBondContact O-N 2.88Å; Q991-E995 PolarHBondContact O-N 3.29Å
992L76.5Confident77Confident101 Ų101104.5 Ų104.553%0.52952%0.516SS..Hα-helixtrans-62.4-32.1173.3-75.8166.9000113.5E988 R990 T996E988-L992 PolarHBondContact O-N 3.34Å; R990-L992 VanDerWaalsContact C-N 3.35Å; R990-L992 PolarHBondContact O-N 2.92Å; L992-T996 WeakPolarHBondContact O-CB 3.5Å; L992-T996 WeakPolarHBondContact O-CG2 3.48Å; L992-T996 PolarHBondContact O-N 3.47Å; L992-T996 PolarHBondContact O-OG1 3.41Å
993L76.6Confident76.1Confident104 Ų104106.9 Ų106.955%0.54552%0.524SS..Hα-helixtrans-72.2-38.4174.2-74.1168.1000112.1M989 R990 Q991 T996 E997M989-L993 VanDerWaalsContact O-CG 3.32Å; M989-L993 WeakPolarHBondContact O-CG 3.25Å; M989-L993 PolarHBondContact O-N 2.91Å; M989-L993 VanDerWaalsContact O-N 3.08Å; R990-L993 WeakPolarHBondContact O-CB 3.5Å; R990-L993 PolarHBondContact O-N 3.47Å; R990-L993 VanDerWaalsContact O-N 3.1Å; Q991-L993 VanDerWaalsContact C-N 3.29Å; Q991-L993 PolarHBondContact O-N 3.01Å; L993-T996 WeakPolarHBondContact CA-OG1 3.44Å; L993-T996 PolarHBondContact O-N 2.6Å; L993-T996 PolarHBondContact O-OG1 3.06Å; L993-T996 VanDerWaalsContact O-OG1 3.13Å; L993-E997 PolarHBondContact O-N 2.87Å
994E75.8Confident75.4Confident150 Ų150105.9 Ų105.970%0.70152%0.523SS*.Hα-helixtrans-65.5-42.2171.9-68.4-168.1142.600112R990 Q991 T996 E997 A998R990-E994 PolarHBondContact O-N 3.39Å; Q991-E994 PolarHBondContact O-N 2.88Å; E994-T996 PolarHBondContact O-N 3.29Å; E994-E997 PolarHBondContact O-N 2.82Å; E994-A998 WeakPolarHBondContact O-CB 3.47Å; E994-A998 PolarHBondContact O-N 3.09Å
995E75.3Confident74.6Confident120 Ų120105.6 Ų105.656%0.56152%0.522SS*.Hα-helixtrans-62.3-40.6174.5-74.5-161.8146.100112.5Q991 A998 N999Q991-E995 PolarHBondContact O-N 3.29Å; E995-A998 PolarHBondContact O-N 2.96Å; E995-N999 WeakPolarHBondContact O-CB 3.43Å; E995-N999 PolarHBondContact O-N 3.18Å; E995-N999 PolarHBondContact O-ND2 3.42Å
996T75Confident73.8Confident84 Ų84107.9 Ų107.952%0.51553%0.525SS..Hα-helixtrans-72.1-33.5177.8490000112.5L992 L993 E994 N999 K1000L992-T996 WeakPolarHBondContact O-CB 3.5Å; L992-T996 WeakPolarHBondContact O-CG2 3.48Å; L992-T996 PolarHBondContact O-N 3.47Å; L992-T996 PolarHBondContact O-OG1 3.41Å; L993-T996 WeakPolarHBondContact CA-OG1 3.44Å; L993-T996 PolarHBondContact O-N 2.6Å; L993-T996 PolarHBondContact O-OG1 3.06Å; L993-T996 VanDerWaalsContact O-OG1 3.13Å; E994-T996 PolarHBondContact O-N 3.29Å; T996-N999 PolarHBondContact O-N 3.41Å; T996-K1000 WeakPolarHBondContact O-CB 3.4Å; T996-K1000 PolarHBondContact O-N 3.31Å
