A0A087X3W8_POEFO Loading...

Ferrochelatase

Catalyzes the ferrous insertion into protoporphyrin IX.

AlphaFold DB , UniProt , Accession A0A087X3W8, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 287 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
1M83.1Confident95.5Very high135 Ų13559 Ų5967%0.66529%0.289SS*.  0-70.70-161.3172.949.900113.5E4 G5 M241M1-E4 WeakPolarHBondContact CA-OE2 3.43Å; M1-E4 PolarHBondContact N-OE2 3.22Å; M1-E4 PolarHBondContact O-N 3.39Å; M1-G5 PolarHBondContact O-N 2.98Å; M1-M241 HydrophobicContact CG-CE 3.64Å; M1-M241 HydrophobicContact SD-CE 4.24Å
2Q94.3Very high95.7Very high34 Ų3465.6 Ų65.616%0.15933%0.326CS..Hα-helixtrans-59.7-50.3-177.6-71.4173-5.400113.3E4 G5 M6 S202 N235 F240 L244Q2-E4 VanDerWaalsContact C-N 3.34Å; Q2-E4 PolarHBondContact O-N 3.2Å; Q2-G5 PolarHBondContact O-N 3.13Å; Q2-M6 WeakPolarHBondContact O-CB 3.39Å; Q2-M6 PolarHBondContact O-N 2.76Å; Q2-S202 PolarHBondContact NE2-OG 3.23Å; Q2-N235 VanDerWaalsContact CG-O 3.31Å; Q2-N235 WeakPolarHBondContact CG-O 3.15Å; Q2-N235 PolarHBondContact NE2-O 2.66Å; Q2-F240 HydrophobicContact CG-CD1 4.32Å; Q2-F240 HydrophobicContact CG-CE1 4.42Å; Q2-L244 HydrophobicContact CB-CD1 4.13Å
3G95.2Very high95.7Very high16 Ų1666.2 Ų66.217%0.16533%0.33CS..Hα-helixtrans-61.4-38.6178.600000113.6M6 V7 F22G3-M6 PolarHBondContact O-N 2.91Å; G3-V7 WeakPolarHBondContact O-CG2 3.26Å; G3-V7 PolarHBondContact O-N 2.93Å; G3-F22 WeakPolarHBondContact O-CD1 3.29Å
4E96.2Very high95.7Very high101 Ų10162.5 Ų62.547%0.47231%0.314SS..Hα-helixtrans-65.6-44.2176.2-64.3161.6146.300111.5M1 Q2 V7 R8 F22M1-E4 WeakPolarHBondContact CA-OE2 3.43Å; M1-E4 PolarHBondContact N-OE2 3.22Å; M1-E4 PolarHBondContact O-N 3.39Å; Q2-E4 VanDerWaalsContact C-N 3.34Å; Q2-E4 PolarHBondContact O-N 3.2Å; E4-V7 PolarHBondContact O-N 3.09Å; E4-R8 WeakPolarHBondContact O-CG 3.42Å; E4-R8 PolarHBondContact O-N 2.67Å; E4-R8 VanDerWaalsContact O-N 3.1Å; E4-F22 HydrophobicContact CB-CE1 4.38Å; E4-F22 HydrophobicContact CG-CE1 3.64Å; E4-F22 HydrophobicContact CG-CZ 3.92Å
5G96.4Very high95.8Very high14 Ų1464.1 Ų64.114%0.14433%0.331CS..Hα-helixtrans-63.6-41.3175.800000112.2M1 Q2 L9M1-G5 PolarHBondContact O-N 2.98Å; Q2-G5 PolarHBondContact O-N 3.13Å; G5-L9 WeakPolarHBondContact O-CG 3.42Å; G5-L9 PolarHBondContact O-N 3.44Å
6M97.9Very high95.8Very high23 Ų2370.1 Ų70.111%0.11336%0.363CS..Hα-helixtrans-60.4-50.2175.1179.8-170.171.800111.7Q2 G3 R8 L9 L10 F22 F51 L244 A245 V248Q2-M6 WeakPolarHBondContact O-CB 3.39Å; Q2-M6 PolarHBondContact O-N 2.76Å; G3-M6 PolarHBondContact O-N 2.91Å; M6-R8 PolarHBondContact O-N 2.66Å; M6-L9 PolarHBondContact O-N 2.82Å; M6-L10 HydrophobicContact CE-CD1 4.35Å; M6-L10 HydrophobicContact CG-CD1 3.71Å; M6-L10 HydrophobicContact CG-CG 4.3Å; M6-L10 WeakPolarHBondContact O-CB 3.43Å; M6-L10 WeakPolarHBondContact O-CG 3.27Å; M6-L10 PolarHBondContact O-N 3.48Å; M6-L10 HydrophobicContact SD-CD1 4.27Å; M6-F22 HydrophobicContact CE-CB 4.04Å; M6-F51 HydrophobicContact SD-CD1 4.14Å; M6-F51 HydrophobicContact SD-CE1 4.04Å; M6-L244 HydrophobicContact CB-CB 4.14Å; M6-L244 HydrophobicContact CG-CB 3.86Å; M6-L244 HydrophobicContact SD-CB 3.83Å; M6-A245 HydrophobicContact CG-CB 4.32Å; M6-V248 HydrophobicContact SD-CG2 4.1Å
7V98.1Very high95.8Very high21 Ų2169.1 Ų69.113%0.12736%0.361CS..Hα-helixtrans-61.3-46.1-179.1164.10000111.7G3 E4 L9 L10 D11 H20 F22G3-V7 WeakPolarHBondContact O-CG2 3.26Å; G3-V7 PolarHBondContact O-N 2.93Å; E4-V7 PolarHBondContact O-N 3.09Å; V7-L9 VanDerWaalsContact C-N 3.29Å; V7-L9 PolarHBondContact O-N 2.92Å; V7-L10 PolarHBondContact O-N 3.34Å; V7-L10 VanDerWaalsContact O-N 3.07Å; V7-D11 PolarHBondContact O-N 3.32Å; V7-H20 HydrophobicContact CG1-CB 4.31Å; V7-H20 WeakPolarHBondContact CG1-O 3.36Å; V7-H20 HydrophobicContact CG2-CB 4.41Å; V7-F22 HydrophobicContact CG2-CB 3.99Å; V7-F22 HydrophobicContact CG2-CD1 3.85Å; V7-F22 HydrophobicContact CG2-CG 4.42Å
8R97.4Very high95.8Very high187 Ų18767.5 Ų67.571%0.70636%0.36SS*.Hα-helixtrans-55.4-45.2177.6-73.5177.9-172.9-171.13.3112E4 M6E4-R8 WeakPolarHBondContact O-CG 3.42Å; E4-R8 PolarHBondContact O-N 2.67Å; E4-R8 VanDerWaalsContact O-N 3.1Å; M6-R8 PolarHBondContact O-N 2.66Å
9L97.6Very high95.9Very high64 Ų6470.2 Ų70.234%0.33538%0.382SS..Hα-helixtrans-69.3-37.6177.7-67.5172.4000112G5 M6 V7 D12 L13 K242 A245G5-L9 WeakPolarHBondContact O-CG 3.42Å; G5-L9 PolarHBondContact O-N 3.44Å; M6-L9 PolarHBondContact O-N 2.82Å; V7-L9 VanDerWaalsContact C-N 3.29Å; V7-L9 PolarHBondContact O-N 2.92Å; L9-D12 PolarHBondContact O-N 2.99Å; L9-L13 HydrophobicContact CB-CD1 4.32Å; L9-L13 VanDerWaalsContact O-CB 3.23Å; L9-L13 WeakPolarHBondContact O-CB 3.46Å; L9-L13 WeakPolarHBondContact O-CD1 3.49Å; L9-L13 WeakPolarHBondContact O-CG 3.38Å; L9-L13 PolarHBondContact O-N 3.21Å; L9-K242 HydrophobicContact CD1-CB 4.17Å; L9-A245 HydrophobicContact CB-CB 3.69Å; L9-A245 HydrophobicContact CD1-CB 4.21Å
10L97.2Very high96.1Very high3 Ų368.4 Ų68.42%0.01637%0.37CS..Hα-helixtrans-66.6-38.5-179.3-80.8172.6000113.4M6 V7 D12 L13 S14 H20 A245 V248 Q249M6-L10 HydrophobicContact CE-CD1 4.35Å; M6-L10 HydrophobicContact CG-CD1 3.71Å; M6-L10 HydrophobicContact CG-CG 4.3Å; M6-L10 WeakPolarHBondContact O-CB 3.43Å; M6-L10 WeakPolarHBondContact O-CG 3.27Å; M6-L10 PolarHBondContact O-N 3.48Å; M6-L10 HydrophobicContact SD-CD1 4.27Å; V7-L10 PolarHBondContact O-N 3.34Å; V7-L10 VanDerWaalsContact O-N 3.07Å; L10-D12 VanDerWaalsContact C-N 3.25Å; L10-D12 PolarHBondContact O-N 2.99Å; L10-L13 PolarHBondContact O-N 3.49Å; L10-S14 PolarHBondContact O-N 2.89Å; L10-H20 HydrophobicContact CB-CB 4.43Å; L10-H20 PolarHBondContact O-CE1 2.95Å; L10-A245 HydrophobicContact CD2-CB 4.26Å; L10-A245 VanDerWaalsContact CD2-O 3.31Å; L10-A245 WeakPolarHBondContact CD2-O 3.38Å; L10-A245 HydrophobicContact CG-CB 4.03Å; L10-V248 HydrophobicContact CD1-CB 3.87Å; L10-V248 HydrophobicContact CD1-CG1 3.65Å; L10-V248 HydrophobicContact CD1-CG2 4.37Å; L10-V248 HydrophobicContact CD2-CB 3.89Å; L10-V248 HydrophobicContact CD2-CG1 3.87Å; L10-V248 HydrophobicContact CG-CB 4.49Å; L10-V248 HydrophobicContact CG-CG1 4.43Å; L10-Q249 HydrophobicContact CD2-CB 4.26Å
11D97.6Very high96.2Very high51 Ų5170.2 Ų70.227%0.27338%0.375SS..Hα-helixtrans-60.3-37.7177.1-73-21.7000111.6V7 A18 H20V7-D11 PolarHBondContact O-N 3.32Å; D11-A18 HydrophobicContact CB-CB 4.46Å; D11-H20 PolarHBondContact N-ND1 3.16Å; D11-H20 IonicContact OD1-CE1 3.36Å; D11-H20 IonicContact OD1-CG 2.69Å; D11-H20 PolarHBondContact OD1-N 3.43Å; D11-H20 IonicContact OD1-ND1 3.9Å; D11-H20 PolarHBondContact OD1-ND1 3.27Å
12D96.9Very high96.9Very high138 Ų13867.3 Ų67.374%0.73836%0.358SS*.Hα-helixtrans-75.8-38.5174.5-67.7-25.3000112.5L9 L10L9-D12 PolarHBondContact O-N 2.99Å; L10-D12 VanDerWaalsContact C-N 3.25Å; L10-D12 PolarHBondContact O-N 2.99Å
13L96.1Very high97.1Very high73 Ų7367.9 Ų67.938%0.38236%0.359SS..Hα-helixtrans-78.9-24.6-174.5-75.9173.4000114L9 L10 A245 Q249L9-L13 HydrophobicContact CB-CD1 4.32Å; L9-L13 VanDerWaalsContact O-CB 3.23Å; L9-L13 WeakPolarHBondContact O-CB 3.46Å; L9-L13 WeakPolarHBondContact O-CD1 3.49Å; L9-L13 WeakPolarHBondContact O-CG 3.38Å; L9-L13 PolarHBondContact O-N 3.21Å; L10-L13 PolarHBondContact O-N 3.49Å; L13-A245 HydrophobicContact CD1-CB 4.09Å; L13-Q249 HydrophobicContact CB-CG 4.33Å; L13-Q249 PolarHBondContact O-NE2 3.38Å
14S96.1Very high97.2Very high15 Ų1570.8 Ų70.811%0.10537%0.371CS..  trans-142.764.9-175-164.40000111L10 D16 T17 A18 H20L10-S14 PolarHBondContact O-N 2.89Å; S14-D16 PolarHBondContact O-N 2.7Å; S14-T17 WeakPolarHBondContact CB-OG1 3.4Å; S14-T17 PolarHBondContact O-N 3.47Å; S14-T17 PolarHBondContact O-OG1 3.46Å; S14-T17 VanDerWaalsContact O-OG1 3.14Å; S14-T17 PolarHBondContact OG-OG1 2.98Å; S14-A18 PolarHBondContact O-N 3Å; S14-H20 PolarHBondContact O-CE1 2.94Å; S14-H20 VanDerWaalsContact O-CE1 3.28Å
15P96.4Very high97.3Very high86 Ų8667.9 Ų67.956%0.55837%0.367SS*.G310 helixtrans-61.2-28.7-174.625-35.1000113.1T17 A18P15-T17 PolarHBondContact O-N 3.33Å; P15-A18 WeakPolarHBondContact O-CB 3.46Å; P15-A18 PolarHBondContact O-N 2.96Å
16D95.8Very high97.3Very high160 Ų16071.8 Ų71.886%0.85638%0.381SS*.G310 helixtrans-67.4-17.4178.9-61.3-30.8000113.6S14S14-D16 PolarHBondContact O-N 2.7Å
17T96Very high97.2Very high54 Ų5473.9 Ų73.933%0.33139%0.387SS..G310 helixtrans-115.15.317756.70000112.9S14 P15 H20 L252S14-T17 WeakPolarHBondContact CB-OG1 3.4Å; S14-T17 PolarHBondContact O-N 3.47Å; S14-T17 PolarHBondContact O-OG1 3.46Å; S14-T17 VanDerWaalsContact O-OG1 3.14Å; S14-T17 PolarHBondContact OG-OG1 2.98Å; P15-T17 PolarHBondContact O-N 3.33Å; T17-H20 PolarHBondContact O-NE2 2.95Å; T17-H20 PolarHBondContact OG1-NE2 3.03Å; T17-L252 HydrophobicContact CG2-CD1 4.49Å
18A96.8Very high96.9Very high40 Ų4081 Ų8133%0.33141%0.413SS..PPolyproline II helixtrans-77.6154.7174.200000110.9D11 S14 P15D11-A18 HydrophobicContact CB-CB 4.46Å; S14-A18 PolarHBondContact O-N 3Å; P15-A18 WeakPolarHBondContact O-CB 3.46Å; P15-A18 PolarHBondContact O-N 2.96Å
19P97.6Very high96.6Very high119 Ų11976.3 Ų76.377%0.77341%0.405SS*.SBendcis-76.8136.8-0.231.2-34.3000112.6
20H98.4Very high96.3Very high33 Ų3379.2 Ų79.215%0.15342%0.421CS..PPolyproline II helixtrans-87.4147.1173.2-53.689000110.9V7 L10 D11 S14 T17V7-H20 HydrophobicContact CG1-CB 4.31Å; V7-H20 WeakPolarHBondContact CG1-O 3.36Å; V7-H20 HydrophobicContact CG2-CB 4.41Å; L10-H20 HydrophobicContact CB-CB 4.43Å; L10-H20 PolarHBondContact O-CE1 2.95Å; D11-H20 PolarHBondContact N-ND1 3.16Å; D11-H20 IonicContact OD1-CE1 3.36Å; D11-H20 IonicContact OD1-CG 2.69Å; D11-H20 PolarHBondContact OD1-N 3.43Å; D11-H20 IonicContact OD1-ND1 3.9Å; D11-H20 PolarHBondContact OD1-ND1 3.27Å; S14-H20 PolarHBondContact O-CE1 2.94Å; S14-H20 VanDerWaalsContact O-CE1 3.28Å; T17-H20 PolarHBondContact O-NE2 2.95Å; T17-H20 PolarHBondContact OG1-NE2 3.03Å
21K98.5Very high96.2Very high108 Ų10881.7 Ų81.747%0.4744%0.437SS..  trans-134.7136.1171.3-177.6169.9165.4-168.10109.3Y23 E39 D43K21-Y23 HydrophobicContact CB-CE2 3.98Å; K21-Y23 HydrophobicContact CD-CE1 4.09Å; K21-Y23 HydrophobicContact CD-CE2 4.1Å; K21-Y23 WeakPolarHBondContact CD-OH 3.48Å; K21-Y23 VanDerWaalsContact CE-CE1 3.48Å; K21-Y23 HydrophobicContact CG-CD2 4.41Å; K21-Y23 HydrophobicContact CG-CE1 4.45Å; K21-Y23 HydrophobicContact CG-CE2 3.76Å; K21-E39 IonicContact NZ-OE1 3.44Å; K21-E39 PolarHBondContact NZ-OE1 2.77Å; K21-D43 IonicContact NZ-OD2 3.24Å; K21-D43 PolarHBondContact NZ-OD2 2.7Å
22F98.2Very high96.1Very high73 Ų7381.8 Ų81.832%0.3244%0.437SS..  trans-95147.1172.577.3-88.9000110G3 E4 M6 V7 I24G3-F22 WeakPolarHBondContact O-CD1 3.29Å; E4-F22 HydrophobicContact CB-CE1 4.38Å; E4-F22 HydrophobicContact CG-CE1 3.64Å; E4-F22 HydrophobicContact CG-CZ 3.92Å; M6-F22 HydrophobicContact CE-CB 4.04Å; V7-F22 HydrophobicContact CG2-CB 3.99Å; V7-F22 HydrophobicContact CG2-CD1 3.85Å; V7-F22 HydrophobicContact CG2-CG 4.42Å; F22-I24 HydrophobicContact CD2-CG1 4.27Å; F22-I24 HydrophobicContact CE2-CD1 4.28Å; F22-I24 HydrophobicContact CE2-CG1 4.11Å
23Y98.4Very high96.2Very high46 Ų4675.7 Ų75.718%0.1841%0.405CS..  trans-129138.5174.1-59.5-98.7000108.1K21 E39 M40 D43 V45K21-Y23 HydrophobicContact CB-CE2 3.98Å; K21-Y23 HydrophobicContact CD-CE1 4.09Å; K21-Y23 HydrophobicContact CD-CE2 4.1Å; K21-Y23 WeakPolarHBondContact CD-OH 3.48Å; K21-Y23 VanDerWaalsContact CE-CE1 3.48Å; K21-Y23 HydrophobicContact CG-CD2 4.41Å; K21-Y23 HydrophobicContact CG-CE1 4.45Å; K21-Y23 HydrophobicContact CG-CE2 3.76Å; Y23-E39 HydrophobicContact CD1-CB 4.23Å; Y23-E39 HydrophobicContact CD1-CG 4.24Å; Y23-E39 HydrophobicContact CE1-CB 4.14Å; Y23-E39 HydrophobicContact CE1-CG 3.85Å; Y23-M40 HydrophobicContact CD1-CG 3.7Å; Y23-M40 HydrophobicContact CD2-CE 4.37Å; Y23-M40 HydrophobicContact CD2-CG 3.49Å; Y23-M40 VanDerWaalsContact CD2-CG 3.49Å; Y23-M40 HydrophobicContact CD2-SD 4Å; Y23-M40 HydrophobicContact CE1-CG 3.73Å; Y23-M40 HydrophobicContact CE2-CG 3.56Å; Y23-M40 HydrophobicContact CG-CG 3.57Å; Y23-M40 HydrophobicContact CG-SD 4.13Å; Y23-D43 VanDerWaalsContact CE1-OD2 3.32Å; Y23-D43 WeakPolarHBondContact CE1-OD2 3.46Å; Y23-D43 WeakPolarHBondContact OH-CB 3.37Å; Y23-D43 PolarHBondContact OH-OD2 2.89Å; Y23-V45 HydrophobicContact CE2-CG2 4.2Å; Y23-V45 WeakPolarHBondContact OH-CG2 3.38Å
24I97.9Very high96.2Very high78 Ų7875 Ų7540%0.440%0.4SS..  trans-93.9120.3175.9-60.3176000107.3F22 F26 P31 A36F22-I24 HydrophobicContact CD2-CG1 4.27Å; F22-I24 HydrophobicContact CE2-CD1 4.28Å; F22-I24 HydrophobicContact CE2-CG1 4.11Å; I24-F26 HydrophobicContact CG2-CD1 4.12Å; I24-F26 HydrophobicContact CG2-CD2 3.66Å; I24-F26 HydrophobicContact CG2-CE1 3.92Å; I24-F26 HydrophobicContact CG2-CE2 3.47Å; I24-F26 VanDerWaalsContact CG2-CE2 3.47Å; I24-F26 HydrophobicContact CG2-CG 3.99Å; I24-F26 HydrophobicContact CG2-CZ 3.6Å; I24-P31 HydrophobicContact CB-CG 3.85Å; I24-P31 HydrophobicContact CG2-CG 3.93Å; I24-P31 VanDerWaalsContact O-CG 3.3Å; I24-P31 WeakPolarHBondContact O-CG 3.38Å; I24-A36 WeakPolarHBondContact O-CB 3.22Å
25G97.4Very high96.3Very high39 Ų3977.4 Ų77.440%0.40241%0.412SS..  trans-117.988.9172.400000109.9
26F96.9Very high96.4Very high97 Ų9773.7 Ų73.743%0.42539%0.388SS..BIsolated β-bridgetrans-76.9152.1173.7-70-51.3000110.5I24 V29 P31 L32 T33I24-F26 HydrophobicContact CG2-CD1 4.12Å; I24-F26 HydrophobicContact CG2-CD2 3.66Å; I24-F26 HydrophobicContact CG2-CE1 3.92Å; I24-F26 HydrophobicContact CG2-CE2 3.47Å; I24-F26 VanDerWaalsContact CG2-CE2 3.47Å; I24-F26 HydrophobicContact CG2-CG 3.99Å; I24-F26 HydrophobicContact CG2-CZ 3.6Å; F26-V29 HydrophobicContact CB-CG2 3.71Å; F26-V29 WeakPolarHBondContact CB-O 3.4Å; F26-V29 HydrophobicContact CD2-CG2 3.65Å; F26-V29 HydrophobicContact CE2-CG2 4.38Å; F26-V29 HydrophobicContact CG-CG2 3.74Å; F26-P31 WeakPolarHBondContact CB-O 3.45Å; F26-P31 PolarHBondContact N-O 2.98Å; F26-L32 CarbonylContact O-C 3.47Å; F26-L32 WeakPolarHBondContact O-CA 3.33Å; F26-T33 PolarHBondContact O-N 2.96Å; F26-T33 PolarHBondContact O-OG1 3.36Å; F26-T33 VanDerWaalsContact O-OG1 3.11Å
27R95.5Very high96.5Very high66 Ų6666.2 Ų66.225%0.24935%0.348CS..SBendtrans-83-30.5-177.8-174.162-167.889.5-8.8113.2S64R27-S64 PolarHBondContact NE-OG 3.06Å
28Y91.6Very high96.5Very high171 Ų17167.2 Ų67.267%0.67135%0.349SS*.SBendtrans-131.8-5.6-166.5-54.6-65.4000114.5
29V92.3Very high96.6Very high88 Ų8868.8 Ų68.853%0.53335%0.349SS..SBendtrans-138.3161.3-179.2-63.50000109.3F26 P31 L32F26-V29 HydrophobicContact CB-CG2 3.71Å; F26-V29 WeakPolarHBondContact CB-O 3.4Å; F26-V29 HydrophobicContact CD2-CG2 3.65Å; F26-V29 HydrophobicContact CE2-CG2 4.38Å; F26-V29 HydrophobicContact CG-CG2 3.74Å; V29-P31 CarbonylContact O-C 3.39Å; V29-L32 WeakPolarHBondContact O-CD2 3.43Å
30N90.3Very high96.6Very high125 Ų12564 Ų6467%0.66832%0.317SS*.SBendtrans-74.5146.1177.6-67.6-41.3000111.4
31P94.8Very high96.5Very high56 Ų5663.6 Ų63.636%0.36432%0.315SS..SBendcis-70.2132.7-8.228.6-34.8000112.2I24 F26 V29I24-P31 HydrophobicContact CB-CG 3.85Å; I24-P31 HydrophobicContact CG2-CG 3.93Å; I24-P31 VanDerWaalsContact O-CG 3.3Å; I24-P31 WeakPolarHBondContact O-CG 3.38Å; F26-P31 WeakPolarHBondContact CB-O 3.45Å; F26-P31 PolarHBondContact N-O 2.98Å; V29-P31 CarbonylContact O-C 3.39Å
32L97.3Very high96.5Very high53 Ų5367.4 Ų67.428%0.27733%0.327SS..BIsolated β-bridgetrans-73.7164.1179.8-65.2171.6000111.4F26 V29 E34 D35 A36F26-L32 CarbonylContact O-C 3.47Å; F26-L32 WeakPolarHBondContact O-CA 3.33Å; V29-L32 WeakPolarHBondContact O-CD2 3.43Å; L32-E34 PolarHBondContact O-N 3.19Å; L32-D35 WeakPolarHBondContact CB-OD2 3.31Å; L32-D35 PolarHBondContact N-OD2 3.26Å; L32-D35 PolarHBondContact O-N 2.65Å; L32-A36 PolarHBondContact O-N 3.11Å; L32-A36 VanDerWaalsContact O-N 3.08Å
33T97.4Very high96.5Very high10 Ų1067.8 Ų67.86%0.06133%0.332CS..Hα-helixtrans-57.5-41.3175.9-53.50000111.3F26 A36 I37 A68 I69F26-T33 PolarHBondContact O-N 2.96Å; F26-T33 PolarHBondContact O-OG1 3.36Å; F26-T33 VanDerWaalsContact O-OG1 3.11Å; T33-A36 PolarHBondContact O-N 3.41Å; T33-I37 HydrophobicContact CG2-CD1 4.24Å; T33-I37 VanDerWaalsContact O-CG1 3.28Å; T33-I37 WeakPolarHBondContact O-CG1 3.46Å; T33-I37 PolarHBondContact O-N 3.48Å; T33-I37 VanDerWaalsContact O-N 3.12Å; T33-A68 HydrophobicContact CG2-CB 4.18Å; T33-I69 HydrophobicContact CG2-CG1 3.88Å
34E97.2Very high96.5Very high58 Ų5868.2 Ų68.227%0.27135%0.351SS..Hα-helixtrans-65.2-43178-63.680.717800111.8L32 A36 I37 E38 Y72L32-E34 PolarHBondContact O-N 3.19Å; E34-A36 VanDerWaalsContact C-N 3.31Å; E34-A36 PolarHBondContact O-N 2.9Å; E34-I37 PolarHBondContact O-N 2.82Å; E34-E38 WeakPolarHBondContact O-CG 3.42Å; E34-E38 PolarHBondContact O-N 3.4Å; E34-Y72 HydrophobicContact CB-CD2 4.03Å; E34-Y72 HydrophobicContact CG-CD2 3.97Å
35D97.5Very high96.4Very high66 Ų6666 Ų6635%0.35334%0.341SS..Hα-helixtrans-60.2-42.7176.8-58.2-36.1000111.3L32 E38 E39L32-D35 WeakPolarHBondContact CB-OD2 3.31Å; L32-D35 PolarHBondContact N-OD2 3.26Å; L32-D35 PolarHBondContact O-N 2.65Å; D35-E38 PolarHBondContact O-N 3Å; D35-E39 PolarHBondContact O-N 3.24Å
36A98Very high96.3Very high8 Ų871.3 Ų71.37%0.06636%0.355CS..Hα-helixtrans-63.6-42.9177.900000111.7I24 L32 T33 E34 E38 E39 M40I24-A36 WeakPolarHBondContact O-CB 3.22Å; L32-A36 PolarHBondContact O-N 3.11Å; L32-A36 VanDerWaalsContact O-N 3.08Å; T33-A36 PolarHBondContact O-N 3.41Å; E34-A36 VanDerWaalsContact C-N 3.31Å; E34-A36 PolarHBondContact O-N 2.9Å; A36-E38 VanDerWaalsContact C-N 3.33Å; A36-E38 PolarHBondContact O-N 3.27Å; A36-E39 PolarHBondContact O-N 3.46Å; A36-M40 WeakPolarHBondContact O-CB 3.48Å; A36-M40 WeakPolarHBondContact O-CG 3.46Å; A36-M40 PolarHBondContact O-N 3.42Å
37I97.8Very high96.3Very high3 Ų369.7 Ų69.72%0.01535%0.346CS..Hα-helixtrans-63.4-42.3176.7-62.7161.7000110.5T33 E34 M40 E41 I69 Y72 Y73 W84T33-I37 HydrophobicContact CG2-CD1 4.24Å; T33-I37 VanDerWaalsContact O-CG1 3.28Å; T33-I37 WeakPolarHBondContact O-CG1 3.46Å; T33-I37 PolarHBondContact O-N 3.48Å; T33-I37 VanDerWaalsContact O-N 3.12Å; E34-I37 PolarHBondContact O-N 2.82Å; I37-M40 PolarHBondContact O-N 3.09Å; I37-E41 PolarHBondContact O-N 2.95Å; I37-I69 HydrophobicContact CD1-CB 4.33Å; I37-I69 HydrophobicContact CD1-CG1 4.18Å; I37-I69 HydrophobicContact CD1-CG2 4.21Å; I37-Y72 HydrophobicContact CB-CD1 4.34Å; I37-Y72 HydrophobicContact CB-CE1 4.23Å; I37-Y72 HydrophobicContact CD1-CD1 4.02Å; I37-Y72 HydrophobicContact CD1-CD2 4.46Å; I37-Y72 HydrophobicContact CD1-CG 3.88Å; I37-Y72 HydrophobicContact CG2-CD1 3.64Å; I37-Y72 HydrophobicContact CG2-CE1 3.34Å; I37-Y72 HydrophobicContact CG2-CG 4.35Å; I37-Y73 HydrophobicContact CG2-CE2 4.26Å; I37-Y73 WeakPolarHBondContact CG2-OH 3.46Å; I37-W84 HydrophobicContact CG1-CH2 4.23Å; I37-W84 HydrophobicContact CG1-CZ2 4.12Å; I37-W84 HydrophobicContact CG2-CZ2 4.41Å
38E97.3Very high96.4Very high75 Ų7566.6 Ų66.635%0.3534%0.335SS..Hα-helixtrans-64.9-37.1177.4-72.7-175.7175.900112.6E34 D35 A36 R42 Y72 R76E34-E38 WeakPolarHBondContact O-CG 3.42Å; E34-E38 PolarHBondContact O-N 3.4Å; D35-E38 PolarHBondContact O-N 3Å; A36-E38 VanDerWaalsContact C-N 3.33Å; A36-E38 PolarHBondContact O-N 3.27Å; E38-R42 VanDerWaalsContact O-CG 3.3Å; E38-R42 WeakPolarHBondContact O-CG 3.39Å; E38-R42 PolarHBondContact O-N 3.23Å; E38-R42 VanDerWaalsContact O-N 3.11Å; E38-R42 PolarHBondContact O-NE 3.36Å; E38-Y72 HydrophobicContact CG-CE2 3.82Å; E38-Y72 VanDerWaalsContact CG-OH 3.28Å; E38-Y72 WeakPolarHBondContact CG-OH 3.38Å; E38-R76 IonicContact OE1-NH1 3.16Å; E38-R76 PolarHBondContact OE1-NH1 2.83Å
39E98.3Very high96.7Very high72 Ų7260.4 Ų60.434%0.33631%0.314SS..Hα-helixtrans-65.1-47.6171.1-163-171.6152.800111.7K21 Y23 D35 A36 E41 R42 D43K21-E39 IonicContact NZ-OE1 3.44Å; K21-E39 PolarHBondContact NZ-OE1 2.77Å; Y23-E39 HydrophobicContact CD1-CB 4.23Å; Y23-E39 HydrophobicContact CD1-CG 4.24Å; Y23-E39 HydrophobicContact CE1-CB 4.14Å; Y23-E39 HydrophobicContact CE1-CG 3.85Å; D35-E39 PolarHBondContact O-N 3.24Å; A36-E39 PolarHBondContact O-N 3.46Å; E39-E41 VanDerWaalsContact C-N 3.29Å; E39-E41 PolarHBondContact O-N 3.48Å; E39-R42 PolarHBondContact O-N 3.03Å; E39-R42 VanDerWaalsContact O-N 3.1Å; E39-D43 WeakPolarHBondContact O-CB 3.46Å; E39-D43 VanDerWaalsContact O-CG 3.31Å; E39-D43 PolarHBondContact O-N 3.21Å
40M98.2Very high97Very high18 Ų1856.8 Ų56.89%0.08929%0.294CS..Hα-helixtrans-58.3-39.6177.6-70171.776.600112.4Y23 A36 I37 G44 V45 A48 M82 W84Y23-M40 HydrophobicContact CD1-CG 3.7Å; Y23-M40 HydrophobicContact CD2-CE 4.37Å; Y23-M40 HydrophobicContact CD2-CG 3.49Å; Y23-M40 VanDerWaalsContact CD2-CG 3.49Å; Y23-M40 HydrophobicContact CD2-SD 4Å; Y23-M40 HydrophobicContact CE1-CG 3.73Å; Y23-M40 HydrophobicContact CE2-CG 3.56Å; Y23-M40 HydrophobicContact CG-CG 3.57Å; Y23-M40 HydrophobicContact CG-SD 4.13Å; A36-M40 WeakPolarHBondContact O-CB 3.48Å; A36-M40 WeakPolarHBondContact O-CG 3.46Å; A36-M40 PolarHBondContact O-N 3.42Å; I37-M40 PolarHBondContact O-N 3.09Å; M40-G44 PolarHBondContact O-N 3.32Å; M40-V45 HydrophobicContact CB-CB 4.45Å; M40-V45 HydrophobicContact CB-CG2 4.1Å; M40-V45 HydrophobicContact CE-CG1 4.33Å; M40-V45 HydrophobicContact CG-CG2 4.45Å; M40-V45 WeakPolarHBondContact O-CB 3.31Å; M40-V45 WeakPolarHBondContact O-CG2 3.38Å; M40-V45 PolarHBondContact O-N 3.49Å; M40-A48 HydrophobicContact CE-CB 3.39Å; M40-M82 HydrophobicContact CB-CE 3.66Å; M40-M82 HydrophobicContact CB-SD 4.01Å; M40-M82 HydrophobicContact CE-SD 3.85Å; M40-W84 HydrophobicContact CE-CH2 4.23Å; M40-W84 HydrophobicContact SD-CH2 4.28Å
41E96.9Very high97.4Very high26 Ų2652.4 Ų52.412%0.12127%0.269CS..Hα-helixtrans-68.9-38.1175.4-75.1-162.5177.300113.1I37 E39 D43 G44 Y73 K81 M82I37-E41 PolarHBondContact O-N 2.95Å; E39-E41 VanDerWaalsContact C-N 3.29Å; E39-E41 PolarHBondContact O-N 3.48Å; E41-D43 VanDerWaalsContact C-N 3.31Å; E41-G44 PolarHBondContact O-N 2.97Å; E41-Y73 WeakPolarHBondContact OE1-CE1 3.41Å; E41-Y73 PolarHBondContact OE1-OH 3.13Å; E41-K81 HydrophobicContact CG-CB 4.48Å; E41-K81 HydrophobicContact CG-CD 4.4Å; E41-K81 WeakPolarHBondContact OE2-CE 3.41Å; E41-K81 IonicContact OE2-NZ 2.73Å; E41-K81 PolarHBondContact OE2-NZ 2.65Å; E41-M82 HydrophobicContact CB-CE 4.13Å; E41-M82 HydrophobicContact CG-CE 3.22Å
42R97.7Very high97.6Very high188 Ų18850.4 Ų50.471%0.70926%0.256SS*.Hα-helixtrans-66.8-35.6176.5-77.4-178.9-65.5168.92112.1E38 E39 G44E38-R42 VanDerWaalsContact O-CG 3.3Å; E38-R42 WeakPolarHBondContact O-CG 3.39Å; E38-R42 PolarHBondContact O-N 3.23Å; E38-R42 VanDerWaalsContact O-N 3.11Å; E38-R42 PolarHBondContact O-NE 3.36Å; E39-R42 PolarHBondContact O-N 3.03Å; E39-R42 VanDerWaalsContact O-N 3.1Å; R42-G44 PolarHBondContact O-N 3.43Å
43D98.1Very high97.7Very high80 Ų8051.6 Ų51.643%0.42826%0.26SS..THydrogen-bonded Turntrans-74.2-8.1177.5-70.9-13.3000113.2K21 Y23 E39 E41 V45K21-D43 IonicContact NZ-OD2 3.24Å; K21-D43 PolarHBondContact NZ-OD2 2.7Å; Y23-D43 VanDerWaalsContact CE1-OD2 3.32Å; Y23-D43 WeakPolarHBondContact CE1-OD2 3.46Å; Y23-D43 WeakPolarHBondContact OH-CB 3.37Å; Y23-D43 PolarHBondContact OH-OD2 2.89Å; E39-D43 WeakPolarHBondContact O-CB 3.46Å; E39-D43 VanDerWaalsContact O-CG 3.31Å; E39-D43 PolarHBondContact O-N 3.21Å; E41-D43 VanDerWaalsContact C-N 3.31Å; D43-V45 HydrophobicContact CB-CG2 4.19Å
44G97.4Very high97.7Very high56 Ų5654.6 Ų54.658%0.57727%0.27SS*.THydrogen-bonded Turntrans69.731.5179.900000113.5M40 E41 R42 E46M40-G44 PolarHBondContact O-N 3.32Å; E41-G44 PolarHBondContact O-N 2.97Å; R42-G44 PolarHBondContact O-N 3.43Å; G44-E46 PolarHBondContact O-N 2.97Å
