A0A096NE69_PAPAN Loading...

Kelch-like protein 12

AlphaFold DB (Q53G59), UniProt , Accession A0A096NE69, Species PAPAN (Papio anubis, Olive baboon), Gene KLHL12, Length 568 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
1M42.2Very low62.9Low246 Ų246143.7 Ų143.7100%1.21282%0.824SS**  098.20-71.3178.4-170.100107.5G3M1-G3 PolarHBondContact O-N 3.12Å
2G47.8Very low63.9Low77 Ų77139.3 Ų139.379%0.79480%0.801SS**  trans-74.899.8174.500000108.7I4G2-I4 PolarHBondContact O-N 3.18Å; G2-I4 VanDerWaalsContact O-N 3.12Å
3G51.8Low64.9Low71 Ų71139.9 Ų139.973%0.73280%0.801SS**  trans-69.8103.5168.900000107.8M1 M5M1-G3 PolarHBondContact O-N 3.12Å; G3-M5 VanDerWaalsContact C-N 3.32Å; G3-M5 PolarHBondContact O-N 2.91Å
4I57.2Low66.2Low166 Ų166137.8 Ų137.885%0.85179%0.792SS**  trans-64.796.9172.6-58.5170.2000105.8G2 A6G2-I4 PolarHBondContact O-N 3.18Å; G2-I4 VanDerWaalsContact O-N 3.12Å; I4-A6 PolarHBondContact O-N 3.1Å; I4-A6 VanDerWaalsContact O-N 3.1Å
5M62.2Low67.6Low171 Ų171135.9 Ų135.984%0.84277%0.773SS**  trans-62.4113.6168.3-85179.5102.100106.7G3G3-M5 VanDerWaalsContact C-N 3.32Å; G3-M5 PolarHBondContact O-N 2.91Å
6A59.9Low68.8Low74 Ų74132.1 Ų132.161%0.61276%0.763SS**  trans-56.2136.617100000108.6I4 K8I4-A6 PolarHBondContact O-N 3.1Å; I4-A6 VanDerWaalsContact O-N 3.1Å; A6-K8 PolarHBondContact O-N 3.04Å
7P65.2Low69.9Low129 Ų129131.8 Ų131.884%0.83875%0.751SS**  trans-55.8131.9179.622-31.3000109.7
8K75.3Confident70.9Confident174 Ų174128.2 Ų128.276%0.75774%0.735SS**  trans-106.7122.9171.9-74.9-173175.9-174.90108A6 I10A6-K8 PolarHBondContact O-N 3.04Å; K8-I10 PolarHBondContact O-N 3.27Å
9D76.4Confident72Confident162 Ų162125 Ų12587%0.86671%0.714SS**  trans-74.5120.8165.9-66.1-35.6000108.6
10I80.7Confident73Confident145 Ų145120.8 Ų120.874%0.74469%0.689SS**  trans-102.8113.9179.5-63.3162000107.8K8K8-I10 PolarHBondContact O-N 3.27Å
11M73.4Confident73.9Confident166 Ų166118.7 Ų118.782%0.81868%0.676SS**  trans-84.4113.8173-63.5-173.7-161.200110.2N13M11-N13 PolarHBondContact O-N 3.2Å
12T74.4Confident76.3Confident90 Ų90110.1 Ų110.155%0.55264%0.641SS**  trans-86.989.817056.70000109T14 H15T12-T14 PolarHBondContact O-N 3.35Å; T12-H15 PolarHBondContact O-N 3.17Å; T12-H15 VanDerWaalsContact O-N 3.1Å; T12-H15 WeakPolarHBondContact OG1-CB 3.4Å
13N77Confident78.6Confident148 Ų148109.5 Ų109.579%0.79162%0.618SS**THydrogen-bonded Turntrans-56.1-13.6-177.2-68.4-12.6000114.5M11M11-N13 PolarHBondContact O-N 3.2Å
14T83.4Confident80.6Confident110 Ų110106.8 Ų106.868%0.67559%0.586SS**THydrogen-bonded Turntrans-91.1-16.6-178.654.50000114.4T12 S18T12-T14 PolarHBondContact O-N 3.35Å; T14-S18 PolarHBondContact O-N 3.03Å
15H87.2Confident82.4Confident110 Ų110102.5 Ų102.551%0.50957%0.571SS.*Hα-helixtrans-67-45.8-169.7-173.657.8000112.8T12 K17 S18 I19T12-H15 PolarHBondContact O-N 3.17Å; T12-H15 VanDerWaalsContact O-N 3.1Å; T12-H15 WeakPolarHBondContact OG1-CB 3.4Å; H15-K17 PolarHBondContact O-N 3.46Å; H15-S18 WeakPolarHBondContact O-CB 3.5Å; H15-S18 PolarHBondContact O-N 3.3Å; H15-I19 WeakPolarHBondContact NE2-CD1 3.39Å; H15-I19 WeakPolarHBondContact O-CG1 3.37Å; H15-I19 PolarHBondContact O-N 2.85Å
16A86.4Confident83.9Confident75 Ų7597.2 Ų97.262%0.6255%0.546SS*.Hα-helixtrans-59.8-4717900000112S18 I19 L20A16-S18 VanDerWaalsContact C-N 3.31Å; A16-S18 PolarHBondContact O-N 3.18Å; A16-I19 PolarHBondContact O-N 3.17Å; A16-L20 PolarHBondContact O-N 3.3Å
17K87.3Confident85.6Confident127 Ų12795 Ų9555%0.55252%0.522SS*.Hα-helixtrans-61.3-38.9176.8-171.2167-173.7162.20112.4H15 L20 N21H15-K17 PolarHBondContact O-N 3.46Å; K17-L20 PolarHBondContact O-N 3.22Å; K17-N21 WeakPolarHBondContact O-CB 3.29Å; K17-N21 VanDerWaalsContact O-CG 3.22Å; K17-N21 PolarHBondContact O-N 3.13Å; K17-N21 PolarHBondContact O-ND2 2.79Å
18S89.5Confident86.9Confident66 Ų6695.8 Ų95.846%0.46251%0.512SS..Hα-helixtrans-63.4-44.3175.5-172.60000112.2T14 H15 A16 N21 S22T14-S18 PolarHBondContact O-N 3.03Å; H15-S18 WeakPolarHBondContact O-CB 3.5Å; H15-S18 PolarHBondContact O-N 3.3Å; A16-S18 VanDerWaalsContact C-N 3.31Å; A16-S18 PolarHBondContact O-N 3.18Å; S18-N21 PolarHBondContact O-N 2.63Å; S18-S22 PolarHBondContact O-N 2.97Å; S18-S22 VanDerWaalsContact O-N 3.08Å; S18-S22 PolarHBondContact O-OG 2.96Å
19I91.5Very high87.8Confident68 Ų6890.9 Ų90.935%0.34950%0.499SS..Hα-helixtrans-61.6-46.6177.5-70.4171.1000110.1H15 A16 N21 S22 M23H15-I19 WeakPolarHBondContact NE2-CD1 3.39Å; H15-I19 WeakPolarHBondContact O-CG1 3.37Å; H15-I19 PolarHBondContact O-N 2.85Å; A16-I19 PolarHBondContact O-N 3.17Å; I19-N21 VanDerWaalsContact C-N 3.34Å; I19-N21 PolarHBondContact O-N 3.03Å; I19-S22 WeakPolarHBondContact O-CB 3.4Å; I19-S22 PolarHBondContact O-N 3.08Å; I19-S22 VanDerWaalsContact O-N 3.15Å; I19-M23 HydrophobicContact CG2-CE 3.49Å; I19-M23 VanDerWaalsContact CG2-CE 3.49Å; I19-M23 HydrophobicContact CG2-CG 4.33Å; I19-M23 HydrophobicContact CG2-SD 3.89Å; I19-M23 WeakPolarHBondContact O-CG 3.47Å; I19-M23 PolarHBondContact O-N 3.28Å
20L91.9Very high88.6Confident41 Ų4187.9 Ų87.922%0.21548%0.483CS..Hα-helixtrans-63.5-40.7-177.9-159.769.6000111.7A16 K17 S22 M23 N24 V50 Y92A16-L20 PolarHBondContact O-N 3.3Å; K17-L20 PolarHBondContact O-N 3.22Å; L20-S22 PolarHBondContact O-N 3.02Å; L20-M23 PolarHBondContact O-N 3.47Å; L20-N24 WeakPolarHBondContact O-CB 3.42Å; L20-N24 PolarHBondContact O-N 3.23Å; L20-V50 HydrophobicContact CD1-CG1 4.35Å; L20-Y92 VanDerWaalsContact CD2-C 3.49Å; L20-Y92 WeakPolarHBondContact CD2-O 3.39Å; L20-Y92 VanDerWaalsContact CG-O 3.29Å; L20-Y92 WeakPolarHBondContact CG-O 3.41Å
21N91.9Very high89.2Confident76 Ų7683.9 Ų83.941%0.40647%0.466SS..Hα-helixtrans-61.2-41.3173.1-74.2-22.1000112.8K17 S18 I19 N24 S25K17-N21 WeakPolarHBondContact O-CB 3.29Å; K17-N21 VanDerWaalsContact O-CG 3.22Å; K17-N21 PolarHBondContact O-N 3.13Å; K17-N21 PolarHBondContact O-ND2 2.79Å; S18-N21 PolarHBondContact O-N 2.63Å; I19-N21 VanDerWaalsContact C-N 3.34Å; I19-N21 PolarHBondContact O-N 3.03Å; N21-N24 PolarHBondContact O-N 2.98Å; N21-S25 PolarHBondContact O-N 3.47Å; N21-S25 PolarHBondContact O-OG 2.85Å
22S93.2Very high90.1Very high67 Ų6782.5 Ų82.547%0.46946%0.461SS..Hα-helixtrans-64-44.7173.9-63.10000111.7S18 I19 L20 N24 S25 L26S18-S22 PolarHBondContact O-N 2.97Å; S18-S22 VanDerWaalsContact O-N 3.08Å; S18-S22 PolarHBondContact O-OG 2.96Å; I19-S22 WeakPolarHBondContact O-CB 3.4Å; I19-S22 PolarHBondContact O-N 3.08Å; I19-S22 VanDerWaalsContact O-N 3.15Å; L20-S22 PolarHBondContact O-N 3.02Å; S22-N24 VanDerWaalsContact C-N 3.31Å; S22-N24 PolarHBondContact O-N 2.82Å; S22-S25 WeakPolarHBondContact O-CB 3.3Å; S22-S25 PolarHBondContact O-N 3.12Å; S22-S25 VanDerWaalsContact O-N 3.16Å; S22-L26 WeakPolarHBondContact O-CG 3.4Å; S22-L26 PolarHBondContact O-N 3.36Å
23M94.1Very high91.1Very high64 Ų6479.7 Ų79.732%0.31545%0.445SS..Hα-helixtrans-61.5-38.5175.8-70175.4173.500112.1I19 L20 S25 L26 R27 V50 Y92I19-M23 HydrophobicContact CG2-CE 3.49Å; I19-M23 VanDerWaalsContact CG2-CE 3.49Å; I19-M23 HydrophobicContact CG2-CG 4.33Å; I19-M23 HydrophobicContact CG2-SD 3.89Å; I19-M23 WeakPolarHBondContact O-CG 3.47Å; I19-M23 PolarHBondContact O-N 3.28Å; L20-M23 PolarHBondContact O-N 3.47Å; M23-S25 VanDerWaalsContact C-N 3.32Å; M23-S25 PolarHBondContact O-N 3.25Å; M23-L26 PolarHBondContact O-N 3.4Å; M23-R27 PolarHBondContact O-N 3.05Å; M23-V50 HydrophobicContact CG-CG2 4.5Å; M23-V50 HydrophobicContact SD-CG2 3.6Å; M23-V50 VanDerWaalsContact SD-CG2 3.6Å; M23-Y92 HydrophobicContact CB-CD1 4.11Å; M23-Y92 HydrophobicContact CB-CE1 4.01Å
24N94.6Very high91.9Very high13 Ų1376 Ų767%0.0743%0.425CS..Hα-helixtrans-64.9-38.9175.3-161.812.9000111.7L20 N21 S22 R27 K28 Y92 T93L20-N24 WeakPolarHBondContact O-CB 3.42Å; L20-N24 PolarHBondContact O-N 3.23Å; N21-N24 PolarHBondContact O-N 2.98Å; S22-N24 VanDerWaalsContact C-N 3.31Å; S22-N24 PolarHBondContact O-N 2.82Å; N24-R27 WeakPolarHBondContact O-CB 3.26Å; N24-R27 PolarHBondContact O-N 3.11Å; N24-R27 PolarHBondContact OD1-NE 2.85Å; N24-R27 PolarHBondContact OD1-NH2 2.97Å; N24-K28 WeakPolarHBondContact O-CG 3.34Å; N24-K28 PolarHBondContact O-N 3.01Å; N24-Y92 HydrophobicContact CB-CD1 4Å; N24-Y92 HydrophobicContact CB-CG 4.28Å; N24-T93 VanDerWaalsContact ND2-CG2 3.3Å; N24-T93 WeakPolarHBondContact ND2-CG2 3.49Å
25S94.6Very high92.4Very high76 Ų7670.9 Ų70.953%0.53139%0.394SS..Hα-helixtrans-65.1-42.9178.2-56.60000111N21 S22 M23 K28 S29N21-S25 PolarHBondContact O-N 3.47Å; N21-S25 PolarHBondContact O-OG 2.85Å; S22-S25 WeakPolarHBondContact O-CB 3.3Å; S22-S25 PolarHBondContact O-N 3.12Å; S22-S25 VanDerWaalsContact O-N 3.16Å; M23-S25 VanDerWaalsContact C-N 3.32Å; M23-S25 PolarHBondContact O-N 3.25Å; S25-K28 PolarHBondContact O-N 3.21Å; S25-S29 PolarHBondContact O-N 3.03Å; S25-S29 VanDerWaalsContact O-N 3.1Å; S25-S29 PolarHBondContact O-OG 3.46Å
26L95Very high92.7Very high60 Ų6066.9 Ų66.931%0.31438%0.377SS..Hα-helixtrans-62.6-41.3173.9-67.7170.5000112.1S22 M23 S29 N30 T31 L32S22-L26 WeakPolarHBondContact O-CG 3.4Å; S22-L26 PolarHBondContact O-N 3.36Å; M23-L26 PolarHBondContact O-N 3.4Å; L26-S29 CarbonylContact O-C 3.54Å; L26-S29 PolarHBondContact O-N 3.4Å; L26-S29 PolarHBondContact O-OG 3.39Å; L26-S29 VanDerWaalsContact O-OG 3.08Å; L26-N30 PolarHBondContact O-N 2.74Å; L26-N30 VanDerWaalsContact O-N 3.13Å; L26-T31 HydrophobicContact CD2-CG2 3.93Å; L26-T31 PolarHBondContact O-N 2.99Å; L26-L32 HydrophobicContact CD1-CD1 4.4Å
27R94.7Very high93.1Very high28 Ų2863.3 Ų63.311%0.10635%0.347CS..Hα-helixtrans-58.9-49.7174.6-177.1-17062.6107-8.2111.2M23 N24 S29 N30 P45 D89 Y92M23-R27 PolarHBondContact O-N 3.05Å; N24-R27 WeakPolarHBondContact O-CB 3.26Å; N24-R27 PolarHBondContact O-N 3.11Å; N24-R27 PolarHBondContact OD1-NE 2.85Å; N24-R27 PolarHBondContact OD1-NH2 2.97Å; R27-S29 VanDerWaalsContact C-N 3.25Å; R27-S29 PolarHBondContact O-N 3.31Å; R27-N30 WeakPolarHBondContact O-CA 3.16Å; R27-N30 PolarHBondContact O-N 2.88Å; R27-P45 WeakPolarHBondContact CG-O 3.41Å; R27-D89 IonicContact CZ-OD1 3.2Å; R27-D89 IonicContact NH2-OD1 3.48Å; R27-D89 PolarHBondContact NH2-OD1 2.9Å; R27-Y92 HydrophobicContact CB-CE1 4.09Å
28K93.1Very high93.5Very high146 Ų14660.8 Ų60.864%0.63533%0.334SS*.Hα-helixtrans-63.6-29.6-179.6-72.3-176.6179.5-172.60112.8N24 S25 N30N24-K28 WeakPolarHBondContact O-CG 3.34Å; N24-K28 PolarHBondContact O-N 3.01Å; S25-K28 PolarHBondContact O-N 3.21Å; K28-N30 VanDerWaalsContact C-N 3.31Å
29S94.4Very high93.8Very high70 Ų7057.7 Ų57.749%0.4931%0.313SS..THydrogen-bonded Turntrans-88.48.4172.166.10000114S25 L26 R27 T31S25-S29 PolarHBondContact O-N 3.03Å; S25-S29 VanDerWaalsContact O-N 3.1Å; S25-S29 PolarHBondContact O-OG 3.46Å; L26-S29 CarbonylContact O-C 3.54Å; L26-S29 PolarHBondContact O-N 3.4Å; L26-S29 PolarHBondContact O-OG 3.39Å; L26-S29 VanDerWaalsContact O-OG 3.08Å; R27-S29 VanDerWaalsContact C-N 3.25Å; R27-S29 PolarHBondContact O-N 3.31Å; S29-T31 PolarHBondContact O-N 3.21Å; S29-T31 VanDerWaalsContact O-N 3.17Å; S29-T31 PolarHBondContact O-OG1 3.43Å; S29-T31 WeakPolarHBondContact OG-CB 3.47Å; S29-T31 PolarHBondContact OG-OG1 3.47Å
30N93.5Very high93.8Very high99 Ų9960.6 Ų60.653%0.52933%0.325SS..THydrogen-bonded Turntrans49.638.9-176.1-164.816.9000113.1L26 R27 K28 P45L26-N30 PolarHBondContact O-N 2.74Å; L26-N30 VanDerWaalsContact O-N 3.13Å; R27-N30 WeakPolarHBondContact O-CA 3.16Å; R27-N30 PolarHBondContact O-N 2.88Å; K28-N30 VanDerWaalsContact C-N 3.31Å; N30-P45 WeakPolarHBondContact OD1-CB 3.2Å
31T92.5Very high93.6Very high61 Ų6166.7 Ų66.737%0.37435%0.352SS..  trans-108.1127.9-174.3-55.40000109L26 S29 C33 H47L26-T31 HydrophobicContact CD2-CG2 3.93Å; L26-T31 PolarHBondContact O-N 2.99Å; S29-T31 PolarHBondContact O-N 3.21Å; S29-T31 VanDerWaalsContact O-N 3.17Å; S29-T31 PolarHBondContact O-OG1 3.43Å; S29-T31 WeakPolarHBondContact OG-CB 3.47Å; S29-T31 PolarHBondContact OG-OG1 3.47Å; T31-C33 PolarHBondContact O-N 3.02Å; T31-H47 PolarHBondContact O-NE2 2.93Å
32L92.7Very high93.8Very high138 Ų13867.2 Ų67.272%0.72335%0.351SS*.SBendtrans638.1-176.1-57.4172.8000115.8L26 D34 H47L26-L32 HydrophobicContact CD1-CD1 4.4Å; L32-D34 PolarHBondContact O-N 3.46Å; L32-H47 PolarHBondContact O-CD2 3.36Å
33C93.7Very high93.9Very high31 Ų3167.3 Ų67.321%0.20935%0.346CS..  trans-62.4125.2169.8-61.40000110.3T31 P45 A46T31-C33 PolarHBondContact O-N 3.02Å; C33-P45 HydrophobicContact CB-CB 3.97Å; C33-A46 WeakPolarHBondContact CA-O 3.19Å; C33-A46 WeakPolarHBondContact CB-O 3.47Å
34D93.8Very high94Very high71 Ų7164.8 Ų64.838%0.3833%0.334SS..  trans-111.12.1-177.566.4-22000113.1L32 A46 H47 R48L32-D34 PolarHBondContact O-N 3.46Å; D34-A46 PolarHBondContact N-O 2.84Å; D34-H47 VanDerWaalsContact OD1-CA 3.28Å; D34-H47 WeakPolarHBondContact OD1-CA 3.46Å; D34-R48 PolarHBondContact O-NH1 3.3Å; D34-R48 PolarHBondContact OD1-N 3.33Å; D34-R48 WeakPolarHBondContact OD2-CB 3.39Å; D34-R48 IonicContact OD2-NH1 3.92Å
35V94Very high94.1Very high2 Ų265.9 Ų65.91%0.01234%0.341CS..EExtended strand (participates in β ladder)trans-148.7146.8172.865.70000111L37 A46 R48 L51 F62 V74V35-L37 HydrophobicContact CG2-CD2 4.16Å; V35-A46 HydrophobicContact CG1-CB 4.26Å; V35-A46 PolarHBondContact N-O 3.02Å; V35-A46 PolarHBondContact O-N 3.25Å; V35-A46 VanDerWaalsContact O-O 3.05Å; V35-R48 HydrophobicContact CB-CG 3.8Å; V35-R48 HydrophobicContact CG1-CG 3.67Å; V35-L51 HydrophobicContact CG1-CD1 3.99Å; V35-F62 HydrophobicContact CG1-CZ 4.39Å; V35-F62 HydrophobicContact CG2-CE1 4.37Å; V35-F62 HydrophobicContact CG2-CZ 4.3Å; V35-V74 HydrophobicContact CG2-CB 4.5Å; V35-V74 HydrophobicContact CG2-CG2 3.8Å
36T95.4Very high94.1Very high25 Ų2562.2 Ų62.215%0.15332%0.316CS..EExtended strand (participates in β ladder)trans-118119.1170.5-60.10000108.9D43 P72 Y73 V74T36-D43 HydrophobicContact CG2-CB 3.63Å; T36-P72 PolarHBondContact N-O 3.19Å; T36-Y73 HydrophobicContact CG2-CD1 3.95Å; T36-Y73 HydrophobicContact CG2-CE1 4.04Å; T36-Y73 WeakPolarHBondContact O-CA 3.3Å; T36-V74 PolarHBondContact O-N 2.75Å
37L94.9Very high94.2Very high0 Ų060.2 Ų60.20%030%0.304CS..EExtended strand (participates in β ladder)trans-85.5127.9174.2-50.7-179000108.7V35 F44 L51 F58 V74 I76 M84 L88V35-L37 HydrophobicContact CG2-CD2 4.16Å; L37-F44 HydrophobicContact CB-CB 4.29Å; L37-F44 PolarHBondContact N-O 3.4Å; L37-F44 PolarHBondContact O-N 3.46Å; L37-L51 HydrophobicContact CD1-CD1 3.99Å; L37-L51 HydrophobicContact CD1-CD2 4.35Å; L37-L51 HydrophobicContact CD2-CD1 4.25Å; L37-L51 HydrophobicContact CG-CD1 4.39Å; L37-F58 HydrophobicContact CD1-CE1 4.27Å; L37-F58 HydrophobicContact CD1-CZ 3.97Å; L37-F58 HydrophobicContact CD2-CE1 4.31Å; L37-V74 CarbonylContact C-O 3.51Å; L37-V74 WeakPolarHBondContact CA-O 3.41Å; L37-V74 HydrophobicContact CD2-CB 4.04Å; L37-V74 HydrophobicContact CD2-CG1 4.45Å; L37-I76 HydrophobicContact CB-CD1 4.01Å; L37-I76 HydrophobicContact CD1-CD1 3.81Å; L37-I76 HydrophobicContact CD2-CD1 3.96Å; L37-I76 HydrophobicContact CG-CD1 4.13Å; L37-M84 HydrophobicContact CD1-CE 4.33Å; L37-M84 HydrophobicContact CD1-SD 4.16Å; L37-L88 HydrophobicContact CD1-CD2 4.26Å
38R95Very high94.1Very high74 Ų7461.4 Ų61.428%0.27931%0.309SS..EExtended strand (participates in β ladder)trans-108.1123.9177.9-179171.7-66.8153.71.2110.3K42 D43 V74 D75 I76R38-K42 WeakPolarHBondContact CA-O 3.28Å; R38-D43 IonicContact CZ-OD1 3.53Å; R38-D43 IonicContact NE-OD1 2.9Å; R38-D43 PolarHBondContact NE-OD1 3.42Å; R38-D43 IonicContact NH2-OD1 3.32Å; R38-D43 PolarHBondContact NH2-OD1 3.43Å; R38-D43 IonicContact NH2-OD2 3.32Å; R38-D43 PolarHBondContact NH2-OD2 2.93Å; R38-V74 PolarHBondContact N-O 3.45Å; R38-D75 WeakPolarHBondContact CB-OD1 3.4Å; R38-D75 WeakPolarHBondContact CD-OD1 3.43Å; R38-I76 PolarHBondContact O-N 2.8Å
39V95.1Very high94.1Very high1 Ų160.3 Ų60.31%0.00631%0.309CS..EExtended strand (participates in β ladder)trans-135.9123.4-179.5-179.30000108.1Q41 K42 F44 I76 L79 A81 M84V39-Q41 PolarHBondContact O-N 2.89Å; V39-Q41 VanDerWaalsContact O-N 3.11Å; V39-K42 PolarHBondContact N-O 3.03Å; V39-K42 WeakPolarHBondContact O-CA 3.37Å; V39-K42 WeakPolarHBondContact O-CB 3.24Å; V39-K42 PolarHBondContact O-N 3.49Å; V39-F44 HydrophobicContact CB-CD2 4.46Å; V39-F44 HydrophobicContact CB-CE2 4.02Å; V39-F44 HydrophobicContact CG2-CD2 4.45Å; V39-F44 HydrophobicContact CG2-CE2 4.4Å; V39-I76 HydrophobicContact CG2-CB 4.05Å; V39-L79 HydrophobicContact CB-CD1 4.41Å; V39-L79 HydrophobicContact CG1-CD1 3.57Å; V39-L79 HydrophobicContact CG1-CG 4.35Å; V39-L79 WeakPolarHBondContact CG1-O 3.44Å; V39-L79 HydrophobicContact CG2-CD1 3.94Å; V39-A81 HydrophobicContact CG1-CB 4.44Å; V39-M84 HydrophobicContact CB-CB 4.45Å; V39-M84 HydrophobicContact CG1-CB 4.47Å; V39-M84 HydrophobicContact CG2-CB 4.06Å; V39-M84 HydrophobicContact CG2-CE 3.73Å; V39-M84 HydrophobicContact CG2-CG 3.89Å
40E91.8Very high94.2Very high129 Ų12957.5 Ų57.560%0.60329%0.289SS*.THydrogen-bonded Turntrans46.741.5-178.3-60.3-174.4126.900114.2K42 T80 A81E40-K42 PolarHBondContact O-N 3.16Å; E40-T80 WeakPolarHBondContact OE2-CA 3.48Å; E40-A81 HydrophobicContact CB-CB 4.38Å; E40-A81 PolarHBondContact OE2-N 3.15Å
41Q88.4Confident94.2Very high169 Ų16952.9 Ų52.979%0.7926%0.264SS*.THydrogen-bonded Turntrans67.46.9-176.3-47-62.3-26.700115.8V39V39-Q41 PolarHBondContact O-N 2.89Å; V39-Q41 VanDerWaalsContact O-N 3.11Å
42K95.3Very high94.3Very high87 Ų8750.9 Ų50.938%0.37825%0.254SS..EExtended strand (participates in β ladder)trans-95.8131.9168.7-171.7171.1168.6-1690109.7R38 V39 E40 F44 A81 E85R38-K42 WeakPolarHBondContact CA-O 3.28Å; V39-K42 PolarHBondContact N-O 3.03Å; V39-K42 WeakPolarHBondContact O-CA 3.37Å; V39-K42 WeakPolarHBondContact O-CB 3.24Å; V39-K42 PolarHBondContact O-N 3.49Å; E40-K42 PolarHBondContact O-N 3.16Å; K42-F44 HydrophobicContact CB-CE2 3.8Å; K42-F44 HydrophobicContact CB-CZ 4.2Å; K42-F44 HydrophobicContact CD-CE1 4.2Å; K42-F44 HydrophobicContact CD-CE2 4.05Å; K42-F44 HydrophobicContact CD-CZ 3.54Å; K42-F44 HydrophobicContact CG-CD2 4.44Å; K42-F44 HydrophobicContact CG-CE1 4.44Å; K42-F44 HydrophobicContact CG-CE2 3.71Å; K42-F44 HydrophobicContact CG-CZ 3.73Å; K42-F44 WeakPolarHBondContact O-CD2 3.43Å; K42-A81 HydrophobicContact CB-CB 4.07Å; K42-A81 HydrophobicContact CD-CB 4.07Å; K42-E85 IonicContact NZ-OE2 3.48Å; K42-E85 PolarHBondContact NZ-OE2 2.97Å
43D95.3Very high94.3Very high69 Ų6948.5 Ų48.537%0.36925%0.254SS..EExtended strand (participates in β ladder)trans-96.6130.8-179.2-79-0.7000110.3T36 R38T36-D43 HydrophobicContact CG2-CB 3.63Å; R38-D43 IonicContact CZ-OD1 3.53Å; R38-D43 IonicContact NE-OD1 2.9Å; R38-D43 PolarHBondContact NE-OD1 3.42Å; R38-D43 IonicContact NH2-OD1 3.32Å; R38-D43 PolarHBondContact NH2-OD1 3.43Å; R38-D43 IonicContact NH2-OD2 3.32Å; R38-D43 PolarHBondContact NH2-OD2 2.93Å
44F96.1Very high94.3Very high12 Ų1249.4 Ų49.45%0.05326%0.26CS..EExtended strand (participates in β ladder)trans-121.998.4-179.5-62.9-93.1000110.4L37 V39 K42 A81 M84 E85 L88L37-F44 HydrophobicContact CB-CB 4.29Å; L37-F44 PolarHBondContact N-O 3.4Å; L37-F44 PolarHBondContact O-N 3.46Å; V39-F44 HydrophobicContact CB-CD2 4.46Å; V39-F44 HydrophobicContact CB-CE2 4.02Å; V39-F44 HydrophobicContact CG2-CD2 4.45Å; V39-F44 HydrophobicContact CG2-CE2 4.4Å; K42-F44 HydrophobicContact CB-CE2 3.8Å; K42-F44 HydrophobicContact CB-CZ 4.2Å; K42-F44 HydrophobicContact CD-CE1 4.2Å; K42-F44 HydrophobicContact CD-CE2 4.05Å; K42-F44 HydrophobicContact CD-CZ 3.54Å; K42-F44 HydrophobicContact CG-CD2 4.44Å; K42-F44 HydrophobicContact CG-CE1 4.44Å; K42-F44 HydrophobicContact CG-CE2 3.71Å; K42-F44 HydrophobicContact CG-CZ 3.73Å; K42-F44 WeakPolarHBondContact O-CD2 3.43Å; F44-A81 HydrophobicContact CE2-CB 4.34Å; F44-A81 HydrophobicContact CZ-CB 4.15Å; F44-A81 VanDerWaalsContact CZ-O 3.24Å; F44-A81 WeakPolarHBondContact CZ-O 3.34Å; F44-M84 HydrophobicContact CD1-CG 4.11Å; F44-M84 HydrophobicContact CD2-CG 3.78Å; F44-M84 HydrophobicContact CE1-CB 4.4Å; F44-M84 HydrophobicContact CE1-CG 4.17Å; F44-M84 HydrophobicContact CE2-CB 4.1Å; F44-M84 HydrophobicContact CE2-CG 3.86Å; F44-M84 HydrophobicContact CG-CG 3.91Å; F44-M84 HydrophobicContact CZ-CB 4.03Å; F44-M84 HydrophobicContact CZ-CG 4.04Å; F44-E85 HydrophobicContact CE1-CB 4.02Å; F44-L88 HydrophobicContact CB-CD1 3.5Å; F44-L88 HydrophobicContact CD1-CD1 3.65Å; F44-L88 HydrophobicContact CG-CD1 3.8Å
45P96.2Very high94.3Very high35 Ų3546.1 Ų46.123%0.22724%0.243CC..EExtended strand (participates in β ladder)trans-63.9136.4174.1-20.532.6000111.6R27 N30 C33R27-P45 WeakPolarHBondContact CG-O 3.41Å; N30-P45 WeakPolarHBondContact OD1-CB 3.2Å; C33-P45 HydrophobicContact CB-CB 3.97Å
46A96.1Very high94.3Very high0 Ų049.7 Ų49.70%026%0.262CS..EExtended strand (participates in β ladder)trans-151.8172.4-179.500000112.1C33 D34 V35 L51 L88C33-A46 WeakPolarHBondContact CA-O 3.19Å; C33-A46 WeakPolarHBondContact CB-O 3.47Å; D34-A46 PolarHBondContact N-O 2.84Å; V35-A46 HydrophobicContact CG1-CB 4.26Å; V35-A46 PolarHBondContact N-O 3.02Å; V35-A46 PolarHBondContact O-N 3.25Å; V35-A46 VanDerWaalsContact O-O 3.05Å; A46-L51 HydrophobicContact CB-CD1 3.81Å; A46-L51 HydrophobicContact CB-CG 4.25Å; A46-L88 HydrophobicContact CB-CD2 4.42Å
47H95.8Very high94.2Very high17 Ų1752 Ų528%0.07927%0.268CS..  trans-105.6122.7174.4-52.492.1000109.9T31 L32 D34 I49 V50 L51 Y92T31-H47 PolarHBondContact O-NE2 2.93Å; L32-H47 PolarHBondContact O-CD2 3.36Å; D34-H47 VanDerWaalsContact OD1-CA 3.28Å; D34-H47 WeakPolarHBondContact OD1-CA 3.46Å; H47-I49 VanDerWaalsContact C-N 3.26Å; H47-I49 HydrophobicContact CB-CG2 4.39Å; H47-I49 PolarHBondContact O-N 3.32Å; H47-V50 HydrophobicContact CB-CB 4.23Å; H47-V50 HydrophobicContact CB-CG2 3.81Å; H47-V50 PolarHBondContact O-N 2.89Å; H47-V50 VanDerWaalsContact O-N 3.12Å; H47-L51 PolarHBondContact O-N 2.98Å; H47-L51 VanDerWaalsContact O-N 3.11Å; H47-Y92 PolarHBondContact N-OH 3.16Å; H47-Y92 AromaticContact ND1-CE1 3.67Å; H47-Y92 AromaticContact ND1-CZ 3.69Å; H47-Y92 PolarHBondContact ND1-OH 2.97Å
48R93.8Very high94.2Very high53 Ų5352.1 Ų52.120%0.227%0.269CS..Hα-helixtrans-54.2-42179.9-72.2-176.1175.9123.6-3.8112.5D34 V35 V50 L51 A52 F62 K71D34-R48 PolarHBondContact O-NH1 3.3Å; D34-R48 PolarHBondContact OD1-N 3.33Å; D34-R48 WeakPolarHBondContact OD2-CB 3.39Å; D34-R48 IonicContact OD2-NH1 3.92Å; V35-R48 HydrophobicContact CB-CG 3.8Å; V35-R48 HydrophobicContact CG1-CG 3.67Å; R48-V50 VanDerWaalsContact C-N 3.35Å; R48-V50 PolarHBondContact O-N 3.07Å; R48-L51 PolarHBondContact O-N 3.32Å; R48-A52 VanDerWaalsContact O-CB 3.26Å; R48-A52 WeakPolarHBondContact O-CB 3.44Å; R48-A52 PolarHBondContact O-N 3.13Å; R48-F62 HydrophobicContact CB-CD2 3.86Å; R48-F62 HydrophobicContact CB-CE2 4.1Å; R48-F62 HydrophobicContact CB-CG 4.25Å; R48-F62 HydrophobicContact CG-CD1 4.19Å; R48-F62 HydrophobicContact CG-CD2 4.01Å; R48-F62 HydrophobicContact CG-CE1 4.19Å; R48-F62 HydrophobicContact CG-CE2 4Å; R48-F62 HydrophobicContact CG-CG 4.12Å; R48-F62 HydrophobicContact CG-CZ 4.1Å; R48-K71 PolarHBondContact NH2-O 3.1Å
49I93.3Very high94.1Very high124 Ų12450.7 Ų50.764%0.63627%0.269SS*.Hα-helixtrans-64-39.3-178.8-171.859.4000112.3H47 A53H47-I49 VanDerWaalsContact C-N 3.26Å; H47-I49 HydrophobicContact CB-CG2 4.39Å; H47-I49 PolarHBondContact O-N 3.32Å; I49-A53 VanDerWaalsContact O-CB 3.24Å; I49-A53 WeakPolarHBondContact O-CB 3.47Å; I49-A53 PolarHBondContact O-N 3.1Å
50V94.7Very high93.9Very high11 Ų1153 Ų537%0.06729%0.288CS..Hα-helixtrans-70.4-43179.4-176.40000109.9L20 M23 H47 R48 A53 C54 V91 Y92L20-V50 HydrophobicContact CD1-CG1 4.35Å; M23-V50 HydrophobicContact CG-CG2 4.5Å; M23-V50 HydrophobicContact SD-CG2 3.6Å; M23-V50 VanDerWaalsContact SD-CG2 3.6Å; H47-V50 HydrophobicContact CB-CB 4.23Å; H47-V50 HydrophobicContact CB-CG2 3.81Å; H47-V50 PolarHBondContact O-N 2.89Å; H47-V50 VanDerWaalsContact O-N 3.12Å; R48-V50 VanDerWaalsContact C-N 3.35Å; R48-V50 PolarHBondContact O-N 3.07Å; V50-A53 PolarHBondContact O-N 3.29Å; V50-C54 PolarHBondContact O-N 2.6Å; V50-V91 HydrophobicContact CG1-CG1 3.74Å; V50-Y92 HydrophobicContact CB-CE1 4.2Å; V50-Y92 HydrophobicContact CG1-CD1 4.19Å; V50-Y92 HydrophobicContact CG1-CD2 4.41Å; V50-Y92 HydrophobicContact CG1-CE1 3.83Å; V50-Y92 HydrophobicContact CG1-CE2 4.03Å; V50-Y92 HydrophobicContact CG1-CG 4.49Å; V50-Y92 HydrophobicContact CG2-CE1 4.11Å
51L95.2Very high93.8Very high1 Ų147.4 Ų47.41%0.00526%0.263CS..Hα-helixtrans-60.8-49.3175.2-68173.7000111.7V35 L37 A46 H47 R48 A53 C54 S55 F58 F62 L88 V91V35-L51 HydrophobicContact CG1-CD1 3.99Å; L37-L51 HydrophobicContact CD1-CD1 3.99Å; L37-L51 HydrophobicContact CD1-CD2 4.35Å; L37-L51 HydrophobicContact CD2-CD1 4.25Å; L37-L51 HydrophobicContact CG-CD1 4.39Å; A46-L51 HydrophobicContact CB-CD1 3.81Å; A46-L51 HydrophobicContact CB-CG 4.25Å; H47-L51 PolarHBondContact O-N 2.98Å; H47-L51 VanDerWaalsContact O-N 3.11Å; R48-L51 PolarHBondContact O-N 3.32Å; L51-A53 VanDerWaalsContact C-N 3.3Å; L51-A53 PolarHBondContact O-N 2.85Å; L51-C54 PolarHBondContact O-N 2.9Å; L51-S55 WeakPolarHBondContact O-CB 3.47Å; L51-S55 PolarHBondContact O-N 3.08Å; L51-F58 HydrophobicContact CB-CB 3.85Å; L51-F58 HydrophobicContact CB-CD2 3.84Å; L51-F58 HydrophobicContact CB-CG 3.84Å; L51-F58 HydrophobicContact CD2-CD2 3.96Å; L51-F58 HydrophobicContact CD2-CE2 3.9Å; L51-F58 HydrophobicContact CD2-CZ 4.46Å; L51-F58 HydrophobicContact CG-CD2 4.37Å; L51-F62 HydrophobicContact CB-CE2 4.01Å; L51-F62 HydrophobicContact CD1-CE2 3.96Å; L51-F62 HydrophobicContact CD1-CZ 4.22Å; L51-L88 HydrophobicContact CD2-CD2 3.82Å; L51-V91 HydrophobicContact CD2-CG1 4.37Å
52A93.5Very high93.9Very high19 Ų1940.2 Ų40.216%0.15723%0.229CC..Hα-helixtrans-65.1-31.4179.300000113.2R48 C54 C59 F62R48-A52 VanDerWaalsContact O-CB 3.26Å; R48-A52 WeakPolarHBondContact O-CB 3.44Å; R48-A52 PolarHBondContact O-N 3.13Å; A52-C54 VanDerWaalsContact C-N 3.34Å; A52-C59 HydrophobicContact CB-CB 4.16Å; A52-C59 WeakPolarHBondContact O-CB 3.47Å; A52-F62 HydrophobicContact CB-CD2 4.44Å
53A93.4Very high93.5Very high88 Ų8840.2 Ų40.273%0.72724%0.236SC*.Hα-helixtrans-71.5-27.9177.300000113.1I49 V50 L51I49-A53 VanDerWaalsContact O-CB 3.24Å; I49-A53 WeakPolarHBondContact O-CB 3.47Å; I49-A53 PolarHBondContact O-N 3.1Å; V50-A53 PolarHBondContact O-N 3.29Å; L51-A53 VanDerWaalsContact C-N 3.3Å; L51-A53 PolarHBondContact O-N 2.85Å
54C93.1Very high92.8Very high51 Ų5138.9 Ų38.935%0.34523%0.232SC..Hα-helixtrans-100.3-22.6-175.8-1680000113.5V50 L51 A52 V91V50-C54 PolarHBondContact O-N 2.6Å; L51-C54 PolarHBondContact O-N 2.9Å; A52-C54 VanDerWaalsContact C-N 3.34Å; C54-V91 HydrophobicContact CB-CG1 4.16Å; C54-V91 HydrophobicContact CB-CG2 4.31Å
55S95.1Very high91.9Very high1 Ų147.8 Ų47.81%0.00727%0.274CS..  trans-135.3122.1-171.7162.10000111.5L51 Y57 F58 C59 L113L51-S55 WeakPolarHBondContact O-CB 3.47Å; L51-S55 PolarHBondContact O-N 3.08Å; S55-Y57 PolarHBondContact O-N 2.89Å; S55-Y57 PolarHBondContact OG-N 2.96Å; S55-F58 PolarHBondContact O-N 3.43Å; S55-F58 WeakPolarHBondContact OG-CD2 3.47Å; S55-F58 PolarHBondContact OG-N 3.31Å; S55-C59 WeakPolarHBondContact O-CB 3.42Å; S55-C59 PolarHBondContact O-N 2.88Å; S55-L113 WeakPolarHBondContact CB-O 3.27Å; S55-L113 PolarHBondContact OG-O 3.41Å
56D93.7Very high90.9Very high78 Ų7850.3 Ų50.342%0.41729%0.285SS..Hα-helixtrans-62.1-31.6175.5-71.3-29.8000111.4C59 A60 Q114 K116D56-C59 PolarHBondContact O-N 3.46Å; D56-A60 WeakPolarHBondContact O-CB 3.44Å; D56-A60 PolarHBondContact O-N 3.24Å; D56-Q114 HydrophobicContact CB-CB 4.35Å; D56-K116 IonicContact OD2-NZ 3.31Å; D56-K116 PolarHBondContact OD2-NZ 3.28Å
57Y93.5Very high89.8Confident72 Ų7254 Ų5428%0.28231%0.311SS..Hα-helixtrans-61.4-51173.4172.8-96000112S55 A60 M61 L113S55-Y57 PolarHBondContact O-N 2.89Å; S55-Y57 PolarHBondContact OG-N 2.96Å; Y57-A60 PolarHBondContact O-N 3.2Å; Y57-M61 HydrophobicContact CD1-CE 4.09Å; Y57-M61 HydrophobicContact CE1-CE 3.2Å; Y57-M61 HydrophobicContact CE2-CE 4.31Å; Y57-M61 WeakPolarHBondContact O-CB 3.22Å; Y57-M61 PolarHBondContact O-N 2.83Å; Y57-M61 WeakPolarHBondContact OH-CE 3.13Å; Y57-L113 HydrophobicContact CD1-CD2 3.68Å; Y57-L113 HydrophobicContact CE1-CD2 3.67Å; Y57-L113 HydrophobicContact CG-CD2 4.45Å
58F93.8Very high88.9Confident3 Ų355.6 Ų55.61%0.01332%0.318CS..Hα-helixtrans-69.9-34.7177.4-71-54.3000112.2L37 L51 S55 M61 F62 I76 L113L37-F58 HydrophobicContact CD1-CE1 4.27Å; L37-F58 HydrophobicContact CD1-CZ 3.97Å; L37-F58 HydrophobicContact CD2-CE1 4.31Å; L51-F58 HydrophobicContact CB-CB 3.85Å; L51-F58 HydrophobicContact CB-CD2 3.84Å; L51-F58 HydrophobicContact CB-CG 3.84Å; L51-F58 HydrophobicContact CD2-CD2 3.96Å; L51-F58 HydrophobicContact CD2-CE2 3.9Å; L51-F58 HydrophobicContact CD2-CZ 4.46Å; L51-F58 HydrophobicContact CG-CD2 4.37Å; S55-F58 PolarHBondContact O-N 3.43Å; S55-F58 WeakPolarHBondContact OG-CD2 3.47Å; S55-F58 PolarHBondContact OG-N 3.31Å; F58-M61 HydrophobicContact CD1-CE 4.36Å; F58-M61 HydrophobicContact CD1-SD 4.35Å; F58-M61 HydrophobicContact CE1-CE 4.48Å; F58-M61 PolarHBondContact O-N 2.96Å; F58-F62 HydrophobicContact CB-CD2 4.21Å; F58-F62 HydrophobicContact CB-CE2 3.89Å; F58-F62 HydrophobicContact CD1-CE2 4.03Å; F58-F62 HydrophobicContact CD1-CZ 4.1Å; F58-F62 HydrophobicContact CG-CE2 4.26Å; F58-F62 WeakPolarHBondContact O-CD2 3.13Å; F58-F62 WeakPolarHBondContact O-CG 3.46Å; F58-F62 PolarHBondContact O-N 3.26Å; F58-I76 HydrophobicContact CE1-CD1 3.74Å; F58-I76 HydrophobicContact CZ-CD1 3.75Å; F58-L113 HydrophobicContact CE2-CD1 4.19Å; F58-L113 HydrophobicContact CE2-CD2 4.29Å; F58-L113 HydrophobicContact CZ-CD1 4.21Å; F58-L113 HydrophobicContact CZ-CD2 3.93Å
59C92.3Very high88Confident44 Ų4458 Ų5830%0.29733%0.33SS..Hα-helixtrans-58.1-50.9173.2-171.10000110.5A52 S55 D56 M61 F62 T63A52-C59 HydrophobicContact CB-CB 4.16Å; A52-C59 WeakPolarHBondContact O-CB 3.47Å; S55-C59 WeakPolarHBondContact O-CB 3.42Å; S55-C59 PolarHBondContact O-N 2.88Å; D56-C59 PolarHBondContact O-N 3.46Å; C59-M61 PolarHBondContact O-N 3.33Å; C59-F62 PolarHBondContact O-N 3.29Å; C59-T63 VanDerWaalsContact O-CB 3.3Å; C59-T63 WeakPolarHBondContact O-CB 3.36Å; C59-T63 VanDerWaalsContact O-CG2 3.29Å; C59-T63 WeakPolarHBondContact O-CG2 3.42Å; C59-T63 PolarHBondContact O-N 3.39Å; C59-T63 PolarHBondContact O-OG1 3Å
60A91.2Very high87.2Confident49 Ų4955.1 Ų55.141%0.40533%0.331SS..Hα-helixtrans-59.4-46.7175.800000111.4D56 Y57 F62 S64D56-A60 WeakPolarHBondContact O-CB 3.44Å; D56-A60 PolarHBondContact O-N 3.24Å; Y57-A60 PolarHBondContact O-N 3.2Å; A60-F62 PolarHBondContact O-N 3.4Å; A60-S64 WeakPolarHBondContact O-CB 3.22Å; A60-S64 PolarHBondContact O-N 2.89Å; A60-S64 PolarHBondContact O-OG 2.77Å
61M90.6Very high86.8Confident13 Ų1358.8 Ų58.86%0.06435%0.346CS..Hα-helixtrans-58.5-41.5-179.8-173.2-175.1-64.200113.6Y57 F58 C59 E68 V74Y57-M61 HydrophobicContact CD1-CE 4.09Å; Y57-M61 HydrophobicContact CE1-CE 3.2Å; Y57-M61 HydrophobicContact CE2-CE 4.31Å; Y57-M61 WeakPolarHBondContact O-CB 3.22Å; Y57-M61 PolarHBondContact O-N 2.83Å; Y57-M61 WeakPolarHBondContact OH-CE 3.13Å; F58-M61 HydrophobicContact CD1-CE 4.36Å; F58-M61 HydrophobicContact CD1-SD 4.35Å; F58-M61 HydrophobicContact CE1-CE 4.48Å; F58-M61 PolarHBondContact O-N 2.96Å; C59-M61 PolarHBondContact O-N 3.33Å; M61-E68 HydrophobicContact CG-CB 3.65Å; M61-E68 HydrophobicContact CG-CG 4.21Å; M61-E68 HydrophobicContact SD-CB 4.11Å; M61-E68 HydrophobicContact SD-CG 4.33Å; M61-V74 HydrophobicContact CE-CG1 4.19Å; M61-V74 HydrophobicContact SD-CG1 3.58Å; M61-V74 VanDerWaalsContact SD-CG1 3.58Å; M61-V74 HydrophobicContact SD-CG2 4.36Å
62F90Very high86.4Confident18 Ų1862.5 Ų62.58%0.07937%0.37CS..Hα-helixtrans-92.8-17-174.9-58-40.5000114.2V35 R48 L51 A52 F58 C59 A60 K69 V74V35-F62 HydrophobicContact CG1-CZ 4.39Å; V35-F62 HydrophobicContact CG2-CE1 4.37Å; V35-F62 HydrophobicContact CG2-CZ 4.3Å; R48-F62 HydrophobicContact CB-CD2 3.86Å; R48-F62 HydrophobicContact CB-CE2 4.1Å; R48-F62 HydrophobicContact CB-CG 4.25Å; R48-F62 HydrophobicContact CG-CD1 4.19Å; R48-F62 HydrophobicContact CG-CD2 4.01Å; R48-F62 HydrophobicContact CG-CE1 4.19Å; R48-F62 HydrophobicContact CG-CE2 4Å; R48-F62 HydrophobicContact CG-CG 4.12Å; R48-F62 HydrophobicContact CG-CZ 4.1Å; L51-F62 HydrophobicContact CB-CE2 4.01Å; L51-F62 HydrophobicContact CD1-CE2 3.96Å; L51-F62 HydrophobicContact CD1-CZ 4.22Å; A52-F62 HydrophobicContact CB-CD2 4.44Å; F58-F62 HydrophobicContact CB-CD2 4.21Å; F58-F62 HydrophobicContact CB-CE2 3.89Å; F58-F62 HydrophobicContact CD1-CE2 4.03Å; F58-F62 HydrophobicContact CD1-CZ 4.1Å; F58-F62 HydrophobicContact CG-CE2 4.26Å; F58-F62 WeakPolarHBondContact O-CD2 3.13Å; F58-F62 WeakPolarHBondContact O-CG 3.46Å; F58-F62 PolarHBondContact O-N 3.26Å; C59-F62 PolarHBondContact O-N 3.29Å; A60-F62 PolarHBondContact O-N 3.4Å; F62-K69 WeakPolarHBondContact O-CG 3.48Å; F62-V74 HydrophobicContact CE1-CG2 4.31Å
63T86.6Confident86.3Confident87 Ų8767.2 Ų67.253%0.53439%0.385SS..Hα-helixtrans-101.2-34.8-179.162.90000113.5C59 K69C59-T63 VanDerWaalsContact O-CB 3.3Å; C59-T63 WeakPolarHBondContact O-CB 3.36Å; C59-T63 VanDerWaalsContact O-CG2 3.29Å; C59-T63 WeakPolarHBondContact O-CG2 3.42Å; C59-T63 PolarHBondContact O-N 3.39Å; C59-T63 PolarHBondContact O-OG1 3Å; T63-K69 PolarHBondContact O-NZ 2.85Å
64S81Confident86.2Confident40 Ų4063.2 Ų63.228%0.2835%0.351SS..SBendtrans-71.3171.9-179.5690000113.5A60 L66 K69A60-S64 WeakPolarHBondContact O-CB 3.22Å; A60-S64 PolarHBondContact O-N 2.89Å; A60-S64 PolarHBondContact O-OG 2.77Å; S64-L66 PolarHBondContact O-N 3.2Å; S64-L66 WeakPolarHBondContact OG-CB 3.46Å; S64-L66 WeakPolarHBondContact OG-CD1 3.42Å; S64-L66 WeakPolarHBondContact OG-CG 3.34Å; S64-L66 PolarHBondContact OG-N 3.31Å; S64-K69 WeakPolarHBondContact O-CD 3.41Å
65E76.4Confident86.2Confident200 Ų20065.8 Ų65.894%0.93536%0.362SS*.SBendtrans-75.826.9174.2-61.3-169.3165.500113.5
66L75.2Confident86Confident88 Ų8866.1 Ų66.146%0.46136%0.363SS..  trans-70.4152.6175.7-75.2172.3000111.8S64 E68 K69S64-L66 PolarHBondContact O-N 3.2Å; S64-L66 WeakPolarHBondContact OG-CB 3.46Å; S64-L66 WeakPolarHBondContact OG-CD1 3.42Å; S64-L66 WeakPolarHBondContact OG-CG 3.34Å; S64-L66 PolarHBondContact OG-N 3.31Å; L66-E68 PolarHBondContact O-N 2.76Å; L66-E68 VanDerWaalsContact O-N 3.13Å; L66-K69 WeakPolarHBondContact O-CB 3.41Å; L66-K69 PolarHBondContact O-N 3.24Å
67S73.5Confident85.9Confident76 Ų7670.4 Ų70.453%0.53138%0.381SS..THydrogen-bonded Turntrans-64.3-21.8-174.885.70000113.1K71S67-K71 WeakPolarHBondContact O-CE 3.29Å; S67-K71 WeakPolarHBondContact O-CG 3.49Å; S67-K71 PolarHBondContact OG-NZ 3.03Å
68E76.6Confident85.7Confident52 Ų5270.6 Ų70.624%0.24341%0.405CS..THydrogen-bonded Turntrans-76.9-22.1-176.7-68.164.1-140.300112.7M61 L66 G70 K71M61-E68 HydrophobicContact CG-CB 3.65Å; M61-E68 HydrophobicContact CG-CG 4.21Å; M61-E68 HydrophobicContact SD-CB 4.11Å; M61-E68 HydrophobicContact SD-CG 4.33Å; L66-E68 PolarHBondContact O-N 2.76Å; L66-E68 VanDerWaalsContact O-N 3.13Å; E68-G70 PolarHBondContact O-N 2.85Å; E68-K71 PolarHBondContact O-N 3.1Å; E68-K71 IonicContact OE1-NZ 3.51Å
69K74.7Confident85.6Confident103 Ų10371.3 Ų71.345%0.44841%0.409SS..THydrogen-bonded Turntrans-48.9-41.2-174.6178170.6-1681630113.7F62 T63 S64 L66F62-K69 WeakPolarHBondContact O-CG 3.48Å; T63-K69 PolarHBondContact O-NZ 2.85Å; S64-K69 WeakPolarHBondContact O-CD 3.41Å; L66-K69 WeakPolarHBondContact O-CB 3.41Å; L66-K69 PolarHBondContact O-N 3.24Å
70G77.7Confident85.7Confident64 Ų6470.7 Ų70.766%0.6640%0.403SS*.THydrogen-bonded Turntrans-100.6-6.1-178.500000115.1E68E68-G70 PolarHBondContact O-N 2.85Å
71K85.4Confident85.9Confident88 Ų8869 Ų6938%0.38339%0.389SS..  trans-76.8132.4-173.2-68.8179.1-173.3163.10110.5R48 S67 E68 Y73R48-K71 PolarHBondContact NH2-O 3.1Å; S67-K71 WeakPolarHBondContact O-CE 3.29Å; S67-K71 WeakPolarHBondContact O-CG 3.49Å; S67-K71 PolarHBondContact OG-NZ 3.03Å; E68-K71 PolarHBondContact O-N 3.1Å; E68-K71 IonicContact OE1-NZ 3.51Å; K71-Y73 VanDerWaalsContact C-N 3.26Å; K71-Y73 WeakPolarHBondContact CB-O 3.27Å
72P88Confident86.1Confident79 Ų7971.6 Ų71.651%0.51341%0.409SS..SBendtrans-72.8-22.3174.227.2-31000112.3T36T36-P72 PolarHBondContact N-O 3.19Å
73Y91.3Very high86.4Confident117 Ų11770.9 Ų70.946%0.45941%0.406SS..EExtended strand (participates in β ladder)trans-118.3130.7176.3-61.3-86.2000109.9T36 K71T36-Y73 HydrophobicContact CG2-CD1 3.95Å; T36-Y73 HydrophobicContact CG2-CE1 4.04Å; T36-Y73 WeakPolarHBondContact O-CA 3.3Å; K71-Y73 VanDerWaalsContact C-N 3.26Å; K71-Y73 WeakPolarHBondContact CB-O 3.27Å
74V91.5Very high86.9Confident4 Ų466.9 Ų66.92%0.02438%0.381CS..EExtended strand (participates in β ladder)trans-122.8114.8176.5177.30000108.3V35 T36 L37 R38 M61 F62 I76V35-V74 HydrophobicContact CG2-CB 4.5Å; V35-V74 HydrophobicContact CG2-CG2 3.8Å; T36-V74 PolarHBondContact O-N 2.75Å; L37-V74 CarbonylContact C-O 3.51Å; L37-V74 WeakPolarHBondContact CA-O 3.41Å; L37-V74 HydrophobicContact CD2-CB 4.04Å; L37-V74 HydrophobicContact CD2-CG1 4.45Å; R38-V74 PolarHBondContact N-O 3.45Å; M61-V74 HydrophobicContact CE-CG1 4.19Å; M61-V74 HydrophobicContact SD-CG1 3.58Å; M61-V74 VanDerWaalsContact SD-CG1 3.58Å; M61-V74 HydrophobicContact SD-CG2 4.36Å; F62-V74 HydrophobicContact CE1-CG2 4.31Å; V74-I76 HydrophobicContact CG1-CG1 4.23Å
75D91.8Very high87.5Confident106 Ų10669.1 Ų69.157%0.56739%0.387SS*.EExtended strand (participates in β ladder)trans-78.5120.3174-63-55.1000109.4R38R38-D75 WeakPolarHBondContact CB-OD1 3.4Å; R38-D75 WeakPolarHBondContact CD-OD1 3.43Å
76I92Very high88.5Confident7 Ų761.9 Ų61.94%0.03636%0.355CS..  trans-105.9122175-59.7176.4000108.2L37 R38 V39 F58 V74 L79 M84 L113L37-I76 HydrophobicContact CB-CD1 4.01Å; L37-I76 HydrophobicContact CD1-CD1 3.81Å; L37-I76 HydrophobicContact CD2-CD1 3.96Å; L37-I76 HydrophobicContact CG-CD1 4.13Å; R38-I76 PolarHBondContact O-N 2.8Å; V39-I76 HydrophobicContact CG2-CB 4.05Å; F58-I76 HydrophobicContact CE1-CD1 3.74Å; F58-I76 HydrophobicContact CZ-CD1 3.75Å; V74-I76 HydrophobicContact CG1-CG1 4.23Å; I76-L79 HydrophobicContact CG2-CD2 3.59Å; I76-L79 HydrophobicContact CG2-CG 4.16Å; I76-M84 HydrophobicContact CB-CE 4.38Å; I76-M84 HydrophobicContact CD1-CE 3.5Å; I76-M84 VanDerWaalsContact CD1-CE 3.5Å; I76-M84 HydrophobicContact CG2-CE 4.24Å; I76-L113 HydrophobicContact CG2-CD2 4.46Å
77Q90.7Very high89.5Confident168 Ų16857.8 Ų57.879%0.78533%0.333SS*.  trans-102.7156.6179.8-61.4-174-11.200110.7
78G88.6Confident90.5Very high76 Ų7654.3 Ų54.378%0.78431%0.309SS*.SBendtrans88.511.3172.800000115.9
79L93.4Very high91.4Very high18 Ų1854.4 Ų54.49%0.09431%0.311CS..SBendtrans-145.5154.8174.363.394.2000111.5V39 I76 M84 A109 L112 L113V39-L79 HydrophobicContact CB-CD1 4.41Å; V39-L79 HydrophobicContact CG1-CD1 3.57Å; V39-L79 HydrophobicContact CG1-CG 4.35Å; V39-L79 WeakPolarHBondContact CG1-O 3.44Å; V39-L79 HydrophobicContact CG2-CD1 3.94Å; I76-L79 HydrophobicContact CG2-CD2 3.59Å; I76-L79 HydrophobicContact CG2-CG 4.16Å; L79-M84 HydrophobicContact CD1-CB 3.59Å; L79-M84 HydrophobicContact CD1-CE 3.72Å; L79-M84 HydrophobicContact CD1-CG 4.45Å; L79-M84 HydrophobicContact CD2-CE 3.99Å; L79-M84 HydrophobicContact CG-CE 4.46Å; L79-A109 HydrophobicContact CB-CB 4.12Å; L79-L112 HydrophobicContact CD2-CD2 4.33Å; L79-L113 HydrophobicContact CD2-CD1 4.11Å; L79-L113 HydrophobicContact CD2-CD2 4.44Å; L79-L113 HydrophobicContact CD2-CG 4.32Å
80T94.5Very high92.4Very high31 Ų3150.7 Ų50.719%0.1930%0.295CS..  trans-81.7153.2-179.455.70000111.7E40 S82 T83 M84 E105E40-T80 WeakPolarHBondContact OE2-CA 3.48Å; T80-S82 VanDerWaalsContact C-N 3.25Å; T80-S82 PolarHBondContact O-N 3.35Å; T80-S82 PolarHBondContact OG1-OG 2.91Å; T80-T83 PolarHBondContact O-N 2.59Å; T80-T83 VanDerWaalsContact O-N 3.15Å; T80-T83 VanDerWaalsContact OG1-CB 3.31Å; T80-T83 WeakPolarHBondContact OG1-CB 3.31Å; T80-T83 PolarHBondContact OG1-N 2.97Å; T80-T83 PolarHBondContact OG1-OG1 2.83Å; T80-M84 PolarHBondContact O-N 3.23Å; T80-E105 WeakPolarHBondContact CG2-OE2 3.5Å; T80-E105 PolarHBondContact OG1-OE2 3.25Å
81A95.1Very high93.2Very high13 Ų1348 Ų4811%0.10727%0.266CS..Hα-helixtrans-63.3-31.1179.800000113V39 E40 K42 F44 E85V39-A81 HydrophobicContact CG1-CB 4.44Å; E40-A81 HydrophobicContact CB-CB 4.38Å; E40-A81 PolarHBondContact OE2-N 3.15Å; K42-A81 HydrophobicContact CB-CB 4.07Å; K42-A81 HydrophobicContact CD-CB 4.07Å; F44-A81 HydrophobicContact CE2-CB 4.34Å; F44-A81 HydrophobicContact CZ-CB 4.15Å; F44-A81 VanDerWaalsContact CZ-O 3.24Å; F44-A81 WeakPolarHBondContact CZ-O 3.34Å; A81-E85 PolarHBondContact O-N 2.83Å
82S94.7Very high93.7Very high68 Ų6843.9 Ų43.948%0.47625%0.248SC..Hα-helixtrans-64-45.717244.60000111.7T80 E85 I86T80-S82 VanDerWaalsContact C-N 3.25Å; T80-S82 PolarHBondContact O-N 3.35Å; T80-S82 PolarHBondContact OG1-OG 2.91Å; S82-E85 WeakPolarHBondContact O-CB 3.42Å; S82-E85 PolarHBondContact O-N 3.24Å; S82-I86 PolarHBondContact O-N 3.35Å
83T95.8Very high93.9Very high4 Ų441.7 Ų41.73%0.02523%0.233CC..Hα-helixtrans-65.1-40.2178.7-64.30000111.5T80 E85 I86 L87 E105 L106 A109T80-T83 PolarHBondContact O-N 2.59Å; T80-T83 VanDerWaalsContact O-N 3.15Å; T80-T83 VanDerWaalsContact OG1-CB 3.31Å; T80-T83 WeakPolarHBondContact OG1-CB 3.31Å; T80-T83 PolarHBondContact OG1-N 2.97Å; T80-T83 PolarHBondContact OG1-OG1 2.83Å; T83-E85 VanDerWaalsContact C-N 3.29Å; T83-E85 PolarHBondContact O-N 3.31Å; T83-I86 PolarHBondContact O-N 3.36Å; T83-L87 HydrophobicContact CG2-CD1 4.08Å; T83-L87 HydrophobicContact CG2-CG 4.37Å; T83-L87 VanDerWaalsContact O-CG 3.32Å; T83-L87 WeakPolarHBondContact O-CG 3.48Å; T83-L87 PolarHBondContact O-N 3.35Å; T83-E105 PolarHBondContact OG1-OE2 3.22Å; T83-L106 HydrophobicContact CG2-CD1 4.22Å; T83-A109 HydrophobicContact CG2-CB 3.52Å
84M96.2Very high93.9Very high2 Ų243 Ų431%0.0124%0.243CC..Hα-helixtrans-58.4-39.8173.2-17951.972.900112.5L37 V39 F44 I76 L79 T80 L87 L88 L113L37-M84 HydrophobicContact CD1-CE 4.33Å; L37-M84 HydrophobicContact CD1-SD 4.16Å; V39-M84 HydrophobicContact CB-CB 4.45Å; V39-M84 HydrophobicContact CG1-CB 4.47Å; V39-M84 HydrophobicContact CG2-CB 4.06Å; V39-M84 HydrophobicContact CG2-CE 3.73Å; V39-M84 HydrophobicContact CG2-CG 3.89Å; F44-M84 HydrophobicContact CD1-CG 4.11Å; F44-M84 HydrophobicContact CD2-CG 3.78Å; F44-M84 HydrophobicContact CE1-CB 4.4Å; F44-M84 HydrophobicContact CE1-CG 4.17Å; F44-M84 HydrophobicContact CE2-CB 4.1Å; F44-M84 HydrophobicContact CE2-CG 3.86Å; F44-M84 HydrophobicContact CG-CG 3.91Å; F44-M84 HydrophobicContact CZ-CB 4.03Å; F44-M84 HydrophobicContact CZ-CG 4.04Å; I76-M84 HydrophobicContact CB-CE 4.38Å; I76-M84 HydrophobicContact CD1-CE 3.5Å; I76-M84 VanDerWaalsContact CD1-CE 3.5Å; I76-M84 HydrophobicContact CG2-CE 4.24Å; L79-M84 HydrophobicContact CD1-CB 3.59Å; L79-M84 HydrophobicContact CD1-CE 3.72Å; L79-M84 HydrophobicContact CD1-CG 4.45Å; L79-M84 HydrophobicContact CD2-CE 3.99Å; L79-M84 HydrophobicContact CG-CE 4.46Å; T80-M84 PolarHBondContact O-N 3.23Å; M84-L87 PolarHBondContact O-N 3.11Å; M84-L88 HydrophobicContact CG-CD1 3.87Å; M84-L88 HydrophobicContact CG-CG 4.33Å; M84-L88 WeakPolarHBondContact O-CB 3.41Å; M84-L88 WeakPolarHBondContact O-CG 3.37Å; M84-L88 PolarHBondContact O-N 3.23Å; M84-L88 HydrophobicContact SD-CD1 3.81Å; M84-L88 HydrophobicContact SD-CD2 4.46Å; M84-L88 HydrophobicContact SD-CG 3.73Å; M84-L113 HydrophobicContact CE-CD1 4.16Å
85E95.3Very high94Very high87 Ų8747.3 Ų47.341%0.40727%0.27SS..Hα-helixtrans-62.4-43.7178.7-167.4161.2179.500111.5K42 F44 A81 S82 T83 L88 D89K42-E85 IonicContact NZ-OE2 3.48Å; K42-E85 PolarHBondContact NZ-OE2 2.97Å; F44-E85 HydrophobicContact CE1-CB 4.02Å; A81-E85 PolarHBondContact O-N 2.83Å; S82-E85 WeakPolarHBondContact O-CB 3.42Å; S82-E85 PolarHBondContact O-N 3.24Å; T83-E85 VanDerWaalsContact C-N 3.29Å; T83-E85 PolarHBondContact O-N 3.31Å; E85-L88 PolarHBondContact O-N 3.39Å; E85-D89 WeakPolarHBondContact O-CB 3.24Å; E85-D89 PolarHBondContact O-N 3.21Å
