A0A087X6C2_POEFO Loading...

Prefoldin subunit 2

Binds specifically to cytosolic chaperonin (c-CPN) and transfers target proteins to it. Binds to nascent polypeptide chain and promotes folding in an environment in which there are many competing pathways for nonnative proteins.

AlphaFold DB (A0A3B3TRC2), UniProt , Accession A0A087X6C2, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 162 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
1M39Very low40Very low250 Ų250130.8 Ų130.8100%1.23283%0.831SS**  01200-63.2176.3168.300106.6
2A40.5Very low39.5Very low94 Ų94131.6 Ų131.678%0.77783%0.834SS**  cis-157.2121.6-7.400000104
3A44Very low39Very low100 Ų100129.3 Ų129.383%0.82682%0.824SS**  38112.4106.400000116.3
4N42.4Very low39.4Very low155 Ų155128.9 Ų128.983%0.82983%0.827SS**  -158.2109.3124.4-150.131.1000113.3
5S46.3Very low39Very low88 Ų88127.3 Ų127.362%0.61582%0.821SS**  trans-45.9164.4142.5410000112.3
6S40.3Very low39.4Very low101 Ų101124.7 Ų124.771%0.70683%0.825SS**  cis179.9163.58.933.70000107.8
7S38Very low39.1Very low102 Ų102121.6 Ų121.671%0.71382%0.82SS**  trans69.1119149.973.30000119.9
8T36Very low38.8Very low139 Ų139119.2 Ų119.285%0.85382%0.819SS**  -168.1129.899.534.30000109.5
9G41.6Very low38.9Very low85 Ų85116.9 Ų116.988%0.87682%0.817SS**  trans-76.6143.617000000110.7
10S34.7Very low39.2Very low115 Ų115120.9 Ų120.980%0.80482%0.819SS**  trans-128.2120.8155.251.10000108.1T12S10-T12 PolarHBondContact O-N 3.36Å
11K37.1Very low39.8Very low210 Ų210124.5 Ų124.591%0.91382%0.824SS**  trans-58.9118.6178-71.6168.4171.6175.70108.8S13K11-S13 PolarHBondContact O-N 3.16Å
12T33.8Very low41Very low140 Ų140117.8 Ų117.886%0.85980%0.802SS**  trans-67.8102.8161-51.50000107.3S10 S14S10-T12 PolarHBondContact O-N 3.36Å; T12-S14 PolarHBondContact O-N 3.45Å
13S34.1Very low42.7Very low102 Ų102116.1 Ų116.171%0.71379%0.793SS**  trans-63111.6170.2380000109.3K11 S15K11-S13 PolarHBondContact O-N 3.16Å; S13-S15 PolarHBondContact O-N 2.74Å; S13-S15 VanDerWaalsContact O-N 3.17Å
14S44Very low44.7Very low123 Ų123114 Ų11486%0.8677%0.771SS**  trans-60.4108.3154.844.10000109T12T12-S14 PolarHBondContact O-N 3.45Å
15S34.2Very low47Very low106 Ų106109.1 Ų109.174%0.74175%0.749SS**  trans-146.699.8159.2130.50000103.7S13S13-S15 PolarHBondContact O-N 2.74Å; S13-S15 VanDerWaalsContact O-N 3.17Å
16G45.4Very low49Very low85 Ų85107.8 Ų107.888%0.87674%0.743SS**  76.845.957.900000110.1
17G33Very low51.4Low73 Ų73110.7 Ų110.775%0.75375%0.746SS**  trans-11189171.300000109.4G19G17-G19 PolarHBondContact O-N 2.55Å
18G34.6Very low54Low77 Ų77111.1 Ų111.179%0.79474%0.737SS**  trans-55.3119.9177.800000111.1K20G18-K20 PolarHBondContact O-N 3.46Å
19G39.5Very low56.7Low76 Ų76104.7 Ų104.778%0.78470%0.697SS**  trans-60.199.8168.200000109G17 Q21G17-G19 PolarHBondContact O-N 2.55Å; G19-Q21 PolarHBondContact O-N 3.18Å; G19-Q21 VanDerWaalsContact O-N 3.07Å
20K46.1Very low59.1Low196 Ų196101.8 Ų101.885%0.85266%0.662SS**  trans-66.6106.2162.3-154170.8-174.2-178.80104.5G18 S22G18-K20 PolarHBondContact O-N 3.46Å; K20-S22 PolarHBondContact O-N 3.09Å
21Q51.1Low61.9Low197 Ų19799 Ų9992%0.92165%0.646SS**  trans-59.490.6169.8-73-179.2-56.200107G19 G23G19-Q21 PolarHBondContact O-N 3.18Å; G19-Q21 VanDerWaalsContact O-N 3.07Å; Q21-G23 PolarHBondContact O-N 3.01Å
22S63.8Low64.7Low110 Ų11090.7 Ų90.777%0.76961%0.613SS**  trans-66.6115.6170.149.20000106K20K20-S22 PolarHBondContact O-N 3.09Å
23G77.8Confident67.6Low58 Ų5884.3 Ų84.360%0.59857%0.574SS**PPolyproline II helixtrans-54.5168.3171.400000111.8Q21Q21-G23 PolarHBondContact O-N 3.01Å
24P84.8Confident70.5Confident57 Ų5784.2 Ų84.237%0.3756%0.562SS.*PPolyproline II helixtrans-55.3143.6179.724.3-33.4000111Q28 V29 Y125P24-Q28 HydrophobicContact CB-CB 4.15Å; P24-V29 HydrophobicContact CB-CG2 4.07Å; P24-V29 HydrophobicContact CG-CG2 3.86Å; P24-Y125 HydrophobicContact CG-CE1 3.96Å; P24-Y125 WeakPolarHBondContact CG-OH 3.41Å
25S91.8Very high73Confident52 Ų5285.4 Ų85.436%0.36455%0.547SS..PPolyproline II helixtrans-64.6158176.174.30000111E27 Q28 V29S25-E27 PolarHBondContact O-N 3.44Å; S25-Q28 WeakPolarHBondContact O-CB 3.26Å; S25-Q28 PolarHBondContact O-N 3.26Å; S25-Q28 VanDerWaalsContact OG-CG 3.28Å; S25-Q28 WeakPolarHBondContact OG-CG 3.34Å; S25-Q28 PolarHBondContact OG-N 2.98Å; S25-V29 WeakPolarHBondContact O-CG2 3.34Å; S25-V29 PolarHBondContact O-N 3Å
26A88.4Confident76Confident59 Ų5981 Ų8149%0.48852%0.515SS..Hα-helixtrans-55.1-40177.500000112.2V29 V30 V161A26-V29 PolarHBondContact O-N 3.21Å; A26-V30 WeakPolarHBondContact O-CG2 3.46Å; A26-V30 PolarHBondContact O-N 2.89Å; A26-V161 HydrophobicContact CB-CB 4.29Å; A26-V161 HydrophobicContact CB-CG1 4.27Å
27E90.1Very high78.4Confident162 Ų16279.8 Ų79.876%0.75748%0.484SS*.Hα-helixtrans-63-42.3174.9-65.4178.2173.700112.3S25 V29 V30 A31S25-E27 PolarHBondContact O-N 3.44Å; E27-V29 VanDerWaalsContact C-N 3.33Å; E27-V29 PolarHBondContact O-N 3Å; E27-V30 PolarHBondContact O-N 2.93Å; E27-A31 VanDerWaalsContact O-CB 3.3Å; E27-A31 WeakPolarHBondContact O-CB 3.39Å; E27-A31 PolarHBondContact O-N 3.39Å
28Q92.5Very high81.4Confident112 Ų11280.7 Ų80.752%0.52347%0.469SS..Hα-helixtrans-65.5-37.4176.9-73.7172.4-22.100112.1P24 S25 T32P24-Q28 HydrophobicContact CB-CB 4.15Å; S25-Q28 WeakPolarHBondContact O-CB 3.26Å; S25-Q28 PolarHBondContact O-N 3.26Å; S25-Q28 VanDerWaalsContact OG-CG 3.28Å; S25-Q28 WeakPolarHBondContact OG-CG 3.34Å; S25-Q28 PolarHBondContact OG-N 2.98Å; Q28-T32 VanDerWaalsContact O-CB 3.32Å; Q28-T32 WeakPolarHBondContact O-CB 3.37Å; Q28-T32 PolarHBondContact O-N 3.27Å; Q28-T32 PolarHBondContact O-OG1 3.05Å
29V93.3Very high84.4Confident3 Ų380.2 Ų80.22%0.01845%0.446CS..Hα-helixtrans-62-51.2174.91690000110.3P24 S25 A26 E27 A31 T32 F33 Y121 Y125 I127 V161P24-V29 HydrophobicContact CB-CG2 4.07Å; P24-V29 HydrophobicContact CG-CG2 3.86Å; S25-V29 WeakPolarHBondContact O-CG2 3.34Å; S25-V29 PolarHBondContact O-N 3Å; A26-V29 PolarHBondContact O-N 3.21Å; E27-V29 VanDerWaalsContact C-N 3.33Å; E27-V29 PolarHBondContact O-N 3Å; V29-A31 PolarHBondContact O-N 3Å; V29-T32 PolarHBondContact O-N 3.16Å; V29-F33 WeakPolarHBondContact O-CB 3.15Å; V29-F33 PolarHBondContact O-N 2.92Å; V29-Y121 WeakPolarHBondContact CA-OH 3.23Å; V29-Y121 HydrophobicContact CG1-CE1 3.85Å; V29-Y121 WeakPolarHBondContact O-CE1 3.39Å; V29-Y125 HydrophobicContact CB-CG 4.48Å; V29-Y125 VanDerWaalsContact CG1-CB 3.49Å; V29-Y125 HydrophobicContact CG1-CD1 4.05Å; V29-Y125 HydrophobicContact CG1-CD2 3.98Å; V29-Y125 HydrophobicContact CG1-CG 3.58Å; V29-Y125 HydrophobicContact CG2-CD1 3.64Å; V29-Y125 HydrophobicContact CG2-CD2 4.43Å; V29-Y125 HydrophobicContact CG2-CE1 3.76Å; V29-Y125 HydrophobicContact CG2-CG 4Å; V29-I127 HydrophobicContact CG1-CD1 3.76Å; V29-I127 HydrophobicContact CG1-CG1 4.15Å; V29-V161 HydrophobicContact CB-CG2 4.32Å; V29-V161 HydrophobicContact CG1-CG2 3.82Å
30V91.8Very high87.1Confident24 Ų2479.4 Ų79.415%0.14542%0.422CS..Hα-helixtrans-59.8-48177.7171.40000111.4A26 E27 T32 F33 Q34 V159 V161A26-V30 WeakPolarHBondContact O-CG2 3.46Å; A26-V30 PolarHBondContact O-N 2.89Å; E27-V30 PolarHBondContact O-N 2.93Å; V30-T32 VanDerWaalsContact C-N 3.31Å; V30-T32 PolarHBondContact O-N 3.44Å; V30-F33 PolarHBondContact O-N 3.06Å; V30-Q34 HydrophobicContact CG1-CG 4.33Å; V30-Q34 WeakPolarHBondContact O-CG 3.37Å; V30-Q34 PolarHBondContact O-N 3.45Å; V30-V159 HydrophobicContact CB-CG1 4.35Å; V30-V159 HydrophobicContact CG1-CB 3.71Å; V30-V159 HydrophobicContact CG1-CG1 3.93Å; V30-V159 HydrophobicContact CG1-CG2 4.43Å; V30-V159 HydrophobicContact CG2-CB 4.3Å; V30-V159 HydrophobicContact CG2-CG1 3.89Å; V30-V161 HydrophobicContact CG2-CG2 3.45Å; V30-V161 VanDerWaalsContact CG2-CG2 3.45Å
31A93.9Very high89.5Confident57 Ų5776.2 Ų76.247%0.47140%0.404SS..Hα-helixtrans-60.6-42-179.300000111.8E27 V29 Q34 R35E27-A31 VanDerWaalsContact O-CB 3.3Å; E27-A31 WeakPolarHBondContact O-CB 3.39Å; E27-A31 PolarHBondContact O-N 3.39Å; V29-A31 PolarHBondContact O-N 3Å; A31-Q34 PolarHBondContact O-N 3.02Å; A31-R35 WeakPolarHBondContact O-CB 3.31Å; A31-R35 PolarHBondContact O-N 3.42Å
32T95.4Very high91.7Very high36 Ų3671 Ų7122%0.22138%0.383CS..Hα-helixtrans-64.2-46177-59.40000111.2Q28 V29 V30 Q34 R35 M36 Y121Q28-T32 VanDerWaalsContact O-CB 3.32Å; Q28-T32 WeakPolarHBondContact O-CB 3.37Å; Q28-T32 PolarHBondContact O-N 3.27Å; Q28-T32 PolarHBondContact O-OG1 3.05Å; V29-T32 PolarHBondContact O-N 3.16Å; V30-T32 VanDerWaalsContact C-N 3.31Å; V30-T32 PolarHBondContact O-N 3.44Å; T32-Q34 PolarHBondContact O-N 3.21Å; T32-R35 WeakPolarHBondContact O-CB 3.44Å; T32-R35 PolarHBondContact O-N 3.26Å; T32-M36 HydrophobicContact CG2-SD 4.16Å; T32-M36 WeakPolarHBondContact O-CG 3.45Å; T32-M36 PolarHBondContact O-N 3.48Å; T32-Y121 WeakPolarHBondContact CB-OH 3.47Å; T32-Y121 HydrophobicContact CG2-CE1 4.44Å; T32-Y121 HydrophobicContact CG2-CE2 4.15Å