997E73.9Confident72.9Confident106 Ų106109.5 Ų109.550%0.49553%0.534SS..Hα-helixtrans-68.9-38.8171.6-157-166.2119.300112.2L993 E994 K1000 K1001L993-E997 PolarHBondContact O-N 2.87Å; E994-E997 PolarHBondContact O-N 2.82Å; E997-K1000 WeakPolarHBondContact O-CB 3.3Å; E997-K1000 PolarHBondContact O-N 3.05Å; E997-K1001 PolarHBondContact O-N 3.27Å; E997-K1001 WeakPolarHBondContact OE1-CE 3.48Å; E997-K1001 IonicContact OE1-NZ 3.03Å; E997-K1001 PolarHBondContact OE1-NZ 2.8Å
998A72.6Confident72Confident54 Ų54112.5 Ų112.545%0.44655%0.545SS..Hα-helixtrans-60.9-46.5173.100000111.6E994 E995 K1000 K1001 V1002E994-A998 WeakPolarHBondContact O-CB 3.47Å; E994-A998 PolarHBondContact O-N 3.09Å; E995-A998 PolarHBondContact O-N 2.96Å; A998-K1000 VanDerWaalsContact C-N 3.33Å; A998-K1000 PolarHBondContact O-N 2.92Å; A998-K1001 PolarHBondContact O-N 3.3Å; A998-V1002 WeakPolarHBondContact O-CG2 3.45Å; A998-V1002 PolarHBondContact O-N 3.29Å; A998-V1002 VanDerWaalsContact O-N 3.12Å
999N72.3Confident71.1Confident109 Ų109114.8 Ų114.858%0.58355%0.549SS*.Hα-helixtrans-61.8-38.2174.7-82.3-68.6000112.5E995 T996 V1002 M1003E995-N999 WeakPolarHBondContact O-CB 3.43Å; E995-N999 PolarHBondContact O-N 3.18Å; E995-N999 PolarHBondContact O-ND2 3.42Å; T996-N999 PolarHBondContact O-N 3.41Å; N999-V1002 PolarHBondContact O-N 2.83Å; N999-M1003 PolarHBondContact O-N 3.09Å
1000K72.6Confident70.3Confident126 Ų126115.2 Ų115.255%0.54855%0.552SS.*Hα-helixtrans-61.3-46.6174.3-175.6-174.2173.2-162.80111.9T996 E997 A998 V1002 M1003 E1004T996-K1000 WeakPolarHBondContact O-CB 3.4Å; T996-K1000 PolarHBondContact O-N 3.31Å; E997-K1000 WeakPolarHBondContact O-CB 3.3Å; E997-K1000 PolarHBondContact O-N 3.05Å; A998-K1000 VanDerWaalsContact C-N 3.33Å; A998-K1000 PolarHBondContact O-N 2.92Å; K1000-V1002 VanDerWaalsContact C-N 3.32Å; K1000-V1002 PolarHBondContact O-N 2.9Å; K1000-M1003 WeakPolarHBondContact O-CA 3.39Å; K1000-M1003 WeakPolarHBondContact O-CB 3.41Å; K1000-M1003 PolarHBondContact O-N 2.97Å; K1000-E1004 WeakPolarHBondContact CE-OE1 3.25Å; K1000-E1004 IonicContact NZ-OE1 2.74Å; K1000-E1004 PolarHBondContact O-N 3.27Å
1001K70.4Confident69.4Low119 Ų119113 Ų11352%0.51755%0.554SS.*Hα-helixtrans-58-42.6176.1-76.2161.5169.1160.80111.9E997 A998 M1003 E1004 E1005E997-K1001 PolarHBondContact O-N 3.27Å; E997-K1001 WeakPolarHBondContact OE1-CE 3.48Å; E997-K1001 IonicContact OE1-NZ 3.03Å; E997-K1001 PolarHBondContact OE1-NZ 2.8Å; A998-K1001 PolarHBondContact O-N 3.3Å; K1001-M1003 VanDerWaalsContact C-N 3.29Å; K1001-M1003 PolarHBondContact O-N 3.06Å; K1001-E1004 PolarHBondContact O-N 3.17Å; K1001-E1005 PolarHBondContact O-N 3.02Å; K1001-E1005 VanDerWaalsContact O-N 3.08Å
1002V72.9Confident68.6Low76 Ų76112.9 Ų112.946%0.46156%0.557SS.*Hα-helixtrans-63-33174.2172.40000112.4A998 N999 K1000 K1006A998-V1002 WeakPolarHBondContact O-CG2 3.45Å; A998-V1002 PolarHBondContact O-N 3.29Å; A998-V1002 VanDerWaalsContact O-N 3.12Å; N999-V1002 PolarHBondContact O-N 2.83Å; K1000-V1002 VanDerWaalsContact C-N 3.32Å; K1000-V1002 PolarHBondContact O-N 2.9Å; V1002-K1006 WeakPolarHBondContact O-CG 3.49Å; V1002-K1006 PolarHBondContact O-N 3.29Å