86I96Very high94.2Very high49 Ų4944 Ų4425%0.25125%0.254SS..Hα-helixtrans-63.3-46.1176.5-62.8169000111.1S82 T83 D89 F90 V96 L106S82-I86 PolarHBondContact O-N 3.35Å; T83-I86 PolarHBondContact O-N 3.36Å; I86-D89 PolarHBondContact O-N 2.89Å; I86-F90 PolarHBondContact O-N 3.47Å; I86-V96 HydrophobicContact CG2-CG2 4.04Å; I86-L106 HydrophobicContact CB-CD1 4.45Å; I86-L106 HydrophobicContact CG2-CD1 3.89Å; I86-L106 HydrophobicContact CG2-CD2 4.44Å
87L96.3Very high94.3Very high2 Ų250.7 Ų50.71%0.0128%0.284CS..Hα-helixtrans-65.7-40.6-179.8-65.1176.4000111.8T83 M84 F90 V91 L106 A109 L113 L115 V118T83-L87 HydrophobicContact CG2-CD1 4.08Å; T83-L87 HydrophobicContact CG2-CG 4.37Å; T83-L87 VanDerWaalsContact O-CG 3.32Å; T83-L87 WeakPolarHBondContact O-CG 3.48Å; T83-L87 PolarHBondContact O-N 3.35Å; M84-L87 PolarHBondContact O-N 3.11Å; L87-F90 WeakPolarHBondContact O-CB 3.44Å; L87-F90 PolarHBondContact O-N 3.2Å; L87-V91 VanDerWaalsContact O-CG2 3.31Å; L87-V91 WeakPolarHBondContact O-CG2 3.45Å; L87-V91 PolarHBondContact O-N 3.49Å; L87-L106 HydrophobicContact CD2-CD1 3.53Å; L87-L106 HydrophobicContact CG-CD1 4.08Å; L87-A109 HydrophobicContact CD1-CB 3.71Å; L87-L113 HydrophobicContact CD1-CD1 3.71Å; L87-L115 HydrophobicContact CB-CD1 4.09Å; L87-L115 HydrophobicContact CD1-CD1 4.45Å; L87-L115 HydrophobicContact CD2-CD1 3.84Å; L87-L115 HydrophobicContact CG-CD1 4.34Å; L87-V118 HydrophobicContact CD2-CB 4.46Å; L87-V118 HydrophobicContact CD2-CG1 3.97Å; L87-V118 HydrophobicContact CD2-CG2 4.22Å
88L95.2Very high94.5Very high3 Ų343.7 Ų43.72%0.01625%0.253CS..Hα-helixtrans-66.4-39.9174.8-78.7172.5000111.8L37 F44 A46 L51 M84 E85 F90 V91 Y92L37-L88 HydrophobicContact CD1-CD2 4.26Å; F44-L88 HydrophobicContact CB-CD1 3.5Å; F44-L88 HydrophobicContact CD1-CD1 3.65Å; F44-L88 HydrophobicContact CG-CD1 3.8Å; A46-L88 HydrophobicContact CB-CD2 4.42Å; L51-L88 HydrophobicContact CD2-CD2 3.82Å; M84-L88 HydrophobicContact CG-CD1 3.87Å; M84-L88 HydrophobicContact CG-CG 4.33Å; M84-L88 WeakPolarHBondContact O-CB 3.41Å; M84-L88 WeakPolarHBondContact O-CG 3.37Å; M84-L88 PolarHBondContact O-N 3.23Å; M84-L88 HydrophobicContact SD-CD1 3.81Å; M84-L88 HydrophobicContact SD-CD2 4.46Å; M84-L88 HydrophobicContact SD-CG 3.73Å; E85-L88 PolarHBondContact O-N 3.39Å; L88-F90 VanDerWaalsContact C-N 3.33Å; L88-V91 PolarHBondContact O-N 2.7Å; L88-Y92 VanDerWaalsContact O-CD2 3.27Å; L88-Y92 WeakPolarHBondContact O-CD2 3.43Å; L88-Y92 PolarHBondContact O-N 2.68Å
89D94.4Very high94.8Very high54 Ų5441.4 Ų41.429%0.28922%0.224SC..Hα-helixtrans-61-45.9174.3-81.8-6.7000110.3R27 E85 I86 V91 Y92 T93R27-D89 IonicContact CZ-OD1 3.2Å; R27-D89 IonicContact NH2-OD1 3.48Å; R27-D89 PolarHBondContact NH2-OD1 2.9Å; E85-D89 WeakPolarHBondContact O-CB 3.24Å; E85-D89 PolarHBondContact O-N 3.21Å; I86-D89 PolarHBondContact O-N 2.89Å; D89-V91 PolarHBondContact O-N 2.91Å; D89-Y92 CarbonylContact O-C 3.44Å; D89-Y92 PolarHBondContact O-N 3.22Å; D89-T93 WeakPolarHBondContact O-CB 3.47Å; D89-T93 WeakPolarHBondContact O-CG2 3.48Å; D89-T93 PolarHBondContact O-N 2.94Å; D89-T93 PolarHBondContact O-OG1 2.85Å
90F95.8Very high94.8Very high24 Ų2445 Ų4511%0.10525%0.247CC..Hα-helixtrans-54.3-47.9173.4170.6-94.7000112.9I86 L87 L88 Y92 T93 E94 T95 V96 L115 V118I86-F90 PolarHBondContact O-N 3.47Å; L87-F90 WeakPolarHBondContact O-CB 3.44Å; L87-F90 PolarHBondContact O-N 3.2Å; L88-F90 VanDerWaalsContact C-N 3.33Å; F90-Y92 PolarHBondContact O-N 3.46Å; F90-Y92 VanDerWaalsContact O-N 3.1Å; F90-T93 PolarHBondContact O-N 3.28Å; F90-E94 WeakPolarHBondContact O-CA 3.5Å; F90-E94 PolarHBondContact O-N 2.87Å; F90-T95 WeakPolarHBondContact CA-O 3.45Å; F90-V96 HydrophobicContact CB-CB 4.37Å; F90-V96 HydrophobicContact CD2-CB 3.87Å; F90-V96 HydrophobicContact CD2-CG1 4.16Å; F90-V96 HydrophobicContact CG-CB 4.45Å; F90-L115 HydrophobicContact CE1-CD2 4.46Å; F90-V118 HydrophobicContact CB-CG2 4.09Å; F90-V118 HydrophobicContact CD1-CG2 3.27Å; F90-V118 HydrophobicContact CD2-CG2 3.72Å; F90-V118 HydrophobicContact CE1-CG2 3.51Å; F90-V118 HydrophobicContact CE2-CG2 3.92Å; F90-V118 HydrophobicContact CG-CG2 3.38Å; F90-V118 HydrophobicContact CZ-CG2 3.82Å
91V95.5Very high94.7Very high9 Ų951 Ų516%0.05527%0.272CS..Hα-helixtrans-56.6-30.3179.3167.30000112V50 L51 C54 L87 L88 D89 L115V50-V91 HydrophobicContact CG1-CG1 3.74Å; L51-V91 HydrophobicContact CD2-CG1 4.37Å; C54-V91 HydrophobicContact CB-CG1 4.16Å; C54-V91 HydrophobicContact CB-CG2 4.31Å; L87-V91 VanDerWaalsContact O-CG2 3.31Å; L87-V91 WeakPolarHBondContact O-CG2 3.45Å; L87-V91 PolarHBondContact O-N 3.49Å; L88-V91 PolarHBondContact O-N 2.7Å; D89-V91 PolarHBondContact O-N 2.91Å; V91-L115 HydrophobicContact CG2-CD1 4.49Å; V91-L115 HydrophobicContact CG2-CD2 3.98Å
92Y95.1Very high94.7Very high0 Ų051.6 Ų51.60%027%0.274CS..Hα-helixtrans-106.8-3.5-176.5-78.1-93000114.8L20 M23 N24 R27 H47 V50 L88 D89 F90L20-Y92 VanDerWaalsContact CD2-C 3.49Å; L20-Y92 WeakPolarHBondContact CD2-O 3.39Å; L20-Y92 VanDerWaalsContact CG-O 3.29Å; L20-Y92 WeakPolarHBondContact CG-O 3.41Å; M23-Y92 HydrophobicContact CB-CD1 4.11Å; M23-Y92 HydrophobicContact CB-CE1 4.01Å; N24-Y92 HydrophobicContact CB-CD1 4Å; N24-Y92 HydrophobicContact CB-CG 4.28Å; R27-Y92 HydrophobicContact CB-CE1 4.09Å; H47-Y92 PolarHBondContact N-OH 3.16Å; H47-Y92 AromaticContact ND1-CE1 3.67Å; H47-Y92 AromaticContact ND1-CZ 3.69Å; H47-Y92 PolarHBondContact ND1-OH 2.97Å; V50-Y92 HydrophobicContact CB-CE1 4.2Å; V50-Y92 HydrophobicContact CG1-CD1 4.19Å; V50-Y92 HydrophobicContact CG1-CD2 4.41Å; V50-Y92 HydrophobicContact CG1-CE1 3.83Å; V50-Y92 HydrophobicContact CG1-CE2 4.03Å; V50-Y92 HydrophobicContact CG1-CG 4.49Å; V50-Y92 HydrophobicContact CG2-CE1 4.11Å; L88-Y92 VanDerWaalsContact O-CD2 3.27Å; L88-Y92 WeakPolarHBondContact O-CD2 3.43Å; L88-Y92 PolarHBondContact O-N 2.68Å; D89-Y92 CarbonylContact O-C 3.44Å; D89-Y92 PolarHBondContact O-N 3.22Å; F90-Y92 PolarHBondContact O-N 3.46Å; F90-Y92 VanDerWaalsContact O-N 3.1Å
93T93.1Very high94.8Very high33 Ų3348.9 Ų48.920%0.20225%0.254CS..Hα-helixtrans-132.3-11.8-17967.30000114.3N24 D89 F90 T95N24-T93 VanDerWaalsContact ND2-CG2 3.3Å; N24-T93 WeakPolarHBondContact ND2-CG2 3.49Å; D89-T93 WeakPolarHBondContact O-CB 3.47Å; D89-T93 WeakPolarHBondContact O-CG2 3.48Å; D89-T93 PolarHBondContact O-N 2.94Å; D89-T93 PolarHBondContact O-OG1 2.85Å; F90-T93 PolarHBondContact O-N 3.28Å; T93-T95 PolarHBondContact O-N 2.92Å; T93-T95 PolarHBondContact OG1-N 3.34Å; T93-T95 PolarHBondContact OG1-O 3.38Å; T93-T95 PolarHBondContact OG1-OG1 3.31Å
94E91.3Very high94.7Very high145 Ų14555.8 Ų55.868%0.67829%0.286SS*.SBendtrans62.911.4-172-158.2-176-17500113.2F90F90-E94 WeakPolarHBondContact O-CA 3.5Å; F90-E94 PolarHBondContact O-N 2.87Å
95T93.3Very high94.6Very high94 Ų9460.2 Ų60.258%0.57731%0.307SS*.  trans-116.9130-178.262.50000110.2F90 T93F90-T95 WeakPolarHBondContact CA-O 3.45Å; T93-T95 PolarHBondContact O-N 2.92Å; T93-T95 PolarHBondContact OG1-N 3.34Å; T93-T95 PolarHBondContact OG1-O 3.38Å; T93-T95 PolarHBondContact OG1-OG1 3.31Å
96V95.5Very high94.7Very high38 Ų3856 Ų5623%0.2329%0.287CS..  trans-124.4133.3171.560.80000109.2I86 F90 V98 L106 V118 A121I86-V96 HydrophobicContact CG2-CG2 4.04Å; F90-V96 HydrophobicContact CB-CB 4.37Å; F90-V96 HydrophobicContact CD2-CB 3.87Å; F90-V96 HydrophobicContact CD2-CG1 4.16Å; F90-V96 HydrophobicContact CG-CB 4.45Å; V96-V98 HydrophobicContact CG1-CG2 4.18Å; V96-V98 HydrophobicContact CG2-CG2 4.09Å; V96-L106 HydrophobicContact CG2-CD2 3.84Å; V96-V118 HydrophobicContact CG2-CG1 4.19Å; V96-A121 HydrophobicContact CG1-CB 3.79Å
97H93.8Very high94.7Very high146 Ų14653.7 Ų53.768%0.67628%0.275SS*.  trans-99104.4173.9-174.256.4000108.4T99 N102H97-T99 VanDerWaalsContact NE2-CG2 3.3Å; H97-T99 WeakPolarHBondContact NE2-CG2 3.39Å; H97-N102 PolarHBondContact O-ND2 3.49Å
98V95.8Very high94.7Very high22 Ų2255.4 Ų55.413%0.13329%0.286CS..  trans-95130.9178.3-170.40000108.7V96 V103 L106 A121 F125V96-V98 HydrophobicContact CG1-CG2 4.18Å; V96-V98 HydrophobicContact CG2-CG2 4.09Å; V98-V103 HydrophobicContact CG1-CB 3.97Å; V98-V103 HydrophobicContact CG1-CG2 3.94Å; V98-L106 HydrophobicContact CG2-CD2 4.13Å; V98-A121 HydrophobicContact CG2-CB 4.38Å; V98-F125 HydrophobicContact CB-CB 4.29Å; V98-F125 HydrophobicContact CB-CD2 4.46Å; V98-F125 HydrophobicContact CB-CG 4.19Å; V98-F125 HydrophobicContact CG1-CB 3.81Å; V98-F125 HydrophobicContact CG1-CD1 3.61Å; V98-F125 HydrophobicContact CG1-CD2 4.29Å; V98-F125 HydrophobicContact CG1-CE1 4.26Å; V98-F125 HydrophobicContact CG1-CG 3.63Å
99T94.9Very high94.7Very high28 Ų2855.3 Ų55.317%0.17229%0.286CS..  trans-134.6167177.878.40000110.1H97 E101 N102 V103H97-T99 VanDerWaalsContact NE2-CG2 3.3Å; H97-T99 WeakPolarHBondContact NE2-CG2 3.39Å; T99-E101 VanDerWaalsContact CB-OE2 3.22Å; T99-E101 WeakPolarHBondContact CB-OE2 3.09Å; T99-E101 PolarHBondContact O-N 2.96Å; T99-E101 PolarHBondContact OG1-N 2.86Å; T99-E101 PolarHBondContact OG1-OE2 3.15Å; T99-N102 PolarHBondContact N-OD1 2.99Å; T99-N102 PolarHBondContact O-N 3.19Å; T99-N102 PolarHBondContact O-OD1 2.92Å; T99-N102 VanDerWaalsContact O-OD1 3.05Å; T99-N102 PolarHBondContact OG1-N 3.31Å; T99-V103 WeakPolarHBondContact O-CB 3.44Å; T99-V103 PolarHBondContact O-N 3.03Å
100V92.6Very high94.8Very high94 Ų9452.8 Ų52.857%0.5727%0.273SS*.THydrogen-bonded Turntrans-61-34.3178.5-176.50000111.2F125V100-F125 HydrophobicContact CG2-CE1 4.3Å; V100-F125 HydrophobicContact CG2-CZ 3.88Å
101E93.6Very high94.7Very high156 Ų15653.1 Ų53.173%0.72928%0.278SS*.THydrogen-bonded Turntrans-76.4-29-177.5-54.775.7-16400113.1T99T99-E101 VanDerWaalsContact CB-OE2 3.22Å; T99-E101 WeakPolarHBondContact CB-OE2 3.09Å; T99-E101 PolarHBondContact O-N 2.96Å; T99-E101 PolarHBondContact OG1-N 2.86Å; T99-E101 PolarHBondContact OG1-OE2 3.15Å
102N95.3Very high94.7Very high26 Ų2656.3 Ų56.314%0.13929%0.294CS..THydrogen-bonded Turntrans-101.7-22.1-174.277.39.4000114.1H97 T99 Q104 E105 L106H97-N102 PolarHBondContact O-ND2 3.49Å; T99-N102 PolarHBondContact N-OD1 2.99Å; T99-N102 PolarHBondContact O-N 3.19Å; T99-N102 PolarHBondContact O-OD1 2.92Å; T99-N102 VanDerWaalsContact O-OD1 3.05Å; T99-N102 PolarHBondContact OG1-N 3.31Å; N102-Q104 VanDerWaalsContact C-N 3.26Å; N102-Q104 PolarHBondContact O-N 3.32Å; N102-E105 PolarHBondContact O-N 3Å; N102-E105 VanDerWaalsContact O-N 3.12Å; N102-L106 WeakPolarHBondContact O-CB 3.31Å; N102-L106 PolarHBondContact O-N 3.24Å
103V95.5Very high94.7Very high10 Ų1056.4 Ų56.46%0.06129%0.294CS..Hα-helixtrans-61.2-34.4-170.767.20000113.1V98 T99 E105 L106 L107 C122 F125 L126V98-V103 HydrophobicContact CG1-CB 3.97Å; V98-V103 HydrophobicContact CG1-CG2 3.94Å; T99-V103 WeakPolarHBondContact O-CB 3.44Å; T99-V103 PolarHBondContact O-N 3.03Å; V103-E105 VanDerWaalsContact C-N 3.33Å; V103-E105 PolarHBondContact O-N 2.95Å; V103-L106 PolarHBondContact O-N 3.44Å; V103-L107 PolarHBondContact O-N 2.95Å; V103-C122 HydrophobicContact CG2-CB 4.15Å; V103-F125 HydrophobicContact CB-CD1 4.3Å; V103-F125 HydrophobicContact CB-CE1 4.41Å; V103-F125 HydrophobicContact CG1-CD1 4.49Å; V103-F125 HydrophobicContact CG1-CE1 4.28Å; V103-F125 HydrophobicContact CG2-CD1 4.19Å; V103-L126 HydrophobicContact CG1-CD2 3.97Å; V103-L126 HydrophobicContact CG2-CD1 3.99Å; V103-L126 HydrophobicContact CG2-CD2 3.96Å; V103-L126 HydrophobicContact CG2-CG 3.81Å
104Q93.6Very high94.8Very high149 Ų14959.4 Ų59.470%0.69631%0.306SS*.Hα-helixtrans-65.6-32.3179.6-171.2175.8-8.100112.8N102 P108N102-Q104 VanDerWaalsContact C-N 3.26Å; N102-Q104 PolarHBondContact O-N 3.32Å; Q104-P108 WeakPolarHBondContact O-CD 3.28Å; Q104-P108 WeakPolarHBondContact O-CG 3.42Å
105E95.5Very high95Very high95 Ų9552.6 Ų52.644%0.44428%0.275SS..Hα-helixtrans-91.2-31.9173.9-65.8-171.6-173.400112.4T80 T83 N102 V103 P108 A109T80-E105 WeakPolarHBondContact CG2-OE2 3.5Å; T80-E105 PolarHBondContact OG1-OE2 3.25Å; T83-E105 PolarHBondContact OG1-OE2 3.22Å; N102-E105 PolarHBondContact O-N 3Å; N102-E105 VanDerWaalsContact O-N 3.12Å; V103-E105 VanDerWaalsContact C-N 3.33Å; V103-E105 PolarHBondContact O-N 2.95Å; E105-P108 WeakPolarHBondContact O-CD 3.32Å; E105-A109 WeakPolarHBondContact O-CB 3.35Å; E105-A109 PolarHBondContact O-N 3.24Å
106L96.7Very high95Very high0 Ų055 Ų550%028%0.277CS..Hα-helixtrans-73.7-44-173.4-174.763.6000112.7T83 I86 L87 V96 V98 N102 V103 A109 A110 V118T83-L106 HydrophobicContact CG2-CD1 4.22Å; I86-L106 HydrophobicContact CB-CD1 4.45Å; I86-L106 HydrophobicContact CG2-CD1 3.89Å; I86-L106 HydrophobicContact CG2-CD2 4.44Å; L87-L106 HydrophobicContact CD2-CD1 3.53Å; L87-L106 HydrophobicContact CG-CD1 4.08Å; V96-L106 HydrophobicContact CG2-CD2 3.84Å; V98-L106 HydrophobicContact CG2-CD2 4.13Å; N102-L106 WeakPolarHBondContact O-CB 3.31Å; N102-L106 PolarHBondContact O-N 3.24Å; V103-L106 PolarHBondContact O-N 3.44Å; L106-A109 PolarHBondContact O-N 3.26Å; L106-A110 WeakPolarHBondContact O-CB 3.39Å; L106-A110 PolarHBondContact O-N 3.36Å; L106-V118 HydrophobicContact CD1-CG1 4.1Å; L106-V118 HydrophobicContact CD2-CG1 4.28Å; L106-V118 HydrophobicContact CG-CG1 3.97Å
107L96Very high94.9Very high0 Ų054.8 Ų54.80%028%0.283CS..Hα-helixtrans-63.4-47.1-179.2178.365.9000112.9V103 A109 A110 C111 K119 C122 L126 F141V103-L107 PolarHBondContact O-N 2.95Å; L107-A109 VanDerWaalsContact C-N 3.3Å; L107-A109 PolarHBondContact O-N 2.94Å; L107-A110 PolarHBondContact O-N 3.12Å; L107-C111 PolarHBondContact O-N 3.01Å; L107-C111 PolarHBondContact O-SG 3.28Å; L107-K119 HydrophobicContact CD1-CB 4.43Å; L107-K119 HydrophobicContact CD1-CG 3.92Å; L107-C122 HydrophobicContact CB-CB 4.01Å; L107-C122 HydrophobicContact CD1-CB 3.75Å; L107-C122 HydrophobicContact CG-CB 4.38Å; L107-L126 HydrophobicContact CD2-CD1 4.02Å; L107-F141 HydrophobicContact CB-CE1 4.02Å; L107-F141 HydrophobicContact CB-CZ 4.07Å; L107-F141 HydrophobicContact CD2-CD1 3.89Å; L107-F141 HydrophobicContact CD2-CE1 3.33Å; L107-F141 HydrophobicContact CD2-CZ 4.02Å; L107-F141 HydrophobicContact CG-CE1 4.17Å; L107-F141 HydrophobicContact CG-CZ 4.44Å
108P95.6Very high95.1Very high37 Ų3747.9 Ų47.924%0.2425%0.251CS..Hα-helixtrans-61.4-40.4176.5-2132.1000111.8Q104 E105 C111 L112 F141 H145Q104-P108 WeakPolarHBondContact O-CD 3.28Å; Q104-P108 WeakPolarHBondContact O-CG 3.42Å; E105-P108 WeakPolarHBondContact O-CD 3.32Å; P108-C111 PolarHBondContact O-N 3.44Å; P108-L112 WeakPolarHBondContact O-CB 3.46Å; P108-L112 PolarHBondContact O-N 2.86Å; P108-F141 HydrophobicContact CG-CE2 3.97Å; P108-F141 HydrophobicContact CG-CZ 3.96Å; P108-H145 WeakPolarHBondContact CG-NE2 3.34Å
109A95.8Very high95Very high2 Ų249.7 Ų49.72%0.01726%0.257CS..Hα-helixtrans-66.9-3917800000112L79 T83 L87 E105 L106 L107 C111 L112 L113L79-A109 HydrophobicContact CB-CB 4.12Å; T83-A109 HydrophobicContact CG2-CB 3.52Å; L87-A109 HydrophobicContact CD1-CB 3.71Å; E105-A109 WeakPolarHBondContact O-CB 3.35Å; E105-A109 PolarHBondContact O-N 3.24Å; L106-A109 PolarHBondContact O-N 3.26Å; L107-A109 VanDerWaalsContact C-N 3.3Å; L107-A109 PolarHBondContact O-N 2.94Å; A109-C111 VanDerWaalsContact C-N 3.33Å; A109-L112 PolarHBondContact O-N 3.42Å; A109-L113 WeakPolarHBondContact O-CB 3.39Å; A109-L113 WeakPolarHBondContact O-CG 3.47Å; A109-L113 PolarHBondContact O-N 3.38Å
110A95.8Very high95.1Very high0 Ų054.1 Ų54.10%028%0.276CS..Hα-helixtrans-63.3-38.8172.700000112.1L106 L107 Q114 L115 V118 K119L106-A110 WeakPolarHBondContact O-CB 3.39Å; L106-A110 PolarHBondContact O-N 3.36Å; L107-A110 PolarHBondContact O-N 3.12Å; A110-Q114 CarbonylContact O-C 3.55Å; A110-Q114 WeakPolarHBondContact O-CA 3.45Å; A110-Q114 PolarHBondContact O-N 2.86Å; A110-L115 PolarHBondContact O-N 3.29Å; A110-V118 HydrophobicContact CB-CB 3.81Å; A110-V118 HydrophobicContact CB-CG1 3.66Å; A110-K119 HydrophobicContact CB-CB 4.47Å
111C94.7Very high95.2Very high32 Ų3250.9 Ų50.922%0.21626%0.259CS..Hα-helixtrans-67.3-44.7174.7-66.80000111.9L107 P108 A109 Q114L107-C111 PolarHBondContact O-N 3.01Å; L107-C111 PolarHBondContact O-SG 3.28Å; P108-C111 PolarHBondContact O-N 3.44Å; A109-C111 VanDerWaalsContact C-N 3.33Å; C111-Q114 PolarHBondContact O-N 3.28Å; C111-Q114 VanDerWaalsContact O-N 3.16Å
112L94.7Very high95.4Very high76 Ų7643.5 Ų43.540%0.39822%0.224SC..Hα-helixtrans-59.2-47.4177.5177.264.3000111.8L79 P108 A109 Q114L79-L112 HydrophobicContact CD2-CD2 4.33Å; P108-L112 WeakPolarHBondContact O-CB 3.46Å; P108-L112 PolarHBondContact O-N 2.86Å; A109-L112 PolarHBondContact O-N 3.42Å; L112-Q114 VanDerWaalsContact C-N 3.27Å; L112-Q114 PolarHBondContact O-N 2.89Å
113L95.2Very high95.5Very high1 Ų143.2 Ų43.21%0.00522%0.224CC..THydrogen-bonded Turntrans-85.34.2178.8-58.5-174.8000113.1S55 Y57 F58 I76 L79 M84 L87 A109 L115S55-L113 WeakPolarHBondContact CB-O 3.27Å; S55-L113 PolarHBondContact OG-O 3.41Å; Y57-L113 HydrophobicContact CD1-CD2 3.68Å; Y57-L113 HydrophobicContact CE1-CD2 3.67Å; Y57-L113 HydrophobicContact CG-CD2 4.45Å; F58-L113 HydrophobicContact CE2-CD1 4.19Å; F58-L113 HydrophobicContact CE2-CD2 4.29Å; F58-L113 HydrophobicContact CZ-CD1 4.21Å; F58-L113 HydrophobicContact CZ-CD2 3.93Å; I76-L113 HydrophobicContact CG2-CD2 4.46Å; L79-L113 HydrophobicContact CD2-CD1 4.11Å; L79-L113 HydrophobicContact CD2-CD2 4.44Å; L79-L113 HydrophobicContact CD2-CG 4.32Å; M84-L113 HydrophobicContact CE-CD1 4.16Å; L87-L113 HydrophobicContact CD1-CD1 3.71Å; A109-L113 WeakPolarHBondContact O-CB 3.39Å; A109-L113 WeakPolarHBondContact O-CG 3.47Å; A109-L113 PolarHBondContact O-N 3.38Å; L113-L115 VanDerWaalsContact C-N 3.26Å; L113-L115 HydrophobicContact CB-CD1 4.15Å; L113-L115 HydrophobicContact CB-CG 4.19Å; L113-L115 HydrophobicContact CD1-CD1 4.47Å; L113-L115 PolarHBondContact O-N 3.02Å
114Q95.2Very high95.5Very high97 Ų9747.9 Ų47.945%0.45325%0.246SC..THydrogen-bonded Turntrans52.938.2179.4-57.5-174-100114.3D56 A110 C111 L112 K116D56-Q114 HydrophobicContact CB-CB 4.35Å; A110-Q114 CarbonylContact O-C 3.55Å; A110-Q114 WeakPolarHBondContact O-CA 3.45Å; A110-Q114 PolarHBondContact O-N 2.86Å; C111-Q114 PolarHBondContact O-N 3.28Å; C111-Q114 VanDerWaalsContact O-N 3.16Å; L112-Q114 VanDerWaalsContact C-N 3.27Å; L112-Q114 PolarHBondContact O-N 2.89Å; Q114-K116 PolarHBondContact O-N 3.02Å
115L95.6Very high95.7Very high2 Ų243.1 Ų43.11%0.0122%0.223CC..  trans-85.787.4176.8-70169.5000110.1L87 F90 V91 A110 L113 G117 V118 K119L87-L115 HydrophobicContact CB-CD1 4.09Å; L87-L115 HydrophobicContact CD1-CD1 4.45Å; L87-L115 HydrophobicContact CD2-CD1 3.84Å; L87-L115 HydrophobicContact CG-CD1 4.34Å; F90-L115 HydrophobicContact CE1-CD2 4.46Å; V91-L115 HydrophobicContact CG2-CD1 4.49Å; V91-L115 HydrophobicContact CG2-CD2 3.98Å; A110-L115 PolarHBondContact O-N 3.29Å; L113-L115 VanDerWaalsContact C-N 3.26Å; L113-L115 HydrophobicContact CB-CD1 4.15Å; L113-L115 HydrophobicContact CB-CG 4.19Å; L113-L115 HydrophobicContact CD1-CD1 4.47Å; L113-L115 PolarHBondContact O-N 3.02Å; L115-G117 VanDerWaalsContact C-N 3.35Å; L115-G117 PolarHBondContact O-N 2.89Å; L115-V118 HydrophobicContact CB-CB 4.25Å; L115-V118 HydrophobicContact CB-CG2 4.17Å; L115-V118 PolarHBondContact O-N 2.91Å; L115-K119 PolarHBondContact O-N 3.03Å
116K94Very high95.8Very high143 Ų14339.3 Ų39.362%0.62221%0.205SC*.Hα-helixtrans-56-43.2-173.4-65.1172.7-171.1153.70113.3D56 Q114 V118 K119 Q120D56-K116 IonicContact OD2-NZ 3.31Å; D56-K116 PolarHBondContact OD2-NZ 3.28Å; Q114-K116 PolarHBondContact O-N 3.02Å; K116-V118 PolarHBondContact O-N 3.36Å; K116-K119 PolarHBondContact O-N 2.86Å; K116-Q120 WeakPolarHBondContact O-CB 3.35Å; K116-Q120 PolarHBondContact O-N 3.38Å
117G93.9Very high95.7Very high35 Ų3544 Ų4436%0.36123%0.227SC..Hα-helixtrans-64.4-39.2179.500000113.5L115 A121L115-G117 VanDerWaalsContact C-N 3.35Å; L115-G117 PolarHBondContact O-N 2.89Å; G117-A121 WeakPolarHBondContact O-CB 3.17Å; G117-A121 PolarHBondContact O-N 2.7Å
118V96.3Very high95.6Very high0 Ų047.8 Ų47.80%025%0.254CS..Hα-helixtrans-70.4-43.7175-177.10000110.6L87 F90 V96 L106 A110 L115 K116 Q120 A121 C122L87-V118 HydrophobicContact CD2-CB 4.46Å; L87-V118 HydrophobicContact CD2-CG1 3.97Å; L87-V118 HydrophobicContact CD2-CG2 4.22Å; F90-V118 HydrophobicContact CB-CG2 4.09Å; F90-V118 HydrophobicContact CD1-CG2 3.27Å; F90-V118 HydrophobicContact CD2-CG2 3.72Å; F90-V118 HydrophobicContact CE1-CG2 3.51Å; F90-V118 HydrophobicContact CE2-CG2 3.92Å; F90-V118 HydrophobicContact CG-CG2 3.38Å; F90-V118 HydrophobicContact CZ-CG2 3.82Å; V96-V118 HydrophobicContact CG2-CG1 4.19Å; L106-V118 HydrophobicContact CD1-CG1 4.1Å; L106-V118 HydrophobicContact CD2-CG1 4.28Å; L106-V118 HydrophobicContact CG-CG1 3.97Å; A110-V118 HydrophobicContact CB-CB 3.81Å; A110-V118 HydrophobicContact CB-CG1 3.66Å; L115-V118 HydrophobicContact CB-CB 4.25Å; L115-V118 HydrophobicContact CB-CG2 4.17Å; L115-V118 PolarHBondContact O-N 2.91Å; K116-V118 PolarHBondContact O-N 3.36Å; V118-Q120 VanDerWaalsContact C-N 3.28Å; V118-Q120 PolarHBondContact O-N 3.14Å; V118-A121 PolarHBondContact O-N 2.84Å; V118-C122 WeakPolarHBondContact O-CB 3.46Å; V118-C122 PolarHBondContact O-N 3.32Å; V118-C122 PolarHBondContact O-SG 3.19Å; V118-C122 VanDerWaalsContact O-SG 3.36Å
119K95.8Very high95.6Very high61 Ų6150.5 Ų50.527%0.26526%0.263SS..Hα-helixtrans-53.7-48.6175.5-179.3-178.6179.1174.40110.6L107 A110 L115 K116 C122 C123 N146 C147L107-K119 HydrophobicContact CD1-CB 4.43Å; L107-K119 HydrophobicContact CD1-CG 3.92Å; A110-K119 HydrophobicContact CB-CB 4.47Å; L115-K119 PolarHBondContact O-N 3.03Å; K116-K119 PolarHBondContact O-N 2.86Å; K119-C122 PolarHBondContact O-N 3.05Å; K119-C123 PolarHBondContact O-N 2.83Å; K119-C123 PolarHBondContact O-SG 2.85Å; K119-N146 PolarHBondContact NZ-O 3.1Å; K119-C147 WeakPolarHBondContact CE-SG 3.3Å
120Q95.5Very high95.6Very high120 Ų12051.7 Ų51.756%0.56127%0.269SS*.Hα-helixtrans-62.6-50.1178.6-178.8173.6-0.300111.9K116 V118 C122 C123 E124K116-Q120 WeakPolarHBondContact O-CB 3.35Å; K116-Q120 PolarHBondContact O-N 3.38Å; V118-Q120 VanDerWaalsContact C-N 3.28Å; V118-Q120 PolarHBondContact O-N 3.14Å; Q120-C122 VanDerWaalsContact C-N 3.28Å; Q120-C122 PolarHBondContact O-N 3.39Å; Q120-C123 PolarHBondContact O-N 2.92Å; Q120-E124 HydrophobicContact CG-CG 4.38Å; Q120-E124 VanDerWaalsContact CG-OE1 3.27Å; Q120-E124 WeakPolarHBondContact CG-OE1 3.2Å; Q120-E124 PolarHBondContact NE2-OE1 3.37Å; Q120-E124 WeakPolarHBondContact O-CG 3.32Å; Q120-E124 PolarHBondContact O-N 3.38Å
121A95.9Very high95.6Very high27 Ų2755 Ų5522%0.22329%0.287CS..Hα-helixtrans-59.4-37.5178.600000113V96 V98 G117 V118 F125V96-A121 HydrophobicContact CG1-CB 3.79Å; V98-A121 HydrophobicContact CG2-CB 4.38Å; G117-A121 WeakPolarHBondContact O-CB 3.17Å; G117-A121 PolarHBondContact O-N 2.7Å; V118-A121 PolarHBondContact O-N 2.84Å; A121-F125 WeakPolarHBondContact O-CB 3.36Å; A121-F125 PolarHBondContact O-N 3.03Å
122C97.2Very high95.7Very high0 Ų054.5 Ų54.50%028%0.283CS..Hα-helixtrans-67.1-39173.5-71.90000112.4V103 L107 V118 K119 Q120 F125 L126V103-C122 HydrophobicContact CG2-CB 4.15Å; L107-C122 HydrophobicContact CB-CB 4.01Å; L107-C122 HydrophobicContact CD1-CB 3.75Å; L107-C122 HydrophobicContact CG-CB 4.38Å; V118-C122 WeakPolarHBondContact O-CB 3.46Å; V118-C122 PolarHBondContact O-N 3.32Å; V118-C122 PolarHBondContact O-SG 3.19Å; V118-C122 VanDerWaalsContact O-SG 3.36Å; K119-C122 PolarHBondContact O-N 3.05Å; Q120-C122 VanDerWaalsContact C-N 3.28Å; Q120-C122 PolarHBondContact O-N 3.39Å; C122-F125 PolarHBondContact O-N 3.38Å; C122-L126 WeakPolarHBondContact O-CG 3.49Å; C122-L126 PolarHBondContact O-N 3Å
123C96.9Very high95.7Very high21 Ų2153.2 Ų53.214%0.14228%0.281CS..Hα-helixtrans-66.4-46.9177.1-65.70000111.4K119 Q120 F125 L126 E127 L150K119-C123 PolarHBondContact O-N 2.83Å; K119-C123 PolarHBondContact O-SG 2.85Å; Q120-C123 PolarHBondContact O-N 2.92Å; C123-F125 VanDerWaalsContact C-N 3.29Å; C123-F125 PolarHBondContact O-N 3.15Å; C123-L126 PolarHBondContact O-N 3.23Å; C123-E127 WeakPolarHBondContact O-CB 3.18Å; C123-E127 PolarHBondContact O-N 2.88Å; C123-L150 HydrophobicContact CB-CB 4.28Å; C123-L150 HydrophobicContact CB-CD2 4.39Å
124E96.1Very high95.8Very high108 Ų10855.2 Ų55.251%0.50529%0.291SS..Hα-helixtrans-59.8-39.9176-70.2171.5-174.200111.6Q120 S128Q120-E124 HydrophobicContact CG-CG 4.38Å; Q120-E124 VanDerWaalsContact CG-OE1 3.27Å; Q120-E124 WeakPolarHBondContact CG-OE1 3.2Å; Q120-E124 PolarHBondContact NE2-OE1 3.37Å; Q120-E124 WeakPolarHBondContact O-CG 3.32Å; Q120-E124 PolarHBondContact O-N 3.38Å; E124-S128 PolarHBondContact O-N 3.22Å; E124-S128 VanDerWaalsContact O-N 3.11Å
125F97Very high95.8Very high48 Ų4850.6 Ų50.621%0.21127%0.27CS..Hα-helixtrans-62.8-50.1174.3178.9-98.5000111.9V98 V100 V103 A121 C122 C123 E127 S128 Q129V98-F125 HydrophobicContact CB-CB 4.29Å; V98-F125 HydrophobicContact CB-CD2 4.46Å; V98-F125 HydrophobicContact CB-CG 4.19Å; V98-F125 HydrophobicContact CG1-CB 3.81Å; V98-F125 HydrophobicContact CG1-CD1 3.61Å; V98-F125 HydrophobicContact CG1-CD2 4.29Å; V98-F125 HydrophobicContact CG1-CE1 4.26Å; V98-F125 HydrophobicContact CG1-CG 3.63Å; V100-F125 HydrophobicContact CG2-CE1 4.3Å; V100-F125 HydrophobicContact CG2-CZ 3.88Å; V103-F125 HydrophobicContact CB-CD1 4.3Å; V103-F125 HydrophobicContact CB-CE1 4.41Å; V103-F125 HydrophobicContact CG1-CD1 4.49Å; V103-F125 HydrophobicContact CG1-CE1 4.28Å; V103-F125 HydrophobicContact CG2-CD1 4.19Å; A121-F125 WeakPolarHBondContact O-CB 3.36Å; A121-F125 PolarHBondContact O-N 3.03Å; C122-F125 PolarHBondContact O-N 3.38Å; C123-F125 VanDerWaalsContact C-N 3.29Å; C123-F125 PolarHBondContact O-N 3.15Å; F125-E127 VanDerWaalsContact C-N 3.35Å; F125-E127 PolarHBondContact O-N 3.21Å; F125-S128 PolarHBondContact O-N 3.31Å; F125-S128 PolarHBondContact O-OG 3.3Å; F125-Q129 HydrophobicContact CE1-CG 4.2Å; F125-Q129 HydrophobicContact CE2-CG 4.41Å; F125-Q129 HydrophobicContact CZ-CG 4.11Å; F125-Q129 WeakPolarHBondContact O-CG 3.35Å; F125-Q129 PolarHBondContact O-N 3.45Å
126L97.2Very high95.8Very high15 Ų1550.6 Ų50.68%0.07927%0.27CS..Hα-helixtrans-62.7-40.5179.7-73.3170000112.3V103 L107 C122 C123 S128 Q129 L130 I138 F141 L150V103-L126 HydrophobicContact CG1-CD2 3.97Å; V103-L126 HydrophobicContact CG2-CD1 3.99Å; V103-L126 HydrophobicContact CG2-CD2 3.96Å; V103-L126 HydrophobicContact CG2-CG 3.81Å; L107-L126 HydrophobicContact CD2-CD1 4.02Å; C122-L126 WeakPolarHBondContact O-CG 3.49Å; C122-L126 PolarHBondContact O-N 3Å; C123-L126 PolarHBondContact O-N 3.23Å; L126-S128 VanDerWaalsContact C-N 3.3Å; L126-S128 PolarHBondContact O-N 3.49Å; L126-Q129 CarbonylContact O-C 3.56Å; L126-Q129 PolarHBondContact O-N 3.42Å; L126-L130 PolarHBondContact O-N 3.12Å; L126-I138 HydrophobicContact CB-CG2 4.41Å; L126-I138 HydrophobicContact CD2-CD1 4.46Å; L126-I138 HydrophobicContact CD2-CG1 4.47Å; L126-F141 HydrophobicContact CD1-CD1 4.01Å; L126-F141 HydrophobicContact CD1-CE1 3.94Å; L126-L150 HydrophobicContact CB-CD1 3.93Å; L126-L150 HydrophobicContact CB-CD2 3.92Å; L126-L150 HydrophobicContact CD1-CD2 3.65Å; L126-L150 HydrophobicContact CG-CD2 4.44Å
127E95.4Very high95.9Very high98 Ų9845.1 Ų45.146%0.45825%0.254SS..Hα-helixtrans-60.6-41.3176.3-170.6175.7171.100111.3C123 F125 Q129 L130 L150 A153C123-E127 WeakPolarHBondContact O-CB 3.18Å; C123-E127 PolarHBondContact O-N 2.88Å; F125-E127 VanDerWaalsContact C-N 3.35Å; F125-E127 PolarHBondContact O-N 3.21Å; E127-Q129 PolarHBondContact O-N 3.06Å; E127-L130 HydrophobicContact CG-CD1 4.19Å; E127-L130 WeakPolarHBondContact O-CG 3.39Å; E127-L130 PolarHBondContact O-N 3.11Å; E127-L150 HydrophobicContact CB-CD1 4.01Å; E127-A153 HydrophobicContact CG-CB 4.15Å
128S94.7Very high96Very high80 Ų8044.2 Ų44.256%0.55924%0.24SC*.THydrogen-bonded Turntrans-67.3-12.7175.280.90000114.7E124 F125 L126E124-S128 PolarHBondContact O-N 3.22Å; E124-S128 VanDerWaalsContact O-N 3.11Å; F125-S128 PolarHBondContact O-N 3.31Å; F125-S128 PolarHBondContact O-OG 3.3Å; L126-S128 VanDerWaalsContact C-N 3.3Å; L126-S128 PolarHBondContact O-N 3.49Å
129Q94.9Very high95.9Very high94 Ų9444.5 Ų44.544%0.43924%0.242SC..THydrogen-bonded Turntrans-111.29.2-178.6-62.5-58.6-7000112.9F125 L126 E127 D131 N134F125-Q129 HydrophobicContact CE1-CG 4.2Å; F125-Q129 HydrophobicContact CE2-CG 4.41Å; F125-Q129 HydrophobicContact CZ-CG 4.11Å; F125-Q129 WeakPolarHBondContact O-CG 3.35Å; F125-Q129 PolarHBondContact O-N 3.45Å; L126-Q129 CarbonylContact O-C 3.56Å; L126-Q129 PolarHBondContact O-N 3.42Å; E127-Q129 PolarHBondContact O-N 3.06Å; Q129-D131 PolarHBondContact O-N 2.73Å; Q129-N134 PolarHBondContact O-ND2 2.87Å
130L95.3Very high95.8Very high28 Ų2843.3 Ų43.315%0.14724%0.238CC..  trans-58.1126.4175.5-76.9169.6000110.8L126 E127 C135 I138 A153 A154 F157L126-L130 PolarHBondContact O-N 3.12Å; E127-L130 HydrophobicContact CG-CD1 4.19Å; E127-L130 WeakPolarHBondContact O-CG 3.39Å; E127-L130 PolarHBondContact O-N 3.11Å; L130-C135 HydrophobicContact CD2-CB 4.02Å; L130-I138 HydrophobicContact CD2-CB 4.26Å; L130-I138 HydrophobicContact CD2-CD1 3.98Å; L130-I138 HydrophobicContact CD2-CG2 3.99Å; L130-A153 HydrophobicContact CD1-CB 4.37Å; L130-A154 HydrophobicContact CD2-CB 3.83Å; L130-F157 HydrophobicContact CB-CD1 4.47Å; L130-F157 HydrophobicContact CB-CD2 3.96Å; L130-F157 HydrophobicContact CB-CE2 4.1Å; L130-F157 HydrophobicContact CB-CG 4.15Å; L130-F157 HydrophobicContact CB-CZ 4.43Å; L130-F157 HydrophobicContact CD1-CB 4.23Å; L130-F157 HydrophobicContact CD1-CD2 4.42Å; L130-F157 HydrophobicContact CD1-CG 4.42Å
131D96.7Very high95.8Very high69 Ų6939.5 Ų39.537%0.36922%0.22SC..  trans-141.2151.8179.6-178.382.1000109.3Q129 S133 N134 C135Q129-D131 PolarHBondContact O-N 2.73Å; D131-S133 PolarHBondContact O-N 2.91Å; D131-S133 VanDerWaalsContact OD2-CB 3.24Å; D131-S133 WeakPolarHBondContact OD2-CB 3.38Å; D131-S133 PolarHBondContact OD2-N 3.47Å; D131-S133 PolarHBondContact OD2-OG 3.31Å; D131-N134 PolarHBondContact N-OD1 3.46Å; D131-N134 PolarHBondContact O-N 3.43Å; D131-N134 PolarHBondContact O-OD1 3.21Å; D131-N134 VanDerWaalsContact O-OD1 3.06Å; D131-C135 WeakPolarHBondContact O-CB 3.43Å; D131-C135 PolarHBondContact O-N 2.87Å
132P95.8Very high95.8Very high22 Ų2238.2 Ų38.214%0.14321%0.209CC..THydrogen-bonded Turntrans-54.9-25.5178.1-28.937.8000114F157 H161 E164 V165P132-F157 HydrophobicContact CG-CE1 4.13Å; P132-F157 HydrophobicContact CG-CZ 4.43Å; P132-H161 HydrophobicContact CG-CB 4.16Å; P132-E164 HydrophobicContact CB-CB 3.73Å; P132-E164 HydrophobicContact CG-CB 4.02Å; P132-V165 HydrophobicContact CB-CG2 4.01Å
133S96.1Very high95.6Very high49 Ų4943.1 Ų43.134%0.34323%0.232SC..THydrogen-bonded Turntrans-79.7-17.5178.567.70000115.8D131 E170D131-S133 PolarHBondContact O-N 2.91Å; D131-S133 VanDerWaalsContact OD2-CB 3.24Å; D131-S133 WeakPolarHBondContact OD2-CB 3.38Å; D131-S133 PolarHBondContact OD2-N 3.47Å; D131-S133 PolarHBondContact OD2-OG 3.31Å; S133-E170 WeakPolarHBondContact O-CG 3.27Å
134N95.4Very high95.5Very high42 Ų4246.9 Ų46.923%0.22526%0.255CS..THydrogen-bonded Turntrans-128-10.2-171.471.223.1000115Q129 D131 L136 G137 I138 E170Q129-N134 PolarHBondContact O-ND2 2.87Å; D131-N134 PolarHBondContact N-OD1 3.46Å; D131-N134 PolarHBondContact O-N 3.43Å; D131-N134 PolarHBondContact O-OD1 3.21Å; D131-N134 VanDerWaalsContact O-OD1 3.06Å; N134-L136 VanDerWaalsContact C-N 3.27Å; N134-L136 PolarHBondContact O-N 3.33Å; N134-G137 PolarHBondContact O-N 2.8Å; N134-I138 HydrophobicContact CB-CD1 4.39Å; N134-I138 WeakPolarHBondContact O-CG1 3.22Å; N134-I138 PolarHBondContact O-N 2.95Å; N134-I138 WeakPolarHBondContact OD1-CD1 3.48Å; N134-E170 WeakPolarHBondContact CA-OE1 3.42Å; N134-E170 WeakPolarHBondContact CA-OE2 3.48Å
135C96.3Very high95.4Very high0 Ų043.8 Ų43.80%024%0.24CC..Hα-helixtrans-65-29.8-169.565.10000113.4L130 D131 R139 F157 V165L130-C135 HydrophobicContact CD2-CB 4.02Å; D131-C135 WeakPolarHBondContact O-CB 3.43Å; D131-C135 PolarHBondContact O-N 2.87Å; C135-R139 WeakPolarHBondContact O-CB 3.25Å; C135-R139 PolarHBondContact O-N 2.92Å; C135-F157 HydrophobicContact CB-CD1 3.73Å; C135-F157 HydrophobicContact CB-CE1 4.3Å; C135-V165 VanDerWaalsContact SG-CG2 3.52Å
136L96.4Very high95.2Very high2 Ų247.5 Ų47.51%0.0126%0.262CS..Hα-helixtrans-72.2-43.9178.1-64.2173.4000110.4N134 R139 D140 V165 E170 F171 L174 L182N134-L136 VanDerWaalsContact C-N 3.27Å; N134-L136 PolarHBondContact O-N 3.33Å; L136-R139 WeakPolarHBondContact O-CB 3.41Å; L136-R139 PolarHBondContact O-N 3.46Å; L136-D140 VanDerWaalsContact O-CG 3.27Å; L136-D140 PolarHBondContact O-N 2.89Å; L136-V165 HydrophobicContact CD1-CG1 3.54Å; L136-V165 HydrophobicContact CD2-CG1 4.18Å; L136-V165 HydrophobicContact CG-CG1 3.76Å; L136-E170 HydrophobicContact CB-CB 4.19Å; L136-E170 HydrophobicContact CD1-CB 4.35Å; L136-E170 PolarHBondContact N-OE2 3.47Å; L136-F171 HydrophobicContact CD1-CB 3.84Å; L136-F171 HydrophobicContact CD1-CD2 4.33Å; L136-L174 HydrophobicContact CD1-CD1 3.95Å; L136-L174 HydrophobicContact CD1-CG 4.43Å; L136-L182 HydrophobicContact CD2-CD2 4.48Å
137G94.5Very high95.1Very high28 Ų2847.1 Ų47.129%0.28926%0.26SS..Hα-helixtrans-62.9-41.7174.200000112.2N134 D140 F141 E170N134-G137 PolarHBondContact O-N 2.8Å; G137-D140 PolarHBondContact O-N 2.91Å; G137-F141 VanDerWaalsContact O-CB 3.22Å; G137-F141 WeakPolarHBondContact O-CB 3.45Å; G137-F141 PolarHBondContact O-N 3.32Å; G137-E170 PolarHBondContact N-OE2 3.43Å
138I96.1Very high95Very high16 Ų1646.6 Ų46.68%0.08226%0.264CS..Hα-helixtrans-62.9-41.8174.8-69.8173.6000111.1L126 L130 N134 F141 A142 L150 A154L126-I138 HydrophobicContact CB-CG2 4.41Å; L126-I138 HydrophobicContact CD2-CD1 4.46Å; L126-I138 HydrophobicContact CD2-CG1 4.47Å; L130-I138 HydrophobicContact CD2-CB 4.26Å; L130-I138 HydrophobicContact CD2-CD1 3.98Å; L130-I138 HydrophobicContact CD2-CG2 3.99Å; N134-I138 HydrophobicContact CB-CD1 4.39Å; N134-I138 WeakPolarHBondContact O-CG1 3.22Å; N134-I138 PolarHBondContact O-N 2.95Å; N134-I138 WeakPolarHBondContact OD1-CD1 3.48Å; I138-F141 PolarHBondContact O-N 3.18Å; I138-A142 VanDerWaalsContact O-CB 3.25Å; I138-A142 WeakPolarHBondContact O-CB 3.36Å; I138-A142 PolarHBondContact O-N 3.46Å; I138-L150 HydrophobicContact CG2-CD1 3.93Å; I138-L150 HydrophobicContact CG2-CD2 4.21Å; I138-L150 HydrophobicContact CG2-CG 4.08Å; I138-A154 HydrophobicContact CG2-CB 4.19Å
139R95.4Very high94.9Very high7 Ų749 Ų493%0.02627%0.271CS..Hα-helixtrans-58.5-50.4175.4-178.5-157.869.6-162.8-2.4111.2C135 L136 F141 A142 E143 M151 A154 E178C135-R139 WeakPolarHBondContact O-CB 3.25Å; C135-R139 PolarHBondContact O-N 2.92Å; L136-R139 WeakPolarHBondContact O-CB 3.41Å; L136-R139 PolarHBondContact O-N 3.46Å; R139-F141 VanDerWaalsContact C-N 3.32Å; R139-F141 PolarHBondContact O-N 3.34Å; R139-A142 WeakPolarHBondContact O-CB 3.22Å; R139-A142 PolarHBondContact O-N 3.26Å; R139-E143 PolarHBondContact O-N 3.43Å; R139-M151 HydrophobicContact CG-CG 4.05Å; R139-A154 HydrophobicContact CB-CB 3.82Å; R139-E178 IonicContact NH2-OE1 3.11Å
140D93.8Very high94.9Very high36 Ų3644.7 Ų44.719%0.19325%0.251CS..Hα-helixtrans-68-35.8-176.7-61.9-17.3000111.5L136 G137 E143 T144L136-D140 VanDerWaalsContact O-CG 3.27Å; L136-D140 PolarHBondContact O-N 2.89Å; G137-D140 PolarHBondContact O-N 2.91Å; D140-E143 PolarHBondContact O-N 3.24Å; D140-T144 WeakPolarHBondContact O-CB 3.47Å; D140-T144 PolarHBondContact O-N 3.23Å; D140-T144 PolarHBondContact O-OG1 3.38Å
141F94.3Very high94.9Very high40 Ų4045.4 Ų45.418%0.17525%0.254CS..Hα-helixtrans-63.7-44.1172.2-175.3-118.8000111.7L107 P108 L126 G137 I138 R139 T144 H145L107-F141 HydrophobicContact CB-CE1 4.02Å; L107-F141 HydrophobicContact CB-CZ 4.07Å; L107-F141 HydrophobicContact CD2-CD1 3.89Å; L107-F141 HydrophobicContact CD2-CE1 3.33Å; L107-F141 HydrophobicContact CD2-CZ 4.02Å; L107-F141 HydrophobicContact CG-CE1 4.17Å; L107-F141 HydrophobicContact CG-CZ 4.44Å; P108-F141 HydrophobicContact CG-CE2 3.97Å; P108-F141 HydrophobicContact CG-CZ 3.96Å; L126-F141 HydrophobicContact CD1-CD1 4.01Å; L126-F141 HydrophobicContact CD1-CE1 3.94Å; G137-F141 VanDerWaalsContact O-CB 3.22Å; G137-F141 WeakPolarHBondContact O-CB 3.45Å; G137-F141 PolarHBondContact O-N 3.32Å; I138-F141 PolarHBondContact O-N 3.18Å; R139-F141 VanDerWaalsContact C-N 3.32Å; R139-F141 PolarHBondContact O-N 3.34Å; F141-T144 PolarHBondContact O-N 2.92Å; F141-H145 AromaticContact CD2-CD2 3.65Å; F141-H145 AromaticContact CD2-NE2 3.72Å; F141-H145 AromaticContact CE2-CD2 3.49Å; F141-H145 VanDerWaalsContact CE2-CD2 3.49Å; F141-H145 WeakPolarHBondContact CE2-CD2 3.38Å; F141-H145 AromaticContact CE2-NE2 3.36Å; F141-H145 WeakPolarHBondContact CE2-NE2 3.39Å; F141-H145 AromaticContact CZ-CD2 3.92Å; F141-H145 PolarHBondContact O-CD2 2.92Å; F141-H145 PolarHBondContact O-N 3.03Å
142A95.7Very high94.7Very high0 Ų047.7 Ų47.70%026%0.262CS..Hα-helixtrans-65-40.9176.400000112I138 R139 H145 N146 C147 L150 M151I138-A142 VanDerWaalsContact O-CB 3.25Å; I138-A142 WeakPolarHBondContact O-CB 3.36Å; I138-A142 PolarHBondContact O-N 3.46Å; R139-A142 WeakPolarHBondContact O-CB 3.22Å; R139-A142 PolarHBondContact O-N 3.26Å; A142-H145 CarbonylContact O-C 3.4Å; A142-H145 PolarHBondContact O-N 3.04Å; A142-N146 PolarHBondContact O-N 3.47Å; A142-C147 HydrophobicContact CB-CB 4.01Å; A142-C147 PolarHBondContact O-N 3.27Å; A142-L150 HydrophobicContact CB-CB 4.1Å; A142-L150 HydrophobicContact CB-CD2 3.86Å; A142-L150 HydrophobicContact CB-CG 3.86Å; A142-M151 HydrophobicContact CB-CB 3.78Å
143E94.5Very high94.5Very high102 Ų10247.7 Ų47.748%0.47726%0.264SS..Hα-helixtrans-61.4-48175.1-174.6168.6-162.800111R139 D140 H145 N146 M151R139-E143 PolarHBondContact O-N 3.43Å; D140-E143 PolarHBondContact O-N 3.24Å; E143-H145 PolarHBondContact O-N 3.33Å; E143-H145 VanDerWaalsContact O-N 3.14Å; E143-N146 PolarHBondContact O-N 2.69Å; E143-N146 VanDerWaalsContact O-N 3.1Å; E143-M151 HydrophobicContact CB-CG 4.35Å; E143-M151 HydrophobicContact CB-SD 3.76Å; E143-M151 HydrophobicContact CG-SD 3.98Å
144T93.9Very high94.5Very high101 Ų10145.4 Ų45.462%0.6225%0.248SC*.Hα-helixtrans-56.4-33.1178.2-60.20000112.6D140 F141D140-T144 WeakPolarHBondContact O-CB 3.47Å; D140-T144 PolarHBondContact O-N 3.23Å; D140-T144 PolarHBondContact O-OG1 3.38Å; F141-T144 PolarHBondContact O-N 2.92Å
145H93.4Very high94.3Very high42 Ų4245.5 Ų45.519%0.19425%0.247CC..THydrogen-bonded Turntrans-104.210.5-178.2-62.8-53.7000114.5P108 F141 A142 E143 C147P108-H145 WeakPolarHBondContact CG-NE2 3.34Å; F141-H145 AromaticContact CD2-CD2 3.65Å; F141-H145 AromaticContact CD2-NE2 3.72Å; F141-H145 AromaticContact CE2-CD2 3.49Å; F141-H145 VanDerWaalsContact CE2-CD2 3.49Å; F141-H145 WeakPolarHBondContact CE2-CD2 3.38Å; F141-H145 AromaticContact CE2-NE2 3.36Å; F141-H145 WeakPolarHBondContact CE2-NE2 3.39Å; F141-H145 AromaticContact CZ-CD2 3.92Å; F141-H145 PolarHBondContact O-CD2 2.92Å; F141-H145 PolarHBondContact O-N 3.03Å; A142-H145 CarbonylContact O-C 3.4Å; A142-H145 PolarHBondContact O-N 3.04Å; E143-H145 PolarHBondContact O-N 3.33Å; E143-H145 VanDerWaalsContact O-N 3.14Å; H145-C147 VanDerWaalsContact C-N 3.29Å; H145-C147 PolarHBondContact O-N 3.49Å
146N93.4Very high94Very high127 Ų12749.2 Ų49.268%0.67927%0.269SS*.THydrogen-bonded Turntrans51.446.9-178.2-60.2-71.6000112.3K119 A142 E143K119-N146 PolarHBondContact NZ-O 3.1Å; A142-N146 PolarHBondContact O-N 3.47Å; E143-N146 PolarHBondContact O-N 2.69Å; E143-N146 VanDerWaalsContact O-N 3.1Å
147C94.6Very high93.8Very high6 Ų651.2 Ų51.24%0.04128%0.278CS..  trans-96.777.6171.9-61.80000108.8K119 A142 H145 D149 L150 M151K119-C147 WeakPolarHBondContact CE-SG 3.3Å; A142-C147 HydrophobicContact CB-CB 4.01Å; A142-C147 PolarHBondContact O-N 3.27Å; H145-C147 VanDerWaalsContact C-N 3.29Å; H145-C147 PolarHBondContact O-N 3.49Å; C147-D149 PolarHBondContact O-N 2.94Å; C147-L150 HydrophobicContact CB-CB 4.15Å; C147-L150 PolarHBondContact O-N 3.46Å; C147-M151 WeakPolarHBondContact O-CB 3.4Å; C147-M151 PolarHBondContact O-N 2.9Å
148V94Very high93.7Very high87 Ų8749.9 Ų49.953%0.52727%0.265SS..Hα-helixtrans-59.9-44.9-169.3-177.60000112.5M151 Q152V148-M151 PolarHBondContact O-N 3.43Å; V148-Q152 WeakPolarHBondContact O-CB 3.39Å; V148-Q152 PolarHBondContact O-N 2.92Å
149D92.4Very high93.5Very high132 Ų13250.5 Ų50.571%0.70627%0.267SS*.Hα-helixtrans-64.4-45.5-177.9-54.4-40.2000111.6C147 Q152 A153C147-D149 PolarHBondContact O-N 2.94Å; D149-Q152 PolarHBondContact O-N 3.26Å; D149-A153 WeakPolarHBondContact O-CB 3.33Å; D149-A153 PolarHBondContact O-N 2.87Å
150L95.7Very high93Very high3 Ų352.9 Ų52.92%0.01628%0.278CS..Hα-helixtrans-63.8-42.2175.7177.564000112C123 L126 E127 I138 A142 C147 Q152 A153 A154C123-L150 HydrophobicContact CB-CB 4.28Å; C123-L150 HydrophobicContact CB-CD2 4.39Å; L126-L150 HydrophobicContact CB-CD1 3.93Å; L126-L150 HydrophobicContact CB-CD2 3.92Å; L126-L150 HydrophobicContact CD1-CD2 3.65Å; L126-L150 HydrophobicContact CG-CD2 4.44Å; E127-L150 HydrophobicContact CB-CD1 4.01Å; I138-L150 HydrophobicContact CG2-CD1 3.93Å; I138-L150 HydrophobicContact CG2-CD2 4.21Å; I138-L150 HydrophobicContact CG2-CG 4.08Å; A142-L150 HydrophobicContact CB-CB 4.1Å; A142-L150 HydrophobicContact CB-CD2 3.86Å; A142-L150 HydrophobicContact CB-CG 3.86Å; C147-L150 HydrophobicContact CB-CB 4.15Å; C147-L150 PolarHBondContact O-N 3.46Å; L150-Q152 VanDerWaalsContact C-N 3.31Å; L150-Q152 PolarHBondContact O-N 2.78Å; L150-A153 PolarHBondContact O-N 3.06Å; L150-A154 WeakPolarHBondContact O-CB 3.35Å; L150-A154 PolarHBondContact O-N 2.98Å
151M95.5Very high92.8Very high43 Ų4353.7 Ų53.721%0.21228%0.28CS..Hα-helixtrans-60.2-43.9177-177.6-170.574.300110.6R139 A142 E143 C147 V148 E155R139-M151 HydrophobicContact CG-CG 4.05Å; A142-M151 HydrophobicContact CB-CB 3.78Å; E143-M151 HydrophobicContact CB-CG 4.35Å; E143-M151 HydrophobicContact CB-SD 3.76Å; E143-M151 HydrophobicContact CG-SD 3.98Å; C147-M151 WeakPolarHBondContact O-CB 3.4Å; C147-M151 PolarHBondContact O-N 2.9Å; V148-M151 PolarHBondContact O-N 3.43Å; M151-E155 WeakPolarHBondContact O-CB 3.38Å; M151-E155 PolarHBondContact O-N 3.27Å
152Q92.3Very high92.8Very high116 Ų11651.8 Ų51.854%0.54227%0.272SS..Hα-helixtrans-66.9-43.1177.3-175.6174.6-3.700111.8V148 D149 L150 A154 E155 V156V148-Q152 WeakPolarHBondContact O-CB 3.39Å; V148-Q152 PolarHBondContact O-N 2.92Å; D149-Q152 PolarHBondContact O-N 3.26Å; L150-Q152 VanDerWaalsContact C-N 3.31Å; L150-Q152 PolarHBondContact O-N 2.78Å; Q152-A154 PolarHBondContact O-N 3.27Å; Q152-E155 PolarHBondContact O-N 3.01Å; Q152-V156 WeakPolarHBondContact O-CG2 3.31Å; Q152-V156 PolarHBondContact O-N 2.92Å
153A91.4Very high92.6Very high23 Ų2353.4 Ų53.419%0.1928%0.283CS..Hα-helixtrans-59.7-45.8176.200000111.5E127 L130 D149 L150 V156 F157E127-A153 HydrophobicContact CG-CB 4.15Å; L130-A153 HydrophobicContact CD1-CB 4.37Å; D149-A153 WeakPolarHBondContact O-CB 3.33Å; D149-A153 PolarHBondContact O-N 2.87Å; L150-A153 PolarHBondContact O-N 3.06Å; A153-V156 PolarHBondContact O-N 3.39Å; A153-F157 WeakPolarHBondContact O-CB 3.47Å; A153-F157 PolarHBondContact O-N 3.3Å
154A94.9Very high92.6Very high0 Ų052.5 Ų52.50%028%0.278CS..Hα-helixtrans-64.6-39.3175.800000112.7L130 I138 R139 L150 Q152 F157 S158L130-A154 HydrophobicContact CD2-CB 3.83Å; I138-A154 HydrophobicContact CG2-CB 4.19Å; R139-A154 HydrophobicContact CB-CB 3.82Å; L150-A154 WeakPolarHBondContact O-CB 3.35Å; L150-A154 PolarHBondContact O-N 2.98Å; Q152-A154 PolarHBondContact O-N 3.27Å; A154-F157 PolarHBondContact O-N 2.93Å; A154-S158 WeakPolarHBondContact O-CB 3.39Å; A154-S158 PolarHBondContact O-N 2.84Å; A154-S158 PolarHBondContact O-OG 3.25Å