33F95.1Very high93.3Very high6 Ų667.3 Ų67.33%0.02635%0.354CS..Hα-helixtrans-61.2-43.7177.6-177.6-107.3000112.3V29 V30 R35 M36 R37 L118 Y121 R122 I127 L129 V159V29-F33 WeakPolarHBondContact O-CB 3.15Å; V29-F33 PolarHBondContact O-N 2.92Å; V30-F33 PolarHBondContact O-N 3.06Å; F33-R35 PolarHBondContact O-N 2.88Å; F33-M36 PolarHBondContact O-N 3.33Å; F33-R37 HydrophobicContact CE1-CG 4.28Å; F33-R37 HydrophobicContact CZ-CG 4.36Å; F33-R37 WeakPolarHBondContact O-CG 3.48Å; F33-R37 PolarHBondContact O-N 2.77Å; F33-L118 HydrophobicContact CD2-CD2 3.66Å; F33-L118 HydrophobicContact CE2-CD2 3.53Å; F33-L118 HydrophobicContact CZ-CD2 4.29Å; F33-Y121 HydrophobicContact CB-CD1 4.01Å; F33-Y121 HydrophobicContact CB-CE1 3.99Å; F33-Y121 AromaticContact CD2-CD1 3.96Å; F33-Y121 HydrophobicContact CD2-CD1 3.96Å; F33-Y121 HydrophobicContact CG-CD1 4.45Å; F33-R122 HydrophobicContact CE2-CB 4.01Å; F33-R122 HydrophobicContact CZ-CB 4.46Å; F33-I127 HydrophobicContact CB-CD1 3.68Å; F33-I127 HydrophobicContact CD1-CD1 4.26Å; F33-I127 HydrophobicContact CD1-CG2 3.98Å; F33-I127 HydrophobicContact CD2-CD1 3.81Å; F33-I127 HydrophobicContact CE1-CG2 4.01Å; F33-I127 HydrophobicContact CG-CD1 3.66Å; F33-I127 HydrophobicContact CG-CG2 4.41Å; F33-I127 HydrophobicContact CZ-CG2 4.48Å; F33-L129 HydrophobicContact CE1-CD1 4.36Å; F33-L129 HydrophobicContact CE1-CD2 4.13Å; F33-L129 HydrophobicContact CE1-CG 4.3Å; F33-L129 HydrophobicContact CZ-CD1 4.39Å; F33-V159 HydrophobicContact CD1-CG1 4.1Å; F33-V159 HydrophobicContact CD1-CG2 4.45Å
34Q94.6Very high94.2Very high100 Ų10066.6 Ų66.647%0.46734%0.342SS..Hα-helixtrans-62.8-41.9175.7-71.6-172.922.600112V30 A31 T32 M36 R37 Q38 V159V30-Q34 HydrophobicContact CG1-CG 4.33Å; V30-Q34 WeakPolarHBondContact O-CG 3.37Å; V30-Q34 PolarHBondContact O-N 3.45Å; A31-Q34 PolarHBondContact O-N 3.02Å; T32-Q34 PolarHBondContact O-N 3.21Å; Q34-M36 PolarHBondContact O-N 3.04Å; Q34-R37 PolarHBondContact O-N 3.38Å; Q34-Q38 PolarHBondContact O-N 2.78Å; Q34-V159 HydrophobicContact CG-CG2 4.15Å
35R96.3Very high94.9Very high147 Ų14767.7 Ų67.756%0.55535%0.351SS*.Hα-helixtrans-59.4-46.9174.7-172.9-177.867.6-149-5.2111.3A31 T32 F33 R37 Q38 E39A31-R35 WeakPolarHBondContact O-CB 3.31Å; A31-R35 PolarHBondContact O-N 3.42Å; T32-R35 WeakPolarHBondContact O-CB 3.44Å; T32-R35 PolarHBondContact O-N 3.26Å; F33-R35 PolarHBondContact O-N 2.88Å; R35-R37 VanDerWaalsContact C-N 3.33Å; R35-R37 PolarHBondContact O-N 2.69Å; R35-Q38 PolarHBondContact O-N 2.69Å; R35-Q38 VanDerWaalsContact O-N 3.13Å; R35-E39 WeakPolarHBondContact CG-OE1 3.39Å; R35-E39 IonicContact NE-OE1 3.58Å; R35-E39 WeakPolarHBondContact O-CG 3.4Å; R35-E39 PolarHBondContact O-N 2.97Å
36M96.4Very high95.2Very high14 Ų1469.1 Ų69.17%0.06935%0.351CS..Hα-helixtrans-60.7-39.9177.7-69.6173.668.900112.4T32 F33 Q34 E39 Q40 E117 L118 Y121T32-M36 HydrophobicContact CG2-SD 4.16Å; T32-M36 WeakPolarHBondContact O-CG 3.45Å; T32-M36 PolarHBondContact O-N 3.48Å; F33-M36 PolarHBondContact O-N 3.33Å; Q34-M36 PolarHBondContact O-N 3.04Å; M36-E39 PolarHBondContact O-N 3.14Å; M36-Q40 PolarHBondContact O-N 3.14Å; M36-E117 HydrophobicContact CE-CB 3.57Å; M36-L118 HydrophobicContact CB-CD2 3.53Å; M36-L118 HydrophobicContact CB-CG 4.05Å; M36-L118 HydrophobicContact CE-CD2 4.38Å; M36-L118 HydrophobicContact CE-CG 4.25Å; M36-Y121 HydrophobicContact SD-CD2 4.39Å; M36-Y121 HydrophobicContact SD-CG 4.3Å
37R95.7Very high95.6Very high60 Ų6066.5 Ų66.523%0.22633%0.329CS..Hα-helixtrans-64.3-41.1173.8-71.7-173.675.4-168.112.3112F33 Q34 R35 Q40 R41 L118F33-R37 HydrophobicContact CE1-CG 4.28Å; F33-R37 HydrophobicContact CZ-CG 4.36Å; F33-R37 WeakPolarHBondContact O-CG 3.48Å; F33-R37 PolarHBondContact O-N 2.77Å; Q34-R37 PolarHBondContact O-N 3.38Å; R35-R37 VanDerWaalsContact C-N 3.33Å; R35-R37 PolarHBondContact O-N 2.69Å; R37-Q40 PolarHBondContact O-N 3.32Å; R37-R41 WeakPolarHBondContact O-CG 3.05Å; R37-R41 PolarHBondContact O-N 3Å; R37-L118 HydrophobicContact CG-CD1 4.23Å; R37-L118 HydrophobicContact CG-CD2 3.69Å
38Q96.8Very high96Very high91 Ų9160.7 Ų60.743%0.42531%0.309SS..Hα-helixtrans-64.7-42.9177.3-170.460.144.600111.1Q34 R35 Q40 R41 N42Q34-Q38 PolarHBondContact O-N 2.78Å; R35-Q38 PolarHBondContact O-N 2.69Å; R35-Q38 VanDerWaalsContact O-N 3.13Å; Q38-Q40 VanDerWaalsContact C-N 3.33Å; Q38-Q40 PolarHBondContact O-N 2.88Å; Q38-R41 PolarHBondContact O-N 2.95Å; Q38-N42 PolarHBondContact NE2-OD1 3.16Å; Q38-N42 WeakPolarHBondContact O-CB 3.43Å; Q38-N42 PolarHBondContact O-N 2.91Å; Q38-N42 PolarHBondContact O-OD1 2.88Å
39E97.1Very high96.2Very high68 Ų6860 Ų6032%0.31831%0.306SS..Hα-helixtrans-56.9-45.8173.7-72.7168.2-164.800111.3R35 M36 R41 N42 M43 K114R35-E39 WeakPolarHBondContact CG-OE1 3.39Å; R35-E39 IonicContact NE-OE1 3.58Å; R35-E39 WeakPolarHBondContact O-CG 3.4Å; R35-E39 PolarHBondContact O-N 2.97Å; M36-E39 PolarHBondContact O-N 3.14Å; E39-R41 PolarHBondContact O-N 3.04Å; E39-N42 PolarHBondContact O-N 3.19Å; E39-M43 WeakPolarHBondContact O-CG 3.27Å; E39-M43 PolarHBondContact O-N 3.12Å; E39-K114 WeakPolarHBondContact OE2-CE 3.25Å; E39-K114 IonicContact OE2-NZ 2.73Å; E39-K114 PolarHBondContact OE2-NZ 3.04Å
40Q96Very high96.5Very high58 Ų5860.8 Ų60.827%0.27131%0.31SS..Hα-helixtrans-61.4-43.9177.3-165.3-17429.900112.7M36 R37 Q38 M43 A44 M111 K114 L118M36-Q40 PolarHBondContact O-N 3.14Å; R37-Q40 PolarHBondContact O-N 3.32Å; Q38-Q40 VanDerWaalsContact C-N 3.33Å; Q38-Q40 PolarHBondContact O-N 2.88Å; Q40-M43 PolarHBondContact O-N 3.31Å; Q40-A44 PolarHBondContact O-N 3.12Å; Q40-M111 HydrophobicContact CG-CG 3.91Å; Q40-K114 HydrophobicContact CB-CG 4.4Å; Q40-L118 HydrophobicContact CB-CD1 4.15Å
41R96.5Very high96.8Very high129 Ų12964.2 Ų64.249%0.48732%0.324SS..Hα-helixtrans-65.5-37.8176.9-71.2172.8179.7168.2-3.3112.6R37 Q38 E39 M43 A44 S45R37-R41 WeakPolarHBondContact O-CG 3.05Å; R37-R41 PolarHBondContact O-N 3Å; Q38-R41 PolarHBondContact O-N 2.95Å; E39-R41 PolarHBondContact O-N 3.04Å; R41-M43 VanDerWaalsContact C-N 3.35Å; R41-A44 PolarHBondContact O-N 3.3Å; R41-S45 PolarHBondContact O-N 2.9Å; R41-S45 PolarHBondContact O-OG 3.04Å
42N97.5Very high97Very high87 Ų8767.3 Ų67.347%0.46533%0.33SS..Hα-helixtrans-64.3-42.5176.3-68.3-7.4000110.7Q38 E39 S45 K46Q38-N42 PolarHBondContact NE2-OD1 3.16Å; Q38-N42 WeakPolarHBondContact O-CB 3.43Å; Q38-N42 PolarHBondContact O-N 2.91Å; Q38-N42 PolarHBondContact O-OD1 2.88Å; E39-N42 PolarHBondContact O-N 3.19Å; N42-S45 PolarHBondContact O-N 3.39Å; N42-K46 PolarHBondContact O-N 3.16Å
43M97.8Very high97.1Very high34 Ų3468 Ų6817%0.16733%0.332CS..Hα-helixtrans-60.1-46.6174.1-74.2-173.2-71.100111.8E39 Q40 R41 S45 K46 A47 I107 Q110 M111 K114E39-M43 WeakPolarHBondContact O-CG 3.27Å; E39-M43 PolarHBondContact O-N 3.12Å; Q40-M43 PolarHBondContact O-N 3.31Å; R41-M43 VanDerWaalsContact C-N 3.35Å; M43-S45 VanDerWaalsContact C-N 3.33Å; M43-S45 PolarHBondContact O-N 3.3Å; M43-K46 PolarHBondContact O-N 3.17Å; M43-A47 PolarHBondContact O-N 3.33Å; M43-I107 HydrophobicContact CB-CG2 3.98Å; M43-I107 WeakPolarHBondContact O-CG2 3.47Å; M43-Q110 HydrophobicContact SD-CB 3.85Å; M43-M111 HydrophobicContact CB-CB 4.46Å; M43-M111 HydrophobicContact CE-CB 4.43Å; M43-K114 HydrophobicContact CE-CB 3.71Å; M43-K114 HydrophobicContact CE-CG 3.88Å
44A96.8Very high97.2Very high43 Ų4368.9 Ų68.936%0.35534%0.337SS..Hα-helixtrans-59.5-43.3176.700000112.3Q40 R41 K46 A47 A48 M111Q40-A44 PolarHBondContact O-N 3.12Å; R41-A44 PolarHBondContact O-N 3.3Å; A44-K46 VanDerWaalsContact C-N 3.33Å; A44-K46 PolarHBondContact O-N 3.43Å; A44-A47 PolarHBondContact O-N 3.42Å; A44-A48 PolarHBondContact O-N 2.8Å; A44-A48 VanDerWaalsContact O-N 3.07Å; A44-M111 HydrophobicContact CB-SD 3.78Å
45S98.1Very high97.3Very high79 Ų7969.2 Ų69.255%0.55234%0.342SS*.Hα-helixtrans-63.2-40.9177.8-53.90000111.5R41 N42 M43 A48 E49R41-S45 PolarHBondContact O-N 2.9Å; R41-S45 PolarHBondContact O-OG 3.04Å; N42-S45 PolarHBondContact O-N 3.39Å; M43-S45 VanDerWaalsContact C-N 3.33Å; M43-S45 PolarHBondContact O-N 3.3Å; S45-A48 PolarHBondContact O-N 2.98Å; S45-E49 PolarHBondContact O-N 2.93Å; S45-E49 VanDerWaalsContact O-N 3.13Å
46K98.1Very high97.4Very high83 Ų8368.3 Ų68.336%0.36135%0.345SS..Hα-helixtrans-70.5-37178.2-171.251.7172.9169.30112.7N42 M43 A44 E49 L50 I107N42-K46 PolarHBondContact O-N 3.16Å; M43-K46 PolarHBondContact O-N 3.17Å; A44-K46 VanDerWaalsContact C-N 3.33Å; A44-K46 PolarHBondContact O-N 3.43Å; K46-E49 WeakPolarHBondContact CD-OE2 3.34Å; K46-E49 IonicContact NZ-OE1 2.81Å; K46-E49 PolarHBondContact NZ-OE1 3.12Å; K46-E49 IonicContact NZ-OE2 2.82Å; K46-E49 PolarHBondContact NZ-OE2 3.35Å; K46-E49 PolarHBondContact O-N 3.41Å; K46-L50 HydrophobicContact CD-CG 4.47Å; K46-L50 HydrophobicContact CG-CD1 4.46Å; K46-L50 WeakPolarHBondContact O-CG 3.37Å; K46-L50 PolarHBondContact O-N 2.97Å; K46-L50 VanDerWaalsContact O-N 3.12Å; K46-I107 HydrophobicContact CG-CD1 4.17Å