45V97.3Very high97.7Very high31 Ų3151.8 Ų51.819%0.18826%0.258CS..  trans-56.5124.8-179.5172.90000111.1Y23 M40 D43 R47 M82Y23-V45 HydrophobicContact CE2-CG2 4.2Å; Y23-V45 WeakPolarHBondContact OH-CG2 3.38Å; M40-V45 HydrophobicContact CB-CB 4.45Å; M40-V45 HydrophobicContact CB-CG2 4.1Å; M40-V45 HydrophobicContact CE-CG1 4.33Å; M40-V45 HydrophobicContact CG-CG2 4.45Å; M40-V45 WeakPolarHBondContact O-CB 3.31Å; M40-V45 WeakPolarHBondContact O-CG2 3.38Å; M40-V45 PolarHBondContact O-N 3.49Å; D43-V45 HydrophobicContact CB-CG2 4.19Å; V45-R47 WeakPolarHBondContact CG1-O 3.24Å; V45-M82 WeakPolarHBondContact O-CB 3.38Å
46E95.1Very high97.8Very high150 Ų15048.7 Ų48.770%0.70124%0.241SC*.SBendtrans-78.9-37.1179.5-63.1-173.7-170.700113.5G44 R83G44-E46 PolarHBondContact O-N 2.97Å; E46-R83 PolarHBondContact O-N 3.12Å; E46-R83 PolarHBondContact O-NE 2.78Å; E46-R83 IonicContact OE2-NH2 3.86Å
47R96.4Very high97.8Very high64 Ų6448.9 Ų48.924%0.24224%0.24CC..EExtended strand (participates in β ladder)trans-134.5124.3-177.1-177.6-176.9-72.4-126.9-0.9109.8V45 R83 L286V45-R47 WeakPolarHBondContact CG1-O 3.24Å; R47-R83 WeakPolarHBondContact CA-O 3.49Å; R47-L286 PolarHBondContact NH2-O 3.21Å
48A97.9Very high97.9Very high1 Ų148.8 Ų48.81%0.00824%0.24CC..EExtended strand (participates in β ladder)trans-112.5127.9178.800000111M40 M82 R83 W84 S85M40-A48 HydrophobicContact CE-CB 3.39Å; A48-M82 HydrophobicContact CB-CB 4.46Å; A48-M82 HydrophobicContact CB-CG 3.78Å; A48-M82 HydrophobicContact CB-SD 3.4Å; A48-M82 WeakPolarHBondContact CB-SD 3.1Å; A48-R83 PolarHBondContact N-O 2.84Å; A48-W84 HydrophobicContact CB-CD2 3.76Å; A48-W84 HydrophobicContact CB-CE3 3.67Å; A48-W84 HydrophobicContact CB-CG 4.38Å; A48-W84 HydrophobicContact CB-CH2 4.05Å; A48-W84 HydrophobicContact CB-CZ2 4.12Å; A48-W84 HydrophobicContact CB-CZ3 3.82Å; A48-W84 CarbonylContact O-C 3.56Å; A48-W84 WeakPolarHBondContact O-CA 3.45Å; A48-S85 PolarHBondContact O-N 3.36Å; A48-S85 PolarHBondContact O-OG 3.19Å
49V98.4Very high97.9Very high40 Ų4046.1 Ų46.124%0.24223%0.229CC..EExtended strand (participates in β ladder)trans-110.3109173.5-1750000108.2F51 S85 I87 L252V49-F51 HydrophobicContact CG1-CB 4.43Å; V49-F51 PolarHBondContact O-N 2.96Å; V49-S85 CarbonylContact C-O 3.5Å; V49-S85 WeakPolarHBondContact CA-O 3.36Å; V49-I87 HydrophobicContact CG1-CD1 3.87Å; V49-I87 HydrophobicContact CG1-CG1 3.94Å; V49-L252 HydrophobicContact CG2-CD2 4.16Å
50A98.6Very high97.8Very high12 Ų1245.3 Ų45.310%0.09923%0.231CC..EExtended strand (participates in β ladder)trans-70.696.8167.600000108.3L66 I69 W84 S85 V86 I87 F281A50-L66 HydrophobicContact CB-CD2 4.06Å; A50-I69 HydrophobicContact CB-CD1 3.71Å; A50-W84 HydrophobicContact CB-CE3 4.1Å; A50-W84 HydrophobicContact CB-CZ3 3.88Å; A50-S85 PolarHBondContact N-O 3.01Å; A50-V86 HydrophobicContact CB-CB 4.04Å; A50-V86 HydrophobicContact CB-CG2 3.88Å; A50-V86 VanDerWaalsContact O-CA 3.28Å; A50-V86 WeakPolarHBondContact O-CA 3.12Å; A50-V86 WeakPolarHBondContact O-CG2 3.32Å; A50-I87 PolarHBondContact O-N 2.98Å; A50-F281 HydrophobicContact CB-CE1 4.11Å; A50-F281 HydrophobicContact CB-CZ 4.09Å
51F98.7Very high97.7Very high33 Ų3346 Ų4615%0.14524%0.236CC..EExtended strand (participates in β ladder)trans-102.5102.6-177.8-174.8-170.6000110.7M6 V49 Q53 I87 W90 L244 L247 V248M6-F51 HydrophobicContact SD-CD1 4.14Å; M6-F51 HydrophobicContact SD-CE1 4.04Å; V49-F51 HydrophobicContact CG1-CB 4.43Å; V49-F51 PolarHBondContact O-N 2.96Å; F51-Q53 PolarHBondContact O-N 3.48Å; F51-Q53 PolarHBondContact O-NE2 3.29Å; F51-I87 HydrophobicContact CD1-CD1 4.43Å; F51-I87 HydrophobicContact CD2-CB 3.7Å; F51-I87 HydrophobicContact CD2-CD1 4.07Å; F51-I87 HydrophobicContact CD2-CG1 4.5Å; F51-I87 HydrophobicContact CD2-CG2 3.73Å; F51-I87 HydrophobicContact CE2-CB 4.22Å; F51-I87 HydrophobicContact CE2-CD1 4.37Å; F51-I87 HydrophobicContact CE2-CG2 3.75Å; F51-I87 HydrophobicContact CG-CB 4.34Å; F51-I87 HydrophobicContact CG-CD1 4.11Å; F51-W90 AromaticContact CE2-CD1 3.83Å; F51-W90 AromaticContact CE2-CE2 3.99Å; F51-W90 HydrophobicContact CE2-CG 4.48Å; F51-W90 AromaticContact CE2-NE1 3.52Å; F51-L244 HydrophobicContact CE1-CB 4.06Å; F51-L244 HydrophobicContact CE1-CD2 3.79Å; F51-L244 HydrophobicContact CZ-CB 4.49Å; F51-L244 HydrophobicContact CZ-CD2 3.61Å; F51-L247 HydrophobicContact CE2-CB 4.49Å; F51-L247 HydrophobicContact CE2-CD1 4.12Å; F51-L247 HydrophobicContact CZ-CB 3.91Å; F51-L247 HydrophobicContact CZ-CD1 3.71Å; F51-L247 HydrophobicContact CZ-CG 4.44Å; F51-V248 HydrophobicContact CD1-CG2 3.5Å; F51-V248 VanDerWaalsContact CD1-CG2 3.5Å; F51-V248 HydrophobicContact CE1-CG2 3.63Å; F51-V248 HydrophobicContact CG-CG2 4.37Å
52T98.4Very high97.8Very high15 Ų1544.8 Ų44.89%0.09223%0.231CC..  trans-63137.6176.5-166.30000111.1Y54 T62 I87 D88 W90T52-Y54 VanDerWaalsContact C-N 3.29Å; T52-Y54 VanDerWaalsContact CG2-O 3.22Å; T52-Y54 WeakPolarHBondContact CG2-O 3.32Å; T52-Y54 WeakPolarHBondContact OG1-CD2 3.2Å; T52-Y54 PolarHBondContact OG1-N 3.45Å; T52-T62 HydrophobicContact CG2-CG2 4.07Å; T52-T62 PolarHBondContact OG1-OG1 2.99Å; T52-I87 WeakPolarHBondContact CG2-O 3.23Å; T52-I87 PolarHBondContact N-O 2.91Å; T52-I87 VanDerWaalsContact N-O 3.11Å; T52-D88 VanDerWaalsContact CG2-C 3.49Å; T52-D88 VanDerWaalsContact CG2-O 3.3Å; T52-D88 WeakPolarHBondContact CG2-O 3.1Å; T52-W90 PolarHBondContact O-NE1 3.3Å
53Q97.9Very high97.8Very high77 Ų7735.9 Ų35.936%0.3620%0.198SC..SBendtrans-89.22.5173.5-60.6-53.5-6300112.8F51 P55F51-Q53 PolarHBondContact O-N 3.48Å; F51-Q53 PolarHBondContact O-NE2 3.29Å; Q53-P55 WeakPolarHBondContact O-CD 3.29Å
54Y98.1Very high97.8Very high73 Ų7333.1 Ų33.129%0.28619%0.185SC..  trans-93.9111.9171.1-57.4-78.1000109.4T52 Q56 T61 F200T52-Y54 VanDerWaalsContact C-N 3.29Å; T52-Y54 VanDerWaalsContact CG2-O 3.22Å; T52-Y54 WeakPolarHBondContact CG2-O 3.32Å; T52-Y54 WeakPolarHBondContact OG1-CD2 3.2Å; T52-Y54 PolarHBondContact OG1-N 3.45Å; Y54-Q56 PolarHBondContact O-N 3.21Å; Y54-T61 HydrophobicContact CD1-CG2 4.3Å; Y54-T61 HydrophobicContact CE1-CG2 4.05Å; Y54-T61 HydrophobicContact CE2-CG2 4.47Å; Y54-F200 HydrophobicContact CD1-CE1 4.47Å; Y54-F200 HydrophobicContact CE1-CD1 4.44Å; Y54-F200 AromaticContact CE1-CE1 3.77Å; Y54-F200 HydrophobicContact CE1-CE1 3.77Å; Y54-F200 HydrophobicContact CE1-CZ 4.11Å
55P98.5Very high97.9Very high0 Ų031.7 Ų31.70%017%0.166CC..SBendtrans-59.5-38.4178.9-16.324.4000112.5Q53 W90 P91 L96 T201Q53-P55 WeakPolarHBondContact O-CD 3.29Å; P55-W90 HydrophobicContact CB-CD2 3.86Å; P55-W90 HydrophobicContact CB-CE3 3.75Å; P55-W90 HydrophobicContact CB-CH2 4.16Å; P55-W90 HydrophobicContact CB-CZ2 4.23Å; P55-W90 HydrophobicContact CB-CZ3 3.92Å; P55-W90 HydrophobicContact CG-CD2 4.35Å; P55-W90 HydrophobicContact CG-CE3 4.07Å; P55-W90 HydrophobicContact CG-CH2 3.58Å; P55-W90 HydrophobicContact CG-CZ2 3.85Å; P55-W90 HydrophobicContact CG-CZ3 3.7Å; P55-W90 CarbonylContact O-C 3.56Å; P55-W90 PolarHBondContact O-N 3.17Å; P55-P91 WeakPolarHBondContact O-CD 3.42Å; P55-P91 VanDerWaalsContact O-N 3.13Å; P55-L96 HydrophobicContact CB-CD2 3.62Å; P55-L96 HydrophobicContact CG-CD2 3.95Å; P55-T201 HydrophobicContact CG-CG2 3.98Å
56Q98.8Very high98Very high1 Ų130.6 Ų30.61%0.00516%0.159CC..SBendtrans-99.1126178.8-51.284.93.900110.3Y54 S58 P91 Y139 E142 V143 T146 I198Y54-Q56 PolarHBondContact O-N 3.21Å; Q56-S58 PolarHBondContact O-N 3.08Å; Q56-P91 HydrophobicContact CG-CB 4.05Å; Q56-Y139 HydrophobicContact CB-CD2 3.79Å; Q56-Y139 HydrophobicContact CB-CE2 3.96Å; Q56-E142 WeakPolarHBondContact CA-OE2 3.34Å; Q56-E142 HydrophobicContact CB-CB 3.81Å; Q56-E142 HydrophobicContact CG-CB 4.04Å; Q56-V143 HydrophobicContact CB-CG2 3.95Å; Q56-V143 HydrophobicContact CG-CB 4.39Å; Q56-V143 HydrophobicContact CG-CG2 3.71Å; Q56-T146 PolarHBondContact NE2-OG1 3.35Å; Q56-I198 PolarHBondContact NE2-O 3.43Å
57Y98.8Very high98.1Very high12 Ų1224 Ų245%0.04713%0.128CC..  trans-71.4128.5179.6-174.2-76.1000110.9T62 G63 L66 D88 P138 Y139 E142 L262Y57-T62 HydrophobicContact CD2-CG2 3.65Å; Y57-T62 HydrophobicContact CE2-CG2 3.65Å; Y57-G63 WeakPolarHBondContact OH-CA 3.33Å; Y57-L66 HydrophobicContact CE2-CD1 4.37Å; Y57-D88 HydrophobicContact CD2-CB 4.3Å; Y57-D88 WeakPolarHBondContact CD2-O 3.41Å; Y57-D88 HydrophobicContact CE2-CB 4.46Å; Y57-P138 HydrophobicContact CD1-CG 3.57Å; Y57-P138 HydrophobicContact CE1-CG 4.33Å; Y57-P138 HydrophobicContact CG-CG 4.37Å; Y57-Y139 WeakPolarHBondContact O-CA 3.06Å; Y57-Y139 VanDerWaalsContact O-CB 3.31Å; Y57-Y139 WeakPolarHBondContact O-CB 3.4Å; Y57-Y139 PolarHBondContact O-N 2.7Å; Y57-E142 PolarHBondContact N-OE2 3.19Å; Y57-L262 HydrophobicContact CE2-CD1 3.88Å
58S98.6Very high98.2Very high1 Ų121 Ų211%0.00712%0.118CC..  trans-122.9148.1158.5173.10000110.2Q56 S60 T61 T62 G63 D137Q56-S58 PolarHBondContact O-N 3.08Å; S58-S60 PolarHBondContact O-N 2.99Å; S58-S60 PolarHBondContact OG-N 2.92Å; S58-S60 PolarHBondContact OG-OG 2.93Å; S58-T61 WeakPolarHBondContact CB-OG1 3.42Å; S58-T61 PolarHBondContact O-N 3.35Å; S58-T62 PolarHBondContact O-N 2.95Å; S58-G63 PolarHBondContact O-N 3Å; S58-D137 WeakPolarHBondContact CA-OD1 3.44Å; S58-D137 PolarHBondContact OG-OD1 3.14Å; S58-D137 PolarHBondContact OG-OD2 2.88Å
59C97.5Very high98.2Very high19 Ų1921.6 Ų21.613%0.12812%0.12CC..THydrogen-bonded Turntrans-64.3-22.9169.2-79.20000112.5S64 D137 C266C59-S64 PolarHBondContact O-N 3.14Å; C59-D137 VanDerWaalsContact CB-OD2 3.25Å; C59-D137 WeakPolarHBondContact CB-OD2 3.19Å; C59-D137 PolarHBondContact N-OD2 2.85Å; C59-C266 PolarHBondContact SG-SG 3.41Å
60S95.9Very high98.1Very high54 Ų5421.6 Ų21.638%0.37812%0.116SC..THydrogen-bonded Turntrans-80.6-21.5176.660.10000113.7S58 S64S58-S60 PolarHBondContact O-N 2.99Å; S58-S60 PolarHBondContact OG-N 2.92Å; S58-S60 PolarHBondContact OG-OG 2.93Å; S60-S64 WeakPolarHBondContact O-CB 3.34Å
61T97.4Very high98.1Very high32 Ų3225.1 Ų25.120%0.19613%0.127CC..THydrogen-bonded Turntrans-108.9-89-178.5590000111.4Y54 S58 G63 S64 S65Y54-T61 HydrophobicContact CD1-CG2 4.3Å; Y54-T61 HydrophobicContact CE1-CG2 4.05Å; Y54-T61 HydrophobicContact CE2-CG2 4.47Å; S58-T61 WeakPolarHBondContact CB-OG1 3.42Å; S58-T61 PolarHBondContact O-N 3.35Å; T61-G63 VanDerWaalsContact C-N 3.28Å; T61-G63 PolarHBondContact O-N 2.92Å; T61-S64 WeakPolarHBondContact O-CB 3.32Å; T61-S64 PolarHBondContact O-N 3.4Å; T61-S65 PolarHBondContact O-N 3Å; T61-S65 VanDerWaalsContact O-N 3.12Å; T61-S65 PolarHBondContact O-OG 2.91Å
62T98.6Very high98Very high1 Ų124.3 Ų24.31%0.00612%0.123CC..Hα-helixtrans-53.7-46.8177.6-57.60000110.7T52 Y57 S58 S64 S65 L66 D88T52-T62 HydrophobicContact CG2-CG2 4.07Å; T52-T62 PolarHBondContact OG1-OG1 2.99Å; Y57-T62 HydrophobicContact CD2-CG2 3.65Å; Y57-T62 HydrophobicContact CE2-CG2 3.65Å; S58-T62 PolarHBondContact O-N 2.95Å; T62-S64 VanDerWaalsContact C-N 3.28Å; T62-S64 PolarHBondContact O-N 2.85Å; T62-S65 PolarHBondContact O-N 2.86Å; T62-S65 VanDerWaalsContact O-N 3.13Å; T62-L66 HydrophobicContact CG2-CD1 3.84Å; T62-L66 HydrophobicContact CG2-CG 4.01Å; T62-L66 WeakPolarHBondContact O-CG 3.49Å; T62-L66 PolarHBondContact O-N 3.09Å; T62-D88 HydrophobicContact CG2-CB 4.36Å; T62-D88 WeakPolarHBondContact CG2-O 3.15Å
63G98.3Very high97.9Very high2 Ų223.9 Ų23.92%0.02112%0.12CC..Hα-helixtrans-60-35.4178.900000113.9Y57 S58 T61 N67Y57-G63 WeakPolarHBondContact OH-CA 3.33Å; S58-G63 PolarHBondContact O-N 3Å; T61-G63 VanDerWaalsContact C-N 3.28Å; T61-G63 PolarHBondContact O-N 2.92Å; G63-N67 VanDerWaalsContact O-CB 3.29Å; G63-N67 WeakPolarHBondContact O-CB 3.4Å; G63-N67 PolarHBondContact O-N 3.36Å; G63-N67 PolarHBondContact O-ND2 3.38Å; G63-N67 VanDerWaalsContact O-ND2 3.14Å
64S98.1Very high97.7Very high21 Ų2122.6 Ų22.615%0.14712%0.12CC..Hα-helixtrans-66.4-43.9175.2-176.10000111.5R27 C59 S60 T61 T62 N67 A68R27-S64 PolarHBondContact NE-OG 3.06Å; C59-S64 PolarHBondContact O-N 3.14Å; S60-S64 WeakPolarHBondContact O-CB 3.34Å; T61-S64 WeakPolarHBondContact O-CB 3.32Å; T61-S64 PolarHBondContact O-N 3.4Å; T62-S64 VanDerWaalsContact C-N 3.28Å; T62-S64 PolarHBondContact O-N 2.85Å; S64-N67 PolarHBondContact O-N 2.78Å; S64-A68 PolarHBondContact O-N 3.32Å; S64-A68 VanDerWaalsContact O-N 3.08Å
65S98.5Very high97.6Very high27 Ų2725.4 Ų25.419%0.18914%0.139CC..Hα-helixtrans-67.4-44.4179.8-53.70000111.9T61 T62 N67 A68 I69T61-S65 PolarHBondContact O-N 3Å; T61-S65 VanDerWaalsContact O-N 3.12Å; T61-S65 PolarHBondContact O-OG 2.91Å; T62-S65 PolarHBondContact O-N 2.86Å; T62-S65 VanDerWaalsContact O-N 3.13Å; S65-N67 VanDerWaalsContact C-N 3.33Å; S65-N67 PolarHBondContact O-N 3.01Å; S65-A68 WeakPolarHBondContact O-CB 3.16Å; S65-A68 PolarHBondContact O-N 2.95Å; S65-I69 PolarHBondContact O-N 3.47Å
66L98.6Very high97.4Very high8 Ų831.3 Ų31.34%0.04216%0.162CC..Hα-helixtrans-64.6-37.9175.7-61.3-177.3000112.1A50 Y57 T62 A68 I69 Y70 V86 D88 L262 T277 F281A50-L66 HydrophobicContact CB-CD2 4.06Å; Y57-L66 HydrophobicContact CE2-CD1 4.37Å; T62-L66 HydrophobicContact CG2-CD1 3.84Å; T62-L66 HydrophobicContact CG2-CG 4.01Å; T62-L66 WeakPolarHBondContact O-CG 3.49Å; T62-L66 PolarHBondContact O-N 3.09Å; L66-A68 PolarHBondContact O-N 3.33Å; L66-I69 HydrophobicContact CD2-CD1 4.27Å; L66-I69 PolarHBondContact O-N 3.5Å; L66-Y70 PolarHBondContact O-N 2.84Å; L66-Y70 VanDerWaalsContact O-N 3.11Å; L66-V86 HydrophobicContact CD1-CG2 3.98Å; L66-V86 HydrophobicContact CD2-CG2 3.49Å; L66-V86 VanDerWaalsContact CD2-CG2 3.49Å; L66-V86 HydrophobicContact CG-CG2 4.38Å; L66-D88 HydrophobicContact CD1-CB 4.18Å; L66-L262 HydrophobicContact CD1-CD1 3.99Å; L66-L262 HydrophobicContact CD1-CD2 4.34Å; L66-T277 HydrophobicContact CB-CG2 3.69Å; L66-T277 WeakPolarHBondContact O-CG2 3.49Å; L66-F281 HydrophobicContact CB-CE2 4.1Å; L66-F281 HydrophobicContact CD2-CE2 3.89Å; L66-F281 HydrophobicContact CD2-CZ 3.96Å; L66-F281 HydrophobicContact CG-CE2 4.39Å
67N98.3Very high96.9Very high10 Ų1034.6 Ų34.65%0.05320%0.195CC..Hα-helixtrans-63.9-30173.5-76-21.4000112.3G63 S64 S65 R71 T273 T277G63-N67 VanDerWaalsContact O-CB 3.29Å; G63-N67 WeakPolarHBondContact O-CB 3.4Å; G63-N67 PolarHBondContact O-N 3.36Å; G63-N67 PolarHBondContact O-ND2 3.38Å; G63-N67 VanDerWaalsContact O-ND2 3.14Å; S64-N67 PolarHBondContact O-N 2.78Å; S65-N67 VanDerWaalsContact C-N 3.33Å; S65-N67 PolarHBondContact O-N 3.01Å; N67-R71 VanDerWaalsContact O-CB 3.3Å; N67-R71 WeakPolarHBondContact O-CB 3.45Å; N67-R71 WeakPolarHBondContact O-CG 3.45Å; N67-R71 PolarHBondContact O-N 3.48Å; N67-T273 HydrophobicContact CB-CG2 4.02Å; N67-T277 VanDerWaalsContact OD1-CB 3.32Å; N67-T277 WeakPolarHBondContact OD1-CB 3.45Å; N67-T277 PolarHBondContact OD1-OG1 3.1Å
68A98.1Very high96.4Very high2 Ų237.5 Ų37.52%0.01721%0.212CC..Hα-helixtrans-67-44.1174.700000111.1T33 S64 S65 L66 Y70 R71 Y72T33-A68 HydrophobicContact CG2-CB 4.18Å; S64-A68 PolarHBondContact O-N 3.32Å; S64-A68 VanDerWaalsContact O-N 3.08Å; S65-A68 WeakPolarHBondContact O-CB 3.16Å; S65-A68 PolarHBondContact O-N 2.95Å; L66-A68 PolarHBondContact O-N 3.33Å; A68-Y70 PolarHBondContact O-N 3.41Å; A68-R71 PolarHBondContact O-N 2.71Å; A68-Y72 PolarHBondContact O-N 3.33Å
69I97.9Very high96Very high13 Ų1348.3 Ų48.37%0.06725%0.252CS..Hα-helixtrans-58-48174.8-58.1172.4000110.8T33 I37 A50 S65 L66 R71 Y72 Y73 W84 F280 F281T33-I69 HydrophobicContact CG2-CG1 3.88Å; I37-I69 HydrophobicContact CD1-CB 4.33Å; I37-I69 HydrophobicContact CD1-CG1 4.18Å; I37-I69 HydrophobicContact CD1-CG2 4.21Å; A50-I69 HydrophobicContact CB-CD1 3.71Å; S65-I69 PolarHBondContact O-N 3.47Å; L66-I69 HydrophobicContact CD2-CD1 4.27Å; L66-I69 PolarHBondContact O-N 3.5Å; I69-R71 PolarHBondContact O-N 3.36Å; I69-Y72 WeakPolarHBondContact O-CB 3.4Å; I69-Y72 PolarHBondContact O-N 3.1Å; I69-Y73 HydrophobicContact CG2-CE2 4.42Å; I69-Y73 WeakPolarHBondContact O-CD2 3.42Å; I69-W84 HydrophobicContact CD1-CH2 4.33Å; I69-W84 HydrophobicContact CD1-CZ3 4.06Å; I69-W84 HydrophobicContact CG2-CD2 4.41Å; I69-W84 HydrophobicContact CG2-CH2 4.19Å; I69-W84 HydrophobicContact CG2-CZ2 4.07Å; I69-W84 HydrophobicContact CG2-CZ3 4.42Å; I69-F280 HydrophobicContact CG2-CE1 4.2Å; I69-F281 HydrophobicContact CD1-CZ 4.13Å; I69-F281 HydrophobicContact CG2-CZ 4.32Å
70Y97.3Very high95.7Very high41 Ų4149.2 Ų49.216%0.16126%0.258CS..Hα-helixtrans-61.5-45.1177.1169.5-101.2000112.1L66 A68 Y72 Y73 S74 T273 Q276 T277 F280L66-Y70 PolarHBondContact O-N 2.84Å; L66-Y70 VanDerWaalsContact O-N 3.11Å; A68-Y70 PolarHBondContact O-N 3.41Å; Y70-Y72 VanDerWaalsContact C-N 3.32Å; Y70-Y72 PolarHBondContact O-N 3.18Å; Y70-Y73 PolarHBondContact O-N 3.02Å; Y70-S74 WeakPolarHBondContact O-CB 3.35Å; Y70-S74 PolarHBondContact O-N 3.08Å; Y70-S74 PolarHBondContact O-OG 3.24Å; Y70-T273 HydrophobicContact CD1-CG2 3.67Å; Y70-T273 HydrophobicContact CE1-CG2 4.06Å; Y70-Q276 HydrophobicContact CD1-CB 4.28Å; Y70-Q276 HydrophobicContact CD2-CB 4.43Å; Y70-Q276 HydrophobicContact CE1-CB 3.6Å; Y70-Q276 HydrophobicContact CE1-CG 4.4Å; Y70-Q276 VanDerWaalsContact CE1-OE1 3.24Å; Y70-Q276 HydrophobicContact CE2-CB 3.78Å; Y70-Q276 WeakPolarHBondContact OH-CB 3.2Å; Y70-Q276 PolarHBondContact OH-NE2 3.28Å; Y70-Q276 PolarHBondContact OH-OE1 2.97Å; Y70-Q276 VanDerWaalsContact OH-OE1 3.06Å; Y70-T277 WeakPolarHBondContact CB-OG1 3.4Å; Y70-F280 HydrophobicContact CD2-CB 3.89Å; Y70-F280 HydrophobicContact CD2-CD2 4.32Å; Y70-F280 HydrophobicContact CD2-CG 4.22Å
71R97.3Very high95.5Very high86 Ų8653.9 Ų53.933%0.32527%0.272SS..Hα-helixtrans-63.5-37179.9-78.5171.9-176.2161.60.9112.8N67 A68 I69 Y73 S74 N75 T273N67-R71 VanDerWaalsContact O-CB 3.3Å; N67-R71 WeakPolarHBondContact O-CB 3.45Å; N67-R71 WeakPolarHBondContact O-CG 3.45Å; N67-R71 PolarHBondContact O-N 3.48Å; A68-R71 PolarHBondContact O-N 2.71Å; I69-R71 PolarHBondContact O-N 3.36Å; R71-Y73 VanDerWaalsContact C-N 3.33Å; R71-Y73 PolarHBondContact O-N 3.37Å; R71-S74 WeakPolarHBondContact CA-OG 3.44Å; R71-S74 PolarHBondContact O-N 3.09Å; R71-S74 PolarHBondContact O-OG 3.02Å; R71-N75 WeakPolarHBondContact O-CB 3.46Å; R71-N75 PolarHBondContact O-N 3.13Å; R71-N75 PolarHBondContact O-ND2 3.27Å; R71-N75 PolarHBondContact O-OD1 3.46Å; R71-T273 HydrophobicContact CG-CG2 4.23Å; R71-T273 PolarHBondContact NH2-OG1 2.94Å; R71-T273 VanDerWaalsContact NH2-OG1 3.13Å
72Y96.9Very high95.4Very high15 Ų1552.8 Ų52.86%0.05926%0.264CS..Hα-helixtrans-53.4-51.9176172-91.9000110.6E34 I37 E38 A68 I69 Y70 R76E34-Y72 HydrophobicContact CB-CD2 4.03Å; E34-Y72 HydrophobicContact CG-CD2 3.97Å; I37-Y72 HydrophobicContact CB-CD1 4.34Å; I37-Y72 HydrophobicContact CB-CE1 4.23Å; I37-Y72 HydrophobicContact CD1-CD1 4.02Å; I37-Y72 HydrophobicContact CD1-CD2 4.46Å; I37-Y72 HydrophobicContact CD1-CG 3.88Å; I37-Y72 HydrophobicContact CG2-CD1 3.64Å; I37-Y72 HydrophobicContact CG2-CE1 3.34Å; I37-Y72 HydrophobicContact CG2-CG 4.35Å; E38-Y72 HydrophobicContact CG-CE2 3.82Å; E38-Y72 VanDerWaalsContact CG-OH 3.28Å; E38-Y72 WeakPolarHBondContact CG-OH 3.38Å; A68-Y72 PolarHBondContact O-N 3.33Å; I69-Y72 WeakPolarHBondContact O-CB 3.4Å; I69-Y72 PolarHBondContact O-N 3.1Å; Y70-Y72 VanDerWaalsContact C-N 3.32Å; Y70-Y72 PolarHBondContact O-N 3.18Å; Y72-R76 WeakPolarHBondContact O-CD 3.16Å; Y72-R76 VanDerWaalsContact O-CG 3.27Å; Y72-R76 WeakPolarHBondContact O-CG 3.49Å
73Y96.3Very high95.3Very high7 Ų756.4 Ų56.43%0.02728%0.278CS..Hα-helixtrans-71.4-45.6178.2-72.7-65.6000112.9I37 E41 I69 Y70 R71 N75 R76 G77 D78 P80 W84 F280I37-Y73 HydrophobicContact CG2-CE2 4.26Å; I37-Y73 WeakPolarHBondContact CG2-OH 3.46Å; E41-Y73 WeakPolarHBondContact OE1-CE1 3.41Å; E41-Y73 PolarHBondContact OE1-OH 3.13Å; I69-Y73 HydrophobicContact CG2-CE2 4.42Å; I69-Y73 WeakPolarHBondContact O-CD2 3.42Å; Y70-Y73 PolarHBondContact O-N 3.02Å; R71-Y73 VanDerWaalsContact C-N 3.33Å; R71-Y73 PolarHBondContact O-N 3.37Å; Y73-N75 VanDerWaalsContact C-N 3.31Å; Y73-N75 PolarHBondContact O-N 2.69Å; Y73-R76 PolarHBondContact O-N 3.24Å; Y73-G77 PolarHBondContact O-N 2.73Å; Y73-D78 HydrophobicContact CD1-CB 4.44Å; Y73-D78 PolarHBondContact O-N 2.98Å; Y73-P80 HydrophobicContact CD1-CG 4.08Å; Y73-P80 HydrophobicContact CD2-CG 3.95Å; Y73-P80 VanDerWaalsContact CE1-CA 3.44Å; Y73-P80 HydrophobicContact CE1-CB 3.98Å; Y73-P80 HydrophobicContact CE1-CG 4.04Å; Y73-P80 HydrophobicContact CE2-CB 4.1Å; Y73-P80 HydrophobicContact CE2-CG 3.87Å; Y73-P80 HydrophobicContact CG-CG 4.05Å; Y73-W84 HydrophobicContact CE2-CZ2 4.38Å; Y73-W84 AromaticContact CE2-NE1 3.47Å; Y73-W84 AromaticContact CZ-NE1 3.82Å; Y73-W84 PolarHBondContact OH-NE1 3.22Å; Y73-F280 HydrophobicContact CD2-CE2 4.17Å; Y73-F280 HydrophobicContact CD2-CZ 4.03Å; Y73-F280 HydrophobicContact CE2-CZ 4.33Å
74S94.8Very high95.2Very high50 Ų5056.6 Ų56.635%0.3528%0.278SS..Hα-helixtrans-64.4-35.5-175.772.20000113Y70 R71 R76Y70-S74 WeakPolarHBondContact O-CB 3.35Å; Y70-S74 PolarHBondContact O-N 3.08Å; Y70-S74 PolarHBondContact O-OG 3.24Å; R71-S74 WeakPolarHBondContact CA-OG 3.44Å; R71-S74 PolarHBondContact O-N 3.09Å; R71-S74 PolarHBondContact O-OG 3.02Å; S74-R76 VanDerWaalsContact C-N 3.34Å
75N94.3Very high95.2Very high132 Ų13255.6 Ų55.671%0.70627%0.271SS*.Hα-helixtrans-72.9-28.5-179.8-68.8-8.6000112.4R71 Y73R71-N75 WeakPolarHBondContact O-CB 3.46Å; R71-N75 PolarHBondContact O-N 3.13Å; R71-N75 PolarHBondContact O-ND2 3.27Å; R71-N75 PolarHBondContact O-OD1 3.46Å; Y73-N75 VanDerWaalsContact C-N 3.31Å; Y73-N75 PolarHBondContact O-N 2.69Å
76R94.3Very high95.3Very high124 Ų12454.4 Ų54.447%0.46826%0.263SS..Hα-helixtrans-86.2-20.3178.4-62.917271.9112.52.8112.6E38 Y72 Y73 S74 D78E38-R76 IonicContact OE1-NH1 3.16Å; E38-R76 PolarHBondContact OE1-NH1 2.83Å; Y72-R76 WeakPolarHBondContact O-CD 3.16Å; Y72-R76 VanDerWaalsContact O-CG 3.27Å; Y72-R76 WeakPolarHBondContact O-CG 3.49Å; Y73-R76 PolarHBondContact O-N 3.24Å; S74-R76 VanDerWaalsContact C-N 3.34Å; R76-D78 HydrophobicContact CB-CB 4.18Å; R76-D78 WeakPolarHBondContact CB-OD2 3.32Å; R76-D78 IonicContact NE-OD2 3.74Å; R76-D78 PolarHBondContact NE-OD2 2.94Å; R76-D78 IonicContact NH2-OD2 2.77Å; R76-D78 PolarHBondContact O-N 3.4Å
77G89.5Confident95.3Very high69 Ų6954.6 Ų54.671%0.71126%0.264SS*.THydrogen-bonded Turntrans7311.5-171.400000113.2Y73Y73-G77 PolarHBondContact O-N 2.73Å
78D88.8Confident95.3Very high74 Ų7454.2 Ų54.240%0.39626%0.261SS..PPolyproline II helixtrans-87.8148.6-177.5-70.3-29.8000110.9Y73 R76Y73-D78 HydrophobicContact CD1-CB 4.44Å; Y73-D78 PolarHBondContact O-N 2.98Å; R76-D78 HydrophobicContact CB-CB 4.18Å; R76-D78 WeakPolarHBondContact CB-OD2 3.32Å; R76-D78 IonicContact NE-OD2 3.74Å; R76-D78 PolarHBondContact NE-OD2 2.94Å; R76-D78 IonicContact NH2-OD2 2.77Å; R76-D78 PolarHBondContact O-N 3.4Å
79R88.8Confident95.3Very high227 Ų22755.7 Ų55.786%0.85727%0.267SS*.PPolyproline II helixtrans-88145.9164.4-67-173.6179.6-173.21109.4K81R79-K81 PolarHBondContact O-N 3.14Å
80P91.8Very high95.4Very high39 Ų3955.6 Ų55.625%0.25327%0.266SS..PPolyproline II helixtrans-55.3134.8172.6-23.232.1000112.3Y73 M82 F280Y73-P80 HydrophobicContact CD1-CG 4.08Å; Y73-P80 HydrophobicContact CD2-CG 3.95Å; Y73-P80 VanDerWaalsContact CE1-CA 3.44Å; Y73-P80 HydrophobicContact CE1-CB 3.98Å; Y73-P80 HydrophobicContact CE1-CG 4.04Å; Y73-P80 HydrophobicContact CE2-CB 4.1Å; Y73-P80 HydrophobicContact CE2-CG 3.87Å; Y73-P80 HydrophobicContact CG-CG 4.05Å; P80-M82 VanDerWaalsContact C-N 3.25Å; P80-M82 WeakPolarHBondContact CB-O 3.41Å; P80-F280 HydrophobicContact CG-CE2 3.59Å; P80-F280 HydrophobicContact CG-CZ 3.81Å