155E92.7Very high92.8Very high44 Ų4447.7 Ų47.721%0.20625%0.249CC..Hα-helixtrans-64.7-47.1176.5-178.7153.3-152.900111.5M151 Q152 F157 S158 Q159 K181M151-E155 WeakPolarHBondContact O-CB 3.38Å; M151-E155 PolarHBondContact O-N 3.27Å; Q152-E155 PolarHBondContact O-N 3.01Å; E155-F157 VanDerWaalsContact C-N 3.34Å; E155-F157 PolarHBondContact O-N 3.02Å; E155-S158 PolarHBondContact O-N 2.61Å; E155-S158 PolarHBondContact O-OG 2.79Å; E155-Q159 VanDerWaalsContact CG-NE2 3.34Å; E155-Q159 VanDerWaalsContact O-CG 3.27Å; E155-Q159 WeakPolarHBondContact O-CG 3.25Å; E155-Q159 PolarHBondContact O-N 3.5Å; E155-K181 VanDerWaalsContact OE1-CE 3.25Å; E155-K181 WeakPolarHBondContact OE1-CE 3.43Å; E155-K181 IonicContact OE1-NZ 2.76Å; E155-K181 PolarHBondContact OE1-NZ 2.8Å; E155-K181 IonicContact OE2-NZ 3.76Å
156V89.5Confident92.9Very high78 Ų7846.3 Ų46.347%0.47324%0.243SC..Hα-helixtrans-60.6-43.7174.9171.90000111.2Q152 A153 S158 Q159 K160Q152-V156 WeakPolarHBondContact O-CG2 3.31Å; Q152-V156 PolarHBondContact O-N 2.92Å; A153-V156 PolarHBondContact O-N 3.39Å; V156-S158 PolarHBondContact O-N 3.3Å; V156-Q159 PolarHBondContact O-N 3.5Å; V156-K160 WeakPolarHBondContact O-CB 3.37Å; V156-K160 PolarHBondContact O-N 3.21Å
157F91.9Very high93Very high44 Ų4447.5 Ų47.519%0.19325%0.245CC..Hα-helixtrans-60-46176.7-171.4-81.1000111.6L130 P132 C135 A153 A154 E155 Q159 K160 H161L130-F157 HydrophobicContact CB-CD1 4.47Å; L130-F157 HydrophobicContact CB-CD2 3.96Å; L130-F157 HydrophobicContact CB-CE2 4.1Å; L130-F157 HydrophobicContact CB-CG 4.15Å; L130-F157 HydrophobicContact CB-CZ 4.43Å; L130-F157 HydrophobicContact CD1-CB 4.23Å; L130-F157 HydrophobicContact CD1-CD2 4.42Å; L130-F157 HydrophobicContact CD1-CG 4.42Å; P132-F157 HydrophobicContact CG-CE1 4.13Å; P132-F157 HydrophobicContact CG-CZ 4.43Å; C135-F157 HydrophobicContact CB-CD1 3.73Å; C135-F157 HydrophobicContact CB-CE1 4.3Å; A153-F157 WeakPolarHBondContact O-CB 3.47Å; A153-F157 PolarHBondContact O-N 3.3Å; A154-F157 PolarHBondContact O-N 2.93Å; E155-F157 VanDerWaalsContact C-N 3.34Å; E155-F157 PolarHBondContact O-N 3.02Å; F157-Q159 VanDerWaalsContact C-N 3.27Å; F157-Q159 PolarHBondContact O-N 3.48Å; F157-K160 PolarHBondContact O-N 3.49Å; F157-H161 AromaticContact CD1-CD2 3.97Å; F157-H161 AromaticContact CD2-CD2 3.96Å; F157-H161 HydrophobicContact CE1-CB 4.31Å; F157-H161 AromaticContact CE1-CD2 3.67Å; F157-H161 AromaticContact CE2-CD2 3.68Å; F157-H161 AromaticContact CE2-NE2 3.94Å; F157-H161 AromaticContact CZ-CD2 3.53Å; F157-H161 PolarHBondContact O-N 2.94Å
158S93.4Very high93Very high1 Ų150.5 Ų50.51%0.00726%0.258CS..Hα-helixtrans-64.1-31.7179.774.90000113.2A154 E155 V156 F162A154-S158 WeakPolarHBondContact O-CB 3.39Å; A154-S158 PolarHBondContact O-N 2.84Å; A154-S158 PolarHBondContact O-OG 3.25Å; E155-S158 PolarHBondContact O-N 2.61Å; E155-S158 PolarHBondContact O-OG 2.79Å; V156-S158 PolarHBondContact O-N 3.3Å; S158-F162 VanDerWaalsContact O-CA 3.32Å; S158-F162 WeakPolarHBondContact O-CA 3.47Å; S158-F162 PolarHBondContact O-N 2.72Å
159Q90.8Very high93Very high28 Ų2853.3 Ų53.313%0.13127%0.265CS..Hα-helixtrans-73.5-41.3176.1-70166.812.100111.4E155 V156 F157 I188 Q189E155-Q159 VanDerWaalsContact CG-NE2 3.34Å; E155-Q159 VanDerWaalsContact O-CG 3.27Å; E155-Q159 WeakPolarHBondContact O-CG 3.25Å; E155-Q159 PolarHBondContact O-N 3.5Å; V156-Q159 PolarHBondContact O-N 3.5Å; F157-Q159 VanDerWaalsContact C-N 3.27Å; F157-Q159 PolarHBondContact O-N 3.48Å; Q159-I188 HydrophobicContact CB-CG2 4.46Å; Q159-I188 HydrophobicContact CG-CG2 4.2Å; Q159-Q189 PolarHBondContact O-N 3.26Å
160K85.3Confident93.1Very high58 Ų5849.7 Ų49.725%0.25224%0.244SC..Hα-helixtrans-66.8-41.1179.2-179.1175.8176.91740112.9V156 F157 K568V156-K160 WeakPolarHBondContact O-CB 3.37Å; V156-K160 PolarHBondContact O-N 3.21Å; F157-K160 PolarHBondContact O-N 3.49Å; K160-K568 VanDerWaalsContact CE-OXT 3.26Å; K160-K568 WeakPolarHBondContact CE-OXT 3.35Å; K160-K568 PolarHBondContact NZ-OXT 3.37Å
161H89.8Confident93.1Very high52 Ų5249.5 Ų49.524%0.24124%0.243CC..THydrogen-bonded Turntrans-104.229.5-178.5-63.3-70.1000112.3P132 F157 P163 E164 V165P132-H161 HydrophobicContact CG-CB 4.16Å; F157-H161 AromaticContact CD1-CD2 3.97Å; F157-H161 AromaticContact CD2-CD2 3.96Å; F157-H161 HydrophobicContact CE1-CB 4.31Å; F157-H161 AromaticContact CE1-CD2 3.67Å; F157-H161 AromaticContact CE2-CD2 3.68Å; F157-H161 AromaticContact CE2-NE2 3.94Å; F157-H161 AromaticContact CZ-CD2 3.53Å; F157-H161 PolarHBondContact O-N 2.94Å; H161-P163 VanDerWaalsContact C-CD 3.5Å; H161-E164 VanDerWaalsContact C-OE2 3.27Å; H161-E164 WeakPolarHBondContact CA-OE2 3.35Å; H161-E164 PolarHBondContact O-N 3.47Å; H161-E164 VanDerWaalsContact O-N 3.12Å; H161-E164 VanDerWaalsContact O-OE2 3.06Å; H161-V165 HydrophobicContact CB-CG2 4.3Å; H161-V165 WeakPolarHBondContact O-CG2 3.26Å; H161-V165 PolarHBondContact O-N 2.77Å
162F93.5Very high93.1Very high0 Ų048.7 Ų48.70%024%0.239CC..Hα-helixtrans-53.3-46.3-173.4176.9-89000113.7S158 E164 V165 V166 L182 I188 V190 P195 V196 A199S158-F162 VanDerWaalsContact O-CA 3.32Å; S158-F162 WeakPolarHBondContact O-CA 3.47Å; S158-F162 PolarHBondContact O-N 2.72Å; F162-E164 VanDerWaalsContact C-N 3.26Å; F162-E164 PolarHBondContact O-N 3.43Å; F162-V165 PolarHBondContact O-N 2.71Å; F162-V166 HydrophobicContact CD1-CG1 4.31Å; F162-V166 HydrophobicContact CD2-CG1 4.04Å; F162-V166 HydrophobicContact CE1-CG1 3.87Å; F162-V166 HydrophobicContact CE2-CG1 3.56Å; F162-V166 HydrophobicContact CG-CG1 4.4Å; F162-V166 HydrophobicContact CZ-CG1 3.49Å; F162-V166 VanDerWaalsContact CZ-CG1 3.49Å; F162-V166 WeakPolarHBondContact O-CG1 3.19Å; F162-V166 WeakPolarHBondContact O-CG2 3.5Å; F162-V166 PolarHBondContact O-N 3.25Å; F162-V166 VanDerWaalsContact O-N 3.15Å; F162-L182 HydrophobicContact CD2-CD1 4.27Å; F162-L182 HydrophobicContact CD2-CD2 4.02Å; F162-L182 HydrophobicContact CD2-CG 4.02Å; F162-L182 HydrophobicContact CE2-CD1 4.45Å; F162-L182 HydrophobicContact CE2-CD2 3.69Å; F162-L182 HydrophobicContact CE2-CG 3.72Å; F162-I188 HydrophobicContact CB-CB 4.11Å; F162-I188 HydrophobicContact CD1-CD1 3.99Å; F162-I188 HydrophobicContact CD2-CB 4.16Å; F162-I188 HydrophobicContact CD2-CD1 4.06Å; F162-I188 HydrophobicContact CD2-CG2 3.89Å; F162-I188 HydrophobicContact CE1-CD1 3.9Å; F162-I188 HydrophobicContact CE2-CD1 3.97Å; F162-I188 HydrophobicContact CE2-CG2 4.43Å; F162-I188 HydrophobicContact CG-CB 4.05Å; F162-I188 HydrophobicContact CG-CD1 4.06Å; F162-I188 HydrophobicContact CG-CG2 4.29Å; F162-I188 HydrophobicContact CZ-CD1 3.87Å; F162-V190 HydrophobicContact CD1-CG1 3.55Å; F162-V190 HydrophobicContact CE1-CG1 4.18Å; F162-V190 HydrophobicContact CG-CG1 4.39Å; F162-P195 HydrophobicContact CE1-CB 4.5Å; F162-V196 HydrophobicContact CE1-CB 4.35Å; F162-V196 HydrophobicContact CE1-CG2 3.8Å; F162-V196 HydrophobicContact CZ-CG1 4.44Å; F162-V196 HydrophobicContact CZ-CG2 4.28Å; F162-A199 HydrophobicContact CZ-CB 4.37Å
163P92.7Very high93.1Very high35 Ų3548.6 Ų48.623%0.22724%0.242CC..Hα-helixtrans-59-33.1179.1-24.735.5000114.3H161 V166 Q167 Q189 V190 P195H161-P163 VanDerWaalsContact C-CD 3.5Å; P163-V166 WeakPolarHBondContact O-CG2 3.48Å; P163-Q167 WeakPolarHBondContact O-CG 3.36Å; P163-Q167 PolarHBondContact O-NE2 2.87Å; P163-Q189 WeakPolarHBondContact CD-O 3.46Å; P163-V190 HydrophobicContact CG-CG1 4.22Å; P163-P195 HydrophobicContact CB-CB 4.39Å
164E94.9Very high93.3Very high82 Ų8247.9 Ų47.938%0.38324%0.235SC..Hα-helixtrans-79.1-44.8176-628417400111.2P132 H161 F162 V166 Q167 H168P132-E164 HydrophobicContact CB-CB 3.73Å; P132-E164 HydrophobicContact CG-CB 4.02Å; H161-E164 VanDerWaalsContact C-OE2 3.27Å; H161-E164 WeakPolarHBondContact CA-OE2 3.35Å; H161-E164 PolarHBondContact O-N 3.47Å; H161-E164 VanDerWaalsContact O-N 3.12Å; H161-E164 VanDerWaalsContact O-OE2 3.06Å; F162-E164 VanDerWaalsContact C-N 3.26Å; F162-E164 PolarHBondContact O-N 3.43Å; E164-V166 VanDerWaalsContact C-N 3.31Å; E164-V166 PolarHBondContact O-N 3.3Å; E164-Q167 WeakPolarHBondContact O-CB 3.45Å; E164-Q167 PolarHBondContact O-N 3.36Å; E164-H168 PolarHBondContact O-CD2 2.72Å
165V96.5Very high93.3Very high1 Ų150.7 Ų50.71%0.00626%0.255CS..Hα-helixtrans-56.5-43.4-178169.70000112.1P132 C135 L136 H161 F162 Q167 H168P132-V165 HydrophobicContact CB-CG2 4.01Å; C135-V165 VanDerWaalsContact SG-CG2 3.52Å; L136-V165 HydrophobicContact CD1-CG1 3.54Å; L136-V165 HydrophobicContact CD2-CG1 4.18Å; L136-V165 HydrophobicContact CG-CG1 3.76Å; H161-V165 HydrophobicContact CB-CG2 4.3Å; H161-V165 WeakPolarHBondContact O-CG2 3.26Å; H161-V165 PolarHBondContact O-N 2.77Å; F162-V165 PolarHBondContact O-N 2.71Å; V165-Q167 PolarHBondContact O-N 3.4Å; V165-Q167 VanDerWaalsContact O-N 3.15Å; V165-H168 PolarHBondContact O-N 3.41Å; V165-H168 VanDerWaalsContact O-N 3.15Å
166V95.9Very high93.4Very high12 Ų1252 Ų527%0.07326%0.261CS..THydrogen-bonded Turntrans-69.5-10.2-178.2-61.80000114.2F162 P163 E164 F171 A199F162-V166 HydrophobicContact CD1-CG1 4.31Å; F162-V166 HydrophobicContact CD2-CG1 4.04Å; F162-V166 HydrophobicContact CE1-CG1 3.87Å; F162-V166 HydrophobicContact CE2-CG1 3.56Å; F162-V166 HydrophobicContact CG-CG1 4.4Å; F162-V166 HydrophobicContact CZ-CG1 3.49Å; F162-V166 VanDerWaalsContact CZ-CG1 3.49Å; F162-V166 WeakPolarHBondContact O-CG1 3.19Å; F162-V166 WeakPolarHBondContact O-CG2 3.5Å; F162-V166 PolarHBondContact O-N 3.25Å; F162-V166 VanDerWaalsContact O-N 3.15Å; P163-V166 WeakPolarHBondContact O-CG2 3.48Å; E164-V166 VanDerWaalsContact C-N 3.31Å; E164-V166 PolarHBondContact O-N 3.3Å; V166-F171 HydrophobicContact CB-CD1 4.06Å; V166-F171 HydrophobicContact CB-CE1 4.27Å; V166-F171 HydrophobicContact CB-CG 4.24Å; V166-F171 HydrophobicContact CG1-CD1 4.31Å; V166-F171 HydrophobicContact CG1-CD2 4.04Å; V166-F171 HydrophobicContact CG1-CE1 4.31Å; V166-F171 HydrophobicContact CG1-CE2 4.05Å; V166-F171 HydrophobicContact CG1-CG 4.18Å; V166-F171 HydrophobicContact CG1-CZ 4.19Å; V166-A199 HydrophobicContact CB-CB 3.7Å; V166-A199 HydrophobicContact CG1-CB 3.66Å; V166-A199 HydrophobicContact CG2-CB 4.05Å
167Q95.5Very high93.6Very high152 Ų15250.6 Ų50.671%0.7126%0.262SS*.THydrogen-bonded Turntrans-85-13.7176.1-59.9176.529.900112.6P163 E164 V165P163-Q167 WeakPolarHBondContact O-CG 3.36Å; P163-Q167 PolarHBondContact O-NE2 2.87Å; E164-Q167 WeakPolarHBondContact O-CB 3.45Å; E164-Q167 PolarHBondContact O-N 3.36Å; V165-Q167 PolarHBondContact O-N 3.4Å; V165-Q167 VanDerWaalsContact O-N 3.15Å
168H95.7Very high93.7Very high69 Ų6951.1 Ų51.132%0.31927%0.265SS..SBendtrans-95.1161.4-175.2-68.1-72.3000113.3E164 V165 E170 F171E164-H168 PolarHBondContact O-CD2 2.72Å; V165-H168 PolarHBondContact O-N 3.41Å; V165-H168 VanDerWaalsContact O-N 3.15Å; H168-E170 VanDerWaalsContact C-N 3.34Å; H168-E170 PolarHBondContact O-N 3.06Å; H168-F171 PolarHBondContact O-N 3.47Å
169E93.5Very high93.8Very high147 Ų14751.1 Ų51.169%0.68727%0.265SS*.Hα-helixtrans-63.9-35.4-173.8-174.8173.2-171.700112.9F171 I172 L173E169-F171 VanDerWaalsContact C-N 3.25Å; E169-F171 PolarHBondContact O-N 3.34Å; E169-I172 WeakPolarHBondContact O-CA 3.07Å; E169-I172 WeakPolarHBondContact O-CB 3.32Å; E169-I172 PolarHBondContact O-N 2.74Å; E169-L173 HydrophobicContact CG-CD1 4.05Å; E169-L173 HydrophobicContact CG-CG 4.23Å; E169-L173 WeakPolarHBondContact O-CG 3.21Å; E169-L173 PolarHBondContact O-N 3.26Å; E169-L173 VanDerWaalsContact O-N 3.08Å
170E93.5Very high94.1Very high55 Ų5552.2 Ų52.226%0.25727%0.27SS..Hα-helixtrans-56.3-40.3179.5-68.2-164.4158.500112.5S133 N134 L136 G137 H168 I172 L173 L174S133-E170 WeakPolarHBondContact O-CG 3.27Å; N134-E170 WeakPolarHBondContact CA-OE1 3.42Å; N134-E170 WeakPolarHBondContact CA-OE2 3.48Å; L136-E170 HydrophobicContact CB-CB 4.19Å; L136-E170 HydrophobicContact CD1-CB 4.35Å; L136-E170 PolarHBondContact N-OE2 3.47Å; G137-E170 PolarHBondContact N-OE2 3.43Å; H168-E170 VanDerWaalsContact C-N 3.34Å; H168-E170 PolarHBondContact O-N 3.06Å; E170-I172 VanDerWaalsContact C-N 3.31Å; E170-I172 PolarHBondContact O-N 3.01Å; E170-L173 PolarHBondContact O-N 3.24Å; E170-L174 PolarHBondContact O-N 3.28Å
171F96.2Very high94.5Very high0 Ų054.1 Ų54.10%028%0.278CS..Hα-helixtrans-63-38.3176.2176.7-102.2000112.1L136 V166 H168 E169 L173 L174 V179 L182 A199 W203L136-F171 HydrophobicContact CD1-CB 3.84Å; L136-F171 HydrophobicContact CD1-CD2 4.33Å; V166-F171 HydrophobicContact CB-CD1 4.06Å; V166-F171 HydrophobicContact CB-CE1 4.27Å; V166-F171 HydrophobicContact CB-CG 4.24Å; V166-F171 HydrophobicContact CG1-CD1 4.31Å; V166-F171 HydrophobicContact CG1-CD2 4.04Å; V166-F171 HydrophobicContact CG1-CE1 4.31Å; V166-F171 HydrophobicContact CG1-CE2 4.05Å; V166-F171 HydrophobicContact CG1-CG 4.18Å; V166-F171 HydrophobicContact CG1-CZ 4.19Å; H168-F171 PolarHBondContact O-N 3.47Å; E169-F171 VanDerWaalsContact C-N 3.25Å; E169-F171 PolarHBondContact O-N 3.34Å; F171-L173 VanDerWaalsContact C-N 3.29Å; F171-L173 PolarHBondContact O-N 3.06Å; F171-L174 HydrophobicContact CD2-CD1 3.9Å; F171-L174 HydrophobicContact CE2-CD1 4.4Å; F171-L174 WeakPolarHBondContact O-CB 3.4Å; F171-L174 PolarHBondContact O-N 2.99Å; F171-V179 HydrophobicContact CE2-CG1 4.35Å; F171-V179 HydrophobicContact CE2-CG2 4.22Å; F171-V179 HydrophobicContact CZ-CG1 4.13Å; F171-V179 HydrophobicContact CZ-CG2 4.38Å; F171-L182 HydrophobicContact CD2-CD2 3.98Å; F171-L182 HydrophobicContact CE2-CD2 3.9Å; F171-A199 HydrophobicContact CE1-CB 3.81Å; F171-A199 WeakPolarHBondContact CE1-O 3.34Å; F171-A199 HydrophobicContact CZ-CB 3.8Å; F171-W203 HydrophobicContact CE1-CB 4.02Å
172I94.7Very high94.7Very high25 Ų2552 Ų5213%0.12827%0.269CS..Hα-helixtrans-69-30.6179.9-60.3-61.5000111.8E169 E170 H206 R211E169-I172 WeakPolarHBondContact O-CA 3.07Å; E169-I172 WeakPolarHBondContact O-CB 3.32Å; E169-I172 PolarHBondContact O-N 2.74Å; E170-I172 VanDerWaalsContact C-N 3.31Å; E170-I172 PolarHBondContact O-N 3.01Å; I172-H206 HydrophobicContact CG2-CB 3.62Å; I172-H206 VanDerWaalsContact CG2-CD2 3.43Å; I172-H206 WeakPolarHBondContact CG2-CD2 3.45Å; I172-H206 WeakPolarHBondContact CG2-ND1 3.42Å; I172-R211 PolarHBondContact O-NH1 2.82Å; I172-R211 PolarHBondContact O-NH2 2.88Å
173L93.9Very high94.7Very high114 Ų11452 Ų5260%0.59727%0.269SS*.Hα-helixtrans-79.1-16178.8-65.8176.1000113.7E169 E170 F171E169-L173 HydrophobicContact CG-CD1 4.05Å; E169-L173 HydrophobicContact CG-CG 4.23Å; E169-L173 WeakPolarHBondContact O-CG 3.21Å; E169-L173 PolarHBondContact O-N 3.26Å; E169-L173 VanDerWaalsContact O-N 3.08Å; E170-L173 PolarHBondContact O-N 3.24Å; F171-L173 VanDerWaalsContact C-N 3.29Å; F171-L173 PolarHBondContact O-N 3.06Å
174L94.8Very high94.8Very high8 Ų855.7 Ų55.74%0.04228%0.281CS..SBendtrans-57.1146.5177.5-68-176.2000112.9L136 E170 F171 E178 V179 W203L136-L174 HydrophobicContact CD1-CD1 3.95Å; L136-L174 HydrophobicContact CD1-CG 4.43Å; E170-L174 PolarHBondContact O-N 3.28Å; F171-L174 HydrophobicContact CD2-CD1 3.9Å; F171-L174 HydrophobicContact CE2-CD1 4.4Å; F171-L174 WeakPolarHBondContact O-CB 3.4Å; F171-L174 PolarHBondContact O-N 2.99Å; L174-E178 HydrophobicContact CB-CB 4.1Å; L174-E178 HydrophobicContact CD1-CB 4.23Å; L174-E178 HydrophobicContact CD2-CB 4.08Å; L174-E178 HydrophobicContact CG-CB 4.36Å; L174-V179 HydrophobicContact CB-CG2 3.73Å; L174-V179 HydrophobicContact CD1-CG2 4.28Å; L174-W203 PolarHBondContact O-NE1 3.45Å
175S94.2Very high94.6Very high60 Ų6053 Ų5342%0.4227%0.271SS..  trans-70.2163.3169.873.50000111.9G177 E178 V179S175-G177 VanDerWaalsContact C-N 3.26Å; S175-G177 PolarHBondContact O-N 3.39Å; S175-E178 WeakPolarHBondContact CA-OE2 3.36Å; S175-E178 WeakPolarHBondContact CB-OE2 3.47Å; S175-E178 PolarHBondContact N-OE2 3.01Å; S175-E178 PolarHBondContact O-N 2.81Å; S175-E178 WeakPolarHBondContact OG-CG 3.22Å; S175-E178 PolarHBondContact OG-N 2.55Å; S175-E178 PolarHBondContact OG-OE2 2.58Å; S175-V179 WeakPolarHBondContact O-CG2 3.34Å; S175-V179 PolarHBondContact O-N 3.07Å
176Q94.5Very high94.1Very high72 Ų7255.8 Ų55.834%0.33629%0.286SS..Hα-helixtrans-55.4-41.4177.4-176.7-168.5-18.100112.3E178 V179 E180 W203 S214 L218Q176-E178 VanDerWaalsContact C-N 3.34Å; Q176-E178 PolarHBondContact O-N 2.77Å; Q176-V179 PolarHBondContact O-N 3.32Å; Q176-E180 VanDerWaalsContact O-CB 3.27Å; Q176-E180 WeakPolarHBondContact O-CB 3.39Å; Q176-E180 PolarHBondContact O-N 2.78Å; Q176-W203 HydrophobicContact CB-CH2 4Å; Q176-W203 HydrophobicContact CB-CZ2 4.46Å; Q176-W203 HydrophobicContact CG-CH2 4.42Å; Q176-S214 PolarHBondContact OE1-OG 3.27Å; Q176-L218 HydrophobicContact CG-CD2 4.33Å
177G94.4Very high93.6Very high47 Ų4757.9 Ų57.949%0.48530%0.295SS..Hα-helixtrans-66.6-35.3-17800000113S175 K181S175-G177 VanDerWaalsContact C-N 3.26Å; S175-G177 PolarHBondContact O-N 3.39Å; G177-K181 WeakPolarHBondContact O-CB 3.5Å; G177-K181 PolarHBondContact O-N 3.04Å
178E93.9Very high93.4Very high56 Ų5650.7 Ų50.726%0.26226%0.261SS..Hα-helixtrans-74.1-42177.8-68.5161.1131.300111.6R139 L174 S175 Q176 E180 K181 L182R139-E178 IonicContact NH2-OE1 3.11Å; L174-E178 HydrophobicContact CB-CB 4.1Å; L174-E178 HydrophobicContact CD1-CB 4.23Å; L174-E178 HydrophobicContact CD2-CB 4.08Å; L174-E178 HydrophobicContact CG-CB 4.36Å; S175-E178 WeakPolarHBondContact CA-OE2 3.36Å; S175-E178 WeakPolarHBondContact CB-OE2 3.47Å; S175-E178 PolarHBondContact N-OE2 3.01Å; S175-E178 PolarHBondContact O-N 2.81Å; S175-E178 WeakPolarHBondContact OG-CG 3.22Å; S175-E178 PolarHBondContact OG-N 2.55Å; S175-E178 PolarHBondContact OG-OE2 2.58Å; Q176-E178 VanDerWaalsContact C-N 3.34Å; Q176-E178 PolarHBondContact O-N 2.77Å; E178-E180 VanDerWaalsContact C-N 3.31Å; E178-E180 PolarHBondContact O-N 2.64Å; E178-K181 PolarHBondContact O-N 3.01Å; E178-L182 PolarHBondContact O-N 2.91Å
179V96Very high92.8Very high0 Ų049.8 Ų49.80%026%0.257CS..Hα-helixtrans-60.7-45.1172.3176.10000110.1F171 L174 S175 Q176 K181 L182 I183 W203 L218F171-V179 HydrophobicContact CE2-CG1 4.35Å; F171-V179 HydrophobicContact CE2-CG2 4.22Å; F171-V179 HydrophobicContact CZ-CG1 4.13Å; F171-V179 HydrophobicContact CZ-CG2 4.38Å; L174-V179 HydrophobicContact CB-CG2 3.73Å; L174-V179 HydrophobicContact CD1-CG2 4.28Å; S175-V179 WeakPolarHBondContact O-CG2 3.34Å; S175-V179 PolarHBondContact O-N 3.07Å; Q176-V179 PolarHBondContact O-N 3.32Å; V179-K181 PolarHBondContact O-N 3.09Å; V179-L182 PolarHBondContact O-N 3.4Å; V179-I183 HydrophobicContact CG1-CD1 4.46Å; V179-I183 HydrophobicContact CG1-CG2 4.21Å; V179-I183 WeakPolarHBondContact O-CG1 3.26Å; V179-I183 WeakPolarHBondContact O-CG2 3.24Å; V179-I183 PolarHBondContact O-N 2.84Å; V179-W203 HydrophobicContact CG2-CD2 4.14Å; V179-W203 HydrophobicContact CG2-CG 4.16Å; V179-W203 HydrophobicContact CG2-CZ2 4.28Å; V179-L218 HydrophobicContact CG1-CD1 4.25Å; V179-L218 HydrophobicContact CG1-CD2 4.24Å
180E96.3Very high92.4Very high51 Ų5144.2 Ų44.224%0.23823%0.233CC..Hα-helixtrans-57.7-47.4175.9-179.1172.1167.600111.5Q176 E178 L182 K184 L218 Y221Q176-E180 VanDerWaalsContact O-CB 3.27Å; Q176-E180 WeakPolarHBondContact O-CB 3.39Å; Q176-E180 PolarHBondContact O-N 2.78Å; E178-E180 VanDerWaalsContact C-N 3.31Å; E178-E180 PolarHBondContact O-N 2.64Å; E180-L182 VanDerWaalsContact C-N 3.29Å; E180-L182 PolarHBondContact O-N 3.41Å; E180-K184 WeakPolarHBondContact O-CB 2.98Å; E180-K184 PolarHBondContact O-N 2.65Å; E180-L218 HydrophobicContact CB-CD2 3.94Å; E180-Y221 HydrophobicContact CG-CD2 4.15Å; E180-Y221 HydrophobicContact CG-CE2 3.52Å; E180-Y221 WeakPolarHBondContact OE1-CE2 3.31Å; E180-Y221 PolarHBondContact OE1-OH 2.77Å
181K93.6Very high91.5Very high99 Ų9948.2 Ų48.243%0.4326%0.256SS..Hα-helixtrans-56.2-44.6176.7-175-175.2171.7-165.40111.1E155 G177 E178 V179 C185E155-K181 VanDerWaalsContact OE1-CE 3.25Å; E155-K181 WeakPolarHBondContact OE1-CE 3.43Å; E155-K181 IonicContact OE1-NZ 2.76Å; E155-K181 PolarHBondContact OE1-NZ 2.8Å; E155-K181 IonicContact OE2-NZ 3.76Å; G177-K181 WeakPolarHBondContact O-CB 3.5Å; G177-K181 PolarHBondContact O-N 3.04Å; E178-K181 PolarHBondContact O-N 3.01Å; V179-K181 PolarHBondContact O-N 3.09Å; K181-C185 PolarHBondContact O-N 3.46Å
182L94Very high90.9Very high8 Ų850.4 Ų50.44%0.04227%0.272CS..Hα-helixtrans-70.6-50-177-170.665.3000112.6L136 F162 F171 E178 V179 E180 K184 C185 I188L136-L182 HydrophobicContact CD2-CD2 4.48Å; F162-L182 HydrophobicContact CD2-CD1 4.27Å; F162-L182 HydrophobicContact CD2-CD2 4.02Å; F162-L182 HydrophobicContact CD2-CG 4.02Å; F162-L182 HydrophobicContact CE2-CD1 4.45Å; F162-L182 HydrophobicContact CE2-CD2 3.69Å; F162-L182 HydrophobicContact CE2-CG 3.72Å; F171-L182 HydrophobicContact CD2-CD2 3.98Å; F171-L182 HydrophobicContact CE2-CD2 3.9Å; E178-L182 PolarHBondContact O-N 2.91Å; V179-L182 PolarHBondContact O-N 3.4Å; E180-L182 VanDerWaalsContact C-N 3.29Å; E180-L182 PolarHBondContact O-N 3.41Å; L182-K184 VanDerWaalsContact C-N 3.3Å; L182-K184 PolarHBondContact O-N 3.07Å; L182-C185 VanDerWaalsContact O-CB 3.25Å; L182-C185 WeakPolarHBondContact O-CB 3.37Å; L182-C185 PolarHBondContact O-N 2.65Å; L182-I188 HydrophobicContact CD1-CG2 4.37Å
183I94.6Very high90.7Very high0 Ų049.7 Ų49.70%027%0.268CS..Hα-helixtrans-70.9-26.8-177.568.5-176.7000113V179 C185 V196 V200 L218 Y221 R276V179-I183 HydrophobicContact CG1-CD1 4.46Å; V179-I183 HydrophobicContact CG1-CG2 4.21Å; V179-I183 WeakPolarHBondContact O-CG1 3.26Å; V179-I183 WeakPolarHBondContact O-CG2 3.24Å; V179-I183 PolarHBondContact O-N 2.84Å; I183-C185 VanDerWaalsContact C-N 3.28Å; I183-V196 HydrophobicContact CB-CG1 4.11Å; I183-V196 HydrophobicContact CG2-CG1 4.17Å; I183-V200 HydrophobicContact CD1-CG2 3.84Å; I183-V200 HydrophobicContact CG2-CG2 4Å; I183-L218 HydrophobicContact CD1-CB 3.7Å; I183-L218 HydrophobicContact CD1-CD2 3.75Å; I183-L218 HydrophobicContact CD1-CG 4.29Å; I183-L218 WeakPolarHBondContact CD1-O 3.48Å; I183-Y221 HydrophobicContact CD1-CD2 4.32Å; I183-Y221 HydrophobicContact CG1-CD2 4.41Å; I183-R276 PolarHBondContact O-NH1 3.01Å; I183-R276 PolarHBondContact O-NH2 2.96Å
184K93.7Very high90.6Very high112 Ų11247 Ų4749%0.48725%0.252SS..Hα-helixtrans-74.2-20.4175-178.4175.4175.6173.20112.4E180 L182 D186 Y221E180-K184 WeakPolarHBondContact O-CB 2.98Å; E180-K184 PolarHBondContact O-N 2.65Å; L182-K184 VanDerWaalsContact C-N 3.3Å; L182-K184 PolarHBondContact O-N 3.07Å; K184-D186 PolarHBondContact O-N 2.81Å; K184-Y221 HydrophobicContact CB-CD1 4.07Å; K184-Y221 HydrophobicContact CB-CE1 4.39Å; K184-Y221 HydrophobicContact CB-CG 4.19Å; K184-Y221 HydrophobicContact CD-CD1 4.17Å; K184-Y221 HydrophobicContact CD-CE1 3.7Å; K184-Y221 HydrophobicContact CG-CD1 3.88Å; K184-Y221 HydrophobicContact CG-CE1 3.93Å
185C90.8Very high90.6Very high26 Ų2648 Ų4818%0.17626%0.259CS..  trans-64.4123.7-174.9-174.80000111.8K181 L182 I183 E187 I188 R276K181-C185 PolarHBondContact O-N 3.46Å; L182-C185 VanDerWaalsContact O-CB 3.25Å; L182-C185 WeakPolarHBondContact O-CB 3.37Å; L182-C185 PolarHBondContact O-N 2.65Å; I183-C185 VanDerWaalsContact C-N 3.28Å; C185-E187 PolarHBondContact O-N 3.42Å; C185-E187 PolarHBondContact SG-N 3.07Å; C185-E187 VanDerWaalsContact SG-N 3.4Å; C185-I188 HydrophobicContact CB-CG2 4.06Å; C185-R276 PolarHBondContact O-NH1 2.61Å
186D87.1Confident90.6Very high58 Ų5845.1 Ų45.131%0.3124%0.239SC..THydrogen-bonded Turntrans-69-18176.2-75.6-7.1000112.2K184 R223 R274 R276 L277 G278K184-D186 PolarHBondContact O-N 2.81Å; D186-R223 IonicContact OD1-CZ 2.94Å; D186-R223 IonicContact OD1-NH1 3.93Å; D186-R223 IonicContact OD1-NH2 3.5Å; D186-R223 PolarHBondContact OD1-NH2 2.71Å; D186-R274 IonicContact OD2-NH1 3.19Å; D186-R276 CarbonylContact O-C 3.53Å; D186-L277 HydrophobicContact CB-CD1 4.43Å; D186-L277 HydrophobicContact CB-CG 4.47Å; D186-L277 PolarHBondContact O-N 2.93Å; D186-G278 PolarHBondContact O-N 2.98Å; D186-G278 VanDerWaalsContact O-N 3.12Å
187E85.8Confident90.7Very high57 Ų5741.9 Ų41.927%0.26622%0.224SC..THydrogen-bonded Turntrans-93.30.4-172.5-57.5-59.3137.500114.2C185 Q189 G278 K305C185-E187 PolarHBondContact O-N 3.42Å; C185-E187 PolarHBondContact SG-N 3.07Å; C185-E187 VanDerWaalsContact SG-N 3.4Å; E187-Q189 PolarHBondContact O-N 2.63Å; E187-G278 VanDerWaalsContact CA-CA 3.43Å; E187-G278 WeakPolarHBondContact O-CA 3.11Å; E187-K305 IonicContact OE2-NZ 2.75Å; E187-K305 PolarHBondContact OE2-NZ 2.78Å
188I90Very high90.8Very high1 Ų143.8 Ų43.81%0.00522%0.22CC..  trans-67.3135.8173.967.6174.8000110.7Q159 F162 L182 C185 V190 V196 R276Q159-I188 HydrophobicContact CB-CG2 4.46Å; Q159-I188 HydrophobicContact CG-CG2 4.2Å; F162-I188 HydrophobicContact CB-CB 4.11Å; F162-I188 HydrophobicContact CD1-CD1 3.99Å; F162-I188 HydrophobicContact CD2-CB 4.16Å; F162-I188 HydrophobicContact CD2-CD1 4.06Å; F162-I188 HydrophobicContact CD2-CG2 3.89Å; F162-I188 HydrophobicContact CE1-CD1 3.9Å; F162-I188 HydrophobicContact CE2-CD1 3.97Å; F162-I188 HydrophobicContact CE2-CG2 4.43Å; F162-I188 HydrophobicContact CG-CB 4.05Å; F162-I188 HydrophobicContact CG-CD1 4.06Å; F162-I188 HydrophobicContact CG-CG2 4.29Å; F162-I188 HydrophobicContact CZ-CD1 3.87Å; L182-I188 HydrophobicContact CD1-CG2 4.37Å; C185-I188 HydrophobicContact CB-CG2 4.06Å; I188-V190 HydrophobicContact CD1-CG1 4.4Å; I188-V196 HydrophobicContact CD1-CG2 3.7Å; I188-R276 VanDerWaalsContact CD1-CZ 3.45Å
189Q83.4Confident90.9Very high50 Ų5041.1 Ų41.123%0.23421%0.208CC..  trans-89.1109.7179.2-68.4-168.83.200109.8Q159 P163 E187 G278Q159-Q189 PolarHBondContact O-N 3.26Å; P163-Q189 WeakPolarHBondContact CD-O 3.46Å; E187-Q189 PolarHBondContact O-N 2.63Å; Q189-G278 VanDerWaalsContact CG-C 3.46Å; Q189-G278 VanDerWaalsContact CG-O 3.23Å; Q189-G278 WeakPolarHBondContact CG-O 3.33Å; Q189-G278 PolarHBondContact NE2-O 3Å
190V84.2Confident91Very high30 Ų3041.1 Ų41.118%0.18221%0.208CC..  trans-143.8138.4175.3-62.10000109F162 P163 I188 S192 V196F162-V190 HydrophobicContact CD1-CG1 3.55Å; F162-V190 HydrophobicContact CE1-CG1 4.18Å; F162-V190 HydrophobicContact CG-CG1 4.39Å; P163-V190 HydrophobicContact CG-CG1 4.22Å; I188-V190 HydrophobicContact CD1-CG1 4.4Å; V190-S192 VanDerWaalsContact C-N 3.29Å; V190-S192 VanDerWaalsContact CB-O 3.25Å; V190-S192 WeakPolarHBondContact CB-O 3.32Å; V190-S192 WeakPolarHBondContact CG2-O 3.4Å; V190-V196 HydrophobicContact CG1-CG2 4.26Å; V190-V196 HydrophobicContact CG2-CG2 4.37Å
191D75.7Confident91Very high138 Ų13838.9 Ų38.974%0.73820%0.198SC*.SBendtrans-75.9-21.4174.6-68.9-47.1000112R566D191-R566 IonicContact OD1-CZ 3.07Å; D191-R566 IonicContact OD1-NH1 3.92Å; D191-R566 PolarHBondContact OD1-NH1 2.95Å; D191-R566 IonicContact OD1-NH2 2.65Å; D191-R566 PolarHBondContact OD1-NH2 3.03Å; D191-R566 VanDerWaalsContact OD1-NH2 3.11Å
192S83.1Confident91Very high47 Ų4737.8 Ų37.833%0.32920%0.196SC..SBendtrans-147.2164.8175.374.60000110.6V190 E194 P195V190-S192 VanDerWaalsContact C-N 3.29Å; V190-S192 VanDerWaalsContact CB-O 3.25Å; V190-S192 WeakPolarHBondContact CB-O 3.32Å; V190-S192 WeakPolarHBondContact CG2-O 3.4Å; S192-E194 PolarHBondContact O-N 3.15Å; S192-E194 WeakPolarHBondContact OG-CB 3.34Å; S192-E194 WeakPolarHBondContact OG-CG 3.34Å; S192-E194 PolarHBondContact OG-N 2.59Å; S192-P195 VanDerWaalsContact O-CD 3.28Å; S192-P195 WeakPolarHBondContact O-CD 3.44Å
193E91Very high91.2Very high9 Ų937.7 Ų37.74%0.04220%0.195CC..SBendtrans-770.1174.1-73.3-75.1140.200113.7V196 F197 R223 L227 R276E193-V196 PolarHBondContact O-N 3.38Å; E193-F197 PolarHBondContact O-N 3.31Å; E193-R223 HydrophobicContact CG-CB 3.76Å; E193-R223 HydrophobicContact CG-CG 4.41Å; E193-R223 WeakPolarHBondContact OE1-CD 3.3Å; E193-R223 IonicContact OE1-NE 3.23Å; E193-R223 PolarHBondContact OE2-N 3.18Å; E193-L227 HydrophobicContact CB-CD2 3.6Å; E193-L227 HydrophobicContact CB-CG 3.94Å; E193-R276 WeakPolarHBondContact OE1-CD 3.45Å; E193-R276 WeakPolarHBondContact OE1-CG 3.23Å; E193-R276 IonicContact OE1-CZ 3.51Å; E193-R276 IonicContact OE1-NE 2.71Å; E193-R276 PolarHBondContact OE1-NE 2.74Å; E193-R276 IonicContact OE1-NH2 2.65Å; E193-R276 PolarHBondContact OE1-NH2 3.19Å; E193-R276 IonicContact OE2-CZ 3.98Å; E193-R276 IonicContact OE2-NE 3.67Å; E193-R276 IonicContact OE2-NH2 3.25Å; E193-R276 PolarHBondContact OE2-NH2 3.05Å
194E92.5Very high91.2Very high57 Ų5737.7 Ų37.727%0.26620%0.195SC..Hα-helixtrans-60.9-48-176.4-59.5178.4-176.800111.8S192 V196 F197 E198 L227 Y231S192-E194 PolarHBondContact O-N 3.15Å; S192-E194 WeakPolarHBondContact OG-CB 3.34Å; S192-E194 WeakPolarHBondContact OG-CG 3.34Å; S192-E194 PolarHBondContact OG-N 2.59Å; E194-V196 PolarHBondContact O-N 3.17Å; E194-F197 PolarHBondContact O-N 3.02Å; E194-E198 WeakPolarHBondContact O-CG 3.29Å; E194-E198 PolarHBondContact O-N 2.93Å; E194-L227 HydrophobicContact CB-CD2 4.42Å; E194-L227 HydrophobicContact CG-CD2 3.56Å; E194-Y231 HydrophobicContact CB-CD2 4.47Å; E194-Y231 HydrophobicContact CB-CE1 4.43Å; E194-Y231 HydrophobicContact CB-CE2 3.85Å; E194-Y231 VanDerWaalsContact CD-CE2 3.49Å; E194-Y231 HydrophobicContact CG-CD1 4.19Å; E194-Y231 HydrophobicContact CG-CD2 3.65Å; E194-Y231 HydrophobicContact CG-CE1 4.1Å; E194-Y231 HydrophobicContact CG-CE2 3.54Å; E194-Y231 HydrophobicContact CG-CG 3.98Å; E194-Y231 WeakPolarHBondContact OE1-CD2 3.43Å
195P93Very high91.3Very high29 Ų2936.9 Ų36.919%0.18819%0.192CC..Hα-helixtrans-60.8-31.7176.9-23.235.6000113.1F162 P163 S192 A199F162-P195 HydrophobicContact CE1-CB 4.5Å; P163-P195 HydrophobicContact CB-CB 4.39Å; S192-P195 VanDerWaalsContact O-CD 3.28Å; S192-P195 WeakPolarHBondContact O-CD 3.44Å; P195-A199 WeakPolarHBondContact O-CB 3.11Å; P195-A199 PolarHBondContact O-N 3.21Å
196V95.6Very high91.4Very high0 Ų041.8 Ų41.80%021%0.212CC..Hα-helixtrans-70.6-44.6178.7-168.30000110.5F162 I183 I188 V190 E193 E194 A199 V200 V222F162-V196 HydrophobicContact CE1-CB 4.35Å; F162-V196 HydrophobicContact CE1-CG2 3.8Å; F162-V196 HydrophobicContact CZ-CG1 4.44Å; F162-V196 HydrophobicContact CZ-CG2 4.28Å; I183-V196 HydrophobicContact CB-CG1 4.11Å; I183-V196 HydrophobicContact CG2-CG1 4.17Å; I188-V196 HydrophobicContact CD1-CG2 3.7Å; V190-V196 HydrophobicContact CG1-CG2 4.26Å; V190-V196 HydrophobicContact CG2-CG2 4.37Å; E193-V196 PolarHBondContact O-N 3.38Å; E194-V196 PolarHBondContact O-N 3.17Å; V196-A199 PolarHBondContact O-N 3.47Å; V196-V200 WeakPolarHBondContact O-CG2 3.27Å; V196-V200 PolarHBondContact O-N 2.82Å; V196-V222 HydrophobicContact CG1-CG2 4.15Å
197F96.4Very high91.7Very high4 Ų440.1 Ų40.12%0.01821%0.206CC..Hα-helixtrans-61.2-47.7175175.7-98000111.2E193 E194 A199 V200 I201 L219 V222 M224 Y231 V235 I236 I242E193-F197 PolarHBondContact O-N 3.31Å; E194-F197 PolarHBondContact O-N 3.02Å; F197-A199 VanDerWaalsContact C-N 3.35Å; F197-A199 PolarHBondContact O-N 2.87Å; F197-V200 PolarHBondContact O-N 2.99Å; F197-I201 HydrophobicContact CD1-CG1 4.24Å; F197-I201 HydrophobicContact CD2-CG1 4.41Å; F197-I201 HydrophobicContact CE1-CG1 3.71Å; F197-I201 HydrophobicContact CE2-CD1 4.21Å; F197-I201 HydrophobicContact CE2-CG1 3.9Å; F197-I201 HydrophobicContact CZ-CD1 3.98Å; F197-I201 HydrophobicContact CZ-CG1 3.51Å; F197-I201 WeakPolarHBondContact O-CG1 3.27Å; F197-I201 PolarHBondContact O-N 3.39Å; F197-L219 HydrophobicContact CD2-CD1 3.87Å; F197-L219 HydrophobicContact CE2-CD1 3.9Å; F197-V222 HydrophobicContact CB-CG1 4.07Å; F197-M224 HydrophobicContact CD2-CE 3.82Å; F197-M224 HydrophobicContact CE2-CE 3.85Å; F197-Y231 AromaticContact CD1-CE1 3.84Å; F197-Y231 HydrophobicContact CD1-CE1 3.84Å; F197-Y231 HydrophobicContact CE1-CE1 4.41Å; F197-Y231 HydrophobicContact CG-CE1 4.36Å; F197-V235 HydrophobicContact CE1-CG1 4.33Å; F197-I236 HydrophobicContact CD1-CG1 4.19Å; F197-I236 HydrophobicContact CD2-CD1 4.08Å; F197-I236 HydrophobicContact CD2-CG1 4.16Å; F197-I236 HydrophobicContact CE1-CG1 3.82Å; F197-I236 HydrophobicContact CE2-CB 4.32Å; F197-I236 HydrophobicContact CE2-CD1 4.11Å; F197-I236 HydrophobicContact CE2-CG1 3.79Å; F197-I236 HydrophobicContact CE2-CG2 3.84Å; F197-I236 HydrophobicContact CG-CD1 4.34Å; F197-I236 HydrophobicContact CG-CG1 4.35Å; F197-I236 HydrophobicContact CZ-CB 4.07Å; F197-I236 HydrophobicContact CZ-CD1 4.41Å; F197-I236 HydrophobicContact CZ-CG1 3.61Å; F197-I236 HydrophobicContact CZ-CG2 3.95Å; F197-I242 HydrophobicContact CE2-CD1 4.41Å
198E96.4Very high91.9Very high87 Ų8742.4 Ų42.441%0.40722%0.215SC..Hα-helixtrans-62.7-41.2-179.9-71.6173-167.700111.9E194 V200 I201 N202 Y231E194-E198 WeakPolarHBondContact O-CG 3.29Å; E194-E198 PolarHBondContact O-N 2.93Å; E198-V200 PolarHBondContact O-N 3.36Å; E198-I201 PolarHBondContact O-N 3.01Å; E198-N202 VanDerWaalsContact O-CB 3.24Å; E198-N202 WeakPolarHBondContact O-CB 3.25Å; E198-N202 PolarHBondContact O-N 2.77Å; E198-N202 PolarHBondContact O-ND2 3.36Å; E198-Y231 VanDerWaalsContact CG-OH 3.26Å; E198-Y231 WeakPolarHBondContact CG-OH 3.39Å; E198-Y231 PolarHBondContact OE1-OH 2.9Å
199A96.6Very high91.9Very high1 Ų151.9 Ų51.91%0.00826%0.257CS..Hα-helixtrans-56.3-49.7174.400000111.8F162 V166 F171 P195 V196 F197 I201 N202 W203F162-A199 HydrophobicContact CZ-CB 4.37Å; V166-A199 HydrophobicContact CB-CB 3.7Å; V166-A199 HydrophobicContact CG1-CB 3.66Å; V166-A199 HydrophobicContact CG2-CB 4.05Å; F171-A199 HydrophobicContact CE1-CB 3.81Å; F171-A199 WeakPolarHBondContact CE1-O 3.34Å; F171-A199 HydrophobicContact CZ-CB 3.8Å; P195-A199 WeakPolarHBondContact O-CB 3.11Å; P195-A199 PolarHBondContact O-N 3.21Å; V196-A199 PolarHBondContact O-N 3.47Å; F197-A199 VanDerWaalsContact C-N 3.35Å; F197-A199 PolarHBondContact O-N 2.87Å; A199-I201 PolarHBondContact O-N 3.48Å; A199-N202 PolarHBondContact O-N 3.05Å; A199-W203 WeakPolarHBondContact O-CB 3.34Å; A199-W203 PolarHBondContact O-N 3.19Å
200V96.9Very high92.3Very high0 Ų057.2 Ų57.20%028%0.281CS..Hα-helixtrans-61.7-46.1178.7174.30000111.1I183 V196 F197 E198 W203 V204 L215 L218 V222I183-V200 HydrophobicContact CD1-CG2 3.84Å; I183-V200 HydrophobicContact CG2-CG2 4Å; V196-V200 WeakPolarHBondContact O-CG2 3.27Å; V196-V200 PolarHBondContact O-N 2.82Å; F197-V200 PolarHBondContact O-N 2.99Å; E198-V200 PolarHBondContact O-N 3.36Å; V200-W203 PolarHBondContact O-N 3.12Å; V200-V204 WeakPolarHBondContact O-CG2 3.46Å; V200-V204 PolarHBondContact O-N 2.9Å; V200-V204 VanDerWaalsContact O-N 3.08Å; V200-L215 HydrophobicContact CG1-CD1 3.69Å; V200-L218 HydrophobicContact CG1-CB 3.84Å; V200-L218 HydrophobicContact CG1-CD1 4.34Å; V200-L218 HydrophobicContact CG2-CB 4.44Å; V200-V222 HydrophobicContact CG2-CG2 4.18Å
201I96Very high92.8Very high4 Ų457.5 Ų57.52%0.02128%0.279CS..Hα-helixtrans-65-42.5179.8-69.2-59.4000111.6F197 E198 A199 V204 K205 L215 E239F197-I201 HydrophobicContact CD1-CG1 4.24Å; F197-I201 HydrophobicContact CD2-CG1 4.41Å; F197-I201 HydrophobicContact CE1-CG1 3.71Å; F197-I201 HydrophobicContact CE2-CD1 4.21Å; F197-I201 HydrophobicContact CE2-CG1 3.9Å; F197-I201 HydrophobicContact CZ-CD1 3.98Å; F197-I201 HydrophobicContact CZ-CG1 3.51Å; F197-I201 WeakPolarHBondContact O-CG1 3.27Å; F197-I201 PolarHBondContact O-N 3.39Å; E198-I201 PolarHBondContact O-N 3.01Å; A199-I201 PolarHBondContact O-N 3.48Å; I201-V204 PolarHBondContact O-N 2.79Å; I201-K205 HydrophobicContact CG2-CD 3.78Å; I201-K205 HydrophobicContact CG2-CG 4.32Å; I201-K205 VanDerWaalsContact CG2-NZ 3.3Å; I201-K205 WeakPolarHBondContact O-CB 3.25Å; I201-K205 VanDerWaalsContact O-CG 3.29Å; I201-K205 WeakPolarHBondContact O-CG 3.02Å; I201-K205 PolarHBondContact O-N 3.31Å; I201-L215 HydrophobicContact CD1-CD1 4.06Å; I201-E239 HydrophobicContact CD1-CG 4.01Å; I201-E239 HydrophobicContact CG2-CG 4.37Å
202N95.3Very high93.6Very high76 Ų7654 Ų5441%0.40626%0.259SS..Hα-helixtrans-66.5-39.5179-70.7-22.5000111.5E198 A199 V204 K205 H206E198-N202 VanDerWaalsContact O-CB 3.24Å; E198-N202 WeakPolarHBondContact O-CB 3.25Å; E198-N202 PolarHBondContact O-N 2.77Å; E198-N202 PolarHBondContact O-ND2 3.36Å; A199-N202 PolarHBondContact O-N 3.05Å; N202-V204 PolarHBondContact O-N 3.46Å; N202-K205 PolarHBondContact O-N 3.08Å; N202-H206 PolarHBondContact O-N 2.96Å
203W96.8Very high94Very high6 Ų660 Ų602%0.02328%0.281CS..Hα-helixtrans-62-41.6174.7-176.488.4000112.2F171 L174 Q176 V179 A199 V200 R211 L218F171-W203 HydrophobicContact CE1-CB 4.02Å; L174-W203 PolarHBondContact O-NE1 3.45Å; Q176-W203 HydrophobicContact CB-CH2 4Å; Q176-W203 HydrophobicContact CB-CZ2 4.46Å; Q176-W203 HydrophobicContact CG-CH2 4.42Å; V179-W203 HydrophobicContact CG2-CD2 4.14Å; V179-W203 HydrophobicContact CG2-CG 4.16Å; V179-W203 HydrophobicContact CG2-CZ2 4.28Å; A199-W203 WeakPolarHBondContact O-CB 3.34Å; A199-W203 PolarHBondContact O-N 3.19Å; V200-W203 PolarHBondContact O-N 3.12Å; W203-R211 VanDerWaalsContact CE2-CZ 3.42Å; W203-R211 HydrophobicContact CE3-CB 4.21Å; W203-R211 HydrophobicContact CE3-CG 4.22Å; W203-R211 HydrophobicContact CH2-CB 4.16Å; W203-R211 HydrophobicContact CH2-CG 3.63Å; W203-R211 HydrophobicContact CZ2-CG 4.12Å; W203-R211 HydrophobicContact CZ3-CB 3.71Å; W203-R211 HydrophobicContact CZ3-CG 3.69Å; W203-R211 WeakPolarHBondContact O-CD 3.18Å; W203-R211 PolarHBondContact O-NH1 2.93Å; W203-L218 HydrophobicContact CE3-CD1 3.72Å; W203-L218 HydrophobicContact CH2-CD1 4.38Å; W203-L218 HydrophobicContact CZ3-CD1 3.53Å
204V95.3Very high94.1Very high0 Ų060.3 Ų60.30%028%0.284CS..Hα-helixtrans-70-40.3175175.20000111.8V200 I201 N202 H206 A207 K208 R211 L215 F241V200-V204 WeakPolarHBondContact O-CG2 3.46Å; V200-V204 PolarHBondContact O-N 2.9Å; V200-V204 VanDerWaalsContact O-N 3.08Å; I201-V204 PolarHBondContact O-N 2.79Å; N202-V204 PolarHBondContact O-N 3.46Å; V204-H206 PolarHBondContact O-N 3.34Å; V204-A207 CarbonylContact O-C 3.55Å; V204-A207 PolarHBondContact O-N 2.78Å; V204-K208 WeakPolarHBondContact O-CA 3.5Å; V204-K208 PolarHBondContact O-N 2.97Å; V204-K208 VanDerWaalsContact O-N 3.16Å; V204-R211 HydrophobicContact CB-CB 4.46Å; V204-R211 HydrophobicContact CG1-CB 4.38Å; V204-R211 HydrophobicContact CG2-CB 4.3Å; V204-L215 HydrophobicContact CG2-CB 4.22Å; V204-L215 HydrophobicContact CG2-CD1 4.1Å; V204-F241 HydrophobicContact CG1-CD1 4.27Å; V204-F241 HydrophobicContact CG1-CE1 4.2Å
205K94.5Very high94.2Very high95 Ų9557.7 Ų57.741%0.41327%0.272SS..Hα-helixtrans-57.1-35.5178.5-83.5172.5-179.7166.10112.4I201 N202 E239 F241I201-K205 HydrophobicContact CG2-CD 3.78Å; I201-K205 HydrophobicContact CG2-CG 4.32Å; I201-K205 VanDerWaalsContact CG2-NZ 3.3Å; I201-K205 WeakPolarHBondContact O-CB 3.25Å; I201-K205 VanDerWaalsContact O-CG 3.29Å; I201-K205 WeakPolarHBondContact O-CG 3.02Å; I201-K205 PolarHBondContact O-N 3.31Å; N202-K205 PolarHBondContact O-N 3.08Å; K205-E239 VanDerWaalsContact CE-OE1 3.25Å; K205-E239 WeakPolarHBondContact CE-OE1 3.46Å; K205-E239 IonicContact NZ-OE1 2.73Å; K205-E239 PolarHBondContact NZ-OE1 3.16Å; K205-E239 IonicContact NZ-OE2 3.22Å; K205-E239 PolarHBondContact NZ-OE2 3.2Å; K205-F241 HydrophobicContact CD-CE2 4.35Å; K205-F241 HydrophobicContact CG-CD2 4.49Å; K205-F241 HydrophobicContact CG-CE2 3.5Å; K205-F241 VanDerWaalsContact CG-CE2 3.5Å; K205-F241 HydrophobicContact CG-CZ 4.03Å
206H93.5Very high94.3Very high128 Ų12857 Ų5759%0.59327%0.267SS*.Hα-helixtrans-65.1-41.1-178.7-168.785.9000113.6I172 N202 V204I172-H206 HydrophobicContact CG2-CB 3.62Å; I172-H206 VanDerWaalsContact CG2-CD2 3.43Å; I172-H206 WeakPolarHBondContact CG2-CD2 3.45Å; I172-H206 WeakPolarHBondContact CG2-ND1 3.42Å; N202-H206 PolarHBondContact O-N 2.96Å; V204-H206 PolarHBondContact O-N 3.34Å
207A92.9Very high94.3Very high23 Ų2360.5 Ų60.519%0.1929%0.286CS..THydrogen-bonded Turntrans-130.961.9179.200000111.8V204 K209 E210 R211V204-A207 CarbonylContact O-C 3.55Å; V204-A207 PolarHBondContact O-N 2.78Å; A207-K209 VanDerWaalsContact C-N 3.34Å; A207-K209 PolarHBondContact O-N 3.45Å; A207-K209 VanDerWaalsContact O-N 3.17Å; A207-E210 PolarHBondContact O-N 2.86Å; A207-E210 VanDerWaalsContact O-N 3.12Å; A207-R211 HydrophobicContact CB-CG 4.08Å; A207-R211 WeakPolarHBondContact O-CB 3.33Å; A207-R211 PolarHBondContact O-N 3.32Å
208K90.9Very high94.2Very high106 Ų10660.3 Ų60.346%0.46129%0.285SS..Hα-helixtrans-44.6-51.7-174.1172.2166.6-176.5174.30114.1V204 E210 E212 F241V204-K208 WeakPolarHBondContact O-CA 3.5Å; V204-K208 PolarHBondContact O-N 2.97Å; V204-K208 VanDerWaalsContact O-N 3.16Å; K208-E210 VanDerWaalsContact C-N 3.26Å; K208-E210 PolarHBondContact O-N 3.08Å; K208-E212 WeakPolarHBondContact CE-OE2 3Å; K208-E212 WeakPolarHBondContact O-CB 3.22Å; K208-E212 PolarHBondContact O-N 2.74Å; K208-F241 HydrophobicContact CD-CE1 3.74Å; K208-F241 HydrophobicContact CD-CZ 4.1Å; K208-F241 HydrophobicContact CG-CE1 3.88Å; K208-F241 HydrophobicContact CG-CZ 4.41Å
209K90.6Very high94.2Very high200 Ų20056.1 Ų56.187%0.8727%0.266SS*.Hα-helixtrans-62.6-32.2-172.9-69.4-176.6-180177.60113.7A207A207-K209 VanDerWaalsContact C-N 3.34Å; A207-K209 PolarHBondContact O-N 3.45Å; A207-K209 VanDerWaalsContact O-N 3.17Å
210E92.1Very high94.1Very high161 Ų16159.4 Ų59.475%0.75228%0.281SS*.Hα-helixtrans-96-32.5-174.6-66169.2-158.600111.5A207 K208A207-E210 PolarHBondContact O-N 2.86Å; A207-E210 VanDerWaalsContact O-N 3.12Å; K208-E210 VanDerWaalsContact C-N 3.26Å; K208-E210 PolarHBondContact O-N 3.08Å
211R94Very high94.1Very high36 Ų3661.9 Ų61.914%0.13629%0.291CS..Hα-helixtrans-99.2-16.5-170.9-62.5178.9177.7179.6-6.6114.3I172 W203 V204 A207 E213 S214 L215I172-R211 PolarHBondContact O-NH1 2.82Å; I172-R211 PolarHBondContact O-NH2 2.88Å; W203-R211 VanDerWaalsContact CE2-CZ 3.42Å; W203-R211 HydrophobicContact CE3-CB 4.21Å; W203-R211 HydrophobicContact CE3-CG 4.22Å; W203-R211 HydrophobicContact CH2-CB 4.16Å; W203-R211 HydrophobicContact CH2-CG 3.63Å; W203-R211 HydrophobicContact CZ2-CG 4.12Å; W203-R211 HydrophobicContact CZ3-CB 3.71Å; W203-R211 HydrophobicContact CZ3-CG 3.69Å; W203-R211 WeakPolarHBondContact O-CD 3.18Å; W203-R211 PolarHBondContact O-NH1 2.93Å; V204-R211 HydrophobicContact CB-CB 4.46Å; V204-R211 HydrophobicContact CG1-CB 4.38Å; V204-R211 HydrophobicContact CG2-CB 4.3Å; A207-R211 HydrophobicContact CB-CG 4.08Å; A207-R211 WeakPolarHBondContact O-CB 3.33Å; A207-R211 PolarHBondContact O-N 3.32Å; R211-E213 VanDerWaalsContact C-N 3.29Å; R211-E213 PolarHBondContact O-N 2.77Å; R211-S214 WeakPolarHBondContact O-CB 3.43Å; R211-S214 PolarHBondContact O-N 3.28Å; R211-L215 PolarHBondContact O-N 2.89Å
212E92.3Very high94.1Very high66 Ų6661.7 Ų61.731%0.30829%0.29SS..G310 helixtrans-59-37.3-177-180166-167.600112.8K208 S214 L215 F241K208-E212 WeakPolarHBondContact CE-OE2 3Å; K208-E212 WeakPolarHBondContact O-CB 3.22Å; K208-E212 PolarHBondContact O-N 2.74Å; E212-S214 VanDerWaalsContact C-N 3.25Å; E212-S214 PolarHBondContact O-N 2.94Å; E212-L215 WeakPolarHBondContact O-CB 3.49Å; E212-L215 PolarHBondContact O-N 3.25Å; E212-F241 HydrophobicContact CG-CD1 4.35Å
213E91.6Very high93.9Very high173 Ų17358.5 Ų58.581%0.80827%0.272SS*.G310 helixtrans-68.4-23.9176.9-63.9-172.8169.900113.2R211R211-E213 VanDerWaalsContact C-N 3.29Å; R211-E213 PolarHBondContact O-N 2.77Å
214S93.3Very high93.8Very high15 Ų1558.3 Ų58.311%0.10527%0.271CS..G310 helixtrans-83.8-16.5-179.4-59.50000113Q176 R211 E212 N217 L218Q176-S214 PolarHBondContact OE1-OG 3.27Å; R211-S214 WeakPolarHBondContact O-CB 3.43Å; R211-S214 PolarHBondContact O-N 3.28Å; E212-S214 VanDerWaalsContact C-N 3.25Å; E212-S214 PolarHBondContact O-N 2.94Å; S214-N217 WeakPolarHBondContact O-CB 3.49Å; S214-N217 PolarHBondContact O-N 2.84Å; S214-N217 VanDerWaalsContact O-N 3.11Å; S214-L218 PolarHBondContact O-N 3.3Å