47A97.8Very high97.4Very high4 Ų469.8 Ų69.83%0.03335%0.351CS..Hα-helixtrans-59.9-48.1173.500000110.8M43 A44 E49 L50 E51 I107M43-A47 PolarHBondContact O-N 3.33Å; A44-A47 PolarHBondContact O-N 3.42Å; A47-E49 VanDerWaalsContact C-N 3.34Å; A47-E49 PolarHBondContact O-N 3.2Å; A47-L50 PolarHBondContact O-N 3.48Å; A47-E51 WeakPolarHBondContact O-CG 3.41Å; A47-E51 PolarHBondContact O-N 3.11Å; A47-I107 HydrophobicContact CB-CG2 4Å
48A97.8Very high97.5Very high40 Ų4068 Ų6833%0.33135%0.347SS..Hα-helixtrans-61.3-38.717900000113.1A44 S45 E51 M52A44-A48 PolarHBondContact O-N 2.8Å; A44-A48 VanDerWaalsContact O-N 3.07Å; S45-A48 PolarHBondContact O-N 2.98Å; A48-E51 PolarHBondContact O-N 3.31Å; A48-M52 WeakPolarHBondContact O-CG 3.37Å; A48-M52 PolarHBondContact O-N 2.92Å
49E98.1Very high97.5Very high97 Ų9769.3 Ų69.345%0.45336%0.357SS..Hα-helixtrans-60.4-48.9173.6-172.2-167153.400111.2S45 K46 A47 E51 M52 D53S45-E49 PolarHBondContact O-N 2.93Å; S45-E49 VanDerWaalsContact O-N 3.13Å; K46-E49 WeakPolarHBondContact CD-OE2 3.34Å; K46-E49 IonicContact NZ-OE1 2.81Å; K46-E49 PolarHBondContact NZ-OE1 3.12Å; K46-E49 IonicContact NZ-OE2 2.82Å; K46-E49 PolarHBondContact NZ-OE2 3.35Å; K46-E49 PolarHBondContact O-N 3.41Å; A47-E49 VanDerWaalsContact C-N 3.34Å; A47-E49 PolarHBondContact O-N 3.2Å; E49-E51 VanDerWaalsContact C-N 3.31Å; E49-E51 PolarHBondContact O-N 3.48Å; E49-M52 WeakPolarHBondContact O-CB 3.17Å; E49-M52 PolarHBondContact O-N 3.42Å; E49-M52 VanDerWaalsContact O-N 3.12Å; E49-D53 PolarHBondContact O-N 3.23Å; E49-D53 VanDerWaalsContact O-N 3.17Å
50L98.3Very high97.5Very high19 Ų1969.1 Ų69.110%0.09936%0.36CS..Hα-helixtrans-67.7-29.9179.7-66.6177.2000112.8K46 A47 M52 D53 I54 I100 V103 I104 I107K46-L50 HydrophobicContact CD-CG 4.47Å; K46-L50 HydrophobicContact CG-CD1 4.46Å; K46-L50 WeakPolarHBondContact O-CG 3.37Å; K46-L50 PolarHBondContact O-N 2.97Å; K46-L50 VanDerWaalsContact O-N 3.12Å; A47-L50 PolarHBondContact O-N 3.48Å; L50-M52 VanDerWaalsContact C-N 3.31Å; L50-D53 PolarHBondContact O-N 3.01Å; L50-I54 PolarHBondContact O-N 3.4Å; L50-I100 HydrophobicContact CB-CG2 3.87Å; L50-I100 HydrophobicContact CD2-CG2 4.15Å; L50-I100 HydrophobicContact CG-CG2 4.45Å; L50-V103 HydrophobicContact CD1-CB 4.48Å; L50-V103 HydrophobicContact CD1-CG1 3.75Å; L50-I104 HydrophobicContact CB-CD1 3.74Å; L50-I104 HydrophobicContact CB-CG1 3.62Å; L50-I104 HydrophobicContact CD1-CG1 4.13Å; L50-I107 HydrophobicContact CD1-CD1 3.79Å
51E97.9Very high97.6Very high96 Ų9666.6 Ų66.645%0.44935%0.349SS..Hα-helixtrans-64.3-37172-74.7175.5174.700111.5A47 A48 E49 I54 N55 I104A47-E51 WeakPolarHBondContact O-CG 3.41Å; A47-E51 PolarHBondContact O-N 3.11Å; A48-E51 PolarHBondContact O-N 3.31Å; E49-E51 VanDerWaalsContact C-N 3.31Å; E49-E51 PolarHBondContact O-N 3.48Å; E51-I54 PolarHBondContact O-N 3.23Å; E51-N55 PolarHBondContact O-N 2.98Å; E51-N55 PolarHBondContact O-ND2 3.46Å; E51-I104 HydrophobicContact CG-CD1 3.9Å
52M98.1Very high97.6Very high122 Ų12264.7 Ų64.760%0.60135%0.348SS*.Hα-helixtrans-63.7-45.8172.5-64.3178.1-174.100110.9A48 E49 L50 I54 N55 E56A48-M52 WeakPolarHBondContact O-CG 3.37Å; A48-M52 PolarHBondContact O-N 2.92Å; E49-M52 WeakPolarHBondContact O-CB 3.17Å; E49-M52 PolarHBondContact O-N 3.42Å; E49-M52 VanDerWaalsContact O-N 3.12Å; L50-M52 VanDerWaalsContact C-N 3.31Å; M52-I54 VanDerWaalsContact C-N 3.28Å; M52-I54 PolarHBondContact O-N 2.91Å; M52-N55 WeakPolarHBondContact O-CB 3.17Å; M52-N55 PolarHBondContact O-N 2.66Å; M52-E56 PolarHBondContact O-N 3.37Å
53D97.5Very high97.5Very high50 Ų5064.2 Ų64.227%0.26735%0.349SS..Hα-helixtrans-57.4-40.6177-66.6-15000111.9E49 L50 N55 E56 H57 I100E49-D53 PolarHBondContact O-N 3.23Å; E49-D53 VanDerWaalsContact O-N 3.17Å; L50-D53 PolarHBondContact O-N 3.01Å; D53-N55 VanDerWaalsContact C-N 3.33Å; D53-N55 PolarHBondContact O-N 2.84Å; D53-E56 PolarHBondContact O-N 3.12Å; D53-H57 WeakPolarHBondContact O-CB 3.48Å; D53-H57 PolarHBondContact O-CD2 3.48Å; D53-H57 PolarHBondContact O-N 3.43Å; D53-I100 HydrophobicContact CB-CD1 4.35Å
54I98Very high97.4Very high25 Ų2564 Ų6413%0.12835%0.348CS..Hα-helixtrans-61.2-41.9175.4-76179.5000111.7L50 E51 M52 H57 S58 K97 I100 S101 I104L50-I54 PolarHBondContact O-N 3.4Å; E51-I54 PolarHBondContact O-N 3.23Å; M52-I54 VanDerWaalsContact C-N 3.28Å; M52-I54 PolarHBondContact O-N 2.91Å; I54-H57 PolarHBondContact O-N 3.13Å; I54-S58 WeakPolarHBondContact O-CB 3.4Å; I54-S58 PolarHBondContact O-N 2.97Å; I54-S58 PolarHBondContact O-OG 2.89Å; I54-K97 HydrophobicContact CG2-CG 4.39Å; I54-I100 HydrophobicContact CD1-CB 4.49Å; I54-I100 HydrophobicContact CD1-CG2 3.97Å; I54-I100 HydrophobicContact CG1-CB 4.15Å; I54-I100 HydrophobicContact CG1-CG2 3.67Å; I54-S101 WeakPolarHBondContact CD1-OG 3.35Å; I54-I104 HydrophobicContact CD1-CD1 3.37Å; I54-I104 HydrophobicContact CG1-CD1 4.28Å
55N97.5Very high97.3Very high108 Ų10867.5 Ų67.558%0.57836%0.355SS*.Hα-helixtrans-66-43.3-179.9-68-36.8000110.7E51 M52 D53 S58 L59E51-N55 PolarHBondContact O-N 2.98Å; E51-N55 PolarHBondContact O-ND2 3.46Å; M52-N55 WeakPolarHBondContact O-CB 3.17Å; M52-N55 PolarHBondContact O-N 2.66Å; D53-N55 VanDerWaalsContact C-N 3.33Å; D53-N55 PolarHBondContact O-N 2.84Å; N55-S58 WeakPolarHBondContact O-CB 3.31Å; N55-S58 PolarHBondContact O-N 3.07Å; N55-L59 PolarHBondContact O-N 3.47Å
56E97Very high97.2Very high128 Ų12872.3 Ų72.360%0.59837%0.369SS*.Hα-helixtrans-61.4-48.4174.7-67.6-175.5175.700111.7M52 D53 S58 L59 V60M52-E56 PolarHBondContact O-N 3.37Å; D53-E56 PolarHBondContact O-N 3.12Å; E56-S58 VanDerWaalsContact C-N 3.27Å; E56-S58 PolarHBondContact O-N 3.18Å; E56-L59 PolarHBondContact O-N 3.27Å; E56-V60 WeakPolarHBondContact O-CG2 3.44Å; E56-V60 PolarHBondContact O-N 3.28Å
57H97.3Very high97.1Very high45 Ų4571.2 Ų71.221%0.20837%0.369CS..Hα-helixtrans-58.1-40.5175.4-83.7-59.1000112.1D53 I54 V60 I61 L93 K97D53-H57 WeakPolarHBondContact O-CB 3.48Å; D53-H57 PolarHBondContact O-CD2 3.48Å; D53-H57 PolarHBondContact O-N 3.43Å; I54-H57 PolarHBondContact O-N 3.13Å; H57-V60 PolarHBondContact O-N 2.98Å; H57-I61 WeakPolarHBondContact O-CB 3.4Å; H57-I61 WeakPolarHBondContact O-CD1 3.37Å; H57-I61 WeakPolarHBondContact O-CG1 3.49Å; H57-I61 PolarHBondContact O-N 3.38Å; H57-L93 WeakPolarHBondContact ND1-CD2 3.24Å; H57-K97 HydrophobicContact CB-CB 4.23Å
58S97.8Very high97.1Very high21 Ų2175.5 Ų75.515%0.14739%0.391CS..Hα-helixtrans-62-47.3178.5-58.70000111.5I54 N55 E56 V60 I61 D62 K97I54-S58 WeakPolarHBondContact O-CB 3.4Å; I54-S58 PolarHBondContact O-N 2.97Å; I54-S58 PolarHBondContact O-OG 2.89Å; N55-S58 WeakPolarHBondContact O-CB 3.31Å; N55-S58 PolarHBondContact O-N 3.07Å; E56-S58 VanDerWaalsContact C-N 3.27Å; E56-S58 PolarHBondContact O-N 3.18Å; S58-V60 VanDerWaalsContact C-N 3.34Å; S58-V60 PolarHBondContact O-N 3.42Å; S58-I61 PolarHBondContact O-N 2.83Å; S58-D62 VanDerWaalsContact O-CG 3.27Å; S58-D62 PolarHBondContact O-N 3.47Å; S58-K97 VanDerWaalsContact OG-CE 3.27Å; S58-K97 WeakPolarHBondContact OG-CE 3.37Å; S58-K97 PolarHBondContact OG-NZ 3.36Å
59L97.8Very high97Very high119 Ų11977.2 Ų77.262%0.62340%0.399SS*.Hα-helixtrans-60.1-43.9177.5-178.962.7000111.9N55 E56 D62 T63N55-L59 PolarHBondContact O-N 3.47Å; E56-L59 PolarHBondContact O-N 3.27Å; L59-D62 PolarHBondContact O-N 2.97Å; L59-T63 WeakPolarHBondContact O-CG2 3.43Å; L59-T63 PolarHBondContact O-N 3.37Å; L59-T63 VanDerWaalsContact O-N 3.09Å; L59-T63 PolarHBondContact O-OG1 3.44Å
60V96.3Very high96.9Very high64 Ų6476.7 Ų76.739%0.38841%0.406SS..Hα-helixtrans-65.9-41.8178.3177.70000111.3E56 H57 S58 T63 L64 L93E56-V60 WeakPolarHBondContact O-CG2 3.44Å; E56-V60 PolarHBondContact O-N 3.28Å; H57-V60 PolarHBondContact O-N 2.98Å; S58-V60 VanDerWaalsContact C-N 3.34Å; S58-V60 PolarHBondContact O-N 3.42Å; V60-T63 PolarHBondContact O-OG1 2.82Å; V60-L64 HydrophobicContact CG1-CD1 3.86Å; V60-L64 HydrophobicContact CG1-CG 4.32Å; V60-L64 WeakPolarHBondContact O-CB 3.37Å; V60-L64 VanDerWaalsContact O-CG 3.31Å; V60-L64 WeakPolarHBondContact O-CG 3.39Å; V60-L64 PolarHBondContact O-N 3.33Å; V60-L93 HydrophobicContact CG1-CD1 3.72Å
61I97.3Very high96.9Very high6 Ų684 Ų843%0.03143%0.432CS..Hα-helixtrans-62-46.6177.3-71.6161.7000110.7H57 S58 T63 L64 K65 L93 E94 K97H57-I61 WeakPolarHBondContact O-CB 3.4Å; H57-I61 WeakPolarHBondContact O-CD1 3.37Å; H57-I61 WeakPolarHBondContact O-CG1 3.49Å; H57-I61 PolarHBondContact O-N 3.38Å; S58-I61 PolarHBondContact O-N 2.83Å; I61-T63 VanDerWaalsContact C-N 3.33Å; I61-T63 PolarHBondContact O-N 3.45Å; I61-L64 PolarHBondContact O-N 3.18Å; I61-K65 HydrophobicContact CG2-CD 4.19Å; I61-K65 VanDerWaalsContact CG2-CE 3.48Å; I61-K65 HydrophobicContact CG2-CG 4.44Å; I61-K65 WeakPolarHBondContact O-CG 3.41Å; I61-K65 PolarHBondContact O-N 3.05Å; I61-L93 HydrophobicContact CD1-CB 4.07Å; I61-L93 HydrophobicContact CG1-CB 3.73Å; I61-L93 HydrophobicContact CG1-CD1 4.41Å; I61-E94 HydrophobicContact CD1-CG 3.97Å; I61-E94 HydrophobicContact CG1-CG 4.33Å; I61-E94 HydrophobicContact CG2-CG 4.21Å; I61-K97 HydrophobicContact CD1-CB 4.39Å; I61-K97 HydrophobicContact CD1-CD 4.02Å
