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Kelch-like protein 12

Substrate-specific adapter of a BCR (BTB-CUL3-RBX1) E3 ubiquitin ligase complex that acts as a negative regulator of Wnt signaling pathway and ER-Golgi transport1,2. The BCR(KLHL12) complex is involved in ER-Golgi transport by regulating the size of COPII coats, thereby playing a key role in collagen export, which is required for embryonic stem (ES) cells division: BCR(KLHL12) acts by mediating monoubiquitination of SEC31 (SEC31A or SEC31B)3,4. The BCR(KLHL12) complex is also involved in neural crest specification: in response to cytosolic calcium increase, interacts with the heterodimer formed with PEF1 and PDCD6/ALG-2, leading to bridge together the BCR(KLHL12) complex and SEC31 (SEC31A or SEC31B), promoting monoubiquitination of SEC31 and subsequent collagen export5. As part of the BCR(KLHL12) complex, also acts as a negative regulator of the Wnt signaling pathway by mediating ubiquitination and subsequent proteolysis of DVL36. The BCR(KLHL12) complex also mediates polyubiquitination of DRD4 and PEF1, without leading to degradation of these proteins7,8,9.

AlphaFold DB , UniProt , Accession Q53G59, Species HUMAN (Homo sapiens, Human), 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 111.9 ms (Link to these results)

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