215L95Very high93.5Very high2 Ų258.5 Ų58.51%0.0127%0.273CS..Hα-helixtrans-53.7-49.2-173.7175.363.7000113.4V200 I201 V204 R211 E212 N217 L218 L219 F241 I242V200-L215 HydrophobicContact CG1-CD1 3.69Å; I201-L215 HydrophobicContact CD1-CD1 4.06Å; V204-L215 HydrophobicContact CG2-CB 4.22Å; V204-L215 HydrophobicContact CG2-CD1 4.1Å; R211-L215 PolarHBondContact O-N 2.89Å; E212-L215 WeakPolarHBondContact O-CB 3.49Å; E212-L215 PolarHBondContact O-N 3.25Å; L215-N217 PolarHBondContact O-N 3.15Å; L215-L218 PolarHBondContact O-N 3.15Å; L215-L218 VanDerWaalsContact O-N 3.16Å; L215-L219 HydrophobicContact CD1-CD1 4.44Å; L215-L219 VanDerWaalsContact O-CB 3.22Å; L215-L219 WeakPolarHBondContact O-CB 3.48Å; L215-L219 PolarHBondContact O-N 3.15Å; L215-F241 HydrophobicContact CD2-CB 3.46Å; L215-F241 VanDerWaalsContact CD2-CB 3.46Å; L215-F241 HydrophobicContact CD2-CG 4.4Å; L215-I242 HydrophobicContact CD2-CD1 4.46Å
216P94.5Very high93.1Very high13 Ų1356.8 Ų56.88%0.08427%0.268CS..Hα-helixtrans-59.1-36.5-179.5-21.332.3000113.1L219 Q220 Q247P216-L219 PolarHBondContact O-N 3.27Å; P216-Q220 PolarHBondContact O-N 3.27Å; P216-Q247 HydrophobicContact CB-CB 3.79Å; P216-Q247 HydrophobicContact CG-CB 4.13Å
217N94.7Very high92.9Very high74 Ų7450.9 Ų50.940%0.39624%0.241SC..Hα-helixtrans-71.2-30.9-179.3-67.3-32.7000112.6S214 L215 Q220 Y221S214-N217 WeakPolarHBondContact O-CB 3.49Å; S214-N217 PolarHBondContact O-N 2.84Å; S214-N217 VanDerWaalsContact O-N 3.11Å; L215-N217 PolarHBondContact O-N 3.15Å; N217-Q220 VanDerWaalsContact O-CG 3.3Å; N217-Q220 WeakPolarHBondContact O-CG 3.41Å; N217-Q220 PolarHBondContact O-NE2 3.24Å; N217-Y221 WeakPolarHBondContact O-CD2 3.45Å; N217-Y221 VanDerWaalsContact O-CE2 3.26Å; N217-Y221 WeakPolarHBondContact O-CE2 3.09Å
218L96Very high92.5Very high0 Ų053 Ų530%025%0.251CS..Hα-helixtrans-79.5-42.1174.5-64.1176.1000110.7Q176 V179 E180 I183 V200 W203 S214 L215 Q220 Y221Q176-L218 HydrophobicContact CG-CD2 4.33Å; V179-L218 HydrophobicContact CG1-CD1 4.25Å; V179-L218 HydrophobicContact CG1-CD2 4.24Å; E180-L218 HydrophobicContact CB-CD2 3.94Å; I183-L218 HydrophobicContact CD1-CB 3.7Å; I183-L218 HydrophobicContact CD1-CD2 3.75Å; I183-L218 HydrophobicContact CD1-CG 4.29Å; I183-L218 WeakPolarHBondContact CD1-O 3.48Å; V200-L218 HydrophobicContact CG1-CB 3.84Å; V200-L218 HydrophobicContact CG1-CD1 4.34Å; V200-L218 HydrophobicContact CG2-CB 4.44Å; W203-L218 HydrophobicContact CE3-CD1 3.72Å; W203-L218 HydrophobicContact CH2-CD1 4.38Å; W203-L218 HydrophobicContact CZ3-CD1 3.53Å; S214-L218 PolarHBondContact O-N 3.3Å; L215-L218 PolarHBondContact O-N 3.15Å; L215-L218 VanDerWaalsContact O-N 3.16Å; L218-Q220 PolarHBondContact O-N 3.37Å; L218-Y221 PolarHBondContact O-N 3.03Å; L218-Y221 VanDerWaalsContact O-N 3.11Å
219L95.5Very high92.3Very high0 Ų051.4 Ų51.40%025%0.252CS..Hα-helixtrans-64.1-27.1-174.6-158.467.8000113.2F197 L215 P216 Y221 V222 M224 I242 C248 L251F197-L219 HydrophobicContact CD2-CD1 3.87Å; F197-L219 HydrophobicContact CE2-CD1 3.9Å; L215-L219 HydrophobicContact CD1-CD1 4.44Å; L215-L219 VanDerWaalsContact O-CB 3.22Å; L215-L219 WeakPolarHBondContact O-CB 3.48Å; L215-L219 PolarHBondContact O-N 3.15Å; P216-L219 PolarHBondContact O-N 3.27Å; L219-Y221 PolarHBondContact O-N 2.93Å; L219-Y221 VanDerWaalsContact O-N 3.16Å; L219-V222 HydrophobicContact CD1-CG2 4.25Å; L219-V222 WeakPolarHBondContact O-CB 3.16Å; L219-V222 PolarHBondContact O-N 3.07Å; L219-M224 HydrophobicContact CD1-CE 3.32Å; L219-M224 HydrophobicContact CD2-CE 3.66Å; L219-M224 HydrophobicContact CG-CE 3.36Å; L219-I242 HydrophobicContact CD2-CD1 3.44Å; L219-I242 VanDerWaalsContact CD2-CD1 3.44Å; L219-C248 HydrophobicContact CD2-CB 3.91Å; L219-L251 HydrophobicContact CB-CD1 3.92Å; L219-L251 HydrophobicContact CD2-CD1 4.1Å; L219-L251 HydrophobicContact CG-CD1 4.13Å
220Q95Very high92.1Very high70 Ų7048.5 Ų48.533%0.32724%0.235SC..THydrogen-bonded Turntrans-62.8-18.7176.679.6-172.5-5800114P216 N217 L218 L251 R272P216-Q220 PolarHBondContact O-N 3.27Å; N217-Q220 VanDerWaalsContact O-CG 3.3Å; N217-Q220 WeakPolarHBondContact O-CG 3.41Å; N217-Q220 PolarHBondContact O-NE2 3.24Å; L218-Q220 PolarHBondContact O-N 3.37Å; Q220-L251 HydrophobicContact CB-CD1 4.32Å; Q220-L251 HydrophobicContact CB-CD2 4.37Å; Q220-R272 WeakPolarHBondContact O-CD 3.25Å; Q220-R272 WeakPolarHBondContact O-CG 3.21Å; Q220-R272 PolarHBondContact O-NH1 2.95Å
221Y96Very high92Very high52 Ų5241.7 Ų41.720%0.20420%0.203CC..THydrogen-bonded Turntrans-93.1-11.5177.5-60.4-63.3000113E180 I183 K184 N217 L218 L219E180-Y221 HydrophobicContact CG-CD2 4.15Å; E180-Y221 HydrophobicContact CG-CE2 3.52Å; E180-Y221 WeakPolarHBondContact OE1-CE2 3.31Å; E180-Y221 PolarHBondContact OE1-OH 2.77Å; I183-Y221 HydrophobicContact CD1-CD2 4.32Å; I183-Y221 HydrophobicContact CG1-CD2 4.41Å; K184-Y221 HydrophobicContact CB-CD1 4.07Å; K184-Y221 HydrophobicContact CB-CE1 4.39Å; K184-Y221 HydrophobicContact CB-CG 4.19Å; K184-Y221 HydrophobicContact CD-CD1 4.17Å; K184-Y221 HydrophobicContact CD-CE1 3.7Å; K184-Y221 HydrophobicContact CG-CD1 3.88Å; K184-Y221 HydrophobicContact CG-CE1 3.93Å; N217-Y221 WeakPolarHBondContact O-CD2 3.45Å; N217-Y221 VanDerWaalsContact O-CE2 3.26Å; N217-Y221 WeakPolarHBondContact O-CE2 3.09Å; L218-Y221 PolarHBondContact O-N 3.03Å; L218-Y221 VanDerWaalsContact O-N 3.11Å; L219-Y221 PolarHBondContact O-N 2.93Å; L219-Y221 VanDerWaalsContact O-N 3.16Å
222V95.6Very high92Very high0 Ų040 Ų400%020%0.197CC..SBendtrans-77.3129.8170.8-177.70000108.4V196 F197 V200 L219 M224V196-V222 HydrophobicContact CG1-CG2 4.15Å; F197-V222 HydrophobicContact CB-CG1 4.07Å; V200-V222 HydrophobicContact CG2-CG2 4.18Å; L219-V222 HydrophobicContact CD1-CG2 4.25Å; L219-V222 WeakPolarHBondContact O-CB 3.16Å; L219-V222 PolarHBondContact O-N 3.07Å; V222-M224 HydrophobicContact CB-CG 4.45Å; V222-M224 HydrophobicContact CG1-CG 4.06Å; V222-M224 PolarHBondContact O-N 3.02Å
223R92.4Very high92Very high8 Ų840.2 Ų40.23%0.0320%0.202CC..  trans-88.458.8-172.1-45.3179.7-170.6-162.4-1.9110.4D186 E193 P225 L226 R272 R274 A275 R276D186-R223 IonicContact OD1-CZ 2.94Å; D186-R223 IonicContact OD1-NH1 3.93Å; D186-R223 IonicContact OD1-NH2 3.5Å; D186-R223 PolarHBondContact OD1-NH2 2.71Å; E193-R223 HydrophobicContact CG-CB 3.76Å; E193-R223 HydrophobicContact CG-CG 4.41Å; E193-R223 WeakPolarHBondContact OE1-CD 3.3Å; E193-R223 IonicContact OE1-NE 3.23Å; E193-R223 PolarHBondContact OE2-N 3.18Å; R223-P225 VanDerWaalsContact C-N 3.31Å; R223-P225 VanDerWaalsContact O-N 3.16Å; R223-L226 HydrophobicContact CB-CD1 3.84Å; R223-L226 HydrophobicContact CB-CG 4.17Å; R223-L226 VanDerWaalsContact O-CB 3.32Å; R223-L226 WeakPolarHBondContact O-CB 3.46Å; R223-L226 PolarHBondContact O-N 2.88Å; R223-R272 WeakPolarHBondContact CB-O 3.48Å; R223-R274 WeakPolarHBondContact CD-O 3.48Å; R223-R274 PolarHBondContact NH1-O 3Å; R223-A275 PolarHBondContact NH1-O 2.9Å; R223-R276 VanDerWaalsContact NH1-CA 3.31Å; R223-R276 VanDerWaalsContact NH1-N 3.1Å
224M93.5Very high92Very high2 Ų237.2 Ų37.21%0.0119%0.192CC..G310 helixtrans-50.8-37.1-174.3-67.4-176.6169.500115.5F197 L219 V222 L226 L227 I236 L251 V252 A255F197-M224 HydrophobicContact CD2-CE 3.82Å; F197-M224 HydrophobicContact CE2-CE 3.85Å; L219-M224 HydrophobicContact CD1-CE 3.32Å; L219-M224 HydrophobicContact CD2-CE 3.66Å; L219-M224 HydrophobicContact CG-CE 3.36Å; V222-M224 HydrophobicContact CB-CG 4.45Å; V222-M224 HydrophobicContact CG1-CG 4.06Å; V222-M224 PolarHBondContact O-N 3.02Å; M224-L226 PolarHBondContact O-N 2.92Å; M224-L227 HydrophobicContact CB-CD1 4.39Å; M224-L227 HydrophobicContact CG-CD1 4.3Å; M224-L227 VanDerWaalsContact O-CB 3.31Å; M224-L227 WeakPolarHBondContact O-CB 3.23Å; M224-L227 PolarHBondContact O-N 2.87Å; M224-I236 HydrophobicContact CE-CD1 4.26Å; M224-I236 HydrophobicContact CE-CG2 4.14Å; M224-I236 HydrophobicContact CG-CD1 4.43Å; M224-L251 HydrophobicContact SD-CB 4.47Å; M224-V252 HydrophobicContact CE-CG2 4.32Å; M224-V252 HydrophobicContact SD-CG2 3.93Å; M224-A255 HydrophobicContact CB-CB 3.72Å
225P90.6Very high92Very high4 Ų439.3 Ų39.33%0.02620%0.204CC..G310 helixtrans-58-16.9173.9-26.835.8000115.4R223 A255 F258 H259 R272 T273R223-P225 VanDerWaalsContact C-N 3.31Å; R223-P225 VanDerWaalsContact O-N 3.16Å; P225-A255 HydrophobicContact CG-CB 4.25Å; P225-F258 HydrophobicContact CB-CB 4.27Å; P225-F258 HydrophobicContact CB-CD1 3.62Å; P225-F258 HydrophobicContact CB-CD2 4.28Å; P225-F258 HydrophobicContact CB-CE1 3.82Å; P225-F258 HydrophobicContact CB-CE2 4.46Å; P225-F258 HydrophobicContact CB-CG 3.82Å; P225-F258 HydrophobicContact CB-CZ 4.2Å; P225-F258 VanDerWaalsContact O-CE1 3.32Å; P225-F258 WeakPolarHBondContact O-CE1 3.3Å; P225-H259 PolarHBondContact O-CE1 2.92Å; P225-H259 PolarHBondContact O-NE2 2.74Å; P225-R272 WeakPolarHBondContact CD-O 3.21Å; P225-R272 HydrophobicContact CG-CB 4.25Å; P225-T273 HydrophobicContact CB-CG2 3.96Å; P225-T273 HydrophobicContact CG-CG2 4.08Å
226L86.3Confident92.1Very high59 Ų5939.2 Ų39.231%0.30920%0.203SC..G310 helixtrans-91.6-8.9176.4-55.6-177.6000113.2R223 M224 R274 A275 I543R223-L226 HydrophobicContact CB-CD1 3.84Å; R223-L226 HydrophobicContact CB-CG 4.17Å; R223-L226 VanDerWaalsContact O-CB 3.32Å; R223-L226 WeakPolarHBondContact O-CB 3.46Å; R223-L226 PolarHBondContact O-N 2.88Å; M224-L226 PolarHBondContact O-N 2.92Å; L226-R274 WeakPolarHBondContact CD1-O 3.22Å; L226-A275 HydrophobicContact CD1-CB 4.28Å; L226-I543 HydrophobicContact CD2-CD1 4Å
227L89.2Confident91.9Very high5 Ų540.6 Ų40.63%0.02621%0.21CC..SBendtrans-73.5160.4173.7-68.5169.6000110.7E193 E194 M224 Y231 I232 I236 H259E193-L227 HydrophobicContact CB-CD2 3.6Å; E193-L227 HydrophobicContact CB-CG 3.94Å; E194-L227 HydrophobicContact CB-CD2 4.42Å; E194-L227 HydrophobicContact CG-CD2 3.56Å; M224-L227 HydrophobicContact CB-CD1 4.39Å; M224-L227 HydrophobicContact CG-CD1 4.3Å; M224-L227 VanDerWaalsContact O-CB 3.31Å; M224-L227 WeakPolarHBondContact O-CB 3.23Å; M224-L227 PolarHBondContact O-N 2.87Å; L227-Y231 HydrophobicContact CD1-CD1 4.01Å; L227-Y231 HydrophobicContact CD1-CE1 4.34Å; L227-Y231 HydrophobicContact CD2-CD1 4.19Å; L227-I232 HydrophobicContact CB-CD1 4.24Å; L227-I232 HydrophobicContact CB-CG1 3.96Å; L227-I236 HydrophobicContact CD1-CD1 3.38Å; L227-H259 PolarHBondContact O-CE1 2.92Å; L227-H259 VanDerWaalsContact O-CE1 3.28Å; L227-H259 PolarHBondContact O-NE2 2.94Å
228T84.4Confident91.8Very high68 Ų6839.3 Ų39.342%0.41721%0.209SC..  trans-69.1144.6173.670.40000110.2R230 Y231 I232T228-R230 PolarHBondContact O-N 3.12Å; T228-R230 VanDerWaalsContact O-N 3.07Å; T228-Y231 PolarHBondContact O-N 2.94Å; T228-Y231 WeakPolarHBondContact OG1-CB 3.32Å; T228-Y231 PolarHBondContact OG1-N 2.95Å; T228-I232 PolarHBondContact O-N 3.35Å; T228-I232 VanDerWaalsContact O-N 3.14Å
229P86.4Confident91.8Very high72 Ų7240.6 Ų40.647%0.46822%0.215SC..Hα-helixtrans-53.8-32.3175.8-28.834.7000113.5I232 T233 H259P229-I232 PolarHBondContact O-N 3.44Å; P229-T233 WeakPolarHBondContact O-CG2 3.48Å; P229-T233 PolarHBondContact O-N 2.97Å; P229-T233 PolarHBondContact O-OG1 3.43Å; P229-H259 HydrophobicContact CG-CB 4.36Å
230R85.8Confident91.6Very high138 Ų13844.4 Ų44.452%0.52124%0.24SC..Hα-helixtrans-67.1-46.4177.2-67.3180178.1-154.7-8.7112.4T228 I232 T233 D234T228-R230 PolarHBondContact O-N 3.12Å; T228-R230 VanDerWaalsContact O-N 3.07Å; R230-I232 PolarHBondContact O-N 2.87Å; R230-T233 PolarHBondContact O-N 3.14Å; R230-T233 PolarHBondContact O-OG1 3.15Å; R230-D234 WeakPolarHBondContact O-CB 3.2Å; R230-D234 VanDerWaalsContact O-CG 3.26Å; R230-D234 PolarHBondContact O-N 3.27Å
231Y90.2Very high91.5Very high18 Ų1842 Ų427%0.07123%0.229CC..Hα-helixtrans-61.4-40.3177.8-167.5-86000110.6E194 F197 E198 L227 T228 V235 I236E194-Y231 HydrophobicContact CB-CD2 4.47Å; E194-Y231 HydrophobicContact CB-CE1 4.43Å; E194-Y231 HydrophobicContact CB-CE2 3.85Å; E194-Y231 VanDerWaalsContact CD-CE2 3.49Å; E194-Y231 HydrophobicContact CG-CD1 4.19Å; E194-Y231 HydrophobicContact CG-CD2 3.65Å; E194-Y231 HydrophobicContact CG-CE1 4.1Å; E194-Y231 HydrophobicContact CG-CE2 3.54Å; E194-Y231 HydrophobicContact CG-CG 3.98Å; E194-Y231 WeakPolarHBondContact OE1-CD2 3.43Å; F197-Y231 AromaticContact CD1-CE1 3.84Å; F197-Y231 HydrophobicContact CD1-CE1 3.84Å; F197-Y231 HydrophobicContact CE1-CE1 4.41Å; F197-Y231 HydrophobicContact CG-CE1 4.36Å; E198-Y231 VanDerWaalsContact CG-OH 3.26Å; E198-Y231 WeakPolarHBondContact CG-OH 3.39Å; E198-Y231 PolarHBondContact OE1-OH 2.9Å; L227-Y231 HydrophobicContact CD1-CD1 4.01Å; L227-Y231 HydrophobicContact CD1-CE1 4.34Å; L227-Y231 HydrophobicContact CD2-CD1 4.19Å; T228-Y231 PolarHBondContact O-N 2.94Å; T228-Y231 WeakPolarHBondContact OG1-CB 3.32Å; T228-Y231 PolarHBondContact OG1-N 2.95Å; Y231-V235 HydrophobicContact CD1-CB 4.29Å; Y231-V235 HydrophobicContact CD2-CB 4.34Å; Y231-V235 HydrophobicContact CD2-CG2 3.92Å; Y231-V235 HydrophobicContact CE1-CB 4.17Å; Y231-V235 HydrophobicContact CE1-CG1 4.14Å; Y231-V235 HydrophobicContact CE2-CB 4.23Å; Y231-V235 HydrophobicContact CE2-CG1 4.24Å; Y231-V235 HydrophobicContact CE2-CG2 3.96Å; Y231-V235 HydrophobicContact CG-CB 4.37Å; Y231-V235 HydrophobicContact CG-CG2 4.32Å; Y231-V235 WeakPolarHBondContact O-CA 3.16Å; Y231-V235 VanDerWaalsContact O-CB 3.31Å; Y231-V235 WeakPolarHBondContact O-CB 3.47Å; Y231-V235 PolarHBondContact O-N 2.62Å; Y231-I236 HydrophobicContact CD1-CD1 3.88Å; Y231-I236 HydrophobicContact CD1-CG1 3.89Å; Y231-I236 HydrophobicContact CE1-CD1 4.05Å; Y231-I236 HydrophobicContact CE1-CG1 3.89Å; Y231-I236 PolarHBondContact O-N 3.19Å; Y231-I236 VanDerWaalsContact O-N 3.1Å
232I93.3Very high91.3Very high2 Ų239.6 Ų39.61%0.0122%0.219CC..Iπ-helixtrans-61-46.8175.7-61.3168.2000111.4L227 T228 P229 R230 I236 D237 V252 A255 K256 H259L227-I232 HydrophobicContact CB-CD1 4.24Å; L227-I232 HydrophobicContact CB-CG1 3.96Å; T228-I232 PolarHBondContact O-N 3.35Å; T228-I232 VanDerWaalsContact O-N 3.14Å; P229-I232 PolarHBondContact O-N 3.44Å; R230-I232 PolarHBondContact O-N 2.87Å; I232-I236 HydrophobicContact CG1-CD1 4.25Å; I232-I236 WeakPolarHBondContact O-CB 3.46Å; I232-I236 PolarHBondContact O-N 3.34Å; I232-D237 WeakPolarHBondContact O-CB 3.47Å; I232-D237 PolarHBondContact O-N 3.37Å; I232-V252 HydrophobicContact CG2-CG1 3.95Å; I232-A255 HydrophobicContact CD1-CB 4.01Å; I232-K256 HydrophobicContact CG2-CG 4.11Å; I232-H259 WeakPolarHBondContact CD1-NE2 3.5Å
233T91.8Very high91.1Very high69 Ų6946.3 Ų46.342%0.42325%0.245SC..Iπ-helixtrans-78.4-36.8-176.555.80000114.1P229 R230 D237P229-T233 WeakPolarHBondContact O-CG2 3.48Å; P229-T233 PolarHBondContact O-N 2.97Å; P229-T233 PolarHBondContact O-OG1 3.43Å; R230-T233 PolarHBondContact O-N 3.14Å; R230-T233 PolarHBondContact O-OG1 3.15Å; T233-D237 WeakPolarHBondContact O-CB 3.34Å
234D92.3Very high90.9Very high111 Ų11150.6 Ų50.659%0.59428%0.275SS*.Iπ-helixtrans-93.7-31-168.3-59.2-4.5000111.4R230 A238R230-D234 WeakPolarHBondContact O-CB 3.2Å; R230-D234 VanDerWaalsContact O-CG 3.26Å; R230-D234 PolarHBondContact O-N 3.27Å; D234-A238 VanDerWaalsContact O-CB 3.27Å; D234-A238 WeakPolarHBondContact O-CB 3.42Å
235V94.4Very high90.8Very high58 Ų5851.8 Ų51.835%0.35228%0.283SS..Iπ-helixtrans-107.1-59.1-177.9-174.50000110.7F197 Y231 A238 E239F197-V235 HydrophobicContact CE1-CG1 4.33Å; Y231-V235 HydrophobicContact CD1-CB 4.29Å; Y231-V235 HydrophobicContact CD2-CB 4.34Å; Y231-V235 HydrophobicContact CD2-CG2 3.92Å; Y231-V235 HydrophobicContact CE1-CB 4.17Å; Y231-V235 HydrophobicContact CE1-CG1 4.14Å; Y231-V235 HydrophobicContact CE2-CB 4.23Å; Y231-V235 HydrophobicContact CE2-CG1 4.24Å; Y231-V235 HydrophobicContact CE2-CG2 3.96Å; Y231-V235 HydrophobicContact CG-CB 4.37Å; Y231-V235 HydrophobicContact CG-CG2 4.32Å; Y231-V235 WeakPolarHBondContact O-CA 3.16Å; Y231-V235 VanDerWaalsContact O-CB 3.31Å; Y231-V235 WeakPolarHBondContact O-CB 3.47Å; Y231-V235 PolarHBondContact O-N 2.62Å; V235-A238 PolarHBondContact O-N 3.16Å; V235-E239 PolarHBondContact O-N 3.11Å
236I95.4Very high90.9Very high0 Ų057.7 Ų57.70%031%0.314CS..Iπ-helixtrans-68.7-49.9-171.8-58179.8000111.5F197 M224 L227 Y231 I232 A238 E239 I242 V252F197-I236 HydrophobicContact CD1-CG1 4.19Å; F197-I236 HydrophobicContact CD2-CD1 4.08Å; F197-I236 HydrophobicContact CD2-CG1 4.16Å; F197-I236 HydrophobicContact CE1-CG1 3.82Å; F197-I236 HydrophobicContact CE2-CB 4.32Å; F197-I236 HydrophobicContact CE2-CD1 4.11Å; F197-I236 HydrophobicContact CE2-CG1 3.79Å; F197-I236 HydrophobicContact CE2-CG2 3.84Å; F197-I236 HydrophobicContact CG-CD1 4.34Å; F197-I236 HydrophobicContact CG-CG1 4.35Å; F197-I236 HydrophobicContact CZ-CB 4.07Å; F197-I236 HydrophobicContact CZ-CD1 4.41Å; F197-I236 HydrophobicContact CZ-CG1 3.61Å; F197-I236 HydrophobicContact CZ-CG2 3.95Å; M224-I236 HydrophobicContact CE-CD1 4.26Å; M224-I236 HydrophobicContact CE-CG2 4.14Å; M224-I236 HydrophobicContact CG-CD1 4.43Å; L227-I236 HydrophobicContact CD1-CD1 3.38Å; Y231-I236 HydrophobicContact CD1-CD1 3.88Å; Y231-I236 HydrophobicContact CD1-CG1 3.89Å; Y231-I236 HydrophobicContact CE1-CD1 4.05Å; Y231-I236 HydrophobicContact CE1-CG1 3.89Å; Y231-I236 PolarHBondContact O-N 3.19Å; Y231-I236 VanDerWaalsContact O-N 3.1Å; I232-I236 HydrophobicContact CG1-CD1 4.25Å; I232-I236 WeakPolarHBondContact O-CB 3.46Å; I232-I236 PolarHBondContact O-N 3.34Å; I236-A238 PolarHBondContact O-N 2.98Å; I236-E239 WeakPolarHBondContact O-CB 3.36Å; I236-E239 PolarHBondContact O-N 3.1Å; I236-E239 VanDerWaalsContact O-N 3.17Å; I236-I242 HydrophobicContact CG2-CG1 4.18Å; I236-I242 HydrophobicContact CG2-CG2 4.48Å; I236-V252 HydrophobicContact CG2-CG1 4.39Å; I236-V252 HydrophobicContact CG2-CG2 3.47Å; I236-V252 VanDerWaalsContact CG2-CG2 3.47Å
237D91.7Very high91.3Very high43 Ų4360.7 Ų60.723%0.2333%0.326CS..THydrogen-bonded Turntrans-63.6-25.5177.6-98.3-11000113.2I232 T233 R243 V252 K256I232-D237 WeakPolarHBondContact O-CB 3.47Å; I232-D237 PolarHBondContact O-N 3.37Å; T233-D237 WeakPolarHBondContact O-CB 3.34Å; D237-R243 PolarHBondContact O-NE 2.88Å; D237-R243 PolarHBondContact O-NH2 2.6Å; D237-R243 VanDerWaalsContact O-NH2 3.16Å; D237-V252 VanDerWaalsContact OD1-CG1 3.28Å; D237-V252 WeakPolarHBondContact OD1-CG1 3.29Å; D237-K256 VanDerWaalsContact CG-CE 3.44Å; D237-K256 VanDerWaalsContact OD1-CE 3.31Å; D237-K256 WeakPolarHBondContact OD1-CE 3.42Å; D237-K256 IonicContact OD1-NZ 3.5Å; D237-K256 PolarHBondContact OD1-NZ 2.82Å; D237-K256 WeakPolarHBondContact OD2-CE 3.18Å; D237-K256 IonicContact OD2-NZ 2.88Å; D237-K256 PolarHBondContact OD2-NZ 3.16Å
238A92.9Very high91.6Very high46 Ų4660.4 Ų60.438%0.3833%0.325SS..THydrogen-bonded Turntrans-80.4-22.6178.200000112.9D234 V235 I236 P240D234-A238 VanDerWaalsContact O-CB 3.27Å; D234-A238 WeakPolarHBondContact O-CB 3.42Å; V235-A238 PolarHBondContact O-N 3.16Å; I236-A238 PolarHBondContact O-N 2.98Å; A238-P240 WeakPolarHBondContact O-CD 3.36Å
239E94.7Very high92.1Very high27 Ų2762.8 Ų62.813%0.12633%0.326CS..  trans-68.1122.9-174-175.960-125.600111.9I201 K205 V235 I236 F241 I242 R243I201-E239 HydrophobicContact CD1-CG 4.01Å; I201-E239 HydrophobicContact CG2-CG 4.37Å; K205-E239 VanDerWaalsContact CE-OE1 3.25Å; K205-E239 WeakPolarHBondContact CE-OE1 3.46Å; K205-E239 IonicContact NZ-OE1 2.73Å; K205-E239 PolarHBondContact NZ-OE1 3.16Å; K205-E239 IonicContact NZ-OE2 3.22Å; K205-E239 PolarHBondContact NZ-OE2 3.2Å; V235-E239 PolarHBondContact O-N 3.11Å; I236-E239 WeakPolarHBondContact O-CB 3.36Å; I236-E239 PolarHBondContact O-N 3.1Å; I236-E239 VanDerWaalsContact O-N 3.17Å; E239-F241 VanDerWaalsContact C-N 3.31Å; E239-F241 HydrophobicContact CG-CD2 4.28Å; E239-F241 PolarHBondContact O-N 3.11Å; E239-F241 WeakPolarHBondContact OE1-CD2 3.47Å; E239-I242 HydrophobicContact CB-CB 4.49Å; E239-I242 HydrophobicContact CB-CG1 3.97Å; E239-I242 HydrophobicContact CG-CG1 4.22Å; E239-I242 WeakPolarHBondContact O-CB 3.45Å; E239-I242 PolarHBondContact O-N 3.35Å; E239-I242 VanDerWaalsContact O-N 3.14Å; E239-R243 PolarHBondContact O-N 2.97Å
240P92.7Very high92.5Very high81 Ų8164.3 Ų64.353%0.52633%0.331SS..Hα-helixtrans-55.1-37.6-178-31.436.8000115.3A238 I242 R243 C244A238-P240 WeakPolarHBondContact O-CD 3.36Å; P240-I242 VanDerWaalsContact C-N 3.3Å; P240-I242 PolarHBondContact O-N 3.29Å; P240-R243 PolarHBondContact O-N 3.26Å; P240-C244 PolarHBondContact O-N 2.98Å; P240-C244 PolarHBondContact O-SG 3.36Å; P240-C244 VanDerWaalsContact O-SG 3.33Å
241F91.6Very high92.9Very high18 Ų1858.9 Ų58.98%0.07931%0.312CS..Hα-helixtrans-65.7-34.7-179.9-61.4-75000112.9V204 K205 K208 E212 L215 E239 C244 S245V204-F241 HydrophobicContact CG1-CD1 4.27Å; V204-F241 HydrophobicContact CG1-CE1 4.2Å; K205-F241 HydrophobicContact CD-CE2 4.35Å; K205-F241 HydrophobicContact CG-CD2 4.49Å; K205-F241 HydrophobicContact CG-CE2 3.5Å; K205-F241 VanDerWaalsContact CG-CE2 3.5Å; K205-F241 HydrophobicContact CG-CZ 4.03Å; K208-F241 HydrophobicContact CD-CE1 3.74Å; K208-F241 HydrophobicContact CD-CZ 4.1Å; K208-F241 HydrophobicContact CG-CE1 3.88Å; K208-F241 HydrophobicContact CG-CZ 4.41Å; E212-F241 HydrophobicContact CG-CD1 4.35Å; L215-F241 HydrophobicContact CD2-CB 3.46Å; L215-F241 VanDerWaalsContact CD2-CB 3.46Å; L215-F241 HydrophobicContact CD2-CG 4.4Å; E239-F241 VanDerWaalsContact C-N 3.31Å; E239-F241 HydrophobicContact CG-CD2 4.28Å; E239-F241 PolarHBondContact O-N 3.11Å; E239-F241 WeakPolarHBondContact OE1-CD2 3.47Å; F241-C244 PolarHBondContact O-N 3.01Å; F241-S245 PolarHBondContact O-N 2.72Å
242I92.2Very high93.2Very high2 Ų258 Ų581%0.0131%0.309CS..Hα-helixtrans-67.7-43.8174.7-57.7-58.9000109.5F197 L215 L219 I236 E239 P240 C244 S245 C248 R249 V252F197-I242 HydrophobicContact CE2-CD1 4.41Å; L215-I242 HydrophobicContact CD2-CD1 4.46Å; L219-I242 HydrophobicContact CD2-CD1 3.44Å; L219-I242 VanDerWaalsContact CD2-CD1 3.44Å; I236-I242 HydrophobicContact CG2-CG1 4.18Å; I236-I242 HydrophobicContact CG2-CG2 4.48Å; E239-I242 HydrophobicContact CB-CB 4.49Å; E239-I242 HydrophobicContact CB-CG1 3.97Å; E239-I242 HydrophobicContact CG-CG1 4.22Å; E239-I242 WeakPolarHBondContact O-CB 3.45Å; E239-I242 PolarHBondContact O-N 3.35Å; E239-I242 VanDerWaalsContact O-N 3.14Å; P240-I242 VanDerWaalsContact C-N 3.3Å; P240-I242 PolarHBondContact O-N 3.29Å; I242-C244 VanDerWaalsContact C-N 3.3Å; I242-C244 PolarHBondContact O-N 3.44Å; I242-S245 PolarHBondContact O-N 2.92Å; I242-S245 VanDerWaalsContact O-O 3.11Å; I242-C248 HydrophobicContact CD1-CB 3.85Å; I242-C248 HydrophobicContact CG2-CB 4.26Å; I242-R249 WeakPolarHBondContact O-CG 3.11Å; I242-V252 HydrophobicContact CG2-CG2 3.79Å
243R90.5Very high93.2Very high141 Ų14160.9 Ų60.953%0.53232%0.324SS..Hα-helixtrans-64-32.9178.1-68.2-177.8177.8176.7-0.9112.5D237 E239 P240 S245 R249D237-R243 PolarHBondContact O-NE 2.88Å; D237-R243 PolarHBondContact O-NH2 2.6Å; D237-R243 VanDerWaalsContact O-NH2 3.16Å; E239-R243 PolarHBondContact O-N 2.97Å; P240-R243 PolarHBondContact O-N 3.26Å; R243-S245 VanDerWaalsContact C-N 3.35Å; R243-R249 PolarHBondContact O-NE 3.19Å; R243-R249 PolarHBondContact O-NH2 3.12Å
244C89.2Confident93.3Very high98 Ų9860.2 Ų60.266%0.66232%0.316SS*.Hα-helixtrans-78.9-15.6-178.4-68.40000114.2P240 F241 I242P240-C244 PolarHBondContact O-N 2.98Å; P240-C244 PolarHBondContact O-SG 3.36Å; P240-C244 VanDerWaalsContact O-SG 3.33Å; F241-C244 PolarHBondContact O-N 3.01Å; I242-C244 VanDerWaalsContact C-N 3.3Å; I242-C244 PolarHBondContact O-N 3.44Å
245S91.8Very high93.3Very high27 Ų2755 Ų5519%0.18929%0.288CS..  trans-114.5121.9-176.1173.50000112.4F241 I242 R243 Q247 C248 R249F241-S245 PolarHBondContact O-N 2.72Å; I242-S245 PolarHBondContact O-N 2.92Å; I242-S245 VanDerWaalsContact O-O 3.11Å; R243-S245 VanDerWaalsContact C-N 3.35Å; S245-Q247 VanDerWaalsContact C-N 3.34Å; S245-Q247 PolarHBondContact O-N 3.16Å; S245-C248 VanDerWaalsContact CB-SG 3.59Å; S245-C248 PolarHBondContact O-N 2.68Å; S245-C248 PolarHBondContact OG-N 2.88Å; S245-C248 PolarHBondContact OG-SG 3.32Å; S245-C248 VanDerWaalsContact OG-SG 3.42Å; S245-R249 WeakPolarHBondContact O-CG 3.41Å; S245-R249 PolarHBondContact O-N 3.28Å; S245-R249 VanDerWaalsContact O-N 3.1Å
246L93.1Very high93.2Very high129 Ų12954.5 Ų54.568%0.67528%0.281SS*.Hα-helixtrans-61-42.3175.7-68.8174.4000111.8C248 R249 D250L246-C248 VanDerWaalsContact C-N 3.32Å; L246-C248 PolarHBondContact O-N 3.26Å; L246-R249 WeakPolarHBondContact O-CB 3.34Å; L246-R249 PolarHBondContact O-N 2.8Å; L246-R249 VanDerWaalsContact O-N 3.15Å; L246-D250 PolarHBondContact O-N 3.47Å
247Q94.3Very high93.1Very high121 Ų12160.5 Ų60.557%0.56531%0.307SS*.Hα-helixtrans-64.2-37.5179.6-67.5174.4-32.400112.1P216 S245 D250 L251P216-Q247 HydrophobicContact CB-CB 3.79Å; P216-Q247 HydrophobicContact CG-CB 4.13Å; S245-Q247 VanDerWaalsContact C-N 3.34Å; S245-Q247 PolarHBondContact O-N 3.16Å; Q247-D250 PolarHBondContact O-N 3.17Å; Q247-L251 PolarHBondContact O-N 2.92Å
248C94.7Very high92.9Very high0 Ų058.6 Ų58.60%030%0.297CS..Hα-helixtrans-66.2-41.5174.3-65.20000111.4L219 I242 S245 L246 D250 L251 V252L219-C248 HydrophobicContact CD2-CB 3.91Å; I242-C248 HydrophobicContact CD1-CB 3.85Å; I242-C248 HydrophobicContact CG2-CB 4.26Å; S245-C248 VanDerWaalsContact CB-SG 3.59Å; S245-C248 PolarHBondContact O-N 2.68Å; S245-C248 PolarHBondContact OG-N 2.88Å; S245-C248 PolarHBondContact OG-SG 3.32Å; S245-C248 VanDerWaalsContact OG-SG 3.42Å; L246-C248 VanDerWaalsContact C-N 3.32Å; L246-C248 PolarHBondContact O-N 3.26Å; C248-D250 VanDerWaalsContact C-N 3.32Å; C248-D250 PolarHBondContact O-N 2.92Å; C248-L251 PolarHBondContact O-N 3.44Å; C248-V252 WeakPolarHBondContact O-CG2 3.41Å; C248-V252 PolarHBondContact O-N 3.48Å; C248-V252 VanDerWaalsContact O-N 3.12Å
249R94.6Very high92.5Very high117 Ų11758.5 Ų58.544%0.44229%0.289SS..Hα-helixtrans-62.1-39.2175.5-66.9177.3-175.1-160.70.8112I242 R243 S245 L246 L251 V252 D253I242-R249 WeakPolarHBondContact O-CG 3.11Å; R243-R249 PolarHBondContact O-NE 3.19Å; R243-R249 PolarHBondContact O-NH2 3.12Å; S245-R249 WeakPolarHBondContact O-CG 3.41Å; S245-R249 PolarHBondContact O-N 3.28Å; S245-R249 VanDerWaalsContact O-N 3.1Å; L246-R249 WeakPolarHBondContact O-CB 3.34Å; L246-R249 PolarHBondContact O-N 2.8Å; L246-R249 VanDerWaalsContact O-N 3.15Å; R249-L251 VanDerWaalsContact C-N 3.31Å; R249-L251 PolarHBondContact O-N 3.39Å; R249-V252 PolarHBondContact O-N 3.36Å; R249-D253 WeakPolarHBondContact O-CB 3.38Å; R249-D253 PolarHBondContact O-N 3.31Å
250D95.2Very high92.2Very high105 Ų10563.6 Ų63.656%0.56132%0.316SS*.Hα-helixtrans-60.3-40.6177.4-70-26.8000111.9L246 Q247 C248 D253 E254L246-D250 PolarHBondContact O-N 3.47Å; Q247-D250 PolarHBondContact O-N 3.17Å; C248-D250 VanDerWaalsContact C-N 3.32Å; C248-D250 PolarHBondContact O-N 2.92Å; D250-D253 PolarHBondContact O-N 3.41Å; D250-E254 WeakPolarHBondContact O-CB 3.49Å; D250-E254 PolarHBondContact O-N 3.05Å
251L95.2Very high91.9Very high24 Ų2464.9 Ų64.913%0.12631%0.31CS..Hα-helixtrans-65-40.9174.9-67.8171.1000112.1L219 Q220 M224 Q247 C248 R249 E254 A255L219-L251 HydrophobicContact CB-CD1 3.92Å; L219-L251 HydrophobicContact CD2-CD1 4.1Å; L219-L251 HydrophobicContact CG-CD1 4.13Å; Q220-L251 HydrophobicContact CB-CD1 4.32Å; Q220-L251 HydrophobicContact CB-CD2 4.37Å; M224-L251 HydrophobicContact SD-CB 4.47Å; Q247-L251 PolarHBondContact O-N 2.92Å; C248-L251 PolarHBondContact O-N 3.44Å; R249-L251 VanDerWaalsContact C-N 3.31Å; R249-L251 PolarHBondContact O-N 3.39Å; L251-E254 WeakPolarHBondContact O-CB 3.48Å; L251-E254 PolarHBondContact O-N 3.47Å; L251-A255 PolarHBondContact O-N 3.19Å; L251-A255 VanDerWaalsContact O-N 3.15Å
252V95.1Very high90.9Very high0 Ų067.3 Ų67.30%033%0.328CS..Hα-helixtrans-68.6-39.11771760000111.2M224 I232 I236 D237 I242 C248 R249 A255 K256M224-V252 HydrophobicContact CE-CG2 4.32Å; M224-V252 HydrophobicContact SD-CG2 3.93Å; I232-V252 HydrophobicContact CG2-CG1 3.95Å; I236-V252 HydrophobicContact CG2-CG1 4.39Å; I236-V252 HydrophobicContact CG2-CG2 3.47Å; I236-V252 VanDerWaalsContact CG2-CG2 3.47Å; D237-V252 VanDerWaalsContact OD1-CG1 3.28Å; D237-V252 WeakPolarHBondContact OD1-CG1 3.29Å; I242-V252 HydrophobicContact CG2-CG2 3.79Å; C248-V252 WeakPolarHBondContact O-CG2 3.41Å; C248-V252 PolarHBondContact O-N 3.48Å; C248-V252 VanDerWaalsContact O-N 3.12Å; R249-V252 PolarHBondContact O-N 3.36Å; V252-A255 PolarHBondContact O-N 3.07Å; V252-K256 HydrophobicContact CG1-CD 4.47Å; V252-K256 WeakPolarHBondContact O-CG 3.31Å; V252-K256 PolarHBondContact O-N 3.08Å
253D93.9Very high90.2Very high62 Ų6272.7 Ų72.733%0.33235%0.353SS..Hα-helixtrans-69.6-32.1176.4-74.3-16.6000112R249 D250 K256 K257R249-D253 WeakPolarHBondContact O-CB 3.38Å; R249-D253 PolarHBondContact O-N 3.31Å; D250-D253 PolarHBondContact O-N 3.41Å; D253-K256 PolarHBondContact O-N 3.07Å; D253-K256 IonicContact OD1-NZ 2.77Å; D253-K256 PolarHBondContact OD1-NZ 3.23Å; D253-K257 VanDerWaalsContact O-CB 3.31Å; D253-K257 WeakPolarHBondContact O-CB 3.32Å; D253-K257 WeakPolarHBondContact O-CD 3.46Å; D253-K257 WeakPolarHBondContact O-CG 3.43Å; D253-K257 PolarHBondContact O-N 3.19Å
254E93.6Very high89.7Confident55 Ų5568.3 Ų68.326%0.25734%0.34SS..Hα-helixtrans-58.3-49.9167.5-178.3-171142.100110.8D250 L251 K256 K257 F258 R272D250-E254 WeakPolarHBondContact O-CB 3.49Å; D250-E254 PolarHBondContact O-N 3.05Å; L251-E254 WeakPolarHBondContact O-CB 3.48Å; L251-E254 PolarHBondContact O-N 3.47Å; E254-K256 PolarHBondContact O-N 3.24Å; E254-K257 PolarHBondContact O-N 2.57Å; E254-F258 WeakPolarHBondContact O-CB 3.26Å; E254-F258 PolarHBondContact O-N 3.11Å; E254-R272 IonicContact OE1-CZ 3.99Å; E254-R272 IonicContact OE1-NE 2.59Å; E254-R272 PolarHBondContact OE1-NE 3.39Å; E254-R272 IonicContact OE1-NH2 3.61Å; E254-R272 PolarHBondContact OE1-NH2 3.45Å; E254-R272 IonicContact OE2-CZ 2.71Å; E254-R272 IonicContact OE2-NE 2.96Å; E254-R272 PolarHBondContact OE2-NE 2.91Å; E254-R272 IonicContact OE2-NH2 3.92Å; E254-R272 PolarHBondContact OE2-NH2 2.89Å
255A92.6Very high89.3Confident0 Ų065.5 Ų65.50%032%0.315CS..Hα-helixtrans-62.2-43177.600000112M224 P225 I232 L251 V252 F258 H259M224-A255 HydrophobicContact CB-CB 3.72Å; P225-A255 HydrophobicContact CG-CB 4.25Å; I232-A255 HydrophobicContact CD1-CB 4.01Å; L251-A255 PolarHBondContact O-N 3.19Å; L251-A255 VanDerWaalsContact O-N 3.15Å; V252-A255 PolarHBondContact O-N 3.07Å; A255-F258 WeakPolarHBondContact O-CB 3.34Å; A255-F258 PolarHBondContact O-N 2.92Å; A255-H259 PolarHBondContact O-CD2 2.82Å; A255-H259 PolarHBondContact O-N 2.8Å
256K93.2Very high88.5Confident49 Ų4967.4 Ų67.421%0.21333%0.329CS..Hα-helixtrans-61.8-46.8173.6-70.9173.1-169.1157.60112.1I232 D237 V252 D253 E254 F258 H259 L260I232-K256 HydrophobicContact CG2-CG 4.11Å; D237-K256 VanDerWaalsContact CG-CE 3.44Å; D237-K256 VanDerWaalsContact OD1-CE 3.31Å; D237-K256 WeakPolarHBondContact OD1-CE 3.42Å; D237-K256 IonicContact OD1-NZ 3.5Å; D237-K256 PolarHBondContact OD1-NZ 2.82Å; D237-K256 WeakPolarHBondContact OD2-CE 3.18Å; D237-K256 IonicContact OD2-NZ 2.88Å; D237-K256 PolarHBondContact OD2-NZ 3.16Å; V252-K256 HydrophobicContact CG1-CD 4.47Å; V252-K256 WeakPolarHBondContact O-CG 3.31Å; V252-K256 PolarHBondContact O-N 3.08Å; D253-K256 PolarHBondContact O-N 3.07Å; D253-K256 IonicContact OD1-NZ 2.77Å; D253-K256 PolarHBondContact OD1-NZ 3.23Å; E254-K256 PolarHBondContact O-N 3.24Å; K256-F258 PolarHBondContact O-N 2.92Å; K256-H259 CarbonylContact O-C 3.6Å; K256-H259 PolarHBondContact O-N 2.79Å; K256-H259 VanDerWaalsContact O-N 3.09Å; K256-L260 HydrophobicContact CB-CD1 4.42Å; K256-L260 WeakPolarHBondContact O-CB 3.42Å; K256-L260 WeakPolarHBondContact O-CG 3.35Å; K256-L260 PolarHBondContact O-N 3.31Å
257K91.7Very high88Confident125 Ų12568.5 Ų68.554%0.54333%0.33SS..Hα-helixtrans-57.4-40.4176.9-77.3167.1-173.3166.70110.8D253 E254 H259 L260 R261 M268D253-K257 VanDerWaalsContact O-CB 3.31Å; D253-K257 WeakPolarHBondContact O-CB 3.32Å; D253-K257 WeakPolarHBondContact O-CD 3.46Å; D253-K257 WeakPolarHBondContact O-CG 3.43Å; D253-K257 PolarHBondContact O-N 3.19Å; E254-K257 PolarHBondContact O-N 2.57Å; K257-H259 VanDerWaalsContact C-N 3.35Å; K257-H259 PolarHBondContact O-N 3.32Å; K257-L260 PolarHBondContact O-N 2.9Å; K257-R261 WeakPolarHBondContact O-CB 3.43Å; K257-R261 PolarHBondContact O-N 2.94Å; K257-M268 HydrophobicContact CB-CE 3.93Å
258F87.8Confident87.5Confident4 Ų465.3 Ų65.32%0.01832%0.316CS..Hα-helixtrans-61.2-41.9176.2180-91.9000112P225 E254 A255 K256 R265 M268 T273 I543P225-F258 HydrophobicContact CB-CB 4.27Å; P225-F258 HydrophobicContact CB-CD1 3.62Å; P225-F258 HydrophobicContact CB-CD2 4.28Å; P225-F258 HydrophobicContact CB-CE1 3.82Å; P225-F258 HydrophobicContact CB-CE2 4.46Å; P225-F258 HydrophobicContact CB-CG 3.82Å; P225-F258 HydrophobicContact CB-CZ 4.2Å; P225-F258 VanDerWaalsContact O-CE1 3.32Å; P225-F258 WeakPolarHBondContact O-CE1 3.3Å; E254-F258 WeakPolarHBondContact O-CB 3.26Å; E254-F258 PolarHBondContact O-N 3.11Å; A255-F258 WeakPolarHBondContact O-CB 3.34Å; A255-F258 PolarHBondContact O-N 2.92Å; K256-F258 PolarHBondContact O-N 2.92Å; F258-R265 HydrophobicContact CD2-CB 4.44Å; F258-R265 HydrophobicContact CD2-CG 3.89Å; F258-R265 HydrophobicContact CE2-CB 4.1Å; F258-R265 HydrophobicContact CE2-CG 3.86Å; F258-R265 HydrophobicContact CG-CG 4.33Å; F258-R265 HydrophobicContact CZ-CG 4.3Å; F258-R265 PolarHBondContact O-NE 2.77Å; F258-M268 HydrophobicContact CB-CE 3.89Å; F258-M268 HydrophobicContact CD2-CB 4.25Å; F258-T273 HydrophobicContact CD2-CG2 3.86Å; F258-T273 HydrophobicContact CE2-CG2 3.43Å; F258-T273 VanDerWaalsContact CE2-CG2 3.43Å; F258-T273 HydrophobicContact CZ-CG2 3.99Å; F258-I543 HydrophobicContact CE1-CG2 4.25Å; F258-I543 HydrophobicContact CE2-CG2 3.62Å; F258-I543 HydrophobicContact CZ-CB 4.23Å; F258-I543 HydrophobicContact CZ-CD1 4.02Å; F258-I543 HydrophobicContact CZ-CG1 4.01Å; F258-I543 HydrophobicContact CZ-CG2 3.24Å
259H84.4Confident86.9Confident44 Ų4469.3 Ų69.320%0.20434%0.335CS..Hα-helixtrans-72.8-32.8173.9-68.7-66.9000113.8P225 L227 P229 I232 A255 K256 K257P225-H259 PolarHBondContact O-CE1 2.92Å; P225-H259 PolarHBondContact O-NE2 2.74Å; L227-H259 PolarHBondContact O-CE1 2.92Å; L227-H259 VanDerWaalsContact O-CE1 3.28Å; L227-H259 PolarHBondContact O-NE2 2.94Å; P229-H259 HydrophobicContact CG-CB 4.36Å; I232-H259 WeakPolarHBondContact CD1-NE2 3.5Å; A255-H259 PolarHBondContact O-CD2 2.82Å; A255-H259 PolarHBondContact O-N 2.8Å; K256-H259 CarbonylContact O-C 3.6Å; K256-H259 PolarHBondContact O-N 2.79Å; K256-H259 VanDerWaalsContact O-N 3.09Å; K257-H259 VanDerWaalsContact C-N 3.35Å; K257-H259 PolarHBondContact O-N 3.32Å
260L88.5Confident86.4Confident133 Ų13365.3 Ų65.370%0.69633%0.33SS*.Hα-helixtrans-80.6-19.5-177.4-70.8170.6000114.1K256 K257 P262K256-L260 HydrophobicContact CB-CD1 4.42Å; K256-L260 WeakPolarHBondContact O-CB 3.42Å; K256-L260 WeakPolarHBondContact O-CG 3.35Å; K256-L260 PolarHBondContact O-N 3.31Å; K257-L260 PolarHBondContact O-N 2.9Å; L260-P262 VanDerWaalsContact C-CD 3.47Å
261R85.8Confident85.9Confident109 Ų10965.8 Ų65.841%0.41134%0.339SS..  trans-125.364-176.1-56.7-62.1-57.3-80.1-3112.6K257 E263 L264 R265K257-R261 WeakPolarHBondContact O-CB 3.43Å; K257-R261 PolarHBondContact O-N 2.94Å; R261-E263 VanDerWaalsContact C-OE2 3.27Å; R261-E263 WeakPolarHBondContact CA-OE2 3.43Å; R261-E263 IonicContact CZ-OE1 3.72Å; R261-E263 IonicContact NE-OE1 3.68Å; R261-E263 PolarHBondContact NE-OE1 2.76Å; R261-E263 IonicContact NH2-OE1 2.68Å; R261-E263 PolarHBondContact NH2-OE1 2.82Å; R261-E263 PolarHBondContact O-N 2.81Å; R261-E263 VanDerWaalsContact O-N 3.13Å; R261-L264 HydrophobicContact CB-CB 4.3Å; R261-L264 PolarHBondContact O-N 3.12Å; R261-R265 PolarHBondContact O-N 2.83Å
262P72.4Confident85.7Confident68 Ų6867.4 Ų67.444%0.44234%0.343SS..G310 helixtrans-51.5-37.7-179-25.734.7000114L260 L264 R265L260-P262 VanDerWaalsContact C-CD 3.47Å; P262-L264 PolarHBondContact O-N 2.77Å; P262-R265 WeakPolarHBondContact O-CB 3.39Å; P262-R265 WeakPolarHBondContact O-CG 3.18Å; P262-R265 PolarHBondContact O-N 3.02Å
263E75.7Confident85.1Confident115 Ų11567.7 Ų67.754%0.53735%0.345SS..G310 helixtrans-68.5-17.8-177.875.1-74.2179.900114.4R261R261-E263 VanDerWaalsContact C-OE2 3.27Å; R261-E263 WeakPolarHBondContact CA-OE2 3.43Å; R261-E263 IonicContact CZ-OE1 3.72Å; R261-E263 IonicContact NE-OE1 3.68Å; R261-E263 PolarHBondContact NE-OE1 2.76Å; R261-E263 IonicContact NH2-OE1 2.68Å; R261-E263 PolarHBondContact NH2-OE1 2.82Å; R261-E263 PolarHBondContact O-N 2.81Å; R261-E263 VanDerWaalsContact O-N 3.13Å
264L82Confident84.5Confident49 Ų4971.1 Ų71.126%0.25735%0.353SS..G310 helixtrans-104.8-0.4177.6-65.1-173.5000113.3R261 P262 S266 Q267 M268R261-L264 HydrophobicContact CB-CB 4.3Å; R261-L264 PolarHBondContact O-N 3.12Å; P262-L264 PolarHBondContact O-N 2.77Å; L264-S266 PolarHBondContact O-N 3.34Å; L264-S266 VanDerWaalsContact O-N 3.12Å; L264-Q267 WeakPolarHBondContact O-CA 3.19Å; L264-Q267 WeakPolarHBondContact O-CB 3.33Å; L264-Q267 PolarHBondContact O-N 2.64Å; L264-M268 HydrophobicContact CB-SD 4.38Å; L264-M268 WeakPolarHBondContact O-CG 3.36Å; L264-M268 PolarHBondContact O-N 2.89Å; L264-M268 VanDerWaalsContact O-N 3.16Å
265R79.8Confident83.8Confident39 Ų3970.4 Ų70.415%0.14736%0.357CS..THydrogen-bonded Turntrans-59.9-28.8-175.2-73.5170.9171.7179.33.9113.6F258 R261 P262 Q267 M268 Q269 I543 I544F258-R265 HydrophobicContact CD2-CB 4.44Å; F258-R265 HydrophobicContact CD2-CG 3.89Å; F258-R265 HydrophobicContact CE2-CB 4.1Å; F258-R265 HydrophobicContact CE2-CG 3.86Å; F258-R265 HydrophobicContact CG-CG 4.33Å; F258-R265 HydrophobicContact CZ-CG 4.3Å; F258-R265 PolarHBondContact O-NE 2.77Å; R261-R265 PolarHBondContact O-N 2.83Å; P262-R265 WeakPolarHBondContact O-CB 3.39Å; P262-R265 WeakPolarHBondContact O-CG 3.18Å; P262-R265 PolarHBondContact O-N 3.02Å; R265-Q267 PolarHBondContact O-N 3.11Å; R265-M268 CarbonylContact O-C 3.59Å; R265-M268 PolarHBondContact O-N 2.92Å; R265-M268 VanDerWaalsContact O-N 3.12Å; R265-Q269 PolarHBondContact O-N 3.38Å; R265-Q269 PolarHBondContact O-NE2 3.23Å; R265-I543 HydrophobicContact CB-CG2 3.71Å; R265-I543 WeakPolarHBondContact CB-O 3.49Å; R265-I543 WeakPolarHBondContact CD-O 3.35Å; R265-I543 HydrophobicContact CG-CG2 4.18Å; R265-I543 PolarHBondContact NH1-O 2.88Å; R265-I544 HydrophobicContact CB-CG2 4.23Å
266S75.2Confident83.3Confident68 Ų6871.5 Ų71.548%0.47636%0.361SS..THydrogen-bonded Turntrans-63.3-30.217456.80000112.8L264 Q269 I544L264-S266 PolarHBondContact O-N 3.34Å; L264-S266 VanDerWaalsContact O-N 3.12Å; S266-Q269 WeakPolarHBondContact O-CG 3.48Å; S266-I544 VanDerWaalsContact CA-CG2 3.47Å
267Q82.6Confident82.2Confident152 Ų15270.7 Ų70.771%0.7136%0.359SS*.THydrogen-bonded Turntrans-88.1-14.3176-57.1173.622.500112.3L264 R265L264-Q267 WeakPolarHBondContact O-CA 3.19Å; L264-Q267 WeakPolarHBondContact O-CB 3.33Å; L264-Q267 PolarHBondContact O-N 2.64Å; R265-Q267 PolarHBondContact O-N 3.11Å
268M84.4Confident80.8Confident53 Ų5364.9 Ų64.926%0.26133%0.334SS..SBendtrans-98.413179.6-59.9177.167.800112.8K257 F258 L264 R265K257-M268 HydrophobicContact CB-CE 3.93Å; F258-M268 HydrophobicContact CB-CE 3.89Å; F258-M268 HydrophobicContact CD2-CB 4.25Å; L264-M268 HydrophobicContact CB-SD 4.38Å; L264-M268 WeakPolarHBondContact O-CG 3.36Å; L264-M268 PolarHBondContact O-N 2.89Å; L264-M268 VanDerWaalsContact O-N 3.16Å; R265-M268 CarbonylContact O-C 3.59Å; R265-M268 PolarHBondContact O-N 2.92Å; R265-M268 VanDerWaalsContact O-N 3.12Å
269Q80.9Confident79.7Confident84 Ų8465.9 Ų65.939%0.39334%0.343SS..  trans-65.3138.5179.5-67.4-58.6-48.700111.5R265 S266 T273R265-Q269 PolarHBondContact O-N 3.38Å; R265-Q269 PolarHBondContact O-NE2 3.23Å; S266-Q269 WeakPolarHBondContact O-CG 3.48Å; Q269-T273 WeakPolarHBondContact CA-OG1 3.47Å; Q269-T273 PolarHBondContact OE1-OG1 2.85Å; Q269-T273 VanDerWaalsContact OE1-OG1 3.05Å
270G84Confident79.2Confident33 Ų3366.1 Ų66.134%0.3435%0.346SS..SBendtrans-170.7-176.517700000112.4R272 T273G270-R272 PolarHBondContact O-N 2.77Å; G270-R272 VanDerWaalsContact O-N 3.11Å; G270-T273 PolarHBondContact N-OG1 3.25Å; G270-T273 PolarHBondContact O-N 3.48Å; G270-T273 PolarHBondContact O-OG1 3.01Å
271P85.2Confident79.1Confident116 Ų11660.8 Ų60.875%0.75332%0.317SS*.G310 helixtrans-55.2-32.3-179.2-26.935.5000113.9
272R90.1Very high79.3Confident57 Ų5755.6 Ų55.622%0.21530%0.298CS..G310 helixtrans-79.9-8178.9-72.3-176.7-71.8-86.27.2115Q220 R223 P225 E254 G270Q220-R272 WeakPolarHBondContact O-CD 3.25Å; Q220-R272 WeakPolarHBondContact O-CG 3.21Å; Q220-R272 PolarHBondContact O-NH1 2.95Å; R223-R272 WeakPolarHBondContact CB-O 3.48Å; P225-R272 WeakPolarHBondContact CD-O 3.21Å; P225-R272 HydrophobicContact CG-CB 4.25Å; E254-R272 IonicContact OE1-CZ 3.99Å; E254-R272 IonicContact OE1-NE 2.59Å; E254-R272 PolarHBondContact OE1-NE 3.39Å; E254-R272 IonicContact OE1-NH2 3.61Å; E254-R272 PolarHBondContact OE1-NH2 3.45Å; E254-R272 IonicContact OE2-CZ 2.71Å; E254-R272 IonicContact OE2-NE 2.96Å; E254-R272 PolarHBondContact OE2-NE 2.91Å; E254-R272 IonicContact OE2-NH2 3.92Å; E254-R272 PolarHBondContact OE2-NH2 2.89Å; G270-R272 PolarHBondContact O-N 2.77Å; G270-R272 VanDerWaalsContact O-N 3.11Å
273T83.9Confident80.3Confident7 Ų752.4 Ų52.44%0.04328%0.277CS..G310 helixtrans-106.24.8178.764.30000112.7P225 F258 Q269 G270P225-T273 HydrophobicContact CB-CG2 3.96Å; P225-T273 HydrophobicContact CG-CG2 4.08Å; F258-T273 HydrophobicContact CD2-CG2 3.86Å; F258-T273 HydrophobicContact CE2-CG2 3.43Å; F258-T273 VanDerWaalsContact CE2-CG2 3.43Å; F258-T273 HydrophobicContact CZ-CG2 3.99Å; Q269-T273 WeakPolarHBondContact CA-OG1 3.47Å; Q269-T273 PolarHBondContact OE1-OG1 2.85Å; Q269-T273 VanDerWaalsContact OE1-OG1 3.05Å; G270-T273 PolarHBondContact N-OG1 3.25Å; G270-T273 PolarHBondContact O-N 3.48Å; G270-T273 PolarHBondContact O-OG1 3.01Å
274R81.5Confident81.3Confident134 Ų13446.9 Ų46.951%0.50625%0.251SS..SBendtrans-99.5131178.3-174-177.2-178.5-169.12.4110.5D186 R223 L226D186-R274 IonicContact OD2-NH1 3.19Å; R223-R274 WeakPolarHBondContact CD-O 3.48Å; R223-R274 PolarHBondContact NH1-O 3Å; L226-R274 WeakPolarHBondContact CD1-O 3.22Å
275A77.3Confident82.1Confident39 Ų3944.6 Ų44.632%0.32224%0.239SC..PPolyproline II helixtrans-67.7155.5175.300000112.8R223 L226R223-A275 PolarHBondContact NH1-O 2.9Å; L226-A275 HydrophobicContact CD1-CB 4.28Å
276R83.3Confident82.9Confident23 Ų2342.7 Ų42.79%0.08723%0.232CC..PPolyproline II helixtrans-66.1145.6176-65.1-162.6-172.2-102.7-4.2110.5I183 C185 D186 I188 E193 R223I183-R276 PolarHBondContact O-NH1 3.01Å; I183-R276 PolarHBondContact O-NH2 2.96Å; C185-R276 PolarHBondContact O-NH1 2.61Å; D186-R276 CarbonylContact O-C 3.53Å; I188-R276 VanDerWaalsContact CD1-CZ 3.45Å; E193-R276 WeakPolarHBondContact OE1-CD 3.45Å; E193-R276 WeakPolarHBondContact OE1-CG 3.23Å; E193-R276 IonicContact OE1-CZ 3.51Å; E193-R276 IonicContact OE1-NE 2.71Å; E193-R276 PolarHBondContact OE1-NE 2.74Å; E193-R276 IonicContact OE1-NH2 2.65Å; E193-R276 PolarHBondContact OE1-NH2 3.19Å; E193-R276 IonicContact OE2-CZ 3.98Å; E193-R276 IonicContact OE2-NE 3.67Å; E193-R276 IonicContact OE2-NH2 3.25Å; E193-R276 PolarHBondContact OE2-NH2 3.05Å; R223-R276 VanDerWaalsContact NH1-CA 3.31Å; R223-R276 VanDerWaalsContact NH1-N 3.1Å
277L70Confident84Confident33 Ų3339.5 Ų39.517%0.17321%0.209CC..  trans-85.2-22178.6-63.1178.9000112.3D186 A279 R519D186-L277 HydrophobicContact CB-CD1 4.43Å; D186-L277 HydrophobicContact CB-CG 4.47Å; D186-L277 PolarHBondContact O-N 2.93Å; L277-A279 CarbonylContact O-C 3.57Å; L277-A279 PolarHBondContact O-N 3.01Å; L277-R519 PolarHBondContact O-NH2 2.77Å
278G62.8Low84.7Confident3 Ų332.2 Ų32.23%0.03118%0.176CC..  trans-48.2-27.7-159.900000118.5D186 E187 Q189 N280D186-G278 PolarHBondContact O-N 2.98Å; D186-G278 VanDerWaalsContact O-N 3.12Å; E187-G278 VanDerWaalsContact CA-CA 3.43Å; E187-G278 WeakPolarHBondContact O-CA 3.11Å; Q189-G278 VanDerWaalsContact CG-C 3.46Å; Q189-G278 VanDerWaalsContact CG-O 3.23Å; Q189-G278 WeakPolarHBondContact CG-O 3.33Å; Q189-G278 PolarHBondContact NE2-O 3Å; G278-N280 PolarHBondContact O-N 3.11Å
