A0A087XH16_POEFO Loading...

Serine--tRNA ligase, cytoplasmic

AlphaFold DB , UniProt , Accession A0A087XH16, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 493 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
1M77.5Confident93.5Very high12 Ų1238.5 Ų38.56%0.05921%0.208CC..  0134.70-51.5168.6-85.800108E236 V237 A238 Q239 A372 Y401 Q402 R405M1-E236 WeakPolarHBondContact CG-O 3.02Å; M1-E236 PolarHBondContact N-O 3.29Å; M1-E236 VanDerWaalsContact N-O 3.12Å; M1-V237 VanDerWaalsContact CE-C 3.48Å; M1-V237 VanDerWaalsContact CE-O 3.26Å; M1-V237 WeakPolarHBondContact CE-O 3.5Å; M1-A238 VanDerWaalsContact CE-C 3.44Å; M1-Q239 HydrophobicContact CE-CG 3.77Å; M1-A372 HydrophobicContact SD-CB 3.94Å; M1-Y401 VanDerWaalsContact C-CE1 3.44Å; M1-Y401 HydrophobicContact CB-CD1 3.37Å; M1-Y401 HydrophobicContact CB-CE1 3.2Å; M1-Y401 HydrophobicContact CG-CD1 4.46Å; M1-Y401 HydrophobicContact CG-CE1 4.45Å; M1-Y401 PolarHBondContact O-OH 3.49Å; M1-Q402 HydrophobicContact CG-CG 3.93Å; M1-Q402 HydrophobicContact SD-CG 3.76Å; M1-R405 VanDerWaalsContact CA-CB 3.42Å; M1-R405 VanDerWaalsContact N-CG 3.27Å
2V89.2Confident93.4Very high13 Ų1345.6 Ų45.68%0.07924%0.235CC..  trans-155.1156.1-171.9-67.70000113.1F129 L132 Y401 R404 R405V2-F129 HydrophobicContact CG1-CE2 3.97Å; V2-L132 HydrophobicContact CB-CD1 4.45Å; V2-L132 HydrophobicContact CB-CD2 3.8Å; V2-L132 HydrophobicContact CB-CG 3.82Å; V2-L132 HydrophobicContact CG1-CD2 3.89Å; V2-L132 HydrophobicContact CG1-CG 3.77Å; V2-L132 HydrophobicContact CG2-CD2 4.26Å; V2-Y401 VanDerWaalsContact C-CD2 3.47Å; V2-Y401 VanDerWaalsContact C-CE2 3.41Å; V2-Y401 PolarHBondContact N-O 2.9Å; V2-Y401 VanDerWaalsContact N-O 3.13Å; V2-R404 HydrophobicContact CG2-CG 4.46Å; V2-R405 HydrophobicContact CG2-CB 4.48Å
3L95.8Very high93.4Very high5 Ų547.9 Ų47.93%0.02628%0.277CS..  trans-73166.4168.2-78175.8000112.9L7 F8 I19 L132 I135 L138 Y401 R404L3-L7 HydrophobicContact CD2-CD1 4.29Å; L3-F8 HydrophobicContact CB-CE2 4.04Å; L3-F8 HydrophobicContact CB-CZ 4.45Å; L3-F8 HydrophobicContact CD1-CE2 4.46Å; L3-F8 HydrophobicContact CD1-CZ 4.22Å; L3-I19 HydrophobicContact CD1-CG2 4.27Å; L3-L132 HydrophobicContact CB-CD1 4.27Å; L3-I135 HydrophobicContact CD1-CG2 3.85Å; L3-L138 HydrophobicContact CD2-CG 4.29Å; L3-Y401 HydrophobicContact CD2-CD2 4.15Å; L3-Y401 HydrophobicContact CD2-CE2 4.5Å; L3-Y401 HydrophobicContact CG-CD2 4.14Å; L3-Y401 HydrophobicContact CG-CE2 4.01Å; L3-R404 WeakPolarHBondContact O-CD 3.45Å
4D95.8Very high93.5Very high37 Ų3745.5 Ų45.520%0.19827%0.268CS..  trans-66.7128.9169-160.9-26.3000111.3D6 L7 F8 R404D4-D6 PolarHBondContact O-N 3.1Å; D4-D6 PolarHBondContact OD1-N 3.35Å; D4-L7 HydrophobicContact CB-CD1 3.97Å; D4-L7 HydrophobicContact CB-CG 4Å; D4-L7 WeakPolarHBondContact O-CB 3.42Å; D4-L7 PolarHBondContact O-N 3.4Å; D4-F8 VanDerWaalsContact O-CD2 3.3Å; D4-F8 WeakPolarHBondContact O-CD2 3.33Å; D4-F8 WeakPolarHBondContact O-CE2 3.48Å; D4-R404 IonicContact OD1-NH1 3.58Å; D4-R404 IonicContact OD2-CZ 2.7Å; D4-R404 IonicContact OD2-NH1 2.75Å; D4-R404 PolarHBondContact OD2-NH1 3.07Å; D4-R404 IonicContact OD2-NH2 3.63Å; D4-R404 PolarHBondContact OD2-NH2 3.19Å
5L95.3Very high93.8Very high35 Ų3547.7 Ų47.718%0.18328%0.278CS..G310 helixtrans-62.2-29174.6-79.6175.4000112.6L7 F8 L36 R128 L132L5-L7 PolarHBondContact O-N 2.84Å; L5-F8 WeakPolarHBondContact O-CB 3.47Å; L5-F8 PolarHBondContact O-N 3.12Å; L5-L36 HydrophobicContact CD2-CD2 4.27Å; L5-R128 HydrophobicContact CD2-CG 4.35Å; L5-L132 HydrophobicContact CD2-CD2 3.9Å; L5-L132 HydrophobicContact CG-CD2 4.24Å
6D95.3Very high94Very high24 Ų2445.3 Ų45.313%0.12827%0.265CS..G310 helixtrans-73.5-16.6-178-70.6-25.2000113D4 F8 R9 K12 G14 K419D4-D6 PolarHBondContact O-N 3.1Å; D4-D6 PolarHBondContact OD1-N 3.35Å; D6-F8 PolarHBondContact O-N 3.45Å; D6-R9 PolarHBondContact O-N 3.24Å; D6-R9 WeakPolarHBondContact OD1-CD 3.21Å; D6-R9 IonicContact OD1-CZ 2.77Å; D6-R9 IonicContact OD1-NE 2.98Å; D6-R9 IonicContact OD1-NH1 3.45Å; D6-R9 PolarHBondContact OD1-NH1 2.99Å; D6-K12 HydrophobicContact CB-CB 3.98Å; D6-K12 HydrophobicContact CB-CG 4.47Å; D6-G14 VanDerWaalsContact O-CA 3.31Å; D6-G14 WeakPolarHBondContact O-CA 3.48Å; D6-K419 WeakPolarHBondContact OD2-CE 3.46Å; D6-K419 IonicContact OD2-NZ 2.57Å; D6-K419 PolarHBondContact OD2-NZ 2.94Å
7L95.9Very high94.2Very high61 Ų6147.2 Ų47.232%0.31927%0.27SS..G310 helixtrans-64-24.2168.2-66.9168.2000111.9L3 D4 L5 G14 D15 I19 L138L3-L7 HydrophobicContact CD2-CD1 4.29Å; D4-L7 HydrophobicContact CB-CD1 3.97Å; D4-L7 HydrophobicContact CB-CG 4Å; D4-L7 WeakPolarHBondContact O-CB 3.42Å; D4-L7 PolarHBondContact O-N 3.4Å; L5-L7 PolarHBondContact O-N 2.84Å; L7-G14 CarbonylContact O-C 3.57Å; L7-D15 CarbonylContact O-C 3.55Å; L7-D15 PolarHBondContact O-N 2.89Å; L7-D15 VanDerWaalsContact O-N 3.1Å; L7-I19 HydrophobicContact CB-CD1 3.78Å; L7-L138 HydrophobicContact CD1-CD1 4.47Å
8F97.4Very high94.4Very high7 Ų749.7 Ų49.73%0.03128%0.281CS..G310 helixtrans-91.4-2.2178.6-58.5-99.2000113L3 D4 L5 D6 P16 I19 V33 L36 V37 L132 I135L3-F8 HydrophobicContact CB-CE2 4.04Å; L3-F8 HydrophobicContact CB-CZ 4.45Å; L3-F8 HydrophobicContact CD1-CE2 4.46Å; L3-F8 HydrophobicContact CD1-CZ 4.22Å; D4-F8 VanDerWaalsContact O-CD2 3.3Å; D4-F8 WeakPolarHBondContact O-CD2 3.33Å; D4-F8 WeakPolarHBondContact O-CE2 3.48Å; L5-F8 WeakPolarHBondContact O-CB 3.47Å; L5-F8 PolarHBondContact O-N 3.12Å; D6-F8 PolarHBondContact O-N 3.45Å; F8-P16 WeakPolarHBondContact O-CG 3.49Å; F8-I19 HydrophobicContact CB-CD1 4.44Å; F8-I19 HydrophobicContact CD1-CD1 3.41Å; F8-I19 VanDerWaalsContact CD1-CD1 3.41Å; F8-I19 HydrophobicContact CD2-CD1 3.68Å; F8-I19 HydrophobicContact CE1-CB 4.33Å; F8-I19 HydrophobicContact CE1-CD1 3.4Å; F8-I19 HydrophobicContact CE1-CG1 4.45Å; F8-I19 HydrophobicContact CE1-CG2 3.73Å; F8-I19 HydrophobicContact CE2-CD1 3.67Å; F8-I19 HydrophobicContact CG-CD1 3.56Å; F8-I19 HydrophobicContact CZ-CD1 3.54Å; F8-I19 HydrophobicContact CZ-CG2 3.95Å; F8-V33 HydrophobicContact CD1-CG1 4.1Å; F8-V33 HydrophobicContact CE1-CG1 4.22Å; F8-L36 HydrophobicContact CB-CD2 3.87Å; F8-L36 HydrophobicContact CD1-CD1 4.15Å; F8-L36 HydrophobicContact CD1-CD2 3.58Å; F8-L36 HydrophobicContact CD1-CG 4.38Å; F8-L36 HydrophobicContact CD2-CD2 4.18Å; F8-L36 HydrophobicContact CE1-CD1 3.79Å; F8-L36 HydrophobicContact CE1-CD2 4.1Å; F8-L36 HydrophobicContact CE1-CG 4.46Å; F8-L36 HydrophobicContact CE2-CD1 4.35Å; F8-L36 HydrophobicContact CG-CD2 3.62Å; F8-L36 HydrophobicContact CZ-CD1 3.89Å; F8-V37 HydrophobicContact CB-CG2 4.21Å; F8-L132 HydrophobicContact CE2-CD1 3.73Å; F8-L132 HydrophobicContact CZ-CD1 3.84Å; F8-I135 HydrophobicContact CE1-CD1 3.77Å; F8-I135 HydrophobicContact CZ-CD1 3.99Å; F8-I135 HydrophobicContact CZ-CG2 4.14Å
9R96.7Very high94.5Very high31 Ų3147.2 Ų47.212%0.11727%0.267CS..  trans-114.5109.6-173.5-67.5177.1-176.4149.5-0.4111D6 D11 K12 G13 G14 D40D6-R9 PolarHBondContact O-N 3.24Å; D6-R9 WeakPolarHBondContact OD1-CD 3.21Å; D6-R9 IonicContact OD1-CZ 2.77Å; D6-R9 IonicContact OD1-NE 2.98Å; D6-R9 IonicContact OD1-NH1 3.45Å; D6-R9 PolarHBondContact OD1-NH1 2.99Å; R9-D11 VanDerWaalsContact C-N 3.28Å; R9-D11 PolarHBondContact O-N 3.08Å; R9-K12 HydrophobicContact CB-CB 3.96Å; R9-K12 HydrophobicContact CB-CG 3.87Å; R9-K12 PolarHBondContact O-N 3.34Å; R9-G13 PolarHBondContact O-N 3.3Å; R9-G14 PolarHBondContact O-N 3.38Å; R9-D40 IonicContact CZ-OD1 3.05Å; R9-D40 IonicContact CZ-OD2 3.58Å; R9-D40 IonicContact NE-OD1 2.61Å; R9-D40 IonicContact NE-OD2 2.7Å; R9-D40 PolarHBondContact NE-OD2 3.36Å; R9-D40 IonicContact NH2-OD1 2.89Å; R9-D40 PolarHBondContact NH2-OD1 3.48Å; R9-D40 IonicContact NH2-OD2 3.53Å; R9-D40 PolarHBondContact NH2-OD2 3.47Å
10T95.9Very high94.7Very high107 Ų10747.5 Ų47.566%0.65626%0.264SS*.G310 helixtrans-63.2-33.5177.753.90000112.5K12 G13 G14 P16T10-K12 PolarHBondContact O-N 2.68Å; T10-G13 PolarHBondContact O-N 3.23Å; T10-G13 VanDerWaalsContact O-N 3.14Å; T10-G14 WeakPolarHBondContact CA-O 3.47Å; T10-P16 HydrophobicContact CG2-CG 4.33Å
11D94Very high94.9Very high92 Ų9248.5 Ų48.549%0.49227%0.267SS..G310 helixtrans-67.4-12.6174.263.3-77.7000114R9 R44R9-D11 VanDerWaalsContact C-N 3.28Å; R9-D11 PolarHBondContact O-N 3.08Å; D11-R44 VanDerWaalsContact CG-NH1 3.26Å; D11-R44 IonicContact OD1-CZ 2.71Å; D11-R44 IonicContact OD1-NH1 3.74Å; D11-R44 PolarHBondContact OD1-NH1 2.79Å; D11-R44 IonicContact OD1-NH2 2.76Å; D11-R44 IonicContact OD2-NH1 3.58Å; D11-R44 PolarHBondContact OD2-NH1 3.36Å; D11-R44 VanDerWaalsContact OD2-NH1 3.16Å