62D97.6Very high96.8Very high88 Ų8885 Ų8547%0.47144%0.435SS..Hα-helixtrans-64.2-40.2-177.1-68.9-20.2000111.5S58 L59 K65S58-D62 VanDerWaalsContact O-CG 3.27Å; S58-D62 PolarHBondContact O-N 3.47Å; L59-D62 PolarHBondContact O-N 2.97Å; D62-K65 IonicContact OD1-NZ 3.32Å
63T95.8Very high96.7Very high78 Ų7880.5 Ų80.548%0.47942%0.415SS..Hα-helixtrans-66.7-3917457.40000112.8L59 V60 I61 V67L59-T63 WeakPolarHBondContact O-CG2 3.43Å; L59-T63 PolarHBondContact O-N 3.37Å; L59-T63 VanDerWaalsContact O-N 3.09Å; L59-T63 PolarHBondContact O-OG1 3.44Å; V60-T63 PolarHBondContact O-OG1 2.82Å; I61-T63 VanDerWaalsContact C-N 3.33Å; I61-T63 PolarHBondContact O-N 3.45Å; T63-V67 WeakPolarHBondContact O-CG2 3.34Å
64L95.4Very high96.6Very high28 Ų2883.2 Ų83.215%0.14743%0.425CS..Hα-helixtrans-75.3-22.7-178.7-74179.7000113.9V60 I61 E66 V67 V86 V89 L90 L93V60-L64 HydrophobicContact CG1-CD1 3.86Å; V60-L64 HydrophobicContact CG1-CG 4.32Å; V60-L64 WeakPolarHBondContact O-CB 3.37Å; V60-L64 VanDerWaalsContact O-CG 3.31Å; V60-L64 WeakPolarHBondContact O-CG 3.39Å; V60-L64 PolarHBondContact O-N 3.33Å; I61-L64 PolarHBondContact O-N 3.18Å; L64-E66 PolarHBondContact O-N 2.98Å; L64-V67 PolarHBondContact O-N 3.5Å; L64-V67 VanDerWaalsContact O-N 3.16Å; L64-V86 HydrophobicContact CB-CG1 4.48Å; L64-V86 HydrophobicContact CD2-CG2 4.28Å; L64-V89 HydrophobicContact CD1-CG1 4.38Å; L64-L90 HydrophobicContact CB-CD1 3.51Å; L64-L93 HydrophobicContact CD1-CD1 3.69Å
65K94.9Very high96.3Very high118 Ų11888.6 Ų88.651%0.51344%0.444SS..Hα-helixtrans-63.2-29.2175.6-80.9171.5179.7163.80113.1I61 D62 V67 L90I61-K65 HydrophobicContact CG2-CD 4.19Å; I61-K65 VanDerWaalsContact CG2-CE 3.48Å; I61-K65 HydrophobicContact CG2-CG 4.44Å; I61-K65 WeakPolarHBondContact O-CG 3.41Å; I61-K65 PolarHBondContact O-N 3.05Å; D62-K65 IonicContact OD1-NZ 3.32Å; K65-V67 VanDerWaalsContact C-N 3.31Å; K65-L90 HydrophobicContact CG-CD1 4.15Å; K65-L90 HydrophobicContact CG-CD2 4.39Å
66E94.8Very high96Very high180 Ų18089.1 Ų89.184%0.84145%0.446SS*.THydrogen-bonded Turntrans-85.5-6.4178.7-59.1-175.7168.900112.7L64L64-E66 PolarHBondContact O-N 2.98Å
67V96.2Very high95.8Very high59 Ų5986 Ų8636%0.35844%0.435SS..SBendtrans-94.1145.3-177.4-178.60000110.6T63 L64 K65 R71 V86T63-V67 WeakPolarHBondContact O-CG2 3.34Å; L64-V67 PolarHBondContact O-N 3.5Å; L64-V67 VanDerWaalsContact O-N 3.16Å; K65-V67 VanDerWaalsContact C-N 3.31Å; V67-R71 HydrophobicContact CG1-CB 4.02Å; V67-R71 HydrophobicContact CG1-CG 4.18Å; V67-V86 HydrophobicContact CG1-CG2 4.02Å
68D96.9Very high95.6Very high94 Ų9488.2 Ų88.250%0.50347%0.47SS..  trans-53.5125.7175.4-175.3-69.1000111.8S70 R71D68-S70 PolarHBondContact O-N 3.06Å; D68-S70 VanDerWaalsContact O-N 3.16Å; D68-S70 WeakPolarHBondContact OD1-CA 3.36Å; D68-S70 VanDerWaalsContact OD1-CB 3.26Å; D68-S70 WeakPolarHBondContact OD1-CB 3.49Å; D68-S70 PolarHBondContact OD1-N 3.18Å; D68-S70 PolarHBondContact OD1-OG 3.2Å; D68-R71 HydrophobicContact CB-CB 4.38Å; D68-R71 WeakPolarHBondContact O-CB 3.46Å; D68-R71 PolarHBondContact O-N 3.36Å; D68-R71 PolarHBondContact OD1-N 2.96Å
69P96.4Very high95.5Very high77 Ų7790.3 Ų90.350%0.550%0.495SS..THydrogen-bonded Turntrans-61.4-25.2-176.8-25.534.2000115.1R71 V86 K87P69-R71 VanDerWaalsContact C-N 3.35Å; P69-V86 PolarHBondContact O-N 3.4Å; P69-K87 HydrophobicContact CB-CB 4Å; P69-K87 WeakPolarHBondContact O-CB 3.43Å; P69-K87 WeakPolarHBondContact O-CG 3.49Å; P69-K87 PolarHBondContact O-N 3.1Å
70S96.6Very high95.4Very high86 Ų8689.3 Ų89.360%0.60149%0.494SS*.THydrogen-bonded Turntrans-84.1-9.917876.30000113.2D68D68-S70 PolarHBondContact O-N 3.06Å; D68-S70 VanDerWaalsContact O-N 3.16Å; D68-S70 WeakPolarHBondContact OD1-CA 3.36Å; D68-S70 VanDerWaalsContact OD1-CB 3.26Å; D68-S70 WeakPolarHBondContact OD1-CB 3.49Å; D68-S70 PolarHBondContact OD1-N 3.18Å; D68-S70 PolarHBondContact OD1-OG 3.2Å
71R97.2Very high95.4Very high171 Ų17191.6 Ų91.665%0.64550%0.503SS*.SBendtrans-61.2138.2177.8-168.666.5176.5163.4-0.5110.4V67 D68 P69 T85 V86V67-R71 HydrophobicContact CG1-CB 4.02Å; V67-R71 HydrophobicContact CG1-CG 4.18Å; D68-R71 HydrophobicContact CB-CB 4.38Å; D68-R71 WeakPolarHBondContact O-CB 3.46Å; D68-R71 PolarHBondContact O-N 3.36Å; D68-R71 PolarHBondContact OD1-N 2.96Å; P69-R71 VanDerWaalsContact C-N 3.35Å; R71-T85 WeakPolarHBondContact O-CA 3.35Å; R71-V86 HydrophobicContact CB-CG2 4.16Å; R71-V86 PolarHBondContact O-N 3.25Å
72K96.9Very high95.3Very high119 Ų11993.6 Ų93.652%0.51752%0.516SS..EExtended strand (participates in β ladder)trans-65.6135.1174.1-63.4-175.9175.1-148.50110.4F74 E83 R84K72-F74 HydrophobicContact CB-CE2 4.12Å; K72-F74 HydrophobicContact CB-CZ 4.31Å; K72-F74 HydrophobicContact CD-CZ 4.46Å; K72-E83 HydrophobicContact CD-CG 4.4Å; K72-E83 VanDerWaalsContact CD-OE1 3.25Å; K72-E83 WeakPolarHBondContact CD-OE1 3.24Å; K72-E83 WeakPolarHBondContact CE-OE1 3.37Å; K72-E83 IonicContact NZ-OE1 2.66Å; K72-E83 PolarHBondContact NZ-OE1 3.11Å; K72-E83 IonicContact NZ-OE2 3.62Å; K72-E83 PolarHBondContact NZ-OE2 2.88Å; K72-R84 CarbonylContact C-O 3.56Å; K72-R84 WeakPolarHBondContact CA-O 3.46Å
73C95.7Very high95.2Very high26 Ų2694.3 Ų94.318%0.17652%0.516CS..EExtended strand (participates in β ladder)trans-122.2144174.3-176.40000108.2R84 V86 V89C73-R84 PolarHBondContact N-O 2.96Å; C73-R84 CarbonylContact O-C 3.57Å; C73-R84 PolarHBondContact O-N 2.96Å; C73-V86 HydrophobicContact CB-CG2 4.47Å; C73-V89 HydrophobicContact CB-CG2 4.05Å
74F95.1Very high95.2Very high108 Ų10896.1 Ų96.147%0.47451%0.514SS..EExtended strand (participates in β ladder)trans-122.6126.5-179.8-62.1-88.4000109.7K72 L81 V82 E83K72-F74 HydrophobicContact CB-CE2 4.12Å; K72-F74 HydrophobicContact CB-CZ 4.31Å; K72-F74 HydrophobicContact CD-CZ 4.46Å; F74-L81 HydrophobicContact CB-CD2 4.24Å; F74-V82 WeakPolarHBondContact CA-O 3.33Å; F74-E83 HydrophobicContact CD1-CB 4.01Å; F74-E83 HydrophobicContact CD1-CG 4.3Å; F74-E83 HydrophobicContact CE1-CB 3.71Å; F74-E83 HydrophobicContact CE1-CG 3.69Å; F74-E83 HydrophobicContact CZ-CG 4.13Å
75R91.6Very high95.3Very high138 Ų13896 Ų9652%0.52152%0.515SS..EExtended strand (participates in β ladder)trans-108.7127.1175.8-175.8177.765.6114.8-0.7109.8V77 V82R75-V77 HydrophobicContact CG-CG2 4.17Å; R75-V82 PolarHBondContact N-O 3.41Å; R75-V82 PolarHBondContact O-N 3.03Å
76L91.9Very high95.4Very high118 Ų11890.8 Ų90.862%0.61849%0.493SS*.EExtended strand (participates in β ladder)trans-78.8125.7174-172.566.2000110.3L81L76-L81 HydrophobicContact CB-CD2 4Å; L76-L81 HydrophobicContact CD1-CD2 3.92Å; L76-L81 HydrophobicContact CD1-CG 4.25Å
77V92.3Very high95.5Very high63 Ų6388.5 Ų88.538%0.38248%0.48SS..EExtended strand (participates in β ladder)trans-136.2114.8176.3-174.20000108.5R75 G79 V80 V82R75-V77 HydrophobicContact CG-CG2 4.17Å; V77-G79 PolarHBondContact O-N 2.82Å; V77-G79 VanDerWaalsContact O-N 3.11Å; V77-V80 PolarHBondContact N-O 2.86Å; V77-V80 PolarHBondContact O-N 3.26Å; V77-V82 HydrophobicContact CG2-CG2 4.22Å
78G93.6Very high95.4Very high91 Ų9190.1 Ų90.194%0.93848%0.484SS*.THydrogen-bonded Turntrans55.431.5177.300000114.3
79G94.9Very high95.3Very high66 Ų6686.8 Ų86.868%0.6847%0.467SS*.THydrogen-bonded Turntrans89.1-3.7-177.700000115.6V77V77-G79 PolarHBondContact O-N 2.82Å; V77-G79 VanDerWaalsContact O-N 3.11Å
80V95.9Very high95.3Very high98 Ų9884.6 Ų84.659%0.59445%0.451SS*.EExtended strand (participates in β ladder)trans-107.3134.5176.8-177.40000110.4V77V77-V80 PolarHBondContact N-O 2.86Å; V77-V80 PolarHBondContact O-N 3.26Å
81L95.9Very high95.3Very high111 Ų11183.8 Ų83.858%0.58144%0.444SS*.EExtended strand (participates in β ladder)trans-84.2120.3172.5-70.5173.2000110.3F74 L76F74-L81 HydrophobicContact CB-CD2 4.24Å; L76-L81 HydrophobicContact CB-CD2 4Å; L76-L81 HydrophobicContact CD1-CD2 3.92Å; L76-L81 HydrophobicContact CD1-CG 4.25Å
82V95.7Very high95.2Very high49 Ų4978 Ų7830%0.29743%0.432SS..EExtended strand (participates in β ladder)trans-97.3119.4175.3-176.90000108.9F74 R75 V77F74-V82 WeakPolarHBondContact CA-O 3.33Å; R75-V82 PolarHBondContact N-O 3.41Å; R75-V82 PolarHBondContact O-N 3.03Å; V77-V82 HydrophobicContact CG2-CG2 4.22Å
83E96Very high95.2Very high103 Ų10373.6 Ų73.648%0.48141%0.414SS..EExtended strand (participates in β ladder)trans-73133174.1-171.1176.5139.800110.9K72 F74K72-E83 HydrophobicContact CD-CG 4.4Å; K72-E83 VanDerWaalsContact CD-OE1 3.25Å; K72-E83 WeakPolarHBondContact CD-OE1 3.24Å; K72-E83 WeakPolarHBondContact CE-OE1 3.37Å; K72-E83 IonicContact NZ-OE1 2.66Å; K72-E83 PolarHBondContact NZ-OE1 3.11Å; K72-E83 IonicContact NZ-OE2 3.62Å; K72-E83 PolarHBondContact NZ-OE2 2.88Å; F74-E83 HydrophobicContact CD1-CB 4.01Å; F74-E83 HydrophobicContact CD1-CG 4.3Å; F74-E83 HydrophobicContact CE1-CB 3.71Å; F74-E83 HydrophobicContact CE1-CG 3.69Å; F74-E83 HydrophobicContact CZ-CG 4.13Å