279A64.3Low85.3Confident24 Ų2430.8 Ų30.820%0.19817%0.168CC..SBendtrans-69.2122170.800000109.2L277 E281 R519L277-A279 CarbonylContact O-C 3.57Å; L277-A279 PolarHBondContact O-N 3.01Å; A279-E281 HydrophobicContact CB-CG 3.7Å; A279-E281 PolarHBondContact O-N 2.94Å; A279-R519 PolarHBondContact O-NH2 3.13Å; A279-R519 VanDerWaalsContact O-NH2 3.08Å
280N74.5Confident86.1Confident50 Ų5027 Ų2727%0.26715%0.151SC..EExtended strand (participates in β ladder)trans-69.468.2166-74.1-20.3000108.3G278 K305 R566 E567G278-N280 PolarHBondContact O-N 3.11Å; N280-K305 WeakPolarHBondContact OD1-CE 3.49Å; N280-K305 PolarHBondContact OD1-NZ 2.77Å; N280-R566 CarbonylContact O-C 3.57Å; N280-E567 HydrophobicContact CB-CB 3.75Å; N280-E567 HydrophobicContact CB-CG 4.31Å; N280-E567 WeakPolarHBondContact O-CG 3.43Å; N280-E567 PolarHBondContact O-N 2.92Å
281E84.7Confident86.5Confident20 Ų2028.4 Ų28.49%0.09316%0.156CC..EExtended strand (participates in β ladder)trans-89.9124.5176.8-75176.9166.700109.2A279 P304 L518 R519 V564 L565 R566A279-E281 HydrophobicContact CB-CG 3.7Å; A279-E281 PolarHBondContact O-N 2.94Å; E281-P304 WeakPolarHBondContact O-CD 3.16Å; E281-P304 WeakPolarHBondContact O-CG 3.42Å; E281-L518 HydrophobicContact CB-CD1 3.43Å; E281-L518 VanDerWaalsContact CB-CD1 3.43Å; E281-R519 PolarHBondContact OE2-N 2.81Å; E281-V564 HydrophobicContact CB-CG1 3.81Å; E281-V564 HydrophobicContact CG-CG1 3.98Å; E281-L565 CarbonylContact C-O 3.57Å; E281-L565 VanDerWaalsContact CA-O 3.3Å; E281-L565 WeakPolarHBondContact CA-O 3.3Å; E281-R566 HydrophobicContact CG-CG 3.59Å; E281-R566 IonicContact OE1-CZ 3.17Å; E281-R566 IonicContact OE1-NE 3.04Å; E281-R566 PolarHBondContact OE1-NE 3.21Å; E281-R566 IonicContact OE1-NH2 2.63Å; E281-R566 PolarHBondContact OE1-NH2 3.25Å
282V90.4Very high86.8Confident1 Ų131 Ų311%0.00616%0.158CC..EExtended strand (participates in β ladder)trans-115142.8173.7-61.80000110L284 K301 Y302 D303 V564 L565 E567V282-L284 HydrophobicContact CG2-CD2 4.46Å; V282-K301 HydrophobicContact CB-CD 4.07Å; V282-K301 HydrophobicContact CB-CG 3.9Å; V282-K301 HydrophobicContact CG1-CD 4.18Å; V282-K301 HydrophobicContact CG1-CG 4.37Å; V282-K301 HydrophobicContact CG2-CD 3.98Å; V282-K301 HydrophobicContact CG2-CG 4.1Å; V282-Y302 WeakPolarHBondContact CA-O 3.35Å; V282-D303 HydrophobicContact CG1-CB 4.32Å; V282-V564 CarbonylContact O-C 3.52Å; V282-V564 WeakPolarHBondContact O-CA 3.4Å; V282-L565 HydrophobicContact CG2-CB 3.92Å; V282-L565 HydrophobicContact CG2-CD2 4.44Å; V282-L565 PolarHBondContact N-O 3.21Å; V282-L565 PolarHBondContact O-N 3.49Å; V282-E567 HydrophobicContact CG1-CG 4.21Å; V282-E567 HydrophobicContact CG2-CG 4.17Å
283L94.7Very high86.9Confident0 Ų034.9 Ų34.90%018%0.178CC..EExtended strand (participates in β ladder)trans-89.6131.9174.7171.869.7000109.5V285 K301 Y302 W309 T516 L518 I525 I537 V564L283-V285 HydrophobicContact CG-CG2 4.48Å; L283-K301 CarbonylContact O-C 3.6Å; L283-K301 WeakPolarHBondContact O-CA 3.48Å; L283-Y302 HydrophobicContact CB-CD1 4.29Å; L283-Y302 HydrophobicContact CD2-CD1 4.48Å; L283-Y302 PolarHBondContact N-O 2.96Å; L283-Y302 PolarHBondContact O-N 2.87Å; L283-W309 HydrophobicContact CD2-CH2 4.47Å; L283-T516 HydrophobicContact CD1-CG2 3.4Å; L283-L518 HydrophobicContact CB-CD2 4.14Å; L283-I525 HydrophobicContact CD1-CD1 3.75Å; L283-I525 HydrophobicContact CD2-CD1 4.01Å; L283-I525 HydrophobicContact CD2-CG1 4.14Å; L283-I525 HydrophobicContact CG-CD1 4.47Å; L283-I537 HydrophobicContact CD2-CD1 4.13Å; L283-V564 HydrophobicContact CD1-CG2 4.21Å
284L96Very high87.5Confident0 Ų036.6 Ų36.60%019%0.191CC..EExtended strand (participates in β ladder)trans-116.4137.8178.2-61.2174.8000110.8V282 E300 K301 L312 I331 V562 C563 L565V282-L284 HydrophobicContact CG2-CD2 4.46Å; L284-E300 WeakPolarHBondContact CA-O 3.24Å; L284-K301 HydrophobicContact CD2-CB 3.7Å; L284-K301 HydrophobicContact CD2-CD 4.4Å; L284-K301 HydrophobicContact CD2-CG 3.8Å; L284-L312 HydrophobicContact CD2-CD1 3.6Å; L284-I331 HydrophobicContact CD1-CD1 3.32Å; L284-I331 HydrophobicContact CD1-CG1 3.52Å; L284-I331 HydrophobicContact CD1-CG2 4.33Å; L284-V562 WeakPolarHBondContact O-CA 3.39Å; L284-C563 PolarHBondContact N-O 2.89Å; L284-C563 PolarHBondContact O-N 3.41Å; L284-L565 HydrophobicContact CD1-CB 3.88Å; L284-L565 HydrophobicContact CD1-CD2 4.33Å
285V97.8Very high88.2Confident0 Ų031 Ų310%017%0.171CC..EExtended strand (participates in β ladder)trans-128.8114.7175-168.20000109.5L283 V299 E300 W309 I525 M553 R557 A560 G561 V562L283-V285 HydrophobicContact CG-CG2 4.48Å; V285-V299 WeakPolarHBondContact O-CA 3.22Å; V285-E300 PolarHBondContact N-O 3.31Å; V285-E300 PolarHBondContact O-N 3.25Å; V285-W309 HydrophobicContact CG2-CH2 4.35Å; V285-W309 HydrophobicContact CG2-CZ3 4.42Å; V285-I525 HydrophobicContact CG1-CG2 4.21Å; V285-I525 HydrophobicContact CG2-CG2 3.65Å; V285-M553 HydrophobicContact CB-SD 3.82Å; V285-M553 HydrophobicContact CG1-SD 3.66Å; V285-M553 HydrophobicContact CG2-SD 3.73Å; V285-R557 VanDerWaalsContact CB-NH2 3.3Å; V285-R557 PolarHBondContact O-NH1 3.28Å; V285-R557 PolarHBondContact O-NH2 2.75Å; V285-A560 HydrophobicContact CG1-CB 3.83Å; V285-G561 WeakPolarHBondContact CA-O 3.38Å; V285-V562 HydrophobicContact CB-CG1 4.48Å; V285-V562 HydrophobicContact CG1-CG1 4.04Å; V285-V562 HydrophobicContact CG2-CG1 4.2Å
286V97.6Very high89.2Confident0 Ų030 Ų300%016%0.161CC..EExtended strand (participates in β ladder)trans-114.6126.5-165.9-179.50000111.4V299 I315 V333 A560 G561V286-V299 HydrophobicContact CG1-CG2 4.18Å; V286-V299 HydrophobicContact CG2-CG1 4.07Å; V286-V299 HydrophobicContact CG2-CG2 4.48Å; V286-I315 HydrophobicContact CG1-CD1 4.28Å; V286-I315 HydrophobicContact CG1-CG2 4.03Å; V286-V333 HydrophobicContact CG1-CG1 4.09Å; V286-V333 HydrophobicContact CG1-CG2 3.66Å; V286-A560 WeakPolarHBondContact O-CA 3.47Å; V286-G561 PolarHBondContact N-O 3.25Å; V286-G561 PolarHBondContact O-N 2.9Å
287G97.7Very high89.8Confident0 Ų031 Ų310%017%0.168CC..  trans59.9-144.8172.400000112.3I296 V298 R557G287-I296 VanDerWaalsContact C-CG1 3.46Å; G287-I296 WeakPolarHBondContact CA-O 3.19Å; G287-I296 WeakPolarHBondContact O-CD1 3.41Å; G287-I296 WeakPolarHBondContact O-CG1 3.49Å; G287-V298 PolarHBondContact N-O 3.06Å; G287-R557 VanDerWaalsContact O-CD 3.23Å; G287-R557 WeakPolarHBondContact O-CD 3.33Å; G287-R557 PolarHBondContact O-NH1 3.48Å
288G97.8Very high91.1Very high0 Ų031 Ų310%017%0.169CC..  trans112.5-162.4-179.600000113.1P295 I296 R319 C558G288-P295 CarbonylContact O-C 3.54Å; G288-P295 VanDerWaalsContact O-CA 3.31Å; G288-P295 WeakPolarHBondContact O-CA 3.3Å; G288-I296 PolarHBondContact O-N 2.89Å; G288-R319 PolarHBondContact N-O 3.25Å; G288-C558 CarbonylContact C-O 3.54Å; G288-C558 WeakPolarHBondContact CA-O 3.31Å
289F97.8Very high92.7Very high23 Ų2330.9 Ų30.910%0.10117%0.168CC..EExtended strand (participates in β ladder)trans-119.2116.3177.4-175-104.1000109.4Q293 S294 R320 R557 C558F289-Q293 WeakPolarHBondContact CE2-O 3.14Å; F289-Q293 HydrophobicContact CZ-CB 3.96Å; F289-Q293 WeakPolarHBondContact CZ-O 3.47Å; F289-Q293 VanDerWaalsContact CZ-OE1 3.25Å; F289-S294 VanDerWaalsContact CD2-C 3.45Å; F289-S294 VanDerWaalsContact CE2-N 3.33Å; F289-R320 HydrophobicContact CB-CB 4Å; F289-R557 VanDerWaalsContact O-CA 3.22Å; F289-R557 WeakPolarHBondContact O-CA 3.2Å; F289-C558 PolarHBondContact N-O 3.36Å; F289-C558 PolarHBondContact O-N 3.04Å; F289-C558 VanDerWaalsContact O-N 3.16Å
290G96.2Very high94.3Very high3 Ų329.9 Ų29.93%0.03116%0.159CC..EExtended strand (participates in β ladder)trans-100.7178-170.300000114.4Q292 Q293 S294G290-Q292 PolarHBondContact O-N 2.9Å; G290-Q293 PolarHBondContact O-N 2.84Å; G290-S294 PolarHBondContact N-O 2.8Å; G290-S294 VanDerWaalsContact N-O 3.07Å
291S92.4Very high95.2Very high64 Ų6429.1 Ų29.145%0.44815%0.153SC..THydrogen-bonded Turntrans-59.4-20-175.2-44.60000115.2Q293 Q556S291-Q293 PolarHBondContact O-N 3.45Å; S291-Q556 PolarHBondContact OG-OE1 3.41Å
292Q91.8Very high95.7Very high169 Ų16928.9 Ų28.979%0.7915%0.152SC*.THydrogen-bonded Turntrans-78.110.5172.8-59.2-58.9-24.400113.5G290 S294G290-Q292 PolarHBondContact O-N 2.9Å; Q292-S294 PolarHBondContact O-N 2.82Å
293Q92.3Very high95.6Very high139 Ų13930.4 Ų30.465%0.6516%0.16SC*.THydrogen-bonded Turntrans57.136.4-178.8-59.5-69.5-23.800112.4F289 G290 S291F289-Q293 WeakPolarHBondContact CE2-O 3.14Å; F289-Q293 HydrophobicContact CZ-CB 3.96Å; F289-Q293 WeakPolarHBondContact CZ-O 3.47Å; F289-Q293 VanDerWaalsContact CZ-OE1 3.25Å; G290-Q293 PolarHBondContact O-N 2.84Å; S291-Q293 PolarHBondContact O-N 3.45Å
294S95.9Very high95.2Very high43 Ų4331.3 Ų31.330%0.30117%0.166SC..EExtended strand (participates in β ladder)trans-138.6154.8179.769.30000111.6F289 G290 Q292F289-S294 VanDerWaalsContact CD2-C 3.45Å; F289-S294 VanDerWaalsContact CE2-N 3.33Å; G290-S294 PolarHBondContact N-O 2.8Å; G290-S294 VanDerWaalsContact N-O 3.07Å; Q292-S294 PolarHBondContact O-N 2.82Å
295P97.6Very high94.5Very high16 Ų1634.8 Ų34.810%0.10418%0.181CC..EExtended strand (participates in β ladder)trans-53.6150.5165.3-24.835.5000111.6G288 K318 R320G288-P295 CarbonylContact O-C 3.54Å; G288-P295 VanDerWaalsContact O-CA 3.31Å; G288-P295 WeakPolarHBondContact O-CA 3.3Å; P295-K318 HydrophobicContact CB-CB 3.99Å; P295-K318 WeakPolarHBondContact O-CD 3.49Å; P295-R320 HydrophobicContact CB-CB 4.46Å; P295-R320 HydrophobicContact CG-CG 4.3Å
296I97.4Very high94Very high20 Ų2038.4 Ų38.410%0.10320%0.203CC..BIsolated β-bridgetrans-126.8163.3177.667.8175000111.5G287 G288 V298 K318 R319 T555 R557G287-I296 VanDerWaalsContact C-CG1 3.46Å; G287-I296 WeakPolarHBondContact CA-O 3.19Å; G287-I296 WeakPolarHBondContact O-CD1 3.41Å; G287-I296 WeakPolarHBondContact O-CG1 3.49Å; G288-I296 PolarHBondContact O-N 2.89Å; I296-V298 HydrophobicContact CD1-CB 4.33Å; I296-K318 WeakPolarHBondContact O-CA 3.41Å; I296-R319 PolarHBondContact O-N 3.03Å; I296-T555 HydrophobicContact CD1-CG2 3.85Å; I296-R557 HydrophobicContact CD1-CB 4.29Å
297D96.9Very high93.5Very high43 Ų4345 Ų4523%0.2323%0.234CC..  trans-116.62.8-177.643.78.5000112.8S314 I315 K318D297-S314 VanDerWaalsContact O-CA 3.31Å; D297-S314 WeakPolarHBondContact O-CA 3.24Å; D297-S314 WeakPolarHBondContact O-CB 3.26Å; D297-I315 HydrophobicContact CB-CG1 3.81Å; D297-I315 WeakPolarHBondContact CB-O 3.4Å; D297-I315 WeakPolarHBondContact O-CG1 3.38Å; D297-I315 PolarHBondContact O-N 2.94Å; D297-I315 VanDerWaalsContact O-N 3.07Å; D297-K318 HydrophobicContact CB-CG 3.75Å; D297-K318 WeakPolarHBondContact OD2-CE 3.32Å; D297-K318 VanDerWaalsContact OD2-CG 3.32Å; D297-K318 WeakPolarHBondContact OD2-CG 3.31Å
298V97Very high93.3Very high33 Ų3351.3 Ų51.320%0.226%0.263CS..  trans-70.1134.9-176.5-179.40000111G287 I296 E300 F311 R557G287-V298 PolarHBondContact N-O 3.06Å; I296-V298 HydrophobicContact CD1-CB 4.33Å; V298-E300 HydrophobicContact CG1-CG 3.93Å; V298-F311 HydrophobicContact CG1-CD1 3.84Å; V298-F311 HydrophobicContact CG1-CE1 3.74Å; V298-R557 PolarHBondContact O-NH1 2.77Å
299V96.6Very high93.2Very high1 Ų154.3 Ų54.31%0.00628%0.275CS..EExtended strand (participates in β ladder)trans-118120171.8-174.30000108.4V285 V286 L312 I315 W359V285-V299 WeakPolarHBondContact O-CA 3.22Å; V286-V299 HydrophobicContact CG1-CG2 4.18Å; V286-V299 HydrophobicContact CG2-CG1 4.07Å; V286-V299 HydrophobicContact CG2-CG2 4.48Å; V299-L312 HydrophobicContact CB-CB 4.04Å; V299-L312 HydrophobicContact CG1-CB 3.82Å; V299-L312 HydrophobicContact CG1-CD1 4.08Å; V299-L312 HydrophobicContact CG1-CG 4.3Å; V299-L312 PolarHBondContact O-N 3.46Å; V299-I315 HydrophobicContact CG2-CG2 4.01Å; V299-W359 HydrophobicContact CG2-CZ2 4.08Å
300E96.8Very high93Very high2 Ų255.4 Ų55.41%0.00929%0.285CS..EExtended strand (participates in β ladder)trans-112.5135.2177.7-65.6177.7-103.100109.2L284 V285 V298 W309 F311 G554 T555 R557L284-E300 WeakPolarHBondContact CA-O 3.24Å; V285-E300 PolarHBondContact N-O 3.31Å; V285-E300 PolarHBondContact O-N 3.25Å; V298-E300 HydrophobicContact CG1-CG 3.93Å; E300-W309 HydrophobicContact CB-CE3 3.79Å; E300-W309 HydrophobicContact CB-CZ3 3.79Å; E300-F311 HydrophobicContact CG-CD1 3.88Å; E300-F311 HydrophobicContact CG-CE1 3.64Å; E300-G554 WeakPolarHBondContact OE2-CA 3.28Å; E300-G554 PolarHBondContact OE2-N 2.83Å; E300-T555 WeakPolarHBondContact OE1-CB 3.37Å; E300-T555 PolarHBondContact OE1-N 3.14Å; E300-T555 PolarHBondContact OE1-OG1 2.79Å; E300-R557 IonicContact OE1-CZ 3.44Å; E300-R557 IonicContact OE1-NE 2.82Å; E300-R557 IonicContact OE1-NH2 2.84Å; E300-R557 PolarHBondContact OE1-NH2 3.25Å
301K94.2Very high92.9Very high35 Ų3561.8 Ų61.815%0.15231%0.312CS..EExtended strand (participates in β ladder)trans-112130.6176.7179-179.872.6162.90109.3V282 L283 L284 W309 S310 L312 Y351 E567V282-K301 HydrophobicContact CB-CD 4.07Å; V282-K301 HydrophobicContact CB-CG 3.9Å; V282-K301 HydrophobicContact CG1-CD 4.18Å; V282-K301 HydrophobicContact CG1-CG 4.37Å; V282-K301 HydrophobicContact CG2-CD 3.98Å; V282-K301 HydrophobicContact CG2-CG 4.1Å; L283-K301 CarbonylContact O-C 3.6Å; L283-K301 WeakPolarHBondContact O-CA 3.48Å; L284-K301 HydrophobicContact CD2-CB 3.7Å; L284-K301 HydrophobicContact CD2-CD 4.4Å; L284-K301 HydrophobicContact CD2-CG 3.8Å; K301-W309 CarbonylContact O-C 3.49Å; K301-W309 VanDerWaalsContact O-CA 3.32Å; K301-W309 WeakPolarHBondContact O-CA 3.45Å; K301-S310 WeakPolarHBondContact CE-OG 3.07Å; K301-S310 PolarHBondContact N-O 3.06Å; K301-S310 PolarHBondContact O-N 3.21Å; K301-L312 HydrophobicContact CB-CD1 4.4Å; K301-L312 HydrophobicContact CB-CD2 4.47Å; K301-L312 HydrophobicContact CB-CG 4.12Å; K301-L312 HydrophobicContact CD-CD2 4.32Å; K301-Y351 WeakPolarHBondContact CD-OH 3.18Å; K301-Y351 PolarHBondContact NZ-OH 2.88Å; K301-E567 IonicContact NZ-OE1 2.92Å
302Y94.2Very high92.8Very high14 Ų1459.4 Ų59.46%0.05530%0.295CS..EExtended strand (participates in β ladder)trans-112122.9170.5172.5-108.8000110V282 L283 P304 Q307 W309 L518 T551V282-Y302 WeakPolarHBondContact CA-O 3.35Å; L283-Y302 HydrophobicContact CB-CD1 4.29Å; L283-Y302 HydrophobicContact CD2-CD1 4.48Å; L283-Y302 PolarHBondContact N-O 2.96Å; L283-Y302 PolarHBondContact O-N 2.87Å; Y302-P304 HydrophobicContact CE1-CB 3.95Å; Y302-P304 WeakPolarHBondContact O-CD 3.28Å; Y302-Q307 HydrophobicContact CE2-CB 4.44Å; Y302-W309 AromaticContact CD2-CD1 4Å; Y302-W309 HydrophobicContact CD2-CD2 4.15Å; Y302-W309 AromaticContact CD2-CE2 3.68Å; Y302-W309 HydrophobicContact CD2-CG 4.35Å; Y302-W309 HydrophobicContact CD2-CZ2 4.02Å; Y302-W309 AromaticContact CD2-NE1 3.59Å; Y302-W309 HydrophobicContact CG-CD2 4.47Å; Y302-W309 HydrophobicContact CG-CH2 4.31Å; Y302-W309 AromaticContact CG-CZ2 3.93Å; Y302-W309 HydrophobicContact CG-CZ2 3.93Å; Y302-L518 HydrophobicContact CD1-CD2 4.46Å; Y302-T551 HydrophobicContact CD2-CG2 4.31Å; Y302-T551 HydrophobicContact CE2-CG2 4.07Å
303D89.9Confident92.9Very high34 Ų3453.2 Ų53.218%0.18227%0.269CS..EExtended strand (participates in β ladder)trans-96.6112.2171.9172.212.3000109.7V282 K305 T306 Q307 E308V282-D303 HydrophobicContact CG1-CB 4.32Å; D303-K305 VanDerWaalsContact C-N 3.25Å; D303-K305 PolarHBondContact O-N 3.44Å; D303-K305 WeakPolarHBondContact OD1-CB 3.28Å; D303-K305 PolarHBondContact OD1-N 3.27Å; D303-T306 WeakPolarHBondContact CB-OG1 3.33Å; D303-T306 VanDerWaalsContact CG-OG1 3.22Å; D303-T306 WeakPolarHBondContact OD2-CB 3.5Å; D303-T306 VanDerWaalsContact OD2-CG2 3.26Å; D303-T306 WeakPolarHBondContact OD2-CG2 3.32Å; D303-T306 PolarHBondContact OD2-N 3.08Å; D303-T306 PolarHBondContact OD2-OG1 2.73Å; D303-Q307 WeakPolarHBondContact O-CA 3.22Å; D303-Q307 PolarHBondContact O-N 3.12Å; D303-E308 PolarHBondContact N-O 3.21Å; D303-E308 PolarHBondContact O-N 3.29Å
304P85.5Confident93Very high18 Ų1849.8 Ų49.812%0.11726%0.261CS..THydrogen-bonded Turntrans-69.3-13.8177.830.3-37.6000114.6E281 Y302 L518E281-P304 WeakPolarHBondContact O-CD 3.16Å; E281-P304 WeakPolarHBondContact O-CG 3.42Å; Y302-P304 HydrophobicContact CE1-CB 3.95Å; Y302-P304 WeakPolarHBondContact O-CD 3.28Å; P304-L518 HydrophobicContact CB-CD2 4.09Å; P304-L518 HydrophobicContact CG-CD1 4.28Å; P304-L518 HydrophobicContact CG-CD2 3.95Å; P304-L518 HydrophobicContact CG-CG 4.36Å
305K81.3Confident93Very high73 Ų7347.9 Ų47.932%0.31725%0.247SC..THydrogen-bonded Turntrans-74.9-52.4173.6-61.8-165.1178.3-172.50110.5E187 N280 D303E187-K305 IonicContact OE2-NZ 2.75Å; E187-K305 PolarHBondContact OE2-NZ 2.78Å; N280-K305 WeakPolarHBondContact OD1-CE 3.49Å; N280-K305 PolarHBondContact OD1-NZ 2.77Å; D303-K305 VanDerWaalsContact C-N 3.25Å; D303-K305 PolarHBondContact O-N 3.44Å; D303-K305 WeakPolarHBondContact OD1-CB 3.28Å; D303-K305 PolarHBondContact OD1-N 3.27Å
306T86.4Confident92.9Very high76 Ų7651.4 Ų51.447%0.46627%0.268SS..THydrogen-bonded Turntrans-83.8-18.6-179.955.40000113.1D303 E308D303-T306 WeakPolarHBondContact CB-OG1 3.33Å; D303-T306 VanDerWaalsContact CG-OG1 3.22Å; D303-T306 WeakPolarHBondContact OD2-CB 3.5Å; D303-T306 VanDerWaalsContact OD2-CG2 3.26Å; D303-T306 WeakPolarHBondContact OD2-CG2 3.32Å; D303-T306 PolarHBondContact OD2-N 3.08Å; D303-T306 PolarHBondContact OD2-OG1 2.73Å; T306-E308 PolarHBondContact O-N 2.78Å; T306-E308 PolarHBondContact OG1-N 3.11Å
307Q88.5Confident92.7Very high140 Ų14055.1 Ų55.165%0.65428%0.281SS*.THydrogen-bonded Turntrans60.824.6-170.6-54.9177.232.400113.1Y302 D303Y302-Q307 HydrophobicContact CE2-CB 4.44Å; D303-Q307 WeakPolarHBondContact O-CA 3.22Å; D303-Q307 PolarHBondContact O-N 3.12Å
308E93Very high92.7Very high132 Ų13258 Ų5862%0.61729%0.291SS*.EExtended strand (participates in β ladder)trans-102.4149.7-177.7-65.9-172.2168.900112.2D303 T306D303-E308 PolarHBondContact N-O 3.21Å; D303-E308 PolarHBondContact O-N 3.29Å; T306-E308 PolarHBondContact O-N 2.78Å; T306-E308 PolarHBondContact OG1-N 3.11Å
309W95.3Very high92.6Very high62 Ų6256.5 Ų56.524%0.23528%0.282CS..EExtended strand (participates in β ladder)trans-101.7136.4170.7-74.791.1000110L283 V285 E300 K301 Y302 I537 T551 S552 M553L283-W309 HydrophobicContact CD2-CH2 4.47Å; V285-W309 HydrophobicContact CG2-CH2 4.35Å; V285-W309 HydrophobicContact CG2-CZ3 4.42Å; E300-W309 HydrophobicContact CB-CE3 3.79Å; E300-W309 HydrophobicContact CB-CZ3 3.79Å; K301-W309 CarbonylContact O-C 3.49Å; K301-W309 VanDerWaalsContact O-CA 3.32Å; K301-W309 WeakPolarHBondContact O-CA 3.45Å; Y302-W309 AromaticContact CD2-CD1 4Å; Y302-W309 HydrophobicContact CD2-CD2 4.15Å; Y302-W309 AromaticContact CD2-CE2 3.68Å; Y302-W309 HydrophobicContact CD2-CG 4.35Å; Y302-W309 HydrophobicContact CD2-CZ2 4.02Å; Y302-W309 AromaticContact CD2-NE1 3.59Å; Y302-W309 HydrophobicContact CG-CD2 4.47Å; Y302-W309 HydrophobicContact CG-CH2 4.31Å; Y302-W309 AromaticContact CG-CZ2 3.93Å; Y302-W309 HydrophobicContact CG-CZ2 3.93Å; W309-I537 HydrophobicContact CH2-CD1 3.46Å; W309-I537 VanDerWaalsContact CH2-CD1 3.46Å; W309-I537 HydrophobicContact CZ2-CD1 3.32Å; W309-I537 HydrophobicContact CZ2-CG1 4.48Å; W309-T551 HydrophobicContact CZ2-CG2 3.73Å; W309-T551 PolarHBondContact NE1-OG1 3.5Å; W309-S552 PolarHBondContact NE1-O 2.8Å; W309-M553 HydrophobicContact CE3-CG 4.47Å; W309-M553 HydrophobicContact CH2-CG 3.45Å; W309-M553 VanDerWaalsContact CH2-CG 3.45Å; W309-M553 HydrophobicContact CH2-SD 4.32Å; W309-M553 HydrophobicContact CZ2-CG 3.78Å; W309-M553 HydrophobicContact CZ3-CG 3.82Å
310S94Very high92.7Very high46 Ų4658.2 Ų58.232%0.32229%0.289SS..EExtended strand (participates in β ladder)trans-133.8159.2173.352.30000110.3K301K301-S310 WeakPolarHBondContact CE-OG 3.07Å; K301-S310 PolarHBondContact N-O 3.06Å; K301-S310 PolarHBondContact O-N 3.21Å
311F93.3Very high92.7Very high137 Ų13760.4 Ų60.460%0.60130%0.297SS*.EExtended strand (participates in β ladder)trans-95.8137.7174.1-67-78.4000109.5V298 E300V298-F311 HydrophobicContact CG1-CD1 3.84Å; V298-F311 HydrophobicContact CG1-CE1 3.74Å; E300-F311 HydrophobicContact CG-CD1 3.88Å; E300-F311 HydrophobicContact CG-CE1 3.64Å
312L91.8Very high92.9Very high15 Ų1559.2 Ų59.28%0.07929%0.293CS..EExtended strand (participates in β ladder)trans-96166165-64.3-173.5000109.9L284 V299 K301 S314 I331 Y351L284-L312 HydrophobicContact CD2-CD1 3.6Å; V299-L312 HydrophobicContact CB-CB 4.04Å; V299-L312 HydrophobicContact CG1-CB 3.82Å; V299-L312 HydrophobicContact CG1-CD1 4.08Å; V299-L312 HydrophobicContact CG1-CG 4.3Å; V299-L312 PolarHBondContact O-N 3.46Å; K301-L312 HydrophobicContact CB-CD1 4.4Å; K301-L312 HydrophobicContact CB-CD2 4.47Å; K301-L312 HydrophobicContact CB-CG 4.12Å; K301-L312 HydrophobicContact CD-CD2 4.32Å; L312-S314 PolarHBondContact O-N 2.91Å; L312-I331 HydrophobicContact CD1-CD1 4.42Å; L312-Y351 HydrophobicContact CD1-CD2 4.31Å; L312-Y351 HydrophobicContact CD1-CE2 3.99Å; L312-Y351 HydrophobicContact CD2-CE2 3.9Å
313P92.3Very high93Very high39 Ų3959 Ų5925%0.25329%0.294SS..PPolyproline II helixtrans-46.6134.1170.7-3239.3000111.3D356 G357 W359P313-D356 HydrophobicContact CG-CB 4.17Å; P313-G357 WeakPolarHBondContact CG-O 3.08Å; P313-W359 PolarHBondContact O-NE1 3.49Å
314S95.1Very high93.4Very high67 Ų6758 Ų5847%0.46929%0.29SS..PPolyproline II helixtrans-68.5142.8180-59.70000110.6D297 L312D297-S314 VanDerWaalsContact O-CA 3.31Å; D297-S314 WeakPolarHBondContact O-CA 3.24Å; D297-S314 WeakPolarHBondContact O-CB 3.26Å; L312-S314 PolarHBondContact O-N 2.91Å
315I96Very high94Very high3 Ų357.7 Ų57.72%0.01529%0.287CS..PPolyproline II helixtrans-61.3148.2173.452.2169.8000109.9V286 D297 V299 R317 R319 V333 W359V286-I315 HydrophobicContact CG1-CD1 4.28Å; V286-I315 HydrophobicContact CG1-CG2 4.03Å; D297-I315 HydrophobicContact CB-CG1 3.81Å; D297-I315 WeakPolarHBondContact CB-O 3.4Å; D297-I315 WeakPolarHBondContact O-CG1 3.38Å; D297-I315 PolarHBondContact O-N 2.94Å; D297-I315 VanDerWaalsContact O-N 3.07Å; V299-I315 HydrophobicContact CG2-CG2 4.01Å; I315-R317 WeakPolarHBondContact CD1-O 3.38Å; I315-R317 VanDerWaalsContact CG1-O 3.31Å; I315-R317 WeakPolarHBondContact CG1-O 3.05Å; I315-R317 PolarHBondContact O-N 2.93Å; I315-R317 VanDerWaalsContact O-N 3.09Å; I315-R319 HydrophobicContact CD1-CB 4.12Å; I315-R319 HydrophobicContact CD1-CG 4.08Å; I315-V333 HydrophobicContact CD1-CG1 4.33Å; I315-V333 HydrophobicContact CG2-CG1 4.34Å; I315-V333 HydrophobicContact CG2-CG2 4.1Å; I315-W359 HydrophobicContact CG2-CD2 3.84Å; I315-W359 HydrophobicContact CG2-CE3 4.18Å; I315-W359 HydrophobicContact CG2-CG 4.44Å; I315-W359 HydrophobicContact CG2-CH2 4.03Å; I315-W359 HydrophobicContact CG2-CZ2 3.66Å; I315-W359 HydrophobicContact CG2-CZ3 4.28Å
316T94.6Very high94.7Very high90 Ų9055.5 Ų55.555%0.55228%0.281SS*.SBendtrans-65.5-20.9-170.864.20000113.5E347 W359T316-E347 VanDerWaalsContact CB-OE2 3.25Å; T316-E347 WeakPolarHBondContact CB-OE2 3.37Å; T316-E347 VanDerWaalsContact CG2-OE2 3.27Å; T316-E347 WeakPolarHBondContact CG2-OE2 3.26Å; T316-E347 PolarHBondContact N-OE2 3.02Å; T316-E347 PolarHBondContact OG1-OE1 3.19Å; T316-E347 VanDerWaalsContact OG1-OE1 3.07Å; T316-E347 PolarHBondContact OG1-OE2 2.95Å; T316-W359 HydrophobicContact CG2-CB 4.06Å
317R93.2Very high95Very high98 Ų9852.4 Ų52.437%0.3726%0.262SS..SBendtrans-131.4139.6176.5-64.4178.471.3176.25.4110.3I315 R319 D338I315-R317 WeakPolarHBondContact CD1-O 3.38Å; I315-R317 VanDerWaalsContact CG1-O 3.31Å; I315-R317 WeakPolarHBondContact CG1-O 3.05Å; I315-R317 PolarHBondContact O-N 2.93Å; I315-R317 VanDerWaalsContact O-N 3.09Å; R317-R319 WeakPolarHBondContact O-CG 3.4Å; R317-R319 PolarHBondContact O-N 2.81Å; R317-D338 IonicContact CZ-OD2 2.68Å; R317-D338 IonicContact NH2-OD2 2.85Å; R317-D338 PolarHBondContact NH2-OD2 3.16Å
318K96.9Very high94.9Very high103 Ų10351 Ų5145%0.44826%0.255SS..  trans-63.4129.9169.3-64.4-178.8175.7-171.20110.2P295 I296 D297 D338P295-K318 HydrophobicContact CB-CB 3.99Å; P295-K318 WeakPolarHBondContact O-CD 3.49Å; I296-K318 WeakPolarHBondContact O-CA 3.41Å; D297-K318 HydrophobicContact CB-CG 3.75Å; D297-K318 WeakPolarHBondContact OD2-CE 3.32Å; D297-K318 VanDerWaalsContact OD2-CG 3.32Å; D297-K318 WeakPolarHBondContact OD2-CG 3.31Å; K318-D338 WeakPolarHBondContact O-CA 3.4Å
319R96.9Very high94.5Very high1 Ų146.7 Ų46.70%0.00424%0.236CC..BIsolated β-bridgetrans-139.7129.5-175.4-63.6172.6-173.4-137.26.7110.5G288 I296 I315 R317 V322 V333 G335 L343 S345 E347G288-R319 PolarHBondContact N-O 3.25Å; I296-R319 PolarHBondContact O-N 3.03Å; I315-R319 HydrophobicContact CD1-CB 4.12Å; I315-R319 HydrophobicContact CD1-CG 4.08Å; R317-R319 WeakPolarHBondContact O-CG 3.4Å; R317-R319 PolarHBondContact O-N 2.81Å; R319-V322 HydrophobicContact CB-CB 4.05Å; R319-V322 HydrophobicContact CB-CG2 4.19Å; R319-V333 PolarHBondContact NH1-O 2.87Å; R319-G335 PolarHBondContact NH1-O 3.25Å; R319-L343 HydrophobicContact CG-CD1 3.98Å; R319-S345 PolarHBondContact NH1-O 3.17Å; R319-S345 PolarHBondContact NH2-OG 3.32Å; R319-E347 IonicContact CZ-OE1 3.36Å; R319-E347 VanDerWaalsContact CZ-OE1 3.23Å; R319-E347 IonicContact NE-OE1 3.08Å; R319-E347 PolarHBondContact NE-OE1 3.26Å; R319-E347 VanDerWaalsContact NH2-CG 3.34Å; R319-E347 IonicContact NH2-OE1 2.77Å; R319-E347 PolarHBondContact NH2-OE1 3.43Å
320R97.4Very high94.3Very high38 Ų3847.8 Ų47.814%0.14324%0.24CC..BIsolated β-bridgetrans-107.5169.2157.275.7179-68.2-179.9-6.2109.7F289 P295 V322 G336 Y337 D559F289-R320 HydrophobicContact CB-CB 4Å; P295-R320 HydrophobicContact CB-CB 4.46Å; P295-R320 HydrophobicContact CG-CG 4.3Å; R320-V322 PolarHBondContact O-N 2.74Å; R320-G336 CarbonylContact O-C 3.59Å; R320-G336 VanDerWaalsContact O-CA 3.24Å; R320-G336 WeakPolarHBondContact O-CA 3.29Å; R320-Y337 HydrophobicContact CG-CD1 4.02Å; R320-Y337 PolarHBondContact N-O 3.32Å; R320-Y337 PolarHBondContact O-N 3.36Å; R320-D559 HydrophobicContact CB-CB 4.13Å; R320-D559 IonicContact CZ-OD2 2.83Å; R320-D559 IonicContact NE-OD2 3.3Å; R320-D559 PolarHBondContact NE-OD2 2.82Å; R320-D559 IonicContact NH2-OD2 3.37Å; R320-D559 PolarHBondContact NH2-OD2 2.76Å
321Y97.7Very high94.4Very high47 Ų4745.6 Ų45.618%0.18423%0.225CC..SBendtrans60.427.7-179.7-54.4-39.5000112.7G336 Y337 L371 D559Y321-G336 WeakPolarHBondContact O-CA 3.38Å; Y321-Y337 HydrophobicContact CD2-CG 4.46Å; Y321-Y337 HydrophobicContact CE2-CD1 4.48Å; Y321-L371 HydrophobicContact CD1-CD1 3.97Å; Y321-L371 HydrophobicContact CD1-CD2 3.4Å; Y321-L371 HydrophobicContact CD1-CG 3.48Å; Y321-L371 VanDerWaalsContact CD1-CG 3.48Å; Y321-L371 HydrophobicContact CD2-CG 4.42Å; Y321-L371 HydrophobicContact CE1-CD1 4.03Å; Y321-L371 HydrophobicContact CE1-CD2 4.06Å; Y321-L371 HydrophobicContact CE1-CG 4.08Å; Y321-L371 HydrophobicContact CG-CD1 4.35Å; Y321-L371 HydrophobicContact CG-CD2 4.01Å; Y321-L371 HydrophobicContact CG-CG 3.68Å; Y321-L371 PolarHBondContact O-N 3.21Å; Y321-D559 HydrophobicContact CD1-CB 3.72Å; Y321-D559 WeakPolarHBondContact CD1-OD1 3.32Å; Y321-D559 HydrophobicContact CE1-CB 4.21Å; Y321-D559 WeakPolarHBondContact CE1-OD1 3.45Å; Y321-D559 VanDerWaalsContact CE1-OD2 3.25Å; Y321-D559 WeakPolarHBondContact CE1-OD2 3.45Å; Y321-D559 PolarHBondContact N-O 3.31Å; Y321-D559 VanDerWaalsContact N-O 3.11Å
322V97.3Very high94.6Very high10 Ų1039.2 Ų39.26%0.06120%0.197CC..  trans-89.5138.5-170.266.40000109.4R319 R320 V333R319-V322 HydrophobicContact CB-CB 4.05Å; R319-V322 HydrophobicContact CB-CG2 4.19Å; R320-V322 PolarHBondContact O-N 2.74Å; V322-V333 HydrophobicContact CG2-CG1 3.45Å; V322-V333 VanDerWaalsContact CG2-CG1 3.45Å
323A97.9Very high94.9Very high11 Ų1138.5 Ų38.59%0.09119%0.193CC..EExtended strand (participates in β ladder)trans-95145.216900000109I334 A374A323-I334 HydrophobicContact CB-CB 4.31Å; A323-I334 PolarHBondContact N-O 2.96Å; A323-I334 VanDerWaalsContact N-O 3.17Å; A323-I334 PolarHBondContact O-N 2.83Å; A323-A374 HydrophobicContact CB-CB 3.68Å
324S97.8Very high95.2Very high12 Ų1236.8 Ų36.88%0.08418%0.182CC..EExtended strand (participates in β ladder)trans-136.4142.7173.1610000110.9Y332 G561 V562S324-Y332 WeakPolarHBondContact CA-O 3.49Å; S324-G561 WeakPolarHBondContact OG-CA 3.44Å; S324-V562 PolarHBondContact OG-N 2.8Å; S324-V562 PolarHBondContact OG-O 2.84Å
325V97.8Very high95.4Very high11 Ų1133.6 Ų33.67%0.06716%0.16CC..EExtended strand (participates in β ladder)trans-138.3151.6173.1-62.40000109.4Y332 I334 A374 T376 I381V325-Y332 PolarHBondContact N-O 2.81Å; V325-Y332 VanDerWaalsContact N-O 3.12Å; V325-Y332 PolarHBondContact O-N 3Å; V325-I334 HydrophobicContact CG2-CD1 3.99Å; V325-A374 HydrophobicContact CG1-CB 3.86Å; V325-T376 HydrophobicContact CB-CG2 4.08Å; V325-T376 HydrophobicContact CG2-CG2 4.12Å; V325-I381 HydrophobicContact CG2-CB 4.49Å; V325-I381 HydrophobicContact CG2-CD1 3.77Å; V325-I381 HydrophobicContact CG2-CG1 3.94Å; V325-I381 HydrophobicContact CG2-CG2 3.79Å
326S95Very high95.4Very high28 Ų2833.5 Ų33.520%0.19616%0.159CC..EExtended strand (participates in β ladder)trans-99.1138.3164.648.90000108.6R330 T376 V564S326-R330 VanDerWaalsContact CA-O 3.3Å; S326-R330 WeakPolarHBondContact CA-O 3.41Å; S326-T376 WeakPolarHBondContact O-CG2 3.39Å; S326-V564 VanDerWaalsContact CB-O 3.3Å; S326-V564 WeakPolarHBondContact CB-O 3.46Å; S326-V564 PolarHBondContact OG-O 3Å
327L93.2Very high95.6Very high11 Ų1131.7 Ų31.76%0.05814%0.142CC..EExtended strand (participates in β ladder)trans-143.4119.9172.5-178.461.7000108D329 R330 Y332 T376 I381 P401L327-D329 PolarHBondContact O-N 2.9Å; L327-R330 PolarHBondContact N-O 2.81Å; L327-R330 WeakPolarHBondContact O-CB 3.39Å; L327-R330 PolarHBondContact O-N 2.91Å; L327-R330 VanDerWaalsContact O-N 3.14Å; L327-Y332 HydrophobicContact CB-CD2 4.38Å; L327-Y332 HydrophobicContact CB-CE2 4.07Å; L327-T376 HydrophobicContact CB-CG2 4.02Å; L327-T376 HydrophobicContact CD1-CG2 4.03Å; L327-T376 HydrophobicContact CG-CG2 4.43Å; L327-I381 HydrophobicContact CD2-CD1 4.37Å; L327-I381 HydrophobicContact CD2-CG1 3.84Å; L327-P401 HydrophobicContact CD2-CG 3.73Å
328H85.8Confident95.8Very high109 Ų10928.7 Ų28.751%0.50513%0.134SC..THydrogen-bonded Turntrans53.1-131.8-167.2-45.8133000110.3R330 D379H328-R330 PolarHBondContact O-N 3.28Å; H328-D379 IonicContact CE1-OD1 3.46Å; H328-D379 PolarHBondContact CE1-OD1 2.75Å; H328-D379 IonicContact NE2-OD1 3.42Å; H328-D379 PolarHBondContact NE2-OD1 3Å
329D85.5Confident95.6Very high43 Ų4325.5 Ų25.523%0.2313%0.13CC..THydrogen-bonded Turntrans-91.324.8-179.6-45.3-42.2000112.1L327 Y351 K568L327-D329 PolarHBondContact O-N 2.9Å; D329-Y351 WeakPolarHBondContact O-CB 2.99Å; D329-Y351 PolarHBondContact O-N 3.3Å; D329-K568 WeakPolarHBondContact OD1-CE 3.41Å; D329-K568 IonicContact OD1-NZ 3.45Å; D329-K568 WeakPolarHBondContact OD2-CD 3.11Å; D329-K568 WeakPolarHBondContact OD2-CE 3.44Å; D329-K568 IonicContact OD2-NZ 2.8Å; D329-K568 PolarHBondContact OD2-NZ 2.74Å
330R91.8Very high95.5Very high85 Ų8536.3 Ų36.332%0.32117%0.171SC..EExtended strand (participates in β ladder)trans-125.5145.2-172.8-67.9173.3175.5-171.4-11.4112.3S326 L327 H328 Y332 L349 D350S326-R330 VanDerWaalsContact CA-O 3.3Å; S326-R330 WeakPolarHBondContact CA-O 3.41Å; L327-R330 PolarHBondContact N-O 2.81Å; L327-R330 WeakPolarHBondContact O-CB 3.39Å; L327-R330 PolarHBondContact O-N 2.91Å; L327-R330 VanDerWaalsContact O-N 3.14Å; H328-R330 PolarHBondContact O-N 3.28Å; R330-Y332 HydrophobicContact CB-CD2 4.27Å; R330-Y332 HydrophobicContact CB-CE2 3.56Å; R330-Y332 WeakPolarHBondContact CD-OH 3.37Å; R330-L349 WeakPolarHBondContact CA-O 3.25Å; R330-D350 WeakPolarHBondContact CG-OD1 3.19Å; R330-D350 IonicContact CZ-OD1 2.77Å; R330-D350 VanDerWaalsContact CZ-OD1 3.25Å; R330-D350 IonicContact NE-OD1 3.34Å; R330-D350 PolarHBondContact NE-OD1 2.95Å; R330-D350 IonicContact NH2-OD1 2.64Å; R330-D350 PolarHBondContact NH2-OD1 2.78Å; R330-D350 VanDerWaalsContact NH2-OD1 3.07Å; R330-D350 IonicContact NH2-OD2 2.74Å
331I95.1Very high95.4Very high0 Ų036.6 Ų36.60%018%0.179CC..EExtended strand (participates in β ladder)trans-111.4126.9174.5-54148.8000108.2L284 L312 C348 L349 Y351 W359 L565L284-I331 HydrophobicContact CD1-CD1 3.32Å; L284-I331 HydrophobicContact CD1-CG1 3.52Å; L284-I331 HydrophobicContact CD1-CG2 4.33Å; L312-I331 HydrophobicContact CD1-CD1 4.42Å; I331-C348 CarbonylContact O-C 3.58Å; I331-C348 VanDerWaalsContact O-CA 3.29Å; I331-C348 WeakPolarHBondContact O-CA 3.5Å; I331-L349 HydrophobicContact CB-CB 4.44Å; I331-L349 HydrophobicContact CD1-CB 4.49Å; I331-L349 HydrophobicContact CD1-CD2 3.95Å; I331-L349 HydrophobicContact CD1-CG 4.47Å; I331-L349 PolarHBondContact N-O 2.83Å; I331-L349 PolarHBondContact O-N 2.83Å; I331-Y351 HydrophobicContact CD1-CD2 4.27Å; I331-W359 HydrophobicContact CB-CH2 4.09Å; I331-W359 HydrophobicContact CG2-CH2 3.8Å; I331-W359 HydrophobicContact CG2-CZ3 4.47Å; I331-L565 HydrophobicContact CD1-CD2 4.15Å; I331-L565 HydrophobicContact CG1-CD1 4.35Å; I331-L565 HydrophobicContact CG1-CD2 4.25Å
332Y97.7Very high95.4Very high2 Ų237.5 Ų37.51%0.00818%0.182CC..EExtended strand (participates in β ladder)trans-111.4132.9178.4-67.3-94.4000110.7S324 V325 L327 R330 V346 E347 C348 I381 Y399S324-Y332 WeakPolarHBondContact CA-O 3.49Å; V325-Y332 PolarHBondContact N-O 2.81Å; V325-Y332 VanDerWaalsContact N-O 3.12Å; V325-Y332 PolarHBondContact O-N 3Å; L327-Y332 HydrophobicContact CB-CD2 4.38Å; L327-Y332 HydrophobicContact CB-CE2 4.07Å; R330-Y332 HydrophobicContact CB-CD2 4.27Å; R330-Y332 HydrophobicContact CB-CE2 3.56Å; R330-Y332 WeakPolarHBondContact CD-OH 3.37Å; Y332-V346 HydrophobicContact CD1-CG1 4.28Å; Y332-E347 CarbonylContact C-O 3.55Å; Y332-E347 WeakPolarHBondContact CA-O 3.49Å; Y332-C348 HydrophobicContact CD1-CB 4.07Å; Y332-C348 HydrophobicContact CE1-CB 3.94Å; Y332-I381 HydrophobicContact CD1-CD1 3.75Å; Y332-I381 HydrophobicContact CD2-CD1 3.45Å; Y332-I381 VanDerWaalsContact CD2-CD1 3.45Å; Y332-I381 HydrophobicContact CE1-CD1 4.1Å; Y332-I381 HydrophobicContact CE2-CD1 3.83Å; Y332-I381 HydrophobicContact CG-CD1 3.39Å; Y332-Y399 HydrophobicContact CD1-CE1 4.4Å; Y332-Y399 HydrophobicContact CE1-CD1 4.4Å; Y332-Y399 AromaticContact CE1-CE1 3.69Å; Y332-Y399 HydrophobicContact CE1-CE1 3.69Å
333V98.1Very high95.5Very high0 Ų037.2 Ų37.20%018%0.18CC..EExtended strand (participates in β ladder)trans-119.6109.3-178.8177.70000108.9V286 I315 R319 V322 V346 E347 W359V286-V333 HydrophobicContact CG1-CG1 4.09Å; V286-V333 HydrophobicContact CG1-CG2 3.66Å; I315-V333 HydrophobicContact CD1-CG1 4.33Å; I315-V333 HydrophobicContact CG2-CG1 4.34Å; I315-V333 HydrophobicContact CG2-CG2 4.1Å; R319-V333 PolarHBondContact NH1-O 2.87Å; V322-V333 HydrophobicContact CG2-CG1 3.45Å; V322-V333 VanDerWaalsContact CG2-CG1 3.45Å; V333-V346 VanDerWaalsContact O-CA 3.31Å; V333-V346 WeakPolarHBondContact O-CA 3.47Å; V333-E347 HydrophobicContact CB-CB 4.38Å; V333-E347 PolarHBondContact N-O 3.21Å; V333-E347 PolarHBondContact O-N 3.02Å; V333-W359 HydrophobicContact CB-CZ3 4.22Å; V333-W359 HydrophobicContact CG2-CE3 4.44Å; V333-W359 HydrophobicContact CG2-CH2 3.44Å; V333-W359 VanDerWaalsContact CG2-CH2 3.44Å; V333-W359 HydrophobicContact CG2-CZ2 4.43Å; V333-W359 HydrophobicContact CG2-CZ3 3.45Å; V333-W359 VanDerWaalsContact CG2-CZ3 3.45Å
334I98.5Very high95.5Very high4 Ų438 Ų382%0.02119%0.185CC..EExtended strand (participates in β ladder)trans-116.1118.9-157.2-59.1165.8000109.9A323 V325 V346 M365 A374 I381 V383 W406A323-I334 HydrophobicContact CB-CB 4.31Å; A323-I334 PolarHBondContact N-O 2.96Å; A323-I334 VanDerWaalsContact N-O 3.17Å; A323-I334 PolarHBondContact O-N 2.83Å; V325-I334 HydrophobicContact CG2-CD1 3.99Å; I334-V346 HydrophobicContact CG1-CG1 3.85Å; I334-V346 HydrophobicContact CG1-CG2 4.47Å; I334-V346 HydrophobicContact CG2-CG2 4.22Å; I334-M365 HydrophobicContact CG2-CE 3.79Å; I334-M365 HydrophobicContact CG2-CG 4.37Å; I334-M365 HydrophobicContact CG2-SD 3.43Å; I334-M365 WeakPolarHBondContact CG2-SD 3.33Å; I334-A374 HydrophobicContact CD1-CB 4.19Å; I334-I381 HydrophobicContact CD1-CG2 3.71Å; I334-V383 HydrophobicContact CD1-CG2 4.15Å; I334-V383 HydrophobicContact CG2-CG1 4.43Å; I334-V383 HydrophobicContact CG2-CG2 3.8Å; I334-W406 HydrophobicContact CG2-CH2 4.48Å
335G98.2Very high95.5Very high0 Ų038.7 Ų38.70%019%0.19CC..  trans62.1-138.117400000113.4R319 L343 S345R319-G335 PolarHBondContact NH1-O 3.25Å; G335-L343 WeakPolarHBondContact CA-O 3.45Å; G335-S345 PolarHBondContact N-O 2.82Å; G335-S345 VanDerWaalsContact N-O 3.11Å
336G98Very high95.5Very high0 Ų038.2 Ų38.20%019%0.187CC..  trans97.7-161.4-17700000113.6R320 Y321 R342 L343 R369R320-G336 CarbonylContact O-C 3.59Å; R320-G336 VanDerWaalsContact O-CA 3.24Å; R320-G336 WeakPolarHBondContact O-CA 3.29Å; Y321-G336 WeakPolarHBondContact O-CA 3.38Å; G336-R342 CarbonylContact O-C 3.52Å; G336-R342 WeakPolarHBondContact O-CA 3.5Å; G336-L343 PolarHBondContact O-N 3.26Å; G336-R369 PolarHBondContact N-O 3.17Å
337Y98.1Very high95.6Very high52 Ų5237 Ų3720%0.20418%0.178CC..BIsolated β-bridgetrans-138126.6-177177.5-114000110.2R320 Y321 G339 R340 S341 R342R320-Y337 HydrophobicContact CG-CD1 4.02Å; R320-Y337 PolarHBondContact N-O 3.32Å; R320-Y337 PolarHBondContact O-N 3.36Å; Y321-Y337 HydrophobicContact CD2-CG 4.46Å; Y321-Y337 HydrophobicContact CE2-CD1 4.48Å; Y337-G339 PolarHBondContact OH-O 2.63Å; Y337-R340 VanDerWaalsContact CE2-C 3.46Å; Y337-S341 VanDerWaalsContact CD2-O 3.24Å; Y337-S341 WeakPolarHBondContact CD2-O 3.23Å; Y337-R342 HydrophobicContact CD2-CG 4.29Å
338D96.3Very high95.8Very high36 Ų3636.4 Ų36.419%0.19318%0.175CC..  trans-94.39.6-17570-13.3000114.4R317 K318 R340 S341 L343R317-D338 IonicContact CZ-OD2 2.68Å; R317-D338 IonicContact NH2-OD2 2.85Å; R317-D338 PolarHBondContact NH2-OD2 3.16Å; K318-D338 WeakPolarHBondContact O-CA 3.4Å; D338-R340 VanDerWaalsContact C-N 3.33Å; D338-R340 WeakPolarHBondContact OD1-CA 3.24Å; D338-R340 WeakPolarHBondContact OD1-CB 3.16Å; D338-R340 PolarHBondContact OD1-N 3.04Å; D338-S341 PolarHBondContact N-O 3.11Å; D338-S341 PolarHBondContact OD1-N 3.11Å; D338-S341 VanDerWaalsContact OD1-O 3.09Å; D338-L343 HydrophobicContact CB-CD1 4.28Å; D338-L343 HydrophobicContact CB-CD2 4.44Å
339G94.2Very high96.1Very high36 Ų3631.3 Ų31.337%0.37115%0.152SC..SBendtrans89.9-6.2-172.200000113.8Y337Y337-G339 PolarHBondContact OH-O 2.63Å
340R94.5Very high96.3Very high227 Ų22732 Ų3286%0.85716%0.155SC*.SBendtrans-124.8-48175.4-64.5-177.1179.4-178.70.8112.5Y337 D338Y337-R340 VanDerWaalsContact CE2-C 3.46Å; D338-R340 VanDerWaalsContact C-N 3.33Å; D338-R340 WeakPolarHBondContact OD1-CA 3.24Å; D338-R340 WeakPolarHBondContact OD1-CB 3.16Å; D338-R340 PolarHBondContact OD1-N 3.04Å
341S95.8Very high95.8Very high44 Ų4429.2 Ų29.231%0.30815%0.145SC..SBendtrans-143151.9-173.965.40000112.1Y337 D338Y337-S341 VanDerWaalsContact CD2-O 3.24Å; Y337-S341 WeakPolarHBondContact CD2-O 3.23Å; D338-S341 PolarHBondContact N-O 3.11Å; D338-S341 PolarHBondContact OD1-N 3.11Å; D338-S341 VanDerWaalsContact OD1-O 3.09Å
342R97.4Very high94.7Very high67 Ų6732.8 Ų32.825%0.25317%0.167SC..BIsolated β-bridgetrans-73.6144.6168.8-72.175.3170.1170.22.3108.5G336 Y337 R368 F387G336-R342 CarbonylContact O-C 3.52Å; G336-R342 WeakPolarHBondContact O-CA 3.5Å; Y337-R342 HydrophobicContact CD2-CG 4.29Å; R342-R368 HydrophobicContact CB-CB 4.19Å; R342-R368 WeakPolarHBondContact O-CD 3.29Å; R342-F387 WeakPolarHBondContact CG-O 3.28Å
343L98Very high92.9Very high4 Ų436 Ų362%0.02119%0.193CC..  trans-107.9144.6-168.7-54.8179.7000110.7R319 G335 G336 D338 R368 R369R319-L343 HydrophobicContact CG-CD1 3.98Å; G335-L343 WeakPolarHBondContact CA-O 3.45Å; G336-L343 PolarHBondContact O-N 3.26Å; D338-L343 HydrophobicContact CB-CD1 4.28Å; D338-L343 HydrophobicContact CB-CD2 4.44Å; L343-R368 WeakPolarHBondContact O-CA 3.38Å; L343-R369 PolarHBondContact O-N 3.39Å
344S98Very high91Very high28 Ų2843.2 Ų43.220%0.19623%0.232CC..  trans-102.4-6.5160.754.30000112.1P364 M365S344-P364 CarbonylContact O-C 3.57Å; S344-P364 WeakPolarHBondContact O-CA 3.46Å; S344-P364 WeakPolarHBondContact O-CB 3.43Å; S344-M365 WeakPolarHBondContact CB-O 3.45Å; S344-M365 PolarHBondContact O-N 3.03Å
345S98.2Very high89.4Confident26 Ų2650.1 Ų50.118%0.18226%0.264CS..  trans-67.4141.5-176.853.50000111.9R319 G335R319-S345 PolarHBondContact NH1-O 3.17Å; R319-S345 PolarHBondContact NH2-OG 3.32Å; G335-S345 PolarHBondContact N-O 2.82Å; G335-S345 VanDerWaalsContact N-O 3.11Å
346V98.4Very high88.1Confident1 Ų156.5 Ų56.51%0.00630%0.298CS..EExtended strand (participates in β ladder)trans-123.9130.3178-174.80000108.1Y332 V333 I334 S361 V362 M365 W406Y332-V346 HydrophobicContact CD1-CG1 4.28Å; V333-V346 VanDerWaalsContact O-CA 3.31Å; V333-V346 WeakPolarHBondContact O-CA 3.47Å; I334-V346 HydrophobicContact CG1-CG1 3.85Å; I334-V346 HydrophobicContact CG1-CG2 4.47Å; I334-V346 HydrophobicContact CG2-CG2 4.22Å; V346-S361 WeakPolarHBondContact O-CA 3.28Å; V346-V362 HydrophobicContact CB-CG2 3.64Å; V346-V362 HydrophobicContact CG1-CG2 3.53Å; V346-V362 PolarHBondContact O-N 2.98Å; V346-V362 VanDerWaalsContact O-N 3.1Å; V346-M365 HydrophobicContact CG2-CG 4.13Å; V346-W406 HydrophobicContact CG2-CZ2 3.8Å
347E97.3Very high87.2Confident1 Ų157.3 Ų57.31%0.00531%0.307CS..EExtended strand (participates in β ladder)trans-109.6144174-71.1173.6-11400109.2T316 R319 Y332 V333 W359 Y360T316-E347 VanDerWaalsContact CB-OE2 3.25Å; T316-E347 WeakPolarHBondContact CB-OE2 3.37Å; T316-E347 VanDerWaalsContact CG2-OE2 3.27Å; T316-E347 WeakPolarHBondContact CG2-OE2 3.26Å; T316-E347 PolarHBondContact N-OE2 3.02Å; T316-E347 PolarHBondContact OG1-OE1 3.19Å; T316-E347 VanDerWaalsContact OG1-OE1 3.07Å; T316-E347 PolarHBondContact OG1-OE2 2.95Å; R319-E347 IonicContact CZ-OE1 3.36Å; R319-E347 VanDerWaalsContact CZ-OE1 3.23Å; R319-E347 IonicContact NE-OE1 3.08Å; R319-E347 PolarHBondContact NE-OE1 3.26Å; R319-E347 VanDerWaalsContact NH2-CG 3.34Å; R319-E347 IonicContact NH2-OE1 2.77Å; R319-E347 PolarHBondContact NH2-OE1 3.43Å; Y332-E347 CarbonylContact C-O 3.55Å; Y332-E347 WeakPolarHBondContact CA-O 3.49Å; V333-E347 HydrophobicContact CB-CB 4.38Å; V333-E347 PolarHBondContact N-O 3.21Å; V333-E347 PolarHBondContact O-N 3.02Å; E347-W359 HydrophobicContact CB-CE3 3.87Å; E347-W359 HydrophobicContact CB-CZ3 4.46Å; E347-Y360 CarbonylContact C-O 3.46Å; E347-Y360 VanDerWaalsContact CA-O 3.29Å; E347-Y360 WeakPolarHBondContact CA-O 3.45Å
348C96.2Very high86.8Confident0 Ų060.5 Ų60.50%033%0.332CS..EExtended strand (participates in β ladder)trans-123.6142.5177.9-175.70000109.3I331 Y332 W359 Y360 V362I331-C348 CarbonylContact O-C 3.58Å; I331-C348 VanDerWaalsContact O-CA 3.29Å; I331-C348 WeakPolarHBondContact O-CA 3.5Å; Y332-C348 HydrophobicContact CD1-CB 4.07Å; Y332-C348 HydrophobicContact CE1-CB 3.94Å; C348-W359 WeakPolarHBondContact O-CA 3.34Å; C348-Y360 HydrophobicContact CB-CD2 4.25Å; C348-Y360 HydrophobicContact CB-CE1 4.3Å; C348-Y360 HydrophobicContact CB-CE2 3.75Å; C348-Y360 PolarHBondContact N-O 3.12Å; C348-Y360 WeakPolarHBondContact O-CD1 3.27Å; C348-Y360 PolarHBondContact O-N 3.16Å; C348-Y360 PolarHBondContact SG-OH 3.42Å; C348-V362 HydrophobicContact CB-CG1 3.66Å
349L93.7Very high86.7Confident2 Ų259.5 Ų59.51%0.0133%0.325CS..EExtended strand (participates in β ladder)trans-122.5119169.6178.264.2000107.8R330 I331 Y351 G357 W359R330-L349 WeakPolarHBondContact CA-O 3.25Å; I331-L349 HydrophobicContact CB-CB 4.44Å; I331-L349 HydrophobicContact CD1-CB 4.49Å; I331-L349 HydrophobicContact CD1-CD2 3.95Å; I331-L349 HydrophobicContact CD1-CG 4.47Å; I331-L349 PolarHBondContact N-O 2.83Å; I331-L349 PolarHBondContact O-N 2.83Å; L349-Y351 PolarHBondContact O-N 2.81Å; L349-G357 VanDerWaalsContact CD1-O 3.31Å; L349-G357 WeakPolarHBondContact CD1-O 3.44Å; L349-W359 HydrophobicContact CB-CD2 3.8Å; L349-W359 HydrophobicContact CB-CE3 3.62Å; L349-W359 HydrophobicContact CB-CH2 3.72Å; L349-W359 HydrophobicContact CB-CZ2 3.9Å; L349-W359 HydrophobicContact CB-CZ3 3.57Å; L349-W359 HydrophobicContact CD2-CH2 4.29Å; L349-W359 HydrophobicContact CD2-CZ2 3.75Å; L349-W359 HydrophobicContact CG-CZ2 4.44Å