12K92.7Very high95.8Very high123 Ų12348.5 Ų48.554%0.53527%0.268SS..G310 helixtrans-107.18.4176.1-60.1-63-178.3-177.70113.2D6 R9 T10 G14D6-K12 HydrophobicContact CB-CB 3.98Å; D6-K12 HydrophobicContact CB-CG 4.47Å; R9-K12 HydrophobicContact CB-CB 3.96Å; R9-K12 HydrophobicContact CB-CG 3.87Å; R9-K12 PolarHBondContact O-N 3.34Å; T10-K12 PolarHBondContact O-N 2.68Å; K12-G14 VanDerWaalsContact C-N 3.31Å
13G93.1Very high96.3Very high76 Ų7648 Ų4878%0.78426%0.264SS*.THydrogen-bonded Turntrans817.8-177.100000114.4R9 T10R9-G13 PolarHBondContact O-N 3.3Å; T10-G13 PolarHBondContact O-N 3.23Å; T10-G13 VanDerWaalsContact O-N 3.14Å
14G95.1Very high96.4Very high14 Ų1452.7 Ų52.714%0.14428%0.282CS..  trans-76.6160.8170.700000112.5D6 L7 R9 T10 K12D6-G14 VanDerWaalsContact O-CA 3.31Å; D6-G14 WeakPolarHBondContact O-CA 3.48Å; L7-G14 CarbonylContact O-C 3.57Å; R9-G14 PolarHBondContact O-N 3.38Å; T10-G14 WeakPolarHBondContact CA-O 3.47Å; K12-G14 VanDerWaalsContact C-N 3.31Å
15D96.9Very high96.5Very high78 Ų7854.8 Ų54.842%0.41729%0.289SS..  trans-130.5101.9176-176.10000110L7 E17 I18L7-D15 CarbonylContact O-C 3.55Å; L7-D15 PolarHBondContact O-N 2.89Å; L7-D15 VanDerWaalsContact O-N 3.1Å; D15-E17 PolarHBondContact O-N 3.42Å; D15-E17 VanDerWaalsContact O-N 3.1Å; D15-E17 VanDerWaalsContact OD1-CB 3.28Å; D15-E17 WeakPolarHBondContact OD1-CB 3.45Å; D15-E17 PolarHBondContact OD1-N 2.93Å; D15-I18 HydrophobicContact CB-CD1 3.89Å; D15-I18 HydrophobicContact CB-CG1 4Å; D15-I18 PolarHBondContact O-N 3.5Å; D15-I18 VanDerWaalsContact O-N 3.16Å
16P97.3Very high96.6Very high10 Ų1053.3 Ų53.37%0.06528%0.281CS..Hα-helixtrans-55.1-26175.7-26.735.3000113.6F8 T10 I18 I19 R20 V33 V37F8-P16 WeakPolarHBondContact O-CG 3.49Å; T10-P16 HydrophobicContact CG2-CG 4.33Å; P16-I18 VanDerWaalsContact C-N 3.35Å; P16-I18 PolarHBondContact O-N 3.11Å; P16-I19 WeakPolarHBondContact O-CB 3.45Å; P16-I19 PolarHBondContact O-N 2.96Å; P16-I19 VanDerWaalsContact O-N 3.14Å; P16-R20 WeakPolarHBondContact O-CG 3.21Å; P16-R20 PolarHBondContact O-N 3.46Å; P16-V33 HydrophobicContact CB-CG1 4.2Å; P16-V37 HydrophobicContact CB-CG2 4.37Å; P16-V37 HydrophobicContact CG-CG2 4.29Å
17E97.7Very high96.8Very high77 Ų7757 Ų5736%0.3630%0.296SS..Hα-helixtrans-69-33.4-178.9-16853.2-142.300112.5D15 I19 R20 E21 R24D15-E17 PolarHBondContact O-N 3.42Å; D15-E17 VanDerWaalsContact O-N 3.1Å; D15-E17 VanDerWaalsContact OD1-CB 3.28Å; D15-E17 WeakPolarHBondContact OD1-CB 3.45Å; D15-E17 PolarHBondContact OD1-N 2.93Å; E17-I19 PolarHBondContact O-N 2.86Å; E17-R20 PolarHBondContact O-N 2.78Å; E17-R20 WeakPolarHBondContact OE2-CD 3.16Å; E17-R20 IonicContact OE2-CZ 3.65Å; E17-R20 IonicContact OE2-NE 3.43Å; E17-R20 IonicContact OE2-NH1 3.04Å; E17-R20 PolarHBondContact OE2-NH1 2.94Å; E17-E21 WeakPolarHBondContact O-CB 3.3Å; E17-E21 PolarHBondContact O-N 3.45Å; E17-R24 IonicContact OE1-CZ 3.59Å; E17-R24 IonicContact OE1-NH2 2.69Å; E17-R24 PolarHBondContact OE1-NH2 3.39Å
18I96.9Very high96.8Very high92 Ų9258.7 Ų58.747%0.47230%0.301SS..Hα-helixtrans-60-36.8172.5-63.9177.3000110.4D15 P16 T22 L138D15-I18 HydrophobicContact CB-CD1 3.89Å; D15-I18 HydrophobicContact CB-CG1 4Å; D15-I18 PolarHBondContact O-N 3.5Å; D15-I18 VanDerWaalsContact O-N 3.16Å; P16-I18 VanDerWaalsContact C-N 3.35Å; P16-I18 PolarHBondContact O-N 3.11Å; I18-T22 WeakPolarHBondContact O-CB 3.33Å; I18-T22 PolarHBondContact O-N 3.13Å; I18-T22 PolarHBondContact O-OG1 3.1Å; I18-L138 HydrophobicContact CG2-CD2 4.33Å
19I97.9Very high96.8Very high3 Ų362.3 Ų62.32%0.01532%0.32CS..Hα-helixtrans-75.6-39.8179.6-47.4176.6000110.3L3 L7 F8 P16 E17 E21 T22 Q23 V33 I135L3-I19 HydrophobicContact CD1-CG2 4.27Å; L7-I19 HydrophobicContact CB-CD1 3.78Å; F8-I19 HydrophobicContact CB-CD1 4.44Å; F8-I19 HydrophobicContact CD1-CD1 3.41Å; F8-I19 VanDerWaalsContact CD1-CD1 3.41Å; F8-I19 HydrophobicContact CD2-CD1 3.68Å; F8-I19 HydrophobicContact CE1-CB 4.33Å; F8-I19 HydrophobicContact CE1-CD1 3.4Å; F8-I19 HydrophobicContact CE1-CG1 4.45Å; F8-I19 HydrophobicContact CE1-CG2 3.73Å; F8-I19 HydrophobicContact CE2-CD1 3.67Å; F8-I19 HydrophobicContact CG-CD1 3.56Å; F8-I19 HydrophobicContact CZ-CD1 3.54Å; F8-I19 HydrophobicContact CZ-CG2 3.95Å; P16-I19 WeakPolarHBondContact O-CB 3.45Å; P16-I19 PolarHBondContact O-N 2.96Å; P16-I19 VanDerWaalsContact O-N 3.14Å; E17-I19 PolarHBondContact O-N 2.86Å; I19-E21 VanDerWaalsContact C-N 3.34Å; I19-E21 PolarHBondContact O-N 3.19Å; I19-T22 WeakPolarHBondContact O-CB 3.29Å; I19-T22 PolarHBondContact O-N 2.91Å; I19-Q23 WeakPolarHBondContact O-CG 3.42Å; I19-Q23 PolarHBondContact O-N 3.21Å; I19-V33 HydrophobicContact CB-CG1 4.46Å; I19-V33 HydrophobicContact CB-CG2 4.45Å; I19-V33 HydrophobicContact CG2-CG2 3.99Å; I19-I135 HydrophobicContact CG2-CG2 3.74Å
20R98.3Very high96.8Very high53 Ų5362.6 Ų62.620%0.233%0.325CS..Hα-helixtrans-59.6-44.7171.7-67.6-165.6-161.785.56.5111.6P16 E17 T22 Q23 R24 V30 V33 D34P16-R20 WeakPolarHBondContact O-CG 3.21Å; P16-R20 PolarHBondContact O-N 3.46Å; E17-R20 PolarHBondContact O-N 2.78Å; E17-R20 WeakPolarHBondContact OE2-CD 3.16Å; E17-R20 IonicContact OE2-CZ 3.65Å; E17-R20 IonicContact OE2-NE 3.43Å; E17-R20 IonicContact OE2-NH1 3.04Å; E17-R20 PolarHBondContact OE2-NH1 2.94Å; R20-T22 VanDerWaalsContact C-N 3.32Å; R20-T22 PolarHBondContact O-N 3.01Å; R20-Q23 PolarHBondContact O-N 3.42Å; R20-R24 WeakPolarHBondContact O-CG 3.39Å; R20-R24 PolarHBondContact O-N 3.39Å; R20-V30 HydrophobicContact CB-CG1 3.69Å; R20-V30 HydrophobicContact CG-CG1 3.69Å; R20-V33 HydrophobicContact CG-CB 3.94Å; R20-V33 HydrophobicContact CG-CG1 3.87Å; R20-V33 HydrophobicContact CG-CG2 4.09Å; R20-D34 IonicContact CZ-OD1 2.69Å; R20-D34 VanDerWaalsContact CZ-OD1 3.25Å; R20-D34 IonicContact NE-OD1 3.52Å; R20-D34 PolarHBondContact NE-OD1 3.04Å; R20-D34 IonicContact NE-OD2 3.6Å; R20-D34 IonicContact NH2-OD1 2.73Å; R20-D34 PolarHBondContact NH2-OD1 3.47Å
21E98.1Very high96.9Very high68 Ų6859.2 Ų59.232%0.31831%0.309SS..Hα-helixtrans-59.5-44.5174.8-177.662.2-139.800111.2E17 I19 Q23 R24 K25E17-E21 WeakPolarHBondContact O-CB 3.3Å; E17-E21 PolarHBondContact O-N 3.45Å; I19-E21 VanDerWaalsContact C-N 3.34Å; I19-E21 PolarHBondContact O-N 3.19Å; E21-Q23 PolarHBondContact O-N 3.45Å; E21-R24 PolarHBondContact O-N 3.04Å; E21-R24 IonicContact OE1-NH1 2.82Å; E21-R24 IonicContact OE2-CZ 3.91Å; E21-R24 IonicContact OE2-NH1 2.76Å; E21-R24 PolarHBondContact OE2-NH1 3.24Å; E21-R24 IonicContact OE2-NH2 3.21Å; E21-R24 PolarHBondContact OE2-NH2 3.48Å; E21-K25 HydrophobicContact CG-CD 4.33Å; E21-K25 WeakPolarHBondContact O-CB 3.43Å; E21-K25 WeakPolarHBondContact O-CG 3.45Å; E21-K25 PolarHBondContact O-N 3.31Å; E21-K25 WeakPolarHBondContact OE1-CE 3.48Å
22T97.5Very high97.1Very high13 Ų1356.1 Ų56.18%0.0829%0.292CS..Hα-helixtrans-62.1-42.4176.8-59.30000111.6I18 I19 R20 K25 R26 N137 L138 L139I18-T22 WeakPolarHBondContact O-CB 3.33Å; I18-T22 PolarHBondContact O-N 3.13Å; I18-T22 PolarHBondContact O-OG1 3.1Å; I19-T22 WeakPolarHBondContact O-CB 3.29Å; I19-T22 PolarHBondContact O-N 2.91Å; R20-T22 VanDerWaalsContact C-N 3.32Å; R20-T22 PolarHBondContact O-N 3.01Å; T22-K25 PolarHBondContact O-N 3.03Å; T22-R26 WeakPolarHBondContact O-CB 3.34Å; T22-R26 WeakPolarHBondContact O-CG 3.21Å; T22-R26 PolarHBondContact O-N 3.26Å; T22-N137 WeakPolarHBondContact CG2-O 3.34Å; T22-L138 HydrophobicContact CG2-CD2 4.43Å; T22-L139 HydrophobicContact CG2-CG 4.17Å
23Q97.9Very high97.3Very high1 Ų150.3 Ų50.31%0.00527%0.267CS..Hα-helixtrans-62.1-44174.7-77.1-69.7-42.400112.1I19 R20 E21 R26 F27 K28 V30 V33 I135I19-Q23 WeakPolarHBondContact O-CG 3.42Å; I19-Q23 PolarHBondContact O-N 3.21Å; R20-Q23 PolarHBondContact O-N 3.42Å; E21-Q23 PolarHBondContact O-N 3.45Å; Q23-R26 CarbonylContact O-C 3.58Å; Q23-R26 PolarHBondContact O-N 2.86Å; Q23-R26 VanDerWaalsContact O-N 3.16Å; Q23-F27 PolarHBondContact O-N 3.16Å; Q23-F27 VanDerWaalsContact O-N 3.13Å; Q23-K28 PolarHBondContact O-N 2.94Å; Q23-V30 HydrophobicContact CB-CG2 4.29Å; Q23-V33 HydrophobicContact CG-CG2 4.01Å; Q23-I135 HydrophobicContact CG-CG2 4.43Å; Q23-I135 VanDerWaalsContact NE2-CA 3.34Å