84R95.8Very high95.2Very high115 Ų11576.2 Ų76.243%0.43442%0.424SS..EExtended strand (participates in β ladder)trans-143.1-179.2175.1-71-73.1-179.5127.4-3.1108.6K72 C73 E88 V89K72-R84 CarbonylContact C-O 3.56Å; K72-R84 WeakPolarHBondContact CA-O 3.46Å; C73-R84 PolarHBondContact N-O 2.96Å; C73-R84 CarbonylContact O-C 3.57Å; C73-R84 PolarHBondContact O-N 2.96Å; R84-E88 WeakPolarHBondContact CD-OE2 3.48Å; R84-V89 HydrophobicContact CB-CG2 3.57Å; R84-V89 HydrophobicContact CG-CG2 4.18Å
85T97.3Very high95.4Very high27 Ų2774.7 Ų74.717%0.16642%0.42CS..EExtended strand (participates in β ladder)trans-112.3158.6167.851.80000111.7R71 K87 E88 V89R71-T85 WeakPolarHBondContact O-CA 3.35Å; T85-K87 PolarHBondContact O-N 3.42Å; T85-K87 VanDerWaalsContact OG1-CE 3.31Å; T85-K87 WeakPolarHBondContact OG1-CE 3.41Å; T85-K87 WeakPolarHBondContact OG1-CG 3.34Å; T85-E88 PolarHBondContact N-OE2 3.22Å; T85-E88 PolarHBondContact O-N 2.84Å; T85-E88 WeakPolarHBondContact OG1-CG 3.47Å; T85-E88 PolarHBondContact OG1-OE2 3.33Å; T85-E88 VanDerWaalsContact OG1-OE2 3.12Å; T85-V89 WeakPolarHBondContact O-CG2 3.27Å; T85-V89 PolarHBondContact O-N 3.37Å
86V96.7Very high95.6Very high7 Ų771.5 Ų71.54%0.04241%0.414CS..Hα-helixtrans-55.9-41.7176.9172.60000111.1L64 V67 P69 R71 C73 E88 V89 L90L64-V86 HydrophobicContact CB-CG1 4.48Å; L64-V86 HydrophobicContact CD2-CG2 4.28Å; V67-V86 HydrophobicContact CG1-CG2 4.02Å; P69-V86 PolarHBondContact O-N 3.4Å; R71-V86 HydrophobicContact CB-CG2 4.16Å; R71-V86 PolarHBondContact O-N 3.25Å; C73-V86 HydrophobicContact CB-CG2 4.47Å; V86-E88 PolarHBondContact O-N 2.95Å; V86-E88 VanDerWaalsContact O-N 3.14Å; V86-V89 PolarHBondContact O-N 2.82Å; V86-V89 VanDerWaalsContact O-N 3.14Å; V86-L90 WeakPolarHBondContact O-CB 3.38Å; V86-L90 PolarHBondContact O-N 3.35Å
87K96.3Very high95.9Very high132 Ų13269.1 Ų69.157%0.57440%0.399SS*.Hα-helixtrans-58.5-24.6175.765.7176.7-176178.60114.6P69 T85 P91P69-K87 HydrophobicContact CB-CB 4Å; P69-K87 WeakPolarHBondContact O-CB 3.43Å; P69-K87 WeakPolarHBondContact O-CG 3.49Å; P69-K87 PolarHBondContact O-N 3.1Å; T85-K87 PolarHBondContact O-N 3.42Å; T85-K87 VanDerWaalsContact OG1-CE 3.31Å; T85-K87 WeakPolarHBondContact OG1-CE 3.41Å; T85-K87 WeakPolarHBondContact OG1-CG 3.34Å; K87-P91 VanDerWaalsContact O-CD 3.24Å; K87-P91 WeakPolarHBondContact O-CD 3.18Å; K87-P91 WeakPolarHBondContact O-CG 3.38Å
88E94.6Very high96.2Very high93 Ų9370.8 Ų70.844%0.43540%0.402SS..Hα-helixtrans-92.2-32177.4-68.3165.8161.200112R84 T85 V86R84-E88 WeakPolarHBondContact CD-OE2 3.48Å; T85-E88 PolarHBondContact N-OE2 3.22Å; T85-E88 PolarHBondContact O-N 2.84Å; T85-E88 WeakPolarHBondContact OG1-CG 3.47Å; T85-E88 PolarHBondContact OG1-OE2 3.33Å; T85-E88 VanDerWaalsContact OG1-OE2 3.12Å; V86-E88 PolarHBondContact O-N 2.95Å; V86-E88 VanDerWaalsContact O-N 3.14Å
89V95.3Very high96.4Very high24 Ų2471.5 Ų71.515%0.14538%0.381CS..Hα-helixtrans-83.4-40.3-175.5174.10000111.7L64 C73 R84 T85 V86 A92 L93L64-V89 HydrophobicContact CD1-CG1 4.38Å; C73-V89 HydrophobicContact CB-CG2 4.05Å; R84-V89 HydrophobicContact CB-CG2 3.57Å; R84-V89 HydrophobicContact CG-CG2 4.18Å; T85-V89 WeakPolarHBondContact O-CG2 3.27Å; T85-V89 PolarHBondContact O-N 3.37Å; V86-V89 PolarHBondContact O-N 2.82Å; V86-V89 VanDerWaalsContact O-N 3.14Å; V89-A92 WeakPolarHBondContact O-CB 3.39Å; V89-A92 PolarHBondContact O-N 2.81Å; V89-A92 VanDerWaalsContact O-N 3.16Å; V89-L93 HydrophobicContact CG1-CD1 3.79Å; V89-L93 HydrophobicContact CG1-CG 4.08Å; V89-L93 PolarHBondContact O-N 3.05Å
90L95.9Very high96.5Very high32 Ų3269.7 Ų69.717%0.16836%0.356CS..Hα-helixtrans-57.3-49.7-176.9-161104.9000112.3L64 K65 V86 A92 L93 E94L64-L90 HydrophobicContact CB-CD1 3.51Å; K65-L90 HydrophobicContact CG-CD1 4.15Å; K65-L90 HydrophobicContact CG-CD2 4.39Å; V86-L90 WeakPolarHBondContact O-CB 3.38Å; V86-L90 PolarHBondContact O-N 3.35Å; L90-A92 VanDerWaalsContact C-N 3.27Å; L90-A92 PolarHBondContact O-N 3Å; L90-L93 PolarHBondContact O-N 3.2Å; L90-E94 WeakPolarHBondContact O-CG 3.48Å; L90-E94 PolarHBondContact O-N 3.19Å
91P96.4Very high96.6Very high69 Ų6966.9 Ų66.945%0.44834%0.34SS..Hα-helixtrans-65.5-31.3179.3-19.633.9000112.7K87 N95K87-P91 VanDerWaalsContact O-CD 3.24Å; K87-P91 WeakPolarHBondContact O-CD 3.18Å; K87-P91 WeakPolarHBondContact O-CG 3.38Å; P91-N95 WeakPolarHBondContact O-CB 3.49Å; P91-N95 PolarHBondContact O-N 3.39Å
92A95.1Very high96.8Very high49 Ų4966.6 Ų66.641%0.40533%0.334SS..Hα-helixtrans-69.2-39.717700000111.7V89 L90 N96V89-A92 WeakPolarHBondContact O-CB 3.39Å; V89-A92 PolarHBondContact O-N 2.81Å; V89-A92 VanDerWaalsContact O-N 3.16Å; L90-A92 VanDerWaalsContact C-N 3.27Å; L90-A92 PolarHBondContact O-N 3Å; A92-N96 WeakPolarHBondContact O-CB 3.33Å; A92-N96 PolarHBondContact O-N 2.91Å; A92-N96 PolarHBondContact O-ND2 3.35Å
93L96.3Very high96.9Very high26 Ų2667.7 Ų67.714%0.13634%0.341CS..Hα-helixtrans-65.2-43.7174.6-70.7171000111.7H57 V60 I61 L64 V89 L90 N96 K97H57-L93 WeakPolarHBondContact ND1-CD2 3.24Å; V60-L93 HydrophobicContact CG1-CD1 3.72Å; I61-L93 HydrophobicContact CD1-CB 4.07Å; I61-L93 HydrophobicContact CG1-CB 3.73Å; I61-L93 HydrophobicContact CG1-CD1 4.41Å; L64-L93 HydrophobicContact CD1-CD1 3.69Å; V89-L93 HydrophobicContact CG1-CD1 3.79Å; V89-L93 HydrophobicContact CG1-CG 4.08Å; V89-L93 PolarHBondContact O-N 3.05Å; L90-L93 PolarHBondContact O-N 3.2Å; L93-N96 PolarHBondContact O-N 3.05Å; L93-K97 WeakPolarHBondContact O-CB 3.36Å; L93-K97 PolarHBondContact O-N 3.15Å
94E97.4Very high97Very high82 Ų8263.3 Ų63.338%0.38332%0.321SS..Hα-helixtrans-61.9-45.3177-71.3178.9159.400111.7I61 L90 K97 E98I61-E94 HydrophobicContact CD1-CG 3.97Å; I61-E94 HydrophobicContact CG1-CG 4.33Å; I61-E94 HydrophobicContact CG2-CG 4.21Å; L90-E94 WeakPolarHBondContact O-CG 3.48Å; L90-E94 PolarHBondContact O-N 3.19Å; E94-K97 PolarHBondContact O-N 3.5Å; E94-E98 PolarHBondContact O-N 3.26Å
95N97.9Very high97.1Very high75 Ų7563.8 Ų63.840%0.40133%0.327SS..Hα-helixtrans-62.9-45.1177-166.8-77.6000111.9P91 K97 E98 Q99P91-N95 WeakPolarHBondContact O-CB 3.49Å; P91-N95 PolarHBondContact O-N 3.39Å; N95-K97 PolarHBondContact O-N 3.47Å; N95-E98 PolarHBondContact O-N 2.94Å; N95-Q99 WeakPolarHBondContact O-CG 3.25Å; N95-Q99 PolarHBondContact O-N 3.11Å; N95-Q99 PolarHBondContact OD1-NE2 3.26Å
96N96.8Very high97.1Very high71 Ų7166 Ų6638%0.3834%0.341SS..Hα-helixtrans-61.9-44.6178-72-16.1000111.4A92 L93 E98 Q99 I100A92-N96 WeakPolarHBondContact O-CB 3.33Å; A92-N96 PolarHBondContact O-N 2.91Å; A92-N96 PolarHBondContact O-ND2 3.35Å; L93-N96 PolarHBondContact O-N 3.05Å; N96-E98 VanDerWaalsContact C-N 3.32Å; N96-E98 PolarHBondContact O-N 2.88Å; N96-Q99 PolarHBondContact O-N 2.81Å; N96-I100 VanDerWaalsContact O-CG1 3.27Å; N96-I100 WeakPolarHBondContact O-CG1 3.48Å; N96-I100 PolarHBondContact O-N 3.44Å
97K97.8Very high97.2Very high69 Ų6966.6 Ų66.630%0.334%0.344SS..Hα-helixtrans-56.4-47174.6177.5-178.7164.7176.60111I54 H57 S58 I61 L93 E94 N95 Q99 I100 S101I54-K97 HydrophobicContact CG2-CG 4.39Å; H57-K97 HydrophobicContact CB-CB 4.23Å; S58-K97 VanDerWaalsContact OG-CE 3.27Å; S58-K97 WeakPolarHBondContact OG-CE 3.37Å; S58-K97 PolarHBondContact OG-NZ 3.36Å; I61-K97 HydrophobicContact CD1-CB 4.39Å; I61-K97 HydrophobicContact CD1-CD 4.02Å; L93-K97 WeakPolarHBondContact O-CB 3.36Å; L93-K97 PolarHBondContact O-N 3.15Å; E94-K97 PolarHBondContact O-N 3.5Å; N95-K97 PolarHBondContact O-N 3.47Å; K97-Q99 PolarHBondContact O-N 2.79Å; K97-I100 PolarHBondContact O-N 2.86Å; K97-S101 PolarHBondContact O-N 2.93Å; K97-S101 PolarHBondContact O-OG 3.26Å; K97-S101 VanDerWaalsContact O-OG 3.12Å
98E98.2Very high97.2Very high97 Ų9762.8 Ų62.845%0.45333%0.33SS..Hα-helixtrans-61.9-42.1178.1-168.1-165.6155.700112.2E94 N95 N96 S101 K102E94-E98 PolarHBondContact O-N 3.26Å; N95-E98 PolarHBondContact O-N 2.94Å; N96-E98 VanDerWaalsContact C-N 3.32Å; N96-E98 PolarHBondContact O-N 2.88Å; E98-S101 WeakPolarHBondContact O-CB 3.44Å; E98-S101 PolarHBondContact O-N 2.71Å; E98-K102 WeakPolarHBondContact O-CG 3.39Å; E98-K102 PolarHBondContact O-N 2.98Å; E98-K102 VanDerWaalsContact O-N 3.11Å; E98-K102 VanDerWaalsContact OE1-CE 3.24Å; E98-K102 WeakPolarHBondContact OE1-CE 3.41Å; E98-K102 IonicContact OE1-NZ 2.69Å; E98-K102 PolarHBondContact OE1-NZ 3.42Å
99Q98.2Very high97.4Very high107 Ų10762.8 Ų62.850%0.534%0.336SS..Hα-helixtrans-62.5-44176-70.9-179.51.600111.6N95 N96 K97 S101 K102 V103N95-Q99 WeakPolarHBondContact O-CG 3.25Å; N95-Q99 PolarHBondContact O-N 3.11Å; N95-Q99 PolarHBondContact OD1-NE2 3.26Å; N96-Q99 PolarHBondContact O-N 2.81Å; K97-Q99 PolarHBondContact O-N 2.79Å; Q99-S101 VanDerWaalsContact C-N 3.34Å; Q99-S101 PolarHBondContact O-N 3.42Å; Q99-K102 PolarHBondContact O-N 3.03Å; Q99-V103 WeakPolarHBondContact O-CG2 3.4Å; Q99-V103 PolarHBondContact O-N 3.43Å