81K92.4Very high95.4Very high151 Ų15154.5 Ų54.566%0.65726%0.264SS*.SBendtrans-82.1-5.5172.5-61.8177.3-168.2140.60113.3E41 R79E41-K81 HydrophobicContact CG-CB 4.48Å; E41-K81 HydrophobicContact CG-CD 4.4Å; E41-K81 WeakPolarHBondContact OE2-CE 3.41Å; E41-K81 IonicContact OE2-NZ 2.73Å; E41-K81 PolarHBondContact OE2-NZ 2.65Å; R79-K81 PolarHBondContact O-N 3.14Å
82M94.8Very high95.5Very high9 Ų953.4 Ų53.44%0.04427%0.266CS..SBendtrans-129151.6-176.366.4-169.281.400110.2M40 E41 V45 A48 P80 W84M40-M82 HydrophobicContact CB-CE 3.66Å; M40-M82 HydrophobicContact CB-SD 4.01Å; M40-M82 HydrophobicContact CE-SD 3.85Å; E41-M82 HydrophobicContact CB-CE 4.13Å; E41-M82 HydrophobicContact CG-CE 3.22Å; V45-M82 WeakPolarHBondContact O-CB 3.38Å; A48-M82 HydrophobicContact CB-CB 4.46Å; A48-M82 HydrophobicContact CB-CG 3.78Å; A48-M82 HydrophobicContact CB-SD 3.4Å; A48-M82 WeakPolarHBondContact CB-SD 3.1Å; P80-M82 VanDerWaalsContact C-N 3.25Å; P80-M82 WeakPolarHBondContact CB-O 3.41Å; M82-W84 HydrophobicContact CG-CZ2 4.47Å; M82-W84 PolarHBondContact O-N 2.79Å; M82-W84 HydrophobicContact SD-CZ2 3.76Å
83R95.4Very high95.6Very high78 Ų7853.6 Ų53.629%0.29427%0.268SS..EExtended strand (participates in β ladder)trans-77.9114.3176.2-67.6175.6-69.8-174-7109.9E46 R47 A48 L286E46-R83 PolarHBondContact O-N 3.12Å; E46-R83 PolarHBondContact O-NE 2.78Å; E46-R83 IonicContact OE2-NH2 3.86Å; R47-R83 WeakPolarHBondContact CA-O 3.49Å; A48-R83 PolarHBondContact N-O 2.84Å; R83-L286 PolarHBondContact NH1-O 3.18Å
84W97.8Very high95.7Very high6 Ų657.9 Ų57.92%0.02330%0.297CS..EExtended strand (participates in β ladder)trans-86147.9179.1-79.493000112.4I37 M40 A48 A50 I69 Y73 M82 F280 F281 Q284I37-W84 HydrophobicContact CG1-CH2 4.23Å; I37-W84 HydrophobicContact CG1-CZ2 4.12Å; I37-W84 HydrophobicContact CG2-CZ2 4.41Å; M40-W84 HydrophobicContact CE-CH2 4.23Å; M40-W84 HydrophobicContact SD-CH2 4.28Å; A48-W84 HydrophobicContact CB-CD2 3.76Å; A48-W84 HydrophobicContact CB-CE3 3.67Å; A48-W84 HydrophobicContact CB-CG 4.38Å; A48-W84 HydrophobicContact CB-CH2 4.05Å; A48-W84 HydrophobicContact CB-CZ2 4.12Å; A48-W84 HydrophobicContact CB-CZ3 3.82Å; A48-W84 CarbonylContact O-C 3.56Å; A48-W84 WeakPolarHBondContact O-CA 3.45Å; A50-W84 HydrophobicContact CB-CE3 4.1Å; A50-W84 HydrophobicContact CB-CZ3 3.88Å; I69-W84 HydrophobicContact CD1-CH2 4.33Å; I69-W84 HydrophobicContact CD1-CZ3 4.06Å; I69-W84 HydrophobicContact CG2-CD2 4.41Å; I69-W84 HydrophobicContact CG2-CH2 4.19Å; I69-W84 HydrophobicContact CG2-CZ2 4.07Å; I69-W84 HydrophobicContact CG2-CZ3 4.42Å; Y73-W84 HydrophobicContact CE2-CZ2 4.38Å; Y73-W84 AromaticContact CE2-NE1 3.47Å; Y73-W84 AromaticContact CZ-NE1 3.82Å; Y73-W84 PolarHBondContact OH-NE1 3.22Å; M82-W84 HydrophobicContact CG-CZ2 4.47Å; M82-W84 PolarHBondContact O-N 2.79Å; M82-W84 HydrophobicContact SD-CZ2 3.76Å; W84-F280 HydrophobicContact CB-CE1 4.14Å; W84-F280 HydrophobicContact CB-CZ 4.33Å; W84-F280 AromaticContact CD1-CZ 3.8Å; W84-F280 HydrophobicContact CG-CE1 4.09Å; W84-F280 HydrophobicContact CG-CZ 4.02Å; W84-F281 HydrophobicContact CB-CD1 4.37Å; W84-F281 HydrophobicContact CB-CE1 4.11Å; W84-F281 HydrophobicContact CE3-CE1 4.13Å; W84-Q284 HydrophobicContact CB-CG 3.99Å; W84-Q284 WeakPolarHBondContact O-CB 3.27Å; W84-Q284 WeakPolarHBondContact O-CG 3.26Å
85S98.5Very high95.9Very high0 Ų057.2 Ų57.20%029%0.289CS..EExtended strand (participates in β ladder)trans-149.7170162.960.30000108.2A48 V49 A50 H251 P257A48-S85 PolarHBondContact O-N 3.36Å; A48-S85 PolarHBondContact O-OG 3.19Å; V49-S85 CarbonylContact C-O 3.5Å; V49-S85 WeakPolarHBondContact CA-O 3.36Å; A50-S85 PolarHBondContact N-O 3.01Å; S85-H251 VanDerWaalsContact CB-NE2 3.28Å; S85-H251 WeakPolarHBondContact CB-NE2 3.35Å; S85-H251 PolarHBondContact OG-NE2 3.08Å; S85-P257 CarbonylContact C-O 3.58Å; S85-P257 WeakPolarHBondContact CA-O 3.48Å
86V98.6Very high96.1Very high1 Ų151 Ų511%0.00626%0.255CS..EExtended strand (participates in β ladder)trans-141.8133.6-175.9610000111.4A50 L66 D88 H251 P257 C258 L262 F281A50-V86 HydrophobicContact CB-CB 4.04Å; A50-V86 HydrophobicContact CB-CG2 3.88Å; A50-V86 VanDerWaalsContact O-CA 3.28Å; A50-V86 WeakPolarHBondContact O-CA 3.12Å; A50-V86 WeakPolarHBondContact O-CG2 3.32Å; L66-V86 HydrophobicContact CD1-CG2 3.98Å; L66-V86 HydrophobicContact CD2-CG2 3.49Å; L66-V86 VanDerWaalsContact CD2-CG2 3.49Å; L66-V86 HydrophobicContact CG-CG2 4.38Å; V86-D88 HydrophobicContact CG1-CB 4.41Å; V86-D88 HydrophobicContact CG2-CB 3.75Å; V86-H251 PolarHBondContact O-CE1 3.41Å; V86-P257 WeakPolarHBondContact CG1-O 3.06Å; V86-P257 PolarHBondContact N-O 2.92Å; V86-C258 HydrophobicContact CG1-CB 3.41Å; V86-C258 VanDerWaalsContact CG1-CB 3.41Å; V86-L262 HydrophobicContact CG1-CD2 3.56Å; V86-F281 HydrophobicContact CB-CD1 3.77Å; V86-F281 HydrophobicContact CB-CE1 3.82Å; V86-F281 HydrophobicContact CB-CG 4.23Å; V86-F281 HydrophobicContact CB-CZ 4.33Å; V86-F281 HydrophobicContact CG1-CB 4Å; V86-F281 HydrophobicContact CG1-CD1 3.7Å; V86-F281 HydrophobicContact CG1-CD2 4.3Å; V86-F281 HydrophobicContact CG1-CE1 4.24Å; V86-F281 HydrophobicContact CG1-CG 3.73Å
87I98.7Very high96.3Very high12 Ų1245.6 Ų45.66%0.06224%0.236CC..EExtended strand (participates in β ladder)trans-9793.5160.3-58.9165000105.4V49 A50 F51 T52 V248 H251V49-I87 HydrophobicContact CG1-CD1 3.87Å; V49-I87 HydrophobicContact CG1-CG1 3.94Å; A50-I87 PolarHBondContact O-N 2.98Å; F51-I87 HydrophobicContact CD1-CD1 4.43Å; F51-I87 HydrophobicContact CD2-CB 3.7Å; F51-I87 HydrophobicContact CD2-CD1 4.07Å; F51-I87 HydrophobicContact CD2-CG1 4.5Å; F51-I87 HydrophobicContact CD2-CG2 3.73Å; F51-I87 HydrophobicContact CE2-CB 4.22Å; F51-I87 HydrophobicContact CE2-CD1 4.37Å; F51-I87 HydrophobicContact CE2-CG2 3.75Å; F51-I87 HydrophobicContact CG-CB 4.34Å; F51-I87 HydrophobicContact CG-CD1 4.11Å; T52-I87 WeakPolarHBondContact CG2-O 3.23Å; T52-I87 PolarHBondContact N-O 2.91Å; T52-I87 VanDerWaalsContact N-O 3.11Å; I87-V248 HydrophobicContact CD1-CB 4.41Å; I87-V248 HydrophobicContact CD1-CG2 3.84Å; I87-H251 HydrophobicContact CD1-CB 3.65Å; I87-H251 HydrophobicContact CG1-CB 3.69Å; I87-H251 VanDerWaalsContact CG1-CG 3.45Å
88D98.7Very high96.7Very high2 Ų243.9 Ų43.91%0.01121%0.21CC..  trans-90-13-169.464.4-79.3000113.9T52 Y57 T62 L66 V86 S259 L262T52-D88 VanDerWaalsContact CG2-C 3.49Å; T52-D88 VanDerWaalsContact CG2-O 3.3Å; T52-D88 WeakPolarHBondContact CG2-O 3.1Å; Y57-D88 HydrophobicContact CD2-CB 4.3Å; Y57-D88 WeakPolarHBondContact CD2-O 3.41Å; Y57-D88 HydrophobicContact CE2-CB 4.46Å; T62-D88 HydrophobicContact CG2-CB 4.36Å; T62-D88 WeakPolarHBondContact CG2-O 3.15Å; L66-D88 HydrophobicContact CD1-CB 4.18Å; V86-D88 HydrophobicContact CG1-CB 4.41Å; V86-D88 HydrophobicContact CG2-CB 3.75Å; D88-S259 WeakPolarHBondContact OD1-CB 3.18Å; D88-S259 PolarHBondContact OD1-N 3.23Å; D88-S259 PolarHBondContact OD1-OG 3.49Å; D88-S259 PolarHBondContact OD2-OG 3.4Å; D88-L262 HydrophobicContact CB-CD1 4.27Å; D88-L262 HydrophobicContact CB-CD2 4.34Å
89R98.8Very high97.2Very high34 Ų3440.4 Ų40.413%0.12819%0.191CC..  trans-165.2156177.269-165.473.3-159.44.2111.2E142 S259R89-E142 WeakPolarHBondContact CD-OE1 3.47Å; R89-E142 IonicContact CZ-OE1 3.11Å; R89-E142 IonicContact NE-OE1 2.65Å; R89-E142 IonicContact NH1-OE1 3.72Å; R89-E142 PolarHBondContact NH1-OE1 3.14Å; R89-S259 PolarHBondContact NE-OG 3.44Å
90W98.8Very high97.6Very high11 Ų1129.8 Ų29.84%0.04215%0.151CC..  trans-16147.5-178.743.4-81.1000112F51 T52 P55 T92 H93 L96 T201 F240 L244 L247F51-W90 AromaticContact CE2-CD1 3.83Å; F51-W90 AromaticContact CE2-CE2 3.99Å; F51-W90 HydrophobicContact CE2-CG 4.48Å; F51-W90 AromaticContact CE2-NE1 3.52Å; T52-W90 PolarHBondContact O-NE1 3.3Å; P55-W90 HydrophobicContact CB-CD2 3.86Å; P55-W90 HydrophobicContact CB-CE3 3.75Å; P55-W90 HydrophobicContact CB-CH2 4.16Å; P55-W90 HydrophobicContact CB-CZ2 4.23Å; P55-W90 HydrophobicContact CB-CZ3 3.92Å; P55-W90 HydrophobicContact CG-CD2 4.35Å; P55-W90 HydrophobicContact CG-CE3 4.07Å; P55-W90 HydrophobicContact CG-CH2 3.58Å; P55-W90 HydrophobicContact CG-CZ2 3.85Å; P55-W90 HydrophobicContact CG-CZ3 3.7Å; P55-W90 CarbonylContact O-C 3.56Å; P55-W90 PolarHBondContact O-N 3.17Å; W90-T92 PolarHBondContact O-N 2.92Å; W90-T92 VanDerWaalsContact O-N 3.14Å; W90-H93 PolarHBondContact O-N 3.26Å; W90-L96 HydrophobicContact CE3-CB 4.46Å; W90-L96 HydrophobicContact CE3-CD2 3.79Å; W90-L96 HydrophobicContact CZ3-CB 4.29Å; W90-L96 HydrophobicContact CZ3-CD1 3.9Å; W90-L96 HydrophobicContact CZ3-CD2 3.8Å; W90-L96 HydrophobicContact CZ3-CG 4.2Å; W90-T201 HydrophobicContact CH2-CG2 4.01Å; W90-F240 AromaticContact CH2-CE2 3.76Å; W90-F240 HydrophobicContact CH2-CE2 3.76Å; W90-F240 AromaticContact CH2-CZ 3.83Å; W90-F240 HydrophobicContact CH2-CZ 3.83Å; W90-F240 AromaticContact CZ3-CE2 3.91Å; W90-F240 HydrophobicContact CZ3-CE2 3.91Å; W90-F240 HydrophobicContact CZ3-CZ 4.44Å; W90-L244 HydrophobicContact CH2-CD2 4.34Å; W90-L247 HydrophobicContact CB-CD1 3.92Å; W90-L247 HydrophobicContact CB-CD2 3.66Å; W90-L247 HydrophobicContact CB-CG 4.49Å; W90-L247 HydrophobicContact CD2-CD1 3.69Å; W90-L247 HydrophobicContact CE3-CD1 3.69Å; W90-L247 HydrophobicContact CG-CD1 3.8Å; W90-L247 HydrophobicContact CG-CD2 4.35Å; W90-L247 HydrophobicContact CZ3-CD1 4.36Å
91P98.7Very high98Very high18 Ų1828 Ų2812%0.11714%0.139CC..THydrogen-bonded Turntrans-67.9-21.5-166.329.2-38000114.2P55 Q56 E142 T146P55-P91 WeakPolarHBondContact O-CD 3.42Å; P55-P91 VanDerWaalsContact O-N 3.13Å; Q56-P91 HydrophobicContact CG-CB 4.05Å; P91-E142 HydrophobicContact CB-CB 4.08Å; P91-E142 HydrophobicContact CG-CB 4.31Å; P91-E142 HydrophobicContact CG-CG 4.31Å; P91-T146 WeakPolarHBondContact O-CB 3.13Å; P91-T146 WeakPolarHBondContact O-CG2 3.23Å; P91-T146 PolarHBondContact O-OG1 2.95Å
92T98.7Very high98.2Very high63 Ų6324.1 Ų24.139%0.38712%0.124SC..THydrogen-bonded Turntrans-124.925.7-174.461.20000112.3W90 A145 R149W90-T92 PolarHBondContact O-N 2.92Å; W90-T92 VanDerWaalsContact O-N 3.14Å; T92-A145 HydrophobicContact CG2-CB 3.97Å; T92-R149 HydrophobicContact CG2-CG 3.68Å
93H98.8Very high98.4Very high19 Ų1924.5 Ų24.59%0.08813%0.125CC..  trans-58.8130.4175.8-174.6-85.8000110W90 L95 L96 V97 D246 L247W90-H93 PolarHBondContact O-N 3.26Å; H93-L95 VanDerWaalsContact C-N 3.29Å; H93-L95 PolarHBondContact ND1-N 2.69Å; H93-L95 PolarHBondContact O-N 3.07Å; H93-L96 HydrophobicContact CB-CB 4.03Å; H93-L96 WeakPolarHBondContact O-CB 3.48Å; H93-L96 PolarHBondContact O-N 3.13Å; H93-L96 VanDerWaalsContact O-N 3.13Å; H93-V97 WeakPolarHBondContact O-CG2 3.45Å; H93-V97 PolarHBondContact O-N 2.87Å; H93-D246 IonicContact CD2-OD2 3.38Å; H93-D246 IonicContact CE1-OD2 3.59Å; H93-D246 PolarHBondContact CE1-OD2 3.34Å; H93-D246 IonicContact NE2-OD2 3.66Å; H93-D246 PolarHBondContact NE2-OD2 3.39Å; H93-L247 HydrophobicContact CB-CD2 4.41Å; H93-L247 WeakPolarHBondContact CD2-CD2 3.33Å; H93-L247 VanDerWaalsContact CD2-CG 3.49Å; H93-L247 WeakPolarHBondContact CD2-CG 3.25Å
94P98.7Very high98.6Very high97 Ų9720.8 Ų20.863%0.6311%0.111SC*.Hα-helixtrans-58.1-37.2-173.5-27.735.4000114.3V97 E98P94-V97 PolarHBondContact O-N 3.5Å; P94-E98 PolarHBondContact O-N 2.9Å
95L98.6Very high98.6Very high36 Ų3624.2 Ų24.219%0.18812%0.124CC..Hα-helixtrans-76.7-31.2179.6-59.1-177.9000111.9H93 V97 E98 C99 L239 K242 A243 D246H93-L95 VanDerWaalsContact C-N 3.29Å; H93-L95 PolarHBondContact ND1-N 2.69Å; H93-L95 PolarHBondContact O-N 3.07Å; L95-V97 VanDerWaalsContact C-N 3.34Å; L95-E98 PolarHBondContact O-N 3.34Å; L95-C99 PolarHBondContact O-N 3.37Å; L95-C99 PolarHBondContact O-SG 2.95Å; L95-L239 HydrophobicContact CD2-CD1 4.04Å; L95-K242 HydrophobicContact CD1-CB 4.38Å; L95-K242 HydrophobicContact CD1-CD 4.2Å; L95-K242 HydrophobicContact CD1-CG 3.91Å; L95-A243 HydrophobicContact CB-CB 3.55Å; L95-A243 HydrophobicContact CD1-CB 4.38Å; L95-D246 HydrophobicContact CD1-CB 4.28Å
96L98.6Very high98.6Very high0 Ų028.5 Ų28.50%015%0.147CC..Hα-helixtrans-59.5-48168.4173.564.7000110.7P55 W90 H93 E98 C99 F100 L234 F240P55-L96 HydrophobicContact CB-CD2 3.62Å; P55-L96 HydrophobicContact CG-CD2 3.95Å; W90-L96 HydrophobicContact CE3-CB 4.46Å; W90-L96 HydrophobicContact CE3-CD2 3.79Å; W90-L96 HydrophobicContact CZ3-CB 4.29Å; W90-L96 HydrophobicContact CZ3-CD1 3.9Å; W90-L96 HydrophobicContact CZ3-CD2 3.8Å; W90-L96 HydrophobicContact CZ3-CG 4.2Å; H93-L96 HydrophobicContact CB-CB 4.03Å; H93-L96 WeakPolarHBondContact O-CB 3.48Å; H93-L96 PolarHBondContact O-N 3.13Å; H93-L96 VanDerWaalsContact O-N 3.13Å; L96-E98 VanDerWaalsContact C-N 3.32Å; L96-E98 PolarHBondContact O-N 3.07Å; L96-C99 PolarHBondContact O-N 3.35Å; L96-F100 HydrophobicContact CD1-CD2 3.85Å; L96-F100 HydrophobicContact CD1-CE2 3.4Å; L96-F100 HydrophobicContact CD1-CZ 4.22Å; L96-F100 HydrophobicContact CD2-CE2 4.38Å; L96-F100 HydrophobicContact CG-CD2 4.02Å; L96-F100 HydrophobicContact CG-CE2 3.84Å; L96-F100 WeakPolarHBondContact O-CD2 3.26Å; L96-F100 PolarHBondContact O-N 3.32Å; L96-F100 VanDerWaalsContact O-N 3.13Å; L96-L234 HydrophobicContact CD1-CD1 3.51Å; L96-F240 HydrophobicContact CD1-CE2 4.23Å
97V98.8Very high98.5Very high12 Ų1229.1 Ų29.17%0.07315%0.15CC..Hα-helixtrans-61.7-41.6179.3171.90000110.9H93 P94 L95 F100 A101 R149 V150 R153H93-V97 WeakPolarHBondContact O-CG2 3.45Å; H93-V97 PolarHBondContact O-N 2.87Å; P94-V97 PolarHBondContact O-N 3.5Å; L95-V97 VanDerWaalsContact C-N 3.34Å; V97-F100 PolarHBondContact O-N 3.19Å; V97-A101 WeakPolarHBondContact O-CB 3.39Å; V97-A101 PolarHBondContact O-N 3.35Å; V97-R149 HydrophobicContact CG1-CB 4.14Å; V97-R149 WeakPolarHBondContact CG1-O 3.33Å; V97-R149 HydrophobicContact CG2-CB 3.64Å; V97-R149 HydrophobicContact CG2-CG 4.49Å; V97-V150 HydrophobicContact CG1-CG2 4.23Å; V97-R153 HydrophobicContact CG1-CB 3.77Å; V97-R153 HydrophobicContact CG1-CG 4.19Å
98E98.6Very high98.5Very high33 Ų3329 Ų2915%0.15415%0.149CC..Hα-helixtrans-62.8-46175.2-170.265.4-128.600111.9P94 L95 L96 F100 A101 E102 R105 R153 L239P94-E98 PolarHBondContact O-N 2.9Å; L95-E98 PolarHBondContact O-N 3.34Å; L96-E98 VanDerWaalsContact C-N 3.32Å; L96-E98 PolarHBondContact O-N 3.07Å; E98-F100 VanDerWaalsContact C-N 3.31Å; E98-F100 PolarHBondContact O-N 3.26Å; E98-A101 PolarHBondContact O-N 3.12Å; E98-A101 VanDerWaalsContact O-N 3.1Å; E98-E102 HydrophobicContact CG-CG 4.19Å; E98-E102 WeakPolarHBondContact O-CG 3.47Å; E98-E102 PolarHBondContact O-N 3.46Å; E98-R105 IonicContact OE1-NH1 2.92Å; E98-R105 PolarHBondContact OE1-NH1 3.2Å; E98-R105 VanDerWaalsContact OE1-NH1 3.11Å; E98-R153 IonicContact OE1-CZ 3.54Å; E98-R153 IonicContact OE1-NE 3.59Å; E98-R153 IonicContact OE1-NH2 2.91Å; E98-R153 PolarHBondContact OE1-NH2 3.28Å; E98-R153 IonicContact OE2-CZ 3.13Å; E98-R153 IonicContact OE2-NE 2.66Å; E98-R153 PolarHBondContact OE2-NE 3.07Å; E98-R153 IonicContact OE2-NH2 2.76Å; E98-R153 PolarHBondContact OE2-NH2 2.83Å; E98-L239 HydrophobicContact CB-CD2 3.97Å; E98-L239 HydrophobicContact CG-CD2 3.66Å
99C98.3Very high98.5Very high0 Ų034.1 Ų34.10%018%0.176CC..Hα-helixtrans-56.9-46.3179.4-64.80000111.3L95 L96 E102 H103 L234 F240L95-C99 PolarHBondContact O-N 3.37Å; L95-C99 PolarHBondContact O-SG 2.95Å; L96-C99 PolarHBondContact O-N 3.35Å; C99-E102 PolarHBondContact O-N 3.02Å; C99-H103 WeakPolarHBondContact O-CB 3.25Å; C99-H103 PolarHBondContact O-CD2 3.3Å; C99-H103 PolarHBondContact O-N 3.35Å; C99-L234 HydrophobicContact CB-CD2 3.81Å; C99-F240 PolarHBondContact SG-N 2.95Å
100F98.6Very high98.4Very high5 Ų537.8 Ų37.82%0.02219%0.193CC..Hα-helixtrans-63.2-44175.7-78.7-56.7000112.4L96 V97 E98 E102 H103 I104 T146 V150 V196 P197 I198 L234L96-F100 HydrophobicContact CD1-CD2 3.85Å; L96-F100 HydrophobicContact CD1-CE2 3.4Å; L96-F100 HydrophobicContact CD1-CZ 4.22Å; L96-F100 HydrophobicContact CD2-CE2 4.38Å; L96-F100 HydrophobicContact CG-CD2 4.02Å; L96-F100 HydrophobicContact CG-CE2 3.84Å; L96-F100 WeakPolarHBondContact O-CD2 3.26Å; L96-F100 PolarHBondContact O-N 3.32Å; L96-F100 VanDerWaalsContact O-N 3.13Å; V97-F100 PolarHBondContact O-N 3.19Å; E98-F100 VanDerWaalsContact C-N 3.31Å; E98-F100 PolarHBondContact O-N 3.26Å; F100-E102 PolarHBondContact O-N 3.29Å; F100-H103 PolarHBondContact O-N 3.34Å; F100-I104 WeakPolarHBondContact O-CB 3.46Å; F100-I104 WeakPolarHBondContact O-CD1 3.47Å; F100-I104 WeakPolarHBondContact O-CG1 3.43Å; F100-I104 PolarHBondContact O-N 3.32Å; F100-T146 HydrophobicContact CD2-CG2 4.41Å; F100-T146 HydrophobicContact CE2-CG2 4.25Å; F100-V150 HydrophobicContact CB-CG1 4.14Å; F100-V150 HydrophobicContact CB-CG2 3.7Å; F100-V150 HydrophobicContact CD2-CG2 4.19Å; F100-V150 HydrophobicContact CG-CG2 4.29Å; F100-V196 HydrophobicContact CD1-CG1 4.37Å; F100-P197 WeakPolarHBondContact CE1-O 3.31Å; F100-I198 HydrophobicContact CD1-CD1 4.01Å; F100-I198 HydrophobicContact CD2-CD1 3.78Å; F100-I198 HydrophobicContact CE1-CD1 4.04Å; F100-I198 HydrophobicContact CE2-CD1 3.78Å; F100-I198 HydrophobicContact CG-CD1 3.9Å; F100-I198 HydrophobicContact CZ-CD1 3.93Å; F100-I198 WeakPolarHBondContact CZ-O 3.39Å; F100-L234 HydrophobicContact CD1-CD2 3.98Å; F100-L234 HydrophobicContact CE1-CD1 4.49Å; F100-L234 HydrophobicContact CE1-CD2 3.92Å; F100-L234 HydrophobicContact CE1-CG 4.32Å; F100-L234 HydrophobicContact CE2-CD1 4.41Å; F100-L234 HydrophobicContact CG-CD2 4.44Å; F100-L234 HydrophobicContact CZ-CD1 4.15Å; F100-L234 HydrophobicContact CZ-CD2 4.37Å; F100-L234 HydrophobicContact CZ-CG 4.44Å
101A98.6Very high98.4Very high0 Ų037.5 Ų37.50%019%0.192CC..Hα-helixtrans-62.7-41.6179.200000111.9V97 E98 R105 R153 L154V97-A101 WeakPolarHBondContact O-CB 3.39Å; V97-A101 PolarHBondContact O-N 3.35Å; E98-A101 PolarHBondContact O-N 3.12Å; E98-A101 VanDerWaalsContact O-N 3.1Å; A101-R105 WeakPolarHBondContact O-CB 3.31Å; A101-R105 VanDerWaalsContact O-CG 3.27Å; A101-R105 WeakPolarHBondContact O-CG 3.31Å; A101-R105 PolarHBondContact O-N 2.9Å; A101-R153 HydrophobicContact CB-CB 4.27Å; A101-R153 HydrophobicContact CB-CG 3.66Å; A101-L154 HydrophobicContact CB-CD2 3.97Å; A101-L154 HydrophobicContact CB-CG 4.22Å
102E98.3Very high98.3Very high71 Ų7139.2 Ų39.233%0.33220%0.203SC..Hα-helixtrans-62.4-47.9174.9-73.9-177.6168.100111.8E98 C99 F100 I104 R105 N106E98-E102 HydrophobicContact CG-CG 4.19Å; E98-E102 WeakPolarHBondContact O-CG 3.47Å; E98-E102 PolarHBondContact O-N 3.46Å; C99-E102 PolarHBondContact O-N 3.02Å; F100-E102 PolarHBondContact O-N 3.29Å; E102-I104 VanDerWaalsContact C-N 3.32Å; E102-I104 PolarHBondContact O-N 2.94Å; E102-R105 PolarHBondContact O-N 2.82Å; E102-N106 WeakPolarHBondContact O-CB 3.4Å; E102-N106 PolarHBondContact O-N 3.01Å; E102-N106 PolarHBondContact O-ND2 3.03Å
103H98.2Very high98.2Very high17 Ų1742.1 Ų42.18%0.07922%0.217CC..Hα-helixtrans-62.7-40.4179.7-73.3-153.1000111.6C99 F100 N106 E107 E232 S233 N237C99-H103 WeakPolarHBondContact O-CB 3.25Å; C99-H103 PolarHBondContact O-CD2 3.3Å; C99-H103 PolarHBondContact O-N 3.35Å; F100-H103 PolarHBondContact O-N 3.34Å; H103-N106 PolarHBondContact O-N 3.16Å; H103-E107 WeakPolarHBondContact O-CB 3.46Å; H103-E107 PolarHBondContact O-N 3.41Å; H103-E232 PolarHBondContact ND1-O 3.47Å; H103-S233 PolarHBondContact CE1-O 3.3Å; H103-S233 VanDerWaalsContact CE1-O 3.27Å; H103-N237 PolarHBondContact NE2-ND2 3.34Å
104I98.5Very high98.1Very high0 Ų047.4 Ų47.40%025%0.245CC..Hα-helixtrans-64.4-47.6175.3-70.2164.8000111.2F100 E102 N106 E107 L108 I121 F123 V150 L154 L194 V196F100-I104 WeakPolarHBondContact O-CB 3.46Å; F100-I104 WeakPolarHBondContact O-CD1 3.47Å; F100-I104 WeakPolarHBondContact O-CG1 3.43Å; F100-I104 PolarHBondContact O-N 3.32Å; E102-I104 VanDerWaalsContact C-N 3.32Å; E102-I104 PolarHBondContact O-N 2.94Å; I104-N106 VanDerWaalsContact C-N 3.32Å; I104-N106 PolarHBondContact O-N 2.9Å; I104-E107 PolarHBondContact O-N 3.39Å; I104-L108 HydrophobicContact CG2-CD1 3.84Å; I104-L108 HydrophobicContact CG2-CG 4.26Å; I104-L108 WeakPolarHBondContact O-CB 3.13Å; I104-L108 VanDerWaalsContact O-CG 3.31Å; I104-L108 WeakPolarHBondContact O-CG 3.36Å; I104-L108 PolarHBondContact O-N 3.45Å; I104-I121 HydrophobicContact CG2-CD1 3.94Å; I104-F123 HydrophobicContact CD1-CE1 3.78Å; I104-F123 HydrophobicContact CD1-CZ 4.03Å; I104-V150 HydrophobicContact CD1-CG1 3.55Å; I104-L154 HydrophobicContact CB-CD1 4.23Å; I104-L154 HydrophobicContact CB-CD2 4.45Å; I104-L154 HydrophobicContact CD1-CD1 3.89Å; I104-L154 HydrophobicContact CG2-CD1 3.7Å; I104-L154 HydrophobicContact CG2-CD2 4.19Å; I104-L194 HydrophobicContact CG2-CD2 3.93Å; I104-V196 HydrophobicContact CD1-CG1 4.06Å; I104-V196 HydrophobicContact CD1-CG2 3.97Å; I104-V196 HydrophobicContact CG1-CG1 4.24Å; I104-V196 HydrophobicContact CG1-CG2 3.77Å
105R98.4Very high97.9Very high77 Ų7745.5 Ų45.529%0.29123%0.227SC..Hα-helixtrans-58.6-46.1177.5-73.6177.5-162.7122.22.2111E98 A101 E102 E107 L108 L109 R153 L154E98-R105 IonicContact OE1-NH1 2.92Å; E98-R105 PolarHBondContact OE1-NH1 3.2Å; E98-R105 VanDerWaalsContact OE1-NH1 3.11Å; A101-R105 WeakPolarHBondContact O-CB 3.31Å; A101-R105 VanDerWaalsContact O-CG 3.27Å; A101-R105 WeakPolarHBondContact O-CG 3.31Å; A101-R105 PolarHBondContact O-N 2.9Å; E102-R105 PolarHBondContact O-N 2.82Å; R105-E107 VanDerWaalsContact C-N 3.3Å; R105-E107 PolarHBondContact O-N 3.35Å; R105-L108 PolarHBondContact O-N 2.8Å; R105-L109 WeakPolarHBondContact O-CG 3.38Å; R105-L109 PolarHBondContact O-N 3.26Å; R105-L109 VanDerWaalsContact O-N 3.09Å; R105-R153 VanDerWaalsContact NH2-NH1 3.14Å; R105-R153 PolarHBondContact NH2-O 2.98Å; R105-L154 HydrophobicContact CG-CD2 3.72Å
106N97.9Very high97.9Very high91 Ų9146.9 Ų46.949%0.48723%0.23SC..Hα-helixtrans-61.6-38.9179.4-69.1-16.5000112E102 H103 I104E102-N106 WeakPolarHBondContact O-CB 3.4Å; E102-N106 PolarHBondContact O-N 3.01Å; E102-N106 PolarHBondContact O-ND2 3.03Å; H103-N106 PolarHBondContact O-N 3.16Å; I104-N106 VanDerWaalsContact C-N 3.32Å; I104-N106 PolarHBondContact O-N 2.9Å
107E98Very high97.7Very high13 Ų1355.1 Ų55.16%0.06127%0.269CS..Hα-helixtrans-75.6-35.8178.4-15660.2-146.800112.4H103 I104 R105 L109 K110 F111 L194 R229H103-E107 WeakPolarHBondContact O-CB 3.46Å; H103-E107 PolarHBondContact O-N 3.41Å; I104-E107 PolarHBondContact O-N 3.39Å; R105-E107 VanDerWaalsContact C-N 3.3Å; R105-E107 PolarHBondContact O-N 3.35Å; E107-L109 VanDerWaalsContact C-N 3.26Å; E107-L109 PolarHBondContact O-N 2.84Å; E107-K110 WeakPolarHBondContact O-CB 3.34Å; E107-K110 PolarHBondContact O-N 3.49Å; E107-K110 WeakPolarHBondContact OE1-CD 3.48Å; E107-K110 IonicContact OE1-NZ 3.75Å; E107-K110 WeakPolarHBondContact OE2-CD 3.44Å; E107-K110 WeakPolarHBondContact OE2-CE 3.13Å; E107-K110 IonicContact OE2-NZ 2.77Å; E107-K110 PolarHBondContact OE2-NZ 3.48Å; E107-F111 WeakPolarHBondContact O-CD2 3.27Å; E107-L194 HydrophobicContact CB-CD1 3.84Å; E107-L194 HydrophobicContact CB-CD2 4.35Å; E107-L194 HydrophobicContact CG-CD1 3.48Å; E107-L194 VanDerWaalsContact CG-CD1 3.48Å; E107-R229 HydrophobicContact CG-CB 3.98Å; E107-R229 IonicContact OE1-CZ 2.77Å; E107-R229 IonicContact OE1-NE 3.79Å; E107-R229 PolarHBondContact OE1-NE 3.46Å; E107-R229 IonicContact OE1-NH2 3.99Å; E107-R229 PolarHBondContact OE1-NH2 2.92Å