24R98.4Very high97.5Very high105 Ų10550.4 Ų50.440%0.39625%0.249SC..Hα-helixtrans-58.9-47.8174.1-73.8-171.7-87.3106.7-0.6111.2E17 R20 E21 R26 F27 V30E17-R24 IonicContact OE1-CZ 3.59Å; E17-R24 IonicContact OE1-NH2 2.69Å; E17-R24 PolarHBondContact OE1-NH2 3.39Å; R20-R24 WeakPolarHBondContact O-CG 3.39Å; R20-R24 PolarHBondContact O-N 3.39Å; E21-R24 PolarHBondContact O-N 3.04Å; E21-R24 IonicContact OE1-NH1 2.82Å; E21-R24 IonicContact OE2-CZ 3.91Å; E21-R24 IonicContact OE2-NH1 2.76Å; E21-R24 PolarHBondContact OE2-NH1 3.24Å; E21-R24 IonicContact OE2-NH2 3.21Å; E21-R24 PolarHBondContact OE2-NH2 3.48Å; R24-R26 VanDerWaalsContact C-N 3.25Å; R24-R26 PolarHBondContact O-N 3.35Å; R24-F27 PolarHBondContact O-N 3.35Å; R24-V30 HydrophobicContact CB-CG2 4.49Å; R24-V30 HydrophobicContact CG-CG2 3.34Å
25K98.3Very high97.7Very high81 Ų8154.2 Ų54.235%0.35226%0.262SS..Hα-helixtrans-62.4-30.9176.5-73.2177.7175.71740112.9E21 T22 F27 L139 V145 S366E21-K25 HydrophobicContact CG-CD 4.33Å; E21-K25 WeakPolarHBondContact O-CB 3.43Å; E21-K25 WeakPolarHBondContact O-CG 3.45Å; E21-K25 PolarHBondContact O-N 3.31Å; E21-K25 WeakPolarHBondContact OE1-CE 3.48Å; T22-K25 PolarHBondContact O-N 3.03Å; K25-F27 VanDerWaalsContact C-N 3.31Å; K25-F27 VanDerWaalsContact O-CD2 3.31Å; K25-F27 WeakPolarHBondContact O-CD2 3.46Å; K25-F27 WeakPolarHBondContact O-CE2 3.3Å; K25-L139 HydrophobicContact CB-CD1 3.57Å; K25-L139 HydrophobicContact CD-CD1 4.28Å; K25-V145 HydrophobicContact CB-CG1 4.09Å; K25-V145 HydrophobicContact CB-CG2 4.36Å; K25-V145 HydrophobicContact CD-CG2 4.13Å; K25-V145 HydrophobicContact CG-CG1 4Å; K25-V145 HydrophobicContact CG-CG2 4.08Å; K25-S366 WeakPolarHBondContact O-CB 3.49Å; K25-S366 PolarHBondContact O-OG 2.83Å
26R98.3Very high97.7Very high3 Ų350.5 Ų50.51%0.01124%0.242CC..THydrogen-bonded Turntrans-84.20.1175.6-71.2-179.9173.8-85.43.2113.9T22 Q23 R24 K28 N137 L139 N370 A373T22-R26 WeakPolarHBondContact O-CB 3.34Å; T22-R26 WeakPolarHBondContact O-CG 3.21Å; T22-R26 PolarHBondContact O-N 3.26Å; Q23-R26 CarbonylContact O-C 3.58Å; Q23-R26 PolarHBondContact O-N 2.86Å; Q23-R26 VanDerWaalsContact O-N 3.16Å; R24-R26 VanDerWaalsContact C-N 3.25Å; R24-R26 PolarHBondContact O-N 3.35Å; R26-K28 VanDerWaalsContact C-N 3.26Å; R26-K28 HydrophobicContact CB-CG 4.01Å; R26-K28 WeakPolarHBondContact O-CG 3.28Å; R26-K28 PolarHBondContact O-N 3.42Å; R26-N137 VanDerWaalsContact CZ-O 3.27Å; R26-N137 PolarHBondContact NE-O 3.47Å; R26-N137 PolarHBondContact NH2-O 3.24Å; R26-L139 HydrophobicContact CG-CD1 4.03Å; R26-L139 HydrophobicContact CG-CD2 4.2Å; R26-L139 HydrophobicContact CG-CG 4.27Å; R26-L139 VanDerWaalsContact CZ-CD2 3.49Å; R26-N370 PolarHBondContact NH1-O 3.15Å; R26-A373 PolarHBondContact NH2-O 2.87Å
27F97.9Very high97.7Very high102 Ų10251.8 Ų51.845%0.44725%0.25SC..THydrogen-bonded Turntrans56.839.7-176.1-57.7-97.3000112.6Q23 R24 K25 V145 S146 N147Q23-F27 PolarHBondContact O-N 3.16Å; Q23-F27 VanDerWaalsContact O-N 3.13Å; R24-F27 PolarHBondContact O-N 3.35Å; K25-F27 VanDerWaalsContact C-N 3.31Å; K25-F27 VanDerWaalsContact O-CD2 3.31Å; K25-F27 WeakPolarHBondContact O-CD2 3.46Å; K25-F27 WeakPolarHBondContact O-CE2 3.3Å; F27-V145 HydrophobicContact CE2-CG1 4.34Å; F27-S146 VanDerWaalsContact CE2-O 3.29Å; F27-S146 WeakPolarHBondContact CE2-O 3.49Å; F27-N147 HydrophobicContact CB-CB 4.41Å; F27-N147 HydrophobicContact CD1-CB 3.87Å; F27-N147 HydrophobicContact CD2-CB 3.81Å; F27-N147 HydrophobicContact CE1-CB 4.02Å; F27-N147 HydrophobicContact CE2-CB 4.01Å; F27-N147 HydrophobicContact CG-CB 3.76Å; F27-N147 HydrophobicContact CZ-CB 4.09Å
28K96.8Very high97.7Very high97 Ų9751 Ų5142%0.42226%0.257SS..  trans-117.2168.5-179.7-63.1-56.8177.6-176.50111.4Q23 R26 V30Q23-K28 PolarHBondContact O-N 2.94Å; R26-K28 VanDerWaalsContact C-N 3.26Å; R26-K28 HydrophobicContact CB-CG 4.01Å; R26-K28 WeakPolarHBondContact O-CG 3.28Å; R26-K28 PolarHBondContact O-N 3.42Å; K28-V30 PolarHBondContact O-N 3.32Å; K28-V30 VanDerWaalsContact O-N 3.14Å
29D97.3Very high97.7Very high82 Ų8247 Ų4744%0.43924%0.236SC..  trans-68.7108.5-174.8-17917.2000112.1A31 L32D29-A31 PolarHBondContact O-N 3.1Å; D29-A31 VanDerWaalsContact OD1-CB 3.22Å; D29-A31 WeakPolarHBondContact OD1-CB 3.08Å; D29-A31 PolarHBondContact OD1-N 3.3Å; D29-L32 HydrophobicContact CB-CD1 4.17Å; D29-L32 HydrophobicContact CB-CG 4.1Å; D29-L32 WeakPolarHBondContact O-CB 3.24Å; D29-L32 WeakPolarHBondContact O-CG 3.48Å; D29-L32 PolarHBondContact O-N 3Å
30V97.6Very high97.7Very high37 Ų3747 Ų4722%0.22424%0.237CC..THydrogen-bonded Turntrans-64.9-28.9177.6-172.70000111.9R20 Q23 R24 K28 L32 V33R20-V30 HydrophobicContact CB-CG1 3.69Å; R20-V30 HydrophobicContact CG-CG1 3.69Å; Q23-V30 HydrophobicContact CB-CG2 4.29Å; R24-V30 HydrophobicContact CB-CG2 4.49Å; R24-V30 HydrophobicContact CG-CG2 3.34Å; K28-V30 PolarHBondContact O-N 3.32Å; K28-V30 VanDerWaalsContact O-N 3.14Å; V30-L32 PolarHBondContact O-N 3.37Å; V30-L32 VanDerWaalsContact O-N 3.13Å; V30-V33 WeakPolarHBondContact O-CB 3.39Å; V30-V33 PolarHBondContact O-N 3.25Å
31A97.8Very high97.7Very high37 Ų3746.7 Ų46.731%0.30624%0.241SC..Hα-helixtrans-64.8-18.8-17800000112.6D29 V33 D34 K35D29-A31 PolarHBondContact O-N 3.1Å; D29-A31 VanDerWaalsContact OD1-CB 3.22Å; D29-A31 WeakPolarHBondContact OD1-CB 3.08Å; D29-A31 PolarHBondContact OD1-N 3.3Å; A31-V33 PolarHBondContact O-N 3.24Å; A31-D34 PolarHBondContact O-N 3.18Å; A31-K35 VanDerWaalsContact O-CG 3.32Å; A31-K35 WeakPolarHBondContact O-CG 2.93Å; A31-K35 PolarHBondContact O-N 3.46Å
32L97.3Very high97.6Very high27 Ų2747.6 Ų47.614%0.14125%0.245CC..Hα-helixtrans-60.1-33.7172.5-66.2174.7000112.3D29 V30 L36 Y131 E134 I135D29-L32 HydrophobicContact CB-CD1 4.17Å; D29-L32 HydrophobicContact CB-CG 4.1Å; D29-L32 WeakPolarHBondContact O-CB 3.24Å; D29-L32 WeakPolarHBondContact O-CG 3.48Å; D29-L32 PolarHBondContact O-N 3Å; V30-L32 PolarHBondContact O-N 3.37Å; V30-L32 VanDerWaalsContact O-N 3.13Å; L32-L36 VanDerWaalsContact O-CB 3.26Å; L32-L36 WeakPolarHBondContact O-CB 3.39Å; L32-L36 PolarHBondContact O-N 3.26Å; L32-Y131 HydrophobicContact CD2-CD1 4.05Å; L32-E134 HydrophobicContact CD1-CB 3.93Å; L32-I135 HydrophobicContact CB-CD1 4.24Å; L32-I135 HydrophobicContact CB-CG1 4.14Å
33V97.9Very high97.6Very high0 Ų048 Ų480%025%0.245CC..Hα-helixtrans-65.7-45.1177.5-176.60000110.3F8 P16 I19 R20 Q23 V30 A31 L36 V37 I135F8-V33 HydrophobicContact CD1-CG1 4.1Å; F8-V33 HydrophobicContact CE1-CG1 4.22Å; P16-V33 HydrophobicContact CB-CG1 4.2Å; I19-V33 HydrophobicContact CB-CG1 4.46Å; I19-V33 HydrophobicContact CB-CG2 4.45Å; I19-V33 HydrophobicContact CG2-CG2 3.99Å; R20-V33 HydrophobicContact CG-CB 3.94Å; R20-V33 HydrophobicContact CG-CG1 3.87Å; R20-V33 HydrophobicContact CG-CG2 4.09Å; Q23-V33 HydrophobicContact CG-CG2 4.01Å; V30-V33 WeakPolarHBondContact O-CB 3.39Å; V30-V33 PolarHBondContact O-N 3.25Å; A31-V33 PolarHBondContact O-N 3.24Å; V33-L36 PolarHBondContact O-N 2.95Å; V33-V37 VanDerWaalsContact O-CG2 3.31Å; V33-V37 WeakPolarHBondContact O-CG2 3.47Å; V33-V37 PolarHBondContact O-N 2.85Å; V33-I135 HydrophobicContact CG2-CD1 4.3Å
34D97Very high97.6Very high78 Ų7851.7 Ų51.742%0.41726%0.259SS..Hα-helixtrans-68.8-41.6-179.2-63-31.8000111.6R20 A31 L36 V37 A38R20-D34 IonicContact CZ-OD1 2.69Å; R20-D34 VanDerWaalsContact CZ-OD1 3.25Å; R20-D34 IonicContact NE-OD1 3.52Å; R20-D34 PolarHBondContact NE-OD1 3.04Å; R20-D34 IonicContact NE-OD2 3.6Å; R20-D34 IonicContact NH2-OD1 2.73Å; R20-D34 PolarHBondContact NH2-OD1 3.47Å; A31-D34 PolarHBondContact O-N 3.18Å; D34-L36 VanDerWaalsContact C-N 3.32Å; D34-L36 PolarHBondContact O-N 3.08Å; D34-V37 PolarHBondContact O-N 3.17Å; D34-A38 WeakPolarHBondContact O-CB 3.46Å; D34-A38 PolarHBondContact O-N 3.23Å
35K97.9Very high97.4Very high94 Ų9452 Ų5241%0.40926%0.263SS..Hα-helixtrans-59.3-43.3173.6-71.7173-177.3167.40111.6A31 A38 A39 Y131A31-K35 VanDerWaalsContact O-CG 3.32Å; A31-K35 WeakPolarHBondContact O-CG 2.93Å; A31-K35 PolarHBondContact O-N 3.46Å; K35-A38 PolarHBondContact O-N 2.57Å; K35-A39 WeakPolarHBondContact O-CB 3.09Å; K35-A39 PolarHBondContact O-N 3.05Å; K35-Y131 HydrophobicContact CB-CD1 4.34Å; K35-Y131 HydrophobicContact CB-CD2 3.7Å; K35-Y131 HydrophobicContact CB-CE1 4.27Å; K35-Y131 HydrophobicContact CB-CE2 3.58Å; K35-Y131 HydrophobicContact CB-CG 4.08Å; K35-Y131 HydrophobicContact CD-CD1 4.4Å; K35-Y131 HydrophobicContact CD-CE1 3.97Å; K35-Y131 HydrophobicContact CG-CE2 4.49Å