100I97.9Very high97.5Very high28 Ų2866.7 Ų66.714%0.14435%0.353CS..Hα-helixtrans-61.6-43.4176.8-64.9165.4000110.2L50 D53 I54 N96 K97 K102 V103 I104L50-I100 HydrophobicContact CB-CG2 3.87Å; L50-I100 HydrophobicContact CD2-CG2 4.15Å; L50-I100 HydrophobicContact CG-CG2 4.45Å; D53-I100 HydrophobicContact CB-CD1 4.35Å; I54-I100 HydrophobicContact CD1-CB 4.49Å; I54-I100 HydrophobicContact CD1-CG2 3.97Å; I54-I100 HydrophobicContact CG1-CB 4.15Å; I54-I100 HydrophobicContact CG1-CG2 3.67Å; N96-I100 VanDerWaalsContact O-CG1 3.27Å; N96-I100 WeakPolarHBondContact O-CG1 3.48Å; N96-I100 PolarHBondContact O-N 3.44Å; K97-I100 PolarHBondContact O-N 2.86Å; I100-K102 VanDerWaalsContact C-N 3.33Å; I100-K102 PolarHBondContact O-N 3.48Å; I100-V103 WeakPolarHBondContact O-CB 3.48Å; I100-V103 PolarHBondContact O-N 3.24Å; I100-V103 VanDerWaalsContact O-N 3.1Å; I100-I104 HydrophobicContact CG2-CD1 4.11Å; I100-I104 WeakPolarHBondContact O-CG1 3.42Å; I100-I104 PolarHBondContact O-N 2.89Å
101S97.9Very high97.5Very high38 Ų3867.3 Ų67.327%0.26636%0.356SS..Hα-helixtrans-55.9-45.7175.4-610000112.3I54 K97 E98 Q99 V103 I104 E105I54-S101 WeakPolarHBondContact CD1-OG 3.35Å; K97-S101 PolarHBondContact O-N 2.93Å; K97-S101 PolarHBondContact O-OG 3.26Å; K97-S101 VanDerWaalsContact O-OG 3.12Å; E98-S101 WeakPolarHBondContact O-CB 3.44Å; E98-S101 PolarHBondContact O-N 2.71Å; Q99-S101 VanDerWaalsContact C-N 3.34Å; Q99-S101 PolarHBondContact O-N 3.42Å; S101-V103 VanDerWaalsContact C-N 3.31Å; S101-V103 PolarHBondContact O-N 2.85Å; S101-I104 PolarHBondContact O-N 3.13Å; S101-E105 WeakPolarHBondContact O-CG 3.35Å; S101-E105 PolarHBondContact O-N 3.35Å
102K98.2Very high97.5Very high106 Ų10669.6 Ų69.646%0.46136%0.36SS..Hα-helixtrans-63.4-36.2177.5-70.2172.9-175.3168.10112.5E98 Q99 I100 E105 T106E98-K102 WeakPolarHBondContact O-CG 3.39Å; E98-K102 PolarHBondContact O-N 2.98Å; E98-K102 VanDerWaalsContact O-N 3.11Å; E98-K102 VanDerWaalsContact OE1-CE 3.24Å; E98-K102 WeakPolarHBondContact OE1-CE 3.41Å; E98-K102 IonicContact OE1-NZ 2.69Å; E98-K102 PolarHBondContact OE1-NZ 3.42Å; Q99-K102 PolarHBondContact O-N 3.03Å; I100-K102 VanDerWaalsContact C-N 3.33Å; I100-K102 PolarHBondContact O-N 3.48Å; K102-E105 PolarHBondContact O-N 3.3Å; K102-T106 PolarHBondContact O-N 3.34Å; K102-T106 PolarHBondContact O-OG1 2.87Å
103V98.1Very high97.6Very high71 Ų7169.4 Ų69.443%0.4336%0.358SS..Hα-helixtrans-66-42.8175.2174.20000110.5L50 Q99 I100 S101 T106 I107L50-V103 HydrophobicContact CD1-CB 4.48Å; L50-V103 HydrophobicContact CD1-CG1 3.75Å; Q99-V103 WeakPolarHBondContact O-CG2 3.4Å; Q99-V103 PolarHBondContact O-N 3.43Å; I100-V103 WeakPolarHBondContact O-CB 3.48Å; I100-V103 PolarHBondContact O-N 3.24Å; I100-V103 VanDerWaalsContact O-N 3.1Å; S101-V103 VanDerWaalsContact C-N 3.31Å; S101-V103 PolarHBondContact O-N 2.85Å; V103-T106 WeakPolarHBondContact O-CB 3.28Å; V103-T106 PolarHBondContact O-N 3.02Å; V103-I107 HydrophobicContact CG1-CD1 3.92Å; V103-I107 HydrophobicContact CG1-CG1 4.41Å; V103-I107 WeakPolarHBondContact O-CG1 3.39Å; V103-I107 PolarHBondContact O-N 3.2Å
104I98.1Very high97.7Very high12 Ų1269.8 Ų69.86%0.06236%0.359CS..Hα-helixtrans-61.3-45.1175.8-66.8167.5000111.1L50 E51 I54 I100 S101 T106 I107 N108L50-I104 HydrophobicContact CB-CD1 3.74Å; L50-I104 HydrophobicContact CB-CG1 3.62Å; L50-I104 HydrophobicContact CD1-CG1 4.13Å; E51-I104 HydrophobicContact CG-CD1 3.9Å; I54-I104 HydrophobicContact CD1-CD1 3.37Å; I54-I104 HydrophobicContact CG1-CD1 4.28Å; I100-I104 HydrophobicContact CG2-CD1 4.11Å; I100-I104 WeakPolarHBondContact O-CG1 3.42Å; I100-I104 PolarHBondContact O-N 2.89Å; S101-I104 PolarHBondContact O-N 3.13Å; I104-T106 VanDerWaalsContact C-N 3.25Å; I104-T106 PolarHBondContact O-N 2.92Å; I104-I107 PolarHBondContact O-N 2.94Å; I104-N108 WeakPolarHBondContact O-CB 3.43Å; I104-N108 PolarHBondContact O-N 3.37Å; I104-N108 PolarHBondContact O-ND2 3.47Å
105E98.2Very high97.6Very high124 Ų12466.7 Ų66.758%0.57935%0.349SS*.Hα-helixtrans-57.2-41174.9-72.3174.3-174.200112S101 K102 N108 T109S101-E105 WeakPolarHBondContact O-CG 3.35Å; S101-E105 PolarHBondContact O-N 3.35Å; K102-E105 PolarHBondContact O-N 3.3Å; E105-N108 PolarHBondContact O-N 2.96Å; E105-T109 PolarHBondContact O-N 3.3Å; E105-T109 PolarHBondContact O-OG1 3.41Å
106T98.2Very high97.5Very high74 Ų7471 Ų7145%0.45436%0.36SS..Hα-helixtrans-64.8-46.4176.2-56.40000111.3K102 V103 I104 N108 T109 Q110K102-T106 PolarHBondContact O-N 3.34Å; K102-T106 PolarHBondContact O-OG1 2.87Å; V103-T106 WeakPolarHBondContact O-CB 3.28Å; V103-T106 PolarHBondContact O-N 3.02Å; I104-T106 VanDerWaalsContact C-N 3.25Å; I104-T106 PolarHBondContact O-N 2.92Å; T106-N108 VanDerWaalsContact C-N 3.33Å; T106-N108 PolarHBondContact O-N 3.12Å; T106-T109 PolarHBondContact O-N 3.39Å; T106-Q110 WeakPolarHBondContact O-CG 3.49Å; T106-Q110 PolarHBondContact O-N 2.96Å
107I97.9Very high97.5Very high20 Ų2071.9 Ų71.910%0.10336%0.362CS..Hα-helixtrans-61.6-43177.1-68.6168.9000110.5M43 K46 A47 L50 V103 I104 T109 Q110 M111M43-I107 HydrophobicContact CB-CG2 3.98Å; M43-I107 WeakPolarHBondContact O-CG2 3.47Å; K46-I107 HydrophobicContact CG-CD1 4.17Å; A47-I107 HydrophobicContact CB-CG2 4Å; L50-I107 HydrophobicContact CD1-CD1 3.79Å; V103-I107 HydrophobicContact CG1-CD1 3.92Å; V103-I107 HydrophobicContact CG1-CG1 4.41Å; V103-I107 WeakPolarHBondContact O-CG1 3.39Å; V103-I107 PolarHBondContact O-N 3.2Å; I104-I107 PolarHBondContact O-N 2.94Å; I107-T109 VanDerWaalsContact C-N 3.33Å; I107-T109 PolarHBondContact O-N 2.88Å; I107-Q110 PolarHBondContact O-N 2.99Å; I107-M111 VanDerWaalsContact O-CB 3.25Å; I107-M111 WeakPolarHBondContact O-CB 3.48Å; I107-M111 PolarHBondContact O-N 3.36Å
108N97.5Very high97.4Very high51 Ų5169.2 Ų69.227%0.27335%0.35SS..Hα-helixtrans-61.6-42.5177.5-79.3-28.7000111.7I104 E105 T106 M111 Q112I104-N108 WeakPolarHBondContact O-CB 3.43Å; I104-N108 PolarHBondContact O-N 3.37Å; I104-N108 PolarHBondContact O-ND2 3.47Å; E105-N108 PolarHBondContact O-N 2.96Å; T106-N108 VanDerWaalsContact C-N 3.33Å; T106-N108 PolarHBondContact O-N 3.12Å; N108-M111 PolarHBondContact O-N 3.1Å; N108-Q112 WeakPolarHBondContact O-CG 3.49Å; N108-Q112 PolarHBondContact O-N 2.91Å
109T97.9Very high97.3Very high93 Ų9368.1 Ų68.157%0.57135%0.35SS*.Hα-helixtrans-62.8-46175.3-57.30000111.4E105 T106 I107 M111 Q112 A113E105-T109 PolarHBondContact O-N 3.3Å; E105-T109 PolarHBondContact O-OG1 3.41Å; T106-T109 PolarHBondContact O-N 3.39Å; I107-T109 VanDerWaalsContact C-N 3.33Å; I107-T109 PolarHBondContact O-N 2.88Å; T109-M111 VanDerWaalsContact C-N 3.34Å; T109-M111 PolarHBondContact O-N 2.97Å; T109-Q112 PolarHBondContact O-N 3.25Å; T109-A113 PolarHBondContact O-N 3.5Å
110Q97.3Very high97.2Very high107 Ų10768.1 Ų68.150%0.535%0.351SS..Hα-helixtrans-63.1-39.9176.7-71.5177.7-3.100112M43 T106 I107 A113 K114M43-Q110 HydrophobicContact SD-CB 3.85Å; T106-Q110 WeakPolarHBondContact O-CG 3.49Å; T106-Q110 PolarHBondContact O-N 2.96Å; I107-Q110 PolarHBondContact O-N 2.99Å; Q110-A113 PolarHBondContact O-N 2.84Å; Q110-K114 WeakPolarHBondContact O-CB 3.45Å; Q110-K114 PolarHBondContact O-N 2.86Å
111M96.6Very high97.1Very high45 Ų4568.3 Ų68.322%0.22235%0.35CS..Hα-helixtrans-65.3-39.4177.9-175.5173.561.400112Q40 M43 A44 I107 N108 T109 K114 G115Q40-M111 HydrophobicContact CG-CG 3.91Å; M43-M111 HydrophobicContact CB-CB 4.46Å; M43-M111 HydrophobicContact CE-CB 4.43Å; A44-M111 HydrophobicContact CB-SD 3.78Å; I107-M111 VanDerWaalsContact O-CB 3.25Å; I107-M111 WeakPolarHBondContact O-CB 3.48Å; I107-M111 PolarHBondContact O-N 3.36Å; N108-M111 PolarHBondContact O-N 3.1Å; T109-M111 VanDerWaalsContact C-N 3.34Å; T109-M111 PolarHBondContact O-N 2.97Å; M111-K114 PolarHBondContact O-N 3.49Å; M111-G115 PolarHBondContact O-N 3.46Å
112Q96.4Very high96.8Very high117 Ų11771.3 Ų71.355%0.54736%0.355SS..Hα-helixtrans-66.3-45.7173.5-72.7178.616.900111.8N108 T109 K114 G115 R116N108-Q112 WeakPolarHBondContact O-CG 3.49Å; N108-Q112 PolarHBondContact O-N 2.91Å; T109-Q112 PolarHBondContact O-N 3.25Å; Q112-K114 VanDerWaalsContact C-N 3.3Å; Q112-K114 PolarHBondContact O-N 3.29Å; Q112-G115 PolarHBondContact O-N 3.47Å; Q112-R116 WeakPolarHBondContact O-CG 3.44Å; Q112-R116 PolarHBondContact O-N 3.08Å
113A97.4Very high96.6Very high44 Ų4472.7 Ų72.736%0.36436%0.363SS..Hα-helixtrans-57.9-45.6175.200000110.9T109 Q110 G115 R116 E117T109-A113 PolarHBondContact O-N 3.5Å; Q110-A113 PolarHBondContact O-N 2.84Å; A113-G115 VanDerWaalsContact C-N 3.32Å; A113-G115 PolarHBondContact O-N 2.91Å; A113-R116 WeakPolarHBondContact O-CB 3.43Å; A113-R116 PolarHBondContact O-N 2.92Å; A113-R116 VanDerWaalsContact O-N 3.15Å; A113-E117 PolarHBondContact O-N 3.4Å