108L98.3Very high97.6Very high9 Ų957.2 Ų57.25%0.04728%0.279CS..Hα-helixtrans-60.6-34.9173-74.9172.2000112.3I104 R105 K110 F111 R116 V119 L194I104-L108 HydrophobicContact CG2-CD1 3.84Å; I104-L108 HydrophobicContact CG2-CG 4.26Å; I104-L108 WeakPolarHBondContact O-CB 3.13Å; I104-L108 VanDerWaalsContact O-CG 3.31Å; I104-L108 WeakPolarHBondContact O-CG 3.36Å; I104-L108 PolarHBondContact O-N 3.45Å; R105-L108 PolarHBondContact O-N 2.8Å; L108-K110 PolarHBondContact O-N 2.98Å; L108-F111 PolarHBondContact O-N 3.45Å; L108-R116 HydrophobicContact CB-CG 4.41Å; L108-R116 PolarHBondContact O-NE 2.94Å; L108-V119 HydrophobicContact CD2-CB 3.87Å; L108-V119 HydrophobicContact CD2-CG1 3.7Å; L108-V119 HydrophobicContact CD2-CG2 4.18Å; L108-L194 HydrophobicContact CD2-CD2 3.92Å; L108-L194 HydrophobicContact CG-CD2 3.88Å
109L97.9Very high97.6Very high110 Ų11055.6 Ų55.658%0.57627%0.272SS*.THydrogen-bonded Turntrans-63.8-21.1175.1-70.5175.1000113.1R105 E107 R116R105-L109 WeakPolarHBondContact O-CG 3.38Å; R105-L109 PolarHBondContact O-N 3.26Å; R105-L109 VanDerWaalsContact O-N 3.09Å; E107-L109 VanDerWaalsContact C-N 3.26Å; E107-L109 PolarHBondContact O-N 2.84Å; L109-R116 PolarHBondContact O-NH2 3.27Å; L109-R116 VanDerWaalsContact O-NH2 3.09Å
110K97.7Very high97.6Very high111 Ų11156 Ų5648%0.48327%0.274SS..THydrogen-bonded Turntrans-86.7-6.8178.8-57.9173.6-167.3166.70113.7E107 L108E107-K110 WeakPolarHBondContact O-CB 3.34Å; E107-K110 PolarHBondContact O-N 3.49Å; E107-K110 WeakPolarHBondContact OE1-CD 3.48Å; E107-K110 IonicContact OE1-NZ 3.75Å; E107-K110 WeakPolarHBondContact OE2-CD 3.44Å; E107-K110 WeakPolarHBondContact OE2-CE 3.13Å; E107-K110 IonicContact OE2-NZ 2.77Å; E107-K110 PolarHBondContact OE2-NZ 3.48Å; L108-K110 PolarHBondContact O-N 2.98Å
111F97.5Very high97.6Very high6 Ų655.8 Ų55.83%0.02627%0.273CS..SBendtrans-78.9153.8167.3-75.1-98.6000110.6E107 L108 D113 R116 V119 N192 I193 L194 N227 R229E107-F111 WeakPolarHBondContact O-CD2 3.27Å; L108-F111 PolarHBondContact O-N 3.45Å; F111-D113 PolarHBondContact O-N 3.39Å; F111-R116 PolarHBondContact O-NH2 3.31Å; F111-V119 HydrophobicContact CB-CG2 4.14Å; F111-V119 HydrophobicContact CD1-CG2 3.61Å; F111-V119 HydrophobicContact CD2-CG2 4.04Å; F111-V119 HydrophobicContact CE1-CG1 4.32Å; F111-V119 HydrophobicContact CE1-CG2 3.92Å; F111-V119 HydrophobicContact CE2-CG1 4.16Å; F111-V119 HydrophobicContact CE2-CG2 4.31Å; F111-V119 HydrophobicContact CG-CG2 3.67Å; F111-V119 HydrophobicContact CZ-CG1 4Å; F111-V119 HydrophobicContact CZ-CG2 4.26Å; F111-N192 HydrophobicContact CD1-CB 4.44Å; F111-N192 HydrophobicContact CE1-CB 4.29Å; F111-I193 WeakPolarHBondContact CZ-O 3.15Å; F111-L194 HydrophobicContact CE2-CB 4.2Å; F111-L194 HydrophobicContact CE2-CD1 4.47Å; F111-L194 HydrophobicContact CZ-CB 4.27Å; F111-N227 HydrophobicContact CD1-CB 3.65Å; F111-N227 HydrophobicContact CE1-CB 3.48Å; F111-N227 VanDerWaalsContact CE1-CB 3.48Å; F111-R229 HydrophobicContact CD2-CG 4.36Å; F111-R229 HydrophobicContact CE1-CG 4.06Å; F111-R229 HydrophobicContact CE2-CB 3.8Å; F111-R229 HydrophobicContact CE2-CG 3.65Å; F111-R229 HydrophobicContact CZ-CB 3.74Å; F111-R229 HydrophobicContact CZ-CG 3.47Å; F111-R229 VanDerWaalsContact CZ-CG 3.47Å
112P97.4Very high97.6Very high54 Ų5455.8 Ų55.835%0.35127%0.273SS..  trans-52.8138.6171.4-2433.8000111.6D114 K115 R116 N227P112-D114 VanDerWaalsContact CB-OD1 3.29Å; P112-D114 WeakPolarHBondContact CB-OD1 3.13Å; P112-D114 PolarHBondContact O-N 2.86Å; P112-K115 HydrophobicContact CB-CB 4.18Å; P112-K115 HydrophobicContact CB-CG 3.97Å; P112-K115 HydrophobicContact CG-CB 4.5Å; P112-K115 HydrophobicContact CG-CG 4.27Å; P112-K115 PolarHBondContact O-N 3.36Å; P112-R116 PolarHBondContact O-N 3.37Å; P112-N227 WeakPolarHBondContact CD-OD1 3.33Å
113D96.2Very high97.6Very high124 Ų12452.4 Ų52.466%0.66326%0.257SS*.THydrogen-bonded Turntrans-57-38.5-175-75.8-28.9000112.3F111 K115 R116F111-D113 PolarHBondContact O-N 3.39Å; D113-K115 VanDerWaalsContact C-N 3.26Å; D113-K115 PolarHBondContact O-N 2.88Å; D113-R116 IonicContact OD1-CZ 3.11Å; D113-R116 IonicContact OD1-NH1 2.82Å; D113-R116 PolarHBondContact OD1-NH1 3.22Å; D113-R116 IonicContact OD1-NH2 2.67Å; D113-R116 PolarHBondContact OD1-NH2 2.79Å
114D96.3Very high97.5Very high129 Ų12951.6 Ų51.669%0.6925%0.254SS*.THydrogen-bonded Turntrans-73.9-13178.966.9-53000114P112P112-D114 VanDerWaalsContact CB-OD1 3.29Å; P112-D114 WeakPolarHBondContact CB-OD1 3.13Å; P112-D114 PolarHBondContact O-N 2.86Å
115K96.1Very high97.5Very high58 Ų5851.7 Ų51.725%0.25225%0.254SS..THydrogen-bonded Turntrans-107.3-17.5179.6-58.6-65.1-178.3143.20113.2P112 D113 E117 D118 V119 E226P112-K115 HydrophobicContact CB-CB 4.18Å; P112-K115 HydrophobicContact CB-CG 3.97Å; P112-K115 HydrophobicContact CG-CB 4.5Å; P112-K115 HydrophobicContact CG-CG 4.27Å; P112-K115 PolarHBondContact O-N 3.36Å; D113-K115 VanDerWaalsContact C-N 3.26Å; D113-K115 PolarHBondContact O-N 2.88Å; K115-E117 VanDerWaalsContact C-N 3.28Å; K115-E117 PolarHBondContact O-N 3.38Å; K115-D118 PolarHBondContact O-N 3.36Å; K115-V119 PolarHBondContact O-N 3.02Å; K115-E226 IonicContact NZ-OE1 2.7Å; K115-E226 IonicContact NZ-OE2 2.67Å; K115-E226 PolarHBondContact NZ-OE2 3.11Å
116R97.1Very high97.3Very high64 Ų6449.4 Ų49.424%0.24225%0.247CC..G310 helixtrans-55.6-38.5-171.3-173.2179.4-66.9131.54.9113.5L108 L109 F111 P112 D113 D118 V119 N158L108-R116 HydrophobicContact CB-CG 4.41Å; L108-R116 PolarHBondContact O-NE 2.94Å; L109-R116 PolarHBondContact O-NH2 3.27Å; L109-R116 VanDerWaalsContact O-NH2 3.09Å; F111-R116 PolarHBondContact O-NH2 3.31Å; P112-R116 PolarHBondContact O-N 3.37Å; D113-R116 IonicContact OD1-CZ 3.11Å; D113-R116 IonicContact OD1-NH1 2.82Å; D113-R116 PolarHBondContact OD1-NH1 3.22Å; D113-R116 IonicContact OD1-NH2 2.67Å; D113-R116 PolarHBondContact OD1-NH2 2.79Å; R116-D118 VanDerWaalsContact C-N 3.33Å; R116-V119 WeakPolarHBondContact O-CG2 3.4Å; R116-V119 PolarHBondContact O-N 3.03Å; R116-N158 PolarHBondContact O-ND2 2.91Å
117E95.6Very high97.2Very high174 Ų17445.4 Ų45.481%0.81323%0.226SC*.G310 helixtrans-72.5-24.1178.5-64.2-172.8172.700113.2K115K115-E117 VanDerWaalsContact C-N 3.28Å; K115-E117 PolarHBondContact O-N 3.38Å
118D95.9Very high97.1Very high55 Ų5545.4 Ų45.429%0.29423%0.226SC..G310 helixtrans-86.9-9.4178.3-174.457000113.2K115 R116 V120 K190 N192K115-D118 PolarHBondContact O-N 3.36Å; R116-D118 VanDerWaalsContact C-N 3.33Å; D118-V120 PolarHBondContact O-N 3.46Å; D118-K190 IonicContact OD1-NZ 3.22Å; D118-K190 PolarHBondContact OD1-NZ 3.08Å; D118-N192 PolarHBondContact OD2-ND2 3.02Å
119V98.5Very high97.1Very high0 Ų046.8 Ų46.80%024%0.236CC..PPolyproline II helixtrans-57.6127.9179179.80000110.4L108 F111 K115 R116 N158 N192 L194L108-V119 HydrophobicContact CD2-CB 3.87Å; L108-V119 HydrophobicContact CD2-CG1 3.7Å; L108-V119 HydrophobicContact CD2-CG2 4.18Å; F111-V119 HydrophobicContact CB-CG2 4.14Å; F111-V119 HydrophobicContact CD1-CG2 3.61Å; F111-V119 HydrophobicContact CD2-CG2 4.04Å; F111-V119 HydrophobicContact CE1-CG1 4.32Å; F111-V119 HydrophobicContact CE1-CG2 3.92Å; F111-V119 HydrophobicContact CE2-CG1 4.16Å; F111-V119 HydrophobicContact CE2-CG2 4.31Å; F111-V119 HydrophobicContact CG-CG2 3.67Å; F111-V119 HydrophobicContact CZ-CG1 4Å; F111-V119 HydrophobicContact CZ-CG2 4.26Å; K115-V119 PolarHBondContact O-N 3.02Å; R116-V119 WeakPolarHBondContact O-CG2 3.4Å; R116-V119 PolarHBondContact O-N 3.03Å; V119-N158 PolarHBondContact O-ND2 2.89Å; V119-N192 WeakPolarHBondContact CA-O 3.36Å; V119-N192 HydrophobicContact CG2-CB 4.02Å; V119-L194 HydrophobicContact CG1-CB 3.75Å
120V98.6Very high97.1Very high8 Ų844.1 Ų44.15%0.04822%0.221CC..EExtended strand (participates in β ladder)trans-94.5123.1171.4-176.90000109.3D118 L122 P159 L185 K190 N192 I193 L194D118-V120 PolarHBondContact O-N 3.46Å; V120-L122 HydrophobicContact CG1-CD2 4.07Å; V120-P159 HydrophobicContact CG2-CG 4.29Å; V120-L185 HydrophobicContact CG1-CD1 3.98Å; V120-K190 HydrophobicContact CG2-CB 4.12Å; V120-K190 HydrophobicContact CG2-CD 4.07Å; V120-K190 HydrophobicContact CG2-CG 4.04Å; V120-N192 PolarHBondContact N-O 3.03Å; V120-I193 WeakPolarHBondContact O-CA 3.36Å; V120-L194 PolarHBondContact O-N 3.42Å
121I98.8Very high97Very high0 Ų042.6 Ų42.60%023%0.229CC..EExtended strand (participates in β ladder)trans-85.9117.7176.3-55176.5000109.3I104 F123 M151 L154 N158 P159 Y160 R161 L194 V196I104-I121 HydrophobicContact CG2-CD1 3.94Å; I121-F123 HydrophobicContact CB-CE2 4.39Å; I121-F123 HydrophobicContact CG2-CD2 4.01Å; I121-F123 HydrophobicContact CG2-CE1 4.38Å; I121-F123 HydrophobicContact CG2-CE2 3.59Å; I121-F123 HydrophobicContact CG2-CZ 3.81Å; I121-M151 HydrophobicContact CD1-CE 4.39Å; I121-M151 HydrophobicContact CD1-SD 4.2Å; I121-L154 HydrophobicContact CD1-CD1 4.44Å; I121-N158 HydrophobicContact CD1-CB 3.75Å; I121-N158 HydrophobicContact CG1-CB 3.97Å; I121-P159 PolarHBondContact N-O 3.29Å; I121-Y160 CarbonylContact O-C 3.41Å; I121-Y160 WeakPolarHBondContact O-CA 3.33Å; I121-Y160 WeakPolarHBondContact O-CB 3.45Å; I121-R161 PolarHBondContact O-N 3.13Å; I121-L194 CarbonylContact C-O 3.51Å; I121-L194 HydrophobicContact CG1-CD2 4.46Å; I121-V196 HydrophobicContact CG2-CG2 3.66Å
122L98.4Very high97Very high0 Ų043.3 Ų43.30%023%0.234CC..EExtended strand (participates in β ladder)trans-105.7103.6173.3-63.8-173.5000109.6V120 S124 R161 V163 V181 I182 L185 I193 L194 L195 V196V120-L122 HydrophobicContact CG1-CD2 4.07Å; L122-S124 PolarHBondContact O-N 3.38Å; L122-R161 HydrophobicContact CD2-CB 3.86Å; L122-V163 HydrophobicContact CB-CG2 4.25Å; L122-V163 HydrophobicContact CD2-CG1 4.26Å; L122-V181 HydrophobicContact CD1-CG1 4.14Å; L122-V181 HydrophobicContact CD2-CG1 4.03Å; L122-I182 HydrophobicContact CD1-CG1 3.84Å; L122-L185 HydrophobicContact CD1-CD1 4.24Å; L122-L185 HydrophobicContact CD2-CD1 3.94Å; L122-L185 HydrophobicContact CG-CD1 4.48Å; L122-I193 HydrophobicContact CB-CG2 4.5Å; L122-I193 HydrophobicContact CD1-CG2 3.64Å; L122-I193 HydrophobicContact CG-CG2 3.93Å; L122-L194 PolarHBondContact N-O 2.89Å; L122-L195 HydrophobicContact CB-CD2 3.99Å; L122-L195 HydrophobicContact CD1-CD2 4.13Å; L122-L195 CarbonylContact O-C 3.48Å; L122-L195 WeakPolarHBondContact O-CA 3.45Å; L122-V196 PolarHBondContact O-N 3.38Å
123F98.6Very high97Very high0 Ų042.1 Ų42.10%023%0.225CC..EExtended strand (participates in β ladder)trans-74.1111.3168.8-64.4-86000108.5I104 I121 V147 V150 M151 Y160 R161 L162 V163 V196 I198I104-F123 HydrophobicContact CD1-CE1 3.78Å; I104-F123 HydrophobicContact CD1-CZ 4.03Å; I121-F123 HydrophobicContact CB-CE2 4.39Å; I121-F123 HydrophobicContact CG2-CD2 4.01Å; I121-F123 HydrophobicContact CG2-CE1 4.38Å; I121-F123 HydrophobicContact CG2-CE2 3.59Å; I121-F123 HydrophobicContact CG2-CZ 3.81Å; F123-V147 HydrophobicContact CB-CG2 3.71Å; F123-V147 HydrophobicContact CD1-CG2 4.06Å; F123-V147 HydrophobicContact CD2-CB 4.49Å; F123-V147 HydrophobicContact CD2-CG1 3.59Å; F123-V147 HydrophobicContact CD2-CG2 4.21Å; F123-V147 HydrophobicContact CE2-CG1 3.81Å; F123-V147 HydrophobicContact CG-CB 4.44Å; F123-V147 HydrophobicContact CG-CG1 3.99Å; F123-V147 HydrophobicContact CG-CG2 3.74Å; F123-V147 HydrophobicContact CZ-CG1 4.39Å; F123-V150 HydrophobicContact CE1-CB 4.36Å; F123-V150 HydrophobicContact CE1-CG1 3.91Å; F123-V150 HydrophobicContact CZ-CB 4.46Å; F123-V150 HydrophobicContact CZ-CG1 3.98Å; F123-M151 HydrophobicContact CE2-CG 3.76Å; F123-M151 HydrophobicContact CE2-SD 3.51Å; F123-M151 VanDerWaalsContact CE2-SD 3.51Å; F123-M151 HydrophobicContact CZ-CG 3.92Å; F123-M151 HydrophobicContact CZ-SD 3.56Å; F123-M151 VanDerWaalsContact CZ-SD 3.56Å; F123-Y160 AromaticContact CD2-CD2 3.93Å; F123-Y160 HydrophobicContact CD2-CD2 3.93Å; F123-Y160 HydrophobicContact CD2-CG 4.43Å; F123-Y160 AromaticContact CE2-CD2 3.83Å; F123-Y160 HydrophobicContact CE2-CD2 3.83Å; F123-Y160 HydrophobicContact CE2-CG 4.03Å; F123-R161 PolarHBondContact N-O 3.1Å; F123-L162 HydrophobicContact CB-CD1 4.29Å; F123-L162 WeakPolarHBondContact O-CD1 3.37Å; F123-V163 WeakPolarHBondContact O-CG2 3.1Å; F123-V163 PolarHBondContact O-N 2.92Å; F123-V196 HydrophobicContact CD1-CB 3.77Å; F123-V196 HydrophobicContact CD1-CG1 3.73Å; F123-V196 HydrophobicContact CD1-CG2 4.34Å; F123-V196 HydrophobicContact CE1-CB 4.17Å; F123-V196 HydrophobicContact CE1-CG1 3.91Å; F123-V196 HydrophobicContact CE1-CG2 4.35Å; F123-V196 HydrophobicContact CG-CB 4.44Å; F123-I198 HydrophobicContact CB-CB 4.22Å; F123-I198 HydrophobicContact CB-CG2 4.14Å; F123-I198 HydrophobicContact CD1-CB 3.97Å; F123-I198 HydrophobicContact CD1-CD1 3.72Å; F123-I198 HydrophobicContact CD1-CG1 3.77Å; F123-I198 HydrophobicContact CE1-CD1 3.97Å; F123-I198 HydrophobicContact CE1-CG1 4.47Å
124S96.6Very high97.1Very high1 Ų141.4 Ų41.41%0.00722%0.222CC..EExtended strand (participates in β ladder)trans-101.7125.7179.6-170.70000110.4L122 Q165 T178 V196 I198L122-S124 PolarHBondContact O-N 3.38Å; S124-Q165 WeakPolarHBondContact OG-CB 3.39Å; S124-Q165 VanDerWaalsContact OG-CD 3.27Å; S124-Q165 WeakPolarHBondContact OG-CG 3.48Å; S124-Q165 PolarHBondContact OG-OE1 2.97Å; S124-T178 PolarHBondContact OG-OG1 3.16Å; S124-V196 PolarHBondContact N-O 3.44Å; S124-I198 PolarHBondContact O-N 3.22Å; S124-I198 VanDerWaalsContact O-N 3.16Å
125A96.8Very high97.2Very high1 Ų138.8 Ų38.81%0.00820%0.202CC..EExtended strand (participates in β ladder)trans-126.7150.3175.800000110.1S127 V143 L162 V163 W164 Q165 I198 A199A125-S127 PolarHBondContact O-N 3.16Å; A125-V143 HydrophobicContact CB-CG1 3.85Å; A125-V143 HydrophobicContact CB-CG2 4.45Å; A125-L162 HydrophobicContact CB-CD1 4.32Å; A125-V163 PolarHBondContact N-O 2.77Å; A125-V163 VanDerWaalsContact N-O 3.14Å; A125-W164 HydrophobicContact CB-CE3 3.83Å; A125-W164 HydrophobicContact CB-CZ3 3.75Å; A125-W164 CarbonylContact O-C 3.49Å; A125-W164 WeakPolarHBondContact O-CA 3.22Å; A125-Q165 PolarHBondContact O-N 2.76Å; A125-I198 HydrophobicContact CB-CG2 3.95Å; A125-A199 HydrophobicContact CB-CB 3.84Å
126H95.4Very high97.3Very high30 Ų3037.5 Ų37.514%0.13921%0.206CC..EExtended strand (participates in β ladder)trans-62131.3176.7-81.677.5000110.7Y139 Q165 S166 F200 H204H126-Y139 VanDerWaalsContact O-CE1 3.31Å; H126-Y139 WeakPolarHBondContact O-CE1 3.41Å; H126-Y139 PolarHBondContact O-OH 3.37Å; H126-Q165 PolarHBondContact CE1-NE2 2.89Å; H126-Q165 PolarHBondContact ND1-NE2 3.24Å; H126-S166 PolarHBondContact CD2-OG 2.87Å; H126-S166 PolarHBondContact NE2-OG 2.59Å; H126-F200 HydrophobicContact CB-CE2 4.07Å; H126-F200 AromaticContact CE1-CE2 3.7Å; H126-F200 AromaticContact CG-CE2 3.68Å; H126-F200 AromaticContact ND1-CD2 3.48Å; H126-F200 WeakPolarHBondContact ND1-CD2 3.07Å; H126-F200 AromaticContact ND1-CE2 3.02Å; H126-F200 WeakPolarHBondContact ND1-CE2 3.25Å; H126-F200 AromaticContact ND1-CZ 3.76Å; H126-H204 AromaticContact CE1-NE2 3.37Å; H126-H204 PolarHBondContact CE1-NE2 3.3Å
127S96.1Very high97.3Very high7 Ų735 Ų355%0.04920%0.197CC..  trans-69.4163.7-179.1-168.10000111.9A125 Q165 W173 L174A125-S127 PolarHBondContact O-N 3.16Å; S127-Q165 VanDerWaalsContact CB-O 3.3Å; S127-Q165 WeakPolarHBondContact CB-O 3.42Å; S127-Q165 PolarHBondContact N-O 2.82Å; S127-W173 WeakPolarHBondContact O-CZ3 3.5Å; S127-L174 PolarHBondContact OG-N 3.45Å; S127-L174 PolarHBondContact OG-O 3.11Å
128L96.4Very high97.5Very high12 Ų1228 Ų286%0.06317%0.166CC..  trans-122143.3170.9-67.9178.9000109.9M130 V132 V133 D137 Y139 W173 L174L128-M130 PolarHBondContact O-N 3.21Å; L128-V132 HydrophobicContact CD1-CG1 4.16Å; L128-V132 HydrophobicContact CD2-CG1 4.47Å; L128-V133 HydrophobicContact CB-CG2 3.85Å; L128-D137 HydrophobicContact CD1-CB 4.43Å; L128-Y139 HydrophobicContact CD1-CD1 3.51Å; L128-Y139 HydrophobicContact CD1-CE1 4.41Å; L128-Y139 HydrophobicContact CD1-CG 4.02Å; L128-Y139 HydrophobicContact CG-CD1 3.92Å; L128-Y139 HydrophobicContact CG-CE1 4.36Å; L128-W173 VanDerWaalsContact C-CE3 3.44Å; L128-W173 WeakPolarHBondContact O-CA 3.23Å; L128-L174 PolarHBondContact O-N 2.94Å
129P96.8Very high97.6Very high39 Ų3926 Ų2625%0.25316%0.155SC..BIsolated β-bridgetrans-55.3139168.8-23.833.4000110.3A131 V132 V133 W173P129-A131 PolarHBondContact O-N 2.97Å; P129-A131 VanDerWaalsContact O-N 3.07Å; P129-V132 HydrophobicContact CB-CG2 4.36Å; P129-V132 HydrophobicContact CG-CG2 4.41Å; P129-V132 WeakPolarHBondContact O-CA 3.42Å; P129-V132 WeakPolarHBondContact O-CB 3.31Å; P129-V132 PolarHBondContact O-N 2.84Å; P129-V133 PolarHBondContact O-N 3.2Å; P129-V133 VanDerWaalsContact O-N 3.16Å; P129-W173 HydrophobicContact CG-CD2 4.14Å; P129-W173 HydrophobicContact CG-CE3 4.19Å; P129-W173 HydrophobicContact CG-CH2 4.02Å; P129-W173 HydrophobicContact CG-CZ2 3.93Å; P129-W173 HydrophobicContact CG-CZ3 4.15Å
130M97.6Very high97.6Very high54 Ų5427.4 Ų27.427%0.26616%0.164SC..Hα-helixtrans-60-26.6-177.9-74.4-56.4-60.400112.7L128 V132 V133 N134 P172 L174L128-M130 PolarHBondContact O-N 3.21Å; M130-V132 VanDerWaalsContact C-N 3.28Å; M130-V132 PolarHBondContact O-N 2.95Å; M130-V133 HydrophobicContact CE-CB 4.4Å; M130-V133 HydrophobicContact CE-CG1 4.36Å; M130-V133 PolarHBondContact O-N 3.12Å; M130-V133 HydrophobicContact SD-CB 4.4Å; M130-V133 HydrophobicContact SD-CG2 4.38Å; M130-N134 WeakPolarHBondContact O-CB 3.49Å; M130-N134 PolarHBondContact O-N 3.47Å; M130-N134 PolarHBondContact O-ND2 3.16Å; M130-P172 HydrophobicContact CB-CB 4.25Å; M130-P172 HydrophobicContact CG-CB 4.04Å; M130-P172 PolarHBondContact N-O 3.49Å; M130-L174 HydrophobicContact SD-CB 4.2Å; M130-L174 HydrophobicContact SD-CD1 4.15Å
131A96.4Very high97.6Very high78 Ų7833.2 Ų33.265%0.64519%0.191SC*.Hα-helixtrans-62.1-34.817200000112.9P129 R135P129-A131 PolarHBondContact O-N 2.97Å; P129-A131 VanDerWaalsContact O-N 3.07Å; A131-R135 PolarHBondContact O-N 3.46Å
132V96.9Very high97.6Very high22 Ų2233.7 Ų33.713%0.13319%0.193CC..Hα-helixtrans-73.9-42.7175.1174.60000110.6L128 P129 M130 R135 D137L128-V132 HydrophobicContact CD1-CG1 4.16Å; L128-V132 HydrophobicContact CD2-CG1 4.47Å; P129-V132 HydrophobicContact CB-CG2 4.36Å; P129-V132 HydrophobicContact CG-CG2 4.41Å; P129-V132 WeakPolarHBondContact O-CA 3.42Å; P129-V132 WeakPolarHBondContact O-CB 3.31Å; P129-V132 PolarHBondContact O-N 2.84Å; M130-V132 VanDerWaalsContact C-N 3.28Å; M130-V132 PolarHBondContact O-N 2.95Å; V132-R135 WeakPolarHBondContact O-CG 3.18Å; V132-D137 HydrophobicContact CG1-CB 3.8Å; V132-D137 VanDerWaalsContact O-CB 3.3Å; V132-D137 WeakPolarHBondContact O-CB 3.2Å; V132-D137 PolarHBondContact O-N 2.77Å
133V97.9Very high97.7Very high28 Ų2833.7 Ų33.717%0.1719%0.193CC..Hα-helixtrans-61.1-51.3175.6178.90000110.6L128 P129 M130 R135 G136 P140 L174L128-V133 HydrophobicContact CB-CG2 3.85Å; P129-V133 PolarHBondContact O-N 3.2Å; P129-V133 VanDerWaalsContact O-N 3.16Å; M130-V133 HydrophobicContact CE-CB 4.4Å; M130-V133 HydrophobicContact CE-CG1 4.36Å; M130-V133 PolarHBondContact O-N 3.12Å; M130-V133 HydrophobicContact SD-CB 4.4Å; M130-V133 HydrophobicContact SD-CG2 4.38Å; V133-R135 VanDerWaalsContact C-N 3.26Å; V133-R135 PolarHBondContact O-N 2.78Å; V133-G136 WeakPolarHBondContact O-CA 3.31Å; V133-G136 PolarHBondContact O-N 3.21Å; V133-P140 HydrophobicContact CG1-CG 4.42Å; V133-P140 HydrophobicContact CG2-CG 4.29Å; V133-L174 HydrophobicContact CG2-CB 4.15Å; V133-L174 HydrophobicContact CG2-CD2 4.19Å
134N98.2Very high97.7Very high109 Ų10935 Ų3558%0.58321%0.207SC*.Hα-helixtrans-68.2-20.9-174.1-68.3-16.6000113.6M130 G136M130-N134 WeakPolarHBondContact O-CB 3.49Å; M130-N134 PolarHBondContact O-N 3.47Å; M130-N134 PolarHBondContact O-ND2 3.16Å; N134-G136 PolarHBondContact O-N 2.83Å
135R97.8Very high97.8Very high74 Ų7435.8 Ų35.828%0.27921%0.213SC..THydrogen-bonded Turntrans-74.2-8.6170.265.8171-173.9-158.11.6113.5A131 V132 V133 D137 C266 L268A131-R135 PolarHBondContact O-N 3.46Å; V132-R135 WeakPolarHBondContact O-CG 3.18Å; V133-R135 VanDerWaalsContact C-N 3.26Å; V133-R135 PolarHBondContact O-N 2.78Å; R135-D137 IonicContact NH2-OD2 2.68Å; R135-C266 WeakPolarHBondContact O-CB 3.5Å; R135-L268 HydrophobicContact CB-CB 4Å; R135-L268 PolarHBondContact O-N 2.87Å; R135-L268 VanDerWaalsContact O-N 3.16Å
136G98.2Very high97.9Very high32 Ų3235.8 Ų35.833%0.3321%0.213SC..THydrogen-bonded Turntrans9444.7178.100000113.6V133 N134 C266V133-G136 WeakPolarHBondContact O-CA 3.31Å; V133-G136 PolarHBondContact O-N 3.21Å; N134-G136 PolarHBondContact O-N 2.83Å; G136-C266 PolarHBondContact O-SG 3.43Å
137D98.6Very high98Very high10 Ų1034.5 Ų34.55%0.05321%0.207CC..  trans-67.7130.9169.2-161.1-74.2000110.2S58 C59 L128 V132 R135 Y139 P140S58-D137 WeakPolarHBondContact CA-OD1 3.44Å; S58-D137 PolarHBondContact OG-OD1 3.14Å; S58-D137 PolarHBondContact OG-OD2 2.88Å; C59-D137 VanDerWaalsContact CB-OD2 3.25Å; C59-D137 WeakPolarHBondContact CB-OD2 3.19Å; C59-D137 PolarHBondContact N-OD2 2.85Å; L128-D137 HydrophobicContact CD1-CB 4.43Å; V132-D137 HydrophobicContact CG1-CB 3.8Å; V132-D137 VanDerWaalsContact O-CB 3.3Å; V132-D137 WeakPolarHBondContact O-CB 3.2Å; V132-D137 PolarHBondContact O-N 2.77Å; R135-D137 IonicContact NH2-OD2 2.68Å; D137-Y139 VanDerWaalsContact C-N 3.27Å; D137-Y139 PolarHBondContact O-N 3.21Å; D137-Y139 WeakPolarHBondContact OD1-CB 3.38Å; D137-Y139 PolarHBondContact OD1-N 3.22Å; D137-Y139 VanDerWaalsContact OD1-N 3.14Å; D137-P140 WeakPolarHBondContact O-CD 3.27Å
138P98.5Very high98.2Very high27 Ų2737.1 Ų37.118%0.17522%0.219CC..SBendtrans-76.7-13.6-173.931.5-35.6000113.4Y57 Q141 E142Y57-P138 HydrophobicContact CD1-CG 3.57Å; Y57-P138 HydrophobicContact CE1-CG 4.33Å; Y57-P138 HydrophobicContact CG-CG 4.37Å; P138-Q141 PolarHBondContact O-N 3.35Å; P138-Q141 VanDerWaalsContact O-N 3.12Å; P138-E142 PolarHBondContact O-N 2.99Å; P138-E142 VanDerWaalsContact O-N 3.13Å
139Y98.8Very high98.3Very high15 Ų1541 Ų416%0.05923%0.233CC..Hα-helixtrans-51.8-47.3-171.6176-104.1000114.8Q56 Y57 H126 L128 D137 Q141 E142 V143 W164 A199Q56-Y139 HydrophobicContact CB-CD2 3.79Å; Q56-Y139 HydrophobicContact CB-CE2 3.96Å; Y57-Y139 WeakPolarHBondContact O-CA 3.06Å; Y57-Y139 VanDerWaalsContact O-CB 3.31Å; Y57-Y139 WeakPolarHBondContact O-CB 3.4Å; Y57-Y139 PolarHBondContact O-N 2.7Å; H126-Y139 VanDerWaalsContact O-CE1 3.31Å; H126-Y139 WeakPolarHBondContact O-CE1 3.41Å; H126-Y139 PolarHBondContact O-OH 3.37Å; L128-Y139 HydrophobicContact CD1-CD1 3.51Å; L128-Y139 HydrophobicContact CD1-CE1 4.41Å; L128-Y139 HydrophobicContact CD1-CG 4.02Å; L128-Y139 HydrophobicContact CG-CD1 3.92Å; L128-Y139 HydrophobicContact CG-CE1 4.36Å; D137-Y139 VanDerWaalsContact C-N 3.27Å; D137-Y139 PolarHBondContact O-N 3.21Å; D137-Y139 WeakPolarHBondContact OD1-CB 3.38Å; D137-Y139 PolarHBondContact OD1-N 3.22Å; D137-Y139 VanDerWaalsContact OD1-N 3.14Å; Y139-Q141 VanDerWaalsContact C-N 3.27Å; Y139-Q141 PolarHBondContact O-N 3.22Å; Y139-E142 PolarHBondContact O-N 3.13Å; Y139-V143 HydrophobicContact CD1-CG2 4.25Å; Y139-V143 HydrophobicContact CD2-CG2 3.87Å; Y139-V143 HydrophobicContact CE1-CG2 3.91Å; Y139-V143 HydrophobicContact CE2-CG2 3.48Å; Y139-V143 VanDerWaalsContact CE2-CG2 3.48Å; Y139-V143 HydrophobicContact CG-CG2 4.25Å; Y139-V143 WeakPolarHBondContact O-CG2 3.36Å; Y139-V143 PolarHBondContact O-N 3.4Å; Y139-W164 HydrophobicContact CD1-CZ3 4.17Å; Y139-W164 HydrophobicContact CE1-CE3 4.32Å; Y139-W164 AromaticContact CE1-CZ3 3.64Å; Y139-W164 HydrophobicContact CE1-CZ3 3.64Å; Y139-A199 HydrophobicContact CE2-CB 4.2Å; Y139-A199 WeakPolarHBondContact OH-CB 3.3Å
140P98.7Very high98.4Very high28 Ų2839.2 Ų39.218%0.18222%0.221CC..Hα-helixtrans-61.8-36.2-177.9-25.337.4000113.4V133 D137 G144 W164 L174V133-P140 HydrophobicContact CG1-CG 4.42Å; V133-P140 HydrophobicContact CG2-CG 4.29Å; D137-P140 WeakPolarHBondContact O-CD 3.27Å; P140-G144 PolarHBondContact O-N 2.87Å; P140-G144 VanDerWaalsContact O-N 3.07Å; P140-W164 HydrophobicContact CB-CH2 4.04Å; P140-W164 HydrophobicContact CB-CZ2 4.33Å; P140-L174 HydrophobicContact CB-CD2 3.84Å; P140-L174 HydrophobicContact CG-CD2 3.63Å