36L98Very high97.3Very high0 Ų048.7 Ų48.70%025%0.251CS..Hα-helixtrans-63.2-48.3176.1-175.7160000111.8L5 F8 L32 V33 D34 A38 A39 D40 R128 L132 I135L5-L36 HydrophobicContact CD2-CD2 4.27Å; F8-L36 HydrophobicContact CB-CD2 3.87Å; F8-L36 HydrophobicContact CD1-CD1 4.15Å; F8-L36 HydrophobicContact CD1-CD2 3.58Å; F8-L36 HydrophobicContact CD1-CG 4.38Å; F8-L36 HydrophobicContact CD2-CD2 4.18Å; F8-L36 HydrophobicContact CE1-CD1 3.79Å; F8-L36 HydrophobicContact CE1-CD2 4.1Å; F8-L36 HydrophobicContact CE1-CG 4.46Å; F8-L36 HydrophobicContact CE2-CD1 4.35Å; F8-L36 HydrophobicContact CG-CD2 3.62Å; F8-L36 HydrophobicContact CZ-CD1 3.89Å; L32-L36 VanDerWaalsContact O-CB 3.26Å; L32-L36 WeakPolarHBondContact O-CB 3.39Å; L32-L36 PolarHBondContact O-N 3.26Å; V33-L36 PolarHBondContact O-N 2.95Å; D34-L36 VanDerWaalsContact C-N 3.32Å; D34-L36 PolarHBondContact O-N 3.08Å; L36-A38 VanDerWaalsContact C-N 3.3Å; L36-A38 PolarHBondContact O-N 2.81Å; L36-A39 PolarHBondContact O-N 3.49Å; L36-D40 WeakPolarHBondContact O-CB 3.47Å; L36-D40 PolarHBondContact O-N 2.99Å; L36-R128 HydrophobicContact CG-CG 4.23Å; L36-L132 HydrophobicContact CD1-CB 3.62Å; L36-L132 HydrophobicContact CD1-CD1 3.67Å; L36-L132 HydrophobicContact CD1-CG 4.18Å; L36-I135 HydrophobicContact CD1-CD1 3.77Å
37V97.8Very high97Very high38 Ų3854.5 Ų54.523%0.2327%0.272CS..Hα-helixtrans-60.8-40.8179170.10000111F8 P16 V33 D34 T41F8-V37 HydrophobicContact CB-CG2 4.21Å; P16-V37 HydrophobicContact CB-CG2 4.37Å; P16-V37 HydrophobicContact CG-CG2 4.29Å; V33-V37 VanDerWaalsContact O-CG2 3.31Å; V33-V37 WeakPolarHBondContact O-CG2 3.47Å; V33-V37 PolarHBondContact O-N 2.85Å; D34-V37 PolarHBondContact O-N 3.17Å; V37-T41 WeakPolarHBondContact O-CB 3.46Å; V37-T41 PolarHBondContact O-N 3.36Å; V37-T41 PolarHBondContact O-OG1 3.28Å
38A97.4Very high96.9Very high61 Ų6155.7 Ų55.750%0.50428%0.277SS..Hα-helixtrans-63.5-50.7175.700000111.7D34 K35 L36 D40 T41 E42D34-A38 WeakPolarHBondContact O-CB 3.46Å; D34-A38 PolarHBondContact O-N 3.23Å; K35-A38 PolarHBondContact O-N 2.57Å; L36-A38 VanDerWaalsContact C-N 3.3Å; L36-A38 PolarHBondContact O-N 2.81Å; A38-D40 VanDerWaalsContact C-N 3.34Å; A38-D40 PolarHBondContact O-N 3.26Å; A38-T41 PolarHBondContact O-N 3.32Å; A38-E42 PolarHBondContact O-N 3.39Å
39A97.4Very high96.8Very high6 Ų652.4 Ų52.45%0.0527%0.266CS..Hα-helixtrans-61.3-40.417800000112.2K35 L36 E42 W43 R128 Y131K35-A39 WeakPolarHBondContact O-CB 3.09Å; K35-A39 PolarHBondContact O-N 3.05Å; L36-A39 PolarHBondContact O-N 3.49Å; A39-E42 PolarHBondContact O-N 3.15Å; A39-W43 VanDerWaalsContact O-CB 3.22Å; A39-W43 WeakPolarHBondContact O-CB 3.41Å; A39-W43 PolarHBondContact O-N 3.31Å; A39-R128 HydrophobicContact CB-CB 4.1Å; A39-Y131 HydrophobicContact CB-CD2 4.49Å; A39-Y131 HydrophobicContact CB-CE2 4.43Å
40D97.8Very high96.6Very high3 Ų348.8 Ų48.82%0.01625%0.247CC..Hα-helixtrans-66.8-39.1176.2-173.473.4000112.7R9 L36 A38 W43 R44 R128R9-D40 IonicContact CZ-OD1 3.05Å; R9-D40 IonicContact CZ-OD2 3.58Å; R9-D40 IonicContact NE-OD1 2.61Å; R9-D40 IonicContact NE-OD2 2.7Å; R9-D40 PolarHBondContact NE-OD2 3.36Å; R9-D40 IonicContact NH2-OD1 2.89Å; R9-D40 PolarHBondContact NH2-OD1 3.48Å; R9-D40 IonicContact NH2-OD2 3.53Å; R9-D40 PolarHBondContact NH2-OD2 3.47Å; L36-D40 WeakPolarHBondContact O-CB 3.47Å; L36-D40 PolarHBondContact O-N 2.99Å; A38-D40 VanDerWaalsContact C-N 3.34Å; A38-D40 PolarHBondContact O-N 3.26Å; D40-W43 PolarHBondContact O-N 3.08Å; D40-R44 WeakPolarHBondContact O-CB 3.4Å; D40-R44 WeakPolarHBondContact O-CG 3.47Å; D40-R44 PolarHBondContact O-N 3.21Å; D40-R44 IonicContact OD2-CZ 3.68Å; D40-R44 IonicContact OD2-NE 3.16Å; D40-R44 PolarHBondContact OD2-NE 3.24Å; D40-R44 IonicContact OD2-NH2 2.87Å; D40-R128 HydrophobicContact CB-CG 4.47Å; D40-R128 WeakPolarHBondContact OD1-CD 3.28Å; D40-R128 IonicContact OD1-CZ 3.56Å; D40-R128 IonicContact OD1-NE 3.73Å; D40-R128 IonicContact OD1-NH1 3.68Å; D40-R128 PolarHBondContact OD1-NH1 3.26Å
41T97.2Very high96.4Very high48 Ų4850.9 Ų50.929%0.29426%0.257SS..Hα-helixtrans-63.3-46.1176.8-620000110.8V37 A38 R44 K45V37-T41 WeakPolarHBondContact O-CB 3.46Å; V37-T41 PolarHBondContact O-N 3.36Å; V37-T41 PolarHBondContact O-OG1 3.28Å; A38-T41 PolarHBondContact O-N 3.32Å; T41-R44 PolarHBondContact O-N 3.18Å; T41-K45 WeakPolarHBondContact O-CG 3.3Å; T41-K45 PolarHBondContact O-N 3.12Å; T41-K45 VanDerWaalsContact O-N 3.13Å
42E97.1Very high96.2Very high86 Ų8650.1 Ų50.140%0.40225%0.248SC..Hα-helixtrans-68.6-39178.3-160.556-147.900111.7A38 A39 R44 K45 C46 L124A38-E42 PolarHBondContact O-N 3.39Å; A39-E42 PolarHBondContact O-N 3.15Å; E42-R44 VanDerWaalsContact C-N 3.31Å; E42-R44 PolarHBondContact O-N 2.91Å; E42-K45 PolarHBondContact O-N 3.11Å; E42-K45 WeakPolarHBondContact OE2-CD 3.47Å; E42-K45 IonicContact OE2-NZ 3.63Å; E42-K45 PolarHBondContact OE2-NZ 2.85Å; E42-C46 VanDerWaalsContact O-CB 3.31Å; E42-C46 WeakPolarHBondContact O-CB 3.4Å; E42-C46 PolarHBondContact O-N 2.99Å; E42-L124 HydrophobicContact CB-CD1 4.15Å; E42-L124 HydrophobicContact CB-CD2 4.22Å; E42-L124 HydrophobicContact CG-CD1 3.93Å; E42-L124 HydrophobicContact CG-CD2 4.33Å
43W97.6Very high96.1Very high21 Ų2149 Ų498%0.0824%0.242CC..Hα-helixtrans-59.9-40.7173.5178.993.7000112.1A39 D40 C46 R47 L124 R128A39-W43 VanDerWaalsContact O-CB 3.22Å; A39-W43 WeakPolarHBondContact O-CB 3.41Å; A39-W43 PolarHBondContact O-N 3.31Å; D40-W43 PolarHBondContact O-N 3.08Å; W43-C46 PolarHBondContact O-N 2.73Å; W43-R47 WeakPolarHBondContact O-CB 3.37Å; W43-R47 PolarHBondContact O-N 2.87Å; W43-L124 HydrophobicContact CB-CB 4.06Å; W43-R128 VanDerWaalsContact CD2-NH1 3.29Å
44R95.9Very high95.9Very high79 Ų7952 Ų5230%0.29826%0.258SS..Hα-helixtrans-66.3-40.3178-78.2-171.1-71.7155-0.4112.1D11 D40 T41 E42 R47 F48D11-R44 VanDerWaalsContact CG-NH1 3.26Å; D11-R44 IonicContact OD1-CZ 2.71Å; D11-R44 IonicContact OD1-NH1 3.74Å; D11-R44 PolarHBondContact OD1-NH1 2.79Å; D11-R44 IonicContact OD1-NH2 2.76Å; D11-R44 IonicContact OD2-NH1 3.58Å; D11-R44 PolarHBondContact OD2-NH1 3.36Å; D11-R44 VanDerWaalsContact OD2-NH1 3.16Å; D40-R44 WeakPolarHBondContact O-CB 3.4Å; D40-R44 WeakPolarHBondContact O-CG 3.47Å; D40-R44 PolarHBondContact O-N 3.21Å; D40-R44 IonicContact OD2-CZ 3.68Å; D40-R44 IonicContact OD2-NE 3.16Å; D40-R44 PolarHBondContact OD2-NE 3.24Å; D40-R44 IonicContact OD2-NH2 2.87Å; T41-R44 PolarHBondContact O-N 3.18Å; E42-R44 VanDerWaalsContact C-N 3.31Å; E42-R44 PolarHBondContact O-N 2.91Å; R44-R47 PolarHBondContact O-N 3.23Å; R44-F48 PolarHBondContact O-N 3.1Å
45K95.4Very high95.8Very high111 Ų11154.7 Ų54.748%0.48327%0.266SS..Hα-helixtrans-62.5-48.7172.6-67.4174.8-166.9161.40111.2T41 E42 R47 F48 T49T41-K45 WeakPolarHBondContact O-CG 3.3Å; T41-K45 PolarHBondContact O-N 3.12Å; T41-K45 VanDerWaalsContact O-N 3.13Å; E42-K45 PolarHBondContact O-N 3.11Å; E42-K45 WeakPolarHBondContact OE2-CD 3.47Å; E42-K45 IonicContact OE2-NZ 3.63Å; E42-K45 PolarHBondContact OE2-NZ 2.85Å; K45-R47 PolarHBondContact O-N 3.37Å; K45-F48 WeakPolarHBondContact O-CB 3.37Å; K45-F48 PolarHBondContact O-N 2.98Å; K45-T49 PolarHBondContact O-N 2.88Å; K45-T49 PolarHBondContact O-OG1 3.33Å
46C95.3Very high95.7Very high13 Ų1350.4 Ų50.49%0.08825%0.248CC..Hα-helixtrans-57.1-40.1177.9-173.40000111.5E42 W43 T49 A50 T117 L124E42-C46 VanDerWaalsContact O-CB 3.31Å; E42-C46 WeakPolarHBondContact O-CB 3.4Å; E42-C46 PolarHBondContact O-N 2.99Å; W43-C46 PolarHBondContact O-N 2.73Å; C46-T49 PolarHBondContact O-N 3.48Å; C46-A50 WeakPolarHBondContact O-CB 3.36Å; C46-A50 PolarHBondContact O-N 2.9Å; C46-T117 WeakPolarHBondContact O-CG2 3.39Å; C46-T117 VanDerWaalsContact SG-CG2 3.51Å; C46-T117 PolarHBondContact SG-O 3.39Å; C46-L124 HydrophobicContact CB-CD1 4.24Å
47R93.9Very high95.5Very high124 Ų12453.4 Ų53.447%0.46826%0.261SS..Hα-helixtrans-65.4-41.6174.1-175.1163.1-179.7144.2-0.7113W43 R44 K45 A50 D51W43-R47 WeakPolarHBondContact O-CB 3.37Å; W43-R47 PolarHBondContact O-N 2.87Å; R44-R47 PolarHBondContact O-N 3.23Å; K45-R47 PolarHBondContact O-N 3.37Å; R47-A50 PolarHBondContact O-N 3.41Å; R47-D51 PolarHBondContact O-N 3.4Å
48F94.6Very high95.4Very high127 Ų12756.7 Ų56.756%0.55728%0.278SS*.Hα-helixtrans-61.4-45.6174.8178.5-99.1000111.7R44 K45 A50 D51 N52R44-F48 PolarHBondContact O-N 3.1Å; K45-F48 WeakPolarHBondContact O-CB 3.37Å; K45-F48 PolarHBondContact O-N 2.98Å; F48-A50 PolarHBondContact O-N 3.48Å; F48-D51 PolarHBondContact O-N 2.85Å; F48-N52 WeakPolarHBondContact CE1-ND2 3.37Å; F48-N52 WeakPolarHBondContact CZ-ND2 3.27Å; F48-N52 PolarHBondContact O-N 3.16Å; F48-N52 VanDerWaalsContact O-N 3.08Å