350D89Confident86.8Confident58 Ų5861.6 Ų61.631%0.3132%0.322SS..EExtended strand (participates in β ladder)trans-72.5115.7164.9-73.9-59.5000107.7R330 Y360R330-D350 WeakPolarHBondContact CG-OD1 3.19Å; R330-D350 IonicContact CZ-OD1 2.77Å; R330-D350 VanDerWaalsContact CZ-OD1 3.25Å; R330-D350 IonicContact NE-OD1 3.34Å; R330-D350 PolarHBondContact NE-OD1 2.95Å; R330-D350 IonicContact NH2-OD1 2.64Å; R330-D350 PolarHBondContact NH2-OD1 2.78Å; R330-D350 VanDerWaalsContact NH2-OD1 3.07Å; R330-D350 IonicContact NH2-OD2 2.74Å; D350-Y360 PolarHBondContact OD1-OH 3.13Å; D350-Y360 WeakPolarHBondContact OD2-CE1 3.32Å; D350-Y360 VanDerWaalsContact OD2-CZ 3.29Å; D350-Y360 PolarHBondContact OD2-OH 3.41Å
351Y82.1Confident86.9Confident25 Ų2555.2 Ų55.210%0.09831%0.313CS..  trans-103.896.1-179.6-170.1-86.5000109.4K301 L312 D329 I331 L349 L565 E567K301-Y351 WeakPolarHBondContact CD-OH 3.18Å; K301-Y351 PolarHBondContact NZ-OH 2.88Å; L312-Y351 HydrophobicContact CD1-CD2 4.31Å; L312-Y351 HydrophobicContact CD1-CE2 3.99Å; L312-Y351 HydrophobicContact CD2-CE2 3.9Å; D329-Y351 WeakPolarHBondContact O-CB 2.99Å; D329-Y351 PolarHBondContact O-N 3.3Å; I331-Y351 HydrophobicContact CD1-CD2 4.27Å; L349-Y351 PolarHBondContact O-N 2.81Å; Y351-L565 HydrophobicContact CD1-CD2 3.22Å; Y351-L565 HydrophobicContact CD1-CG 4.45Å; Y351-L565 HydrophobicContact CD2-CD2 3.95Å; Y351-L565 HydrophobicContact CE1-CD2 3.78Å; Y351-L565 HydrophobicContact CE2-CD2 4.42Å; Y351-L565 HydrophobicContact CG-CD2 3.29Å; Y351-E567 HydrophobicContact CD1-CG 4.45Å; Y351-E567 HydrophobicContact CE1-CB 4.45Å; Y351-E567 HydrophobicContact CE1-CG 3.69Å; Y351-E567 WeakPolarHBondContact CE1-OE1 3.31Å; Y351-E567 VanDerWaalsContact CZ-OE1 3.28Å; Y351-E567 PolarHBondContact OH-OE1 3.46Å
352T70.9Confident87Confident76 Ų7654 Ų5447%0.46630%0.303SS..BIsolated β-bridgetrans-101.2132.9166.451.40000107.8D354 E355T352-D354 PolarHBondContact O-N 2.82Å; T352-E355 PolarHBondContact O-N 2.99Å
353A60.2Low87.1Confident68 Ų6851.7 Ų51.756%0.56230%0.299SS*.THydrogen-bonded Turntrans-53.1-24.1-174.600000114.4
354D59.2Low87.1Confident153 Ų15355.2 Ų55.282%0.81832%0.322SS*.THydrogen-bonded Turntrans-94-11.5-171.4-57.8-42.9000115.4T352T352-D354 PolarHBondContact O-N 2.82Å
355E64.6Low87.1Confident148 Ų14854.2 Ų54.269%0.69231%0.314SS*.BIsolated β-bridgetrans-137.4135-177.1-66.9-170171.700112.3T352 G357T352-E355 PolarHBondContact O-N 2.99Å; E355-G357 VanDerWaalsContact C-N 3.28Å; E355-G357 PolarHBondContact O-N 2.88Å
356D69.9Low87.1Confident134 Ų13457.4 Ų57.472%0.71733%0.329SS*.  trans-64.891165.5-74.5-35.9000108.5P313P313-D356 HydrophobicContact CG-CB 4.17Å
357G80Confident87.1Confident17 Ų1759 Ų5918%0.17534%0.339CS..  trans-58.9162.7-177.900000113.1P313 L349 E355P313-G357 WeakPolarHBondContact CG-O 3.08Å; L349-G357 VanDerWaalsContact CD1-O 3.31Å; L349-G357 WeakPolarHBondContact CD1-O 3.44Å; E355-G357 VanDerWaalsContact C-N 3.28Å; E355-G357 PolarHBondContact O-N 2.88Å
358V89.5Confident87.1Confident120 Ų12065.2 Ų65.273%0.72736%0.362SS*.  trans-105.9133.3177.2-178.90000110Y360V358-Y360 WeakPolarHBondContact O-CD1 3.24Å; V358-Y360 PolarHBondContact O-N 3.37Å
359W94.8Very high87.2Confident15 Ų1565.4 Ų65.46%0.05736%0.363CS..  trans-64.8127170.8-69.598.9000111V299 P313 I315 T316 I331 V333 E347 C348 L349V299-W359 HydrophobicContact CG2-CZ2 4.08Å; P313-W359 PolarHBondContact O-NE1 3.49Å; I315-W359 HydrophobicContact CG2-CD2 3.84Å; I315-W359 HydrophobicContact CG2-CE3 4.18Å; I315-W359 HydrophobicContact CG2-CG 4.44Å; I315-W359 HydrophobicContact CG2-CH2 4.03Å; I315-W359 HydrophobicContact CG2-CZ2 3.66Å; I315-W359 HydrophobicContact CG2-CZ3 4.28Å; T316-W359 HydrophobicContact CG2-CB 4.06Å; I331-W359 HydrophobicContact CB-CH2 4.09Å; I331-W359 HydrophobicContact CG2-CH2 3.8Å; I331-W359 HydrophobicContact CG2-CZ3 4.47Å; V333-W359 HydrophobicContact CB-CZ3 4.22Å; V333-W359 HydrophobicContact CG2-CE3 4.44Å; V333-W359 HydrophobicContact CG2-CH2 3.44Å; V333-W359 VanDerWaalsContact CG2-CH2 3.44Å; V333-W359 HydrophobicContact CG2-CZ2 4.43Å; V333-W359 HydrophobicContact CG2-CZ3 3.45Å; V333-W359 VanDerWaalsContact CG2-CZ3 3.45Å; E347-W359 HydrophobicContact CB-CE3 3.87Å; E347-W359 HydrophobicContact CB-CZ3 4.46Å; C348-W359 WeakPolarHBondContact O-CA 3.34Å; L349-W359 HydrophobicContact CB-CD2 3.8Å; L349-W359 HydrophobicContact CB-CE3 3.62Å; L349-W359 HydrophobicContact CB-CH2 3.72Å; L349-W359 HydrophobicContact CB-CZ2 3.9Å; L349-W359 HydrophobicContact CB-CZ3 3.57Å; L349-W359 HydrophobicContact CD2-CH2 4.29Å; L349-W359 HydrophobicContact CD2-CZ2 3.75Å; L349-W359 HydrophobicContact CG-CZ2 4.44Å
360Y95.3Very high87.4Confident79 Ų7965.4 Ų65.431%0.3136%0.364SS..EExtended strand (participates in β ladder)trans-125.6155.6173.359.2-87.9000111.4E347 C348 D350 V358 V362E347-Y360 CarbonylContact C-O 3.46Å; E347-Y360 VanDerWaalsContact CA-O 3.29Å; E347-Y360 WeakPolarHBondContact CA-O 3.45Å; C348-Y360 HydrophobicContact CB-CD2 4.25Å; C348-Y360 HydrophobicContact CB-CE1 4.3Å; C348-Y360 HydrophobicContact CB-CE2 3.75Å; C348-Y360 PolarHBondContact N-O 3.12Å; C348-Y360 WeakPolarHBondContact O-CD1 3.27Å; C348-Y360 PolarHBondContact O-N 3.16Å; C348-Y360 PolarHBondContact SG-OH 3.42Å; D350-Y360 PolarHBondContact OD1-OH 3.13Å; D350-Y360 WeakPolarHBondContact OD2-CE1 3.32Å; D350-Y360 VanDerWaalsContact OD2-CZ 3.29Å; D350-Y360 PolarHBondContact OD2-OH 3.41Å; V358-Y360 WeakPolarHBondContact O-CD1 3.24Å; V358-Y360 PolarHBondContact O-N 3.37Å; Y360-V362 HydrophobicContact CD2-CG1 4Å; Y360-V362 HydrophobicContact CE2-CG1 3.7Å
361S97.4Very high87.8Confident93 Ų9363.8 Ų63.865%0.6536%0.355SS*.EExtended strand (participates in β ladder)trans-82.2136.2176.3-64.50000110.7V346V346-S361 WeakPolarHBondContact O-CA 3.28Å
362V97.9Very high88.6Confident19 Ų1963.4 Ų63.412%0.11536%0.357CS..EExtended strand (participates in β ladder)trans-108.2179.3168-610000109.5V346 C348 Y360 Y399 D404V346-V362 HydrophobicContact CB-CG2 3.64Å; V346-V362 HydrophobicContact CG1-CG2 3.53Å; V346-V362 PolarHBondContact O-N 2.98Å; V346-V362 VanDerWaalsContact O-N 3.1Å; C348-V362 HydrophobicContact CB-CG1 3.66Å; Y360-V362 HydrophobicContact CD2-CG1 4Å; Y360-V362 HydrophobicContact CE2-CG1 3.7Å; V362-Y399 WeakPolarHBondContact CB-OH 3.47Å; V362-D404 WeakPolarHBondContact CB-OD1 3.39Å
363A98.4Very high89.9Confident19 Ų1960.1 Ų60.116%0.15734%0.338CS..PPolyproline II helixtrans-50.9133.417900000111.3Y399 D404 W406A363-Y399 HydrophobicContact CB-CE2 4.26Å; A363-D404 WeakPolarHBondContact CB-O 3.46Å; A363-D404 VanDerWaalsContact CB-OD1 3.32Å; A363-D404 WeakPolarHBondContact CB-OD1 3.31Å; A363-D404 PolarHBondContact N-OD1 3.29Å; A363-D404 PolarHBondContact N-OD2 3.47Å; A363-W406 PolarHBondContact O-NE1 3.29Å
364P98.5Very high91.7Very high77 Ų7757.8 Ų57.850%0.532%0.319SS..PPolyproline II helixtrans-75153.4178.332-35.2000110.7S344 W406S344-P364 CarbonylContact O-C 3.57Å; S344-P364 WeakPolarHBondContact O-CA 3.46Å; S344-P364 WeakPolarHBondContact O-CB 3.43Å; P364-W406 VanDerWaalsContact C-CD1 3.46Å
365M98.6Very high93.6Very high7 Ų751.3 Ų51.33%0.03429%0.285CS..PPolyproline II helixtrans-56.4152.8168.4-69-176.8-63.300111.3I334 S344 V346 V367 R369 V383 E397 W406I334-M365 HydrophobicContact CG2-CE 3.79Å; I334-M365 HydrophobicContact CG2-CG 4.37Å; I334-M365 HydrophobicContact CG2-SD 3.43Å; I334-M365 WeakPolarHBondContact CG2-SD 3.33Å; S344-M365 WeakPolarHBondContact CB-O 3.45Å; S344-M365 PolarHBondContact O-N 3.03Å; V346-M365 HydrophobicContact CG2-CG 4.13Å; M365-V367 WeakPolarHBondContact CB-O 3.36Å; M365-V367 PolarHBondContact O-N 2.89Å; M365-R369 HydrophobicContact CE-CB 3.98Å; M365-R369 HydrophobicContact CE-CG 4.28Å; M365-R369 HydrophobicContact SD-CG 4.44Å; M365-V383 HydrophobicContact SD-CB 4.26Å; M365-V383 HydrophobicContact SD-CG1 3.87Å; M365-V383 HydrophobicContact SD-CG2 4.24Å; M365-E397 WeakPolarHBondContact CB-OE1 3.1Å; M365-W406 HydrophobicContact CG-CD2 4.01Å; M365-W406 HydrophobicContact CG-CE3 4.13Å; M365-W406 HydrophobicContact CG-CH2 3.89Å; M365-W406 HydrophobicContact CG-CZ2 3.76Å; M365-W406 HydrophobicContact CG-CZ3 4.07Å; M365-W406 HydrophobicContact SD-CH2 4.45Å
366N98.3Very high95.2Very high94 Ų9446.4 Ų46.450%0.50327%0.265SS..SBendtrans-66.2-25.9176.2-64.7-80.1000111.8E397 W406 M408N366-E397 VanDerWaalsContact CB-OE2 3.29Å; N366-E397 WeakPolarHBondContact CB-OE2 3.18Å; N366-E397 PolarHBondContact N-OE2 3Å; N366-E397 PolarHBondContact ND2-OE2 2.89Å; N366-W406 VanDerWaalsContact ND2-CB 3.33Å; N366-W406 WeakPolarHBondContact ND2-CB 3.16Å; N366-M408 HydrophobicContact CB-SD 3.81Å
367V97.2Very high96.4Very high34 Ų3441.7 Ų41.721%0.20624%0.24CC..SBendtrans-129.5146.1-177.5-174.70000110.1M365 H393M365-V367 WeakPolarHBondContact CB-O 3.36Å; M365-V367 PolarHBondContact O-N 2.89Å; V367-H393 WeakPolarHBondContact CG1-CE1 3.32Å; V367-H393 VanDerWaalsContact CG1-NE2 3.35Å; V367-H393 WeakPolarHBondContact CG1-NE2 3.48Å
368R98.3Very high96.9Very high132 Ų13243.7 Ų43.750%0.49826%0.26SS..  trans-72.9133.6172.8-61.1167.6-162.3-91-2.6109.1R342 L343 D388R342-R368 HydrophobicContact CB-CB 4.19Å; R342-R368 WeakPolarHBondContact O-CD 3.29Å; L343-R368 WeakPolarHBondContact O-CA 3.38Å; R368-D388 HydrophobicContact CB-CB 4.14Å; R368-D388 WeakPolarHBondContact O-CA 3.32Å; R368-D388 VanDerWaalsContact O-CB 3.24Å; R368-D388 WeakPolarHBondContact O-CB 3.42Å
369R98.4Very high97.2Very high3 Ų342.2 Ų42.21%0.01125%0.248CC..  trans-139.1123.8-178.2-60.4178.9-170.4-962.1110.5G336 L343 M365 A372 G385 S395 E397G336-R369 PolarHBondContact N-O 3.17Å; L343-R369 PolarHBondContact O-N 3.39Å; M365-R369 HydrophobicContact CE-CB 3.98Å; M365-R369 HydrophobicContact CE-CG 4.28Å; M365-R369 HydrophobicContact SD-CG 4.44Å; R369-A372 HydrophobicContact CB-CB 3.84Å; R369-A372 HydrophobicContact CG-CB 4.44Å; R369-G385 WeakPolarHBondContact CD-O 3.37Å; R369-G385 PolarHBondContact NH1-O 2.89Å; R369-S395 PolarHBondContact NH1-O 3.42Å; R369-S395 PolarHBondContact NH2-O 2.75Å; R369-S395 PolarHBondContact NH2-OG 3.15Å; R369-E397 IonicContact CZ-OE1 3.88Å; R369-E397 VanDerWaalsContact CZ-OE1 3.3Å; R369-E397 IonicContact NE-OE1 2.62Å; R369-E397 PolarHBondContact NE-OE1 3.12Å; R369-E397 IonicContact NH2-OE1 2.88Å; R369-E397 PolarHBondContact NH2-OE1 2.79Å
370G97.5Very high97.3Very high3 Ų343.4 Ų43.43%0.03126%0.255CS..BIsolated β-bridgetrans-112.9148.3156.600000109.6A372 G386 F387G370-A372 PolarHBondContact O-N 3.3Å; G370-G386 CarbonylContact O-C 3.58Å; G370-G386 WeakPolarHBondContact O-CA 3.5Å; G370-F387 PolarHBondContact N-O 3.4Å; G370-F387 PolarHBondContact O-N 3.1Å
371L97.7Very high97.5Very high24 Ų2439.7 Ų39.713%0.12624%0.24CC..SBendtrans57.334.1-177.3-68.6174.3000112.3Y321 E417 G418 Y512Y321-L371 HydrophobicContact CD1-CD1 3.97Å; Y321-L371 HydrophobicContact CD1-CD2 3.4Å; Y321-L371 HydrophobicContact CD1-CG 3.48Å; Y321-L371 VanDerWaalsContact CD1-CG 3.48Å; Y321-L371 HydrophobicContact CD2-CG 4.42Å; Y321-L371 HydrophobicContact CE1-CD1 4.03Å; Y321-L371 HydrophobicContact CE1-CD2 4.06Å; Y321-L371 HydrophobicContact CE1-CG 4.08Å; Y321-L371 HydrophobicContact CG-CD1 4.35Å; Y321-L371 HydrophobicContact CG-CD2 4.01Å; Y321-L371 HydrophobicContact CG-CG 3.68Å; Y321-L371 PolarHBondContact O-N 3.21Å; L371-E417 HydrophobicContact CB-CB 4.24Å; L371-G418 PolarHBondContact O-N 3.32Å; L371-Y512 HydrophobicContact CD1-CE1 4.14Å; L371-Y512 HydrophobicContact CD2-CD1 3.96Å; L371-Y512 HydrophobicContact CD2-CE1 3.98Å
372A98.2Very high97.6Very high16 Ų1635.8 Ų35.813%0.13221%0.211CC..  trans-82.4153167.900000110.1R369 G370 V383R369-A372 HydrophobicContact CB-CB 3.84Å; R369-A372 HydrophobicContact CG-CB 4.44Å; G370-A372 PolarHBondContact O-N 3.3Å; A372-V383 HydrophobicContact CB-CG1 3.78Å
373G98.2Very high97.6Very high7 Ų734.9 Ų34.97%0.07221%0.206CC..EExtended strand (participates in β ladder)trans-85.7144.2166.300000110.1V383 S384 L421G373-V383 WeakPolarHBondContact O-CA 3.33Å; G373-S384 PolarHBondContact N-O 3.34Å; G373-S384 VanDerWaalsContact N-O 3.08Å; G373-S384 PolarHBondContact O-N 3.42Å; G373-L421 WeakPolarHBondContact O-CD2 3.23Å
374A98.5Very high97.6Very high19 Ų1934.1 Ų34.116%0.15720%0.199CC..EExtended strand (participates in β ladder)trans-134.3146.3173.500000110.8A323 V325 I334 Y382 V383A323-A374 HydrophobicContact CB-CB 3.68Å; V325-A374 HydrophobicContact CG1-CB 3.86Å; I334-A374 HydrophobicContact CD1-CB 4.19Å; A374-Y382 CarbonylContact C-O 3.56Å; A374-Y382 WeakPolarHBondContact CA-O 3.41Å; A374-V383 HydrophobicContact CB-CG2 4.13Å
375T98.1Very high97.6Very high17 Ų1730.5 Ų30.510%0.10418%0.176CC..EExtended strand (participates in β ladder)trans-153.5165.7177.6-170.20000109.5Y382 L421 V423 I428T375-Y382 PolarHBondContact N-O 3.48Å; T375-Y382 PolarHBondContact O-N 3.33Å; T375-L421 HydrophobicContact CG2-CD2 3.79Å; T375-L421 HydrophobicContact CG2-CG 3.9Å; T375-V423 HydrophobicContact CG2-CG2 3.63Å; T375-V423 PolarHBondContact OG1-N 3.47Å; T375-I428 HydrophobicContact CG2-CG1 4.32Å; T375-I428 HydrophobicContact CG2-CG2 4.1Å
376T97.6Very high97.6Very high45 Ų4530.2 Ų30.228%0.27618%0.175SC..EExtended strand (participates in β ladder)trans-108144.1172.448.30000111.1V325 S326 L327 M380 I381 V423V325-T376 HydrophobicContact CB-CG2 4.08Å; V325-T376 HydrophobicContact CG2-CG2 4.12Å; S326-T376 WeakPolarHBondContact O-CG2 3.39Å; L327-T376 HydrophobicContact CB-CG2 4.02Å; L327-T376 HydrophobicContact CD1-CG2 4.03Å; L327-T376 HydrophobicContact CG-CG2 4.43Å; T376-M380 WeakPolarHBondContact CA-O 3.45Å; T376-I381 HydrophobicContact CG2-CG1 4.1Å; T376-V423 VanDerWaalsContact O-CG2 3.31Å; T376-V423 WeakPolarHBondContact O-CG2 3.39Å
377L96.2Very high97.6Very high36 Ų3626.5 Ų26.519%0.18815%0.154CC..EExtended strand (participates in β ladder)trans-142.5116.9171175.364.6000109.1M380 Y382 V423 I428 P448L377-M380 PolarHBondContact N-O 2.96Å; L377-M380 PolarHBondContact O-N 2.63Å; L377-Y382 HydrophobicContact CB-CD2 4.07Å; L377-Y382 HydrophobicContact CB-CE2 3.76Å; L377-Y382 HydrophobicContact CD2-CE2 4.49Å; L377-V423 HydrophobicContact CB-CG2 3.94Å; L377-V423 HydrophobicContact CD1-CG1 3.74Å; L377-V423 HydrophobicContact CD1-CG2 4.5Å; L377-I428 HydrophobicContact CD2-CD1 4.45Å; L377-I428 HydrophobicContact CD2-CG1 4.43Å; L377-P448 HydrophobicContact CD2-CB 4.36Å; L377-P448 HydrophobicContact CD2-CG 3.43Å; L377-P448 VanDerWaalsContact CD2-CG 3.43Å
378G91.2Very high97.6Very high59 Ų5927 Ų2761%0.60816%0.156SC*.THydrogen-bonded Turntrans59.8-139.3-16700000110.3M380G378-M380 PolarHBondContact O-N 3.43Å
379D94.5Very high97.5Very high88 Ų8822.2 Ų22.247%0.47115%0.148SC..THydrogen-bonded Turntrans-88.826.6-179.8-56.7-49.6000113.4H328 P401H328-D379 IonicContact CE1-OD1 3.46Å; H328-D379 PolarHBondContact CE1-OD1 2.75Å; H328-D379 IonicContact NE2-OD1 3.42Å; H328-D379 PolarHBondContact NE2-OD1 3Å; D379-P401 VanDerWaalsContact O-CD 3.24Å; D379-P401 WeakPolarHBondContact O-CD 3.31Å
380M98Very high97.4Very high41 Ų4127.4 Ų27.420%0.20218%0.184CC..EExtended strand (participates in β ladder)trans-131.3148.3-169.7-59.7-81.5169.200111T376 L377 G378 Y382 D400T376-M380 WeakPolarHBondContact CA-O 3.45Å; L377-M380 PolarHBondContact N-O 2.96Å; L377-M380 PolarHBondContact O-N 2.63Å; G378-M380 PolarHBondContact O-N 3.43Å; M380-Y382 HydrophobicContact CB-CD2 4.39Å; M380-Y382 HydrophobicContact CB-CE2 3.72Å; M380-D400 HydrophobicContact CE-CB 3.88Å; M380-D400 VanDerWaalsContact CE-OD2 3.28Å; M380-D400 WeakPolarHBondContact CE-OD2 3.47Å; M380-D400 VanDerWaalsContact SD-CA 3.51Å; M380-D400 HydrophobicContact SD-CB 3.52Å; M380-D400 VanDerWaalsContact SD-CB 3.52Å
381I98.7Very high97.4Very high0 Ų034.2 Ų34.20%021%0.209CC..EExtended strand (participates in β ladder)trans-104.2136.8174.9-57.3171.9000108.9V325 L327 Y332 I334 T376 V383 R398 Y399 W406V325-I381 HydrophobicContact CG2-CB 4.49Å; V325-I381 HydrophobicContact CG2-CD1 3.77Å; V325-I381 HydrophobicContact CG2-CG1 3.94Å; V325-I381 HydrophobicContact CG2-CG2 3.79Å; L327-I381 HydrophobicContact CD2-CD1 4.37Å; L327-I381 HydrophobicContact CD2-CG1 3.84Å; Y332-I381 HydrophobicContact CD1-CD1 3.75Å; Y332-I381 HydrophobicContact CD2-CD1 3.45Å; Y332-I381 VanDerWaalsContact CD2-CD1 3.45Å; Y332-I381 HydrophobicContact CE1-CD1 4.1Å; Y332-I381 HydrophobicContact CE2-CD1 3.83Å; Y332-I381 HydrophobicContact CG-CD1 3.39Å; I334-I381 HydrophobicContact CD1-CG2 3.71Å; T376-I381 HydrophobicContact CG2-CG1 4.1Å; I381-V383 HydrophobicContact CG2-CG2 4.36Å; I381-R398 CarbonylContact O-C 3.55Å; I381-R398 WeakPolarHBondContact O-CA 3.47Å; I381-R398 WeakPolarHBondContact O-CB 3.14Å; I381-Y399 HydrophobicContact CD1-CD1 3.96Å; I381-Y399 HydrophobicContact CG1-CD1 4.48Å; I381-Y399 PolarHBondContact N-O 2.75Å; I381-Y399 VanDerWaalsContact N-O 3.13Å; I381-Y399 PolarHBondContact O-N 3.41Å; I381-W406 HydrophobicContact CG2-CH2 4.46Å
382Y98.8Very high97.4Very high12 Ų1236.2 Ų36.25%0.04722%0.215CC..EExtended strand (participates in β ladder)trans-119.7135.1178-70.3-106.1000109.9A374 T375 L377 M380 M396 R398 L409 I428A374-Y382 CarbonylContact C-O 3.56Å; A374-Y382 WeakPolarHBondContact CA-O 3.41Å; T375-Y382 PolarHBondContact N-O 3.48Å; T375-Y382 PolarHBondContact O-N 3.33Å; L377-Y382 HydrophobicContact CB-CD2 4.07Å; L377-Y382 HydrophobicContact CB-CE2 3.76Å; L377-Y382 HydrophobicContact CD2-CE2 4.49Å; M380-Y382 HydrophobicContact CB-CD2 4.39Å; M380-Y382 HydrophobicContact CB-CE2 3.72Å; Y382-M396 HydrophobicContact CD1-CE 4.3Å; Y382-M396 HydrophobicContact CD1-SD 3.83Å; Y382-R398 HydrophobicContact CD1-CB 3.87Å; Y382-R398 HydrophobicContact CD2-CB 4.46Å; Y382-R398 HydrophobicContact CE1-CB 3.85Å; Y382-R398 HydrophobicContact CE2-CB 4.4Å; Y382-R398 HydrophobicContact CG-CB 4.2Å; Y382-L409 HydrophobicContact CD1-CD1 3.74Å; Y382-L409 HydrophobicContact CE1-CD1 3.42Å; Y382-L409 VanDerWaalsContact CE1-CD1 3.42Å; Y382-I428 HydrophobicContact CD1-CD1 3.35Å; Y382-I428 HydrophobicContact CD2-CD1 4.03Å; Y382-I428 HydrophobicContact CE1-CD1 3.77Å; Y382-I428 HydrophobicContact CE2-CD1 4.42Å; Y382-I428 HydrophobicContact CG-CD1 3.49Å; Y382-I428 VanDerWaalsContact CG-CD1 3.49Å
383V98.7Very high97.4Very high0 Ų036 Ų360%021%0.211CC..EExtended strand (participates in β ladder)trans-129.7128.2178.5-174.90000109I334 M365 A372 G373 A374 I381 M396 E397 W406I334-V383 HydrophobicContact CD1-CG2 4.15Å; I334-V383 HydrophobicContact CG2-CG1 4.43Å; I334-V383 HydrophobicContact CG2-CG2 3.8Å; M365-V383 HydrophobicContact SD-CB 4.26Å; M365-V383 HydrophobicContact SD-CG1 3.87Å; M365-V383 HydrophobicContact SD-CG2 4.24Å; A372-V383 HydrophobicContact CB-CG1 3.78Å; G373-V383 WeakPolarHBondContact O-CA 3.33Å; A374-V383 HydrophobicContact CB-CG2 4.13Å; I381-V383 HydrophobicContact CG2-CG2 4.36Å; V383-M396 VanDerWaalsContact O-CA 3.31Å; V383-M396 WeakPolarHBondContact O-CA 3.42Å; V383-M396 WeakPolarHBondContact O-CG 3.5Å; V383-E397 HydrophobicContact CB-CG 4.49Å; V383-E397 PolarHBondContact N-O 3.32Å; V383-E397 PolarHBondContact O-N 3.21Å; V383-W406 HydrophobicContact CB-CZ3 4.19Å; V383-W406 HydrophobicContact CG2-CH2 3.56Å; V383-W406 HydrophobicContact CG2-CZ3 3.62Å
384S98.5Very high97.4Very high2 Ų236.5 Ų36.51%0.01421%0.213CC..EExtended strand (participates in β ladder)trans-133.3144.4-176.5-167.60000112.3G373 M412G373-S384 PolarHBondContact N-O 3.34Å; G373-S384 VanDerWaalsContact N-O 3.08Å; G373-S384 PolarHBondContact O-N 3.42Å; S384-M412 WeakPolarHBondContact OG-CE 3.31Å; S384-M412 PolarHBondContact OG-SD 3.08Å
385G98.4Very high97.4Very high1 Ų136.1 Ų36.11%0.0121%0.209CC..  trans65.8-144.7177.800000114.2R369 H393 S395 R416R369-G385 WeakPolarHBondContact CD-O 3.37Å; R369-G385 PolarHBondContact NH1-O 2.89Å; G385-H393 WeakPolarHBondContact CA-O 3.32Å; G385-S395 PolarHBondContact N-O 2.81Å; G385-R416 CarbonylContact C-O 3.58Å; G385-R416 WeakPolarHBondContact CA-O 3.21Å
386G98.3Very high97.4Very high1 Ų135.3 Ų35.31%0.0120%0.204CC..  trans84.1-179.9-171.400000113.6G370 R392 H393 R416G370-G386 CarbonylContact O-C 3.58Å; G370-G386 WeakPolarHBondContact O-CA 3.5Å; G386-R392 WeakPolarHBondContact O-CA 3.18Å; G386-H393 PolarHBondContact O-N 3.07Å; G386-R416 PolarHBondContact N-O 3.21Å
387F98.4Very high97.5Very high17 Ų1733.1 Ų33.18%0.07519%0.191CC..BIsolated β-bridgetrans-125.3135-176.2-179.1-124000110.7R342 G370 G389 R391 R392 E417R342-F387 WeakPolarHBondContact CG-O 3.28Å; G370-F387 PolarHBondContact N-O 3.4Å; G370-F387 PolarHBondContact O-N 3.1Å; F387-G389 VanDerWaalsContact CZ-O 3.27Å; F387-G389 WeakPolarHBondContact CZ-O 3.37Å; F387-R391 WeakPolarHBondContact CD2-O 3.4Å; F387-R392 HydrophobicContact CB-CG 4.32Å; F387-R392 VanDerWaalsContact CD2-CD 3.47Å; F387-R392 HydrophobicContact CD2-CG 3.88Å; F387-R392 VanDerWaalsContact CE2-CZ 3.46Å; F387-R392 HydrophobicContact CG-CG 4.47Å; F387-E417 HydrophobicContact CB-CB 4.14Å; F387-E417 WeakPolarHBondContact CB-OE2 3.21Å; F387-E417 WeakPolarHBondContact CG-OE2 3.37Å
388D97.7Very high97.6Very high44 Ų4436.1 Ų36.124%0.23520%0.199CC..  trans-93.4-5.8-179.262.820.4000113.9R368 S390 R391 H393R368-D388 HydrophobicContact CB-CB 4.14Å; R368-D388 WeakPolarHBondContact O-CA 3.32Å; R368-D388 VanDerWaalsContact O-CB 3.24Å; R368-D388 WeakPolarHBondContact O-CB 3.42Å; D388-S390 WeakPolarHBondContact OD1-CA 3.32Å; D388-S390 WeakPolarHBondContact OD1-CB 3.47Å; D388-S390 PolarHBondContact OD1-N 3.14Å; D388-R391 PolarHBondContact N-O 3.36Å; D388-R391 PolarHBondContact OD1-N 3.33Å; D388-H393 IonicContact OD2-CE1 2.84Å; D388-H393 PolarHBondContact OD2-CE1 2.97Å; D388-H393 IonicContact OD2-NE2 3.19Å; D388-H393 PolarHBondContact OD2-NE2 3.45Å
389G95.7Very high97.9Very high32 Ų3233.5 Ų33.533%0.3317%0.171SC..SBendtrans110.5-17-171.600000114.1F387F387-G389 VanDerWaalsContact CZ-O 3.27Å; F387-G389 WeakPolarHBondContact CZ-O 3.37Å
390S96.4Very high98.1Very high112 Ų11230.8 Ų30.878%0.78316%0.157SC*.SBendtrans-127.5-45179.6-60.80000112.2D388D388-S390 WeakPolarHBondContact OD1-CA 3.32Å; D388-S390 WeakPolarHBondContact OD1-CB 3.47Å; D388-S390 PolarHBondContact OD1-N 3.14Å
391R97.1Very high98Very high145 Ų14529.8 Ų29.855%0.54715%0.153SC..  trans-129.4140.5-174.8176.3173.3179.8-142.6-2111.6F387 D388 H393F387-R391 WeakPolarHBondContact CD2-O 3.4Å; D388-R391 PolarHBondContact N-O 3.36Å; D388-R391 PolarHBondContact OD1-N 3.33Å; R391-H393 PolarHBondContact O-CD2 3.23Å
392R98.1Very high97.9Very high66 Ų6635.8 Ų35.825%0.24919%0.186CC..BIsolated β-bridgetrans-83.1136.7166.5-75.681.2-174.3173.5-0.3108.7G386 F387 A415 E417G386-R392 WeakPolarHBondContact O-CA 3.18Å; F387-R392 HydrophobicContact CB-CG 4.32Å; F387-R392 VanDerWaalsContact CD2-CD 3.47Å; F387-R392 HydrophobicContact CD2-CG 3.88Å; F387-R392 VanDerWaalsContact CE2-CZ 3.46Å; F387-R392 HydrophobicContact CG-CG 4.47Å; R392-A415 HydrophobicContact CB-CB 3.9Å; R392-A415 WeakPolarHBondContact O-CB 3.35Å; R392-E417 HydrophobicContact CG-CB 4.11Å; R392-E417 HydrophobicContact CG-CG 4.12Å; R392-E417 IonicContact CZ-OE1 3.17Å; R392-E417 IonicContact NE-OE1 2.68Å; R392-E417 PolarHBondContact NE-OE1 2.87Å; R392-E417 IonicContact NE-OE2 3.41Å; R392-E417 IonicContact NH2-OE1 2.79Å; R392-E417 PolarHBondContact NH2-OE1 2.74Å
393H98.4Very high97.8Very high12 Ų1239.8 Ų39.86%0.05621%0.207CC..  trans-94.9141.6-170.8-72.2-75.1000112.3V367 G385 G386 D388 R391 A415 R416V367-H393 WeakPolarHBondContact CG1-CE1 3.32Å; V367-H393 VanDerWaalsContact CG1-NE2 3.35Å; V367-H393 WeakPolarHBondContact CG1-NE2 3.48Å; G385-H393 WeakPolarHBondContact CA-O 3.32Å; G386-H393 PolarHBondContact O-N 3.07Å; D388-H393 IonicContact OD2-CE1 2.84Å; D388-H393 PolarHBondContact OD2-CE1 2.97Å; D388-H393 IonicContact OD2-NE2 3.19Å; D388-H393 PolarHBondContact OD2-NE2 3.45Å; R391-H393 PolarHBondContact O-CD2 3.23Å; H393-A415 WeakPolarHBondContact O-CA 3.31Å; H393-R416 PolarHBondContact O-N 3.42Å; H393-R416 VanDerWaalsContact O-N 3.15Å
394T98.5Very high97.8Very high18 Ų1843.1 Ų43.111%0.1122%0.224CC..  trans-90.1-22.3162.143.10000111.6D411 M412 A415T394-D411 PolarHBondContact OG1-OD2 3.45Å; T394-M412 VanDerWaalsContact CB-O 3.32Å; T394-M412 WeakPolarHBondContact CB-O 3.24Å; T394-M412 WeakPolarHBondContact CG2-O 3.27Å; T394-M412 PolarHBondContact O-N 2.85Å; T394-A415 HydrophobicContact CG2-CB 4.01Å
395S98.3Very high97.8Very high10 Ų1048.4 Ų48.47%0.0725%0.249CC..  trans-74.5146.8-167.7660000112.7R369 G385 M408 D411R369-S395 PolarHBondContact NH1-O 3.42Å; R369-S395 PolarHBondContact NH2-O 2.75Å; R369-S395 PolarHBondContact NH2-OG 3.15Å; G385-S395 PolarHBondContact N-O 2.81Å; S395-M408 VanDerWaalsContact CB-CE 3.47Å; S395-D411 VanDerWaalsContact CA-OD1 3.31Å; S395-D411 WeakPolarHBondContact CA-OD1 3.27Å; S395-D411 WeakPolarHBondContact CB-OD1 3.41Å
396M98.5Very high97.8Very high0 Ų049.4 Ų49.40%025%0.252CS..EExtended strand (participates in β ladder)trans-115.4145.2169.5-178174.857.300109.6Y382 V383 L409 I428 Y446 W453Y382-M396 HydrophobicContact CD1-CE 4.3Å; Y382-M396 HydrophobicContact CD1-SD 3.83Å; V383-M396 VanDerWaalsContact O-CA 3.31Å; V383-M396 WeakPolarHBondContact O-CA 3.42Å; V383-M396 WeakPolarHBondContact O-CG 3.5Å; M396-L409 HydrophobicContact CE-CB 3.89Å; M396-L409 HydrophobicContact CE-CD1 3.72Å; M396-L409 HydrophobicContact CE-CG 4.48Å; M396-L409 PolarHBondContact O-N 2.84Å; M396-I428 HydrophobicContact SD-CD1 4.18Å; M396-Y446 HydrophobicContact CE-CD1 3.54Å; M396-Y446 HydrophobicContact CE-CD2 3.57Å; M396-Y446 HydrophobicContact CE-CE1 3.48Å; M396-Y446 VanDerWaalsContact CE-CE1 3.48Å; M396-Y446 HydrophobicContact CE-CE2 3.52Å; M396-Y446 HydrophobicContact CE-CG 3.56Å; M396-Y446 VanDerWaalsContact CE-CZ 3.47Å; M396-W453 HydrophobicContact CB-CZ2 4.17Å; M396-W453 HydrophobicContact CE-CZ2 3.79Å; M396-W453 HydrophobicContact CG-CZ2 4.45Å; M396-W453 HydrophobicContact SD-CH2 4.25Å; M396-W453 HydrophobicContact SD-CZ2 3.58Å; M396-W453 VanDerWaalsContact SD-CZ2 3.58Å
397E98.6Very high97.8Very high0 Ų051.8 Ų51.80%027%0.269CS..EExtended strand (participates in β ladder)trans-134148.3170.957-167.4136.600110.3M365 N366 R369 V383 W406 S407 M408M365-E397 WeakPolarHBondContact CB-OE1 3.1Å; N366-E397 VanDerWaalsContact CB-OE2 3.29Å; N366-E397 WeakPolarHBondContact CB-OE2 3.18Å; N366-E397 PolarHBondContact N-OE2 3Å; N366-E397 PolarHBondContact ND2-OE2 2.89Å; R369-E397 IonicContact CZ-OE1 3.88Å; R369-E397 VanDerWaalsContact CZ-OE1 3.3Å; R369-E397 IonicContact NE-OE1 2.62Å; R369-E397 PolarHBondContact NE-OE1 3.12Å; R369-E397 IonicContact NH2-OE1 2.88Å; R369-E397 PolarHBondContact NH2-OE1 2.79Å; V383-E397 HydrophobicContact CB-CG 4.49Å; V383-E397 PolarHBondContact N-O 3.32Å; V383-E397 PolarHBondContact O-N 3.21Å; E397-W406 HydrophobicContact CB-CE3 4.1Å; E397-W406 HydrophobicContact CG-CE3 3.63Å; E397-W406 HydrophobicContact CG-CZ3 3.95Å; E397-S407 CarbonylContact C-O 3.58Å; E397-S407 VanDerWaalsContact CA-O 3.24Å; E397-S407 WeakPolarHBondContact CA-O 3.31Å; E397-M408 HydrophobicContact CB-SD 3.82Å
398R98.4Very high97.8Very high98 Ų9855 Ų5537%0.3729%0.285SS..EExtended strand (participates in β ladder)trans-113.5148.7173.973.6172.6179.4-156.3-2.4111.6I381 Y382 W406 S407 L409I381-R398 CarbonylContact O-C 3.55Å; I381-R398 WeakPolarHBondContact O-CA 3.47Å; I381-R398 WeakPolarHBondContact O-CB 3.14Å; Y382-R398 HydrophobicContact CD1-CB 3.87Å; Y382-R398 HydrophobicContact CD2-CB 4.46Å; Y382-R398 HydrophobicContact CE1-CB 3.85Å; Y382-R398 HydrophobicContact CE2-CB 4.4Å; Y382-R398 HydrophobicContact CG-CB 4.2Å; R398-W406 CarbonylContact O-C 3.57Å; R398-W406 VanDerWaalsContact O-CA 3.23Å; R398-W406 WeakPolarHBondContact O-CA 3.38Å; R398-S407 PolarHBondContact N-O 2.95Å; R398-S407 PolarHBondContact O-N 2.85Å; R398-L409 HydrophobicContact CB-CD1 3.91Å; R398-L409 HydrophobicContact CG-CD1 4.02Å; R398-L409 HydrophobicContact CG-CD2 4.45Å; R398-L409 HydrophobicContact CG-CG 4.36Å
399Y98.8Very high97.8Very high5 Ų554.6 Ų54.62%0.0228%0.283CS..EExtended strand (participates in β ladder)trans-110.1132.9173.3177.1-109.7000110.5Y332 V362 A363 I381 P401 D404 Q405 W406Y332-Y399 HydrophobicContact CD1-CE1 4.4Å; Y332-Y399 HydrophobicContact CE1-CD1 4.4Å; Y332-Y399 AromaticContact CE1-CE1 3.69Å; Y332-Y399 HydrophobicContact CE1-CE1 3.69Å; V362-Y399 WeakPolarHBondContact CB-OH 3.47Å; A363-Y399 HydrophobicContact CB-CE2 4.26Å; I381-Y399 HydrophobicContact CD1-CD1 3.96Å; I381-Y399 HydrophobicContact CG1-CD1 4.48Å; I381-Y399 PolarHBondContact N-O 2.75Å; I381-Y399 VanDerWaalsContact N-O 3.13Å; I381-Y399 PolarHBondContact O-N 3.41Å; Y399-P401 HydrophobicContact CD1-CG 3.96Å; Y399-P401 HydrophobicContact CE1-CB 3.98Å; Y399-P401 HydrophobicContact CE1-CG 3.82Å; Y399-D404 WeakPolarHBondContact CE2-OD1 3.31Å; Y399-D404 VanDerWaalsContact CZ-OD1 3.3Å; Y399-D404 PolarHBondContact OH-OD1 3.2Å; Y399-Q405 WeakPolarHBondContact CA-O 3.31Å; Y399-W406 AromaticContact CD2-CD1 3.71Å; Y399-W406 HydrophobicContact CD2-CD2 4.05Å; Y399-W406 AromaticContact CD2-CE2 3.58Å; Y399-W406 HydrophobicContact CD2-CG 4.12Å; Y399-W406 HydrophobicContact CD2-CZ2 4.04Å; Y399-W406 AromaticContact CD2-NE1 3.35Å; Y399-W406 AromaticContact CE2-NE1 3.97Å; Y399-W406 HydrophobicContact CG-CD2 4.31Å; Y399-W406 AromaticContact CG-CE2 3.84Å; Y399-W406 HydrophobicContact CG-CH2 4.37Å; Y399-W406 AromaticContact CG-CZ2 3.86Å; Y399-W406 HydrophobicContact CG-CZ2 3.86Å
400D98Very high97.8Very high31 Ų3154.2 Ų54.217%0.16628%0.279CS..EExtended strand (participates in β ladder)trans-104.5108.2171-174.1-16.6000109.6M380 N402 I403 D404 Q405M380-D400 HydrophobicContact CE-CB 3.88Å; M380-D400 VanDerWaalsContact CE-OD2 3.28Å; M380-D400 WeakPolarHBondContact CE-OD2 3.47Å; M380-D400 VanDerWaalsContact SD-CA 3.51Å; M380-D400 HydrophobicContact SD-CB 3.52Å; M380-D400 VanDerWaalsContact SD-CB 3.52Å; D400-N402 PolarHBondContact O-N 3.46Å; D400-N402 VanDerWaalsContact OD1-CB 3.28Å; D400-N402 WeakPolarHBondContact OD1-CB 3.45Å; D400-N402 PolarHBondContact OD1-N 2.77Å; D400-N402 PolarHBondContact OD1-ND2 3.26Å; D400-I403 HydrophobicContact CB-CD1 4.24Å; D400-I403 HydrophobicContact CB-CG1 3.75Å; D400-I403 PolarHBondContact O-N 3.03Å; D400-D404 WeakPolarHBondContact O-CA 3.25Å; D400-D404 PolarHBondContact O-N 2.87Å; D400-Q405 PolarHBondContact N-O 2.87Å; D400-Q405 PolarHBondContact O-N 2.99Å
401P96.3Very high97.9Very high20 Ų2052.9 Ų52.913%0.1326%0.263CS..THydrogen-bonded Turntrans-62.8-21.8178.2-21.432.3000114.4L327 D379 Y399L327-P401 HydrophobicContact CD2-CG 3.73Å; D379-P401 VanDerWaalsContact O-CD 3.24Å; D379-P401 WeakPolarHBondContact O-CD 3.31Å; Y399-P401 HydrophobicContact CD1-CG 3.96Å; Y399-P401 HydrophobicContact CE1-CB 3.98Å; Y399-P401 HydrophobicContact CE1-CG 3.82Å
402N95.8Very high97.9Very high126 Ų12646.2 Ų46.267%0.67424%0.238SC*.THydrogen-bonded Turntrans-76.4-30.4-175.9-58-67.1000112.5D400D400-N402 PolarHBondContact O-N 3.46Å; D400-N402 VanDerWaalsContact OD1-CB 3.28Å; D400-N402 WeakPolarHBondContact OD1-CB 3.45Å; D400-N402 PolarHBondContact OD1-N 2.77Å; D400-N402 PolarHBondContact OD1-ND2 3.26Å
403I97.5Very high97.9Very high96 Ų9648.9 Ų48.949%0.49225%0.254SS..THydrogen-bonded Turntrans-1160.9-179.962.4170.5000113D400 Q405D400-I403 HydrophobicContact CB-CD1 4.24Å; D400-I403 HydrophobicContact CB-CG1 3.75Å; D400-I403 PolarHBondContact O-N 3.03Å; I403-Q405 HydrophobicContact CD1-CB 4.06Å; I403-Q405 HydrophobicContact CD1-CG 4.45Å; I403-Q405 HydrophobicContact CG1-CB 4.06Å; I403-Q405 HydrophobicContact CG1-CG 4.39Å; I403-Q405 WeakPolarHBondContact O-CG 3.35Å; I403-Q405 PolarHBondContact O-N 3.36Å
404D97.9Very high97.9Very high69 Ų6950.3 Ų50.337%0.36926%0.263SS..THydrogen-bonded Turntrans50.554.1-177.8-169.733.1000112.7V362 A363 Y399 D400V362-D404 WeakPolarHBondContact CB-OD1 3.39Å; A363-D404 WeakPolarHBondContact CB-O 3.46Å; A363-D404 VanDerWaalsContact CB-OD1 3.32Å; A363-D404 WeakPolarHBondContact CB-OD1 3.31Å; A363-D404 PolarHBondContact N-OD1 3.29Å; A363-D404 PolarHBondContact N-OD2 3.47Å; Y399-D404 WeakPolarHBondContact CE2-OD1 3.31Å; Y399-D404 VanDerWaalsContact CZ-OD1 3.3Å; Y399-D404 PolarHBondContact OH-OD1 3.2Å; D400-D404 WeakPolarHBondContact O-CA 3.25Å; D400-D404 PolarHBondContact O-N 2.87Å
405Q98.5Very high97.9Very high114 Ų11450.5 Ų50.553%0.53327%0.266SS..EExtended strand (participates in β ladder)trans-137.7144.1-177.4-72.8179.91600113.5Y399 D400 I403Y399-Q405 WeakPolarHBondContact CA-O 3.31Å; D400-Q405 PolarHBondContact N-O 2.87Å; D400-Q405 PolarHBondContact O-N 2.99Å; I403-Q405 HydrophobicContact CD1-CB 4.06Å; I403-Q405 HydrophobicContact CD1-CG 4.45Å; I403-Q405 HydrophobicContact CG1-CB 4.06Å; I403-Q405 HydrophobicContact CG1-CG 4.39Å; I403-Q405 WeakPolarHBondContact O-CG 3.35Å; I403-Q405 PolarHBondContact O-N 3.36Å
406W98.8Very high97.9Very high22 Ų2250 Ų508%0.08326%0.263CS..EExtended strand (participates in β ladder)trans-98.1136.1170.7-69.486.9000111.2I334 V346 A363 P364 M365 N366 I381 V383 E397 R398 Y399I334-W406 HydrophobicContact CG2-CH2 4.48Å; V346-W406 HydrophobicContact CG2-CZ2 3.8Å; A363-W406 PolarHBondContact O-NE1 3.29Å; P364-W406 VanDerWaalsContact C-CD1 3.46Å; M365-W406 HydrophobicContact CG-CD2 4.01Å; M365-W406 HydrophobicContact CG-CE3 4.13Å; M365-W406 HydrophobicContact CG-CH2 3.89Å; M365-W406 HydrophobicContact CG-CZ2 3.76Å; M365-W406 HydrophobicContact CG-CZ3 4.07Å; M365-W406 HydrophobicContact SD-CH2 4.45Å; N366-W406 VanDerWaalsContact ND2-CB 3.33Å; N366-W406 WeakPolarHBondContact ND2-CB 3.16Å; I381-W406 HydrophobicContact CG2-CH2 4.46Å; V383-W406 HydrophobicContact CB-CZ3 4.19Å; V383-W406 HydrophobicContact CG2-CH2 3.56Å; V383-W406 HydrophobicContact CG2-CZ3 3.62Å; E397-W406 HydrophobicContact CB-CE3 4.1Å; E397-W406 HydrophobicContact CG-CE3 3.63Å; E397-W406 HydrophobicContact CG-CZ3 3.95Å; R398-W406 CarbonylContact O-C 3.57Å; R398-W406 VanDerWaalsContact O-CA 3.23Å; R398-W406 WeakPolarHBondContact O-CA 3.38Å; Y399-W406 AromaticContact CD2-CD1 3.71Å; Y399-W406 HydrophobicContact CD2-CD2 4.05Å; Y399-W406 AromaticContact CD2-CE2 3.58Å; Y399-W406 HydrophobicContact CD2-CG 4.12Å; Y399-W406 HydrophobicContact CD2-CZ2 4.04Å; Y399-W406 AromaticContact CD2-NE1 3.35Å; Y399-W406 AromaticContact CE2-NE1 3.97Å; Y399-W406 HydrophobicContact CG-CD2 4.31Å; Y399-W406 AromaticContact CG-CE2 3.84Å; Y399-W406 HydrophobicContact CG-CH2 4.37Å; Y399-W406 AromaticContact CG-CZ2 3.86Å; Y399-W406 HydrophobicContact CG-CZ2 3.86Å
407S98.4Very high97.9Very high50 Ų5051 Ų5135%0.3527%0.268SS..EExtended strand (participates in β ladder)trans-124.6129.9175.3-66.50000110.9E397 R398E397-S407 CarbonylContact C-O 3.58Å; E397-S407 VanDerWaalsContact CA-O 3.24Å; E397-S407 WeakPolarHBondContact CA-O 3.31Å; R398-S407 PolarHBondContact N-O 2.95Å; R398-S407 PolarHBondContact O-N 2.85Å
408M98.1Very high97.8Very high85 Ų8551.4 Ų51.442%0.41927%0.272SS..EExtended strand (participates in β ladder)trans-69.2142.3172.5-61.9-60.2-6000110.8N366 S395 E397N366-M408 HydrophobicContact CB-SD 3.81Å; S395-M408 VanDerWaalsContact CB-CE 3.47Å; E397-M408 HydrophobicContact CB-SD 3.82Å
409L97.9Very high97.8Very high35 Ų3547.4 Ų47.418%0.18326%0.259CS..  trans-122.8-168.7-180-61.9179.8000110.7Y382 M396 R398Y382-L409 HydrophobicContact CD1-CD1 3.74Å; Y382-L409 HydrophobicContact CE1-CD1 3.42Å; Y382-L409 VanDerWaalsContact CE1-CD1 3.42Å; M396-L409 HydrophobicContact CE-CB 3.89Å; M396-L409 HydrophobicContact CE-CD1 3.72Å; M396-L409 HydrophobicContact CE-CG 4.48Å; M396-L409 PolarHBondContact O-N 2.84Å; R398-L409 HydrophobicContact CB-CD1 3.91Å; R398-L409 HydrophobicContact CG-CD1 4.02Å; R398-L409 HydrophobicContact CG-CD2 4.45Å; R398-L409 HydrophobicContact CG-CG 4.36Å
410G95.3Very high97.8Very high25 Ų2547.5 Ų47.526%0.25826%0.262SS..PPolyproline II helixtrans-62.9144.8176.400000112.8W453G410-W453 PolarHBondContact O-NE1 2.83Å
411D98.2Very high97.8Very high83 Ų8346.5 Ų46.544%0.44426%0.256SS..PPolyproline II helixtrans-87142-178.6-85.228.1000112T394 S395T394-D411 PolarHBondContact OG1-OD2 3.45Å; S395-D411 VanDerWaalsContact CA-OD1 3.31Å; S395-D411 WeakPolarHBondContact CA-OD1 3.27Å; S395-D411 WeakPolarHBondContact CB-OD1 3.41Å
412M98.3Very high97.9Very high6 Ų646 Ų463%0.0325%0.253CS..PPolyproline II helixtrans-62.5157.2163.9-65-179.9-62.800110.5S384 T394 R416 C430 W453S384-M412 WeakPolarHBondContact OG-CE 3.31Å; S384-M412 PolarHBondContact OG-SD 3.08Å; T394-M412 VanDerWaalsContact CB-O 3.32Å; T394-M412 WeakPolarHBondContact CB-O 3.24Å; T394-M412 WeakPolarHBondContact CG2-O 3.27Å; T394-M412 PolarHBondContact O-N 2.85Å; M412-R416 HydrophobicContact CE-CB 4.37Å; M412-R416 HydrophobicContact CE-CG 4.42Å; M412-C430 HydrophobicContact SD-CB 3.69Å; M412-C430 PolarHBondContact SD-SG 3.46Å; M412-W453 HydrophobicContact CB-CD2 4.43Å; M412-W453 HydrophobicContact CG-CD2 3.54Å; M412-W453 VanDerWaalsContact CG-CE2 3.44Å; M412-W453 HydrophobicContact CG-CE3 3.83Å; M412-W453 HydrophobicContact CG-CG 4.1Å; M412-W453 HydrophobicContact CG-CH2 3.94Å; M412-W453 HydrophobicContact CG-CZ2 3.64Å; M412-W453 HydrophobicContact CG-CZ3 4.02Å; M412-W453 HydrophobicContact SD-CH2 4.08Å; M412-W453 HydrophobicContact SD-CZ2 4.25Å; M412-W453 HydrophobicContact SD-CZ3 4.26Å
413Q97.9Very high98Very high122 Ų12241.3 Ų41.357%0.5723%0.229SC*.SBendtrans-70.9-37.8174.9-60-179.424.400111.6E444 N455Q413-E444 WeakPolarHBondContact CB-OE2 3.17Å; Q413-E444 PolarHBondContact N-OE2 3.48Å; Q413-N455 PolarHBondContact OE1-ND2 3.19Å
414T98Very high97.9Very high41 Ų4136.7 Ų36.725%0.25221%0.205SC..SBendtrans-113.1135.4-177.6-50.60000110.7D435 L440 E444T414-D435 HydrophobicContact CG2-CB 4.09Å; T414-L440 HydrophobicContact CG2-CD1 3.8Å; T414-L440 HydrophobicContact CG2-CD2 4.39Å; T414-E444 PolarHBondContact N-OE1 3.25Å
415A98.4Very high97.5Very high22 Ų2238 Ų3818%0.18222%0.22CC..  trans-71.1138.2172.800000110.3R392 H393 T394 D435R392-A415 HydrophobicContact CB-CB 3.9Å; R392-A415 WeakPolarHBondContact O-CB 3.35Å; H393-A415 WeakPolarHBondContact O-CA 3.31Å; T394-A415 HydrophobicContact CG2-CB 4.01Å; A415-D435 VanDerWaalsContact O-CA 3.29Å; A415-D435 WeakPolarHBondContact O-CA 3.48Å; A415-D435 VanDerWaalsContact O-CB 3.3Å; A415-D435 WeakPolarHBondContact O-CB 3.46Å
416R98.4Very high97.2Very high1 Ų134 Ų340%0.00421%0.209CC..  trans-139.6129.2-172.7-61.4172.1-173.1-92.80.6111.4G385 G386 H393 M412 A419 C430 G432 L440 S442 E444G385-R416 CarbonylContact C-O 3.58Å; G385-R416 WeakPolarHBondContact CA-O 3.21Å; G386-R416 PolarHBondContact N-O 3.21Å; H393-R416 PolarHBondContact O-N 3.42Å; H393-R416 VanDerWaalsContact O-N 3.15Å; M412-R416 HydrophobicContact CE-CB 4.37Å; M412-R416 HydrophobicContact CE-CG 4.42Å; R416-A419 HydrophobicContact CB-CB 3.91Å; R416-C430 VanDerWaalsContact CD-SG 3.55Å; R416-G432 PolarHBondContact NH1-O 3.24Å; R416-L440 HydrophobicContact CG-CD1 3.87Å; R416-S442 PolarHBondContact NH1-O 3.28Å; R416-S442 PolarHBondContact NH1-OG 2.74Å; R416-S442 PolarHBondContact NH2-OG 2.86Å; R416-E444 IonicContact CZ-OE1 3.43Å; R416-E444 IonicContact NE-OE1 3.25Å; R416-E444 PolarHBondContact NE-OE1 3.49Å; R416-E444 IonicContact NH2-OE1 2.75Å; R416-E444 PolarHBondContact NH2-OE1 2.89Å
417E97.9Very high97.2Very high21 Ų2134.2 Ų34.210%0.09821%0.213CC..BIsolated β-bridgetrans-115.514715776.1-179.8149.300110.8L371 F387 R392 A419 G433 Y434L371-E417 HydrophobicContact CB-CB 4.24Å; F387-E417 HydrophobicContact CB-CB 4.14Å; F387-E417 WeakPolarHBondContact CB-OE2 3.21Å; F387-E417 WeakPolarHBondContact CG-OE2 3.37Å; R392-E417 HydrophobicContact CG-CB 4.11Å; R392-E417 HydrophobicContact CG-CG 4.12Å; R392-E417 IonicContact CZ-OE1 3.17Å; R392-E417 IonicContact NE-OE1 2.68Å; R392-E417 PolarHBondContact NE-OE1 2.87Å; R392-E417 IonicContact NE-OE2 3.41Å; R392-E417 IonicContact NH2-OE1 2.79Å; R392-E417 PolarHBondContact NH2-OE1 2.74Å; E417-A419 PolarHBondContact O-N 2.83Å; E417-G433 CarbonylContact O-C 3.49Å; E417-G433 WeakPolarHBondContact O-CA 3.24Å; E417-Y434 HydrophobicContact CG-CD1 4.23Å; E417-Y434 PolarHBondContact N-O 2.77Å; E417-Y434 PolarHBondContact O-N 2.94Å; E417-Y434 WeakPolarHBondContact OE1-CD1 3.41Å
418G97.9Very high97.2Very high8 Ų831.9 Ų31.98%0.08220%0.196CC..SBendtrans6823.9-179.200000113.1L371 G465L371-G418 PolarHBondContact O-N 3.32Å; G418-G465 PolarHBondContact O-N 2.79Å
419A98.4Very high97.3Very high13 Ų1328.4 Ų28.411%0.10718%0.178CC..  trans-83.9151.2170.800000110.4R416 E417 L431 G432R416-A419 HydrophobicContact CB-CB 3.91Å; E417-A419 PolarHBondContact O-N 2.83Å; A419-L431 WeakPolarHBondContact CA-O 3.38Å; A419-L431 WeakPolarHBondContact CB-O 3.44Å; A419-G432 WeakPolarHBondContact CB-O 3.38Å
420G98.2Very high97.3Very high7 Ų726.8 Ų26.87%0.07217%0.17CC..EExtended strand (participates in β ladder)trans-82.3143.316900000111.1C430 L431 V468G420-C430 CarbonylContact O-C 3.41Å; G420-C430 VanDerWaalsContact O-CA 3.29Å; G420-C430 WeakPolarHBondContact O-CA 3.31Å; G420-L431 PolarHBondContact N-O 3.41Å; G420-L431 PolarHBondContact O-N 3.15Å; G420-V468 VanDerWaalsContact CA-CG2 3.41Å
421L98.6Very high97.5Very high10 Ų1025.8 Ų25.85%0.05216%0.159CC..EExtended strand (participates in β ladder)trans-125.5130172.7-165.275.8000109G373 T375 I428 Y429 C430 W453G373-L421 WeakPolarHBondContact O-CD2 3.23Å; T375-L421 HydrophobicContact CG2-CD2 3.79Å; T375-L421 HydrophobicContact CG2-CG 3.9Å; L421-I428 HydrophobicContact CD1-CG2 3.43Å; L421-I428 VanDerWaalsContact CD1-CG2 3.43Å; L421-I428 HydrophobicContact CD2-CG2 4.23Å; L421-I428 HydrophobicContact CG-CG2 3.74Å; L421-Y429 VanDerWaalsContact CA-O 3.31Å; L421-Y429 WeakPolarHBondContact CA-O 3.39Å; L421-C430 HydrophobicContact CD1-CB 3.79Å; L421-W453 HydrophobicContact CD1-CH2 4.17Å
422V98.5Very high97.5Very high11 Ų1121.9 Ų21.97%0.06714%0.138CC..EExtended strand (participates in β ladder)trans-149.7149.3-176.967.20000110.8I428 Y429 L431 V468 L470 I475V422-I428 CarbonylContact O-C 3.47Å; V422-Y429 PolarHBondContact N-O 3.37Å; V422-Y429 PolarHBondContact O-N 2.77Å; V422-L431 HydrophobicContact CG1-CD1 3.82Å; V422-V468 HydrophobicContact CB-CG2 4.19Å; V422-L470 HydrophobicContact CG2-CB 3.89Å; V422-I475 HydrophobicContact CG1-CB 4.48Å; V422-I475 HydrophobicContact CG1-CD1 3.83Å; V422-I475 HydrophobicContact CG1-CG1 3.99Å; V422-I475 HydrophobicContact CG1-CG2 3.7Å
423V97.8Very high97.5Very high26 Ų2621.6 Ų21.616%0.15814%0.137CC..EExtended strand (participates in β ladder)trans-97.7136.2173.9163.50000110.5T375 T376 L377 V427 I428 L470T375-V423 HydrophobicContact CG2-CG2 3.63Å; T375-V423 PolarHBondContact OG1-N 3.47Å; T376-V423 VanDerWaalsContact O-CG2 3.31Å; T376-V423 WeakPolarHBondContact O-CG2 3.39Å; L377-V423 HydrophobicContact CB-CG2 3.94Å; L377-V423 HydrophobicContact CD1-CG1 3.74Å; L377-V423 HydrophobicContact CD1-CG2 4.5Å; V423-V427 CarbonylContact C-O 3.42Å; V423-V427 WeakPolarHBondContact CA-O 3.31Å; V423-I428 HydrophobicContact CG2-CB 4.42Å; V423-I428 HydrophobicContact CG2-CG1 3.56Å; V423-L470 VanDerWaalsContact O-CD2 3.27Å; V423-L470 WeakPolarHBondContact O-CD2 3.27Å
424A94.5Very high97.5Very high0 Ų019 Ų190%012%0.122CC..EExtended strand (participates in β ladder)trans-143.5127.2170.400000111.2G426 V427 Y429 L470 I475 I495A424-G426 VanDerWaalsContact C-N 3.27Å; A424-G426 PolarHBondContact O-N 2.88Å; A424-V427 PolarHBondContact N-O 3.5Å; A424-V427 WeakPolarHBondContact O-CB 3.35Å; A424-V427 PolarHBondContact O-N 2.96Å; A424-Y429 HydrophobicContact CB-CD2 4.17Å; A424-Y429 HydrophobicContact CB-CE2 3.91Å; A424-L470 HydrophobicContact CB-CD1 3.76Å; A424-L470 HydrophobicContact CB-CD2 3.86Å; A424-L470 HydrophobicContact CB-CG 4.38Å; A424-I475 HydrophobicContact CB-CD1 4.12Å; A424-I475 HydrophobicContact CB-CG1 4.31Å; A424-I495 HydrophobicContact CB-CD1 3.91Å; A424-I495 HydrophobicContact CB-CG2 3.9Å