141Q98.8Very high98.5Very high131 Ų13136.6 Ų36.661%0.61221%0.208SC*.Hα-helixtrans-70.8-41.8178.5-176.8-80.6-32.300111P138 Y139 G144 A145P138-Q141 PolarHBondContact O-N 3.35Å; P138-Q141 VanDerWaalsContact O-N 3.12Å; Y139-Q141 VanDerWaalsContact C-N 3.27Å; Y139-Q141 PolarHBondContact O-N 3.22Å; Q141-G144 PolarHBondContact O-N 3.48Å; Q141-A145 PolarHBondContact O-N 2.98Å
142E98.9Very high98.6Very high9 Ų936.8 Ų36.84%0.04220%0.196CC..Hα-helixtrans-68.2-38.7179.1-70.8-171.1-162.800112.3Q56 Y57 R89 P91 P138 Y139 A145 T146Q56-E142 WeakPolarHBondContact CA-OE2 3.34Å; Q56-E142 HydrophobicContact CB-CB 3.81Å; Q56-E142 HydrophobicContact CG-CB 4.04Å; Y57-E142 PolarHBondContact N-OE2 3.19Å; R89-E142 WeakPolarHBondContact CD-OE1 3.47Å; R89-E142 IonicContact CZ-OE1 3.11Å; R89-E142 IonicContact NE-OE1 2.65Å; R89-E142 IonicContact NH1-OE1 3.72Å; R89-E142 PolarHBondContact NH1-OE1 3.14Å; P91-E142 HydrophobicContact CB-CB 4.08Å; P91-E142 HydrophobicContact CG-CB 4.31Å; P91-E142 HydrophobicContact CG-CG 4.31Å; P138-E142 PolarHBondContact O-N 2.99Å; P138-E142 VanDerWaalsContact O-N 3.13Å; Y139-E142 PolarHBondContact O-N 3.13Å; E142-A145 WeakPolarHBondContact O-CB 3.29Å; E142-A145 PolarHBondContact O-N 2.88Å; E142-T146 PolarHBondContact O-N 3.41Å; E142-T146 PolarHBondContact O-OG1 2.67Å
143V98.9Very high98.7Very high0 Ų041.2 Ų41.20%021%0.21CC..Hα-helixtrans-62.5-45.4172.3174.60000110.6Q56 A125 Y139 A145 T146 V147 L162 W164 I198 A199Q56-V143 HydrophobicContact CB-CG2 3.95Å; Q56-V143 HydrophobicContact CG-CB 4.39Å; Q56-V143 HydrophobicContact CG-CG2 3.71Å; A125-V143 HydrophobicContact CB-CG1 3.85Å; A125-V143 HydrophobicContact CB-CG2 4.45Å; Y139-V143 HydrophobicContact CD1-CG2 4.25Å; Y139-V143 HydrophobicContact CD2-CG2 3.87Å; Y139-V143 HydrophobicContact CE1-CG2 3.91Å; Y139-V143 HydrophobicContact CE2-CG2 3.48Å; Y139-V143 VanDerWaalsContact CE2-CG2 3.48Å; Y139-V143 HydrophobicContact CG-CG2 4.25Å; Y139-V143 WeakPolarHBondContact O-CG2 3.36Å; Y139-V143 PolarHBondContact O-N 3.4Å; V143-A145 PolarHBondContact O-N 2.84Å; V143-T146 PolarHBondContact O-N 3.31Å; V143-V147 HydrophobicContact CG1-CG2 4.46Å; V143-V147 WeakPolarHBondContact O-CG2 3.42Å; V143-V147 PolarHBondContact O-N 2.88Å; V143-L162 HydrophobicContact CG1-CD1 3.57Å; V143-L162 HydrophobicContact CG1-CD2 3.86Å; V143-L162 HydrophobicContact CG1-CG 4.39Å; V143-W164 HydrophobicContact CB-CH2 4.12Å; V143-W164 HydrophobicContact CB-CZ3 4.4Å; V143-W164 HydrophobicContact CG1-CH2 4.12Å; V143-W164 HydrophobicContact CG1-CZ3 4.29Å; V143-W164 HydrophobicContact CG2-CZ3 4.4Å; V143-I198 HydrophobicContact CG1-CG2 3.85Å; V143-A199 HydrophobicContact CG2-CB 4.29Å
144G98.8Very high98.7Very high28 Ų2840.6 Ų40.629%0.28921%0.206SC..Hα-helixtrans-56.9-38.117400000112.7P140 Q141 Q148P140-G144 PolarHBondContact O-N 2.87Å; P140-G144 VanDerWaalsContact O-N 3.07Å; Q141-G144 PolarHBondContact O-N 3.48Å; G144-Q148 WeakPolarHBondContact O-CB 3.47Å; G144-Q148 PolarHBondContact O-N 3.31Å
145A98.9Very high98.7Very high18 Ų1838.2 Ų38.215%0.14921%0.207CC..Hα-helixtrans-66.4-43.4175.900000112.5T92 Q141 E142 V143 Q148 R149T92-A145 HydrophobicContact CG2-CB 3.97Å; Q141-A145 PolarHBondContact O-N 2.98Å; E142-A145 WeakPolarHBondContact O-CB 3.29Å; E142-A145 PolarHBondContact O-N 2.88Å; V143-A145 PolarHBondContact O-N 2.84Å; A145-Q148 PolarHBondContact O-N 2.97Å; A145-R149 WeakPolarHBondContact O-CG 3.31Å; A145-R149 PolarHBondContact O-N 3.37Å; A145-R149 VanDerWaalsContact O-N 3.08Å
146T98.9Very high98.7Very high0 Ų039.4 Ų39.40%022%0.215CC..Hα-helixtrans-59.1-50.5174.4-52.90000111.1Q56 P91 F100 E142 V143 Q148 R149 V150 I198Q56-T146 PolarHBondContact NE2-OG1 3.35Å; P91-T146 WeakPolarHBondContact O-CB 3.13Å; P91-T146 WeakPolarHBondContact O-CG2 3.23Å; P91-T146 PolarHBondContact O-OG1 2.95Å; F100-T146 HydrophobicContact CD2-CG2 4.41Å; F100-T146 HydrophobicContact CE2-CG2 4.25Å; E142-T146 PolarHBondContact O-N 3.41Å; E142-T146 PolarHBondContact O-OG1 2.67Å; V143-T146 PolarHBondContact O-N 3.31Å; T146-Q148 VanDerWaalsContact C-N 3.3Å; T146-Q148 PolarHBondContact O-N 3.49Å; T146-R149 PolarHBondContact O-N 2.69Å; T146-V150 HydrophobicContact CG2-CG2 4.46Å; T146-V150 WeakPolarHBondContact O-CG2 3.38Å; T146-V150 PolarHBondContact O-N 2.88Å; T146-I198 HydrophobicContact CG2-CD1 3.84Å; T146-I198 HydrophobicContact CG2-CG1 4Å
147V98.9Very high98.7Very high4 Ų441 Ų412%0.02422%0.221CC..Hα-helixtrans-55.3-47.2178.5170.70000111F123 V143 R149 V150 M151 Y160 L162 I198F123-V147 HydrophobicContact CB-CG2 3.71Å; F123-V147 HydrophobicContact CD1-CG2 4.06Å; F123-V147 HydrophobicContact CD2-CB 4.49Å; F123-V147 HydrophobicContact CD2-CG1 3.59Å; F123-V147 HydrophobicContact CD2-CG2 4.21Å; F123-V147 HydrophobicContact CE2-CG1 3.81Å; F123-V147 HydrophobicContact CG-CB 4.44Å; F123-V147 HydrophobicContact CG-CG1 3.99Å; F123-V147 HydrophobicContact CG-CG2 3.74Å; F123-V147 HydrophobicContact CZ-CG1 4.39Å; V143-V147 HydrophobicContact CG1-CG2 4.46Å; V143-V147 WeakPolarHBondContact O-CG2 3.42Å; V143-V147 PolarHBondContact O-N 2.88Å; V147-R149 PolarHBondContact O-N 3.37Å; V147-V150 PolarHBondContact O-N 3.23Å; V147-M151 WeakPolarHBondContact O-CG 3.27Å; V147-M151 PolarHBondContact O-N 2.95Å; V147-Y160 HydrophobicContact CG1-CD2 3.66Å; V147-Y160 HydrophobicContact CG1-CE2 3.43Å; V147-Y160 VanDerWaalsContact CG1-CE2 3.43Å; V147-L162 HydrophobicContact CG2-CB 4.45Å; V147-L162 HydrophobicContact CG2-CD1 4.13Å; V147-L162 HydrophobicContact CG2-CD2 4.44Å; V147-I198 HydrophobicContact CG2-CG1 3.88Å; V147-I198 HydrophobicContact CG2-CG2 4.34Å
148Q98.9Very high98.7Very high62 Ų6241.1 Ų41.129%0.2922%0.221SC..Hα-helixtrans-61.4-44.8-179.2-174.361.232.800111.9G144 A145 T146 V150 M151 E152 Y160G144-Q148 WeakPolarHBondContact O-CB 3.47Å; G144-Q148 PolarHBondContact O-N 3.31Å; A145-Q148 PolarHBondContact O-N 2.97Å; T146-Q148 VanDerWaalsContact C-N 3.3Å; T146-Q148 PolarHBondContact O-N 3.49Å; Q148-V150 PolarHBondContact O-N 3.22Å; Q148-M151 PolarHBondContact O-N 3.38Å; Q148-E152 WeakPolarHBondContact CG-OE1 3.23Å; Q148-E152 PolarHBondContact NE2-OE1 3.22Å; Q148-E152 WeakPolarHBondContact O-CG 3.28Å; Q148-E152 PolarHBondContact O-N 3.4Å; Q148-Y160 PolarHBondContact OE1-OH 2.99Å
149R98.9Very high98.7Very high94 Ų9443 Ų4336%0.35523%0.233SC..Hα-helixtrans-64.2-38.9177.6-68.8-63.188.877.9-2.6112.6T92 V97 A145 T146 V147 E152 R153T92-R149 HydrophobicContact CG2-CG 3.68Å; V97-R149 HydrophobicContact CG1-CB 4.14Å; V97-R149 WeakPolarHBondContact CG1-O 3.33Å; V97-R149 HydrophobicContact CG2-CB 3.64Å; V97-R149 HydrophobicContact CG2-CG 4.49Å; A145-R149 WeakPolarHBondContact O-CG 3.31Å; A145-R149 PolarHBondContact O-N 3.37Å; A145-R149 VanDerWaalsContact O-N 3.08Å; T146-R149 PolarHBondContact O-N 2.69Å; V147-R149 PolarHBondContact O-N 3.37Å; R149-E152 IonicContact CZ-OE1 3.98Å; R149-E152 IonicContact CZ-OE2 3.77Å; R149-E152 VanDerWaalsContact CZ-OE2 3.22Å; R149-E152 IonicContact NE-OE1 2.95Å; R149-E152 IonicContact NE-OE2 3.81Å; R149-E152 PolarHBondContact NE-OE2 3.14Å; R149-E152 IonicContact NH2-OE1 3.59Å; R149-E152 PolarHBondContact NH2-OE1 2.74Å; R149-E152 IonicContact NH2-OE2 3.55Å; R149-E152 PolarHBondContact NH2-OE2 2.82Å; R149-R153 WeakPolarHBondContact O-CB 3.4Å; R149-R153 PolarHBondContact O-N 3.17Å
150V98.9Very high98.7Very high0 Ų045 Ų450%024%0.241CC..Hα-helixtrans-64.2-46.1176.1173.20000110.8V97 F100 I104 F123 T146 V147 Q148 E152 R153 L154 I198V97-V150 HydrophobicContact CG1-CG2 4.23Å; F100-V150 HydrophobicContact CB-CG1 4.14Å; F100-V150 HydrophobicContact CB-CG2 3.7Å; F100-V150 HydrophobicContact CD2-CG2 4.19Å; F100-V150 HydrophobicContact CG-CG2 4.29Å; I104-V150 HydrophobicContact CD1-CG1 3.55Å; F123-V150 HydrophobicContact CE1-CB 4.36Å; F123-V150 HydrophobicContact CE1-CG1 3.91Å; F123-V150 HydrophobicContact CZ-CB 4.46Å; F123-V150 HydrophobicContact CZ-CG1 3.98Å; T146-V150 HydrophobicContact CG2-CG2 4.46Å; T146-V150 WeakPolarHBondContact O-CG2 3.38Å; T146-V150 PolarHBondContact O-N 2.88Å; V147-V150 PolarHBondContact O-N 3.23Å; Q148-V150 PolarHBondContact O-N 3.22Å; V150-E152 PolarHBondContact O-N 3.31Å; V150-R153 WeakPolarHBondContact O-CB 3.44Å; V150-R153 PolarHBondContact O-N 3.32Å; V150-R153 VanDerWaalsContact O-N 3.16Å; V150-L154 HydrophobicContact CG1-CD1 3.94Å; V150-L154 HydrophobicContact CG1-CG 4.48Å; V150-L154 WeakPolarHBondContact O-CG 3.14Å; V150-L154 PolarHBondContact O-N 3.48Å; V150-I198 HydrophobicContact CG2-CD1 4.28Å
151M98.8Very high98.8Very high0 Ų051.2 Ų51.20%026%0.261CS..Hα-helixtrans-66.4-36.3179.4-70.4-54.6-51.500113.3I121 F123 V147 Q148 L154 G155 H156 N158 Y160I121-M151 HydrophobicContact CD1-CE 4.39Å; I121-M151 HydrophobicContact CD1-SD 4.2Å; F123-M151 HydrophobicContact CE2-CG 3.76Å; F123-M151 HydrophobicContact CE2-SD 3.51Å; F123-M151 VanDerWaalsContact CE2-SD 3.51Å; F123-M151 HydrophobicContact CZ-CG 3.92Å; F123-M151 HydrophobicContact CZ-SD 3.56Å; F123-M151 VanDerWaalsContact CZ-SD 3.56Å; V147-M151 WeakPolarHBondContact O-CG 3.27Å; V147-M151 PolarHBondContact O-N 2.95Å; Q148-M151 PolarHBondContact O-N 3.38Å; M151-L154 PolarHBondContact O-N 2.98Å; M151-L154 HydrophobicContact SD-CD1 3.95Å; M151-G155 PolarHBondContact O-N 3.5Å; M151-H156 PolarHBondContact O-N 3.42Å; M151-N158 VanDerWaalsContact CE-O 3.26Å; M151-N158 WeakPolarHBondContact CE-O 3.11Å; M151-Y160 HydrophobicContact CB-CD1 4.38Å; M151-Y160 HydrophobicContact CB-CE1 4.09Å; M151-Y160 HydrophobicContact CE-CD1 3.68Å; M151-Y160 HydrophobicContact CE-CE1 4.32Å; M151-Y160 HydrophobicContact CE-CG 4.19Å; M151-Y160 HydrophobicContact CG-CD1 3.62Å; M151-Y160 HydrophobicContact CG-CD2 3.88Å; M151-Y160 HydrophobicContact CG-CE1 3.71Å; M151-Y160 HydrophobicContact CG-CE2 3.98Å; M151-Y160 HydrophobicContact CG-CG 3.7Å; M151-Y160 HydrophobicContact SD-CD1 3.94Å; M151-Y160 HydrophobicContact SD-CG 3.9Å
152E98.8Very high98.8Very high82 Ų8246.9 Ų46.938%0.38324%0.242SC..Hα-helixtrans-62.1-43.7170.8-76.3167-167.700111.4Q148 R149 V150 L154 G155Q148-E152 WeakPolarHBondContact CG-OE1 3.23Å; Q148-E152 PolarHBondContact NE2-OE1 3.22Å; Q148-E152 WeakPolarHBondContact O-CG 3.28Å; Q148-E152 PolarHBondContact O-N 3.4Å; R149-E152 IonicContact CZ-OE1 3.98Å; R149-E152 IonicContact CZ-OE2 3.77Å; R149-E152 VanDerWaalsContact CZ-OE2 3.22Å; R149-E152 IonicContact NE-OE1 2.95Å; R149-E152 IonicContact NE-OE2 3.81Å; R149-E152 PolarHBondContact NE-OE2 3.14Å; R149-E152 IonicContact NH2-OE1 3.59Å; R149-E152 PolarHBondContact NH2-OE1 2.74Å; R149-E152 IonicContact NH2-OE2 3.55Å; R149-E152 PolarHBondContact NH2-OE2 2.82Å; V150-E152 PolarHBondContact O-N 3.31Å; E152-L154 VanDerWaalsContact C-N 3.25Å; E152-L154 PolarHBondContact O-N 3.22Å; E152-G155 PolarHBondContact O-N 3.31Å
153R98.8Very high98.7Very high115 Ų11546.4 Ų46.443%0.43424%0.24SC..Hα-helixtrans-64.7-30.3177.4-178.357.6-175.6106.71.7113V97 E98 A101 R105 R149 V150 G155V97-R153 HydrophobicContact CG1-CB 3.77Å; V97-R153 HydrophobicContact CG1-CG 4.19Å; E98-R153 IonicContact OE1-CZ 3.54Å; E98-R153 IonicContact OE1-NE 3.59Å; E98-R153 IonicContact OE1-NH2 2.91Å; E98-R153 PolarHBondContact OE1-NH2 3.28Å; E98-R153 IonicContact OE2-CZ 3.13Å; E98-R153 IonicContact OE2-NE 2.66Å; E98-R153 PolarHBondContact OE2-NE 3.07Å; E98-R153 IonicContact OE2-NH2 2.76Å; E98-R153 PolarHBondContact OE2-NH2 2.83Å; A101-R153 HydrophobicContact CB-CB 4.27Å; A101-R153 HydrophobicContact CB-CG 3.66Å; R105-R153 VanDerWaalsContact NH2-NH1 3.14Å; R105-R153 PolarHBondContact NH2-O 2.98Å; R149-R153 WeakPolarHBondContact O-CB 3.4Å; R149-R153 PolarHBondContact O-N 3.17Å; V150-R153 WeakPolarHBondContact O-CB 3.44Å; V150-R153 PolarHBondContact O-N 3.32Å; V150-R153 VanDerWaalsContact O-N 3.16Å; R153-G155 VanDerWaalsContact C-N 3.27Å
154L98.6Very high98.6Very high15 Ų1547.1 Ų47.18%0.07924%0.242CC..THydrogen-bonded Turntrans-79.2-5.4173.5-69.4170.8000113.4A101 I104 R105 I121 V150 M151 E152 H156 C157A101-L154 HydrophobicContact CB-CD2 3.97Å; A101-L154 HydrophobicContact CB-CG 4.22Å; I104-L154 HydrophobicContact CB-CD1 4.23Å; I104-L154 HydrophobicContact CB-CD2 4.45Å; I104-L154 HydrophobicContact CD1-CD1 3.89Å; I104-L154 HydrophobicContact CG2-CD1 3.7Å; I104-L154 HydrophobicContact CG2-CD2 4.19Å; R105-L154 HydrophobicContact CG-CD2 3.72Å; I121-L154 HydrophobicContact CD1-CD1 4.44Å; V150-L154 HydrophobicContact CG1-CD1 3.94Å; V150-L154 HydrophobicContact CG1-CG 4.48Å; V150-L154 WeakPolarHBondContact O-CG 3.14Å; V150-L154 PolarHBondContact O-N 3.48Å; M151-L154 PolarHBondContact O-N 2.98Å; M151-L154 HydrophobicContact SD-CD1 3.95Å; E152-L154 VanDerWaalsContact C-N 3.25Å; E152-L154 PolarHBondContact O-N 3.22Å; L154-H156 PolarHBondContact O-N 2.9Å; L154-C157 PolarHBondContact O-N 3.07Å
155G98.6Very high98.3Very high59 Ų5945.9 Ų45.961%0.60823%0.229SC*.THydrogen-bonded Turntrans65.127-176.200000113.2M151 E152 R153 C157M151-G155 PolarHBondContact O-N 3.5Å; E152-G155 PolarHBondContact O-N 3.31Å; R153-G155 VanDerWaalsContact C-N 3.27Å; G155-C157 PolarHBondContact O-N 3.29Å
156H98.4Very high97.6Very high99 Ų9945.9 Ų45.946%0.45823%0.228SC..THydrogen-bonded Turntrans51.838.1-176.8-58.5-73.6000114.1M151 L154 N158M151-H156 PolarHBondContact O-N 3.42Å; L154-H156 PolarHBondContact O-N 2.9Å; H156-N158 PolarHBondContact O-N 2.91Å; H156-N158 VanDerWaalsContact O-N 3.13Å
157C98.2Very high97Very high66 Ų6651.4 Ų51.445%0.44625%0.249SC..  trans-60.3-23-176.363.60000114.9L154 G155L154-C157 PolarHBondContact O-N 3.07Å; G155-C157 PolarHBondContact O-N 3.29Å
158N98.8Very high96.2Very high12 Ų1256.5 Ų56.56%0.06428%0.279CS..SBendtrans-139.9154.8-179.4-71.886.1000111.2R116 V119 I121 M151 H156R116-N158 PolarHBondContact O-ND2 2.91Å; V119-N158 PolarHBondContact O-ND2 2.89Å; I121-N158 HydrophobicContact CD1-CB 3.75Å; I121-N158 HydrophobicContact CG1-CB 3.97Å; M151-N158 VanDerWaalsContact CE-O 3.26Å; M151-N158 WeakPolarHBondContact CE-O 3.11Å; H156-N158 PolarHBondContact O-N 2.91Å; H156-N158 VanDerWaalsContact O-N 3.13Å
159P98.6Very high95.7Very high65 Ų6555.9 Ų55.942%0.42229%0.29SS..  trans-67.4148170.229.9-35.3000111.1V120 I121V120-P159 HydrophobicContact CG2-CG 4.29Å; I121-P159 PolarHBondContact N-O 3.29Å
160Y98.9Very high95.3Very high57 Ų5757.8 Ų57.822%0.22432%0.315CS..EExtended strand (participates in β ladder)trans-141.2161.5-178.574.6-78000114.3I121 F123 V147 Q148 M151I121-Y160 CarbonylContact O-C 3.41Å; I121-Y160 WeakPolarHBondContact O-CA 3.33Å; I121-Y160 WeakPolarHBondContact O-CB 3.45Å; F123-Y160 AromaticContact CD2-CD2 3.93Å; F123-Y160 HydrophobicContact CD2-CD2 3.93Å; F123-Y160 HydrophobicContact CD2-CG 4.43Å; F123-Y160 AromaticContact CE2-CD2 3.83Å; F123-Y160 HydrophobicContact CE2-CD2 3.83Å; F123-Y160 HydrophobicContact CE2-CG 4.03Å; V147-Y160 HydrophobicContact CG1-CD2 3.66Å; V147-Y160 HydrophobicContact CG1-CE2 3.43Å; V147-Y160 VanDerWaalsContact CG1-CE2 3.43Å; Q148-Y160 PolarHBondContact OE1-OH 2.99Å; M151-Y160 HydrophobicContact CB-CD1 4.38Å; M151-Y160 HydrophobicContact CB-CE1 4.09Å; M151-Y160 HydrophobicContact CE-CD1 3.68Å; M151-Y160 HydrophobicContact CE-CE1 4.32Å; M151-Y160 HydrophobicContact CE-CG 4.19Å; M151-Y160 HydrophobicContact CG-CD1 3.62Å; M151-Y160 HydrophobicContact CG-CD2 3.88Å; M151-Y160 HydrophobicContact CG-CE1 3.71Å; M151-Y160 HydrophobicContact CG-CE2 3.98Å; M151-Y160 HydrophobicContact CG-CG 3.7Å; M151-Y160 HydrophobicContact SD-CD1 3.94Å; M151-Y160 HydrophobicContact SD-CG 3.9Å
161R98.8Very high94.9Very high159 Ų15964 Ų6460%0.635%0.345SS*.EExtended strand (participates in β ladder)trans-138.4147.9165.6-67.6-65.7-179.3-95.54.3110.4I121 L122 F123 V163I121-R161 PolarHBondContact O-N 3.13Å; L122-R161 HydrophobicContact CD2-CB 3.86Å; F123-R161 PolarHBondContact N-O 3.1Å; R161-V163 HydrophobicContact CB-CG1 4.16Å
162L98.8Very high94.8Very high40 Ų4068.1 Ų68.121%0.20937%0.372CS..EExtended strand (participates in β ladder)trans-92.1124.5162.617157.6000108F123 A125 V143 V147 W164 I198F123-L162 HydrophobicContact CB-CD1 4.29Å; F123-L162 WeakPolarHBondContact O-CD1 3.37Å; A125-L162 HydrophobicContact CB-CD1 4.32Å; V143-L162 HydrophobicContact CG1-CD1 3.57Å; V143-L162 HydrophobicContact CG1-CD2 3.86Å; V143-L162 HydrophobicContact CG1-CG 4.39Å; V147-L162 HydrophobicContact CG2-CB 4.45Å; V147-L162 HydrophobicContact CG2-CD1 4.13Å; V147-L162 HydrophobicContact CG2-CD2 4.44Å; L162-W164 HydrophobicContact CD1-CH2 4.38Å; L162-W164 HydrophobicContact CD1-CZ2 4.37Å; L162-W164 HydrophobicContact CD2-CH2 3.95Å; L162-W164 HydrophobicContact CD2-CZ2 3.72Å; L162-W164 HydrophobicContact CG-CH2 4.33Å; L162-W164 HydrophobicContact CG-CZ2 3.92Å; L162-I198 HydrophobicContact CD1-CG2 4.49Å
163V98.2Very high94.7Very high0 Ų066.9 Ų66.90%036%0.364CS..EExtended strand (participates in β ladder)trans-130.4164.1-178.1-58.90000109.8L122 F123 A125 R161 P176 T178 V181L122-V163 HydrophobicContact CB-CG2 4.25Å; L122-V163 HydrophobicContact CD2-CG1 4.26Å; F123-V163 WeakPolarHBondContact O-CG2 3.1Å; F123-V163 PolarHBondContact O-N 2.92Å; A125-V163 PolarHBondContact N-O 2.77Å; A125-V163 VanDerWaalsContact N-O 3.14Å; R161-V163 HydrophobicContact CB-CG1 4.16Å; V163-P176 HydrophobicContact CG1-CG 4.26Å; V163-T178 HydrophobicContact CG2-CG2 4.05Å; V163-T178 WeakPolarHBondContact CG2-OG1 3.41Å; V163-V181 HydrophobicContact CG1-CB 4.06Å; V163-V181 HydrophobicContact CG1-CG1 3.91Å; V163-V181 HydrophobicContact CG1-CG2 3.82Å
164W97Very high94.7Very high14 Ų1462.7 Ų62.75%0.05335%0.35CS..EExtended strand (participates in β ladder)trans-122.5139.3-173.9-47.286.6000111.2A125 Y139 P140 V143 L162 L174 G175 P176 Q177 T178A125-W164 HydrophobicContact CB-CE3 3.83Å; A125-W164 HydrophobicContact CB-CZ3 3.75Å; A125-W164 CarbonylContact O-C 3.49Å; A125-W164 WeakPolarHBondContact O-CA 3.22Å; Y139-W164 HydrophobicContact CD1-CZ3 4.17Å; Y139-W164 HydrophobicContact CE1-CE3 4.32Å; Y139-W164 AromaticContact CE1-CZ3 3.64Å; Y139-W164 HydrophobicContact CE1-CZ3 3.64Å; P140-W164 HydrophobicContact CB-CH2 4.04Å; P140-W164 HydrophobicContact CB-CZ2 4.33Å; V143-W164 HydrophobicContact CB-CH2 4.12Å; V143-W164 HydrophobicContact CB-CZ3 4.4Å; V143-W164 HydrophobicContact CG1-CH2 4.12Å; V143-W164 HydrophobicContact CG1-CZ3 4.29Å; V143-W164 HydrophobicContact CG2-CZ3 4.4Å; L162-W164 HydrophobicContact CD1-CH2 4.38Å; L162-W164 HydrophobicContact CD1-CZ2 4.37Å; L162-W164 HydrophobicContact CD2-CH2 3.95Å; L162-W164 HydrophobicContact CD2-CZ2 3.72Å; L162-W164 HydrophobicContact CG-CH2 4.33Å; L162-W164 HydrophobicContact CG-CZ2 3.92Å; W164-L174 WeakPolarHBondContact CB-O 3.3Å; W164-L174 HydrophobicContact CD2-CD2 3.68Å; W164-L174 HydrophobicContact CD2-CG 3.94Å; W164-L174 VanDerWaalsContact CE2-CD2 3.4Å; W164-L174 HydrophobicContact CE3-CD2 3.96Å; W164-L174 HydrophobicContact CG-CD2 4.38Å; W164-L174 HydrophobicContact CG-CG 4.13Å; W164-L174 HydrophobicContact CH2-CD2 3.81Å; W164-L174 HydrophobicContact CZ2-CD2 3.47Å; W164-L174 VanDerWaalsContact CZ2-CD2 3.47Å; W164-L174 HydrophobicContact CZ2-CG 4.2Å; W164-L174 HydrophobicContact CZ3-CD2 4.03Å; W164-G175 PolarHBondContact NE1-O 2.97Å; W164-P176 PolarHBondContact N-O 2.75Å; W164-Q177 CarbonylContact O-C 3.55Å; W164-Q177 VanDerWaalsContact O-CA 3.27Å; W164-Q177 WeakPolarHBondContact O-CA 3.48Å; W164-T178 VanDerWaalsContact C-OG1 3.25Å; W164-T178 PolarHBondContact O-N 3.34Å; W164-T178 PolarHBondContact O-OG1 2.99Å
165Q92.2Very high94.5Very high3 Ų363.7 Ų63.71%0.01436%0.364CS..EExtended strand (participates in β ladder)trans-117.9175.1-177.262.2175.93700112.4S124 A125 H126 S127 R167S124-Q165 WeakPolarHBondContact OG-CB 3.39Å; S124-Q165 VanDerWaalsContact OG-CD 3.27Å; S124-Q165 WeakPolarHBondContact OG-CG 3.48Å; S124-Q165 PolarHBondContact OG-OE1 2.97Å; A125-Q165 PolarHBondContact O-N 2.76Å; H126-Q165 PolarHBondContact CE1-NE2 2.89Å; H126-Q165 PolarHBondContact ND1-NE2 3.24Å; S127-Q165 VanDerWaalsContact CB-O 3.3Å; S127-Q165 WeakPolarHBondContact CB-O 3.42Å; S127-Q165 PolarHBondContact N-O 2.82Å; Q165-R167 PolarHBondContact O-N 3.29Å
166S83.9Confident94.5Very high18 Ų1864.1 Ų64.113%0.12636%0.356CS..  trans59.941.9167.3-32.60000113.9H126 V168 E210H126-S166 PolarHBondContact CD2-OG 2.87Å; H126-S166 PolarHBondContact NE2-OG 2.59Å; S166-V168 PolarHBondContact O-N 3.47Å; S166-E210 WeakPolarHBondContact CB-OE2 3.43Å; S166-E210 PolarHBondContact OG-OE1 2.92Å; S166-E210 PolarHBondContact OG-OE2 2.77Å
167R85.8Confident94.3Very high116 Ų11659.8 Ų59.844%0.43834%0.336SS..  trans-67.1126.2168.9169.317873.4-166.3-8.1109.9Q165 W173 E180Q165-R167 PolarHBondContact O-N 3.29Å; R167-W173 HydrophobicContact CB-CB 4.42Å; R167-W173 HydrophobicContact CB-CD2 4.31Å; R167-W173 HydrophobicContact CB-CG 4.21Å; R167-W173 HydrophobicContact CG-CB 4.09Å; R167-W173 VanDerWaalsContact CG-CD1 3.46Å; R167-W173 HydrophobicContact CG-CD2 4.04Å; R167-W173 HydrophobicContact CG-CG 3.66Å; R167-E180 IonicContact NH1-OE1 3.14Å; R167-E180 IonicContact NH2-OE1 3.15Å
168V83.6Confident94.1Very high110 Ų11056.6 Ų56.667%0.66732%0.315SS*.  trans-117133.2174.7-175.40000111.3S166 W173S166-V168 PolarHBondContact O-N 3.47Å; V168-W173 HydrophobicContact CB-CZ2 4.34Å; V168-W173 WeakPolarHBondContact O-CZ2 3.3Å; V168-W173 PolarHBondContact O-NE1 3.11Å; V168-W173 VanDerWaalsContact O-NE1 3.11Å
169G87.3Confident93.8Very high49 Ų4958.6 Ų58.651%0.50533%0.325SS..SBendtrans78.3178.9176.300000114.7M171G169-M171 PolarHBondContact O-N 2.82Å
170P89.6Confident93.5Very high135 Ų13560.4 Ų60.488%0.87733%0.328SS*.SBendtrans-86-7.1-166.533.8-37.4000114.6
171M92.1Very high93.4Very high131 Ų13158.9 Ų58.965%0.64532%0.324SS*.SBendtrans-69.1162.4-176.4-66.8-59.2-67.400111.3G169G169-M171 PolarHBondContact O-N 2.82Å
172P95.6Very high93.1Very high86 Ų8651.3 Ų51.356%0.55830%0.296SS*.  trans-71.2134.5173-20.233.6000112.2M130M130-P172 HydrophobicContact CB-CB 4.25Å; M130-P172 HydrophobicContact CG-CB 4.04Å; M130-P172 PolarHBondContact N-O 3.49Å
173W97.4Very high92.9Very high55 Ų5554.3 Ų54.321%0.20831%0.307CS..BIsolated β-bridgetrans-123.1160.3176.7-71.570000110.8S127 L128 P129 R167 V168 G175S127-W173 WeakPolarHBondContact O-CZ3 3.5Å; L128-W173 VanDerWaalsContact C-CE3 3.44Å; L128-W173 WeakPolarHBondContact O-CA 3.23Å; P129-W173 HydrophobicContact CG-CD2 4.14Å; P129-W173 HydrophobicContact CG-CE3 4.19Å; P129-W173 HydrophobicContact CG-CH2 4.02Å; P129-W173 HydrophobicContact CG-CZ2 3.93Å; P129-W173 HydrophobicContact CG-CZ3 4.15Å; R167-W173 HydrophobicContact CB-CB 4.42Å; R167-W173 HydrophobicContact CB-CD2 4.31Å; R167-W173 HydrophobicContact CB-CG 4.21Å; R167-W173 HydrophobicContact CG-CB 4.09Å; R167-W173 VanDerWaalsContact CG-CD1 3.46Å; R167-W173 HydrophobicContact CG-CD2 4.04Å; R167-W173 HydrophobicContact CG-CG 3.66Å; V168-W173 HydrophobicContact CB-CZ2 4.34Å; V168-W173 WeakPolarHBondContact O-CZ2 3.3Å; V168-W173 PolarHBondContact O-NE1 3.11Å; V168-W173 VanDerWaalsContact O-NE1 3.11Å; W173-G175 PolarHBondContact O-N 2.87Å