49T94.8Very high95.3Very high29 Ų2955.9 Ų55.918%0.17826%0.264CS..Hα-helixtrans-59.8-44.1173.6-68.60000111.5K45 C46 D51 N52 L53 E88 T117K45-T49 PolarHBondContact O-N 2.88Å; K45-T49 PolarHBondContact O-OG1 3.33Å; C46-T49 PolarHBondContact O-N 3.48Å; T49-D51 VanDerWaalsContact C-N 3.33Å; T49-D51 PolarHBondContact O-N 3.1Å; T49-N52 PolarHBondContact O-N 2.85Å; T49-L53 HydrophobicContact CG2-CD1 3.75Å; T49-L53 HydrophobicContact CG2-CG 4.21Å; T49-L53 WeakPolarHBondContact O-CB 3.47Å; T49-L53 VanDerWaalsContact O-CG 3.3Å; T49-L53 WeakPolarHBondContact O-CG 3.31Å; T49-L53 PolarHBondContact O-N 3.41Å; T49-E88 VanDerWaalsContact CG2-CD 3.45Å; T49-E88 HydrophobicContact CG2-CG 4.23Å; T49-E88 VanDerWaalsContact CG2-OE1 3.28Å; T49-E88 WeakPolarHBondContact CG2-OE1 3.46Å; T49-E88 PolarHBondContact OG1-OE2 3.46Å; T49-T117 HydrophobicContact CG2-CG2 4.09Å
50A92.6Very high95.2Very high6 Ų655.6 Ų55.65%0.0526%0.262CS..Hα-helixtrans-59.8-41.5176.600000112.4C46 R47 F48 N54 T117C46-A50 WeakPolarHBondContact O-CB 3.36Å; C46-A50 PolarHBondContact O-N 2.9Å; R47-A50 PolarHBondContact O-N 3.41Å; F48-A50 PolarHBondContact O-N 3.48Å; A50-N54 WeakPolarHBondContact O-CB 3.01Å; A50-N54 PolarHBondContact O-N 3.02Å; A50-N54 PolarHBondContact O-ND2 3.14Å; A50-T117 HydrophobicContact CB-CG2 3.86Å
51D93.1Very high95.1Very high80 Ų8057.3 Ų57.343%0.42827%0.274SS..Hα-helixtrans-64.6-39.8177.3-72.6-21.4000111.5R47 F48 T49 K55R47-D51 PolarHBondContact O-N 3.4Å; F48-D51 PolarHBondContact O-N 2.85Å; T49-D51 VanDerWaalsContact C-N 3.33Å; T49-D51 PolarHBondContact O-N 3.1Å; D51-K55 WeakPolarHBondContact O-CG 3.45Å; D51-K55 PolarHBondContact O-N 3.46Å; D51-K55 VanDerWaalsContact O-N 3.11Å
52N94.8Very high95Very high22 Ų2261 Ų6112%0.11829%0.287CS..Hα-helixtrans-68.8-44.7176.9-67.9-19000112.1F48 T49 N54 K55 A56 E88F48-N52 WeakPolarHBondContact CE1-ND2 3.37Å; F48-N52 WeakPolarHBondContact CZ-ND2 3.27Å; F48-N52 PolarHBondContact O-N 3.16Å; F48-N52 VanDerWaalsContact O-N 3.08Å; T49-N52 PolarHBondContact O-N 2.85Å; N52-N54 VanDerWaalsContact C-N 3.3Å; N52-N54 PolarHBondContact O-N 2.62Å; N52-K55 WeakPolarHBondContact O-CB 3.28Å; N52-K55 PolarHBondContact O-N 3.35Å; N52-K55 VanDerWaalsContact O-N 3.12Å; N52-A56 WeakPolarHBondContact O-CB 3.41Å; N52-A56 PolarHBondContact O-N 2.96Å; N52-E88 HydrophobicContact CB-CB 4.34Å
53L95.1Very high94.8Very high4 Ų457.5 Ų57.52%0.02127%0.271CS..Hα-helixtrans-61.7-37.6176.1-68.8171.6000112.1T49 A56 K57 L87 E88 V110 A113 V114T49-L53 HydrophobicContact CG2-CD1 3.75Å; T49-L53 HydrophobicContact CG2-CG 4.21Å; T49-L53 WeakPolarHBondContact O-CB 3.47Å; T49-L53 VanDerWaalsContact O-CG 3.3Å; T49-L53 WeakPolarHBondContact O-CG 3.31Å; T49-L53 PolarHBondContact O-N 3.41Å; L53-A56 WeakPolarHBondContact O-CB 3.41Å; L53-A56 PolarHBondContact O-N 3.22Å; L53-K57 WeakPolarHBondContact O-CB 3.26Å; L53-K57 PolarHBondContact O-N 3.32Å; L53-L87 HydrophobicContact CD2-CB 3.86Å; L53-E88 HydrophobicContact CD2-CG 4.01Å; L53-E88 HydrophobicContact CG-CG 4.23Å; L53-V110 WeakPolarHBondContact O-CG1 3.5Å; L53-A113 HydrophobicContact CD1-CB 3.98Å; L53-A113 HydrophobicContact CD2-CB 4.07Å; L53-V114 HydrophobicContact CB-CG2 3.61Å; L53-V114 HydrophobicContact CD1-CG2 4.49Å
54N93.5Very high94.6Very high61 Ų6157.6 Ų57.633%0.32627%0.273SS..Hα-helixtrans-66.2-38.9174.2-81.9-53.4000112.5A50 N52 K57 N58A50-N54 WeakPolarHBondContact O-CB 3.01Å; A50-N54 PolarHBondContact O-N 3.02Å; A50-N54 PolarHBondContact O-ND2 3.14Å; N52-N54 VanDerWaalsContact C-N 3.3Å; N52-N54 PolarHBondContact O-N 2.62Å; N54-K57 PolarHBondContact O-N 3Å; N54-N58 VanDerWaalsContact O-CG 3.31Å; N54-N58 PolarHBondContact O-N 3.17Å; N54-N58 VanDerWaalsContact O-N 3.1Å; N54-N58 PolarHBondContact O-ND2 3.05Å
55K94.9Very high94.5Very high135 Ų13555.8 Ų55.859%0.58728%0.279SS*.Hα-helixtrans-62.3-45.7171.9-69.7169.3-166.8163.40110.9D51 N52 K57 N58 L59D51-K55 WeakPolarHBondContact O-CG 3.45Å; D51-K55 PolarHBondContact O-N 3.46Å; D51-K55 VanDerWaalsContact O-N 3.11Å; N52-K55 WeakPolarHBondContact O-CB 3.28Å; N52-K55 PolarHBondContact O-N 3.35Å; N52-K55 VanDerWaalsContact O-N 3.12Å; K55-K57 PolarHBondContact O-N 3.19Å; K55-N58 PolarHBondContact O-N 3Å; K55-L59 WeakPolarHBondContact O-CB 3.49Å; K55-L59 PolarHBondContact O-N 2.71Å
56A94.7Very high94.5Very high4 Ų454.8 Ų54.83%0.03328%0.276CS..Hα-helixtrans-59.3-45177.200000112N52 L53 N58 L59 C60 L87 L90 V110N52-A56 WeakPolarHBondContact O-CB 3.41Å; N52-A56 PolarHBondContact O-N 2.96Å; L53-A56 WeakPolarHBondContact O-CB 3.41Å; L53-A56 PolarHBondContact O-N 3.22Å; A56-N58 PolarHBondContact O-N 3.16Å; A56-L59 WeakPolarHBondContact O-CB 3.28Å; A56-L59 PolarHBondContact O-N 3.18Å; A56-L59 VanDerWaalsContact O-N 3.16Å; A56-C60 PolarHBondContact O-N 3.37Å; A56-C60 PolarHBondContact O-SG 3.02Å; A56-C60 VanDerWaalsContact O-SG 3.39Å; A56-L87 VanDerWaalsContact CB-O 3.3Å; A56-L87 WeakPolarHBondContact CB-O 3.34Å; A56-L90 HydrophobicContact CB-CB 4.24Å; A56-L90 HydrophobicContact CB-CD1 4.17Å; A56-V110 HydrophobicContact CB-CG1 4.4Å; A56-V110 HydrophobicContact CB-CG2 4.49Å
57K95.2Very high94.4Very high63 Ų6355.2 Ų55.227%0.27428%0.277SS..Hα-helixtrans-57.2-46.1174.9177.8174.5176.4153.70112.6L53 N54 K55 L59 S61 V110 D111L53-K57 WeakPolarHBondContact O-CB 3.26Å; L53-K57 PolarHBondContact O-N 3.32Å; N54-K57 PolarHBondContact O-N 3Å; K55-K57 PolarHBondContact O-N 3.19Å; K57-L59 VanDerWaalsContact C-N 3.33Å; K57-S61 WeakPolarHBondContact O-CB 3.27Å; K57-S61 PolarHBondContact O-N 2.87Å; K57-S61 PolarHBondContact O-OG 3Å; K57-V110 HydrophobicContact CB-CG1 3.78Å; K57-D111 VanDerWaalsContact CD-OD1 3.27Å; K57-D111 WeakPolarHBondContact CD-OD1 3.4Å; K57-D111 WeakPolarHBondContact CE-OD1 3.31Å; K57-D111 IonicContact NZ-OD1 3.37Å; K57-D111 PolarHBondContact NZ-OD1 3.3Å
58N95.6Very high94.2Very high108 Ų10854.6 Ų54.658%0.57828%0.28SS*.Hα-helixtrans-64.8-40177.5-72-28000111.2N54 K55 A56 S61 K62N54-N58 VanDerWaalsContact O-CG 3.31Å; N54-N58 PolarHBondContact O-N 3.17Å; N54-N58 VanDerWaalsContact O-N 3.1Å; N54-N58 PolarHBondContact O-ND2 3.05Å; K55-N58 PolarHBondContact O-N 3Å; A56-N58 PolarHBondContact O-N 3.16Å; N58-S61 PolarHBondContact O-N 2.7Å; N58-K62 WeakPolarHBondContact O-CB 3.38Å; N58-K62 PolarHBondContact O-N 2.77Å
59L95.6Very high94.2Very high43 Ų4357.5 Ų57.523%0.22529%0.293CS..Hα-helixtrans-65-47.6177.8-166.770.1000111.8K55 A56 K57 S61 K62 S63 L90 A92 L95K55-L59 WeakPolarHBondContact O-CB 3.49Å; K55-L59 PolarHBondContact O-N 2.71Å; A56-L59 WeakPolarHBondContact O-CB 3.28Å; A56-L59 PolarHBondContact O-N 3.18Å; A56-L59 VanDerWaalsContact O-N 3.16Å; K57-L59 VanDerWaalsContact C-N 3.33Å; L59-S61 VanDerWaalsContact C-N 3.29Å; L59-S61 PolarHBondContact O-N 3.02Å; L59-K62 WeakPolarHBondContact O-CB 3.34Å; L59-K62 PolarHBondContact O-N 3.43Å; L59-K62 VanDerWaalsContact O-N 3.15Å; L59-S63 PolarHBondContact O-N 3.04Å; L59-S63 PolarHBondContact O-OG 3.3Å; L59-L90 WeakPolarHBondContact CD2-O 3.28Å; L59-A92 HydrophobicContact CD1-CB 4.45Å; L59-L95 HydrophobicContact CB-CD1 4.19Å; L59-L95 HydrophobicContact CD2-CD1 3.71Å; L59-L95 HydrophobicContact CG-CD1 3.66Å
60C94.4Very high94.1Very high0 Ų063.1 Ų63.10%032%0.315CS..Hα-helixtrans-55.5-45173.1-710000111.7A56 K62 S63 I64 I103 R107A56-C60 PolarHBondContact O-N 3.37Å; A56-C60 PolarHBondContact O-SG 3.02Å; A56-C60 VanDerWaalsContact O-SG 3.39Å; C60-K62 VanDerWaalsContact C-N 3.34Å; C60-K62 PolarHBondContact O-N 3.47Å; C60-S63 PolarHBondContact O-N 3.28Å; C60-I64 WeakPolarHBondContact O-CD1 3.4Å; C60-I64 VanDerWaalsContact O-CG1 3.24Å; C60-I64 WeakPolarHBondContact O-CG1 3.46Å; C60-I64 PolarHBondContact O-N 2.84Å; C60-I103 HydrophobicContact CB-CG2 4.14Å; C60-R107 HydrophobicContact CB-CB 4.04Å; C60-R107 HydrophobicContact CB-CG 4.39Å
61S95.2Very high94Very high39 Ų3971.9 Ų71.927%0.27335%0.352SS..Hα-helixtrans-62.8-40.6178.6-60.50000112.2K57 N58 L59 G65 R107K57-S61 WeakPolarHBondContact O-CB 3.27Å; K57-S61 PolarHBondContact O-N 2.87Å; K57-S61 PolarHBondContact O-OG 3Å; N58-S61 PolarHBondContact O-N 2.7Å; L59-S61 VanDerWaalsContact C-N 3.29Å; L59-S61 PolarHBondContact O-N 3.02Å; S61-G65 PolarHBondContact O-N 2.88Å; S61-G65 VanDerWaalsContact O-N 3.13Å; S61-R107 PolarHBondContact OG-NH1 3.41Å