425S90Very high97.5Very high96 Ų9619.1 Ų19.167%0.67112%0.122SC*.THydrogen-bonded Turntrans48.644.8-179.3-53.90000113.8V427 I495S425-V427 VanDerWaalsContact C-N 3.27Å; S425-V427 PolarHBondContact O-N 3.01Å; S425-I495 VanDerWaalsContact OG-CD1 3.29Å; S425-I495 WeakPolarHBondContact OG-CD1 3.43Å
426G92.7Very high97.4Very high29 Ų2919.2 Ų19.230%0.29912%0.124SC..THydrogen-bonded Turntrans76.85.717900000115.6A424 P448A424-G426 VanDerWaalsContact C-N 3.27Å; A424-G426 PolarHBondContact O-N 2.88Å; G426-P448 WeakPolarHBondContact O-CD 3.49Å
427V98Very high97.4Very high28 Ų2826.1 Ų26.117%0.1716%0.16CC..EExtended strand (participates in β ladder)trans-116.8141.7-178.8176.50000109.2V423 A424 S425 Y429 K445 Y446V423-V427 CarbonylContact C-O 3.42Å; V423-V427 WeakPolarHBondContact CA-O 3.31Å; A424-V427 PolarHBondContact N-O 3.5Å; A424-V427 WeakPolarHBondContact O-CB 3.35Å; A424-V427 PolarHBondContact O-N 2.96Å; S425-V427 VanDerWaalsContact C-N 3.27Å; S425-V427 PolarHBondContact O-N 3.01Å; V427-Y429 HydrophobicContact CB-CE2 3.89Å; V427-Y429 HydrophobicContact CG1-CD2 4.22Å; V427-Y429 HydrophobicContact CG1-CE2 3.68Å; V427-K445 HydrophobicContact CG1-CB 3.75Å; V427-K445 HydrophobicContact CG1-CD 4.06Å; V427-K445 HydrophobicContact CG1-CG 4.16Å; V427-Y446 VanDerWaalsContact CG1-O 3.28Å; V427-Y446 WeakPolarHBondContact CG1-O 3.39Å
428I98.7Very high97.4Very high0 Ų029.7 Ų29.70%018%0.18CC..EExtended strand (participates in β ladder)trans-96.7131178.1-61.9164.5000109.2T375 L377 Y382 M396 L421 V422 V423 K445 Y446 W453T375-I428 HydrophobicContact CG2-CG1 4.32Å; T375-I428 HydrophobicContact CG2-CG2 4.1Å; L377-I428 HydrophobicContact CD2-CD1 4.45Å; L377-I428 HydrophobicContact CD2-CG1 4.43Å; Y382-I428 HydrophobicContact CD1-CD1 3.35Å; Y382-I428 HydrophobicContact CD2-CD1 4.03Å; Y382-I428 HydrophobicContact CE1-CD1 3.77Å; Y382-I428 HydrophobicContact CE2-CD1 4.42Å; Y382-I428 HydrophobicContact CG-CD1 3.49Å; Y382-I428 VanDerWaalsContact CG-CD1 3.49Å; M396-I428 HydrophobicContact SD-CD1 4.18Å; L421-I428 HydrophobicContact CD1-CG2 3.43Å; L421-I428 VanDerWaalsContact CD1-CG2 3.43Å; L421-I428 HydrophobicContact CD2-CG2 4.23Å; L421-I428 HydrophobicContact CG-CG2 3.74Å; V422-I428 CarbonylContact O-C 3.47Å; V423-I428 HydrophobicContact CG2-CB 4.42Å; V423-I428 HydrophobicContact CG2-CG1 3.56Å; I428-K445 CarbonylContact O-C 3.57Å; I428-K445 WeakPolarHBondContact O-CA 3.39Å; I428-Y446 HydrophobicContact CD1-CD1 4.1Å; I428-Y446 PolarHBondContact N-O 2.9Å; I428-Y446 PolarHBondContact O-N 2.88Å; I428-W453 HydrophobicContact CG2-CH2 4.26Å
429Y98.8Very high97.4Very high12 Ų1230.8 Ų30.85%0.04718%0.184CC..EExtended strand (participates in β ladder)trans-113133.2177.7-68.6-102.4000110.3L421 V422 A424 V427 V443 E444 K445 V456 I475 Y493L421-Y429 VanDerWaalsContact CA-O 3.31Å; L421-Y429 WeakPolarHBondContact CA-O 3.39Å; V422-Y429 PolarHBondContact N-O 3.37Å; V422-Y429 PolarHBondContact O-N 2.77Å; A424-Y429 HydrophobicContact CB-CD2 4.17Å; A424-Y429 HydrophobicContact CB-CE2 3.91Å; V427-Y429 HydrophobicContact CB-CE2 3.89Å; V427-Y429 HydrophobicContact CG1-CD2 4.22Å; V427-Y429 HydrophobicContact CG1-CE2 3.68Å; Y429-V443 HydrophobicContact CD1-CG1 4.36Å; Y429-E444 CarbonylContact C-O 3.57Å; Y429-E444 WeakPolarHBondContact CA-O 3.24Å; Y429-K445 HydrophobicContact CD1-CB 3.71Å; Y429-K445 HydrophobicContact CE1-CB 3.65Å; Y429-K445 HydrophobicContact CE1-CD 4.06Å; Y429-K445 HydrophobicContact CE1-CG 4.45Å; Y429-K445 HydrophobicContact CG-CB 4.2Å; Y429-V456 HydrophobicContact CE1-CG1 4.46Å; Y429-I475 HydrophobicContact CD1-CD1 3.94Å; Y429-I475 HydrophobicContact CD2-CD1 3.61Å; Y429-I475 HydrophobicContact CE1-CD1 4.41Å; Y429-I475 HydrophobicContact CE2-CD1 4.12Å; Y429-I475 HydrophobicContact CG-CD1 3.51Å; Y429-Y493 HydrophobicContact CD1-CE1 4.37Å; Y429-Y493 AromaticContact CE1-CE1 3.8Å; Y429-Y493 HydrophobicContact CE1-CE1 3.8Å
430C98.7Very high97.4Very high2 Ų231 Ų311%0.01418%0.183CC..EExtended strand (participates in β ladder)trans-115.1120.6174.1-168.40000109.9M412 R416 G420 L421 V443 E444 W453M412-C430 HydrophobicContact SD-CB 3.69Å; M412-C430 PolarHBondContact SD-SG 3.46Å; R416-C430 VanDerWaalsContact CD-SG 3.55Å; G420-C430 CarbonylContact O-C 3.41Å; G420-C430 VanDerWaalsContact O-CA 3.29Å; G420-C430 WeakPolarHBondContact O-CA 3.31Å; L421-C430 HydrophobicContact CD1-CB 3.79Å; C430-V443 WeakPolarHBondContact O-CA 3.42Å; C430-E444 PolarHBondContact N-O 3.12Å; C430-E444 PolarHBondContact O-N 2.93Å; C430-W453 HydrophobicContact CB-CH2 4Å; C430-W453 HydrophobicContact CB-CZ3 3.75Å
431L98.7Very high97.4Very high4 Ų433.7 Ų33.72%0.02120%0.196CC..EExtended strand (participates in β ladder)trans-121.3122.3-164.5-52.8100.6000111.7A419 G420 V422 V443 V468 I475 V477 W500A419-L431 WeakPolarHBondContact CA-O 3.38Å; A419-L431 WeakPolarHBondContact CB-O 3.44Å; G420-L431 PolarHBondContact N-O 3.41Å; G420-L431 PolarHBondContact O-N 3.15Å; V422-L431 HydrophobicContact CG1-CD1 3.82Å; L431-V443 HydrophobicContact CB-CG2 4.24Å; L431-V443 HydrophobicContact CD2-CG1 3.93Å; L431-V443 HydrophobicContact CD2-CG2 4.13Å; L431-V443 HydrophobicContact CG-CG1 3.83Å; L431-V443 HydrophobicContact CG-CG2 4.26Å; L431-V468 HydrophobicContact CB-CG1 4.49Å; L431-V468 HydrophobicContact CD1-CG1 4.22Å; L431-I475 HydrophobicContact CD1-CG2 4.13Å; L431-I475 HydrophobicContact CD2-CG2 3.75Å; L431-V477 HydrophobicContact CB-CG2 4.44Å; L431-V477 HydrophobicContact CD2-CG2 3.75Å; L431-W500 HydrophobicContact CD2-CH2 3.68Å; L431-W500 HydrophobicContact CD2-CZ2 4.14Å
432G98.6Very high97.4Very high1 Ų134.5 Ų34.51%0.0120%0.203CC..  trans65.6-139.8174.100000113.6R416 A419 L440 S442R416-G432 PolarHBondContact NH1-O 3.24Å; A419-G432 WeakPolarHBondContact CB-O 3.38Å; G432-L440 WeakPolarHBondContact CA-O 3.48Å; G432-S442 PolarHBondContact N-O 2.83Å; G432-S442 VanDerWaalsContact N-O 3.13Å
433G98.5Very high97.5Very high0 Ų034 Ų340%020%0.2CC..  trans95.4-164-175.800000113.5E417 L440 R463E417-G433 CarbonylContact O-C 3.49Å; E417-G433 WeakPolarHBondContact O-CA 3.24Å; G433-L440 PolarHBondContact O-N 3.33Å; G433-R463 PolarHBondContact N-O 3.2Å
434Y98.6Very high97.5Very high66 Ų6632.8 Ų32.826%0.25919%0.192SC..BIsolated β-bridgetrans-132.8131.3-178.5178.5-123.8000110E417 G436 N438 I439E417-Y434 HydrophobicContact CG-CD1 4.23Å; E417-Y434 PolarHBondContact N-O 2.77Å; E417-Y434 PolarHBondContact O-N 2.94Å; E417-Y434 WeakPolarHBondContact OE1-CD1 3.41Å; Y434-G436 VanDerWaalsContact CE1-CA 3.41Å; Y434-G436 VanDerWaalsContact CZ-CA 3.41Å; Y434-G436 PolarHBondContact OH-O 3.25Å; Y434-N438 VanDerWaalsContact CD2-C 3.49Å; Y434-N438 VanDerWaalsContact CD2-O 3.26Å; Y434-N438 WeakPolarHBondContact CD2-O 3.38Å; Y434-I439 HydrophobicContact CD2-CD1 3.66Å; Y434-I439 HydrophobicContact CD2-CG1 4.35Å; Y434-I439 HydrophobicContact CE2-CD1 4.45Å; Y434-I439 HydrophobicContact CG-CD1 4.07Å
435D98Very high97.7Very high45 Ų4536.2 Ų36.224%0.24121%0.207CC..  trans-92.8-3.7-178.5666.1000113.8T414 A415 L437 N438 L440T414-D435 HydrophobicContact CG2-CB 4.09Å; A415-D435 VanDerWaalsContact O-CA 3.29Å; A415-D435 WeakPolarHBondContact O-CA 3.48Å; A415-D435 VanDerWaalsContact O-CB 3.3Å; A415-D435 WeakPolarHBondContact O-CB 3.46Å; D435-L437 WeakPolarHBondContact OD1-CA 3.46Å; D435-L437 PolarHBondContact OD1-N 3.04Å; D435-N438 PolarHBondContact N-O 2.92Å; D435-N438 PolarHBondContact OD1-N 3.49Å; D435-L440 HydrophobicContact CB-CD1 4.27Å; D435-L440 HydrophobicContact CB-CD2 4.44Å
436G96.8Very high98.1Very high23 Ų2332.2 Ų32.224%0.23718%0.177CC..SBendtrans102.4-7.6-171.200000114.3Y434Y434-G436 VanDerWaalsContact CE1-CA 3.41Å; Y434-G436 VanDerWaalsContact CZ-CA 3.41Å; Y434-G436 PolarHBondContact OH-O 3.25Å
437L97Very high98.3Very high146 Ų14633.1 Ų33.176%0.76418%0.175SC*.SBendtrans-131.8-47.5176.9-64.7175.6000111.6D435D435-L437 WeakPolarHBondContact OD1-CA 3.46Å; D435-L437 PolarHBondContact OD1-N 3.04Å
438N98.2Very high98.2Very high97 Ų9733.6 Ų33.652%0.51918%0.179SC..  trans-124.6137.8-173.6-57.2-70000111.5Y434 D435 L440Y434-N438 VanDerWaalsContact CD2-C 3.49Å; Y434-N438 VanDerWaalsContact CD2-O 3.26Å; Y434-N438 WeakPolarHBondContact CD2-O 3.38Å; D435-N438 PolarHBondContact N-O 2.92Å; D435-N438 PolarHBondContact OD1-N 3.49Å; N438-L440 HydrophobicContact CB-CD2 4.43Å
439I98.5Very high98Very high30 Ų3041.7 Ų41.715%0.15422%0.216CC..BIsolated β-bridgetrans-71.9132.4161.5-54.5-67.9000107.5Y434 K462 F481Y434-I439 HydrophobicContact CD2-CD1 3.66Å; Y434-I439 HydrophobicContact CD2-CG1 4.35Å; Y434-I439 HydrophobicContact CE2-CD1 4.45Å; Y434-I439 HydrophobicContact CG-CD1 4.07Å; I439-K462 HydrophobicContact CB-CB 4.45Å; I439-K462 HydrophobicContact CB-CD 4.12Å; I439-K462 HydrophobicContact CB-CG 4.28Å; I439-K462 HydrophobicContact CG2-CB 3.98Å; I439-K462 HydrophobicContact CG2-CD 4.45Å; I439-K462 HydrophobicContact CG2-CG 4.05Å; I439-K462 WeakPolarHBondContact O-CD 3.31Å; I439-F481 WeakPolarHBondContact CG2-O 3.42Å
440L98.7Very high97.9Very high18 Ų1845 Ų459%0.09424%0.238CC..  trans-101144.5-168-55.7173.1000111.6T414 R416 G432 G433 D435 N438 K462 R463T414-L440 HydrophobicContact CG2-CD1 3.8Å; T414-L440 HydrophobicContact CG2-CD2 4.39Å; R416-L440 HydrophobicContact CG-CD1 3.87Å; G432-L440 WeakPolarHBondContact CA-O 3.48Å; G433-L440 PolarHBondContact O-N 3.33Å; D435-L440 HydrophobicContact CB-CD1 4.27Å; D435-L440 HydrophobicContact CB-CD2 4.44Å; N438-L440 HydrophobicContact CB-CD2 4.43Å; L440-K462 WeakPolarHBondContact O-CA 3.44Å; L440-R463 PolarHBondContact O-N 3.27Å
441N98.5Very high97.8Very high63 Ų6346 Ų4634%0.33725%0.249SC..  trans-109.2-5.7163.269.1-28.3000112.5P458 M459 K462N441-P458 WeakPolarHBondContact O-CA 3.47Å; N441-P458 WeakPolarHBondContact O-CB 3.47Å; N441-M459 HydrophobicContact CB-CB 4.23Å; N441-M459 WeakPolarHBondContact CB-O 3.48Å; N441-M459 PolarHBondContact ND2-O 3.28Å; N441-M459 PolarHBondContact O-N 3.17Å; N441-K462 HydrophobicContact CB-CB 4.01Å
442S98.7Very high97.8Very high28 Ų2851.8 Ų51.820%0.19628%0.276CS..  trans-68.5148-178.760.50000111.3R416 G432R416-S442 PolarHBondContact NH1-O 3.28Å; R416-S442 PolarHBondContact NH1-OG 2.74Å; R416-S442 PolarHBondContact NH2-OG 2.86Å; G432-S442 PolarHBondContact N-O 2.83Å; G432-S442 VanDerWaalsContact N-O 3.13Å
443V98.8Very high97.8Very high1 Ų152.6 Ų52.61%0.00628%0.279CS..EExtended strand (participates in β ladder)trans-129.8132.8179.7-178.20000109.1Y429 C430 L431 V456 M459 W500Y429-V443 HydrophobicContact CD1-CG1 4.36Å; C430-V443 WeakPolarHBondContact O-CA 3.42Å; L431-V443 HydrophobicContact CB-CG2 4.24Å; L431-V443 HydrophobicContact CD2-CG1 3.93Å; L431-V443 HydrophobicContact CD2-CG2 4.13Å; L431-V443 HydrophobicContact CG-CG1 3.83Å; L431-V443 HydrophobicContact CG-CG2 4.26Å; V443-V456 HydrophobicContact CB-CG2 3.71Å; V443-V456 HydrophobicContact CG1-CG2 3.51Å; V443-V456 PolarHBondContact O-N 3.09Å; V443-M459 HydrophobicContact CG2-CE 4.41Å; V443-M459 HydrophobicContact CG2-CG 4.22Å; V443-W500 HydrophobicContact CG2-CZ2 3.9Å
444E98.7Very high97.8Very high0 Ų055.6 Ų55.60%030%0.297CS..EExtended strand (participates in β ladder)trans-119.3140.5178.4-72.5178.8-105.600109.3Q413 T414 R416 Y429 C430 W453 T454 N455Q413-E444 WeakPolarHBondContact CB-OE2 3.17Å; Q413-E444 PolarHBondContact N-OE2 3.48Å; T414-E444 PolarHBondContact N-OE1 3.25Å; R416-E444 IonicContact CZ-OE1 3.43Å; R416-E444 IonicContact NE-OE1 3.25Å; R416-E444 PolarHBondContact NE-OE1 3.49Å; R416-E444 IonicContact NH2-OE1 2.75Å; R416-E444 PolarHBondContact NH2-OE1 2.89Å; Y429-E444 CarbonylContact C-O 3.57Å; Y429-E444 WeakPolarHBondContact CA-O 3.24Å; C430-E444 PolarHBondContact N-O 3.12Å; C430-E444 PolarHBondContact O-N 2.93Å; E444-W453 HydrophobicContact CB-CE3 3.73Å; E444-W453 HydrophobicContact CB-CZ3 4.25Å; E444-T454 CarbonylContact C-O 3.54Å; E444-T454 WeakPolarHBondContact CA-O 3.35Å; E444-N455 WeakPolarHBondContact CG-OD1 3.31Å
445K98.4Very high97.7Very high72 Ų7256.8 Ų56.831%0.31331%0.308SS..EExtended strand (participates in β ladder)trans-116.4139.5172.474.7176.4174-177.80110.9V427 I428 Y429 W453 T454 V456V427-K445 HydrophobicContact CG1-CB 3.75Å; V427-K445 HydrophobicContact CG1-CD 4.06Å; V427-K445 HydrophobicContact CG1-CG 4.16Å; I428-K445 CarbonylContact O-C 3.57Å; I428-K445 WeakPolarHBondContact O-CA 3.39Å; Y429-K445 HydrophobicContact CD1-CB 3.71Å; Y429-K445 HydrophobicContact CE1-CB 3.65Å; Y429-K445 HydrophobicContact CE1-CD 4.06Å; Y429-K445 HydrophobicContact CE1-CG 4.45Å; Y429-K445 HydrophobicContact CG-CB 4.2Å; K445-W453 CarbonylContact O-C 3.54Å; K445-W453 VanDerWaalsContact O-CA 3.26Å; K445-W453 WeakPolarHBondContact O-CA 3.36Å; K445-T454 WeakPolarHBondContact CE-OG1 3.46Å; K445-T454 VanDerWaalsContact CG-OG1 3.28Å; K445-T454 WeakPolarHBondContact CG-OG1 3.41Å; K445-T454 PolarHBondContact N-O 3.42Å; K445-T454 PolarHBondContact O-N 2.78Å; K445-T454 PolarHBondContact O-OG1 2.88Å; K445-V456 HydrophobicContact CB-CG1 4.3Å; K445-V456 HydrophobicContact CD-CG1 3.57Å; K445-V456 HydrophobicContact CG-CG1 3.83Å
446Y98.7Very high97.8Very high11 Ų1155.4 Ų55.44%0.04330%0.301CS..EExtended strand (participates in β ladder)trans-107.6124.5176.1177.4-99.1000109.9M396 V427 I428 P448 G451 H452 W453M396-Y446 HydrophobicContact CE-CD1 3.54Å; M396-Y446 HydrophobicContact CE-CD2 3.57Å; M396-Y446 HydrophobicContact CE-CE1 3.48Å; M396-Y446 VanDerWaalsContact CE-CE1 3.48Å; M396-Y446 HydrophobicContact CE-CE2 3.52Å; M396-Y446 HydrophobicContact CE-CG 3.56Å; M396-Y446 VanDerWaalsContact CE-CZ 3.47Å; V427-Y446 VanDerWaalsContact CG1-O 3.28Å; V427-Y446 WeakPolarHBondContact CG1-O 3.39Å; I428-Y446 HydrophobicContact CD1-CD1 4.1Å; I428-Y446 PolarHBondContact N-O 2.9Å; I428-Y446 PolarHBondContact O-N 2.88Å; Y446-P448 HydrophobicContact CD1-CG 4.07Å; Y446-P448 VanDerWaalsContact CE1-CA 3.49Å; Y446-P448 HydrophobicContact CE1-CB 4.03Å; Y446-P448 HydrophobicContact CE1-CG 4.02Å; Y446-P448 WeakPolarHBondContact O-CD 3.31Å; Y446-G451 WeakPolarHBondContact CE2-O 3.18Å; Y446-H452 WeakPolarHBondContact CA-O 3.31Å; Y446-W453 AromaticContact CD2-CD1 3.64Å; Y446-W453 HydrophobicContact CD2-CD2 4.05Å; Y446-W453 AromaticContact CD2-CE2 3.73Å; Y446-W453 HydrophobicContact CD2-CG 4.03Å; Y446-W453 HydrophobicContact CD2-CZ2 4.35Å; Y446-W453 AromaticContact CD2-NE1 3.45Å; Y446-W453 HydrophobicContact CG-CD2 4.3Å; Y446-W453 HydrophobicContact CG-CZ2 4.25Å
447D97.4Very high97.9Very high48 Ų4856.9 Ų56.926%0.25731%0.305SS..EExtended strand (participates in β ladder)trans-96.2112.1170.8176.52.6000109.6H449 T450 G451 H452D447-H449 PolarHBondContact O-N 2.64Å; D447-H449 WeakPolarHBondContact OD1-CB 2.89Å; D447-H449 IonicContact OD1-CG 3.39Å; D447-H449 PolarHBondContact OD1-N 2.99Å; D447-H449 IonicContact OD1-ND1 3.77Å; D447-H449 PolarHBondContact OD1-ND1 2.96Å; D447-T450 WeakPolarHBondContact CB-OG1 3.28Å; D447-T450 PolarHBondContact O-N 3.35Å; D447-T450 PolarHBondContact O-OG1 3.33Å; D447-T450 WeakPolarHBondContact OD2-CG2 3.4Å; D447-T450 PolarHBondContact OD2-OG1 3.04Å; D447-G451 WeakPolarHBondContact O-CA 3.27Å; D447-G451 PolarHBondContact O-N 2.99Å; D447-H452 PolarHBondContact N-O 2.81Å; D447-H452 VanDerWaalsContact N-O 3.14Å
448P95.6Very high97.9Very high38 Ų3852.9 Ų52.925%0.24729%0.289CS..THydrogen-bonded Turntrans-61.2-24.1179.3-20.431.1000114.7L377 G426 Y446L377-P448 HydrophobicContact CD2-CB 4.36Å; L377-P448 HydrophobicContact CD2-CG 3.43Å; L377-P448 VanDerWaalsContact CD2-CG 3.43Å; G426-P448 WeakPolarHBondContact O-CD 3.49Å; Y446-P448 HydrophobicContact CD1-CG 4.07Å; Y446-P448 VanDerWaalsContact CE1-CA 3.49Å; Y446-P448 HydrophobicContact CE1-CB 4.03Å; Y446-P448 HydrophobicContact CE1-CG 4.02Å; Y446-P448 WeakPolarHBondContact O-CD 3.31Å
449H94.4Very high98Very high170 Ų17048.4 Ų48.479%0.78726%0.264SS*.THydrogen-bonded Turntrans-74.9-38.2-179.7-53.889.2000111.5D447D447-H449 PolarHBondContact O-N 2.64Å; D447-H449 WeakPolarHBondContact OD1-CB 2.89Å; D447-H449 IonicContact OD1-CG 3.39Å; D447-H449 PolarHBondContact OD1-N 2.99Å; D447-H449 IonicContact OD1-ND1 3.77Å; D447-H449 PolarHBondContact OD1-ND1 2.96Å
450T96.8Very high97.9Very high81 Ų8151 Ų5150%0.49729%0.29SS..THydrogen-bonded Turntrans-93.1-22.4178.562.90000112.4D447 H452D447-T450 WeakPolarHBondContact CB-OG1 3.28Å; D447-T450 PolarHBondContact O-N 3.35Å; D447-T450 PolarHBondContact O-OG1 3.33Å; D447-T450 WeakPolarHBondContact OD2-CG2 3.4Å; D447-T450 PolarHBondContact OD2-OG1 3.04Å; T450-H452 VanDerWaalsContact C-N 3.32Å; T450-H452 PolarHBondContact O-CE1 3.13Å; T450-H452 VanDerWaalsContact O-CE1 3.31Å; T450-H452 PolarHBondContact O-ND1 3.47Å
451G96.7Very high97.9Very high25 Ų2552.1 Ų52.126%0.25830%0.298SS..THydrogen-bonded Turntrans74.917.2-176.600000114.4Y446 D447Y446-G451 WeakPolarHBondContact CE2-O 3.18Å; D447-G451 WeakPolarHBondContact O-CA 3.27Å; D447-G451 PolarHBondContact O-N 2.99Å
452H97.7Very high97.9Very high125 Ų12553.4 Ų53.458%0.57930%0.301SS*.EExtended strand (participates in β ladder)trans-116.8147-173.4-68.483.8000113.1Y446 D447 T450Y446-H452 WeakPolarHBondContact CA-O 3.31Å; D447-H452 PolarHBondContact N-O 2.81Å; D447-H452 VanDerWaalsContact N-O 3.14Å; T450-H452 VanDerWaalsContact C-N 3.32Å; T450-H452 PolarHBondContact O-CE1 3.13Å; T450-H452 VanDerWaalsContact O-CE1 3.31Å; T450-H452 PolarHBondContact O-ND1 3.47Å
453W98.7Very high97.9Very high17 Ų1752.2 Ų52.26%0.06429%0.292CS..EExtended strand (participates in β ladder)trans-91.5140.2167.9-68.489.5000111.3M396 G410 M412 L421 I428 C430 E444 K445 Y446M396-W453 HydrophobicContact CB-CZ2 4.17Å; M396-W453 HydrophobicContact CE-CZ2 3.79Å; M396-W453 HydrophobicContact CG-CZ2 4.45Å; M396-W453 HydrophobicContact SD-CH2 4.25Å; M396-W453 HydrophobicContact SD-CZ2 3.58Å; M396-W453 VanDerWaalsContact SD-CZ2 3.58Å; G410-W453 PolarHBondContact O-NE1 2.83Å; M412-W453 HydrophobicContact CB-CD2 4.43Å; M412-W453 HydrophobicContact CG-CD2 3.54Å; M412-W453 VanDerWaalsContact CG-CE2 3.44Å; M412-W453 HydrophobicContact CG-CE3 3.83Å; M412-W453 HydrophobicContact CG-CG 4.1Å; M412-W453 HydrophobicContact CG-CH2 3.94Å; M412-W453 HydrophobicContact CG-CZ2 3.64Å; M412-W453 HydrophobicContact CG-CZ3 4.02Å; M412-W453 HydrophobicContact SD-CH2 4.08Å; M412-W453 HydrophobicContact SD-CZ2 4.25Å; M412-W453 HydrophobicContact SD-CZ3 4.26Å; L421-W453 HydrophobicContact CD1-CH2 4.17Å; I428-W453 HydrophobicContact CG2-CH2 4.26Å; C430-W453 HydrophobicContact CB-CH2 4Å; C430-W453 HydrophobicContact CB-CZ3 3.75Å; E444-W453 HydrophobicContact CB-CE3 3.73Å; E444-W453 HydrophobicContact CB-CZ3 4.25Å; K445-W453 CarbonylContact O-C 3.54Å; K445-W453 VanDerWaalsContact O-CA 3.26Å; K445-W453 WeakPolarHBondContact O-CA 3.36Å; Y446-W453 AromaticContact CD2-CD1 3.64Å; Y446-W453 HydrophobicContact CD2-CD2 4.05Å; Y446-W453 AromaticContact CD2-CE2 3.73Å; Y446-W453 HydrophobicContact CD2-CG 4.03Å; Y446-W453 HydrophobicContact CD2-CZ2 4.35Å; Y446-W453 AromaticContact CD2-NE1 3.45Å; Y446-W453 HydrophobicContact CG-CD2 4.3Å; Y446-W453 HydrophobicContact CG-CZ2 4.25Å
454T98.3Very high97.9Very high63 Ų6352.7 Ų52.739%0.38730%0.295SS..EExtended strand (participates in β ladder)trans-136.1142.5176.453.10000110.5E444 K445E444-T454 CarbonylContact C-O 3.54Å; E444-T454 WeakPolarHBondContact CA-O 3.35Å; K445-T454 WeakPolarHBondContact CE-OG1 3.46Å; K445-T454 VanDerWaalsContact CG-OG1 3.28Å; K445-T454 WeakPolarHBondContact CG-OG1 3.41Å; K445-T454 PolarHBondContact N-O 3.42Å; K445-T454 PolarHBondContact O-N 2.78Å; K445-T454 PolarHBondContact O-OG1 2.88Å
455N98.4Very high97.9Very high92 Ų9253 Ų5349%0.49230%0.299SS..EExtended strand (participates in β ladder)trans-71.3144.5174.3-68.2-24.1000110.2Q413 E444Q413-N455 PolarHBondContact OE1-ND2 3.19Å; E444-N455 WeakPolarHBondContact CG-OD1 3.31Å
456V98.3Very high97.9Very high15 Ų1550.3 Ų50.39%0.09129%0.29CS..EExtended strand (participates in β ladder)trans-120.1-178.1167.1-60.50000110Y429 V443 K445 Y493Y429-V456 HydrophobicContact CE1-CG1 4.46Å; V443-V456 HydrophobicContact CB-CG2 3.71Å; V443-V456 HydrophobicContact CG1-CG2 3.51Å; V443-V456 PolarHBondContact O-N 3.09Å; K445-V456 HydrophobicContact CB-CG1 4.3Å; K445-V456 HydrophobicContact CD-CG1 3.57Å; K445-V456 HydrophobicContact CG-CG1 3.83Å; V456-Y493 HydrophobicContact CG2-CE2 4.48Å
457T98.6Very high97.9Very high54 Ų5450 Ų5033%0.33129%0.29SS..PPolyproline II helixtrans-55.8127.1179.4-58.40000110.3D498 W500T457-D498 WeakPolarHBondContact CB-OD1 3.38Å; T457-D498 PolarHBondContact N-OD1 3.07Å; T457-D498 PolarHBondContact OG1-O 2.84Å; T457-D498 PolarHBondContact OG1-OD1 3.09Å; T457-D498 PolarHBondContact OG1-OD2 2.71Å; T457-W500 PolarHBondContact O-NE1 3.46Å
458P98.7Very high97.9Very high63 Ų6348.7 Ų48.741%0.40928%0.284SS..PPolyproline II helixtrans-73.2158.1-179.631.3-36.2000111.7N441 W500N441-P458 WeakPolarHBondContact O-CA 3.47Å; N441-P458 WeakPolarHBondContact O-CB 3.47Å; P458-W500 PolarHBondContact O-NE1 2.89Å
459M98.6Very high98.1Very high2 Ų247.2 Ų47.21%0.0128%0.275CS..PPolyproline II helixtrans-62.3154170.2-65.5174.7-65.600110.9N441 V443 T461 V477 W500N441-M459 HydrophobicContact CB-CB 4.23Å; N441-M459 WeakPolarHBondContact CB-O 3.48Å; N441-M459 PolarHBondContact ND2-O 3.28Å; N441-M459 PolarHBondContact O-N 3.17Å; V443-M459 HydrophobicContact CG2-CE 4.41Å; V443-M459 HydrophobicContact CG2-CG 4.22Å; M459-T461 WeakPolarHBondContact CB-O 3.2Å; M459-V477 HydrophobicContact SD-CB 4.02Å; M459-V477 HydrophobicContact SD-CG1 3.79Å; M459-V477 HydrophobicContact SD-CG2 3.81Å; M459-W500 HydrophobicContact CB-CZ2 4.49Å; M459-W500 HydrophobicContact CG-CD2 4.14Å; M459-W500 HydrophobicContact CG-CE3 4.16Å; M459-W500 HydrophobicContact CG-CH2 3.36Å; M459-W500 HydrophobicContact CG-CZ2 3.36Å; M459-W500 HydrophobicContact CG-CZ3 3.78Å; M459-W500 HydrophobicContact SD-CH2 3.98Å; M459-W500 HydrophobicContact SD-CZ2 4.45Å; M459-W500 HydrophobicContact SD-CZ3 4.41Å
460A98.3Very high98.1Very high85 Ų8541.8 Ų41.870%0.70225%0.251SS*.SBendtrans-68.8-38.7172.500000110.9E491A460-E491 WeakPolarHBondContact CB-OE2 2.99Å; A460-E491 PolarHBondContact N-OE2 3.46Å
461T98.6Very high97.8Very high42 Ų4238.3 Ų38.326%0.25823%0.229SC..SBendtrans-105.9136178.6-40.30000110.8M459 D482 L487 E491M459-T461 WeakPolarHBondContact CB-O 3.2Å; T461-D482 HydrophobicContact CG2-CB 4.26Å; T461-L487 HydrophobicContact CG2-CD1 3.99Å; T461-E491 WeakPolarHBondContact CB-OE1 3.46Å; T461-E491 PolarHBondContact N-OE1 2.99Å; T461-E491 PolarHBondContact OG1-OE1 3.07Å
462K98.6Very high97.2Very high89 Ų8942.4 Ų42.439%0.38725%0.246SC..  trans-74.3138.3169.762.4-174.5166.6131.90110.5I439 L440 N441 D482I439-K462 HydrophobicContact CB-CB 4.45Å; I439-K462 HydrophobicContact CB-CD 4.12Å; I439-K462 HydrophobicContact CB-CG 4.28Å; I439-K462 HydrophobicContact CG2-CB 3.98Å; I439-K462 HydrophobicContact CG2-CD 4.45Å; I439-K462 HydrophobicContact CG2-CG 4.05Å; I439-K462 WeakPolarHBondContact O-CD 3.31Å; L440-K462 WeakPolarHBondContact O-CA 3.44Å; N441-K462 HydrophobicContact CB-CB 4.01Å; K462-D482 WeakPolarHBondContact CD-O 3.42Å; K462-D482 WeakPolarHBondContact CE-O 3.35Å; K462-D482 HydrophobicContact CG-CB 4.09Å; K462-D482 PolarHBondContact NZ-O 3.47Å; K462-D482 WeakPolarHBondContact O-CA 3.32Å; K462-D482 VanDerWaalsContact O-CB 3.29Å; K462-D482 WeakPolarHBondContact O-CB 3.5Å
463R98.6Very high96.6Very high3 Ų339.4 Ų39.41%0.01123%0.234CC..  trans-144.5129.7-171.4-60.1175.1-176.9-94.1-0.6111G433 L440 A466 G479 L487 S489 E491G433-R463 PolarHBondContact N-O 3.2Å; L440-R463 PolarHBondContact O-N 3.27Å; R463-A466 HydrophobicContact CB-CB 4.1Å; R463-G479 PolarHBondContact NH1-O 3.22Å; R463-L487 HydrophobicContact CG-CD1 3.88Å; R463-S489 PolarHBondContact NH1-O 3.18Å; R463-S489 PolarHBondContact NH1-OG 2.8Å; R463-S489 PolarHBondContact NH2-OG 3.14Å; R463-E491 IonicContact CZ-OE1 3.4Å; R463-E491 IonicContact NE-OE1 3.13Å; R463-E491 PolarHBondContact NE-OE1 3.45Å; R463-E491 VanDerWaalsContact NE-OE1 3.13Å; R463-E491 IonicContact NH2-OE1 2.8Å; R463-E491 PolarHBondContact NH2-OE1 2.87Å
464S98.4Very high96.4Very high11 Ų1140.9 Ų40.98%0.07724%0.241CC..BIsolated β-bridgetrans-122.5144.4163.5-1770000110.2A466 G480 F481S464-A466 VanDerWaalsContact C-N 3.28Å; S464-A466 PolarHBondContact O-N 3.16Å; S464-G480 CarbonylContact O-C 3.6Å; S464-G480 WeakPolarHBondContact O-CA 3.24Å; S464-F481 PolarHBondContact N-O 3.07Å; S464-F481 PolarHBondContact O-N 2.8Å
465G98Very high96.4Very high7 Ų737.9 Ų37.97%0.07222%0.223CC..SBendtrans67.727.7-175.700000113.1G418 Y512 V513G418-G465 PolarHBondContact O-N 2.79Å; G465-Y512 VanDerWaalsContact O-CA 3.31Å; G465-Y512 WeakPolarHBondContact O-CA 3.49Å; G465-Y512 PolarHBondContact O-N 2.92Å; G465-V513 PolarHBondContact O-N 3.49Å
466A98.6Very high96.4Very high15 Ų1534.2 Ų34.212%0.12420%0.202CC..  trans-82148173.200000110.7R463 S464 V477 V478R463-A466 HydrophobicContact CB-CB 4.1Å; S464-A466 VanDerWaalsContact C-N 3.28Å; S464-A466 PolarHBondContact O-N 3.16Å; A466-V477 HydrophobicContact CB-CG1 3.7Å; A466-V478 WeakPolarHBondContact CA-O 3.43Å; A466-V478 WeakPolarHBondContact CB-O 3.48Å
467G98.3Very high96.4Very high5 Ų533.6 Ų33.65%0.05220%0.198CC..EExtended strand (participates in β ladder)trans-81.9146.3168.300000110V478 V513G467-V478 PolarHBondContact N-O 2.91Å; G467-V478 PolarHBondContact O-N 3.21Å; G467-V513 WeakPolarHBondContact CA-O 3.33Å; G467-V513 VanDerWaalsContact N-CG1 3.32Å
468V98.6Very high96.4Very high20 Ų2031 Ų3112%0.12118%0.183CC..EExtended strand (participates in β ladder)trans-133143.6175.5-60.20000111.9G420 V422 L431 Y476 V477G420-V468 VanDerWaalsContact CA-CG2 3.41Å; V422-V468 HydrophobicContact CB-CG2 4.19Å; L431-V468 HydrophobicContact CB-CG1 4.49Å; L431-V468 HydrophobicContact CD1-CG1 4.22Å; V468-Y476 VanDerWaalsContact CA-O 3.24Å; V468-Y476 WeakPolarHBondContact CA-O 3.48Å; V468-V477 HydrophobicContact CG1-CB 4.38Å; V468-V477 HydrophobicContact CG1-CG1 4.1Å; V468-V477 HydrophobicContact CG1-CG2 4.04Å
469A98Very high96.4Very high7 Ų728 Ų286%0.05816%0.163CC..EExtended strand (participates in β ladder)trans-154.5153.417100000111.5Y476 V517 L522A469-Y476 PolarHBondContact N-O 3.4Å; A469-Y476 PolarHBondContact O-N 2.79Å; A469-V517 HydrophobicContact CB-CG2 3.94Å; A469-L522 HydrophobicContact CB-CD1 3.73Å
470L96.1Very high96.4Very high57 Ų5727.9 Ų27.930%0.29816%0.163SC..EExtended strand (participates in β ladder)trans-93.8128.1174.2175.471.1000110V422 V423 A424 I475 V517V422-L470 HydrophobicContact CG2-CB 3.89Å; V423-L470 VanDerWaalsContact O-CD2 3.27Å; V423-L470 WeakPolarHBondContact O-CD2 3.27Å; A424-L470 HydrophobicContact CB-CD1 3.76Å; A424-L470 HydrophobicContact CB-CD2 3.86Å; A424-L470 HydrophobicContact CB-CG 4.38Å; L470-I475 HydrophobicContact CD1-CG1 4.03Å; L470-V517 VanDerWaalsContact O-CG2 3.31Å; L470-V517 WeakPolarHBondContact O-CG2 3.34Å
471L90.4Very high96.4Very high7 Ų726.9 Ų26.94%0.03714%0.143CC..EExtended strand (participates in β ladder)trans-142.1122.6172.9-179.956.3000110D473 H474 Y476 V517 L522 P542L471-D473 PolarHBondContact O-N 3.24Å; L471-H474 PolarHBondContact N-O 3.28Å; L471-H474 WeakPolarHBondContact O-CB 3.45Å; L471-H474 PolarHBondContact O-N 3.38Å; L471-Y476 HydrophobicContact CB-CD2 4.03Å; L471-Y476 HydrophobicContact CB-CE2 3.73Å; L471-Y476 HydrophobicContact CD2-CE2 4.43Å; L471-Y476 HydrophobicContact CG-CE2 4.38Å; L471-V517 HydrophobicContact CB-CG2 3.84Å; L471-V517 HydrophobicContact CD1-CG1 3.9Å; L471-V517 HydrophobicContact CD1-CG2 4.33Å; L471-V517 HydrophobicContact CD2-CG2 4.43Å; L471-V517 HydrophobicContact CG-CG2 4.44Å; L471-L522 HydrophobicContact CD2-CB 4.13Å; L471-P542 HydrophobicContact CD2-CB 4.05Å; L471-P542 HydrophobicContact CD2-CG 3.67Å; L471-P542 HydrophobicContact CG-CG 4.27Å
472N84.1Confident96.4Very high112 Ų11226.5 Ų26.560%0.59914%0.139SC*.THydrogen-bonded Turntrans49.857.3176-59.6-22.2000113.9H474N472-H474 PolarHBondContact O-N 3.14Å; N472-H474 VanDerWaalsContact O-N 3.07Å; N472-H474 PolarHBondContact O-ND1 3.48Å
473D83.9Confident96.3Very high62 Ų6224.1 Ų24.133%0.33214%0.14SC..THydrogen-bonded Turntrans61.77.5-176.1-67.4-20.5000115.7L471 I495L471-D473 PolarHBondContact O-N 3.24Å; D473-I495 HydrophobicContact CB-CD1 4.05Å; D473-I495 HydrophobicContact CB-CG1 4.13Å; D473-I495 WeakPolarHBondContact O-CG1 3.41Å; D473-I495 PolarHBondContact O-N 3.04Å
474H94.6Very high96.3Very high48 Ų4829.8 Ų29.822%0.22218%0.175CC..EExtended strand (participates in β ladder)trans-113127.2177.5-64.873.4000110.9L471 N472 Y476 A492 Y493 N494L471-H474 PolarHBondContact N-O 3.28Å; L471-H474 WeakPolarHBondContact O-CB 3.45Å; L471-H474 PolarHBondContact O-N 3.38Å; N472-H474 PolarHBondContact O-N 3.14Å; N472-H474 VanDerWaalsContact O-N 3.07Å; N472-H474 PolarHBondContact O-ND1 3.48Å; H474-Y476 HydrophobicContact CB-CD2 4.22Å; H474-Y476 HydrophobicContact CB-CE2 3.58Å; H474-Y476 WeakPolarHBondContact O-CD2 3.36Å; H474-A492 HydrophobicContact CB-CB 4.44Å; H474-Y493 CarbonylContact C-O 3.57Å; H474-Y493 VanDerWaalsContact CA-O 3.24Å; H474-Y493 WeakPolarHBondContact CA-O 3.26Å; H474-N494 PolarHBondContact CE1-ND2 2.77Å; H474-N494 PolarHBondContact NE2-ND2 2.84Å; H474-N494 VanDerWaalsContact NE2-ND2 3.11Å
475I98.5Very high96.2Very high0 Ų031.4 Ų31.40%019%0.189CC..EExtended strand (participates in β ladder)trans-86.8115.9169.4-62.6170.2000107.7V422 A424 Y429 L431 L470 A492 Y493 I495V422-I475 HydrophobicContact CG1-CB 4.48Å; V422-I475 HydrophobicContact CG1-CD1 3.83Å; V422-I475 HydrophobicContact CG1-CG1 3.99Å; V422-I475 HydrophobicContact CG1-CG2 3.7Å; A424-I475 HydrophobicContact CB-CD1 4.12Å; A424-I475 HydrophobicContact CB-CG1 4.31Å; Y429-I475 HydrophobicContact CD1-CD1 3.94Å; Y429-I475 HydrophobicContact CD2-CD1 3.61Å; Y429-I475 HydrophobicContact CE1-CD1 4.41Å; Y429-I475 HydrophobicContact CE2-CD1 4.12Å; Y429-I475 HydrophobicContact CG-CD1 3.51Å; L431-I475 HydrophobicContact CD1-CG2 4.13Å; L431-I475 HydrophobicContact CD2-CG2 3.75Å; L470-I475 HydrophobicContact CD1-CG1 4.03Å; I475-A492 CarbonylContact O-C 3.44Å; I475-A492 WeakPolarHBondContact O-CA 3.43Å; I475-Y493 HydrophobicContact CD1-CD1 4.16Å; I475-Y493 PolarHBondContact N-O 3.06Å; I475-Y493 PolarHBondContact O-N 3.2Å; I475-I495 HydrophobicContact CD1-CG2 3.82Å; I475-I495 HydrophobicContact CG1-CG2 3.94Å
476Y98.6Very high96.2Very high14 Ų1433.7 Ų33.76%0.05520%0.198CC..EExtended strand (participates in β ladder)trans-91.8135.4176.4-68.7-99.4000110V468 A469 L471 H474 V490 E491 A492 V503 L522 Y540V468-Y476 VanDerWaalsContact CA-O 3.24Å; V468-Y476 WeakPolarHBondContact CA-O 3.48Å; A469-Y476 PolarHBondContact N-O 3.4Å; A469-Y476 PolarHBondContact O-N 2.79Å; L471-Y476 HydrophobicContact CB-CD2 4.03Å; L471-Y476 HydrophobicContact CB-CE2 3.73Å; L471-Y476 HydrophobicContact CD2-CE2 4.43Å; L471-Y476 HydrophobicContact CG-CE2 4.38Å; H474-Y476 HydrophobicContact CB-CD2 4.22Å; H474-Y476 HydrophobicContact CB-CE2 3.58Å; H474-Y476 WeakPolarHBondContact O-CD2 3.36Å; Y476-V490 HydrophobicContact CD1-CG1 4.16Å; Y476-E491 CarbonylContact C-O 3.5Å; Y476-E491 WeakPolarHBondContact CA-O 3.37Å; Y476-A492 HydrophobicContact CD1-CB 3.89Å; Y476-A492 HydrophobicContact CE1-CB 3.75Å; Y476-A492 HydrophobicContact CG-CB 4.44Å; Y476-V503 HydrophobicContact CD1-CG2 4.39Å; Y476-V503 HydrophobicContact CE1-CG1 4.27Å; Y476-V503 HydrophobicContact CE1-CG2 4.34Å; Y476-L522 HydrophobicContact CD1-CD2 3.85Å; Y476-L522 HydrophobicContact CD2-CD2 4.49Å; Y476-L522 HydrophobicContact CG-CD2 3.75Å; Y476-Y540 HydrophobicContact CD1-CE1 4.31Å; Y476-Y540 HydrophobicContact CE1-CD1 4.18Å; Y476-Y540 AromaticContact CE1-CE1 3.5Å; Y476-Y540 HydrophobicContact CE1-CE1 3.5Å; Y476-Y540 AromaticContact CZ-CE1 3.96Å
477V98.8Very high96.2Very high2 Ų233.8 Ų33.81%0.01220%0.196CC..EExtended strand (participates in β ladder)trans-118.3111.9174-171.30000108.8L431 M459 A466 V468 V490 E491 W500L431-V477 HydrophobicContact CB-CG2 4.44Å; L431-V477 HydrophobicContact CD2-CG2 3.75Å; M459-V477 HydrophobicContact SD-CB 4.02Å; M459-V477 HydrophobicContact SD-CG1 3.79Å; M459-V477 HydrophobicContact SD-CG2 3.81Å; A466-V477 HydrophobicContact CB-CG1 3.7Å; V468-V477 HydrophobicContact CG1-CB 4.38Å; V468-V477 HydrophobicContact CG1-CG1 4.1Å; V468-V477 HydrophobicContact CG1-CG2 4.04Å; V477-V490 WeakPolarHBondContact O-CA 3.47Å; V477-E491 PolarHBondContact N-O 2.8Å; V477-E491 PolarHBondContact O-N 3.22Å; V477-E491 VanDerWaalsContact O-N 3.14Å; V477-W500 HydrophobicContact CG2-CH2 3.68Å; V477-W500 HydrophobicContact CG2-CZ3 3.81Å
478V98.7Very high96.2Very high0 Ų035.2 Ų35.20%021%0.205CC..EExtended strand (participates in β ladder)trans-107.8117.7-164.4-177.30000110.4A466 G467 V490 M506 V513 A515 L522 A524 W547A466-V478 WeakPolarHBondContact CA-O 3.43Å; A466-V478 WeakPolarHBondContact CB-O 3.48Å; G467-V478 PolarHBondContact N-O 2.91Å; G467-V478 PolarHBondContact O-N 3.21Å; V478-V490 HydrophobicContact CG1-CG2 4.18Å; V478-V490 HydrophobicContact CG2-CG1 4.01Å; V478-M506 HydrophobicContact CG1-CE 3.66Å; V478-M506 HydrophobicContact CG1-CG 4.36Å; V478-M506 HydrophobicContact CG1-SD 3.31Å; V478-M506 WeakPolarHBondContact CG1-SD 3.2Å; V478-V513 VanDerWaalsContact O-CG1 3.27Å; V478-V513 WeakPolarHBondContact O-CG1 3.2Å; V478-A515 HydrophobicContact CB-CB 4.36Å; V478-A515 HydrophobicContact CG2-CB 4.18Å; V478-L522 HydrophobicContact CG2-CD1 4.39Å; V478-L522 HydrophobicContact CG2-CD2 3.82Å; V478-L522 HydrophobicContact CG2-CG 4.44Å; V478-A524 HydrophobicContact CG1-CB 3.89Å; V478-W547 HydrophobicContact CG1-CH2 4.19Å; V478-W547 HydrophobicContact CG2-CH2 4.45Å
479G98.6Very high96.2Very high0 Ų035.6 Ų35.60%021%0.208CC..  trans61.9-136.9174.500000113.7R463 L487 S489R463-G479 PolarHBondContact NH1-O 3.22Å; G479-L487 VanDerWaalsContact CA-O 3.26Å; G479-L487 WeakPolarHBondContact CA-O 3.29Å; G479-S489 PolarHBondContact N-O 2.8Å
480G98.5Very high96.3Very high0 Ų035.2 Ų35.20%021%0.206CC..  trans95.9-166-173.500000113.1S464 L487 R510S464-G480 CarbonylContact O-C 3.6Å; S464-G480 WeakPolarHBondContact O-CA 3.24Å; G480-L487 WeakPolarHBondContact O-CB 3.45Å; G480-L487 PolarHBondContact O-N 2.86Å; G480-R510 PolarHBondContact N-O 2.79Å
481F98.5Very high96.4Very high64 Ų6432.6 Ų32.628%0.28119%0.192SC..BIsolated β-bridgetrans-126.4133.2178.3-178.2-114.4000110.1I439 S464 A485 C511I439-F481 WeakPolarHBondContact CG2-O 3.42Å; S464-F481 PolarHBondContact N-O 3.07Å; S464-F481 PolarHBondContact O-N 2.8Å; F481-A485 VanDerWaalsContact CD2-C 3.44Å; F481-A485 WeakPolarHBondContact CD2-O 3.37Å; F481-C511 HydrophobicContact CB-CB 4.35Å
482D98.2Very high96.8Very high33 Ų3332.3 Ų32.318%0.17619%0.191CC..  trans-95.8-0.7-178.569.40.9000114T461 K462 T484 A485 L487T461-D482 HydrophobicContact CG2-CB 4.26Å; K462-D482 WeakPolarHBondContact CD-O 3.42Å; K462-D482 WeakPolarHBondContact CE-O 3.35Å; K462-D482 HydrophobicContact CG-CB 4.09Å; K462-D482 PolarHBondContact NZ-O 3.47Å; K462-D482 WeakPolarHBondContact O-CA 3.32Å; K462-D482 VanDerWaalsContact O-CB 3.29Å; K462-D482 WeakPolarHBondContact O-CB 3.5Å; D482-T484 WeakPolarHBondContact OD1-CA 3.29Å; D482-T484 WeakPolarHBondContact OD1-CB 3.21Å; D482-T484 PolarHBondContact OD1-N 3.1Å; D482-A485 PolarHBondContact N-O 3.17Å; D482-A485 PolarHBondContact OD1-N 3.02Å; D482-L487 HydrophobicContact CB-CD1 4.18Å; D482-L487 HydrophobicContact CB-CD2 4.33Å
483G96.9Very high97.5Very high40 Ų4027.1 Ų27.141%0.41216%0.163SC..SBendtrans101.9-12.2-171.500000114.1
484T97.1Very high98Very high122 Ų12225.7 Ų25.775%0.74816%0.155SC*.SBendtrans-126.9-47.2179.6-47.70000111.5D482D482-T484 WeakPolarHBondContact OD1-CA 3.29Å; D482-T484 WeakPolarHBondContact OD1-CB 3.21Å; D482-T484 PolarHBondContact OD1-N 3.1Å
485A97.8Very high98Very high44 Ų4424.4 Ų24.436%0.36415%0.149SC..  trans-131.3150-17300000112.4F481 D482F481-A485 VanDerWaalsContact CD2-C 3.44Å; F481-A485 WeakPolarHBondContact CD2-O 3.37Å; D482-A485 PolarHBondContact N-O 3.17Å; D482-A485 PolarHBondContact OD1-N 3.02Å
486H98.3Very high97.6Very high56 Ų5631.1 Ų31.126%0.25918%0.175SC..BIsolated β-bridgetrans-76.5131.2165.6-6368.4000107.4P509 C511 Y528H486-P509 HydrophobicContact CB-CB 4.1Å; H486-C511 PolarHBondContact CD2-SG 3.33Å; H486-Y528 AromaticContact CD2-CD1 3.82Å; H486-Y528 AromaticContact NE2-CD1 3.38Å; H486-Y528 WeakPolarHBondContact NE2-CD1 3.39Å; H486-Y528 AromaticContact NE2-CE1 3.52Å
487L98.6Very high97.4Very high17 Ų1734.6 Ų34.69%0.08920%0.197CC..  trans-100.3137.5-167.7-57175.2000111.3T461 R463 G479 G480 D482 P509 R510T461-L487 HydrophobicContact CG2-CD1 3.99Å; R463-L487 HydrophobicContact CG-CD1 3.88Å; G479-L487 VanDerWaalsContact CA-O 3.26Å; G479-L487 WeakPolarHBondContact CA-O 3.29Å; G480-L487 WeakPolarHBondContact O-CB 3.45Å; G480-L487 PolarHBondContact O-N 2.86Å; D482-L487 HydrophobicContact CB-CD1 4.18Å; D482-L487 HydrophobicContact CB-CD2 4.33Å; L487-P509 WeakPolarHBondContact O-CA 3.31Å; L487-R510 PolarHBondContact O-N 3.21Å
488S98.4Very high97.3Very high35 Ų3537.7 Ų37.725%0.24521%0.214CC..  trans-99.7-12161.357.90000112.7S505 M506S488-S505 WeakPolarHBondContact O-CA 3.38Å; S488-S505 WeakPolarHBondContact O-CB 3.4Å; S488-M506 WeakPolarHBondContact CB-O 3.41Å; S488-M506 PolarHBondContact O-N 3.2Å
489S98.6Very high97.2Very high27 Ų2739.9 Ų39.919%0.18923%0.229CC..  trans-68.2149.9-177.6640000111.9R463 G479R463-S489 PolarHBondContact NH1-O 3.18Å; R463-S489 PolarHBondContact NH1-OG 2.8Å; R463-S489 PolarHBondContact NH2-OG 3.14Å; G479-S489 PolarHBondContact N-O 2.8Å
490V98.8Very high97.2Very high0 Ų041.8 Ų41.80%024%0.237CC..EExtended strand (participates in β ladder)trans-132.1134.5-178.3-175.60000109Y476 V477 V478 V503 M506 W547Y476-V490 HydrophobicContact CD1-CG1 4.16Å; V477-V490 WeakPolarHBondContact O-CA 3.47Å; V478-V490 HydrophobicContact CG1-CG2 4.18Å; V478-V490 HydrophobicContact CG2-CG1 4.01Å; V490-V503 HydrophobicContact CB-CG2 3.63Å; V490-V503 HydrophobicContact CG1-CG2 3.6Å; V490-V503 PolarHBondContact O-N 3.06Å; V490-V503 VanDerWaalsContact O-N 3.13Å; V490-M506 HydrophobicContact CG2-CG 4.23Å; V490-W547 HydrophobicContact CG1-CZ2 4.48Å; V490-W547 HydrophobicContact CG2-CZ2 3.79Å
491E98.7Very high97.2Very high2 Ų245.3 Ų45.31%0.00926%0.258CS..EExtended strand (participates in β ladder)trans-118.2137.6177.3-71.5174.8-111.700109.4A460 T461 R463 Y476 V477 W500 T501A460-E491 WeakPolarHBondContact CB-OE2 2.99Å; A460-E491 PolarHBondContact N-OE2 3.46Å; T461-E491 WeakPolarHBondContact CB-OE1 3.46Å; T461-E491 PolarHBondContact N-OE1 2.99Å; T461-E491 PolarHBondContact OG1-OE1 3.07Å; R463-E491 IonicContact CZ-OE1 3.4Å; R463-E491 IonicContact NE-OE1 3.13Å; R463-E491 PolarHBondContact NE-OE1 3.45Å; R463-E491 VanDerWaalsContact NE-OE1 3.13Å; R463-E491 IonicContact NH2-OE1 2.8Å; R463-E491 PolarHBondContact NH2-OE1 2.87Å; Y476-E491 CarbonylContact C-O 3.5Å; Y476-E491 WeakPolarHBondContact CA-O 3.37Å; V477-E491 PolarHBondContact N-O 2.8Å; V477-E491 PolarHBondContact O-N 3.22Å; V477-E491 VanDerWaalsContact O-N 3.14Å; E491-W500 HydrophobicContact CB-CE3 3.7Å; E491-W500 HydrophobicContact CB-CZ3 3.89Å; E491-T501 CarbonylContact C-O 3.58Å; E491-T501 WeakPolarHBondContact CA-O 3.4Å
492A98.4Very high97.2Very high1 Ų147 Ų471%0.00827%0.274CS..EExtended strand (participates in β ladder)trans-116.3121.9179.600000110H474 I475 Y476 W500 T501 V503H474-A492 HydrophobicContact CB-CB 4.44Å; I475-A492 CarbonylContact O-C 3.44Å; I475-A492 WeakPolarHBondContact O-CA 3.43Å; Y476-A492 HydrophobicContact CD1-CB 3.89Å; Y476-A492 HydrophobicContact CE1-CB 3.75Å; Y476-A492 HydrophobicContact CG-CB 4.44Å; A492-W500 CarbonylContact O-C 3.52Å; A492-W500 WeakPolarHBondContact O-CA 3.2Å; A492-T501 PolarHBondContact N-O 2.78Å; A492-T501 PolarHBondContact O-N 2.9Å; A492-T501 PolarHBondContact O-OG1 2.73Å; A492-V503 HydrophobicContact CB-CG1 3.93Å
493Y98.5Very high97.1Very high3 Ų346.4 Ų46.41%0.01227%0.271CS..EExtended strand (participates in β ladder)trans-98.3120.6177.5175.6-105.1000110.8Y429 V456 H474 I475 I495 D498 W500Y429-Y493 HydrophobicContact CD1-CE1 4.37Å; Y429-Y493 AromaticContact CE1-CE1 3.8Å; Y429-Y493 HydrophobicContact CE1-CE1 3.8Å; V456-Y493 HydrophobicContact CG2-CE2 4.48Å; H474-Y493 CarbonylContact C-O 3.57Å; H474-Y493 VanDerWaalsContact CA-O 3.24Å; H474-Y493 WeakPolarHBondContact CA-O 3.26Å; I475-Y493 HydrophobicContact CD1-CD1 4.16Å; I475-Y493 PolarHBondContact N-O 3.06Å; I475-Y493 PolarHBondContact O-N 3.2Å; Y493-I495 HydrophobicContact CD1-CG2 3.92Å; Y493-I495 HydrophobicContact CE1-CB 4.35Å; Y493-I495 HydrophobicContact CE1-CG2 4Å; Y493-I495 PolarHBondContact O-N 2.73Å; Y493-D498 HydrophobicContact CE2-CB 4.5Å; Y493-D498 VanDerWaalsContact CE2-OD1 3.31Å; Y493-D498 WeakPolarHBondContact CE2-OD1 3.28Å; Y493-D498 PolarHBondContact OH-OD1 2.81Å; Y493-W500 VanDerWaalsContact CB-CH2 3.46Å; Y493-W500 AromaticContact CD2-CD1 3.88Å; Y493-W500 AromaticContact CD2-CD2 3.95Å; Y493-W500 HydrophobicContact CD2-CD2 3.95Å; Y493-W500 AromaticContact CD2-CE2 3.47Å; Y493-W500 VanDerWaalsContact CD2-CE2 3.47Å; Y493-W500 HydrophobicContact CD2-CG 4.19Å; Y493-W500 AromaticContact CD2-CZ2 3.81Å; Y493-W500 HydrophobicContact CD2-CZ2 3.81Å; Y493-W500 AromaticContact CD2-NE1 3.41Å; Y493-W500 AromaticContact CE2-NE1 4Å; Y493-W500 HydrophobicContact CG-CD2 4.34Å; Y493-W500 AromaticContact CG-CE2 3.93Å; Y493-W500 HydrophobicContact CG-CH2 4.25Å; Y493-W500 AromaticContact CG-CZ2 3.87Å; Y493-W500 HydrophobicContact CG-CZ2 3.87Å
494N95.1Very high97.2Very high31 Ų3147.3 Ų47.317%0.16627%0.269CS..EExtended strand (participates in β ladder)trans-82.3111.8173.9-174.3-52.6000109.7H474 R496 T497 D498 S499H474-N494 PolarHBondContact CE1-ND2 2.77Å; H474-N494 PolarHBondContact NE2-ND2 2.84Å; H474-N494 VanDerWaalsContact NE2-ND2 3.11Å; N494-R496 PolarHBondContact O-N 3.35Å; N494-R496 VanDerWaalsContact O-N 3.11Å; N494-R496 WeakPolarHBondContact OD1-CA 3.38Å; N494-R496 VanDerWaalsContact OD1-CB 3.29Å; N494-R496 WeakPolarHBondContact OD1-CB 3.27Å; N494-R496 PolarHBondContact OD1-N 3.23Å; N494-T497 VanDerWaalsContact CB-OG1 3.31Å; N494-T497 WeakPolarHBondContact CB-OG1 3.41Å; N494-T497 VanDerWaalsContact CG-OG1 3.28Å; N494-T497 PolarHBondContact O-N 3.03Å; N494-T497 PolarHBondContact OD1-N 3.36Å; N494-T497 VanDerWaalsContact OD1-N 3.11Å; N494-T497 PolarHBondContact OD1-OG1 3Å; N494-D498 PolarHBondContact O-N 2.85Å; N494-S499 PolarHBondContact N-O 2.85Å
495I93.9Very high97.2Very high22 Ų2244 Ų4411%0.11325%0.25CS..THydrogen-bonded Turntrans-65.7-17.3-175.469.1-173000113.5A424 S425 D473 I475 Y493A424-I495 HydrophobicContact CB-CD1 3.91Å; A424-I495 HydrophobicContact CB-CG2 3.9Å; S425-I495 VanDerWaalsContact OG-CD1 3.29Å; S425-I495 WeakPolarHBondContact OG-CD1 3.43Å; D473-I495 HydrophobicContact CB-CD1 4.05Å; D473-I495 HydrophobicContact CB-CG1 4.13Å; D473-I495 WeakPolarHBondContact O-CG1 3.41Å; D473-I495 PolarHBondContact O-N 3.04Å; I475-I495 HydrophobicContact CD1-CG2 3.82Å; I475-I495 HydrophobicContact CG1-CG2 3.94Å; Y493-I495 HydrophobicContact CD1-CG2 3.92Å; Y493-I495 HydrophobicContact CE1-CB 4.35Å; Y493-I495 HydrophobicContact CE1-CG2 4Å; Y493-I495 PolarHBondContact O-N 2.73Å
496R90.2Very high97.2Very high140 Ų14042.2 Ų42.253%0.52824%0.235SC..THydrogen-bonded Turntrans-89.6-37.1-177.7-52.5-175.861.4102.629.5112.4N494N494-R496 PolarHBondContact O-N 3.35Å; N494-R496 VanDerWaalsContact O-N 3.11Å; N494-R496 WeakPolarHBondContact OD1-CA 3.38Å; N494-R496 VanDerWaalsContact OD1-CB 3.29Å; N494-R496 WeakPolarHBondContact OD1-CB 3.27Å; N494-R496 PolarHBondContact OD1-N 3.23Å