174L97.7Very high92.8Very high27 Ų2754.9 Ų54.914%0.14131%0.314CS..SBendtrans-60.5128174.9-173.761.2000110.1S127 L128 M130 V133 P140 W164 Q177S127-L174 PolarHBondContact OG-N 3.45Å; S127-L174 PolarHBondContact OG-O 3.11Å; L128-L174 PolarHBondContact O-N 2.94Å; M130-L174 HydrophobicContact SD-CB 4.2Å; M130-L174 HydrophobicContact SD-CD1 4.15Å; V133-L174 HydrophobicContact CG2-CB 4.15Å; V133-L174 HydrophobicContact CG2-CD2 4.19Å; P140-L174 HydrophobicContact CB-CD2 3.84Å; P140-L174 HydrophobicContact CG-CD2 3.63Å; W164-L174 WeakPolarHBondContact CB-O 3.3Å; W164-L174 HydrophobicContact CD2-CD2 3.68Å; W164-L174 HydrophobicContact CD2-CG 3.94Å; W164-L174 VanDerWaalsContact CE2-CD2 3.4Å; W164-L174 HydrophobicContact CE3-CD2 3.96Å; W164-L174 HydrophobicContact CG-CD2 4.38Å; W164-L174 HydrophobicContact CG-CG 4.13Å; W164-L174 HydrophobicContact CH2-CD2 3.81Å; W164-L174 HydrophobicContact CZ2-CD2 3.47Å; W164-L174 VanDerWaalsContact CZ2-CD2 3.47Å; W164-L174 HydrophobicContact CZ2-CG 4.2Å; W164-L174 HydrophobicContact CZ3-CD2 4.03Å; L174-Q177 PolarHBondContact O-NE2 3.38Å
175G96.1Very high92.7Very high37 Ų3755.9 Ų55.938%0.38132%0.32SS..SBendtrans-120.7178.5-179.300000112.5W164 W173W164-G175 PolarHBondContact NE1-O 2.97Å; W173-G175 PolarHBondContact O-N 2.87Å
176P97.4Very high92.8Very high67 Ų6755.9 Ų55.944%0.43532%0.32SS..SBendcis-77155.94.234.5-38000113.2V163 W164 V181V163-P176 HydrophobicContact CG1-CG 4.26Å; W164-P176 PolarHBondContact N-O 2.75Å; P176-V181 HydrophobicContact CB-CG2 3.54Å; P176-V181 HydrophobicContact CG-CG2 3.65Å
177Q95.1Very high93.3Very high8 Ų861.2 Ų61.24%0.03734%0.343CS..BIsolated β-bridgetrans-77.8144179.5-56.6-59.1-54.900111.5W164 L174 D179 E180 V181W164-Q177 CarbonylContact O-C 3.55Å; W164-Q177 VanDerWaalsContact O-CA 3.27Å; W164-Q177 WeakPolarHBondContact O-CA 3.48Å; L174-Q177 PolarHBondContact O-NE2 3.38Å; Q177-D179 WeakPolarHBondContact CB-OD1 3.3Å; Q177-D179 PolarHBondContact O-N 2.85Å; Q177-E180 HydrophobicContact CB-CB 4.22Å; Q177-E180 HydrophobicContact CB-CG 4.07Å; Q177-E180 PolarHBondContact O-N 3.3Å; Q177-V181 VanDerWaalsContact O-CG2 3.23Å; Q177-V181 WeakPolarHBondContact O-CG2 3.24Å; Q177-V181 PolarHBondContact O-N 3.12Å
178T93.8Very high93.8Very high0 Ų064.4 Ų64.40%036%0.355CS..Hα-helixtrans-62.4-45.4-172.9-59.50000112.2S124 V163 W164 V181 I182 L195 Y215S124-T178 PolarHBondContact OG-OG1 3.16Å; V163-T178 HydrophobicContact CG2-CG2 4.05Å; V163-T178 WeakPolarHBondContact CG2-OG1 3.41Å; W164-T178 VanDerWaalsContact C-OG1 3.25Å; W164-T178 PolarHBondContact O-N 3.34Å; W164-T178 PolarHBondContact O-OG1 2.99Å; T178-V181 PolarHBondContact O-N 3.37Å; T178-I182 HydrophobicContact CG2-CD1 3.96Å; T178-I182 VanDerWaalsContact O-CG1 3.26Å; T178-I182 WeakPolarHBondContact O-CG1 3.27Å; T178-I182 PolarHBondContact O-N 3.04Å; T178-L195 HydrophobicContact CG2-CD2 4.43Å; T178-Y215 HydrophobicContact CG2-CD2 3.92Å; T178-Y215 HydrophobicContact CG2-CE2 3.75Å
179D91.5Very high94.3Very high54 Ų5461.5 Ų61.529%0.28935%0.347SS..Hα-helixtrans-58.2-50.9173.855.4-15.6000112.5Q177 V181 I182 K183 Y215 L219Q177-D179 WeakPolarHBondContact CB-OD1 3.3Å; Q177-D179 PolarHBondContact O-N 2.85Å; D179-V181 VanDerWaalsContact C-N 3.27Å; D179-V181 PolarHBondContact O-N 3.39Å; D179-I182 PolarHBondContact O-N 3.29Å; D179-K183 PolarHBondContact O-N 3.11Å; D179-Y215 HydrophobicContact CB-CD1 4.22Å; D179-Y215 HydrophobicContact CB-CE1 3.65Å; D179-L219 HydrophobicContact CB-CD2 4.01Å
180E93.6Very high94.8Very high103 Ų10362.7 Ų62.748%0.48134%0.338SS..Hα-helixtrans-61.1-36.8179.1-67.2175.1-171.800111.4R167 Q177 G184R167-E180 IonicContact NH1-OE1 3.14Å; R167-E180 IonicContact NH2-OE1 3.15Å; Q177-E180 HydrophobicContact CB-CB 4.22Å; Q177-E180 HydrophobicContact CB-CG 4.07Å; Q177-E180 PolarHBondContact O-N 3.3Å; E180-G184 PolarHBondContact O-N 3.4Å
181V95.8Very high95.1Very high24 Ų2458.5 Ų58.515%0.14531%0.306CS..Hα-helixtrans-72.6-42.6177.81740000111.9L122 V163 P176 Q177 T178 D179 K183 G184 L185L122-V181 HydrophobicContact CD1-CG1 4.14Å; L122-V181 HydrophobicContact CD2-CG1 4.03Å; V163-V181 HydrophobicContact CG1-CB 4.06Å; V163-V181 HydrophobicContact CG1-CG1 3.91Å; V163-V181 HydrophobicContact CG1-CG2 3.82Å; P176-V181 HydrophobicContact CB-CG2 3.54Å; P176-V181 HydrophobicContact CG-CG2 3.65Å; Q177-V181 VanDerWaalsContact O-CG2 3.23Å; Q177-V181 WeakPolarHBondContact O-CG2 3.24Å; Q177-V181 PolarHBondContact O-N 3.12Å; T178-V181 PolarHBondContact O-N 3.37Å; D179-V181 VanDerWaalsContact C-N 3.27Å; D179-V181 PolarHBondContact O-N 3.39Å; V181-K183 VanDerWaalsContact C-N 3.31Å; V181-K183 PolarHBondContact O-N 3.02Å; V181-G184 PolarHBondContact O-N 3.05Å; V181-L185 HydrophobicContact CG1-CD1 3.77Å; V181-L185 HydrophobicContact CG1-CG 4.07Å; V181-L185 VanDerWaalsContact O-CB 3.29Å; V181-L185 WeakPolarHBondContact O-CB 3.42Å; V181-L185 VanDerWaalsContact O-CG 3.32Å; V181-L185 WeakPolarHBondContact O-CG 3.39Å; V181-L185 PolarHBondContact O-N 3.06Å
182I93.8Very high95.3Very high0 Ų052.4 Ų52.40%028%0.276CS..Hα-helixtrans-57.7-48.7175.5-70.7163.7000109.6L122 T178 D179 L185 S186 I193 L195 Y215 L219 V225 I228L122-I182 HydrophobicContact CD1-CG1 3.84Å; T178-I182 HydrophobicContact CG2-CD1 3.96Å; T178-I182 VanDerWaalsContact O-CG1 3.26Å; T178-I182 WeakPolarHBondContact O-CG1 3.27Å; T178-I182 PolarHBondContact O-N 3.04Å; D179-I182 PolarHBondContact O-N 3.29Å; I182-L185 PolarHBondContact O-N 3.25Å; I182-S186 WeakPolarHBondContact O-CB 3.47Å; I182-S186 PolarHBondContact O-N 3.45Å; I182-S186 PolarHBondContact O-OG 3.39Å; I182-I193 HydrophobicContact CB-CD1 4.44Å; I182-I193 HydrophobicContact CG1-CD1 4.37Å; I182-I193 HydrophobicContact CG2-CD1 4.05Å; I182-L195 HydrophobicContact CD1-CD2 4.04Å; I182-L195 HydrophobicContact CG1-CD2 4.47Å; I182-Y215 HydrophobicContact CD1-CD2 4.3Å; I182-Y215 HydrophobicContact CD1-CG 4.11Å; I182-L219 HydrophobicContact CB-CD2 3.82Å; I182-L219 HydrophobicContact CD1-CD2 4.21Å; I182-L219 HydrophobicContact CG2-CD2 3.74Å; I182-L219 HydrophobicContact CG2-CG 4.15Å; I182-V225 HydrophobicContact CG2-CG2 4.38Å; I182-I228 HydrophobicContact CD1-CD1 4.16Å; I182-I228 HydrophobicContact CG2-CD1 4.33Å
183K93.5Very high95.4Very high103 Ų10348.3 Ų48.345%0.44825%0.25SC..Hα-helixtrans-59.7-51.3176-179.5173.5-179.4174.80111.9D179 V181 L185 S186 E187D179-K183 PolarHBondContact O-N 3.11Å; V181-K183 VanDerWaalsContact C-N 3.31Å; V181-K183 PolarHBondContact O-N 3.02Å; K183-L185 VanDerWaalsContact C-N 3.34Å; K183-L185 PolarHBondContact O-N 2.99Å; K183-S186 WeakPolarHBondContact O-CB 3.02Å; K183-S186 PolarHBondContact O-N 3.35Å; K183-S186 VanDerWaalsContact O-N 3.14Å; K183-E187 WeakPolarHBondContact CE-OE1 3.48Å; K183-E187 WeakPolarHBondContact O-CG 3.44Å; K183-E187 PolarHBondContact O-N 3.43Å
184G95.6Very high95.4Very high13 Ų1345.7 Ų45.713%0.13424%0.24CC..Hα-helixtrans-63.4-36.1-177.400000113.8E180 V181 R188E180-G184 PolarHBondContact O-N 3.4Å; V181-G184 PolarHBondContact O-N 3.05Å; G184-R188 WeakPolarHBondContact O-CD 3.31Å; G184-R188 WeakPolarHBondContact O-CG 3.42Å; G184-R188 PolarHBondContact O-N 3.11Å; G184-R188 PolarHBondContact O-NH1 3.5Å
185L96.2Very high95.3Very high35 Ų3544.4 Ų44.418%0.18323%0.233CC..Hα-helixtrans-68.3-42.1173.5-77.2178.8000111.4V120 L122 V181 I182 K183 E187 R188 G189 K190V120-L185 HydrophobicContact CG1-CD1 3.98Å; L122-L185 HydrophobicContact CD1-CD1 4.24Å; L122-L185 HydrophobicContact CD2-CD1 3.94Å; L122-L185 HydrophobicContact CG-CD1 4.48Å; V181-L185 HydrophobicContact CG1-CD1 3.77Å; V181-L185 HydrophobicContact CG1-CG 4.07Å; V181-L185 VanDerWaalsContact O-CB 3.29Å; V181-L185 WeakPolarHBondContact O-CB 3.42Å; V181-L185 VanDerWaalsContact O-CG 3.32Å; V181-L185 WeakPolarHBondContact O-CG 3.39Å; V181-L185 PolarHBondContact O-N 3.06Å; I182-L185 PolarHBondContact O-N 3.25Å; K183-L185 VanDerWaalsContact C-N 3.34Å; K183-L185 PolarHBondContact O-N 2.99Å; L185-E187 PolarHBondContact O-N 3.47Å; L185-R188 CarbonylContact O-C 3.6Å; L185-R188 WeakPolarHBondContact O-CA 3.41Å; L185-R188 PolarHBondContact O-N 3.47Å; L185-G189 PolarHBondContact O-N 3.24Å; L185-K190 HydrophobicContact CB-CB 4.05Å; L185-K190 HydrophobicContact CD2-CB 4.4Å; L185-K190 HydrophobicContact CD2-CG 4.31Å; L185-K190 PolarHBondContact O-N 3.21Å
186S93.4Very high95.4Very high2 Ų242.7 Ų42.71%0.01422%0.215CC..Hα-helixtrans-62.3-41.5178.5-58.70000112.6I182 K183 R188 G189 K190 K191 V225I182-S186 WeakPolarHBondContact O-CB 3.47Å; I182-S186 PolarHBondContact O-N 3.45Å; I182-S186 PolarHBondContact O-OG 3.39Å; K183-S186 WeakPolarHBondContact O-CB 3.02Å; K183-S186 PolarHBondContact O-N 3.35Å; K183-S186 VanDerWaalsContact O-N 3.14Å; S186-R188 PolarHBondContact O-N 2.57Å; S186-G189 PolarHBondContact O-N 2.87Å; S186-K190 WeakPolarHBondContact CA-O 3.44Å; S186-K191 WeakPolarHBondContact O-CE 2.94Å; S186-K191 PolarHBondContact O-NZ 3.44Å; S186-V225 WeakPolarHBondContact OG-CG2 3.28Å
187E94.8Very high95.3Very high131 Ų13139.8 Ų39.861%0.61220%0.196SC*.Hα-helixtrans-64.2-24173.8-71.2171.8174.400112.5K183 L185K183-E187 WeakPolarHBondContact CE-OE1 3.48Å; K183-E187 WeakPolarHBondContact O-CG 3.44Å; K183-E187 PolarHBondContact O-N 3.43Å; L185-E187 PolarHBondContact O-N 3.47Å
188R96.3Very high95.4Very high183 Ų18339.4 Ų39.469%0.69119%0.194SC*.THydrogen-bonded Turntrans-9714.6178.1-68.5167.3-179.870.31.7112.9G184 L185 S186G184-R188 WeakPolarHBondContact O-CD 3.31Å; G184-R188 WeakPolarHBondContact O-CG 3.42Å; G184-R188 PolarHBondContact O-N 3.11Å; G184-R188 PolarHBondContact O-NH1 3.5Å; L185-R188 CarbonylContact O-C 3.6Å; L185-R188 WeakPolarHBondContact O-CA 3.41Å; L185-R188 PolarHBondContact O-N 3.47Å; S186-R188 PolarHBondContact O-N 2.57Å
189G95Very high95.5Very high49 Ų4939.5 Ų39.551%0.50520%0.195SC..THydrogen-bonded Turntrans82.65.5174.200000115.3L185 S186 K191L185-G189 PolarHBondContact O-N 3.24Å; S186-G189 PolarHBondContact O-N 2.87Å; G189-K191 PolarHBondContact O-N 3.24Å
190K96.6Very high95.2Very high73 Ų7339.3 Ų39.332%0.31719%0.192SC..  trans-85.8102.4171.8-65.9-54.1-169.9-175.80109.3D118 V120 L185 S186D118-K190 IonicContact OD1-NZ 3.22Å; D118-K190 PolarHBondContact OD1-NZ 3.08Å; V120-K190 HydrophobicContact CG2-CB 4.12Å; V120-K190 HydrophobicContact CG2-CD 4.07Å; V120-K190 HydrophobicContact CG2-CG 4.04Å; L185-K190 HydrophobicContact CB-CB 4.05Å; L185-K190 HydrophobicContact CD2-CB 4.4Å; L185-K190 HydrophobicContact CD2-CG 4.31Å; L185-K190 PolarHBondContact O-N 3.21Å; S186-K190 WeakPolarHBondContact CA-O 3.44Å
191K95.3Very high94.9Very high48 Ų4834.9 Ų34.921%0.20917%0.172CC..  trans-108.40.6-171.7-57.7-51.4-154.1174.40114.3S186 G189 C223 G224 V225 E226 N227S186-K191 WeakPolarHBondContact O-CE 2.94Å; S186-K191 PolarHBondContact O-NZ 3.44Å; G189-K191 PolarHBondContact O-N 3.24Å; K191-C223 PolarHBondContact NZ-O 2.92Å; K191-G224 WeakPolarHBondContact CD-O 3.06Å; K191-G224 WeakPolarHBondContact CE-O 2.99Å; K191-G224 PolarHBondContact NZ-O 2.77Å; K191-G224 VanDerWaalsContact NZ-O 3.09Å; K191-V225 VanDerWaalsContact O-CG1 3.24Å; K191-V225 WeakPolarHBondContact O-CG1 3.45Å; K191-E226 HydrophobicContact CB-CB 3.93Å; K191-E226 HydrophobicContact CB-CG 3.78Å; K191-E226 HydrophobicContact CG-CG 4.39Å; K191-E226 PolarHBondContact O-N 2.79Å; K191-N227 PolarHBondContact O-N 3.01Å
192N96.8Very high94.5Very high2 Ų235.9 Ų35.91%0.01118%0.18CC..EExtended strand (participates in β ladder)trans-121.2108.9-179-59.4-69.9000108.9F111 D118 V119 V120 N227F111-N192 HydrophobicContact CD1-CB 4.44Å; F111-N192 HydrophobicContact CE1-CB 4.29Å; D118-N192 PolarHBondContact OD2-ND2 3.02Å; V119-N192 WeakPolarHBondContact CA-O 3.36Å; V119-N192 HydrophobicContact CG2-CB 4.02Å; V120-N192 PolarHBondContact N-O 3.03Å; N192-N227 CarbonylContact C-O 3.38Å; N192-N227 VanDerWaalsContact CA-O 3.31Å; N192-N227 WeakPolarHBondContact CA-O 3.46Å; N192-N227 PolarHBondContact OD1-OD1 2.89Å; N192-N227 VanDerWaalsContact OD1-OD1 3.12Å
193I97.1Very high93.9Very high0 Ų038.4 Ų38.40%019%0.194CC..EExtended strand (participates in β ladder)trans-128.4128.5-170.4-63.4173.5000110.3F111 V120 L122 I182 L195 N227 I228 R229F111-I193 WeakPolarHBondContact CZ-O 3.15Å; V120-I193 WeakPolarHBondContact O-CA 3.36Å; L122-I193 HydrophobicContact CB-CG2 4.5Å; L122-I193 HydrophobicContact CD1-CG2 3.64Å; L122-I193 HydrophobicContact CG-CG2 3.93Å; I182-I193 HydrophobicContact CB-CD1 4.44Å; I182-I193 HydrophobicContact CG1-CD1 4.37Å; I182-I193 HydrophobicContact CG2-CD1 4.05Å; I193-L195 HydrophobicContact CG2-CD2 3.9Å; I193-L195 HydrophobicContact CG2-CG 4.44Å; I193-N227 PolarHBondContact N-O 3.13Å; I193-I228 HydrophobicContact CB-CD1 4.46Å; I193-I228 HydrophobicContact CB-CG1 4.32Å; I193-I228 HydrophobicContact CG2-CD1 4.37Å; I193-I228 HydrophobicContact CG2-CG1 4.41Å; I193-I228 VanDerWaalsContact O-CA 3.32Å; I193-I228 WeakPolarHBondContact O-CA 3.21Å; I193-R229 PolarHBondContact O-N 3.47Å
194L97.7Very high93Very high0 Ų035.4 Ų35.40%018%0.181CC..EExtended strand (participates in β ladder)trans-109.3112.3171174.558.1000110.1I104 E107 L108 F111 V119 V120 I121 L122 V196 R229 A231I104-L194 HydrophobicContact CG2-CD2 3.93Å; E107-L194 HydrophobicContact CB-CD1 3.84Å; E107-L194 HydrophobicContact CB-CD2 4.35Å; E107-L194 HydrophobicContact CG-CD1 3.48Å; E107-L194 VanDerWaalsContact CG-CD1 3.48Å; L108-L194 HydrophobicContact CD2-CD2 3.92Å; L108-L194 HydrophobicContact CG-CD2 3.88Å; F111-L194 HydrophobicContact CE2-CB 4.2Å; F111-L194 HydrophobicContact CE2-CD1 4.47Å; F111-L194 HydrophobicContact CZ-CB 4.27Å; V119-L194 HydrophobicContact CG1-CB 3.75Å; V120-L194 PolarHBondContact O-N 3.42Å; I121-L194 CarbonylContact C-O 3.51Å; I121-L194 HydrophobicContact CG1-CD2 4.46Å; L122-L194 PolarHBondContact N-O 2.89Å; L194-V196 HydrophobicContact CG-CG2 4.2Å; L194-R229 CarbonylContact C-O 3.54Å; L194-R229 WeakPolarHBondContact CA-O 3.38Å; L194-R229 HydrophobicContact CD1-CB 4.27Å; L194-A231 HydrophobicContact CD1-CB 4.31Å
195L96.8Very high91.6Very high0 Ų041.2 Ų41.20%021%0.208CC..EExtended strand (participates in β ladder)trans-81.1132.2173.8-55.7177.1000110.1L122 T178 I182 I193 L211 I228 R229 R230 A231L122-L195 HydrophobicContact CB-CD2 3.99Å; L122-L195 HydrophobicContact CD1-CD2 4.13Å; L122-L195 CarbonylContact O-C 3.48Å; L122-L195 WeakPolarHBondContact O-CA 3.45Å; T178-L195 HydrophobicContact CG2-CD2 4.43Å; I182-L195 HydrophobicContact CD1-CD2 4.04Å; I182-L195 HydrophobicContact CG1-CD2 4.47Å; I193-L195 HydrophobicContact CG2-CD2 3.9Å; I193-L195 HydrophobicContact CG2-CG 4.44Å; L195-L211 HydrophobicContact CD1-CB 4.34Å; L195-L211 HydrophobicContact CD1-CD2 4.11Å; L195-I228 HydrophobicContact CD1-CD1 4.11Å; L195-I228 HydrophobicContact CD1-CG1 4.19Å; L195-I228 HydrophobicContact CG-CD1 4.45Å; L195-I228 HydrophobicContact CG-CG1 4.32Å; L195-R229 PolarHBondContact N-O 3.39Å; L195-R230 HydrophobicContact CB-CB 4.42Å; L195-R230 HydrophobicContact CB-CG 4.42Å; L195-R230 CarbonylContact O-C 3.47Å; L195-R230 WeakPolarHBondContact O-CA 3.34Å; L195-A231 PolarHBondContact O-N 3.3Å
196V97.3Very high90.2Very high1 Ų142.7 Ų42.71%0.00621%0.214CC..EExtended strand (participates in β ladder)trans-125113.5179-1770000109.8F100 I104 I121 L122 F123 S124 L194 I198 A231F100-V196 HydrophobicContact CD1-CG1 4.37Å; I104-V196 HydrophobicContact CD1-CG1 4.06Å; I104-V196 HydrophobicContact CD1-CG2 3.97Å; I104-V196 HydrophobicContact CG1-CG1 4.24Å; I104-V196 HydrophobicContact CG1-CG2 3.77Å; I121-V196 HydrophobicContact CG2-CG2 3.66Å; L122-V196 PolarHBondContact O-N 3.38Å; F123-V196 HydrophobicContact CD1-CB 3.77Å; F123-V196 HydrophobicContact CD1-CG1 3.73Å; F123-V196 HydrophobicContact CD1-CG2 4.34Å; F123-V196 HydrophobicContact CE1-CB 4.17Å; F123-V196 HydrophobicContact CE1-CG1 3.91Å; F123-V196 HydrophobicContact CE1-CG2 4.35Å; F123-V196 HydrophobicContact CG-CB 4.44Å; S124-V196 PolarHBondContact N-O 3.44Å; L194-V196 HydrophobicContact CG-CG2 4.2Å; V196-I198 HydrophobicContact CG1-CD1 4.39Å; V196-I198 PolarHBondContact O-N 3.45Å; V196-A231 HydrophobicContact CG2-CB 4.21Å
197P95.9Very high88.8Confident6 Ų642.6 Ų42.64%0.03921%0.213CC..EExtended strand (participates in β ladder)trans-73.688.9175.430.2-33.3000110.3F100 T207 L211F100-P197 WeakPolarHBondContact CE1-O 3.31Å; P197-T207 HydrophobicContact CB-CG2 3.97Å; P197-L211 HydrophobicContact CB-CD1 4.47Å
198I97.4Very high87.8Confident0 Ų040.5 Ų40.50%021%0.205CC..  trans-85.5-17.1-165.3-162.555.3000114.6Q56 F100 F123 S124 A125 V143 T146 V147 V150 L162 V196Q56-I198 PolarHBondContact NE2-O 3.43Å; F100-I198 HydrophobicContact CD1-CD1 4.01Å; F100-I198 HydrophobicContact CD2-CD1 3.78Å; F100-I198 HydrophobicContact CE1-CD1 4.04Å; F100-I198 HydrophobicContact CE2-CD1 3.78Å; F100-I198 HydrophobicContact CG-CD1 3.9Å; F100-I198 HydrophobicContact CZ-CD1 3.93Å; F100-I198 WeakPolarHBondContact CZ-O 3.39Å; F123-I198 HydrophobicContact CB-CB 4.22Å; F123-I198 HydrophobicContact CB-CG2 4.14Å; F123-I198 HydrophobicContact CD1-CB 3.97Å; F123-I198 HydrophobicContact CD1-CD1 3.72Å; F123-I198 HydrophobicContact CD1-CG1 3.77Å; F123-I198 HydrophobicContact CE1-CD1 3.97Å; F123-I198 HydrophobicContact CE1-CG1 4.47Å; S124-I198 PolarHBondContact O-N 3.22Å; S124-I198 VanDerWaalsContact O-N 3.16Å; A125-I198 HydrophobicContact CB-CG2 3.95Å; V143-I198 HydrophobicContact CG1-CG2 3.85Å; T146-I198 HydrophobicContact CG2-CD1 3.84Å; T146-I198 HydrophobicContact CG2-CG1 4Å; V147-I198 HydrophobicContact CG2-CG1 3.88Å; V147-I198 HydrophobicContact CG2-CG2 4.34Å; V150-I198 HydrophobicContact CG2-CD1 4.28Å; L162-I198 HydrophobicContact CD1-CG2 4.49Å; V196-I198 HydrophobicContact CG1-CD1 4.39Å; V196-I198 PolarHBondContact O-N 3.45Å
199A94.4Very high86.7Confident2 Ų235.9 Ų35.92%0.01719%0.192CC..SBendtrans-114.27-171.700000114.3A125 Y139 V143A125-A199 HydrophobicContact CB-CB 3.84Å; Y139-A199 HydrophobicContact CE2-CB 4.2Å; Y139-A199 WeakPolarHBondContact OH-CB 3.3Å; V143-A199 HydrophobicContact CG2-CB 4.29Å
200F86.4Confident85.9Confident50 Ų5035.4 Ų35.422%0.21918%0.176CC..  trans-138.7144.7177.2-78.8-99000109.8Y54 H126 H204Y54-F200 HydrophobicContact CD1-CE1 4.47Å; Y54-F200 HydrophobicContact CE1-CD1 4.44Å; Y54-F200 AromaticContact CE1-CE1 3.77Å; Y54-F200 HydrophobicContact CE1-CE1 3.77Å; Y54-F200 HydrophobicContact CE1-CZ 4.11Å; H126-F200 HydrophobicContact CB-CE2 4.07Å; H126-F200 AromaticContact CE1-CE2 3.7Å; H126-F200 AromaticContact CG-CE2 3.68Å; H126-F200 AromaticContact ND1-CD2 3.48Å; H126-F200 WeakPolarHBondContact ND1-CD2 3.07Å; H126-F200 AromaticContact ND1-CE2 3.02Å; H126-F200 WeakPolarHBondContact ND1-CE2 3.25Å; H126-F200 AromaticContact ND1-CZ 3.76Å; F200-H204 WeakPolarHBondContact CB-CE1 3.35Å; F200-H204 AromaticContact CD1-CE1 3.62Å; F200-H204 AromaticContact CD1-NE2 3.59Å; F200-H204 AromaticContact CD2-NE2 3.94Å; F200-H204 AromaticContact CG-CE1 3.42Å; F200-H204 VanDerWaalsContact CG-CE1 3.42Å; F200-H204 WeakPolarHBondContact CG-CE1 3.48Å; F200-H204 AromaticContact CG-NE2 3.53Å
201T87.6Confident84.9Confident10 Ų1031.9 Ų31.96%0.06116%0.161CC..SBendtrans-106.4-10.1-167.857.90000113.7P55 W90 L234 N235 F240P55-T201 HydrophobicContact CG-CG2 3.98Å; W90-T201 HydrophobicContact CH2-CG2 4.01Å; T201-L234 HydrophobicContact CG2-CD1 3.92Å; T201-L234 CarbonylContact O-C 3.6Å; T201-L234 WeakPolarHBondContact O-CA 3.22Å; T201-L234 VanDerWaalsContact O-CB 3.27Å; T201-L234 WeakPolarHBondContact O-CB 3.24Å; T201-L234 PolarHBondContact O-N 3.29Å; T201-L234 VanDerWaalsContact O-N 3.16Å; T201-N235 PolarHBondContact O-N 3.14Å; T201-F240 HydrophobicContact CG2-CE2 4.11Å; T201-F240 HydrophobicContact CG2-CZ 3.69Å
202S86.2Confident84Confident45 Ų4531.7 Ų31.732%0.31516%0.162SC..SBendtrans-135.7152.6178.6-540000109.8Q2 H204 N235Q2-S202 PolarHBondContact NE2-OG 3.23Å; S202-H204 PolarHBondContact O-N 3.1Å; S202-H204 PolarHBondContact O-ND1 3.16Å; S202-N235 WeakPolarHBondContact CA-OD1 3.39Å
203D82.3Confident83Confident54 Ų5434.8 Ų34.829%0.28918%0.178SC..  trans-61.4137.4172.1-68.1-46.5000110.6T207 L208 R230 S233 N235D203-T207 WeakPolarHBondContact CA-OG1 3.3Å; D203-L208 HydrophobicContact CB-CD1 4.33Å; D203-L208 HydrophobicContact CB-CD2 4.41Å; D203-L208 HydrophobicContact CB-CG 4.25Å; D203-R230 IonicContact OD1-CZ 3.83Å; D203-R230 IonicContact OD1-NH1 3.11Å; D203-R230 PolarHBondContact OD1-NH1 3.13Å; D203-R230 IonicContact OD1-NH2 2.82Å; D203-S233 VanDerWaalsContact OD1-CB 3.23Å; D203-S233 WeakPolarHBondContact OD1-CB 3.43Å; D203-S233 PolarHBondContact OD1-OG 3.04Å; D203-N235 PolarHBondContact N-OD1 3.07Å; D203-N235 PolarHBondContact OD2-ND2 3.22Å
204H74Confident82.1Confident39 Ų3939 Ų3918%0.18120%0.198CC..  trans-138.6174.1176.746.1-60.7000108.4H126 F200 S202 E206 T207 L208H126-H204 AromaticContact CE1-NE2 3.37Å; H126-H204 PolarHBondContact CE1-NE2 3.3Å; F200-H204 WeakPolarHBondContact CB-CE1 3.35Å; F200-H204 AromaticContact CD1-CE1 3.62Å; F200-H204 AromaticContact CD1-NE2 3.59Å; F200-H204 AromaticContact CD2-NE2 3.94Å; F200-H204 AromaticContact CG-CE1 3.42Å; F200-H204 VanDerWaalsContact CG-CE1 3.42Å; F200-H204 WeakPolarHBondContact CG-CE1 3.48Å; F200-H204 AromaticContact CG-NE2 3.53Å; S202-H204 PolarHBondContact O-N 3.1Å; S202-H204 PolarHBondContact O-ND1 3.16Å; H204-E206 IonicContact CD2-OE2 2.78Å; H204-E206 PolarHBondContact CD2-OE2 3.33Å; H204-E206 IonicContact CG-OE2 3.99Å; H204-E206 PolarHBondContact O-N 2.8Å; H204-E206 VanDerWaalsContact O-N 3.17Å; H204-T207 WeakPolarHBondContact CE1-CG2 3.18Å; H204-T207 PolarHBondContact N-OG1 2.98Å; H204-T207 PolarHBondContact O-N 3.16Å; H204-T207 VanDerWaalsContact O-N 3.12Å; H204-T207 PolarHBondContact O-OG1 3.41Å; H204-L208 PolarHBondContact O-N 2.82Å; H204-L208 VanDerWaalsContact O-N 3.11Å
205I67.3Low81.1Confident135 Ų13539.9 Ų39.969%0.69220%0.201SC*.Hα-helixtrans-53.4-41.2-175.3-71172000110.3L208 H209I205-L208 PolarHBondContact O-N 3.26Å; I205-H209 HydrophobicContact CG2-CB 4.5Å; I205-H209 WeakPolarHBondContact O-CB 3.02Å; I205-H209 PolarHBondContact O-N 2.88Å
206E65Low79.9Confident67 Ų6741 Ų4131%0.31321%0.211SC..Hα-helixtrans-66-40.6-177.3-60.889.115400111.9H204 E210 L211H204-E206 IonicContact CD2-OE2 2.78Å; H204-E206 PolarHBondContact CD2-OE2 3.33Å; H204-E206 IonicContact CG-OE2 3.99Å; H204-E206 PolarHBondContact O-N 2.8Å; H204-E206 VanDerWaalsContact O-N 3.17Å; E206-E210 VanDerWaalsContact O-CB 3.24Å; E206-E210 WeakPolarHBondContact O-CB 3.33Å; E206-E210 PolarHBondContact O-N 3.07Å; E206-L211 PolarHBondContact O-N 3.22Å
207T64.5Low79Confident0 Ų046.1 Ų46.10%023%0.234CC..Iπ-helixtrans-71.1-33175.348.20000113.3P197 D203 H204 L211P197-T207 HydrophobicContact CB-CG2 3.97Å; D203-T207 WeakPolarHBondContact CA-OG1 3.3Å; H204-T207 WeakPolarHBondContact CE1-CG2 3.18Å; H204-T207 PolarHBondContact N-OG1 2.98Å; H204-T207 PolarHBondContact O-N 3.16Å; H204-T207 VanDerWaalsContact O-N 3.12Å; H204-T207 PolarHBondContact O-OG1 3.41Å; T207-L211 HydrophobicContact CG2-CD1 4.14Å; T207-L211 WeakPolarHBondContact O-CB 3.17Å
208L73.5Confident78.2Confident86 Ų8649.3 Ų49.345%0.4525%0.253SS..Iπ-helixtrans-87.6-27.3-176.5-68.4173.5000113.1D203 H204 I205 D212D203-L208 HydrophobicContact CB-CD1 4.33Å; D203-L208 HydrophobicContact CB-CD2 4.41Å; D203-L208 HydrophobicContact CB-CG 4.25Å; H204-L208 PolarHBondContact O-N 2.82Å; H204-L208 VanDerWaalsContact O-N 3.11Å; I205-L208 PolarHBondContact O-N 3.26Å; L208-D212 WeakPolarHBondContact O-CB 3.46Å
209H74.5Confident77.3Confident87 Ų8750.3 Ų50.340%0.40326%0.259SS..Iπ-helixtrans-101.9-55.6-178.8-168.2-85.3000111.5I205 I213 E214I205-H209 HydrophobicContact CG2-CB 4.5Å; I205-H209 WeakPolarHBondContact O-CB 3.02Å; I205-H209 PolarHBondContact O-N 2.88Å; H209-I213 WeakPolarHBondContact O-CA 3.46Å; H209-I213 VanDerWaalsContact O-CB 3.27Å; H209-I213 WeakPolarHBondContact O-CB 3.21Å; H209-I213 PolarHBondContact O-N 3.23Å; H209-E214 IonicContact CE1-OE1 3.21Å; H209-E214 PolarHBondContact CE1-OE1 3.47Å; H209-E214 IonicContact ND1-OE1 3.18Å; H209-E214 PolarHBondContact ND1-OE1 3.1Å; H209-E214 VanDerWaalsContact ND1-OE1 3.14Å; H209-E214 PolarHBondContact O-N 2.72Å