62K95.8Very high93.8Very high127 Ų12771 Ų7155%0.55235%0.345SS*.Hα-helixtrans-64.7-49175.2-176.7-179.6172.2-174.90111.6N58 L59 C60 I64 G65 E66N58-K62 WeakPolarHBondContact O-CB 3.38Å; N58-K62 PolarHBondContact O-N 2.77Å; L59-K62 WeakPolarHBondContact O-CB 3.34Å; L59-K62 PolarHBondContact O-N 3.43Å; L59-K62 VanDerWaalsContact O-N 3.15Å; C60-K62 VanDerWaalsContact C-N 3.34Å; C60-K62 PolarHBondContact O-N 3.47Å; K62-I64 VanDerWaalsContact C-N 3.34Å; K62-I64 PolarHBondContact O-N 2.92Å; K62-G65 PolarHBondContact O-N 2.88Å; K62-G65 VanDerWaalsContact O-N 3.11Å; K62-E66 WeakPolarHBondContact CE-OE1 3.5Å; K62-E66 WeakPolarHBondContact O-CG 3.38Å; K62-E66 PolarHBondContact O-N 3Å
63S93.9Very high93.1Very high12 Ų1275.5 Ų75.58%0.08438%0.375CS..Hα-helixtrans-60.9-40.7179.1-63.30000112.3L59 C60 G65 E66 K67L59-S63 PolarHBondContact O-N 3.04Å; L59-S63 PolarHBondContact O-OG 3.3Å; C60-S63 PolarHBondContact O-N 3.28Å; S63-G65 PolarHBondContact O-N 3.44Å; S63-E66 PolarHBondContact O-N 3.39Å; S63-K67 WeakPolarHBondContact O-CG 3.42Å; S63-K67 PolarHBondContact O-N 2.92Å
64I93.3Very high92.5Very high22 Ų2278.9 Ų78.911%0.11340%0.396CS..Hα-helixtrans-58.8-48.1172.8-69.8164.5000110.4C60 K62 E66 K67 M68 L100 I103 K104C60-I64 WeakPolarHBondContact O-CD1 3.4Å; C60-I64 VanDerWaalsContact O-CG1 3.24Å; C60-I64 WeakPolarHBondContact O-CG1 3.46Å; C60-I64 PolarHBondContact O-N 2.84Å; K62-I64 VanDerWaalsContact C-N 3.34Å; K62-I64 PolarHBondContact O-N 2.92Å; I64-E66 PolarHBondContact O-N 2.89Å; I64-K67 PolarHBondContact O-N 2.99Å; I64-M68 HydrophobicContact CG2-CG 4.24Å; I64-M68 WeakPolarHBondContact O-CB 3.39Å; I64-M68 WeakPolarHBondContact O-CG 3.34Å; I64-M68 PolarHBondContact O-N 3.3Å; I64-L100 HydrophobicContact CB-CD2 4.45Å; I64-L100 HydrophobicContact CG2-CD2 4.14Å; I64-I103 HydrophobicContact CD1-CG2 3.97Å; I64-I103 HydrophobicContact CG1-CB 4.18Å; I64-I103 HydrophobicContact CG1-CG2 3.6Å; I64-K104 HydrophobicContact CD1-CG 4.03Å
65G94Very high92.1Very high42 Ų4277 Ų7743%0.43339%0.391SS..Hα-helixtrans-60.7-42.2179.200000113.2S61 K62 S63 K69S61-G65 PolarHBondContact O-N 2.88Å; S61-G65 VanDerWaalsContact O-N 3.13Å; K62-G65 PolarHBondContact O-N 2.88Å; K62-G65 VanDerWaalsContact O-N 3.11Å; S63-G65 PolarHBondContact O-N 3.44Å; G65-K69 WeakPolarHBondContact O-CB 3.28Å; G65-K69 PolarHBondContact O-N 2.91Å
66E93.8Very high91.6Very high90 Ų9078.2 Ų78.242%0.42140%0.404SS..Hα-helixtrans-65.9-46.3178.3-72.4178.5-179.500112.5K62 S63 I64 K69 K70K62-E66 WeakPolarHBondContact CE-OE1 3.5Å; K62-E66 WeakPolarHBondContact O-CG 3.38Å; K62-E66 PolarHBondContact O-N 3Å; S63-E66 PolarHBondContact O-N 3.39Å; I64-E66 PolarHBondContact O-N 2.89Å; E66-K69 PolarHBondContact O-N 3.1Å; E66-K70 WeakPolarHBondContact O-CG 3.22Å; E66-K70 PolarHBondContact O-N 2.86Å
67K93Very high91.2Very high21 Ų2181.7 Ų81.79%0.09142%0.422CS..Hα-helixtrans-66.8-39.2178.5-71.4-173.1172.9-100.60112.4S63 I64 K69 K70 K71 E72 S96 L98 L100 I103S63-K67 WeakPolarHBondContact O-CG 3.42Å; S63-K67 PolarHBondContact O-N 2.92Å; I64-K67 PolarHBondContact O-N 2.99Å; K67-K69 VanDerWaalsContact C-N 3.34Å; K67-K69 PolarHBondContact O-N 2.91Å; K67-K70 CarbonylContact O-C 3.53Å; K67-K70 PolarHBondContact O-N 3.47Å; K67-K71 PolarHBondContact O-N 3.24Å; K67-K71 VanDerWaalsContact O-N 3.1Å; K67-E72 HydrophobicContact CB-CB 4.38Å; K67-E72 WeakPolarHBondContact CD-OE2 3.39Å; K67-E72 WeakPolarHBondContact CE-OE2 3.42Å; K67-E72 VanDerWaalsContact CG-OE2 3.3Å; K67-E72 WeakPolarHBondContact CG-OE2 3.4Å; K67-E72 IonicContact NZ-OE2 2.78Å; K67-E72 PolarHBondContact NZ-OE2 2.92Å; K67-E72 PolarHBondContact O-N 2.88Å; K67-S96 PolarHBondContact NZ-O 2.87Å; K67-L98 WeakPolarHBondContact CE-O 3.35Å; K67-L98 PolarHBondContact NZ-O 3.34Å; K67-L100 HydrophobicContact CB-CD1 4.45Å; K67-L100 HydrophobicContact CB-CD2 3.78Å; K67-L100 HydrophobicContact CB-CG 4.01Å; K67-I103 HydrophobicContact CD-CD1 3.71Å
68M91.6Very high90.7Very high111 Ų11185 Ų8555%0.54744%0.438SS..Hα-helixtrans-61.2-41.9173-73.7-71.5-72.300111.7I64 K70 K71 L100I64-M68 HydrophobicContact CG2-CG 4.24Å; I64-M68 WeakPolarHBondContact O-CB 3.39Å; I64-M68 WeakPolarHBondContact O-CG 3.34Å; I64-M68 PolarHBondContact O-N 3.3Å; M68-K70 VanDerWaalsContact C-N 3.31Å; M68-K70 PolarHBondContact O-N 3.3Å; M68-K71 PolarHBondContact O-N 2.85Å; M68-L100 HydrophobicContact CG-CD1 4.31Å; M68-L100 HydrophobicContact CG-CD2 3.97Å; M68-L100 HydrophobicContact SD-CD1 3.82Å; M68-L100 HydrophobicContact SD-CD2 4.34Å
69K93.8Very high90.4Very high189 Ų18982.9 Ų82.982%0.82243%0.432SS*.Hα-helixtrans-64.7-35.4176.9-171.2178.5-179.4-1790112.3G65 E66 K67 K71G65-K69 WeakPolarHBondContact O-CB 3.28Å; G65-K69 PolarHBondContact O-N 2.91Å; E66-K69 PolarHBondContact O-N 3.1Å; K67-K69 VanDerWaalsContact C-N 3.34Å; K67-K69 PolarHBondContact O-N 2.91Å; K69-K71 VanDerWaalsContact C-N 3.29Å
70K92.3Very high90Very high146 Ų14682.4 Ų82.464%0.63543%0.431SS*.Hα-helixtrans-79.6-5.2176.4-69.9177.6-176.8175.50114.1E66 K67 M68 E72E66-K70 WeakPolarHBondContact O-CG 3.22Å; E66-K70 PolarHBondContact O-N 2.86Å; K67-K70 CarbonylContact O-C 3.53Å; K67-K70 PolarHBondContact O-N 3.47Å; M68-K70 VanDerWaalsContact C-N 3.31Å; M68-K70 PolarHBondContact O-N 3.3Å; K70-E72 HydrophobicContact CB-CG 4.08Å; K70-E72 WeakPolarHBondContact CD-OE1 3.49Å; K70-E72 PolarHBondContact O-N 3.18Å
71K90.5Very high89.5Confident190 Ų19083.8 Ų83.883%0.82644%0.44SS*.THydrogen-bonded Turntrans54.637.1-175.1-56.8-178.4178.6-179.40112.8K67 M68 K69K67-K71 PolarHBondContact O-N 3.24Å; K67-K71 VanDerWaalsContact O-N 3.1Å; M68-K71 PolarHBondContact O-N 2.85Å; K69-K71 VanDerWaalsContact C-N 3.29Å
72E88.1Confident89Confident63 Ų6389.3 Ų89.329%0.29446%0.462SS..  trans-62.4148.4174.6-72.6179.9-153.800110.7K67 K70 V74K67-E72 HydrophobicContact CB-CB 4.38Å; K67-E72 WeakPolarHBondContact CD-OE2 3.39Å; K67-E72 WeakPolarHBondContact CE-OE2 3.42Å; K67-E72 VanDerWaalsContact CG-OE2 3.3Å; K67-E72 WeakPolarHBondContact CG-OE2 3.4Å; K67-E72 IonicContact NZ-OE2 2.78Å; K67-E72 PolarHBondContact NZ-OE2 2.92Å; K67-E72 PolarHBondContact O-N 2.88Å; K70-E72 HydrophobicContact CB-CG 4.08Å; K70-E72 WeakPolarHBondContact CD-OE1 3.49Å; K70-E72 PolarHBondContact O-N 3.18Å; E72-V74 PolarHBondContact O-N 3.49Å
73P80.7Confident88.4Confident115 Ų11590 Ų9075%0.74747%0.467SS*.  trans-55.1137.5176.1-22.432.3000111.2G75P73-G75 VanDerWaalsContact C-N 3.29Å; P73-G75 PolarHBondContact O-N 3.23Å
74V82.8Confident87.9Confident76 Ų7689.4 Ų89.446%0.46146%0.463SS..  trans-65.7-36.3-174.9179.70000111.4E72 L100 T101E72-V74 PolarHBondContact O-N 3.49Å; V74-L100 HydrophobicContact CG1-CB 4.29Å; V74-L100 HydrophobicContact CG2-CD1 4.29Å; V74-L100 PolarHBondContact O-N 2.87Å; V74-T101 WeakPolarHBondContact CG1-OG1 3.44Å; V74-T101 PolarHBondContact O-N 2.88Å; V74-T101 VanDerWaalsContact O-N 3.08Å; V74-T101 PolarHBondContact O-OG1 3.48Å
75G84.6Confident87.6Confident21 Ų2194.2 Ų94.222%0.21648%0.484CS..  trans75.2145.6-174.900000111.7P73 T101P73-G75 VanDerWaalsContact C-N 3.29Å; P73-G75 PolarHBondContact O-N 3.23Å; G75-T101 VanDerWaalsContact O-CB 3.27Å; G75-T101 WeakPolarHBondContact O-CB 3.48Å; G75-T101 PolarHBondContact O-OG1 2.69Å
76D84.3Confident87.5Confident160 Ų16096.1 Ų96.186%0.85649%0.485SS*.SBendtrans-107.1-8.6-173.1-45.8-19.6000111.7
77D86.7Confident87.4Confident77 Ų7793.3 Ų93.341%0.41247%0.472SS..  trans-78.6119.1179.4-176.310.7000110.6S79 T101 Q102D77-S79 WeakPolarHBondContact OD1-CB 3.19Å; D77-S79 PolarHBondContact OD1-N 3.15Å; D77-S79 PolarHBondContact OD1-OG 3.12Å; D77-S79 PolarHBondContact OD2-OG 2.96Å; D77-T101 WeakPolarHBondContact O-CG2 3.3Å; D77-Q102 VanDerWaalsContact O-CG 3.26Å; D77-Q102 WeakPolarHBondContact O-CG 3.32Å; D77-Q102 PolarHBondContact OD2-NE2 3.3Å; D77-Q102 VanDerWaalsContact OD2-NE2 3.16Å
78E85.3Confident87.2Confident132 Ų13295.7 Ų95.762%0.61748%0.484SS*.  trans-95.8-1.6176.6-63.3-166.7165.600113.1T101E78-T101 HydrophobicContact CB-CG2 4.5Å; E78-T101 HydrophobicContact CG-CG2 3.69Å
79S88.6Confident87.2Confident65 Ų6595.6 Ų95.646%0.45549%0.486SS..  trans-67.7142.2178.872.70000111.2D77 P81 Q102D77-S79 WeakPolarHBondContact OD1-CB 3.19Å; D77-S79 PolarHBondContact OD1-N 3.15Å; D77-S79 PolarHBondContact OD1-OG 3.12Å; D77-S79 PolarHBondContact OD2-OG 2.96Å; S79-P81 WeakPolarHBondContact O-CD 3.43Å; S79-Q102 WeakPolarHBondContact O-CG 3.48Å; S79-Q102 PolarHBondContact O-NE2 2.73Å