1003M64.1Low67.8Low129 Ų129113.1 Ų113.164%0.63556%0.562SS**Hα-helixtrans-76.3-36.3176.9-164.7164.9-176.900112.7N999 K1000 K1001 K1006 M1007N999-M1003 PolarHBondContact O-N 3.09Å; K1000-M1003 WeakPolarHBondContact O-CA 3.39Å; K1000-M1003 WeakPolarHBondContact O-CB 3.41Å; K1000-M1003 PolarHBondContact O-N 2.97Å; K1001-M1003 VanDerWaalsContact C-N 3.29Å; K1001-M1003 PolarHBondContact O-N 3.06Å; M1003-K1006 PolarHBondContact O-N 3.46Å; M1003-M1007 PolarHBondContact O-N 3.14Å
1004E67.9Low67Low94 Ų94115.5 Ų115.544%0.43958%0.575SS.*Hα-helixtrans-65.5-37.3173.4-71.5179.8-175.900112.2K1000 K1001 M1007 K1008K1000-E1004 WeakPolarHBondContact CE-OE1 3.25Å; K1000-E1004 IonicContact NZ-OE1 2.74Å; K1000-E1004 PolarHBondContact O-N 3.27Å; K1001-E1004 PolarHBondContact O-N 3.17Å; E1004-M1007 PolarHBondContact O-N 2.75Å; E1004-K1008 PolarHBondContact O-N 2.74Å
1005E67.4Low66.1Low106 Ų106116.3 Ų116.350%0.49558%0.576SS.*Hα-helixtrans-61.3-42.1169.7-78.2-150.3170.200112.9K1001 M1007 K1008 R1009K1001-E1005 PolarHBondContact O-N 3.02Å; K1001-E1005 VanDerWaalsContact O-N 3.08Å; E1005-M1007 VanDerWaalsContact C-N 3.34Å; E1005-M1007 PolarHBondContact O-N 3.18Å; E1005-K1008 PolarHBondContact O-N 3.1Å; E1005-R1009 WeakPolarHBondContact O-CG 3.41Å; E1005-R1009 PolarHBondContact O-N 3.39Å; E1005-R1009 VanDerWaalsContact O-N 3.09Å; E1005-R1009 IonicContact OE2-NH2 3.18Å; E1005-R1009 PolarHBondContact OE2-NH2 3.27Å
1006K65.9Low65.2Low135 Ų135116.7 Ų116.759%0.58758%0.582SS**Hα-helixtrans-63.8-39.2178-74.2170.7-179.1174.40111.4V1002 M1003 R1009 L1010V1002-K1006 WeakPolarHBondContact O-CG 3.49Å; V1002-K1006 PolarHBondContact O-N 3.29Å; M1003-K1006 PolarHBondContact O-N 3.46Å; K1006-R1009 PolarHBondContact O-N 3.08Å; K1006-L1010 PolarHBondContact O-N 3.43Å
1007M60.6Low64Low120 Ų120122 Ų12259%0.59160%0.598SS**Hα-helixtrans-65-43172.3-80.2-150.8-8400112.6M1003 E1004 E1005 R1009 L1010 T1011M1003-M1007 PolarHBondContact O-N 3.14Å; E1004-M1007 PolarHBondContact O-N 2.75Å; E1005-M1007 VanDerWaalsContact C-N 3.34Å; E1005-M1007 PolarHBondContact O-N 3.18Å; M1007-R1009 VanDerWaalsContact C-N 3.27Å; M1007-R1009 PolarHBondContact O-N 3.43Å; M1007-L1010 WeakPolarHBondContact O-CB 3.42Å; M1007-L1010 PolarHBondContact O-N 3.21Å; M1007-T1011 PolarHBondContact O-N 3.31Å; M1007-T1011 PolarHBondContact O-OG1 3.4Å
1008K62.6Low62.9Low147 Ų147124.3 Ų124.364%0.63961%0.614SS**Hα-helixtrans-56.3-39174.8-80175.9176.2169.70112.9E1004 E1005 T1011 N1012E1004-K1008 PolarHBondContact O-N 2.74Å; E1005-K1008 PolarHBondContact O-N 3.1Å; K1008-T1011 PolarHBondContact O-N 2.69Å; K1008-N1012 PolarHBondContact O-N 2.95Å