210E77.1Confident76.5Confident38 Ų3850.6 Ų50.618%0.17826%0.261CS..Iπ-helixtrans-67.9-50.6-175.6-57.1-178.3-170.500110.7S166 E206 E214 Y215S166-E210 WeakPolarHBondContact CB-OE2 3.43Å; S166-E210 PolarHBondContact OG-OE1 2.92Å; S166-E210 PolarHBondContact OG-OE2 2.77Å; E206-E210 VanDerWaalsContact O-CB 3.24Å; E206-E210 WeakPolarHBondContact O-CB 3.33Å; E206-E210 PolarHBondContact O-N 3.07Å; E210-E214 WeakPolarHBondContact O-CB 3.4Å; E210-E214 PolarHBondContact O-N 2.87Å; E210-Y215 HydrophobicContact CB-CE2 4.5Å; E210-Y215 WeakPolarHBondContact O-CB 3.12Å; E210-Y215 VanDerWaalsContact O-CG 3.3Å; E210-Y215 PolarHBondContact O-N 2.96Å
211L76Confident76.3Confident0 Ų056 Ų560%029%0.287CS..Iπ-helixtrans-73.6-48.2-177.3-59.4-179.3000112.6L195 P197 E206 T207 Y215 A216 R230L195-L211 HydrophobicContact CD1-CB 4.34Å; L195-L211 HydrophobicContact CD1-CD2 4.11Å; P197-L211 HydrophobicContact CB-CD1 4.47Å; E206-L211 PolarHBondContact O-N 3.22Å; T207-L211 HydrophobicContact CG2-CD1 4.14Å; T207-L211 WeakPolarHBondContact O-CB 3.17Å; L211-Y215 HydrophobicContact CD2-CD2 3.62Å; L211-Y215 HydrophobicContact CD2-CE2 3.93Å; L211-A216 WeakPolarHBondContact O-CB 3.46Å; L211-A216 PolarHBondContact O-N 3Å; L211-R230 HydrophobicContact CD1-CG 4.26Å
212D77.1Confident76.2Confident44 Ų4462.7 Ų62.724%0.23532%0.317CS..Iπ-helixtrans-84.3-24.8-170.8-67.9-23.7000113.9L208 Q217 R230L208-D212 WeakPolarHBondContact O-CB 3.46Å; D212-Q217 WeakPolarHBondContact O-CG 3.34Å; D212-Q217 PolarHBondContact O-NE2 2.72Å; D212-R230 VanDerWaalsContact CG-NE 3.32Å; D212-R230 WeakPolarHBondContact OD1-CD 3.37Å; D212-R230 IonicContact OD1-CZ 2.72Å; D212-R230 IonicContact OD1-NE 2.7Å; D212-R230 PolarHBondContact OD1-NE 3.21Å; D212-R230 IonicContact OD1-NH2 3.48Å; D212-R230 IonicContact OD2-CZ 3.88Å; D212-R230 IonicContact OD2-NE 3.68Å; D212-R230 PolarHBondContact OD2-NE 2.9Å; D212-R230 VanDerWaalsContact OD2-NE 3.16Å; D212-R230 IonicContact OD2-NH2 2.71Å; D212-R230 PolarHBondContact OD2-NH2 3.27Å
213I74.7Confident76.2Confident67 Ų6761.6 Ų61.634%0.34431%0.31SS..Iπ-helixtrans-109.2-62.1-178.8-54.8175.5000110.1H209 Y215 Q217 V218H209-I213 WeakPolarHBondContact O-CA 3.46Å; H209-I213 VanDerWaalsContact O-CB 3.27Å; H209-I213 WeakPolarHBondContact O-CB 3.21Å; H209-I213 PolarHBondContact O-N 3.23Å; I213-Y215 PolarHBondContact O-N 3.43Å; I213-Q217 VanDerWaalsContact O-CB 3.31Å; I213-Q217 WeakPolarHBondContact O-CB 3.42Å; I213-Q217 PolarHBondContact O-N 3.41Å; I213-Q217 VanDerWaalsContact O-N 3.12Å; I213-V218 PolarHBondContact O-N 3.07Å; I213-V218 VanDerWaalsContact O-N 3.11Å
214E77.8Confident76.4Confident88 Ų8861 Ų6141%0.41132%0.316SS..Iπ-helixtrans-65.2-46.7-174-63.3-178.9-174.100111.9H209 E210 V218 L219H209-E214 IonicContact CE1-OE1 3.21Å; H209-E214 PolarHBondContact CE1-OE1 3.47Å; H209-E214 IonicContact ND1-OE1 3.18Å; H209-E214 PolarHBondContact ND1-OE1 3.1Å; H209-E214 VanDerWaalsContact ND1-OE1 3.14Å; H209-E214 PolarHBondContact O-N 2.72Å; E210-E214 WeakPolarHBondContact O-CB 3.4Å; E210-E214 PolarHBondContact O-N 2.87Å; E214-V218 WeakPolarHBondContact O-CB 3.44Å; E214-L219 WeakPolarHBondContact O-CB 3.38Å; E214-L219 PolarHBondContact O-N 3.4Å
215Y77.3Confident77.1Confident19 Ų1960.1 Ų60.18%0.07531%0.314CS..Iπ-helixtrans-85.9-49.4-178.3-59.6-18.9000112.6T178 D179 I182 E210 L211 I213 L219 A220T178-Y215 HydrophobicContact CG2-CD2 3.92Å; T178-Y215 HydrophobicContact CG2-CE2 3.75Å; D179-Y215 HydrophobicContact CB-CD1 4.22Å; D179-Y215 HydrophobicContact CB-CE1 3.65Å; I182-Y215 HydrophobicContact CD1-CD2 4.3Å; I182-Y215 HydrophobicContact CD1-CG 4.11Å; E210-Y215 HydrophobicContact CB-CE2 4.5Å; E210-Y215 WeakPolarHBondContact O-CB 3.12Å; E210-Y215 VanDerWaalsContact O-CG 3.3Å; E210-Y215 PolarHBondContact O-N 2.96Å; L211-Y215 HydrophobicContact CD2-CD2 3.62Å; L211-Y215 HydrophobicContact CD2-CE2 3.93Å; I213-Y215 PolarHBondContact O-N 3.43Å; Y215-L219 HydrophobicContact CD1-CD2 4.25Å; Y215-A220 PolarHBondContact O-N 3.28Å
216A72.4Confident78.3Confident24 Ų2458.6 Ų58.620%0.19830%0.304CS..Iπ-helixtrans-76.8-26.7-172.600000114.3L211 A220 I228L211-A216 WeakPolarHBondContact O-CB 3.46Å; L211-A216 PolarHBondContact O-N 3Å; A216-A220 WeakPolarHBondContact O-CB 3.16Å; A216-I228 HydrophobicContact CB-CG1 4.4Å; A216-I228 HydrophobicContact CB-CG2 3.82Å; A216-I228 WeakPolarHBondContact O-CG2 3.42Å
217Q77.1Confident79.7Confident107 Ų10757.8 Ų57.850%0.530%0.301SS..Iπ-helixtrans-102.2-62.8178.2-61.1169.813.600110.3D212 I213 E221D212-Q217 WeakPolarHBondContact O-CG 3.34Å; D212-Q217 PolarHBondContact O-NE2 2.72Å; I213-Q217 VanDerWaalsContact O-CB 3.31Å; I213-Q217 WeakPolarHBondContact O-CB 3.42Å; I213-Q217 PolarHBondContact O-N 3.41Å; I213-Q217 VanDerWaalsContact O-N 3.12Å; Q217-E221 WeakPolarHBondContact O-CG 3.46Å; Q217-E221 PolarHBondContact O-N 3.37Å
218V79Confident81.1Confident73 Ų7359.2 Ų59.244%0.44231%0.309SS..Iπ-helixtrans-68.9-57.2-170.7-178.30000111.4I213 E214 A220 E221 E222I213-V218 PolarHBondContact O-N 3.07Å; I213-V218 VanDerWaalsContact O-N 3.11Å; E214-V218 WeakPolarHBondContact O-CB 3.44Å; V218-A220 VanDerWaalsContact C-N 3.29Å; V218-A220 PolarHBondContact O-N 3.48Å; V218-E221 PolarHBondContact O-N 2.9Å; V218-E222 WeakPolarHBondContact O-CG 3.13Å; V218-E222 PolarHBondContact O-N 2.89Å; V218-E222 VanDerWaalsContact O-N 3.13Å
219L78.5Confident82Confident22 Ų2259.3 Ų59.312%0.11530%0.303CS..Iπ-helixtrans-67.3-32.6-175.6-172.165.8000112.6D179 I182 E214 Y215 E222 C223D179-L219 HydrophobicContact CB-CD2 4.01Å; I182-L219 HydrophobicContact CB-CD2 3.82Å; I182-L219 HydrophobicContact CD1-CD2 4.21Å; I182-L219 HydrophobicContact CG2-CD2 3.74Å; I182-L219 HydrophobicContact CG2-CG 4.15Å; E214-L219 WeakPolarHBondContact O-CB 3.38Å; E214-L219 PolarHBondContact O-N 3.4Å; Y215-L219 HydrophobicContact CD1-CD2 4.25Å; L219-E222 PolarHBondContact O-N 3.03Å; L219-C223 VanDerWaalsContact O-CB 3.23Å; L219-C223 WeakPolarHBondContact O-CB 3.22Å; L219-C223 PolarHBondContact O-N 3.47Å; L219-C223 PolarHBondContact O-SG 2.87Å
220A77.8Confident83Confident7 Ų757 Ų576%0.05829%0.291CS..Hα-helixtrans-65-44.4178.300000112.3Y215 A216 V218 G224 V225 I228Y215-A220 PolarHBondContact O-N 3.28Å; A216-A220 WeakPolarHBondContact O-CB 3.16Å; V218-A220 VanDerWaalsContact C-N 3.29Å; V218-A220 PolarHBondContact O-N 3.48Å; A220-G224 PolarHBondContact O-N 3.17Å; A220-G224 VanDerWaalsContact O-N 3.07Å; A220-V225 HydrophobicContact CB-CB 3.98Å; A220-V225 HydrophobicContact CB-CG2 4.36Å; A220-V225 PolarHBondContact O-N 3.11Å; A220-I228 HydrophobicContact CB-CG2 3.67Å
221E82.1Confident83.8Confident165 Ų16555.3 Ų55.377%0.77128%0.283SS*.Hα-helixtrans-63.6-46.6174.7-74.4178.8-173.400111.1Q217 V218 C223 G224Q217-E221 WeakPolarHBondContact O-CG 3.46Å; Q217-E221 PolarHBondContact O-N 3.37Å; V218-E221 PolarHBondContact O-N 2.9Å; E221-C223 VanDerWaalsContact C-N 3.32Å; E221-C223 PolarHBondContact O-N 2.81Å; E221-G224 PolarHBondContact O-N 2.79Å
222E85.6Confident84.6Confident149 Ų14960.6 Ų60.670%0.69631%0.308SS*.Hα-helixtrans-62.6-36.7179.5-71.6-178.6177.100113.2V218 L219V218-E222 WeakPolarHBondContact O-CG 3.13Å; V218-E222 PolarHBondContact O-N 2.89Å; V218-E222 VanDerWaalsContact O-N 3.13Å; L219-E222 PolarHBondContact O-N 3.03Å
223C85.9Confident85.4Confident22 Ų2258.6 Ų58.615%0.14930%0.298CS..Hα-helixtrans-93.1-1.1-176.3-62.30000113.5K191 L219 E221 V225K191-C223 PolarHBondContact NZ-O 2.92Å; L219-C223 VanDerWaalsContact O-CB 3.23Å; L219-C223 WeakPolarHBondContact O-CB 3.22Å; L219-C223 PolarHBondContact O-N 3.47Å; L219-C223 PolarHBondContact O-SG 2.87Å; E221-C223 VanDerWaalsContact C-N 3.32Å; E221-C223 PolarHBondContact O-N 2.81Å; C223-V225 VanDerWaalsContact C-N 3.35Å; C223-V225 HydrophobicContact CB-CG2 4.16Å; C223-V225 PolarHBondContact O-N 3.17Å
224G87.5Confident86.3Confident42 Ų4255.5 Ų55.543%0.43328%0.281SS..THydrogen-bonded Turntrans58.445.3-175.600000112.2K191 A220 E221K191-G224 WeakPolarHBondContact CD-O 3.06Å; K191-G224 WeakPolarHBondContact CE-O 2.99Å; K191-G224 PolarHBondContact NZ-O 2.77Å; K191-G224 VanDerWaalsContact NZ-O 3.09Å; A220-G224 PolarHBondContact O-N 3.17Å; A220-G224 VanDerWaalsContact O-N 3.07Å; E221-G224 PolarHBondContact O-N 2.79Å
225V89.6Confident86.9Confident20 Ų2053 Ų5312%0.12127%0.271CS..  trans-73.2130.4171.4-179.90000108.1I182 S186 K191 A220 C223 I228I182-V225 HydrophobicContact CG2-CG2 4.38Å; S186-V225 WeakPolarHBondContact OG-CG2 3.28Å; K191-V225 VanDerWaalsContact O-CG1 3.24Å; K191-V225 WeakPolarHBondContact O-CG1 3.45Å; A220-V225 HydrophobicContact CB-CB 3.98Å; A220-V225 HydrophobicContact CB-CG2 4.36Å; A220-V225 PolarHBondContact O-N 3.11Å; C223-V225 VanDerWaalsContact C-N 3.35Å; C223-V225 HydrophobicContact CB-CG2 4.16Å; C223-V225 PolarHBondContact O-N 3.17Å; V225-I228 HydrophobicContact CG1-CB 3.95Å
226E92.1Very high87.6Confident104 Ų10453.4 Ų53.449%0.48628%0.281SS..SBendtrans-75.5-47.8179.9-74.3178.4-170.300110.5K115 K191K115-E226 IonicContact NZ-OE1 2.7Å; K115-E226 IonicContact NZ-OE2 2.67Å; K115-E226 PolarHBondContact NZ-OE2 3.11Å; K191-E226 HydrophobicContact CB-CB 3.93Å; K191-E226 HydrophobicContact CB-CG 3.78Å; K191-E226 HydrophobicContact CG-CG 4.39Å; K191-E226 PolarHBondContact O-N 2.79Å
227N93.1Very high88.6Confident49 Ų4953.6 Ų53.626%0.26228%0.278SS..EExtended strand (participates in β ladder)trans-140.3121.5179.9-59133.8000110.3F111 P112 K191 N192 I193F111-N227 HydrophobicContact CD1-CB 3.65Å; F111-N227 HydrophobicContact CE1-CB 3.48Å; F111-N227 VanDerWaalsContact CE1-CB 3.48Å; P112-N227 WeakPolarHBondContact CD-OD1 3.33Å; K191-N227 PolarHBondContact O-N 3.01Å; N192-N227 CarbonylContact C-O 3.38Å; N192-N227 VanDerWaalsContact CA-O 3.31Å; N192-N227 WeakPolarHBondContact CA-O 3.46Å; N192-N227 PolarHBondContact OD1-OD1 2.89Å; N192-N227 VanDerWaalsContact OD1-OD1 3.12Å; I193-N227 PolarHBondContact N-O 3.13Å
228I93.8Very high89.5Confident30 Ų3053.2 Ų53.215%0.15429%0.285CS..EExtended strand (participates in β ladder)trans-124.3129.5168.4-169.6155.7000108.5I182 I193 L195 A216 A220 V225I182-I228 HydrophobicContact CD1-CD1 4.16Å; I182-I228 HydrophobicContact CG2-CD1 4.33Å; I193-I228 HydrophobicContact CB-CD1 4.46Å; I193-I228 HydrophobicContact CB-CG1 4.32Å; I193-I228 HydrophobicContact CG2-CD1 4.37Å; I193-I228 HydrophobicContact CG2-CG1 4.41Å; I193-I228 VanDerWaalsContact O-CA 3.32Å; I193-I228 WeakPolarHBondContact O-CA 3.21Å; L195-I228 HydrophobicContact CD1-CD1 4.11Å; L195-I228 HydrophobicContact CD1-CG1 4.19Å; L195-I228 HydrophobicContact CG-CD1 4.45Å; L195-I228 HydrophobicContact CG-CG1 4.32Å; A216-I228 HydrophobicContact CB-CG1 4.4Å; A216-I228 HydrophobicContact CB-CG2 3.82Å; A216-I228 WeakPolarHBondContact O-CG2 3.42Å; A220-I228 HydrophobicContact CB-CG2 3.67Å; V225-I228 HydrophobicContact CG1-CB 3.95Å
229R93.8Very high90.3Very high89 Ų8951.5 Ų51.534%0.33627%0.273SS..EExtended strand (participates in β ladder)trans-135.7156.9-179-54.2-169.275.288.211.9109.1E107 F111 I193 L194 L195E107-R229 HydrophobicContact CG-CB 3.98Å; E107-R229 IonicContact OE1-CZ 2.77Å; E107-R229 IonicContact OE1-NE 3.79Å; E107-R229 PolarHBondContact OE1-NE 3.46Å; E107-R229 IonicContact OE1-NH2 3.99Å; E107-R229 PolarHBondContact OE1-NH2 2.92Å; F111-R229 HydrophobicContact CD2-CG 4.36Å; F111-R229 HydrophobicContact CE1-CG 4.06Å; F111-R229 HydrophobicContact CE2-CB 3.8Å; F111-R229 HydrophobicContact CE2-CG 3.65Å; F111-R229 HydrophobicContact CZ-CB 3.74Å; F111-R229 HydrophobicContact CZ-CG 3.47Å; F111-R229 VanDerWaalsContact CZ-CG 3.47Å; I193-R229 PolarHBondContact O-N 3.47Å; L194-R229 CarbonylContact C-O 3.54Å; L194-R229 WeakPolarHBondContact CA-O 3.38Å; L194-R229 HydrophobicContact CD1-CB 4.27Å; L195-R229 PolarHBondContact N-O 3.39Å
230R94.1Very high91.2Very high38 Ų3850.4 Ų50.414%0.14327%0.268CS..EExtended strand (participates in β ladder)trans-116.8132.7173.5-176.5-177.560.998-12.9109.3L195 D203 L211 D212L195-R230 HydrophobicContact CB-CB 4.42Å; L195-R230 HydrophobicContact CB-CG 4.42Å; L195-R230 CarbonylContact O-C 3.47Å; L195-R230 WeakPolarHBondContact O-CA 3.34Å; D203-R230 IonicContact OD1-CZ 3.83Å; D203-R230 IonicContact OD1-NH1 3.11Å; D203-R230 PolarHBondContact OD1-NH1 3.13Å; D203-R230 IonicContact OD1-NH2 2.82Å; L211-R230 HydrophobicContact CD1-CG 4.26Å; D212-R230 VanDerWaalsContact CG-NE 3.32Å; D212-R230 WeakPolarHBondContact OD1-CD 3.37Å; D212-R230 IonicContact OD1-CZ 2.72Å; D212-R230 IonicContact OD1-NE 2.7Å; D212-R230 PolarHBondContact OD1-NE 3.21Å; D212-R230 IonicContact OD1-NH2 3.48Å; D212-R230 IonicContact OD2-CZ 3.88Å; D212-R230 IonicContact OD2-NE 3.68Å; D212-R230 PolarHBondContact OD2-NE 2.9Å; D212-R230 VanDerWaalsContact OD2-NE 3.16Å; D212-R230 IonicContact OD2-NH2 2.71Å; D212-R230 PolarHBondContact OD2-NH2 3.27Å
231A95Very high92.2Very high2 Ų251.1 Ų51.12%0.01727%0.27CS..PPolyproline II helixtrans-66.6137.4169.200000109.8L194 L195 V196L194-A231 HydrophobicContact CD1-CB 4.31Å; L195-A231 PolarHBondContact O-N 3.3Å; V196-A231 HydrophobicContact CG2-CB 4.21Å
232E93Very high92.9Very high112 Ų11248.7 Ų48.752%0.52326%0.257SS..PPolyproline II helixtrans-57.3142.2178.8-164-178.1161.400111.2H103H103-E232 PolarHBondContact ND1-O 3.47Å
233S92.9Very high93.5Very high2 Ų241.6 Ų41.61%0.01422%0.224CC..PPolyproline II helixtrans-65.2160.2170.3-65.20000110.9H103 D203 N235H103-S233 PolarHBondContact CE1-O 3.3Å; H103-S233 VanDerWaalsContact CE1-O 3.27Å; D203-S233 VanDerWaalsContact OD1-CB 3.23Å; D203-S233 WeakPolarHBondContact OD1-CB 3.43Å; D203-S233 PolarHBondContact OD1-OG 3.04Å; S233-N235 VanDerWaalsContact C-N 3.28Å; S233-N235 PolarHBondContact O-N 3.12Å
234L93.1Very high94.1Very high1 Ų140.7 Ų40.71%0.00522%0.218CC..SBendtrans-65.9-31.3-174.6-48.1-178.6000112.7L96 C99 F100 T201 G236 N237 F240L96-L234 HydrophobicContact CD1-CD1 3.51Å; C99-L234 HydrophobicContact CB-CD2 3.81Å; F100-L234 HydrophobicContact CD1-CD2 3.98Å; F100-L234 HydrophobicContact CE1-CD1 4.49Å; F100-L234 HydrophobicContact CE1-CD2 3.92Å; F100-L234 HydrophobicContact CE1-CG 4.32Å; F100-L234 HydrophobicContact CE2-CD1 4.41Å; F100-L234 HydrophobicContact CG-CD2 4.44Å; F100-L234 HydrophobicContact CZ-CD1 4.15Å; F100-L234 HydrophobicContact CZ-CD2 4.37Å; F100-L234 HydrophobicContact CZ-CG 4.44Å; T201-L234 HydrophobicContact CG2-CD1 3.92Å; T201-L234 CarbonylContact O-C 3.6Å; T201-L234 WeakPolarHBondContact O-CA 3.22Å; T201-L234 VanDerWaalsContact O-CB 3.27Å; T201-L234 WeakPolarHBondContact O-CB 3.24Å; T201-L234 PolarHBondContact O-N 3.29Å; T201-L234 VanDerWaalsContact O-N 3.16Å; L234-G236 PolarHBondContact O-N 3.15Å; L234-N237 WeakPolarHBondContact O-CB 3.34Å; L234-N237 PolarHBondContact O-N 3.44Å; L234-F240 HydrophobicContact CB-CB 4.29Å; L234-F240 HydrophobicContact CB-CD1 4.04Å; L234-F240 HydrophobicContact CB-CD2 4.14Å; L234-F240 HydrophobicContact CB-CE1 4.45Å; L234-F240 HydrophobicContact CB-CG 3.88Å; L234-F240 HydrophobicContact CD1-CD2 3.48Å; L234-F240 VanDerWaalsContact CD1-CD2 3.48Å; L234-F240 HydrophobicContact CD1-CE2 3.47Å; L234-F240 VanDerWaalsContact CD1-CE2 3.47Å; L234-F240 HydrophobicContact CD1-CG 4.11Å; L234-F240 HydrophobicContact CD1-CZ 4.09Å; L234-F240 HydrophobicContact CG-CD2 4.42Å
235N91.7Very high94.6Very high37 Ų3738.7 Ų38.720%0.19820%0.197CC..THydrogen-bonded Turntrans40.8-118.8165.5-69.5-24.2000113.3Q2 T201 S202 D203 S233Q2-N235 VanDerWaalsContact CG-O 3.31Å; Q2-N235 WeakPolarHBondContact CG-O 3.15Å; Q2-N235 PolarHBondContact NE2-O 2.66Å; T201-N235 PolarHBondContact O-N 3.14Å; S202-N235 WeakPolarHBondContact CA-OD1 3.39Å; D203-N235 PolarHBondContact N-OD1 3.07Å; D203-N235 PolarHBondContact OD2-ND2 3.22Å; S233-N235 VanDerWaalsContact C-N 3.28Å; S233-N235 PolarHBondContact O-N 3.12Å
236G90.9Very high95.1Very high27 Ų2740.4 Ų40.428%0.27821%0.206SC..THydrogen-bonded Turntrans-91.115.6-178.800000115.3L234 P238 M241L234-G236 PolarHBondContact O-N 3.15Å; G236-P238 VanDerWaalsContact O-CD 3.25Å; G236-P238 WeakPolarHBondContact O-CD 3.39Å; G236-M241 VanDerWaalsContact O-CE 3.29Å; G236-M241 WeakPolarHBondContact O-CE 3.4Å
237N93.4Very high95.4Very high27 Ų2736.5 Ų36.514%0.14419%0.188CC..  trans-59.7119.8-177.6-174-35.3000110.2H103 L234 L239 F240 M241H103-N237 PolarHBondContact NE2-ND2 3.34Å; L234-N237 WeakPolarHBondContact O-CB 3.34Å; L234-N237 PolarHBondContact O-N 3.44Å; N237-L239 PolarHBondContact O-N 3.31Å; N237-L239 WeakPolarHBondContact OD1-CA 3.19Å; N237-L239 WeakPolarHBondContact OD1-CB 3.21Å; N237-L239 PolarHBondContact OD1-N 3.28Å; N237-F240 HydrophobicContact CB-CB 4.09Å; N237-F240 WeakPolarHBondContact O-CA 3.37Å; N237-F240 WeakPolarHBondContact O-CB 3.26Å; N237-F240 PolarHBondContact O-N 3.36Å; N237-M241 PolarHBondContact O-N 3.38Å; N237-M241 VanDerWaalsContact O-N 3.16Å
238P96.3Very high95.6Very high99 Ų9934.7 Ų34.764%0.64318%0.179SC*.Hα-helixtrans-59.3-32178.9-25.735.6000113.7G236 F240 M241 K242G236-P238 VanDerWaalsContact O-CD 3.25Å; G236-P238 WeakPolarHBondContact O-CD 3.39Å; P238-F240 VanDerWaalsContact C-N 3.27Å; P238-F240 PolarHBondContact O-N 3.28Å; P238-M241 PolarHBondContact O-N 3Å; P238-K242 PolarHBondContact O-N 3.45Å
239L96.9Very high95.8Very high37 Ų3734.5 Ų34.519%0.19418%0.177CC..Hα-helixtrans-65.1-34.4174.6-171.462.4000111.4L95 E98 N237 K242 A243L95-L239 HydrophobicContact CD2-CD1 4.04Å; E98-L239 HydrophobicContact CB-CD2 3.97Å; E98-L239 HydrophobicContact CG-CD2 3.66Å; N237-L239 PolarHBondContact O-N 3.31Å; N237-L239 WeakPolarHBondContact OD1-CA 3.19Å; N237-L239 WeakPolarHBondContact OD1-CB 3.21Å; N237-L239 PolarHBondContact OD1-N 3.28Å; L239-K242 HydrophobicContact CD1-CD 4.48Å; L239-K242 WeakPolarHBondContact O-CB 3.48Å; L239-K242 PolarHBondContact O-N 3.22Å; L239-A243 PolarHBondContact O-N 3.11Å
240F97.4Very high96Very high0 Ų033 Ų330%018%0.18CC..Hα-helixtrans-69.6-40.5174.9-175.3-115.5000111.5Q2 W90 L96 C99 T201 L234 N237 P238 K242 A243 L244Q2-F240 HydrophobicContact CG-CD1 4.32Å; Q2-F240 HydrophobicContact CG-CE1 4.42Å; W90-F240 AromaticContact CH2-CE2 3.76Å; W90-F240 HydrophobicContact CH2-CE2 3.76Å; W90-F240 AromaticContact CH2-CZ 3.83Å; W90-F240 HydrophobicContact CH2-CZ 3.83Å; W90-F240 AromaticContact CZ3-CE2 3.91Å; W90-F240 HydrophobicContact CZ3-CE2 3.91Å; W90-F240 HydrophobicContact CZ3-CZ 4.44Å; L96-F240 HydrophobicContact CD1-CE2 4.23Å; C99-F240 PolarHBondContact SG-N 2.95Å; T201-F240 HydrophobicContact CG2-CE2 4.11Å; T201-F240 HydrophobicContact CG2-CZ 3.69Å; L234-F240 HydrophobicContact CB-CB 4.29Å; L234-F240 HydrophobicContact CB-CD1 4.04Å; L234-F240 HydrophobicContact CB-CD2 4.14Å; L234-F240 HydrophobicContact CB-CE1 4.45Å; L234-F240 HydrophobicContact CB-CG 3.88Å; L234-F240 HydrophobicContact CD1-CD2 3.48Å; L234-F240 VanDerWaalsContact CD1-CD2 3.48Å; L234-F240 HydrophobicContact CD1-CE2 3.47Å; L234-F240 VanDerWaalsContact CD1-CE2 3.47Å; L234-F240 HydrophobicContact CD1-CG 4.11Å; L234-F240 HydrophobicContact CD1-CZ 4.09Å; L234-F240 HydrophobicContact CG-CD2 4.42Å; N237-F240 HydrophobicContact CB-CB 4.09Å; N237-F240 WeakPolarHBondContact O-CA 3.37Å; N237-F240 WeakPolarHBondContact O-CB 3.26Å; N237-F240 PolarHBondContact O-N 3.36Å; P238-F240 VanDerWaalsContact C-N 3.27Å; P238-F240 PolarHBondContact O-N 3.28Å; F240-K242 PolarHBondContact O-N 3.16Å; F240-A243 HydrophobicContact CD2-CB 4.43Å; F240-A243 WeakPolarHBondContact O-CA 3.3Å; F240-A243 VanDerWaalsContact O-CB 3.25Å; F240-A243 WeakPolarHBondContact O-CB 3.35Å; F240-A243 PolarHBondContact O-N 3.29Å; F240-L244 HydrophobicContact CD1-CD1 4.45Å; F240-L244 HydrophobicContact CE1-CD1 4.06Å; F240-L244 HydrophobicContact CE1-CD2 4.32Å; F240-L244 HydrophobicContact CE1-CG 4.28Å; F240-L244 HydrophobicContact CE2-CD2 4.36Å; F240-L244 HydrophobicContact CZ-CD1 4.49Å; F240-L244 HydrophobicContact CZ-CD2 3.92Å; F240-L244 HydrophobicContact CZ-CG 4.3Å; F240-L244 WeakPolarHBondContact O-CG 3.48Å; F240-L244 PolarHBondContact O-N 3.49Å
241M97.4Very high96.2Very high22 Ų2232.1 Ų32.111%0.10818%0.178CC..Hα-helixtrans-60.1-38.5172.5-58.8177.9-163.300111.7M1 G236 N237 P238 L244 A245M1-M241 HydrophobicContact CG-CE 3.64Å; M1-M241 HydrophobicContact SD-CE 4.24Å; G236-M241 VanDerWaalsContact O-CE 3.29Å; G236-M241 WeakPolarHBondContact O-CE 3.4Å; N237-M241 PolarHBondContact O-N 3.38Å; N237-M241 VanDerWaalsContact O-N 3.16Å; P238-M241 PolarHBondContact O-N 3Å; M241-L244 PolarHBondContact O-N 3.29Å; M241-A245 PolarHBondContact O-N 3.44Å; M241-A245 VanDerWaalsContact O-N 3.1Å
242K97.9Very high96.3Very high114 Ų11433 Ų3350%0.49618%0.182SC..Hα-helixtrans-64.3-38.3172.3-172.6-178.8178.6-179.80112.1L9 L95 P238 L239 F240 A245 D246L9-K242 HydrophobicContact CD1-CB 4.17Å; L95-K242 HydrophobicContact CD1-CB 4.38Å; L95-K242 HydrophobicContact CD1-CD 4.2Å; L95-K242 HydrophobicContact CD1-CG 3.91Å; P238-K242 PolarHBondContact O-N 3.45Å; L239-K242 HydrophobicContact CD1-CD 4.48Å; L239-K242 WeakPolarHBondContact O-CB 3.48Å; L239-K242 PolarHBondContact O-N 3.22Å; F240-K242 PolarHBondContact O-N 3.16Å; K242-A245 PolarHBondContact O-N 3.12Å; K242-D246 VanDerWaalsContact O-CB 3.31Å; K242-D246 WeakPolarHBondContact O-CB 3.32Å; K242-D246 PolarHBondContact O-N 3.44Å
243A98.3Very high96.4Very high0 Ų034.4 Ų34.40%019%0.187CC..Hα-helixtrans-59.7-44.8174.100000112L95 L239 F240 D246 L247L95-A243 HydrophobicContact CB-CB 3.55Å; L95-A243 HydrophobicContact CD1-CB 4.38Å; L239-A243 PolarHBondContact O-N 3.11Å; F240-A243 HydrophobicContact CD2-CB 4.43Å; F240-A243 WeakPolarHBondContact O-CA 3.3Å; F240-A243 VanDerWaalsContact O-CB 3.25Å; F240-A243 WeakPolarHBondContact O-CB 3.35Å; F240-A243 PolarHBondContact O-N 3.29Å; A243-D246 PolarHBondContact O-N 3.39Å; A243-L247 WeakPolarHBondContact O-CB 3.33Å; A243-L247 WeakPolarHBondContact O-CG 3.44Å; A243-L247 PolarHBondContact O-N 3.07Å
244L98.4Very high96.5Very high3 Ų337 Ų372%0.01621%0.205CC..Hα-helixtrans-62-44.6177.2-61.6179000111.7Q2 M6 F51 W90 F240 M241 L247 V248Q2-L244 HydrophobicContact CB-CD1 4.13Å; M6-L244 HydrophobicContact CB-CB 4.14Å; M6-L244 HydrophobicContact CG-CB 3.86Å; M6-L244 HydrophobicContact SD-CB 3.83Å; F51-L244 HydrophobicContact CE1-CB 4.06Å; F51-L244 HydrophobicContact CE1-CD2 3.79Å; F51-L244 HydrophobicContact CZ-CB 4.49Å; F51-L244 HydrophobicContact CZ-CD2 3.61Å; W90-L244 HydrophobicContact CH2-CD2 4.34Å; F240-L244 HydrophobicContact CD1-CD1 4.45Å; F240-L244 HydrophobicContact CE1-CD1 4.06Å; F240-L244 HydrophobicContact CE1-CD2 4.32Å; F240-L244 HydrophobicContact CE1-CG 4.28Å; F240-L244 HydrophobicContact CE2-CD2 4.36Å; F240-L244 HydrophobicContact CZ-CD1 4.49Å; F240-L244 HydrophobicContact CZ-CD2 3.92Å; F240-L244 HydrophobicContact CZ-CG 4.3Å; F240-L244 WeakPolarHBondContact O-CG 3.48Å; F240-L244 PolarHBondContact O-N 3.49Å; M241-L244 PolarHBondContact O-N 3.29Å; L244-L247 PolarHBondContact O-N 3.08Å; L244-V248 WeakPolarHBondContact O-CG2 3.19Å; L244-V248 PolarHBondContact O-N 3.11Å; L244-V248 VanDerWaalsContact O-N 3.13Å
245A98.4Very high96.4Very high0 Ų040.8 Ų40.80%023%0.225CC..Hα-helixtrans-65.8-41.7177.600000112.2M6 L9 L10 L13 M241 K242 L247 V248 Q249M6-A245 HydrophobicContact CG-CB 4.32Å; L9-A245 HydrophobicContact CB-CB 3.69Å; L9-A245 HydrophobicContact CD1-CB 4.21Å; L10-A245 HydrophobicContact CD2-CB 4.26Å; L10-A245 VanDerWaalsContact CD2-O 3.31Å; L10-A245 WeakPolarHBondContact CD2-O 3.38Å; L10-A245 HydrophobicContact CG-CB 4.03Å; L13-A245 HydrophobicContact CD1-CB 4.09Å; M241-A245 PolarHBondContact O-N 3.44Å; M241-A245 VanDerWaalsContact O-N 3.1Å; K242-A245 PolarHBondContact O-N 3.12Å; A245-L247 PolarHBondContact O-N 3.29Å; A245-V248 PolarHBondContact O-N 3.01Å; A245-Q249 WeakPolarHBondContact O-CB 3.36Å; A245-Q249 PolarHBondContact O-N 2.8Å