497T94.9Very high97.2Very high87 Ų8743.9 Ų43.953%0.53425%0.249SC..THydrogen-bonded Turntrans-100.5-5.8-176.758.50000113.3N494 S499N494-T497 VanDerWaalsContact CB-OG1 3.31Å; N494-T497 WeakPolarHBondContact CB-OG1 3.41Å; N494-T497 VanDerWaalsContact CG-OG1 3.28Å; N494-T497 PolarHBondContact O-N 3.03Å; N494-T497 PolarHBondContact OD1-N 3.36Å; N494-T497 VanDerWaalsContact OD1-N 3.11Å; N494-T497 PolarHBondContact OD1-OG1 3Å; T497-S499 VanDerWaalsContact C-N 3.29Å; T497-S499 PolarHBondContact O-N 2.9Å; T497-S499 PolarHBondContact OG1-OG 2.73Å
498D96.5Very high97.2Very high67 Ų6744.9 Ų44.936%0.35826%0.256SS..THydrogen-bonded Turntrans52.948.9-176.4-172.69000111.2T457 Y493 N494T457-D498 WeakPolarHBondContact CB-OD1 3.38Å; T457-D498 PolarHBondContact N-OD1 3.07Å; T457-D498 PolarHBondContact OG1-O 2.84Å; T457-D498 PolarHBondContact OG1-OD1 3.09Å; T457-D498 PolarHBondContact OG1-OD2 2.71Å; Y493-D498 HydrophobicContact CE2-CB 4.5Å; Y493-D498 VanDerWaalsContact CE2-OD1 3.31Å; Y493-D498 WeakPolarHBondContact CE2-OD1 3.28Å; Y493-D498 PolarHBondContact OH-OD1 2.81Å; N494-D498 PolarHBondContact O-N 2.85Å
499S97.7Very high97.2Very high46 Ų4645.3 Ų45.332%0.32226%0.258SS..EExtended strand (participates in β ladder)trans-140.6145.9-175.869.30000112.2N494 T497N494-S499 PolarHBondContact N-O 2.85Å; T497-S499 VanDerWaalsContact C-N 3.29Å; T497-S499 PolarHBondContact O-N 2.9Å; T497-S499 PolarHBondContact OG1-OG 2.73Å
500W98.6Very high97.2Very high41 Ų4144 Ų4416%0.15525%0.249CC..EExtended strand (participates in β ladder)trans-97.9148.3178.1-69.691000112.2L431 V443 T457 P458 M459 V477 E491 A492 Y493L431-W500 HydrophobicContact CD2-CH2 3.68Å; L431-W500 HydrophobicContact CD2-CZ2 4.14Å; V443-W500 HydrophobicContact CG2-CZ2 3.9Å; T457-W500 PolarHBondContact O-NE1 3.46Å; P458-W500 PolarHBondContact O-NE1 2.89Å; M459-W500 HydrophobicContact CB-CZ2 4.49Å; M459-W500 HydrophobicContact CG-CD2 4.14Å; M459-W500 HydrophobicContact CG-CE3 4.16Å; M459-W500 HydrophobicContact CG-CH2 3.36Å; M459-W500 HydrophobicContact CG-CZ2 3.36Å; M459-W500 HydrophobicContact CG-CZ3 3.78Å; M459-W500 HydrophobicContact SD-CH2 3.98Å; M459-W500 HydrophobicContact SD-CZ2 4.45Å; M459-W500 HydrophobicContact SD-CZ3 4.41Å; V477-W500 HydrophobicContact CG2-CH2 3.68Å; V477-W500 HydrophobicContact CG2-CZ3 3.81Å; E491-W500 HydrophobicContact CB-CE3 3.7Å; E491-W500 HydrophobicContact CB-CZ3 3.89Å; A492-W500 CarbonylContact O-C 3.52Å; A492-W500 WeakPolarHBondContact O-CA 3.2Å; Y493-W500 VanDerWaalsContact CB-CH2 3.46Å; Y493-W500 AromaticContact CD2-CD1 3.88Å; Y493-W500 AromaticContact CD2-CD2 3.95Å; Y493-W500 HydrophobicContact CD2-CD2 3.95Å; Y493-W500 AromaticContact CD2-CE2 3.47Å; Y493-W500 VanDerWaalsContact CD2-CE2 3.47Å; Y493-W500 HydrophobicContact CD2-CG 4.19Å; Y493-W500 AromaticContact CD2-CZ2 3.81Å; Y493-W500 HydrophobicContact CD2-CZ2 3.81Å; Y493-W500 AromaticContact CD2-NE1 3.41Å; Y493-W500 AromaticContact CE2-NE1 4Å; Y493-W500 HydrophobicContact CG-CD2 4.34Å; Y493-W500 AromaticContact CG-CE2 3.93Å; Y493-W500 HydrophobicContact CG-CH2 4.25Å; Y493-W500 AromaticContact CG-CZ2 3.87Å; Y493-W500 HydrophobicContact CG-CZ2 3.87Å
501T97.4Very high97.1Very high73 Ų7344.1 Ų44.145%0.44825%0.249SC..EExtended strand (participates in β ladder)trans-134.1144.216952.50000109.1E491 A492E491-T501 CarbonylContact C-O 3.58Å; E491-T501 WeakPolarHBondContact CA-O 3.4Å; A492-T501 PolarHBondContact N-O 2.78Å; A492-T501 PolarHBondContact O-N 2.9Å; A492-T501 PolarHBondContact O-OG1 2.73Å
502T98Very high97Very high101 Ų10147.6 Ų47.662%0.6226%0.263SS*.EExtended strand (participates in β ladder)trans-88.8131170.3-56.40000108.5
503V97.1Very high97Very high19 Ų1948 Ų4812%0.11527%0.266CS..EExtended strand (participates in β ladder)trans-106.3175.4175.8-57.80000110.1Y476 V490 A492 S505 Y540Y476-V503 HydrophobicContact CD1-CG2 4.39Å; Y476-V503 HydrophobicContact CE1-CG1 4.27Å; Y476-V503 HydrophobicContact CE1-CG2 4.34Å; V490-V503 HydrophobicContact CB-CG2 3.63Å; V490-V503 HydrophobicContact CG1-CG2 3.6Å; V490-V503 PolarHBondContact O-N 3.06Å; V490-V503 VanDerWaalsContact O-N 3.13Å; A492-V503 HydrophobicContact CB-CG1 3.93Å; V503-S505 PolarHBondContact O-N 3.46Å; V503-Y540 HydrophobicContact CB-CE2 4.5Å; V503-Y540 HydrophobicContact CG2-CE2 4.42Å
504T97.7Very high97Very high59 Ų5948.2 Ų48.236%0.36227%0.269SS..PPolyproline II helixtrans-55.2136.7177.7-68.10000110.6D545 W547T504-D545 VanDerWaalsContact CB-O 3.31Å; T504-D545 WeakPolarHBondContact CB-O 3.45Å; T504-D545 WeakPolarHBondContact CB-OD1 3.2Å; T504-D545 PolarHBondContact N-OD1 2.93Å; T504-D545 PolarHBondContact OG1-O 2.74Å; T504-D545 PolarHBondContact OG1-OD1 2.88Å; T504-D545 VanDerWaalsContact OG1-OD1 3.13Å; T504-D545 PolarHBondContact OG1-OD2 3.15Å; T504-W547 PolarHBondContact O-NE1 3.25Å
505S98.4Very high97.1Very high52 Ų5247.3 Ų47.336%0.36427%0.266SS..PPolyproline II helixtrans-78152.4-177.9-60.80000111.2S488 V503 W547S488-S505 WeakPolarHBondContact O-CA 3.38Å; S488-S505 WeakPolarHBondContact O-CB 3.4Å; V503-S505 PolarHBondContact O-N 3.46Å; S505-W547 VanDerWaalsContact C-CD1 3.48Å
506M98.4Very high97.3Very high7 Ų747.3 Ų47.33%0.03427%0.266CS..PPolyproline II helixtrans-59157.1168.2-62.8179-6500110.5V478 S488 V490 T508 R510 A524 W547V478-M506 HydrophobicContact CG1-CE 3.66Å; V478-M506 HydrophobicContact CG1-CG 4.36Å; V478-M506 HydrophobicContact CG1-SD 3.31Å; V478-M506 WeakPolarHBondContact CG1-SD 3.2Å; S488-M506 WeakPolarHBondContact CB-O 3.41Å; S488-M506 PolarHBondContact O-N 3.2Å; V490-M506 HydrophobicContact CG2-CG 4.23Å; M506-T508 VanDerWaalsContact C-N 3.35Å; M506-R510 HydrophobicContact CE-CB 4.11Å; M506-R510 HydrophobicContact CE-CG 4.01Å; M506-R510 HydrophobicContact SD-CG 4.23Å; M506-A524 HydrophobicContact SD-CB 3.47Å; M506-A524 WeakPolarHBondContact SD-CB 3.36Å; M506-W547 HydrophobicContact CB-CD2 4.49Å; M506-W547 HydrophobicContact CG-CD2 3.79Å; M506-W547 HydrophobicContact CG-CE3 4.01Å; M506-W547 HydrophobicContact CG-CG 4.45Å; M506-W547 HydrophobicContact CG-CH2 3.98Å; M506-W547 HydrophobicContact CG-CZ2 3.79Å; M506-W547 HydrophobicContact CG-CZ3 4.09Å; M506-W547 HydrophobicContact SD-CH2 4.35Å; M506-W547 HydrophobicContact SD-CZ3 4.5Å
507T97.4Very high97.4Very high92 Ų9242.4 Ų42.456%0.56425%0.252SS*.SBendtrans-70.5-33.5175.163.20000112E538T507-E538 WeakPolarHBondContact CB-OE2 3.38Å; T507-E538 PolarHBondContact N-OE2 3.44Å; T507-E538 PolarHBondContact OG1-OE1 2.87Å; T507-E538 PolarHBondContact OG1-OE2 2.88Å
508T97.8Very high97.2Very high37 Ų3738.3 Ų38.323%0.22723%0.227CC..SBendtrans-118.2134-179.8-51.50000110.3M506 R510 D529 L534 E538M506-T508 VanDerWaalsContact C-N 3.35Å; T508-R510 WeakPolarHBondContact O-CG 3.44Å; T508-D529 HydrophobicContact CG2-CB 4.12Å; T508-L534 HydrophobicContact CG2-CD1 3.95Å; T508-L534 HydrophobicContact CG2-CD2 4.22Å; T508-E538 PolarHBondContact N-OE1 2.92Å
509P98.4Very high96.4Very high44 Ų4436.8 Ų36.829%0.28622%0.216SC..  trans-62141.2169.9-22.333.9000111.9H486 L487 D529H486-P509 HydrophobicContact CB-CB 4.1Å; L487-P509 WeakPolarHBondContact O-CA 3.31Å; P509-D529 VanDerWaalsContact O-CA 3.31Å; P509-D529 WeakPolarHBondContact O-CA 3.31Å; P509-D529 VanDerWaalsContact O-CB 3.31Å; P509-D529 WeakPolarHBondContact O-CB 3.29Å
510R98.4Very high95.6Very high0 Ų036.3 Ų36.30%022%0.218CC..  trans-141.6124.6-179.1-49.3179.6174.7-103-1.7110.6G480 L487 M506 T508 V513 A526 L534 S536 E538G480-R510 PolarHBondContact N-O 2.79Å; L487-R510 PolarHBondContact O-N 3.21Å; M506-R510 HydrophobicContact CE-CB 4.11Å; M506-R510 HydrophobicContact CE-CG 4.01Å; M506-R510 HydrophobicContact SD-CG 4.23Å; T508-R510 WeakPolarHBondContact O-CG 3.44Å; R510-V513 HydrophobicContact CB-CB 3.71Å; R510-V513 HydrophobicContact CB-CG1 4.27Å; R510-V513 HydrophobicContact CB-CG2 3.77Å; R510-V513 HydrophobicContact CG-CG2 4.33Å; R510-A526 PolarHBondContact NH1-O 2.8Å; R510-L534 HydrophobicContact CB-CD1 4.5Å; R510-L534 HydrophobicContact CG-CD1 3.78Å; R510-S536 PolarHBondContact NH1-O 2.97Å; R510-S536 PolarHBondContact NH2-O 2.99Å; R510-S536 PolarHBondContact NH2-OG 3.01Å; R510-E538 IonicContact CZ-OE1 3.98Å; R510-E538 IonicContact NE-OE1 3.23Å; R510-E538 PolarHBondContact NE-OE1 2.68Å; R510-E538 VanDerWaalsContact NE-OE1 3.08Å; R510-E538 IonicContact NH2-OE1 3.69Å; R510-E538 PolarHBondContact NH2-OE1 3.13Å
511C97.4Very high95.2Very high2 Ų238.2 Ų38.21%0.01423%0.225CC..BIsolated β-bridgetrans-113.7158162.682.60000110.5F481 H486 V513 G527 Y528F481-C511 HydrophobicContact CB-CB 4.35Å; H486-C511 PolarHBondContact CD2-SG 3.33Å; C511-V513 PolarHBondContact O-N 3.41Å; C511-G527 CarbonylContact O-C 3.57Å; C511-G527 VanDerWaalsContact O-CA 3.27Å; C511-G527 WeakPolarHBondContact O-CA 3.47Å; C511-Y528 PolarHBondContact N-O 3.11Å; C511-Y528 PolarHBondContact O-N 2.87Å
512Y97.8Very high95.2Very high75 Ų7534.8 Ų34.829%0.29420%0.204SC..SBendtrans49.943-170.2-54.3-68.5000111.9L371 G465 D559L371-Y512 HydrophobicContact CD1-CE1 4.14Å; L371-Y512 HydrophobicContact CD2-CD1 3.96Å; L371-Y512 HydrophobicContact CD2-CE1 3.98Å; G465-Y512 VanDerWaalsContact O-CA 3.31Å; G465-Y512 WeakPolarHBondContact O-CA 3.49Å; G465-Y512 PolarHBondContact O-N 2.92Å; Y512-D559 WeakPolarHBondContact CB-OD1 3.37Å; Y512-D559 WeakPolarHBondContact CD1-OD1 3.43Å; Y512-D559 PolarHBondContact O-N 3.25Å; Y512-D559 VanDerWaalsContact O-N 3.16Å
513V97.9Very high95.2Very high11 Ų1130.9 Ų30.97%0.06718%0.178CC..  trans-89.7137.6-174.561.10000109.9G465 G467 V478 R510 C511 A524G465-V513 PolarHBondContact O-N 3.49Å; G467-V513 WeakPolarHBondContact CA-O 3.33Å; G467-V513 VanDerWaalsContact N-CG1 3.32Å; V478-V513 VanDerWaalsContact O-CG1 3.27Å; V478-V513 WeakPolarHBondContact O-CG1 3.2Å; R510-V513 HydrophobicContact CB-CB 3.71Å; R510-V513 HydrophobicContact CB-CG1 4.27Å; R510-V513 HydrophobicContact CB-CG2 3.77Å; R510-V513 HydrophobicContact CG-CG2 4.33Å; C511-V513 PolarHBondContact O-N 3.41Å; V513-A524 HydrophobicContact CG2-CB 4.3Å
514G97.8Very high95.2Very high7 Ų730 Ų307%0.07217%0.173CC..EExtended strand (participates in β ladder)trans-78.7136.1167.300000110I525 V562G514-I525 PolarHBondContact N-O 2.81Å; G514-I525 PolarHBondContact O-N 2.81Å; G514-V562 VanDerWaalsContact CA-CG2 3.46Å
515A98.2Very high95.3Very high12 Ų1227.2 Ų27.210%0.09916%0.156CC..EExtended strand (participates in β ladder)trans-130.1139.5167.800000111.1V478 L522 Y523V478-A515 HydrophobicContact CB-CB 4.36Å; V478-A515 HydrophobicContact CG2-CB 4.18Å; A515-L522 HydrophobicContact CB-CD1 4.34Å; A515-Y523 VanDerWaalsContact CA-O 3.23Å; A515-Y523 WeakPolarHBondContact CA-O 3.11Å
516T96.9Very high95.2Very high21 Ų2124.9 Ų24.913%0.12914%0.139CC..EExtended strand (participates in β ladder)trans-155.9167.8176.2-164.30000110.6L283 Y523 I525 V564L283-T516 HydrophobicContact CD1-CG2 3.4Å; T516-Y523 PolarHBondContact N-O 3.39Å; T516-Y523 PolarHBondContact O-N 2.9Å; T516-I525 HydrophobicContact CG2-CD1 3.9Å; T516-V564 HydrophobicContact CG2-CG2 3.68Å
517V93.5Very high95.2Very high38 Ų3824.5 Ų24.523%0.2314%0.138CC..EExtended strand (participates in β ladder)trans-106.6129175.2171.30000109.3A469 L470 L471 R521 V564A469-V517 HydrophobicContact CB-CG2 3.94Å; L470-V517 VanDerWaalsContact O-CG2 3.31Å; L470-V517 WeakPolarHBondContact O-CG2 3.34Å; L471-V517 HydrophobicContact CB-CG2 3.84Å; L471-V517 HydrophobicContact CD1-CG1 3.9Å; L471-V517 HydrophobicContact CD1-CG2 4.33Å; L471-V517 HydrophobicContact CD2-CG2 4.43Å; L471-V517 HydrophobicContact CG-CG2 4.44Å; V517-R521 VanDerWaalsContact CA-O 3.28Å; V517-R521 WeakPolarHBondContact CA-O 3.4Å; V517-V564 WeakPolarHBondContact O-CG2 2.88Å
518L89.8Confident95.2Very high0 Ų023.6 Ų23.60%012%0.124CC..EExtended strand (participates in β ladder)trans-131.8123.7175.5176.268.4000107.8E281 L283 Y302 P304 G520 R521 Y523 V564E281-L518 HydrophobicContact CB-CD1 3.43Å; E281-L518 VanDerWaalsContact CB-CD1 3.43Å; L283-L518 HydrophobicContact CB-CD2 4.14Å; Y302-L518 HydrophobicContact CD1-CD2 4.46Å; P304-L518 HydrophobicContact CB-CD2 4.09Å; P304-L518 HydrophobicContact CG-CD1 4.28Å; P304-L518 HydrophobicContact CG-CD2 3.95Å; P304-L518 HydrophobicContact CG-CG 4.36Å; L518-G520 VanDerWaalsContact C-N 3.3Å; L518-G520 PolarHBondContact O-N 3.22Å; L518-R521 PolarHBondContact N-O 2.78Å; L518-R521 PolarHBondContact O-N 3.17Å; L518-R521 VanDerWaalsContact O-N 3.11Å; L518-Y523 HydrophobicContact CB-CD2 3.78Å; L518-Y523 HydrophobicContact CB-CE2 3.6Å; L518-Y523 HydrophobicContact CD2-CE1 4.41Å; L518-Y523 HydrophobicContact CD2-CE2 4.14Å; L518-Y523 HydrophobicContact CG-CE2 4.24Å; L518-Y523 WeakPolarHBondContact O-CE2 3.14Å; L518-V564 HydrophobicContact CB-CG2 4.07Å; L518-V564 HydrophobicContact CD1-CG1 3.78Å; L518-V564 HydrophobicContact CD1-CG2 4.09Å
519R80.6Confident95.2Very high36 Ų3623.6 Ų23.614%0.13612%0.123CC..THydrogen-bonded Turntrans50.445.3178.4-61.4-174.7166.5163.34.9114.5L277 A279 E281 R521L277-R519 PolarHBondContact O-NH2 2.77Å; A279-R519 PolarHBondContact O-NH2 3.13Å; A279-R519 VanDerWaalsContact O-NH2 3.08Å; E281-R519 PolarHBondContact OE2-N 2.81Å; R519-R521 PolarHBondContact O-N 3.31Å
520G80.7Confident95.1Very high35 Ų3522.5 Ų22.536%0.36112%0.12SC..THydrogen-bonded Turntrans73.310.4176.200000115.2L518L518-G520 VanDerWaalsContact C-N 3.3Å; L518-G520 PolarHBondContact O-N 3.22Å
521R90.1Very high95Very high82 Ų8229.4 Ų29.431%0.30916%0.157SC..EExtended strand (participates in β ladder)trans-121.9151.7175.3-65.1-177.1170.2-163.3-11.4110.9V517 L518 R519 Y523 C539 Y540 D541 E548V517-R521 VanDerWaalsContact CA-O 3.28Å; V517-R521 WeakPolarHBondContact CA-O 3.4Å; L518-R521 PolarHBondContact N-O 2.78Å; L518-R521 PolarHBondContact O-N 3.17Å; L518-R521 VanDerWaalsContact O-N 3.11Å; R519-R521 PolarHBondContact O-N 3.31Å; R521-Y523 HydrophobicContact CB-CE2 3.95Å; R521-Y523 WeakPolarHBondContact O-CD2 3.48Å; R521-C539 VanDerWaalsContact CB-SG 3.51Å; R521-C539 WeakPolarHBondContact CD-SG 3.33Å; R521-Y540 WeakPolarHBondContact CB-O 3.45Å; R521-D541 IonicContact CZ-OD2 3.71Å; R521-D541 IonicContact NE-OD2 2.77Å; R521-D541 PolarHBondContact NE-OD2 2.8Å; R521-D541 IonicContact NH2-OD2 3.45Å; R521-D541 PolarHBondContact NH2-OD2 2.97Å; R521-E548 IonicContact CZ-OE1 3.45Å; R521-E548 IonicContact NH1-OE1 2.77Å; R521-E548 PolarHBondContact NH1-OE1 3.37Å
522L95.9Very high94.9Very high0 Ų031.8 Ų31.80%017%0.174CC..EExtended strand (participates in β ladder)trans-95128.1-179167.573.1000109.6A469 L471 Y476 V478 A515 C539 Y540 W547A469-L522 HydrophobicContact CB-CD1 3.73Å; L471-L522 HydrophobicContact CD2-CB 4.13Å; Y476-L522 HydrophobicContact CD1-CD2 3.85Å; Y476-L522 HydrophobicContact CD2-CD2 4.49Å; Y476-L522 HydrophobicContact CG-CD2 3.75Å; V478-L522 HydrophobicContact CG2-CD1 4.39Å; V478-L522 HydrophobicContact CG2-CD2 3.82Å; V478-L522 HydrophobicContact CG2-CG 4.44Å; A515-L522 HydrophobicContact CB-CD1 4.34Å; L522-C539 CarbonylContact O-C 3.54Å; L522-C539 WeakPolarHBondContact O-CA 3.29Å; L522-Y540 HydrophobicContact CB-CD1 4.17Å; L522-Y540 HydrophobicContact CD2-CD1 4.1Å; L522-Y540 HydrophobicContact CD2-CG 4.46Å; L522-Y540 PolarHBondContact N-O 3.19Å; L522-Y540 VanDerWaalsContact N-O 3.12Å; L522-Y540 PolarHBondContact O-N 3.13Å; L522-W547 HydrophobicContact CD2-CH2 3.87Å; L522-W547 HydrophobicContact CD2-CZ2 4.13Å; L522-W547 HydrophobicContact CG-CH2 4.11Å
523Y97.9Very high94.9Very high19 Ų1929.1 Ų29.18%0.07516%0.164CC..EExtended strand (participates in β ladder)trans-109.3131.3-179.8-73.5-109.5000110.1A515 T516 L518 R521 I537 E538 C539 V550A515-Y523 VanDerWaalsContact CA-O 3.23Å; A515-Y523 WeakPolarHBondContact CA-O 3.11Å; T516-Y523 PolarHBondContact N-O 3.39Å; T516-Y523 PolarHBondContact O-N 2.9Å; L518-Y523 HydrophobicContact CB-CD2 3.78Å; L518-Y523 HydrophobicContact CB-CE2 3.6Å; L518-Y523 HydrophobicContact CD2-CE1 4.41Å; L518-Y523 HydrophobicContact CD2-CE2 4.14Å; L518-Y523 HydrophobicContact CG-CE2 4.24Å; L518-Y523 WeakPolarHBondContact O-CE2 3.14Å; R521-Y523 HydrophobicContact CB-CE2 3.95Å; R521-Y523 WeakPolarHBondContact O-CD2 3.48Å; Y523-I537 HydrophobicContact CD1-CG2 3.76Å; Y523-E538 CarbonylContact C-O 3.48Å; Y523-E538 WeakPolarHBondContact CA-O 3.47Å; Y523-C539 HydrophobicContact CD1-CB 4.26Å; Y523-C539 HydrophobicContact CE1-CB 4.06Å; Y523-V550 HydrophobicContact CD1-CG2 4.27Å; Y523-V550 HydrophobicContact CE1-CG2 3.99Å
524A98.5Very high94.9Very high0 Ų029.4 Ų29.40%017%0.165CC..EExtended strand (participates in β ladder)trans-107.211817100000109.2V478 M506 V513 I537 E538 W547V478-A524 HydrophobicContact CG1-CB 3.89Å; M506-A524 HydrophobicContact SD-CB 3.47Å; M506-A524 WeakPolarHBondContact SD-CB 3.36Å; V513-A524 HydrophobicContact CG2-CB 4.3Å; A524-I537 WeakPolarHBondContact O-CA 2.93Å; A524-E538 HydrophobicContact CB-CB 4.49Å; A524-E538 PolarHBondContact N-O 3.11Å; A524-E538 PolarHBondContact O-N 3.36Å; A524-W547 HydrophobicContact CB-CH2 3.93Å; A524-W547 HydrophobicContact CB-CZ3 3.62Å
525I98.4Very high94.9Very high1 Ų130.2 Ų30.21%0.00517%0.17CC..EExtended strand (participates in β ladder)trans-123.4124.5-159.9-59.8140000109.4L283 V285 G514 T516 I537 M553 V562L283-I525 HydrophobicContact CD1-CD1 3.75Å; L283-I525 HydrophobicContact CD2-CD1 4.01Å; L283-I525 HydrophobicContact CD2-CG1 4.14Å; L283-I525 HydrophobicContact CG-CD1 4.47Å; V285-I525 HydrophobicContact CG1-CG2 4.21Å; V285-I525 HydrophobicContact CG2-CG2 3.65Å; G514-I525 PolarHBondContact N-O 2.81Å; G514-I525 PolarHBondContact O-N 2.81Å; T516-I525 HydrophobicContact CG2-CD1 3.9Å; I525-I537 HydrophobicContact CG1-CD1 4.23Å; I525-I537 HydrophobicContact CG1-CG1 4.43Å; I525-I537 HydrophobicContact CG1-CG2 3.88Å; I525-I537 HydrophobicContact CG2-CD1 4.01Å; I525-I537 HydrophobicContact CG2-CG1 4.23Å; I525-M553 HydrophobicContact CG2-CE 4.44Å; I525-M553 HydrophobicContact CG2-SD 4.16Å; I525-V562 HydrophobicContact CB-CG1 4.16Å; I525-V562 HydrophobicContact CD1-CB 4.15Å; I525-V562 HydrophobicContact CD1-CG1 4.01Å; I525-V562 HydrophobicContact CD1-CG2 4.34Å; I525-V562 HydrophobicContact CG2-CG1 3.98Å
526A97.6Very high94.9Very high3 Ų330.6 Ų30.63%0.02517%0.172CC..EExtended strand (participates in β ladder)trans58.3-152175.200000112.7R510 S536 M553 R557R510-A526 PolarHBondContact NH1-O 2.8Å; A526-S536 PolarHBondContact N-O 3.42Å; A526-M553 HydrophobicContact CB-CE 3.3Å; A526-R557 HydrophobicContact CB-CG 4.18Å; A526-R557 WeakPolarHBondContact CB-O 3.42Å
527G97.8Very high94.9Very high0 Ų029.6 Ų29.60%017%0.166CC..EExtended strand (participates in β ladder)trans111.2-166174.600000112.5C511 L534 R557C511-G527 CarbonylContact O-C 3.57Å; C511-G527 VanDerWaalsContact O-CA 3.27Å; C511-G527 WeakPolarHBondContact O-CA 3.47Å; G527-L534 PolarHBondContact O-N 2.74Å; G527-R557 PolarHBondContact N-O 2.82Å
528Y98Very high95.1Very high73 Ų7327.8 Ų27.829%0.28616%0.155SC..EExtended strand (participates in β ladder)trans-130130.1179.6179.2-111.4000110.1H486 C511 G530 S532 L533H486-Y528 AromaticContact CD2-CD1 3.82Å; H486-Y528 AromaticContact NE2-CD1 3.38Å; H486-Y528 WeakPolarHBondContact NE2-CD1 3.39Å; H486-Y528 AromaticContact NE2-CE1 3.52Å; C511-Y528 PolarHBondContact N-O 3.11Å; C511-Y528 PolarHBondContact O-N 2.87Å; Y528-G530 PolarHBondContact OH-O 3.44Å; Y528-S532 VanDerWaalsContact CD2-C 3.5Å; Y528-S532 WeakPolarHBondContact CD2-O 3.37Å; Y528-L533 HydrophobicContact CD2-CD2 4.04Å
529D97.4Very high95.5Very high36 Ų3627.8 Ų27.819%0.19316%0.155CC..  trans-92.1-1.1-175.767.32.9000113.9T508 P509 N531 S532 L534T508-D529 HydrophobicContact CG2-CB 4.12Å; P509-D529 VanDerWaalsContact O-CA 3.31Å; P509-D529 WeakPolarHBondContact O-CA 3.31Å; P509-D529 VanDerWaalsContact O-CB 3.31Å; P509-D529 WeakPolarHBondContact O-CB 3.29Å; D529-N531 WeakPolarHBondContact OD1-CA 3.45Å; D529-N531 PolarHBondContact OD1-N 2.94Å; D529-S532 PolarHBondContact N-O 2.94Å; D529-S532 PolarHBondContact OD1-N 3.11Å; D529-S532 PolarHBondContact OD2-OG 3.36Å; D529-L534 HydrophobicContact CB-CD1 4.27Å; D529-L534 HydrophobicContact CB-CD2 4.28Å
530G95.8Very high96.2Very high22 Ų2226.3 Ų26.323%0.22715%0.149CC..SBendtrans104.4-15.4-172.100000114.2Y528Y528-G530 PolarHBondContact OH-O 3.44Å
531N95.8Very high96.6Very high144 Ų14425.1 Ų25.177%0.7714%0.135SC*.SBendtrans-126.6-38.9179.2-60-62.8000113.1D529D529-N531 WeakPolarHBondContact OD1-CA 3.45Å; D529-N531 PolarHBondContact OD1-N 2.94Å
532S96.6Very high96.3Very high53 Ų5322.2 Ų22.237%0.37113%0.126SC..SBendtrans-142.8152.3-170.672.20000112.8Y528 D529Y528-S532 VanDerWaalsContact CD2-C 3.5Å; Y528-S532 WeakPolarHBondContact CD2-O 3.37Å; D529-S532 PolarHBondContact N-O 2.94Å; D529-S532 PolarHBondContact OD1-N 3.11Å; D529-S532 PolarHBondContact OD2-OG 3.36Å
533L97.8Very high95.5Very high19 Ų1923.4 Ų23.410%0.09913%0.133CC..EExtended strand (participates in β ladder)trans-76.5136.6170.4-62.8175000109.3Y528 Q556 C558Y528-L533 HydrophobicContact CD2-CD2 4.04Å; L533-Q556 HydrophobicContact CB-CB 4.08Å; L533-C558 HydrophobicContact CD2-CB 3.9Å; L533-C558 VanDerWaalsContact CD2-SG 3.56Å
534L98Very high94.9Very high16 Ų1625.2 Ų25.28%0.08414%0.143CC..EExtended strand (participates in β ladder)trans-98.9144.4-175.5-55.8175.5000110.7T508 R510 G527 D529 R557T508-L534 HydrophobicContact CG2-CD1 3.95Å; T508-L534 HydrophobicContact CG2-CD2 4.22Å; R510-L534 HydrophobicContact CB-CD1 4.5Å; R510-L534 HydrophobicContact CG-CD1 3.78Å; G527-L534 PolarHBondContact O-N 2.74Å; D529-L534 HydrophobicContact CB-CD1 4.27Å; D529-L534 HydrophobicContact CB-CD2 4.28Å; L534-R557 PolarHBondContact O-N 2.75Å; L534-R557 VanDerWaalsContact O-N 3.07Å
535S97.1Very high94.5Very high24 Ų2428.2 Ų28.217%0.16816%0.159CC..EExtended strand (participates in β ladder)trans-113.1-10.5164.356.80000112.5S552 M553S535-S552 WeakPolarHBondContact O-CA 3.26Å; S535-M553 WeakPolarHBondContact CB-O 3.37Å; S535-M553 PolarHBondContact O-N 2.76Å
536S97.7Very high94.3Very high21 Ų2130.2 Ų30.215%0.14717%0.173CC..EExtended strand (participates in β ladder)trans-67.8149.9-178.859.80000111.5R510 A526R510-S536 PolarHBondContact NH1-O 2.97Å; R510-S536 PolarHBondContact NH2-O 2.99Å; R510-S536 PolarHBondContact NH2-OG 3.01Å; A526-S536 PolarHBondContact N-O 3.42Å
537I98.1Very high94.3Very high0 Ų031.2 Ų31.20%018%0.176CC..EExtended strand (participates in β ladder)trans-123129.6174.7-55.5-171.8000108.3L283 W309 Y523 A524 I525 V550 T551 M553L283-I537 HydrophobicContact CD2-CD1 4.13Å; W309-I537 HydrophobicContact CH2-CD1 3.46Å; W309-I537 VanDerWaalsContact CH2-CD1 3.46Å; W309-I537 HydrophobicContact CZ2-CD1 3.32Å; W309-I537 HydrophobicContact CZ2-CG1 4.48Å; Y523-I537 HydrophobicContact CD1-CG2 3.76Å; A524-I537 WeakPolarHBondContact O-CA 2.93Å; I525-I537 HydrophobicContact CG1-CD1 4.23Å; I525-I537 HydrophobicContact CG1-CG1 4.43Å; I525-I537 HydrophobicContact CG1-CG2 3.88Å; I525-I537 HydrophobicContact CG2-CD1 4.01Å; I525-I537 HydrophobicContact CG2-CG1 4.23Å; I537-V550 HydrophobicContact CB-CG2 4.16Å; I537-V550 HydrophobicContact CG2-CG2 3.91Å; I537-V550 WeakPolarHBondContact O-CG2 3.18Å; I537-V550 PolarHBondContact O-N 3.03Å; I537-T551 HydrophobicContact CB-CG2 4.2Å; I537-T551 HydrophobicContact CD1-CG2 4.1Å; I537-T551 HydrophobicContact CG1-CG2 4.42Å; I537-T551 PolarHBondContact N-O 2.81Å; I537-M553 HydrophobicContact CD1-CG 4.05Å; I537-M553 HydrophobicContact CG1-CG 4.48Å
538E98.2Very high94.2Very high0 Ų035.6 Ų35.60%020%0.197CC..EExtended strand (participates in β ladder)trans-108.9141174.1-71.2174.8-105.700109.7T507 T508 R510 Y523 A524 W547 E548 V549T507-E538 WeakPolarHBondContact CB-OE2 3.38Å; T507-E538 PolarHBondContact N-OE2 3.44Å; T507-E538 PolarHBondContact OG1-OE1 2.87Å; T507-E538 PolarHBondContact OG1-OE2 2.88Å; T508-E538 PolarHBondContact N-OE1 2.92Å; R510-E538 IonicContact CZ-OE1 3.98Å; R510-E538 IonicContact NE-OE1 3.23Å; R510-E538 PolarHBondContact NE-OE1 2.68Å; R510-E538 VanDerWaalsContact NE-OE1 3.08Å; R510-E538 IonicContact NH2-OE1 3.69Å; R510-E538 PolarHBondContact NH2-OE1 3.13Å; Y523-E538 CarbonylContact C-O 3.48Å; Y523-E538 WeakPolarHBondContact CA-O 3.47Å; A524-E538 HydrophobicContact CB-CB 4.49Å; A524-E538 PolarHBondContact N-O 3.11Å; A524-E538 PolarHBondContact O-N 3.36Å; E538-W547 HydrophobicContact CB-CE3 3.68Å; E538-W547 HydrophobicContact CB-CZ3 4.14Å; E538-E548 CarbonylContact C-O 3.52Å; E538-E548 VanDerWaalsContact CA-O 3.26Å; E538-E548 WeakPolarHBondContact CA-O 3.29Å; E538-V549 HydrophobicContact CG-CG2 3.84Å
539C96.8Very high94.1Very high0 Ų036.1 Ų36.10%021%0.207CC..EExtended strand (participates in β ladder)trans-116.3130178.9-177.60000109.2R521 L522 Y523 W547 E548 V550R521-C539 VanDerWaalsContact CB-SG 3.51Å; R521-C539 WeakPolarHBondContact CD-SG 3.33Å; L522-C539 CarbonylContact O-C 3.54Å; L522-C539 WeakPolarHBondContact O-CA 3.29Å; Y523-C539 HydrophobicContact CD1-CB 4.26Å; Y523-C539 HydrophobicContact CE1-CB 4.06Å; C539-W547 CarbonylContact O-C 3.56Å; C539-W547 VanDerWaalsContact O-CA 3.32Å; C539-W547 WeakPolarHBondContact O-CA 3.3Å; C539-E548 HydrophobicContact CB-CG 4.2Å; C539-E548 PolarHBondContact N-O 3.25Å; C539-E548 PolarHBondContact O-N 2.75Å; C539-V550 HydrophobicContact CB-CB 4.36Å; C539-V550 HydrophobicContact CB-CG1 3.37Å; C539-V550 HydrophobicContact CB-CG2 3.99Å
540Y96.8Very high93.9Very high5 Ų536.7 Ų36.72%0.0221%0.212CC..EExtended strand (participates in β ladder)trans-101.9129175.5175.3-106.1000110.5Y476 V503 R521 L522 P542 D545 S546 W547Y476-Y540 HydrophobicContact CD1-CE1 4.31Å; Y476-Y540 HydrophobicContact CE1-CD1 4.18Å; Y476-Y540 AromaticContact CE1-CE1 3.5Å; Y476-Y540 HydrophobicContact CE1-CE1 3.5Å; Y476-Y540 AromaticContact CZ-CE1 3.96Å; V503-Y540 HydrophobicContact CB-CE2 4.5Å; V503-Y540 HydrophobicContact CG2-CE2 4.42Å; R521-Y540 WeakPolarHBondContact CB-O 3.45Å; L522-Y540 HydrophobicContact CB-CD1 4.17Å; L522-Y540 HydrophobicContact CD2-CD1 4.1Å; L522-Y540 HydrophobicContact CD2-CG 4.46Å; L522-Y540 PolarHBondContact N-O 3.19Å; L522-Y540 VanDerWaalsContact N-O 3.12Å; L522-Y540 PolarHBondContact O-N 3.13Å; Y540-P542 HydrophobicContact CD1-CB 4.39Å; Y540-P542 VanDerWaalsContact CE1-CA 3.42Å; Y540-P542 HydrophobicContact CE1-CB 3.81Å; Y540-D545 VanDerWaalsContact CE2-OD1 3.27Å; Y540-D545 WeakPolarHBondContact CE2-OD1 3.42Å; Y540-D545 PolarHBondContact OH-OD1 3.28Å; Y540-S546 WeakPolarHBondContact CA-O 3.26Å; Y540-W547 VanDerWaalsContact CB-CZ2 3.5Å; Y540-W547 AromaticContact CD2-CD1 3.77Å; Y540-W547 HydrophobicContact CD2-CD2 4.1Å; Y540-W547 AromaticContact CD2-CE2 3.65Å; Y540-W547 HydrophobicContact CD2-CG 4.18Å; Y540-W547 HydrophobicContact CD2-CZ2 4.12Å; Y540-W547 AromaticContact CD2-NE1 3.42Å; Y540-W547 HydrophobicContact CG-CD2 4.32Å; Y540-W547 AromaticContact CG-CE2 3.89Å; Y540-W547 HydrophobicContact CG-CH2 4.42Å; Y540-W547 AromaticContact CG-CZ2 3.93Å; Y540-W547 HydrophobicContact CG-CZ2 3.93Å
541D87.6Confident93.9Very high10 Ų1037.1 Ų37.15%0.05321%0.21CC..EExtended strand (participates in β ladder)trans-98.4109.8171.7-167.7-35.7000109.6R521 I543 I544 D545 S546R521-D541 IonicContact CZ-OD2 3.71Å; R521-D541 IonicContact NE-OD2 2.77Å; R521-D541 PolarHBondContact NE-OD2 2.8Å; R521-D541 IonicContact NH2-OD2 3.45Å; R521-D541 PolarHBondContact NH2-OD2 2.97Å; D541-I543 PolarHBondContact O-N 2.83Å; D541-I543 WeakPolarHBondContact OD1-CB 3.39Å; D541-I543 PolarHBondContact OD1-N 3.13Å; D541-I544 HydrophobicContact CB-CD1 4.26Å; D541-I544 HydrophobicContact CB-CG1 3.72Å; D541-I544 PolarHBondContact O-N 2.8Å; D541-D545 WeakPolarHBondContact O-CA 3.48Å; D541-D545 PolarHBondContact O-N 2.79Å; D541-S546 PolarHBondContact N-O 2.71Å
542P84.6Confident93.9Very high20 Ų2033 Ų3313%0.1319%0.193CC..THydrogen-bonded Turntrans-69.4-13.7-178.834.3-41.2000113.2L471 Y540L471-P542 HydrophobicContact CD2-CB 4.05Å; L471-P542 HydrophobicContact CD2-CG 3.67Å; L471-P542 HydrophobicContact CG-CG 4.27Å; Y540-P542 HydrophobicContact CD1-CB 4.39Å; Y540-P542 VanDerWaalsContact CE1-CA 3.42Å; Y540-P542 HydrophobicContact CE1-CB 3.81Å
543I79.1Confident93.9Very high26 Ų2630.9 Ų30.913%0.13318%0.177CC..THydrogen-bonded Turntrans-75.5-47.7179.2-69.5167.3000108.9L226 F258 R265 D541L226-I543 HydrophobicContact CD2-CD1 4Å; F258-I543 HydrophobicContact CE1-CG2 4.25Å; F258-I543 HydrophobicContact CE2-CG2 3.62Å; F258-I543 HydrophobicContact CZ-CB 4.23Å; F258-I543 HydrophobicContact CZ-CD1 4.02Å; F258-I543 HydrophobicContact CZ-CG1 4.01Å; F258-I543 HydrophobicContact CZ-CG2 3.24Å; R265-I543 HydrophobicContact CB-CG2 3.71Å; R265-I543 WeakPolarHBondContact CB-O 3.49Å; R265-I543 WeakPolarHBondContact CD-O 3.35Å; R265-I543 HydrophobicContact CG-CG2 4.18Å; R265-I543 PolarHBondContact NH1-O 2.88Å; D541-I543 PolarHBondContact O-N 2.83Å; D541-I543 WeakPolarHBondContact OD1-CB 3.39Å; D541-I543 PolarHBondContact OD1-N 3.13Å
544I84.6Confident93.7Very high56 Ų5633.2 Ų33.229%0.28721%0.205SC..THydrogen-bonded Turntrans-104.30.5-173.762.8171.1000114R265 S266 D541 S546R265-I544 HydrophobicContact CB-CG2 4.23Å; S266-I544 VanDerWaalsContact CA-CG2 3.47Å; D541-I544 HydrophobicContact CB-CD1 4.26Å; D541-I544 HydrophobicContact CB-CG1 3.72Å; D541-I544 PolarHBondContact O-N 2.8Å; I544-S546 WeakPolarHBondContact CD1-OG 3.39Å; I544-S546 VanDerWaalsContact CG1-OG 3.32Å; I544-S546 WeakPolarHBondContact CG1-OG 3.39Å
545D89.9Confident93.6Very high64 Ų6433.9 Ų33.934%0.34221%0.21SC..THydrogen-bonded Turntrans51.257.9-178.5-176.328.4000112T504 Y540 D541T504-D545 VanDerWaalsContact CB-O 3.31Å; T504-D545 WeakPolarHBondContact CB-O 3.45Å; T504-D545 WeakPolarHBondContact CB-OD1 3.2Å; T504-D545 PolarHBondContact N-OD1 2.93Å; T504-D545 PolarHBondContact OG1-O 2.74Å; T504-D545 PolarHBondContact OG1-OD1 2.88Å; T504-D545 VanDerWaalsContact OG1-OD1 3.13Å; T504-D545 PolarHBondContact OG1-OD2 3.15Å; Y540-D545 VanDerWaalsContact CE2-OD1 3.27Å; Y540-D545 WeakPolarHBondContact CE2-OD1 3.42Å; Y540-D545 PolarHBondContact OH-OD1 3.28Å; D541-D545 WeakPolarHBondContact O-CA 3.48Å; D541-D545 PolarHBondContact O-N 2.79Å
546S94.2Very high93.6Very high43 Ų4337.2 Ų37.230%0.30122%0.223SC..EExtended strand (participates in β ladder)trans-144.8149.6-179.575.70000112.5Y540 D541 I544Y540-S546 WeakPolarHBondContact CA-O 3.26Å; D541-S546 PolarHBondContact N-O 2.71Å; I544-S546 WeakPolarHBondContact CD1-OG 3.39Å; I544-S546 VanDerWaalsContact CG1-OG 3.32Å; I544-S546 WeakPolarHBondContact CG1-OG 3.39Å
547W97.6Very high93.6Very high24 Ų2436.2 Ų36.29%0.09122%0.216CC..EExtended strand (participates in β ladder)trans-103.7142173-69.187.4000111.1V478 V490 T504 S505 M506 L522 A524 E538 C539 Y540V478-W547 HydrophobicContact CG1-CH2 4.19Å; V478-W547 HydrophobicContact CG2-CH2 4.45Å; V490-W547 HydrophobicContact CG1-CZ2 4.48Å; V490-W547 HydrophobicContact CG2-CZ2 3.79Å; T504-W547 PolarHBondContact O-NE1 3.25Å; S505-W547 VanDerWaalsContact C-CD1 3.48Å; M506-W547 HydrophobicContact CB-CD2 4.49Å; M506-W547 HydrophobicContact CG-CD2 3.79Å; M506-W547 HydrophobicContact CG-CE3 4.01Å; M506-W547 HydrophobicContact CG-CG 4.45Å; M506-W547 HydrophobicContact CG-CH2 3.98Å; M506-W547 HydrophobicContact CG-CZ2 3.79Å; M506-W547 HydrophobicContact CG-CZ3 4.09Å; M506-W547 HydrophobicContact SD-CH2 4.35Å; M506-W547 HydrophobicContact SD-CZ3 4.5Å; L522-W547 HydrophobicContact CD2-CH2 3.87Å; L522-W547 HydrophobicContact CD2-CZ2 4.13Å; L522-W547 HydrophobicContact CG-CH2 4.11Å; A524-W547 HydrophobicContact CB-CH2 3.93Å; A524-W547 HydrophobicContact CB-CZ3 3.62Å; E538-W547 HydrophobicContact CB-CE3 3.68Å; E538-W547 HydrophobicContact CB-CZ3 4.14Å; C539-W547 CarbonylContact O-C 3.56Å; C539-W547 VanDerWaalsContact O-CA 3.32Å; C539-W547 WeakPolarHBondContact O-CA 3.3Å; Y540-W547 VanDerWaalsContact CB-CZ2 3.5Å; Y540-W547 AromaticContact CD2-CD1 3.77Å; Y540-W547 HydrophobicContact CD2-CD2 4.1Å; Y540-W547 AromaticContact CD2-CE2 3.65Å; Y540-W547 HydrophobicContact CD2-CG 4.18Å; Y540-W547 HydrophobicContact CD2-CZ2 4.12Å; Y540-W547 AromaticContact CD2-NE1 3.42Å; Y540-W547 HydrophobicContact CG-CD2 4.32Å; Y540-W547 AromaticContact CG-CE2 3.89Å; Y540-W547 HydrophobicContact CG-CH2 4.42Å; Y540-W547 AromaticContact CG-CZ2 3.93Å; Y540-W547 HydrophobicContact CG-CZ2 3.93Å
548E96.1Very high93.6Very high92 Ų9236.4 Ų36.443%0.4322%0.218SC..EExtended strand (participates in β ladder)trans-130141.6169.858.4177.9172.300110.6R521 E538 C539 V550R521-E548 IonicContact CZ-OE1 3.45Å; R521-E548 IonicContact NH1-OE1 2.77Å; R521-E548 PolarHBondContact NH1-OE1 3.37Å; E538-E548 CarbonylContact C-O 3.52Å; E538-E548 VanDerWaalsContact CA-O 3.26Å; E538-E548 WeakPolarHBondContact CA-O 3.29Å; C539-E548 HydrophobicContact CB-CG 4.2Å; C539-E548 PolarHBondContact N-O 3.25Å; C539-E548 PolarHBondContact O-N 2.75Å; E548-V550 HydrophobicContact CG-CG1 3.78Å; E548-V550 PolarHBondContact O-N 2.9Å
549V96.5Very high93.6Very high83 Ų8336.8 Ų36.850%0.50322%0.22SC..EExtended strand (participates in β ladder)trans-78.1113.1170.31800000107.5E538E538-V549 HydrophobicContact CG-CG2 3.84Å
550V94Very high93.6Very high49 Ų4937.7 Ų37.730%0.29723%0.227SC..EExtended strand (participates in β ladder)trans-95.8-40.6-170.8-73.20000113.5Y523 I537 C539 E548Y523-V550 HydrophobicContact CD1-CG2 4.27Å; Y523-V550 HydrophobicContact CE1-CG2 3.99Å; I537-V550 HydrophobicContact CB-CG2 4.16Å; I537-V550 HydrophobicContact CG2-CG2 3.91Å; I537-V550 WeakPolarHBondContact O-CG2 3.18Å; I537-V550 PolarHBondContact O-N 3.03Å; C539-V550 HydrophobicContact CB-CB 4.36Å; C539-V550 HydrophobicContact CB-CG1 3.37Å; C539-V550 HydrophobicContact CB-CG2 3.99Å; E548-V550 HydrophobicContact CG-CG1 3.78Å; E548-V550 PolarHBondContact O-N 2.9Å
551T95.2Very high93.6Very high31 Ų3137.6 Ų37.619%0.1923%0.227CC..EExtended strand (participates in β ladder)trans-163.2-179.8-176.2-1690000110.1Y302 W309 I537Y302-T551 HydrophobicContact CD2-CG2 4.31Å; Y302-T551 HydrophobicContact CE2-CG2 4.07Å; W309-T551 HydrophobicContact CZ2-CG2 3.73Å; W309-T551 PolarHBondContact NE1-OG1 3.5Å; I537-T551 HydrophobicContact CB-CG2 4.2Å; I537-T551 HydrophobicContact CD1-CG2 4.1Å; I537-T551 HydrophobicContact CG1-CG2 4.42Å; I537-T551 PolarHBondContact N-O 2.81Å
552S96.3Very high94.1Very high58 Ų5838.1 Ų38.141%0.40623%0.231SC..EExtended strand (participates in β ladder)trans-140.3139.2172.8-650000110.3W309 S535W309-S552 PolarHBondContact NE1-O 2.8Å; S535-S552 WeakPolarHBondContact O-CA 3.26Å
553M96.4Very high94.7Very high8 Ų837.5 Ų37.54%0.03923%0.227CC..  trans-67160.1170.9-60.4-177.8-62.800111V285 W309 I525 A526 S535 I537 T555 R557V285-M553 HydrophobicContact CB-SD 3.82Å; V285-M553 HydrophobicContact CG1-SD 3.66Å; V285-M553 HydrophobicContact CG2-SD 3.73Å; W309-M553 HydrophobicContact CE3-CG 4.47Å; W309-M553 HydrophobicContact CH2-CG 3.45Å; W309-M553 VanDerWaalsContact CH2-CG 3.45Å; W309-M553 HydrophobicContact CH2-SD 4.32Å; W309-M553 HydrophobicContact CZ2-CG 3.78Å; W309-M553 HydrophobicContact CZ3-CG 3.82Å; I525-M553 HydrophobicContact CG2-CE 4.44Å; I525-M553 HydrophobicContact CG2-SD 4.16Å; A526-M553 HydrophobicContact CB-CE 3.3Å; S535-M553 WeakPolarHBondContact CB-O 3.37Å; S535-M553 PolarHBondContact O-N 2.76Å; I537-M553 HydrophobicContact CD1-CG 4.05Å; I537-M553 HydrophobicContact CG1-CG 4.48Å; M553-T555 VanDerWaalsContact C-N 3.28Å; M553-T555 WeakPolarHBondContact CE-O 3.47Å; M553-R557 HydrophobicContact CE-CG 3.9Å
554G93.9Very high95.4Very high67 Ų6737.1 Ų37.169%0.69123%0.226SC*.SBendtrans-67.7-29.7169.300000112.6E300E300-G554 WeakPolarHBondContact OE2-CA 3.28Å; E300-G554 PolarHBondContact OE2-N 2.83Å
555T95.3Very high95.6Very high31 Ų3134.5 Ų34.519%0.1921%0.212CC..SBendtrans-108.1124.5-177.1-42.20000112.5I296 E300 M553I296-T555 HydrophobicContact CD1-CG2 3.85Å; E300-T555 WeakPolarHBondContact OE1-CB 3.37Å; E300-T555 PolarHBondContact OE1-N 3.14Å; E300-T555 PolarHBondContact OE1-OG1 2.79Å; M553-T555 VanDerWaalsContact C-N 3.28Å; M553-T555 WeakPolarHBondContact CE-O 3.47Å
556Q97.3Very high95.1Very high93 Ų9337.8 Ų37.844%0.43522%0.22SC..  trans-74.5127.4166.5-69.4175-1600110.5S291 L533S291-Q556 PolarHBondContact OG-OE1 3.41Å; L533-Q556 HydrophobicContact CB-CB 4.08Å
557R97.9Very high94.1Very high0 Ų037.5 Ų37.50%021%0.214CC..EExtended strand (participates in β ladder)trans-161.3161-175.254.5-174.9160.9173.9-10.9114.3V285 G287 F289 I296 V298 E300 A526 G527 L534 M553V285-R557 VanDerWaalsContact CB-NH2 3.3Å; V285-R557 PolarHBondContact O-NH1 3.28Å; V285-R557 PolarHBondContact O-NH2 2.75Å; G287-R557 VanDerWaalsContact O-CD 3.23Å; G287-R557 WeakPolarHBondContact O-CD 3.33Å; G287-R557 PolarHBondContact O-NH1 3.48Å; F289-R557 VanDerWaalsContact O-CA 3.22Å; F289-R557 WeakPolarHBondContact O-CA 3.2Å; I296-R557 HydrophobicContact CD1-CB 4.29Å; V298-R557 PolarHBondContact O-NH1 2.77Å; E300-R557 IonicContact OE1-CZ 3.44Å; E300-R557 IonicContact OE1-NE 2.82Å; E300-R557 IonicContact OE1-NH2 2.84Å; E300-R557 PolarHBondContact OE1-NH2 3.25Å; A526-R557 HydrophobicContact CB-CG 4.18Å; A526-R557 WeakPolarHBondContact CB-O 3.42Å; G527-R557 PolarHBondContact N-O 2.82Å; L534-R557 PolarHBondContact O-N 2.75Å; L534-R557 VanDerWaalsContact O-N 3.07Å; M553-R557 HydrophobicContact CE-CG 3.9Å
558C97.5Very high92.4Very high5 Ų543.7 Ų43.73%0.03424%0.242CC..EExtended strand (participates in β ladder)trans-128.9177.2163.5700000110.2G288 F289 L533 A560G288-C558 CarbonylContact C-O 3.54Å; G288-C558 WeakPolarHBondContact CA-O 3.31Å; F289-C558 PolarHBondContact N-O 3.36Å; F289-C558 PolarHBondContact O-N 3.04Å; F289-C558 VanDerWaalsContact O-N 3.16Å; L533-C558 HydrophobicContact CD2-CB 3.9Å; L533-C558 VanDerWaalsContact CD2-SG 3.56Å; C558-A560 PolarHBondContact O-N 2.91Å; C558-A560 VanDerWaalsContact O-N 3.11Å
559D97.3Very high92.2Very high8 Ų841.3 Ų41.34%0.04323%0.232CC..SBendtrans57.824.9176.7-55.1-57.3000115.3R320 Y321 Y512R320-D559 HydrophobicContact CB-CB 4.13Å; R320-D559 IonicContact CZ-OD2 2.83Å; R320-D559 IonicContact NE-OD2 3.3Å; R320-D559 PolarHBondContact NE-OD2 2.82Å; R320-D559 IonicContact NH2-OD2 3.37Å; R320-D559 PolarHBondContact NH2-OD2 2.76Å; Y321-D559 HydrophobicContact CD1-CB 3.72Å; Y321-D559 WeakPolarHBondContact CD1-OD1 3.32Å; Y321-D559 HydrophobicContact CE1-CB 4.21Å; Y321-D559 WeakPolarHBondContact CE1-OD1 3.45Å; Y321-D559 VanDerWaalsContact CE1-OD2 3.25Å; Y321-D559 WeakPolarHBondContact CE1-OD2 3.45Å; Y321-D559 PolarHBondContact N-O 3.31Å; Y321-D559 VanDerWaalsContact N-O 3.11Å; Y512-D559 WeakPolarHBondContact CB-OD1 3.37Å; Y512-D559 WeakPolarHBondContact CD1-OD1 3.43Å; Y512-D559 PolarHBondContact O-N 3.25Å; Y512-D559 VanDerWaalsContact O-N 3.16Å
560A97.6Very high92Very high18 Ų1839.1 Ų39.115%0.14922%0.218CC..  trans-82.4151.9178.500000110.5V285 V286 C558V285-A560 HydrophobicContact CG1-CB 3.83Å; V286-A560 WeakPolarHBondContact O-CA 3.47Å; C558-A560 PolarHBondContact O-N 2.91Å; C558-A560 VanDerWaalsContact O-N 3.11Å
561G97.6Very high91.8Very high3 Ų338.6 Ų38.63%0.03121%0.214CC..EExtended strand (participates in β ladder)trans-77.4139.8163.300000109.4V285 V286 S324V285-G561 WeakPolarHBondContact CA-O 3.38Å; V286-G561 PolarHBondContact N-O 3.25Å; V286-G561 PolarHBondContact O-N 2.9Å; S324-G561 WeakPolarHBondContact OG-CA 3.44Å
562V97.9Very high91.6Very high22 Ų2239 Ų3913%0.13322%0.215CC..EExtended strand (participates in β ladder)trans-127.6141.1169.6-61.50000110.5L284 V285 S324 G514 I525L284-V562 WeakPolarHBondContact O-CA 3.39Å; V285-V562 HydrophobicContact CB-CG1 4.48Å; V285-V562 HydrophobicContact CG1-CG1 4.04Å; V285-V562 HydrophobicContact CG2-CG1 4.2Å; S324-V562 PolarHBondContact OG-N 2.8Å; S324-V562 PolarHBondContact OG-O 2.84Å; G514-V562 VanDerWaalsContact CA-CG2 3.46Å; I525-V562 HydrophobicContact CB-CG1 4.16Å; I525-V562 HydrophobicContact CD1-CB 4.15Å; I525-V562 HydrophobicContact CD1-CG1 4.01Å; I525-V562 HydrophobicContact CD1-CG2 4.34Å; I525-V562 HydrophobicContact CG2-CG1 3.98Å
563C96.4Very high91.4Very high6 Ų637.8 Ų37.84%0.04120%0.203CC..EExtended strand (participates in β ladder)trans-154.2163.717156.40000110.4L284L284-C563 PolarHBondContact N-O 2.89Å; L284-C563 PolarHBondContact O-N 3.41Å
564V93.9Very high91Very high18 Ų1839.8 Ų39.811%0.10921%0.214CC..EExtended strand (participates in β ladder)trans-109.3126.2172.6169.90000108.5E281 V282 L283 S326 T516 V517 L518E281-V564 HydrophobicContact CB-CG1 3.81Å; E281-V564 HydrophobicContact CG-CG1 3.98Å; V282-V564 CarbonylContact O-C 3.52Å; V282-V564 WeakPolarHBondContact O-CA 3.4Å; L283-V564 HydrophobicContact CD1-CG2 4.21Å; S326-V564 VanDerWaalsContact CB-O 3.3Å; S326-V564 WeakPolarHBondContact CB-O 3.46Å; S326-V564 PolarHBondContact OG-O 3Å; T516-V564 HydrophobicContact CG2-CG2 3.68Å; V517-V564 WeakPolarHBondContact O-CG2 2.88Å; L518-V564 HydrophobicContact CB-CG2 4.07Å; L518-V564 HydrophobicContact CD1-CG1 3.78Å; L518-V564 HydrophobicContact CD1-CG2 4.09Å
565L89.4Confident90.8Very high1 Ų137.9 Ų37.91%0.00518%0.18CC..EExtended strand (participates in β ladder)trans-102.8131.7176-178.671.7000109.1E281 V282 L284 I331 Y351E281-L565 CarbonylContact C-O 3.57Å; E281-L565 VanDerWaalsContact CA-O 3.3Å; E281-L565 WeakPolarHBondContact CA-O 3.3Å; V282-L565 HydrophobicContact CG2-CB 3.92Å; V282-L565 HydrophobicContact CG2-CD2 4.44Å; V282-L565 PolarHBondContact N-O 3.21Å; V282-L565 PolarHBondContact O-N 3.49Å; L284-L565 HydrophobicContact CD1-CB 3.88Å; L284-L565 HydrophobicContact CD1-CD2 4.33Å; I331-L565 HydrophobicContact CD1-CD2 4.15Å; I331-L565 HydrophobicContact CG1-CD1 4.35Å; I331-L565 HydrophobicContact CG1-CD2 4.25Å; Y351-L565 HydrophobicContact CD1-CD2 3.22Å; Y351-L565 HydrophobicContact CD1-CG 4.45Å; Y351-L565 HydrophobicContact CD2-CD2 3.95Å; Y351-L565 HydrophobicContact CE1-CD2 3.78Å; Y351-L565 HydrophobicContact CE2-CD2 4.42Å; Y351-L565 HydrophobicContact CG-CD2 3.29Å
566R79.6Confident90.5Very high133 Ų13338.4 Ų38.450%0.50218%0.179SC..EExtended strand (participates in β ladder)trans-88.7110.8167.7-74.3176.4176.8-171-1.6107.6D191 N280 E281D191-R566 IonicContact OD1-CZ 3.07Å; D191-R566 IonicContact OD1-NH1 3.92Å; D191-R566 PolarHBondContact OD1-NH1 2.95Å; D191-R566 IonicContact OD1-NH2 2.65Å; D191-R566 PolarHBondContact OD1-NH2 3.03Å; D191-R566 VanDerWaalsContact OD1-NH2 3.11Å; N280-R566 CarbonylContact O-C 3.57Å; E281-R566 HydrophobicContact CG-CG 3.59Å; E281-R566 IonicContact OE1-CZ 3.17Å; E281-R566 IonicContact OE1-NE 3.04Å; E281-R566 PolarHBondContact OE1-NE 3.21Å; E281-R566 IonicContact OE1-NH2 2.63Å; E281-R566 PolarHBondContact OE1-NH2 3.25Å
567E72.6Confident89.9Confident37 Ų3733.8 Ų33.817%0.17316%0.158CC..EExtended strand (participates in β ladder)trans-72.4143.6171.2-45.5-177.8139.500109.3N280 V282 K301 Y351N280-E567 HydrophobicContact CB-CB 3.75Å; N280-E567 HydrophobicContact CB-CG 4.31Å; N280-E567 WeakPolarHBondContact O-CG 3.43Å; N280-E567 PolarHBondContact O-N 2.92Å; V282-E567 HydrophobicContact CG1-CG 4.21Å; V282-E567 HydrophobicContact CG2-CG 4.17Å; K301-E567 IonicContact NZ-OE1 2.92Å; Y351-E567 HydrophobicContact CD1-CG 4.45Å; Y351-E567 HydrophobicContact CE1-CB 4.45Å; Y351-E567 HydrophobicContact CE1-CG 3.69Å; Y351-E567 WeakPolarHBondContact CE1-OE1 3.31Å; Y351-E567 VanDerWaalsContact CZ-OE1 3.28Å; Y351-E567 PolarHBondContact OH-OE1 3.46Å
568K61.2Low89.2Confident155 Ų15536.9 Ų36.967%0.67417%0.172SC*.  trans-70.20175.7-91.8178.4173.9165.70112.7K160 D329K160-K568 VanDerWaalsContact CE-OXT 3.26Å; K160-K568 WeakPolarHBondContact CE-OXT 3.35Å; K160-K568 PolarHBondContact NZ-OXT 3.37Å; D329-K568 WeakPolarHBondContact OD1-CE 3.41Å; D329-K568 IonicContact OD1-NZ 3.45Å; D329-K568 WeakPolarHBondContact OD2-CD 3.11Å; D329-K568 WeakPolarHBondContact OD2-CE 3.44Å; D329-K568 IonicContact OD2-NZ 2.8Å; D329-K568 PolarHBondContact OD2-NZ 2.74Å

Retrieved 568 of 568 residues in 350 ms (Link to these results)

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