80V86.9Confident87Confident33 Ų3387.3 Ų87.320%0.245%0.45CS..  trans-94.3113.9176.3177.50000108.2A84 Q85 K105 V106 L109V80-A84 HydrophobicContact CG1-CB 4.19Å; V80-Q85 HydrophobicContact CG1-CG 4.31Å; V80-K105 HydrophobicContact CG2-CB 4.32Å; V80-K105 HydrophobicContact CG2-CG 3.73Å; V80-V106 HydrophobicContact CG1-CG2 3.87Å; V80-V106 HydrophobicContact CG2-CG2 4.3Å; V80-L109 HydrophobicContact CG2-CD1 3.85Å
81P85.5Confident87Confident29 Ų2983.3 Ų83.319%0.18844%0.438CS..  trans-62.4153.1179.6-26.740000112S79 E83 A84 Q85 L98S79-P81 WeakPolarHBondContact O-CD 3.43Å; P81-E83 VanDerWaalsContact CB-OE2 3.28Å; P81-E83 WeakPolarHBondContact CB-OE2 3.2Å; P81-E83 PolarHBondContact O-N 3.4Å; P81-A84 CarbonylContact O-C 3.52Å; P81-A84 WeakPolarHBondContact O-CA 3.47Å; P81-A84 PolarHBondContact O-N 3.06Å; P81-Q85 PolarHBondContact O-N 2.68Å; P81-L98 HydrophobicContact CB-CD2 4.26Å; P81-L98 HydrophobicContact CG-CD2 3.5Å; P81-L98 VanDerWaalsContact CG-CD2 3.5Å
82E84.4Confident87.1Confident155 Ų15577.2 Ų77.272%0.72442%0.423SS*.G310 helixtrans-57.3-37.3-176-162173-174.500111.6A84 Q85E82-A84 PolarHBondContact O-N 3.16Å; E82-Q85 WeakPolarHBondContact O-CB 3.3Å; E82-Q85 PolarHBondContact O-N 2.9Å; E82-Q85 VanDerWaalsContact O-N 3.15Å
83E81.7Confident87.1Confident141 Ų14181.8 Ų81.866%0.65945%0.445SS*.G310 helixtrans-65.4-19.6177.8-5383.9177.200113.2P81 T94P81-E83 VanDerWaalsContact CB-OE2 3.28Å; P81-E83 WeakPolarHBondContact CB-OE2 3.2Å; P81-E83 PolarHBondContact O-N 3.4Å; E83-T94 HydrophobicContact CB-CG2 4.24Å; E83-T94 WeakPolarHBondContact O-CG2 3.45Å
84A84.4Confident87.6Confident0 Ų077.8 Ų77.80%042%0.418CS..G310 helixtrans-107.67.3179.200000113.4V80 P81 E82 L90 T94 L98 V106V80-A84 HydrophobicContact CG1-CB 4.19Å; P81-A84 CarbonylContact O-C 3.52Å; P81-A84 WeakPolarHBondContact O-CA 3.47Å; P81-A84 PolarHBondContact O-N 3.06Å; E82-A84 PolarHBondContact O-N 3.16Å; A84-L90 HydrophobicContact CB-CD2 4.27Å; A84-T94 HydrophobicContact CB-CG2 4.31Å; A84-L98 HydrophobicContact CB-CD1 3.94Å; A84-V106 HydrophobicContact CB-CG2 3.98Å
85Q87.4Confident88Confident122 Ų12274.1 Ų74.157%0.5740%0.396SS*.THydrogen-bonded Turntrans-76.7-31.2176.4-70.5178.89.800112.7V80 P81 E82 L87V80-Q85 HydrophobicContact CG1-CG 4.31Å; P81-Q85 PolarHBondContact O-N 2.68Å; E82-Q85 WeakPolarHBondContact O-CB 3.3Å; E82-Q85 PolarHBondContact O-N 2.9Å; E82-Q85 VanDerWaalsContact O-N 3.15Å; Q85-L87 PolarHBondContact O-N 3.1Å; Q85-L87 VanDerWaalsContact O-N 3.1Å
86N91.4Very high88.1Confident82 Ų8276.5 Ų76.544%0.43941%0.409SS..  trans-79.791.7173.3-175.1-2.6000110.1E88 D89N86-E88 PolarHBondContact O-N 3.34Å; N86-E88 PolarHBondContact OD1-N 3.47Å; N86-D89 PolarHBondContact ND2-OD2 3.06Å; N86-D89 PolarHBondContact O-N 3.02Å
87L91.1Very high88.4Confident31 Ų3174.4 Ų74.416%0.16240%0.402CS..G310 helixtrans-66-22.6-174.6-56.9-178.1000113.9L53 A56 Q85 V106 L109 V110 A113L53-L87 HydrophobicContact CD2-CB 3.86Å; A56-L87 VanDerWaalsContact CB-O 3.3Å; A56-L87 WeakPolarHBondContact CB-O 3.34Å; Q85-L87 PolarHBondContact O-N 3.1Å; Q85-L87 VanDerWaalsContact O-N 3.1Å; L87-V106 HydrophobicContact CD2-CG1 4.19Å; L87-L109 HydrophobicContact CD1-CB 3.97Å; L87-L109 HydrophobicContact CD2-CB 4.3Å; L87-V110 HydrophobicContact CB-CG2 4.21Å; L87-V110 HydrophobicContact CD1-CG2 4.44Å; L87-V110 HydrophobicContact CD2-CG2 4Å; L87-V110 HydrophobicContact CG-CG2 4.44Å; L87-A113 HydrophobicContact CD1-CB 4Å
88E89.2Confident88.6Confident72 Ų7271.1 Ų71.134%0.33638%0.384SS..G310 helixtrans-81.3-25.3-178.4-66.7-174.3-132.400112.8T49 N52 L53 N86T49-E88 VanDerWaalsContact CG2-CD 3.45Å; T49-E88 HydrophobicContact CG2-CG 4.23Å; T49-E88 VanDerWaalsContact CG2-OE1 3.28Å; T49-E88 WeakPolarHBondContact CG2-OE1 3.46Å; T49-E88 PolarHBondContact OG1-OE2 3.46Å; N52-E88 HydrophobicContact CB-CB 4.34Å; L53-E88 HydrophobicContact CD2-CG 4.01Å; L53-E88 HydrophobicContact CG-CG 4.23Å; N86-E88 PolarHBondContact O-N 3.34Å; N86-E88 PolarHBondContact OD1-N 3.47Å
89D90.8Very high88.9Confident108 Ų10866.8 Ų66.858%0.57837%0.367SS*.G310 helixtrans-109.626-176.1-69.5-39.3000113N86 T91N86-D89 PolarHBondContact ND2-OD2 3.06Å; N86-D89 PolarHBondContact O-N 3.02Å; D89-T91 PolarHBondContact O-N 3.16Å
90L90.8Very high89Confident16 Ų1663.9 Ų63.98%0.08435%0.346CS..  trans-65.1122.5177.1-67.7-178.8000111.2A56 L59 A84 T94 V106 V110A56-L90 HydrophobicContact CB-CB 4.24Å; A56-L90 HydrophobicContact CB-CD1 4.17Å; L59-L90 WeakPolarHBondContact CD2-O 3.28Å; A84-L90 HydrophobicContact CB-CD2 4.27Å; L90-T94 HydrophobicContact CD2-CG2 4.33Å; L90-V106 HydrophobicContact CD1-CG1 3.47Å; L90-V106 VanDerWaalsContact CD1-CG1 3.47Å; L90-V106 HydrophobicContact CD2-CG1 4.46Å; L90-V110 HydrophobicContact CD1-CG2 4.05Å
91T92.4Very high89.3Confident62 Ų6263.5 Ų63.538%0.3834%0.344SS..  trans-108.616517775.90000112D89 E93 T94 L95D89-T91 PolarHBondContact O-N 3.16Å; T91-E93 PolarHBondContact O-N 3.34Å; T91-E93 PolarHBondContact OG1-N 3.47Å; T91-T94 PolarHBondContact O-N 2.75Å; T91-T94 PolarHBondContact OG1-N 2.88Å; T91-T94 VanDerWaalsContact OG1-N 3.12Å; T91-T94 PolarHBondContact OG1-OG1 3.18Å; T91-L95 WeakPolarHBondContact O-CG 3.41Å; T91-L95 PolarHBondContact O-N 3.24Å; T91-L95 VanDerWaalsContact O-N 3.1Å
92A91.1Very high89.6Confident62 Ų6262.8 Ų62.851%0.51234%0.338SS..Hα-helixtrans-63.2-32.717600000111.6L59 S96L59-A92 HydrophobicContact CD1-CB 4.45Å; A92-S96 WeakPolarHBondContact O-CB 3.47Å; A92-S96 PolarHBondContact O-N 3.05Å
93E89.7Confident90Very high159 Ų15955.4 Ų55.474%0.74330%0.304SS*.Hα-helixtrans-67-48.7176.9-66.3174-179.400110.4T91 L95 S96T91-E93 PolarHBondContact O-N 3.34Å; T91-E93 PolarHBondContact OG1-N 3.47Å; E93-L95 VanDerWaalsContact C-N 3.28Å; E93-L95 PolarHBondContact O-N 3.25Å; E93-S96 WeakPolarHBondContact O-CB 3.28Å; E93-S96 PolarHBondContact O-N 3.24Å; E93-S96 VanDerWaalsContact O-N 3.08Å; E93-S96 PolarHBondContact O-OG 3.02Å
94T89.8Confident90.5Very high30 Ų3053.4 Ų53.418%0.18429%0.293CS..Hα-helixtrans-55-44.2175.7-47.40000111.5E83 A84 L90 T91 V97 L98E83-T94 HydrophobicContact CB-CG2 4.24Å; E83-T94 WeakPolarHBondContact O-CG2 3.45Å; A84-T94 HydrophobicContact CB-CG2 4.31Å; L90-T94 HydrophobicContact CD2-CG2 4.33Å; T91-T94 PolarHBondContact O-N 2.75Å; T91-T94 PolarHBondContact OG1-N 2.88Å; T91-T94 VanDerWaalsContact OG1-N 3.12Å; T91-T94 PolarHBondContact OG1-OG1 3.18Å; T94-V97 WeakPolarHBondContact O-CG2 3.41Å; T94-L98 WeakPolarHBondContact O-CG 3.39Å
95L91.1Very high91Very high0 Ų057.4 Ų57.40%031%0.31CS..Hα-helixtrans-77.8-20.7-178.9-64.5175.8000113.5L59 T91 E93 V97 L98 I103L59-L95 HydrophobicContact CB-CD1 4.19Å; L59-L95 HydrophobicContact CD2-CD1 3.71Å; L59-L95 HydrophobicContact CG-CD1 3.66Å; T91-L95 WeakPolarHBondContact O-CG 3.41Å; T91-L95 PolarHBondContact O-N 3.24Å; T91-L95 VanDerWaalsContact O-N 3.1Å; E93-L95 VanDerWaalsContact C-N 3.28Å; E93-L95 PolarHBondContact O-N 3.25Å; L95-V97 VanDerWaalsContact C-N 3.32Å; L95-V97 PolarHBondContact O-N 3.47Å; L95-L98 HydrophobicContact CD2-CD1 3.93Å; L95-L98 PolarHBondContact O-N 2.95Å; L95-I103 HydrophobicContact CD2-CG1 4.46Å; L95-I103 HydrophobicContact CD2-CG2 4.41Å; L95-I103 WeakPolarHBondContact O-CD1 3.46Å
96S88.7Confident91.3Very high71 Ų7151.6 Ų51.650%0.49728%0.283SS..Hα-helixtrans-67.7-34-177.272.50000112.8K67 A92 E93 L98K67-S96 PolarHBondContact NZ-O 2.87Å; A92-S96 WeakPolarHBondContact O-CB 3.47Å; A92-S96 PolarHBondContact O-N 3.05Å; E93-S96 WeakPolarHBondContact O-CB 3.28Å; E93-S96 PolarHBondContact O-N 3.24Å; E93-S96 VanDerWaalsContact O-N 3.08Å; E93-S96 PolarHBondContact O-OG 3.02Å; S96-L98 VanDerWaalsContact C-N 3.34Å
97V89.4Confident91.4Very high116 Ų11651.8 Ų51.870%0.70328%0.278SS*.THydrogen-bonded Turntrans-81.7-12.3-178.6-63.30000113.5T94 L95T94-V97 WeakPolarHBondContact O-CG2 3.41Å; L95-V97 VanDerWaalsContact C-N 3.32Å; L95-V97 PolarHBondContact O-N 3.47Å