246D98.5Very high96.5Very high56 Ų5644.4 Ų44.430%0.29924%0.241SC..Hα-helixtrans-62.8-40.8177.2-176.782000112.4H93 L95 K242 A243 S250H93-D246 IonicContact CD2-OD2 3.38Å; H93-D246 IonicContact CE1-OD2 3.59Å; H93-D246 PolarHBondContact CE1-OD2 3.34Å; H93-D246 IonicContact NE2-OD2 3.66Å; H93-D246 PolarHBondContact NE2-OD2 3.39Å; L95-D246 HydrophobicContact CD1-CB 4.28Å; K242-D246 VanDerWaalsContact O-CB 3.31Å; K242-D246 WeakPolarHBondContact O-CB 3.32Å; K242-D246 PolarHBondContact O-N 3.44Å; A243-D246 PolarHBondContact O-N 3.39Å; D246-S250 VanDerWaalsContact O-CB 3.26Å; D246-S250 WeakPolarHBondContact O-CB 3.29Å; D246-S250 PolarHBondContact O-N 2.64Å; D246-S250 PolarHBondContact O-OG 2.9Å
247L98.6Very high96.7Very high22 Ų2244.5 Ų44.512%0.11524%0.236CC..Hα-helixtrans-60.4-49.5174.1-81.3164000111.9F51 W90 H93 A243 L244 A245 S250 H251F51-L247 HydrophobicContact CE2-CB 4.49Å; F51-L247 HydrophobicContact CE2-CD1 4.12Å; F51-L247 HydrophobicContact CZ-CB 3.91Å; F51-L247 HydrophobicContact CZ-CD1 3.71Å; F51-L247 HydrophobicContact CZ-CG 4.44Å; W90-L247 HydrophobicContact CB-CD1 3.92Å; W90-L247 HydrophobicContact CB-CD2 3.66Å; W90-L247 HydrophobicContact CB-CG 4.49Å; W90-L247 HydrophobicContact CD2-CD1 3.69Å; W90-L247 HydrophobicContact CE3-CD1 3.69Å; W90-L247 HydrophobicContact CG-CD1 3.8Å; W90-L247 HydrophobicContact CG-CD2 4.35Å; W90-L247 HydrophobicContact CZ3-CD1 4.36Å; H93-L247 HydrophobicContact CB-CD2 4.41Å; H93-L247 WeakPolarHBondContact CD2-CD2 3.33Å; H93-L247 VanDerWaalsContact CD2-CG 3.49Å; H93-L247 WeakPolarHBondContact CD2-CG 3.25Å; A243-L247 WeakPolarHBondContact O-CB 3.33Å; A243-L247 WeakPolarHBondContact O-CG 3.44Å; A243-L247 PolarHBondContact O-N 3.07Å; L244-L247 PolarHBondContact O-N 3.08Å; A245-L247 PolarHBondContact O-N 3.29Å; L247-S250 PolarHBondContact O-N 2.89Å; L247-H251 VanDerWaalsContact O-CB 3.31Å; L247-H251 WeakPolarHBondContact O-CB 3.39Å; L247-H251 PolarHBondContact O-N 3.05Å
248V98.4Very high97Very high11 Ų1143.9 Ų43.97%0.06723%0.234CC..Hα-helixtrans-67.2-42.5-179.9174.50000111.2M6 L10 F51 I87 L244 A245 S250 H251 L252M6-V248 HydrophobicContact SD-CG2 4.1Å; L10-V248 HydrophobicContact CD1-CB 3.87Å; L10-V248 HydrophobicContact CD1-CG1 3.65Å; L10-V248 HydrophobicContact CD1-CG2 4.37Å; L10-V248 HydrophobicContact CD2-CB 3.89Å; L10-V248 HydrophobicContact CD2-CG1 3.87Å; L10-V248 HydrophobicContact CG-CB 4.49Å; L10-V248 HydrophobicContact CG-CG1 4.43Å; F51-V248 HydrophobicContact CD1-CG2 3.5Å; F51-V248 VanDerWaalsContact CD1-CG2 3.5Å; F51-V248 HydrophobicContact CE1-CG2 3.63Å; F51-V248 HydrophobicContact CG-CG2 4.37Å; I87-V248 HydrophobicContact CD1-CB 4.41Å; I87-V248 HydrophobicContact CD1-CG2 3.84Å; L244-V248 WeakPolarHBondContact O-CG2 3.19Å; L244-V248 PolarHBondContact O-N 3.11Å; L244-V248 VanDerWaalsContact O-N 3.13Å; A245-V248 PolarHBondContact O-N 3.01Å; V248-S250 PolarHBondContact O-N 3.14Å; V248-H251 PolarHBondContact O-N 3.23Å; V248-L252 HydrophobicContact CG1-CD1 3.94Å; V248-L252 HydrophobicContact CG1-CG 4.24Å; V248-L252 VanDerWaalsContact O-CG 3.27Å; V248-L252 WeakPolarHBondContact O-CG 3.47Å; V248-L252 PolarHBondContact O-N 3.42Å
249Q98Very high97Very high25 Ų2540.5 Ų40.512%0.11721%0.213CC..Hα-helixtrans-59.9-46.5176.1-168.8-156.649.800111.4L10 L13 A245 H251 L252 K253L10-Q249 HydrophobicContact CD2-CB 4.26Å; L13-Q249 HydrophobicContact CB-CG 4.33Å; L13-Q249 PolarHBondContact O-NE2 3.38Å; A245-Q249 WeakPolarHBondContact O-CB 3.36Å; A245-Q249 PolarHBondContact O-N 2.8Å; Q249-H251 VanDerWaalsContact C-N 3.32Å; Q249-H251 PolarHBondContact O-N 2.8Å; Q249-L252 PolarHBondContact O-N 3.05Å; Q249-K253 VanDerWaalsContact CD-NZ 3.27Å; Q249-K253 HydrophobicContact CG-CD 4.33Å; Q249-K253 VanDerWaalsContact NE2-NZ 3.1Å; Q249-K253 WeakPolarHBondContact O-CG 3.33Å; Q249-K253 PolarHBondContact O-N 3.15Å
250S98.1Very high97.1Very high59 Ų5949.3 Ų49.341%0.41324%0.243SC..Hα-helixtrans-61.7-41.9178.5-64.60000111.7D246 L247 V248 K253 S254D246-S250 VanDerWaalsContact O-CB 3.26Å; D246-S250 WeakPolarHBondContact O-CB 3.29Å; D246-S250 PolarHBondContact O-N 2.64Å; D246-S250 PolarHBondContact O-OG 2.9Å; L247-S250 PolarHBondContact O-N 2.89Å; V248-S250 PolarHBondContact O-N 3.14Å; S250-K253 PolarHBondContact O-N 3.24Å; S250-S254 WeakPolarHBondContact O-CB 3.4Å; S250-S254 PolarHBondContact O-N 3.35Å
251H97.9Very high97.1Very high19 Ų1954.1 Ų54.19%0.08827%0.266CS..Hα-helixtrans-63.9-44.3176.2178.576.9000112.8S85 V86 I87 L247 V248 Q249 K253 S254 N255 E256S85-H251 VanDerWaalsContact CB-NE2 3.28Å; S85-H251 WeakPolarHBondContact CB-NE2 3.35Å; S85-H251 PolarHBondContact OG-NE2 3.08Å; V86-H251 PolarHBondContact O-CE1 3.41Å; I87-H251 HydrophobicContact CD1-CB 3.65Å; I87-H251 HydrophobicContact CG1-CB 3.69Å; I87-H251 VanDerWaalsContact CG1-CG 3.45Å; L247-H251 VanDerWaalsContact O-CB 3.31Å; L247-H251 WeakPolarHBondContact O-CB 3.39Å; L247-H251 PolarHBondContact O-N 3.05Å; V248-H251 PolarHBondContact O-N 3.23Å; Q249-H251 VanDerWaalsContact C-N 3.32Å; Q249-H251 PolarHBondContact O-N 2.8Å; H251-K253 VanDerWaalsContact C-N 3.29Å; H251-K253 PolarHBondContact O-N 2.99Å; H251-S254 PolarHBondContact O-N 2.81Å; H251-S254 PolarHBondContact O-OG 2.68Å; H251-N255 PolarHBondContact O-N 2.57Å; H251-E256 PolarHBondContact CE1-O 3.31Å
252L95.8Very high97.1Very high21 Ų2153.3 Ų53.311%0.1126%0.262CS..Hα-helixtrans-63-37.9177.2-69.2174000111.7T17 V49 V248 Q249T17-L252 HydrophobicContact CG2-CD1 4.49Å; V49-L252 HydrophobicContact CG2-CD2 4.16Å; V248-L252 HydrophobicContact CG1-CD1 3.94Å; V248-L252 HydrophobicContact CG1-CG 4.24Å; V248-L252 VanDerWaalsContact O-CG 3.27Å; V248-L252 WeakPolarHBondContact O-CG 3.47Å; V248-L252 PolarHBondContact O-N 3.42Å; Q249-L252 PolarHBondContact O-N 3.05Å
253K95.8Very high97.1Very high141 Ų14152.1 Ų52.161%0.61326%0.264SS*.Hα-helixtrans-73.2-35.2177.1-73.5176.5179.5171.90113.7Q249 S250 H251 N255Q249-K253 VanDerWaalsContact CD-NZ 3.27Å; Q249-K253 HydrophobicContact CG-CD 4.33Å; Q249-K253 VanDerWaalsContact NE2-NZ 3.1Å; Q249-K253 WeakPolarHBondContact O-CG 3.33Å; Q249-K253 PolarHBondContact O-N 3.15Å; S250-K253 PolarHBondContact O-N 3.24Å; H251-K253 VanDerWaalsContact C-N 3.29Å; H251-K253 PolarHBondContact O-N 2.99Å; K253-N255 PolarHBondContact O-N 3.38Å
254S94.9Very high97.1Very high57 Ų5757.5 Ų57.540%0.39929%0.293SS..Hα-helixtrans-68.4-26.7-177.572.30000112.5S250 H251 E256S250-S254 WeakPolarHBondContact O-CB 3.4Å; S250-S254 PolarHBondContact O-N 3.35Å; H251-S254 PolarHBondContact O-N 2.81Å; H251-S254 PolarHBondContact O-OG 2.68Å; S254-E256 PolarHBondContact O-N 2.82Å; S254-E256 PolarHBondContact OG-N 3.2Å
255N91.3Very high97Very high79 Ų7963.1 Ų63.142%0.42231%0.313SS..THydrogen-bonded Turntrans54.533.9-174.2-155.451.5000112.1H251 K253 L286H251-N255 PolarHBondContact O-N 2.57Å; K253-N255 PolarHBondContact O-N 3.38Å; N255-L286 WeakPolarHBondContact O-CD1 3.46Å; N255-L286 WeakPolarHBondContact OD1-CB 3.32Å
256E94Very high96.9Very high114 Ų11463.7 Ų63.753%0.53332%0.318SS..  trans-97.4131.9171.4-65.3-173.616400109.7H251 S254 C258H251-E256 PolarHBondContact CE1-O 3.31Å; S254-E256 PolarHBondContact O-N 2.82Å; S254-E256 PolarHBondContact OG-N 3.2Å; E256-C258 VanDerWaalsContact C-N 3.33Å; E256-C258 PolarHBondContact O-N 2.9Å
257P96.1Very high96.9Very high29 Ų2966.4 Ų66.419%0.18834%0.338CS..SBendtrans-77.1-22.2-176.429.9-35.2000112.9S85 V86 F281 Q284 L286S85-P257 CarbonylContact C-O 3.58Å; S85-P257 WeakPolarHBondContact CA-O 3.48Å; V86-P257 WeakPolarHBondContact CG1-O 3.06Å; V86-P257 PolarHBondContact N-O 2.92Å; P257-F281 WeakPolarHBondContact CB-O 3.47Å; P257-Q284 HydrophobicContact CB-CB 4.36Å; P257-L286 HydrophobicContact CB-CD1 4.12Å; P257-L286 HydrophobicContact CB-CD2 4.49Å; P257-L286 HydrophobicContact CB-CG 4.42Å
258C97.7Very high96.9Very high14 Ų1470.9 Ų70.910%0.09536%0.362CS..SBendtrans-162.6166178.262.50000111V86 E256 L262 F281V86-C258 HydrophobicContact CG1-CB 3.41Å; V86-C258 VanDerWaalsContact CG1-CB 3.41Å; E256-C258 VanDerWaalsContact C-N 3.33Å; E256-C258 PolarHBondContact O-N 2.9Å; C258-L262 HydrophobicContact CB-CB 4.1Å; C258-L262 HydrophobicContact CB-CD2 3.47Å; C258-L262 VanDerWaalsContact CB-CD2 3.47Å; C258-L262 HydrophobicContact CB-CG 4.37Å; C258-F281 HydrophobicContact CB-CB 4.38Å
259S97.9Very high96.9Very high28 Ų2872 Ų7220%0.19637%0.369CS..  trans-64.5154.5171.976.90000112.3D88 R89 Q261 L262D88-S259 WeakPolarHBondContact OD1-CB 3.18Å; D88-S259 PolarHBondContact OD1-N 3.23Å; D88-S259 PolarHBondContact OD1-OG 3.49Å; D88-S259 PolarHBondContact OD2-OG 3.4Å; R89-S259 PolarHBondContact NE-OG 3.44Å; S259-Q261 PolarHBondContact O-N 3.12Å; S259-Q261 PolarHBondContact OG-N 3.08Å; S259-L262 WeakPolarHBondContact O-CB 3.47Å; S259-L262 PolarHBondContact O-N 3.33Å; S259-L262 PolarHBondContact OG-N 2.88Å
260R97.8Very high96.8Very high221 Ų22176.8 Ų76.883%0.83440%0.401SS*.THydrogen-bonded Turntrans-59.4-30.1172.2-172.7173.3-179.3176.60.6113L262 T263R260-L262 VanDerWaalsContact C-N 3.32Å; R260-T263 PolarHBondContact O-N 3.4Å; R260-T263 PolarHBondContact O-OG1 2.95Å
261Q98.3Very high96.7Very high102 Ų10276.5 Ų76.548%0.47739%0.394SS..THydrogen-bonded Turntrans-70.9-29.2176.8-78.3-66.1-34.500112.2S259 T263 L264S259-Q261 PolarHBondContact O-N 3.12Å; S259-Q261 PolarHBondContact OG-N 3.08Å; Q261-T263 PolarHBondContact O-N 3.11Å; Q261-L264 PolarHBondContact O-N 2.81Å; Q261-L264 VanDerWaalsContact O-N 3.08Å
262L98Very high96.5Very high4 Ų480 Ų802%0.02142%0.419CS..THydrogen-bonded Turntrans-62.7-27.8176.8-166.765000111.8Y57 L66 V86 D88 C258 S259 R260 L264 K278 F281Y57-L262 HydrophobicContact CE2-CD1 3.88Å; L66-L262 HydrophobicContact CD1-CD1 3.99Å; L66-L262 HydrophobicContact CD1-CD2 4.34Å; V86-L262 HydrophobicContact CG1-CD2 3.56Å; D88-L262 HydrophobicContact CB-CD1 4.27Å; D88-L262 HydrophobicContact CB-CD2 4.34Å; C258-L262 HydrophobicContact CB-CB 4.1Å; C258-L262 HydrophobicContact CB-CD2 3.47Å; C258-L262 VanDerWaalsContact CB-CD2 3.47Å; C258-L262 HydrophobicContact CB-CG 4.37Å; S259-L262 WeakPolarHBondContact O-CB 3.47Å; S259-L262 PolarHBondContact O-N 3.33Å; S259-L262 PolarHBondContact OG-N 2.88Å; R260-L262 VanDerWaalsContact C-N 3.32Å; L262-L264 PolarHBondContact O-N 3.35Å; L262-K278 HydrophobicContact CD1-CG 4.48Å; L262-K278 HydrophobicContact CG-CG 4.33Å; L262-K278 WeakPolarHBondContact O-CD 3.3Å; L262-K278 WeakPolarHBondContact O-CE 3.43Å; L262-K278 WeakPolarHBondContact O-CG 3.5Å; L262-F281 HydrophobicContact CD2-CB 4.25Å
263T96.8Very high96.5Very high89 Ų8979.8 Ų79.855%0.54642%0.418SS..THydrogen-bonded Turntrans-71-11.8178.671.80000113.1R260 Q261R260-T263 PolarHBondContact O-N 3.4Å; R260-T263 PolarHBondContact O-OG1 2.95Å; Q261-T263 PolarHBondContact O-N 3.11Å
264L97.6Very high96.5Very high114 Ų11473.5 Ų73.560%0.59739%0.392SS*.SBendtrans-102.7126.7178.5-17560.8000110.7Q261 L262 K278Q261-L264 PolarHBondContact O-N 2.81Å; Q261-L264 VanDerWaalsContact O-N 3.08Å; L262-L264 PolarHBondContact O-N 3.35Å; L264-K278 VanDerWaalsContact C-CE 3.49Å; L264-K278 WeakPolarHBondContact O-CE 3.3Å
265R96.3Very high96.5Very high120 Ų12071.8 Ų71.845%0.45338%0.383SS..PPolyproline II helixtrans-82.5156.3169.4-71-171.5-67.7-178.11.4110.3C269 K278R265-C269 HydrophobicContact CB-CB 4.19Å; R265-K278 HydrophobicContact CG-CD 3.54Å; R265-K278 VanDerWaalsContact CG-CE 3.45Å
266C98.3Very high96.8Very high13 Ų1372.4 Ų72.49%0.08838%0.384CS..PPolyproline II helixtrans-48.8133.2163.7-57.20000109.1C59 R135 G136 L268 C269C59-C266 PolarHBondContact SG-SG 3.41Å; R135-C266 WeakPolarHBondContact O-CB 3.5Å; G136-C266 PolarHBondContact O-SG 3.43Å; C266-L268 PolarHBondContact O-N 3.42Å; C266-L268 VanDerWaalsContact O-N 3.1Å; C266-C269 HydrophobicContact CB-CB 4.1Å; C266-C269 WeakPolarHBondContact O-CB 3.17Å; C266-C269 PolarHBondContact O-N 3.23Å
267P98.3Very high97Very high112 Ų11267.2 Ų67.273%0.72736%0.359SS*.THydrogen-bonded Turntrans-52.7-33.8-176.6-30.936.2000114.5
268L98.1Very high96.9Very high117 Ų11766.7 Ų66.761%0.61335%0.354SS*.THydrogen-bonded Turntrans-110.733.8178.8-53.4176.1000112.1R135 C266 T270R135-L268 HydrophobicContact CB-CB 4Å; R135-L268 PolarHBondContact O-N 2.87Å; R135-L268 VanDerWaalsContact O-N 3.16Å; C266-L268 PolarHBondContact O-N 3.42Å; C266-L268 VanDerWaalsContact O-N 3.1Å; L268-T270 PolarHBondContact O-N 3.48Å
269C97.6Very high96.8Very high33 Ų3368.8 Ų68.822%0.22337%0.372CS..  trans-66.1119.2179.1-179.40000112R265 C266R265-C269 HydrophobicContact CB-CB 4.19Å; C266-C269 HydrophobicContact CB-CB 4.1Å; C266-C269 WeakPolarHBondContact O-CB 3.17Å; C266-C269 PolarHBondContact O-N 3.23Å
270T96.3Very high96.7Very high127 Ų12768.5 Ų68.578%0.77937%0.368SS*.  trans-99.6-9.3176.155.70000114.3L268 P272L268-T270 PolarHBondContact O-N 3.48Å; T270-P272 WeakPolarHBondContact O-CD 3.28Å
271N96.2Very high96.6Very high52 Ų5258 Ų5828%0.27833%0.328SS..  trans-84.6114.6179.3-179.2-7.7000110.7T273 C274N271-T273 VanDerWaalsContact C-N 3.28Å; N271-T273 PolarHBondContact O-N 3.36Å; N271-T273 WeakPolarHBondContact OD1-CB 3.37Å; N271-T273 PolarHBondContact OD1-N 3.37Å; N271-T273 PolarHBondContact OD1-OG1 3.2Å; N271-C274 WeakPolarHBondContact O-CB 3.4Å; N271-C274 PolarHBondContact O-N 2.91Å
272P93Very high96.4Very high94 Ų9455.5 Ų55.561%0.6133%0.325SS*.THydrogen-bonded Turntrans-64.9-32.4-177.825.9-34000112.6T270 C274 G275T270-P272 WeakPolarHBondContact O-CD 3.28Å; P272-C274 PolarHBondContact O-N 3.32Å; P272-C274 VanDerWaalsContact O-N 3.15Å; P272-G275 PolarHBondContact O-N 3.46Å; P272-G275 VanDerWaalsContact O-N 3.12Å
273T96.4Very high96.1Very high15 Ų1559.3 Ų59.39%0.09235%0.352CS..Hα-helixtrans-54.7-36.8177.9-36.80000111.1N67 Y70 R71 N271 G275 Q276 T277N67-T273 HydrophobicContact CB-CG2 4.02Å; Y70-T273 HydrophobicContact CD1-CG2 3.67Å; Y70-T273 HydrophobicContact CE1-CG2 4.06Å; R71-T273 HydrophobicContact CG-CG2 4.23Å; R71-T273 PolarHBondContact NH2-OG1 2.94Å; R71-T273 VanDerWaalsContact NH2-OG1 3.13Å; N271-T273 VanDerWaalsContact C-N 3.28Å; N271-T273 PolarHBondContact O-N 3.36Å; N271-T273 WeakPolarHBondContact OD1-CB 3.37Å; N271-T273 PolarHBondContact OD1-N 3.37Å; N271-T273 PolarHBondContact OD1-OG1 3.2Å; T273-G275 PolarHBondContact O-N 3.06Å; T273-G275 VanDerWaalsContact O-N 3.16Å; T273-Q276 PolarHBondContact O-N 3.13Å; T273-Q276 VanDerWaalsContact O-N 3.08Å; T273-T277 PolarHBondContact O-N 3.34Å; T273-T277 PolarHBondContact O-OG1 3.11Å; T273-T277 VanDerWaalsContact O-OG1 3.05Å
274C96.4Very high95.7Very high10 Ų1057 Ų577%0.06834%0.335CS..Hα-helixtrans-61.4-28-176.8-69.40000113.7N271 P272 K278N271-C274 WeakPolarHBondContact O-CB 3.4Å; N271-C274 PolarHBondContact O-N 2.91Å; P272-C274 PolarHBondContact O-N 3.32Å; P272-C274 VanDerWaalsContact O-N 3.15Å; C274-K278 VanDerWaalsContact O-CD 3.26Å; C274-K278 WeakPolarHBondContact O-CD 3.19Å; C274-K278 WeakPolarHBondContact O-CG 3.46Å; C274-K278 PolarHBondContact O-NZ 2.92Å
275G94.9Very high94.7Very high20 Ų2059.7 Ų59.721%0.20634%0.342CS..Hα-helixtrans-77.9-41.5175.200000111.5P272 T273 K278 A279P272-G275 PolarHBondContact O-N 3.46Å; P272-G275 VanDerWaalsContact O-N 3.12Å; T273-G275 PolarHBondContact O-N 3.06Å; T273-G275 VanDerWaalsContact O-N 3.16Å; G275-K278 PolarHBondContact O-N 3.31Å; G275-A279 PolarHBondContact O-N 3.33Å; G275-A279 VanDerWaalsContact O-N 3.07Å
276Q96.8Very high93.8Very high93 Ų9354.5 Ų54.544%0.43532%0.323SS..Hα-helixtrans-67.7-44-178.5-60174.1-40.400111.9Y70 T273 K278 A279 F280Y70-Q276 HydrophobicContact CD1-CB 4.28Å; Y70-Q276 HydrophobicContact CD2-CB 4.43Å; Y70-Q276 HydrophobicContact CE1-CB 3.6Å; Y70-Q276 HydrophobicContact CE1-CG 4.4Å; Y70-Q276 VanDerWaalsContact CE1-OE1 3.24Å; Y70-Q276 HydrophobicContact CE2-CB 3.78Å; Y70-Q276 WeakPolarHBondContact OH-CB 3.2Å; Y70-Q276 PolarHBondContact OH-NE2 3.28Å; Y70-Q276 PolarHBondContact OH-OE1 2.97Å; Y70-Q276 VanDerWaalsContact OH-OE1 3.06Å; T273-Q276 PolarHBondContact O-N 3.13Å; T273-Q276 VanDerWaalsContact O-N 3.08Å; Q276-K278 VanDerWaalsContact C-N 3.3Å; Q276-K278 PolarHBondContact O-N 3.22Å; Q276-A279 PolarHBondContact O-N 2.98Å; Q276-F280 WeakPolarHBondContact O-CB 3.43Å; Q276-F280 PolarHBondContact O-N 3.42Å
277T97.4Very high92.1Very high4 Ų460.8 Ų60.83%0.02537%0.367CS..Hα-helixtrans-59.4-40.1175.2-56.50000112.2L66 N67 Y70 T273 F280 F281L66-T277 HydrophobicContact CB-CG2 3.69Å; L66-T277 WeakPolarHBondContact O-CG2 3.49Å; N67-T277 VanDerWaalsContact OD1-CB 3.32Å; N67-T277 WeakPolarHBondContact OD1-CB 3.45Å; N67-T277 PolarHBondContact OD1-OG1 3.1Å; Y70-T277 WeakPolarHBondContact CB-OG1 3.4Å; T273-T277 PolarHBondContact O-N 3.34Å; T273-T277 PolarHBondContact O-OG1 3.11Å; T273-T277 VanDerWaalsContact O-OG1 3.05Å; T277-F280 WeakPolarHBondContact O-CB 3.49Å; T277-F280 PolarHBondContact O-N 2.91Å; T277-F281 HydrophobicContact CG2-CD2 4.22Å; T277-F281 HydrophobicContact CG2-CE2 4.12Å; T277-F281 WeakPolarHBondContact O-CD2 3.28Å; T277-F281 PolarHBondContact O-N 3.05Å
278K95.4Very high91.8Very high19 Ų1958.2 Ų58.28%0.08335%0.349CS..Hα-helixtrans-65.2-45.8176.8-69.7174.2170.558.60111.3L262 L264 R265 C274 G275 Q276 F280 F281 A282L262-K278 HydrophobicContact CD1-CG 4.48Å; L262-K278 HydrophobicContact CG-CG 4.33Å; L262-K278 WeakPolarHBondContact O-CD 3.3Å; L262-K278 WeakPolarHBondContact O-CE 3.43Å; L262-K278 WeakPolarHBondContact O-CG 3.5Å; L264-K278 VanDerWaalsContact C-CE 3.49Å; L264-K278 WeakPolarHBondContact O-CE 3.3Å; R265-K278 HydrophobicContact CG-CD 3.54Å; R265-K278 VanDerWaalsContact CG-CE 3.45Å; C274-K278 VanDerWaalsContact O-CD 3.26Å; C274-K278 WeakPolarHBondContact O-CD 3.19Å; C274-K278 WeakPolarHBondContact O-CG 3.46Å; C274-K278 PolarHBondContact O-NZ 2.92Å; G275-K278 PolarHBondContact O-N 3.31Å; Q276-K278 VanDerWaalsContact C-N 3.3Å; Q276-K278 PolarHBondContact O-N 3.22Å; K278-F280 VanDerWaalsContact C-N 3.29Å; K278-F280 PolarHBondContact O-N 2.78Å; K278-F281 PolarHBondContact O-N 3.23Å; K278-A282 VanDerWaalsContact O-CB 3.24Å; K278-A282 WeakPolarHBondContact O-CB 3.43Å; K278-A282 PolarHBondContact O-N 3.43Å
279A95.3Very high91.5Very high57 Ų5755.1 Ų55.147%0.47134%0.335SS..Hα-helixtrans-61.8-38.3175.400000111.8G275 Q276 F281 S283G275-A279 PolarHBondContact O-N 3.33Å; G275-A279 VanDerWaalsContact O-N 3.07Å; Q276-A279 PolarHBondContact O-N 2.98Å; A279-F281 PolarHBondContact O-N 3.34Å; A279-S283 WeakPolarHBondContact O-CB 3.35Å; A279-S283 PolarHBondContact O-N 3.33Å; A279-S283 PolarHBondContact O-OG 2.89Å
280F96Very high91.1Very high23 Ų2356.3 Ų56.310%0.10134%0.341CS..Hα-helixtrans-55.7-51.1176.4171.1-93.7000111.6I69 Y70 Y73 P80 W84 Q276 T277 K278 S283 Q284I69-F280 HydrophobicContact CG2-CE1 4.2Å; Y70-F280 HydrophobicContact CD2-CB 3.89Å; Y70-F280 HydrophobicContact CD2-CD2 4.32Å; Y70-F280 HydrophobicContact CD2-CG 4.22Å; Y73-F280 HydrophobicContact CD2-CE2 4.17Å; Y73-F280 HydrophobicContact CD2-CZ 4.03Å; Y73-F280 HydrophobicContact CE2-CZ 4.33Å; P80-F280 HydrophobicContact CG-CE2 3.59Å; P80-F280 HydrophobicContact CG-CZ 3.81Å; W84-F280 HydrophobicContact CB-CE1 4.14Å; W84-F280 HydrophobicContact CB-CZ 4.33Å; W84-F280 AromaticContact CD1-CZ 3.8Å; W84-F280 HydrophobicContact CG-CE1 4.09Å; W84-F280 HydrophobicContact CG-CZ 4.02Å; Q276-F280 WeakPolarHBondContact O-CB 3.43Å; Q276-F280 PolarHBondContact O-N 3.42Å; T277-F280 WeakPolarHBondContact O-CB 3.49Å; T277-F280 PolarHBondContact O-N 2.91Å; K278-F280 VanDerWaalsContact C-N 3.29Å; K278-F280 PolarHBondContact O-N 2.78Å; F280-S283 PolarHBondContact O-OG 3.43Å; F280-Q284 VanDerWaalsContact O-CG 3.3Å; F280-Q284 WeakPolarHBondContact O-CG 3.3Å; F280-Q284 PolarHBondContact O-NE2 3.41Å
281F96Very high90.8Very high0 Ų052.2 Ų52.20%032%0.316CS..Hα-helixtrans-73.9-45.9178.4-74.8-73.9000112.5A50 L66 I69 W84 V86 P257 C258 L262 T277 K278 A279 S283 Q284A50-F281 HydrophobicContact CB-CE1 4.11Å; A50-F281 HydrophobicContact CB-CZ 4.09Å; L66-F281 HydrophobicContact CB-CE2 4.1Å; L66-F281 HydrophobicContact CD2-CE2 3.89Å; L66-F281 HydrophobicContact CD2-CZ 3.96Å; L66-F281 HydrophobicContact CG-CE2 4.39Å; I69-F281 HydrophobicContact CD1-CZ 4.13Å; I69-F281 HydrophobicContact CG2-CZ 4.32Å; W84-F281 HydrophobicContact CB-CD1 4.37Å; W84-F281 HydrophobicContact CB-CE1 4.11Å; W84-F281 HydrophobicContact CE3-CE1 4.13Å; V86-F281 HydrophobicContact CB-CD1 3.77Å; V86-F281 HydrophobicContact CB-CE1 3.82Å; V86-F281 HydrophobicContact CB-CG 4.23Å; V86-F281 HydrophobicContact CB-CZ 4.33Å; V86-F281 HydrophobicContact CG1-CB 4Å; V86-F281 HydrophobicContact CG1-CD1 3.7Å; V86-F281 HydrophobicContact CG1-CD2 4.3Å; V86-F281 HydrophobicContact CG1-CE1 4.24Å; V86-F281 HydrophobicContact CG1-CG 3.73Å; P257-F281 WeakPolarHBondContact CB-O 3.47Å; C258-F281 HydrophobicContact CB-CB 4.38Å; L262-F281 HydrophobicContact CD2-CB 4.25Å; T277-F281 HydrophobicContact CG2-CD2 4.22Å; T277-F281 HydrophobicContact CG2-CE2 4.12Å; T277-F281 WeakPolarHBondContact O-CD2 3.28Å; T277-F281 PolarHBondContact O-N 3.05Å; K278-F281 PolarHBondContact O-N 3.23Å; A279-F281 PolarHBondContact O-N 3.34Å; F281-S283 PolarHBondContact O-N 3.48Å; F281-S283 VanDerWaalsContact O-N 3.13Å; F281-Q284 WeakPolarHBondContact O-CB 3.17Å; F281-Q284 WeakPolarHBondContact O-CG 3.36Å; F281-Q284 PolarHBondContact O-N 2.91Å; F281-Q284 VanDerWaalsContact O-N 3.11Å
282A94.2Very high90.5Very high50 Ų5052.2 Ų52.241%0.41332%0.318SS..Hα-helixtrans-64.3-21.1-176.700000114K278K278-A282 VanDerWaalsContact O-CB 3.24Å; K278-A282 WeakPolarHBondContact O-CB 3.43Å; K278-A282 PolarHBondContact O-N 3.43Å
283S91.6Very high90.3Very high84 Ų8449.4 Ų49.459%0.58730%0.298SS*.THydrogen-bonded Turntrans-93.8-1.8178.563.50000114.4A279 F280 F281 K285A279-S283 WeakPolarHBondContact O-CB 3.35Å; A279-S283 PolarHBondContact O-N 3.33Å; A279-S283 PolarHBondContact O-OG 2.89Å; F280-S283 PolarHBondContact O-OG 3.43Å; F281-S283 PolarHBondContact O-N 3.48Å; F281-S283 VanDerWaalsContact O-N 3.13Å; S283-K285 PolarHBondContact O-N 3.33Å
284Q88.1Confident89.9Confident41 Ų4151.9 Ų51.919%0.19231%0.313CS..  trans-65.3134.1179.1-63.9-62.7-50.700111W84 P257 F280 F281W84-Q284 HydrophobicContact CB-CG 3.99Å; W84-Q284 WeakPolarHBondContact O-CB 3.27Å; W84-Q284 WeakPolarHBondContact O-CG 3.26Å; P257-Q284 HydrophobicContact CB-CB 4.36Å; F280-Q284 VanDerWaalsContact O-CG 3.3Å; F280-Q284 WeakPolarHBondContact O-CG 3.3Å; F280-Q284 PolarHBondContact O-NE2 3.41Å; F281-Q284 WeakPolarHBondContact O-CB 3.17Å; F281-Q284 WeakPolarHBondContact O-CG 3.36Å; F281-Q284 PolarHBondContact O-N 2.91Å; F281-Q284 VanDerWaalsContact O-N 3.11Å
285K77Confident89.4Confident170 Ų17055.1 Ų55.174%0.73933%0.332SS*.  trans-90.4121.3170.5-64.6-174.2-179.2-175.90108.8S283S283-K285 PolarHBondContact O-N 3.33Å
286L75.8Confident88.9Confident11 Ų1158 Ų586%0.05834%0.342CS..  trans-89.1-15.4-178.3-60.2172.8000112.8R47 R83 N255 P257R47-L286 PolarHBondContact NH2-O 3.21Å; R83-L286 PolarHBondContact NH1-O 3.18Å; N255-L286 WeakPolarHBondContact O-CD1 3.46Å; N255-L286 WeakPolarHBondContact OD1-CB 3.32Å; P257-L286 HydrophobicContact CB-CD1 4.12Å; P257-L286 HydrophobicContact CB-CD2 4.49Å; P257-L286 HydrophobicContact CB-CG 4.42Å
287S63.6Low88.2Confident144 Ų14454.8 Ų54.8100%1.00733%0.334SS*.  trans-126.60173.962.20000111.1

Retrieved 287 of 287 residues in 269.3 ms (Link to these results)

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