114K97.1Very high96.4Very high35 Ų3577.1 Ų77.115%0.15237%0.372CS..Hα-helixtrans-63.7-36176.8-159.467.9172.3-172.70113.3E39 Q40 M43 Q110 M111 Q112 R116 E117 L118E39-K114 WeakPolarHBondContact OE2-CE 3.25Å; E39-K114 IonicContact OE2-NZ 2.73Å; E39-K114 PolarHBondContact OE2-NZ 3.04Å; Q40-K114 HydrophobicContact CB-CG 4.4Å; M43-K114 HydrophobicContact CE-CB 3.71Å; M43-K114 HydrophobicContact CE-CG 3.88Å; Q110-K114 WeakPolarHBondContact O-CB 3.45Å; Q110-K114 PolarHBondContact O-N 2.86Å; M111-K114 PolarHBondContact O-N 3.49Å; Q112-K114 VanDerWaalsContact C-N 3.3Å; Q112-K114 PolarHBondContact O-N 3.29Å; K114-R116 VanDerWaalsContact C-N 3.34Å; K114-E117 WeakPolarHBondContact CD-OE2 3.48Å; K114-E117 IonicContact NZ-OE2 3.47Å; K114-E117 PolarHBondContact NZ-OE2 2.94Å; K114-E117 PolarHBondContact O-N 3.31Å; K114-L118 WeakPolarHBondContact O-CB 3.4Å; K114-L118 WeakPolarHBondContact O-CG 3.33Å; K114-L118 PolarHBondContact O-N 2.73Å
115G95.3Very high96.1Very high17 Ų1779.3 Ų79.318%0.17538%0.38CS..Hα-helixtrans-61.2-42.3173.200000112.2M111 Q112 A113 L118 T119M111-G115 PolarHBondContact O-N 3.46Å; Q112-G115 PolarHBondContact O-N 3.47Å; A113-G115 VanDerWaalsContact C-N 3.32Å; A113-G115 PolarHBondContact O-N 2.91Å; G115-L118 WeakPolarHBondContact O-CB 3.47Å; G115-L118 PolarHBondContact O-N 3.28Å; G115-T119 PolarHBondContact O-N 3.29Å; G115-T119 VanDerWaalsContact O-N 3.1Å; G115-T119 PolarHBondContact O-OG1 2.89Å
116R97.4Very high95.8Very high166 Ų16678.4 Ų78.463%0.62638%0.379SS*.Hα-helixtrans-65.2-47.1174.5-63.2175.9-166.8-179.54.8111.4Q112 A113 K114 L118 T119 E120Q112-R116 WeakPolarHBondContact O-CG 3.44Å; Q112-R116 PolarHBondContact O-N 3.08Å; A113-R116 WeakPolarHBondContact O-CB 3.43Å; A113-R116 PolarHBondContact O-N 2.92Å; A113-R116 VanDerWaalsContact O-N 3.15Å; K114-R116 VanDerWaalsContact C-N 3.34Å; R116-L118 VanDerWaalsContact C-N 3.26Å; R116-L118 PolarHBondContact O-N 3Å; R116-T119 PolarHBondContact O-N 2.92Å; R116-T119 VanDerWaalsContact O-N 3.12Å; R116-E120 WeakPolarHBondContact O-CG 3.4Å; R116-E120 PolarHBondContact O-N 3.47Å
117E96.5Very high95.3Very high89 Ų8975.1 Ų75.142%0.41636%0.359SS..Hα-helixtrans-56.8-40.3175.3-70.3177.6-164.400111.9M36 A113 K114 Y121M36-E117 HydrophobicContact CE-CB 3.57Å; A113-E117 PolarHBondContact O-N 3.4Å; K114-E117 WeakPolarHBondContact CD-OE2 3.48Å; K114-E117 IonicContact NZ-OE2 3.47Å; K114-E117 PolarHBondContact NZ-OE2 2.94Å; K114-E117 PolarHBondContact O-N 3.31Å; E117-Y121 WeakPolarHBondContact O-CB 2.91Å; E117-Y121 PolarHBondContact O-N 3.26Å
118L95.7Very high94.7Very high12 Ų1281.9 Ų81.96%0.06338%0.383CS..Hα-helixtrans-62.7-44.5176.2-87166.7000112.1F33 M36 R37 Q40 K114 G115 R116 Y121 R122F33-L118 HydrophobicContact CD2-CD2 3.66Å; F33-L118 HydrophobicContact CE2-CD2 3.53Å; F33-L118 HydrophobicContact CZ-CD2 4.29Å; M36-L118 HydrophobicContact CB-CD2 3.53Å; M36-L118 HydrophobicContact CB-CG 4.05Å; M36-L118 HydrophobicContact CE-CD2 4.38Å; M36-L118 HydrophobicContact CE-CG 4.25Å; R37-L118 HydrophobicContact CG-CD1 4.23Å; R37-L118 HydrophobicContact CG-CD2 3.69Å; Q40-L118 HydrophobicContact CB-CD1 4.15Å; K114-L118 WeakPolarHBondContact O-CB 3.4Å; K114-L118 WeakPolarHBondContact O-CG 3.33Å; K114-L118 PolarHBondContact O-N 2.73Å; G115-L118 WeakPolarHBondContact O-CB 3.47Å; G115-L118 PolarHBondContact O-N 3.28Å; R116-L118 VanDerWaalsContact C-N 3.26Å; R116-L118 PolarHBondContact O-N 3Å; L118-Y121 PolarHBondContact O-N 3.01Å; L118-R122 VanDerWaalsContact O-CB 3.28Å; L118-R122 WeakPolarHBondContact O-CB 3.18Å; L118-R122 PolarHBondContact O-N 3.24Å
119T95.1Very high93.7Very high74 Ų7480.3 Ų80.345%0.45437%0.374SS..Hα-helixtrans-63-49.1176.4-59.50000111G115 R116 Y121 R122 E123G115-T119 PolarHBondContact O-N 3.29Å; G115-T119 VanDerWaalsContact O-N 3.1Å; G115-T119 PolarHBondContact O-OG1 2.89Å; R116-T119 PolarHBondContact O-N 2.92Å; R116-T119 VanDerWaalsContact O-N 3.12Å; T119-Y121 VanDerWaalsContact C-N 3.32Å; T119-Y121 PolarHBondContact O-N 3.46Å; T119-R122 WeakPolarHBondContact O-CB 3.4Å; T119-R122 PolarHBondContact O-N 2.87Å; T119-E123 WeakPolarHBondContact O-CG 3.3Å; T119-E123 PolarHBondContact O-N 3.47Å
120E96.6Very high92.1Very high108 Ų10879.4 Ų79.451%0.50537%0.369SS..Hα-helixtrans-60.6-40.9177.8-70.4176-161.700112.1R116 E123 R124R116-E120 WeakPolarHBondContact O-CG 3.4Å; R116-E120 PolarHBondContact O-N 3.47Å; E120-E123 PolarHBondContact O-N 2.97Å; E120-R124 VanDerWaalsContact O-CB 3.23Å; E120-R124 WeakPolarHBondContact O-CB 3.49Å; E120-R124 PolarHBondContact O-N 3.34Å
121Y95.3Very high90.3Very high31 Ų3177.6 Ų77.612%0.12238%0.379CS..Hα-helixtrans-68-38.7178.1-162.8-90.4000111.7V29 T32 F33 M36 E117 L118 T119 Y125 I127V29-Y121 WeakPolarHBondContact CA-OH 3.23Å; V29-Y121 HydrophobicContact CG1-CE1 3.85Å; V29-Y121 WeakPolarHBondContact O-CE1 3.39Å; T32-Y121 WeakPolarHBondContact CB-OH 3.47Å; T32-Y121 HydrophobicContact CG2-CE1 4.44Å; T32-Y121 HydrophobicContact CG2-CE2 4.15Å; F33-Y121 HydrophobicContact CB-CD1 4.01Å; F33-Y121 HydrophobicContact CB-CE1 3.99Å; F33-Y121 AromaticContact CD2-CD1 3.96Å; F33-Y121 HydrophobicContact CD2-CD1 3.96Å; F33-Y121 HydrophobicContact CG-CD1 4.45Å; M36-Y121 HydrophobicContact SD-CD2 4.39Å; M36-Y121 HydrophobicContact SD-CG 4.3Å; E117-Y121 WeakPolarHBondContact O-CB 2.91Å; E117-Y121 PolarHBondContact O-N 3.26Å; L118-Y121 PolarHBondContact O-N 3.01Å; T119-Y121 VanDerWaalsContact C-N 3.32Å; T119-Y121 PolarHBondContact O-N 3.46Å; Y121-Y125 HydrophobicContact CD1-CD2 4.04Å; Y121-Y125 HydrophobicContact CD2-CD2 4.13Å; Y121-Y125 AromaticContact CD2-CE2 3.9Å; Y121-Y125 HydrophobicContact CD2-CE2 3.9Å; Y121-Y125 AromaticContact CE1-CD2 3.81Å; Y121-Y125 HydrophobicContact CE1-CD2 3.81Å; Y121-Y125 HydrophobicContact CE1-CE2 4.16Å; Y121-Y125 AromaticContact CE2-CD2 3.91Å; Y121-Y125 HydrophobicContact CE2-CD2 3.91Å; Y121-Y125 AromaticContact CE2-CE2 3.44Å; Y121-Y125 HydrophobicContact CE2-CE2 3.44Å; Y121-Y125 VanDerWaalsContact CE2-CE2 3.44Å; Y121-Y125 HydrophobicContact CG-CD2 4.2Å; Y121-Y125 HydrophobicContact CG-CE2 4.43Å; Y121-Y125 AromaticContact CZ-CD2 3.73Å; Y121-Y125 AromaticContact CZ-CE2 3.58Å; Y121-Y125 WeakPolarHBondContact O-CD2 3.44Å; Y121-Y125 PolarHBondContact O-N 2.77Å; Y121-I127 HydrophobicContact CD1-CD1 3.66Å; Y121-I127 HydrophobicContact CE1-CD1 3.83Å
122R92.1Very high88.1Confident102 Ų10281.7 Ų81.739%0.38540%0.398SS..Hα-helixtrans-61-47.3174.6-178.4-174.4-177.5165.8-0.9111.1F33 L118 T119 N126 I127F33-R122 HydrophobicContact CE2-CB 4.01Å; F33-R122 HydrophobicContact CZ-CB 4.46Å; L118-R122 VanDerWaalsContact O-CB 3.28Å; L118-R122 WeakPolarHBondContact O-CB 3.18Å; L118-R122 PolarHBondContact O-N 3.24Å; T119-R122 WeakPolarHBondContact O-CB 3.4Å; T119-R122 PolarHBondContact O-N 2.87Å; R122-N126 WeakPolarHBondContact O-CA 3.45Å; R122-N126 PolarHBondContact O-N 3.23Å; R122-I127 HydrophobicContact CG-CB 4.08Å; R122-I127 WeakPolarHBondContact CG-O 3.45Å; R122-I127 PolarHBondContact NE-O 3.4Å; R122-I127 PolarHBondContact O-N 3.49Å
123E93.6Very high85.3Confident134 Ų13479 Ų7963%0.62640%0.401SS*.Hα-helixtrans-66.6-45.9179.8-71.5175.7-17400111.7T119 E120 Y125 N126T119-E123 WeakPolarHBondContact O-CG 3.3Å; T119-E123 PolarHBondContact O-N 3.47Å; E120-E123 PolarHBondContact O-N 2.97Å; E123-Y125 VanDerWaalsContact C-N 3.26Å; E123-Y125 PolarHBondContact O-N 2.95Å; E123-N126 PolarHBondContact O-N 3Å
124R94.2Very high82.7Confident164 Ų16487 Ų8762%0.61943%0.431SS*.Hα-helixtrans-58.5-35.2-178.4-176.2-178.5-60.5177.74.7113.7E120E120-R124 VanDerWaalsContact O-CB 3.23Å; E120-R124 WeakPolarHBondContact O-CB 3.49Å; E120-R124 PolarHBondContact O-N 3.34Å
125Y92.3Very high80.1Confident59 Ų5988.6 Ų88.623%0.23146%0.457CS..THydrogen-bonded Turntrans-114.516.3-177.4-63.3-77.3000113.3P24 V29 Y121 E123 I127P24-Y125 HydrophobicContact CG-CE1 3.96Å; P24-Y125 WeakPolarHBondContact CG-OH 3.41Å; V29-Y125 HydrophobicContact CB-CG 4.48Å; V29-Y125 VanDerWaalsContact CG1-CB 3.49Å; V29-Y125 HydrophobicContact CG1-CD1 4.05Å; V29-Y125 HydrophobicContact CG1-CD2 3.98Å; V29-Y125 HydrophobicContact CG1-CG 3.58Å; V29-Y125 HydrophobicContact CG2-CD1 3.64Å; V29-Y125 HydrophobicContact CG2-CD2 4.43Å; V29-Y125 HydrophobicContact CG2-CE1 3.76Å; V29-Y125 HydrophobicContact CG2-CG 4Å; Y121-Y125 HydrophobicContact CD1-CD2 4.04Å; Y121-Y125 HydrophobicContact CD2-CD2 4.13Å; Y121-Y125 AromaticContact CD2-CE2 3.9Å; Y121-Y125 HydrophobicContact CD2-CE2 3.9Å; Y121-Y125 AromaticContact CE1-CD2 3.81Å; Y121-Y125 HydrophobicContact CE1-CD2 3.81Å; Y121-Y125 HydrophobicContact CE1-CE2 4.16Å; Y121-Y125 AromaticContact CE2-CD2 3.91Å; Y121-Y125 HydrophobicContact CE2-CD2 3.91Å; Y121-Y125 AromaticContact CE2-CE2 3.44Å; Y121-Y125 HydrophobicContact CE2-CE2 3.44Å; Y121-Y125 VanDerWaalsContact CE2-CE2 3.44Å; Y121-Y125 HydrophobicContact CG-CD2 4.2Å; Y121-Y125 HydrophobicContact CG-CE2 4.43Å; Y121-Y125 AromaticContact CZ-CD2 3.73Å; Y121-Y125 AromaticContact CZ-CE2 3.58Å; Y121-Y125 WeakPolarHBondContact O-CD2 3.44Å; Y121-Y125 PolarHBondContact O-N 2.77Å; E123-Y125 VanDerWaalsContact C-N 3.26Å; E123-Y125 PolarHBondContact O-N 2.95Å; Y125-I127 PolarHBondContact O-N 3.4Å; Y125-I127 VanDerWaalsContact O-N 3.08Å