1009R61.3Low61.2Low171 Ų171130.5 Ų130.565%0.64565%0.646SS**Hα-helixtrans-66.3-35.6176-65.4178.7-157.8-1536.7112.3E1005 K1006 M1007E1005-R1009 WeakPolarHBondContact O-CG 3.41Å; E1005-R1009 PolarHBondContact O-N 3.39Å; E1005-R1009 VanDerWaalsContact O-N 3.09Å; E1005-R1009 IonicContact OE2-NH2 3.18Å; E1005-R1009 PolarHBondContact OE2-NH2 3.27Å; K1006-R1009 PolarHBondContact O-N 3.08Å; M1007-R1009 VanDerWaalsContact C-N 3.27Å; M1007-R1009 PolarHBondContact O-N 3.43Å
1010L58.1Low60.7Low119 Ų119131.6 Ų131.662%0.62365%0.649SS**Hα-helixtrans-72-36.4173.4-77.2163.2000113K1006 M1007 N1012 V1013K1006-L1010 PolarHBondContact O-N 3.43Å; M1007-L1010 WeakPolarHBondContact O-CB 3.42Å; M1007-L1010 PolarHBondContact O-N 3.21Å; L1010-N1012 VanDerWaalsContact C-N 3.3Å; L1010-N1012 PolarHBondContact O-N 3.48Å; L1010-V1013 PolarHBondContact O-N 3Å
1011T59.8Low60Low85 Ų85131.8 Ų131.852%0.52166%0.655SS.*Hα-helixtrans-63.6-33.8178.5-47.80000112.6M1007 K1008 L1014M1007-T1011 PolarHBondContact O-N 3.31Å; M1007-T1011 PolarHBondContact O-OG1 3.4Å; K1008-T1011 PolarHBondContact O-N 2.69Å; T1011-L1014 PolarHBondContact O-N 3.15Å
1012N59Low59.5Low116 Ų116132.6 Ų132.662%0.6266%0.662SS**Hα-helixtrans-69.4-30.8177.8-76.35.1000113.2K1008 L1010 L1014K1008-N1012 PolarHBondContact O-N 2.95Å; L1010-N1012 VanDerWaalsContact C-N 3.3Å; L1010-N1012 PolarHBondContact O-N 3.48Å; N1012-L1014 PolarHBondContact O-N 3.13Å
1013V60.2Low58.7Low105 Ų105135.9 Ų135.964%0.63667%0.674SS**Hα-helixtrans-70-21179.2177.70000112.3L1010L1010-V1013 PolarHBondContact O-N 3Å
1014L58.3Low58.3Low154 Ų154136.3 Ų136.381%0.80668%0.677SS**THydrogen-bonded Turntrans-95.111.4-176.9-74.5167.6000114.5T1011 N1012T1011-L1014 PolarHBondContact O-N 3.15Å; N1012-L1014 PolarHBondContact O-N 3.13Å
1015K58.5Low57.7Low168 Ų168139.1 Ų139.173%0.7369%0.692SS**SBendtrans-107.7-20.2176.9-88.9-171.3170.1-175.60115.8
1016D55Low57Low127 Ų127141.5 Ų141.568%0.67971%0.707SS**SBendtrans-90.5-14.2-171.6-66-8.6000113.5N1018 T1019D1016-N1018 PolarHBondContact O-N 3.06Å; D1016-T1019 PolarHBondContact O-N 3.4Å; D1016-T1019 VanDerWaalsContact O-N 3.09Å
1017F50.7Low56.3Low196 Ų196142 Ų14286%0.8672%0.716SS**THydrogen-bonded Turntrans-74.643.7171-102.2-70.9000113.8
1018N49.9Very low55.9Low154 Ų154143.8 Ų143.882%0.82473%0.726SS**THydrogen-bonded Turntrans-133.122.3155.5-155.432.2000112.6D1016D1016-N1018 PolarHBondContact O-N 3.06Å
1019T38Very low55.3Low184 Ų184143.5 Ų143.5100%1.12973%0.734SS**  -141.70120.853.40000109.9D1016D1016-T1019 PolarHBondContact O-N 3.4Å; D1016-T1019 VanDerWaalsContact O-N 3.09Å

Retrieved 1,019 of 1,019 residues in 951.4 ms (Link to these results)

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