126N90.8Very high77.5Confident105 Ų10595.4 Ų95.456%0.56149%0.49SS*.THydrogen-bonded Turntrans4840.8178-66.790.9000113.8R122 E123 R128R122-N126 WeakPolarHBondContact O-CA 3.45Å; R122-N126 PolarHBondContact O-N 3.23Å; E123-N126 PolarHBondContact O-N 3Å; N126-R128 PolarHBondContact O-N 3.23Å
127I89.1Confident74.7Confident4 Ų493.6 Ų93.62%0.02150%0.497CS..  trans-70.3124.6-174.5-56.8-177.8000110V29 F33 Y121 R122 Y125 V159 L160 V161V29-I127 HydrophobicContact CG1-CD1 3.76Å; V29-I127 HydrophobicContact CG1-CG1 4.15Å; F33-I127 HydrophobicContact CB-CD1 3.68Å; F33-I127 HydrophobicContact CD1-CD1 4.26Å; F33-I127 HydrophobicContact CD1-CG2 3.98Å; F33-I127 HydrophobicContact CD2-CD1 3.81Å; F33-I127 HydrophobicContact CE1-CG2 4.01Å; F33-I127 HydrophobicContact CG-CD1 3.66Å; F33-I127 HydrophobicContact CG-CG2 4.41Å; F33-I127 HydrophobicContact CZ-CG2 4.48Å; Y121-I127 HydrophobicContact CD1-CD1 3.66Å; Y121-I127 HydrophobicContact CE1-CD1 3.83Å; R122-I127 HydrophobicContact CG-CB 4.08Å; R122-I127 WeakPolarHBondContact CG-O 3.45Å; R122-I127 PolarHBondContact NE-O 3.4Å; R122-I127 PolarHBondContact O-N 3.49Å; Y125-I127 PolarHBondContact O-N 3.4Å; Y125-I127 VanDerWaalsContact O-N 3.08Å; I127-V159 HydrophobicContact CG2-CG1 3.19Å; I127-L160 WeakPolarHBondContact CA-O 3.28Å; I127-V161 HydrophobicContact CG1-CG2 4.28Å
128R84.8Confident71.9Confident163 Ų16398.4 Ų98.462%0.61552%0.52SS*.EExtended strand (participates in β ladder)trans-107.4125.7174.7-60.8-174.8-174.7-164.20.9110.3N126 V130 V159 L160N126-R128 PolarHBondContact O-N 3.23Å; R128-V130 PolarHBondContact O-N 3.33Å; R128-V159 WeakPolarHBondContact O-CA 3.42Å; R128-L160 HydrophobicContact CB-CB 4.41Å; R128-L160 PolarHBondContact N-O 3.3Å; R128-L160 PolarHBondContact O-N 3.19Å
129L75.5Confident69Low17 Ų17101.5 Ų101.59%0.08955%0.554CS.*EExtended strand (participates in β ladder)trans-84.1105.7173.4-78.4158.4000108.9F33 G131 E132 G158 V159F33-L129 HydrophobicContact CE1-CD1 4.36Å; F33-L129 HydrophobicContact CE1-CD2 4.13Å; F33-L129 HydrophobicContact CE1-CG 4.3Å; F33-L129 HydrophobicContact CZ-CD1 4.39Å; L129-G131 PolarHBondContact O-N 3.23Å; L129-E132 WeakPolarHBondContact CD1-OE2 3.45Å; L129-E132 PolarHBondContact O-N 2.74Å; L129-G158 CarbonylContact C-O 3.55Å; L129-V159 HydrophobicContact CD2-CG2 4.01Å
130V64.5Low66.4Low75 Ų75107 Ų10746%0.45558%0.575SS.*EExtended strand (participates in β ladder)trans-74.1107.7172.1-171.60000108R128 A157 G158 L160R128-V130 PolarHBondContact O-N 3.33Å; V130-A157 CarbonylContact O-C 3.51Å; V130-A157 WeakPolarHBondContact O-CA 3.32Å; V130-G158 WeakPolarHBondContact CA-O 3.44Å; V130-G158 WeakPolarHBondContact CB-O 3.42Å; V130-G158 PolarHBondContact N-O 3.01Å; V130-G158 PolarHBondContact O-N 2.91Å; V130-L160 HydrophobicContact CG2-CB 4.32Å; V130-L160 HydrophobicContact CG2-CD1 3.24Å; V130-L160 HydrophobicContact CG2-CG 3.43Å; V130-L160 VanDerWaalsContact CG2-CG 3.43Å
131G60.1Low63.6Low69 Ų69107.1 Ų107.171%0.71159%0.588SS**THydrogen-bonded Turntrans135.6-17.1-173.800000113.2L129L129-G131 PolarHBondContact O-N 3.23Å
132E50.2Low60.9Low131 Ų131110.6 Ų110.661%0.61262%0.622SS**SBendtrans-99.576.7158-72.5173.1122.300106.7L129L129-E132 WeakPolarHBondContact CD1-OE2 3.45Å; L129-E132 PolarHBondContact O-N 2.74Å
133G38.3Very low58.5Low60 Ų60110.1 Ų110.162%0.61964%0.641SS**  trans-57.9140169.800000109.8G135G133-G135 PolarHBondContact O-N 3.07Å
134E43.3Very low56.3Low212 Ų212109.2 Ų109.299%0.99165%0.646SS**SBendtrans-0.193.6152.8-70.9154.596.500114.4
135G41.7Very low53.8Low69 Ų69107.4 Ų107.471%0.71166%0.659SS**  trans-1429.6-178.300000114.9G133G133-G135 PolarHBondContact O-N 3.07Å
136D40.9Very low50.8Low160 Ų160108.5 Ų108.586%0.85669%0.688SS**SBendtrans-139.141.7-177.7-112.5-44.3000113.5
137T39.2Very low48.5Very low127 Ų127110.6 Ų110.678%0.77970%0.699SS**SBendtrans-146112.4161.7-30.20000111.5
138Q37.7Very low45.9Very low191 Ų191116 Ų11689%0.89374%0.738SS**  trans86.1120.9164.9-70.9166.519.700118.8
139G33.7Very low43.6Very low76 Ų76117 Ų11778%0.78475%0.749SS**  trans-86.5-178.5-179.200000115.6
140Q40.1Very low41.5Very low191 Ų191120.1 Ų120.189%0.89379%0.785SS**  trans8493.1160-132.8166.383.400116.9
141S37.8Very low39.9Very low110 Ų110120 Ų12077%0.76980%0.8SS**  161.3132.9107.2-70.10000113.6
142A39.6Very low39.1Very low103 Ų103120.7 Ų120.785%0.85181%0.807SS**  trans44.6125149.200000122.3
143A40.4Very low38.5Very low93 Ų93120 Ų12077%0.76982%0.817SS**  trans-58.8171.7162.900000112.9
144P48.7Very low38.7Very low115 Ų115127.4 Ų127.475%0.74783%0.832SS**  cis-149.6169.431.140.9-17.9000120.1
145S40.4Very low38.5Very low125 Ų125123.5 Ų123.587%0.87483%0.828SS**  trans49.7124.1148.2-47.50000123
146G31.1Very low38.7Very low83 Ų83123.2 Ų123.286%0.85683%0.825SS**  trans-175.9110.4158.700000113.7
147N40.8Very low39.3Very low148 Ų148117.8 Ų117.879%0.79180%0.802SS**  trans-68.7132177.4177.186.3000112.6
148S34.9Very low40.2Very low118 Ų118113.2 Ų113.283%0.82578%0.781SS**  trans-163.1126.2153.5-111.60000113.2
149E35.9Very low41.8Very low183 Ų183105.1 Ų105.186%0.85574%0.744SS**  trans-56.2154.2166.8-79.8161.175.500113.8
150G32Very low43.7Very low83 Ų83106.4 Ų106.486%0.85673%0.733SS**  trans121.9121.9144.700000115.4
151G31.3Very low45.1Very low73 Ų7399.4 Ų99.475%0.75370%0.703SS**  trans128.984.815200000114.7S153G151-S153 PolarHBondContact O-N 2.92Å
152G43.9Very low46.2Very low84 Ų84100.3 Ų100.387%0.86671%0.709SS**  trans-56.6123.9158.700000109.8
153S36.3Very low46.5Very low117 Ų117100.2 Ų100.282%0.81870%0.702SS**  trans-141125.6165-82.40000108.7G151 S155G151-S153 PolarHBondContact O-N 2.92Å; S153-S155 PolarHBondContact O-N 3.17Å; S153-S155 VanDerWaalsContact O-N 3.11Å
154K44.1Very low46.9Very low214 Ų214100.5 Ų100.593%0.9370%0.698SS**  trans-45.4114.1-177.7-68.4170.6174.81750110.3G156K154-G156 PolarHBondContact O-N 3.22Å
155S38.7Very low46.8Very low130 Ų13099.7 Ų99.791%0.90970%0.696SS**  trans-71.270.1170.9174.10000110.1S153S153-S155 PolarHBondContact O-N 3.17Å; S153-S155 VanDerWaalsContact O-N 3.11Å
156G44.6Very low47.1Very low64 Ų6498.2 Ų98.266%0.6669%0.685SS**  trans-99.193.4161.800000107.5K154 G158K154-G156 PolarHBondContact O-N 3.22Å; G156-G158 PolarHBondContact O-N 3.07Å
157A53.3Low48.1Very low45 Ų4599.2 Ų99.237%0.37268%0.675SS.*  trans-55.2111.8173.400000108.8V130V130-A157 CarbonylContact O-C 3.51Å; V130-A157 WeakPolarHBondContact O-CA 3.32Å
158G59.9Low48.6Very low32 Ų3295.9 Ų95.933%0.3367%0.667SS.*EExtended strand (participates in β ladder)trans-69.2149.3177.300000109.5L129 V130 G156L129-G158 CarbonylContact C-O 3.55Å; V130-G158 WeakPolarHBondContact CA-O 3.44Å; V130-G158 WeakPolarHBondContact CB-O 3.42Å; V130-G158 PolarHBondContact N-O 3.01Å; V130-G158 PolarHBondContact O-N 2.91Å; G156-G158 PolarHBondContact O-N 3.07Å
159V70.4Confident49.6Very low21 Ų2194.4 Ų94.413%0.12766%0.656CS.*EExtended strand (participates in β ladder)trans-122.6120179.3-177.80000107.3V30 F33 Q34 I127 R128 L129V30-V159 HydrophobicContact CB-CG1 4.35Å; V30-V159 HydrophobicContact CG1-CB 3.71Å; V30-V159 HydrophobicContact CG1-CG1 3.93Å; V30-V159 HydrophobicContact CG1-CG2 4.43Å; V30-V159 HydrophobicContact CG2-CB 4.3Å; V30-V159 HydrophobicContact CG2-CG1 3.89Å; F33-V159 HydrophobicContact CD1-CG1 4.1Å; F33-V159 HydrophobicContact CD1-CG2 4.45Å; Q34-V159 HydrophobicContact CG-CG2 4.15Å; I127-V159 HydrophobicContact CG2-CG1 3.19Å; R128-V159 WeakPolarHBondContact O-CA 3.42Å; L129-V159 HydrophobicContact CD2-CG2 4.01Å
160L73.3Confident50.7Low102 Ų10287.5 Ų87.553%0.53464%0.64SS.*EExtended strand (participates in β ladder)trans-107.2141.8176.3-66.1169.3000109.9I127 R128 V130I127-L160 WeakPolarHBondContact CA-O 3.28Å; R128-L160 HydrophobicContact CB-CB 4.41Å; R128-L160 PolarHBondContact N-O 3.3Å; R128-L160 PolarHBondContact O-N 3.19Å; V130-L160 HydrophobicContact CG2-CB 4.32Å; V130-L160 HydrophobicContact CG2-CD1 3.24Å; V130-L160 HydrophobicContact CG2-CG 3.43Å; V130-L160 VanDerWaalsContact CG2-CG 3.43Å
161V70Confident52.2Low45 Ų4587.9 Ų87.927%0.27362%0.622SS.*  trans-114134.5172.2174.40000106.9A26 V29 V30 I127A26-V161 HydrophobicContact CB-CB 4.29Å; A26-V161 HydrophobicContact CB-CG1 4.27Å; V29-V161 HydrophobicContact CB-CG2 4.32Å; V29-V161 HydrophobicContact CG1-CG2 3.82Å; V30-V161 HydrophobicContact CG2-CG2 3.45Å; V30-V161 VanDerWaalsContact CG2-CG2 3.45Å; I127-V161 HydrophobicContact CG1-CG2 4.28Å
162S60.9Low54.1Low128 Ų12889.3 Ų89.390%0.89561%0.61SS**  trans-112.70179.9-61.50000111.7

Retrieved 162 of 162 residues in 81.3 ms (Link to these results)