98L90.8Very high91.6Very high8 Ų854.9 Ų54.94%0.04229%0.294CS..SBendtrans-84.2152.9-179.3-59.5-178.3000112.5K67 P81 A84 T94 L95 S96 Q102 I103 V106K67-L98 WeakPolarHBondContact CE-O 3.35Å; K67-L98 PolarHBondContact NZ-O 3.34Å; P81-L98 HydrophobicContact CB-CD2 4.26Å; P81-L98 HydrophobicContact CG-CD2 3.5Å; P81-L98 VanDerWaalsContact CG-CD2 3.5Å; A84-L98 HydrophobicContact CB-CD1 3.94Å; T94-L98 WeakPolarHBondContact O-CG 3.39Å; L95-L98 HydrophobicContact CD2-CD1 3.93Å; L95-L98 PolarHBondContact O-N 2.95Å; S96-L98 VanDerWaalsContact C-N 3.34Å; L98-Q102 HydrophobicContact CB-CB 4.16Å; L98-Q102 HydrophobicContact CD2-CB 4.48Å; L98-I103 HydrophobicContact CB-CD1 4.12Å; L98-I103 HydrophobicContact CB-CG1 3.57Å; L98-I103 HydrophobicContact CD1-CG1 4.12Å; L98-I103 HydrophobicContact CG-CG1 4.48Å; L98-V106 HydrophobicContact CD1-CG2 4.32Å
99T91.7Very high91.9Very high41 Ų4154.1 Ų54.125%0.25229%0.292SS..  trans-76.5165.2170.469.50000111.7T101 Q102 I103T99-T101 VanDerWaalsContact C-N 3.27Å; T99-T101 PolarHBondContact O-N 3.04Å; T99-Q102 PolarHBondContact O-N 2.85Å; T99-Q102 VanDerWaalsContact OG1-CG 3.3Å; T99-Q102 WeakPolarHBondContact OG1-CG 3.49Å; T99-Q102 PolarHBondContact OG1-N 3.37Å; T99-Q102 PolarHBondContact OG1-OE1 2.72Å; T99-I103 VanDerWaalsContact O-CG1 3.28Å; T99-I103 WeakPolarHBondContact O-CG1 3.36Å; T99-I103 PolarHBondContact O-N 2.87Å
100L91Very high92.1Very high3 Ų349 Ų492%0.01626%0.264CS..Hα-helixtrans-60.4-38.4176.9-84.3165.8000112.1I64 K67 M68 V74 K104I64-L100 HydrophobicContact CB-CD2 4.45Å; I64-L100 HydrophobicContact CG2-CD2 4.14Å; K67-L100 HydrophobicContact CB-CD1 4.45Å; K67-L100 HydrophobicContact CB-CD2 3.78Å; K67-L100 HydrophobicContact CB-CG 4.01Å; M68-L100 HydrophobicContact CG-CD1 4.31Å; M68-L100 HydrophobicContact CG-CD2 3.97Å; M68-L100 HydrophobicContact SD-CD1 3.82Å; M68-L100 HydrophobicContact SD-CD2 4.34Å; V74-L100 HydrophobicContact CG1-CB 4.29Å; V74-L100 HydrophobicContact CG2-CD1 4.29Å; V74-L100 PolarHBondContact O-N 2.87Å; L100-K104 WeakPolarHBondContact O-CB 3.2Å; L100-K104 VanDerWaalsContact O-CG 3.28Å; L100-K104 WeakPolarHBondContact O-CG 3.32Å; L100-K104 PolarHBondContact O-N 2.79Å
101T92.3Very high92.3Very high25 Ų2549.8 Ų49.815%0.15327%0.269CS..Hα-helixtrans-65-45177.6-62.80000111.5V74 G75 D77 E78 T99 K104 K105V74-T101 WeakPolarHBondContact CG1-OG1 3.44Å; V74-T101 PolarHBondContact O-N 2.88Å; V74-T101 VanDerWaalsContact O-N 3.08Å; V74-T101 PolarHBondContact O-OG1 3.48Å; G75-T101 VanDerWaalsContact O-CB 3.27Å; G75-T101 WeakPolarHBondContact O-CB 3.48Å; G75-T101 PolarHBondContact O-OG1 2.69Å; D77-T101 WeakPolarHBondContact O-CG2 3.3Å; E78-T101 HydrophobicContact CB-CG2 4.5Å; E78-T101 HydrophobicContact CG-CG2 3.69Å; T99-T101 VanDerWaalsContact C-N 3.27Å; T99-T101 PolarHBondContact O-N 3.04Å; T101-K104 PolarHBondContact O-N 2.91Å; T101-K105 PolarHBondContact O-N 3.44Å
102Q92.8Very high92.4Very high15 Ų1552.8 Ų52.87%0.0728%0.278CS..Hα-helixtrans-62.9-44.9176.2-68.1173-43.500112.2D77 S79 L98 T99 K104 K105 V106D77-Q102 VanDerWaalsContact O-CG 3.26Å; D77-Q102 WeakPolarHBondContact O-CG 3.32Å; D77-Q102 PolarHBondContact OD2-NE2 3.3Å; D77-Q102 VanDerWaalsContact OD2-NE2 3.16Å; S79-Q102 WeakPolarHBondContact O-CG 3.48Å; S79-Q102 PolarHBondContact O-NE2 2.73Å; L98-Q102 HydrophobicContact CB-CB 4.16Å; L98-Q102 HydrophobicContact CD2-CB 4.48Å; T99-Q102 PolarHBondContact O-N 2.85Å; T99-Q102 VanDerWaalsContact OG1-CG 3.3Å; T99-Q102 WeakPolarHBondContact OG1-CG 3.49Å; T99-Q102 PolarHBondContact OG1-N 3.37Å; T99-Q102 PolarHBondContact OG1-OE1 2.72Å; Q102-K104 VanDerWaalsContact C-N 3.32Å; Q102-K104 PolarHBondContact O-N 3.49Å; Q102-K105 WeakPolarHBondContact O-CB 3.42Å; Q102-K105 PolarHBondContact O-N 2.95Å; Q102-K105 VanDerWaalsContact O-N 3.1Å; Q102-V106 WeakPolarHBondContact O-CG2 3.33Å; Q102-V106 PolarHBondContact O-N 2.89Å
103I92Very high92.6Very high0 Ų050.8 Ų50.80%026%0.262CS..Hα-helixtrans-65.3-37.5178.7-59163.3000111C60 I64 K67 L95 L98 T99 K105 V106 R107C60-I103 HydrophobicContact CB-CG2 4.14Å; I64-I103 HydrophobicContact CD1-CG2 3.97Å; I64-I103 HydrophobicContact CG1-CB 4.18Å; I64-I103 HydrophobicContact CG1-CG2 3.6Å; K67-I103 HydrophobicContact CD-CD1 3.71Å; L95-I103 HydrophobicContact CD2-CG1 4.46Å; L95-I103 HydrophobicContact CD2-CG2 4.41Å; L95-I103 WeakPolarHBondContact O-CD1 3.46Å; L98-I103 HydrophobicContact CB-CD1 4.12Å; L98-I103 HydrophobicContact CB-CG1 3.57Å; L98-I103 HydrophobicContact CD1-CG1 4.12Å; L98-I103 HydrophobicContact CG-CG1 4.48Å; T99-I103 VanDerWaalsContact O-CG1 3.28Å; T99-I103 WeakPolarHBondContact O-CG1 3.36Å; T99-I103 PolarHBondContact O-N 2.87Å; I103-K105 VanDerWaalsContact C-N 3.32Å; I103-V106 PolarHBondContact O-N 3.4Å; I103-R107 VanDerWaalsContact O-CB 3.31Å; I103-R107 WeakPolarHBondContact O-CB 3.22Å; I103-R107 PolarHBondContact O-N 3.4Å
104K93.1Very high92.8Very high99 Ų9943.8 Ų43.843%0.4323%0.23SC..Hα-helixtrans-61.8-40.8172.4-76.7173.1-179.8177.30111.3I64 L100 T101 Q102 R107 L108I64-K104 HydrophobicContact CD1-CG 4.03Å; L100-K104 WeakPolarHBondContact O-CB 3.2Å; L100-K104 VanDerWaalsContact O-CG 3.28Å; L100-K104 WeakPolarHBondContact O-CG 3.32Å; L100-K104 PolarHBondContact O-N 2.79Å; T101-K104 PolarHBondContact O-N 2.91Å; Q102-K104 VanDerWaalsContact C-N 3.32Å; Q102-K104 PolarHBondContact O-N 3.49Å; K104-R107 PolarHBondContact O-N 3.28Å; K104-L108 WeakPolarHBondContact O-CG 3.31Å; K104-L108 PolarHBondContact O-N 3.38Å
105K93.8Very high93.1Very high83 Ų8347.9 Ų47.936%0.36125%0.247SC..Hα-helixtrans-66-46.5176.5-170.765.9176.4-178.10112.3V80 T101 Q102 I103 R107 L108 L109V80-K105 HydrophobicContact CG2-CB 4.32Å; V80-K105 HydrophobicContact CG2-CG 3.73Å; T101-K105 PolarHBondContact O-N 3.44Å; Q102-K105 WeakPolarHBondContact O-CB 3.42Å; Q102-K105 PolarHBondContact O-N 2.95Å; Q102-K105 VanDerWaalsContact O-N 3.1Å; I103-K105 VanDerWaalsContact C-N 3.32Å; K105-R107 VanDerWaalsContact C-N 3.29Å; K105-R107 PolarHBondContact O-N 3.13Å; K105-L108 WeakPolarHBondContact O-CB 3.31Å; K105-L108 PolarHBondContact O-N 3.33Å; K105-L108 VanDerWaalsContact O-N 3.16Å; K105-L109 PolarHBondContact O-N 2.86Å; K105-L109 VanDerWaalsContact O-N 3.12Å
106V94.2Very high93.3Very high0 Ų055 Ų550%028%0.278CS..Hα-helixtrans-56.9-44.9173.71720000110.5V80 A84 L87 L90 L98 Q102 I103 L108 L109 V110V80-V106 HydrophobicContact CG1-CG2 3.87Å; V80-V106 HydrophobicContact CG2-CG2 4.3Å; A84-V106 HydrophobicContact CB-CG2 3.98Å; L87-V106 HydrophobicContact CD2-CG1 4.19Å; L90-V106 HydrophobicContact CD1-CG1 3.47Å; L90-V106 VanDerWaalsContact CD1-CG1 3.47Å; L90-V106 HydrophobicContact CD2-CG1 4.46Å; L98-V106 HydrophobicContact CD1-CG2 4.32Å; Q102-V106 WeakPolarHBondContact O-CG2 3.33Å; Q102-V106 PolarHBondContact O-N 2.89Å; I103-V106 PolarHBondContact O-N 3.4Å; V106-L108 VanDerWaalsContact C-N 3.34Å; V106-L108 PolarHBondContact O-N 2.88Å; V106-L109 WeakPolarHBondContact O-CB 3.38Å; V106-L109 PolarHBondContact O-N 2.66Å; V106-L109 VanDerWaalsContact O-N 3.15Å; V106-V110 HydrophobicContact CG1-CG2 4.35Å; V106-V110 WeakPolarHBondContact O-CG2 3.11Å; V106-V110 PolarHBondContact O-N 2.93Å
107R94.5Very high93.6Very high87 Ų8752.6 Ų52.633%0.32826%0.26SS..Hα-helixtrans-59-42.6176.7179.4-179.7164.4169.4-1.4112.6C60 S61 I103 K104 K105 L109 V110 D111C60-R107 HydrophobicContact CB-CB 4.04Å; C60-R107 HydrophobicContact CB-CG 4.39Å; S61-R107 PolarHBondContact OG-NH1 3.41Å; I103-R107 VanDerWaalsContact O-CB 3.31Å; I103-R107 WeakPolarHBondContact O-CB 3.22Å; I103-R107 PolarHBondContact O-N 3.4Å; K104-R107 PolarHBondContact O-N 3.28Å; K105-R107 VanDerWaalsContact C-N 3.29Å; K105-R107 PolarHBondContact O-N 3.13Å; R107-L109 VanDerWaalsContact C-N 3.32Å; R107-L109 PolarHBondContact O-N 3.32Å; R107-V110 PolarHBondContact O-N 2.83Å; R107-D111 IonicContact NE-OD2 3.77Å; R107-D111 PolarHBondContact O-N 3.23Å
108L94.6Very high93.8Very high95 Ų9549.6 Ų49.650%0.49724%0.241SC..Hα-helixtrans-60.3-42.9175.8-71.1169.1000111.3K104 K105 V106 V110 D111 E112K104-L108 WeakPolarHBondContact O-CG 3.31Å; K104-L108 PolarHBondContact O-N 3.38Å; K105-L108 WeakPolarHBondContact O-CB 3.31Å; K105-L108 PolarHBondContact O-N 3.33Å; K105-L108 VanDerWaalsContact O-N 3.16Å; V106-L108 VanDerWaalsContact C-N 3.34Å; V106-L108 PolarHBondContact O-N 2.88Å; L108-V110 PolarHBondContact O-N 3.28Å; L108-D111 PolarHBondContact O-N 3.35Å; L108-E112 WeakPolarHBondContact O-CG 3.49Å; L108-E112 PolarHBondContact O-N 3.49Å
109L94.9Very high94Very high56 Ų5656.2 Ų56.229%0.29327%0.265SS..Hα-helixtrans-64.4-38.7175.2-64177000112.3V80 L87 K105 V106 R107 E112 A113V80-L109 HydrophobicContact CG2-CD1 3.85Å; L87-L109 HydrophobicContact CD1-CB 3.97Å; L87-L109 HydrophobicContact CD2-CB 4.3Å; K105-L109 PolarHBondContact O-N 2.86Å; K105-L109 VanDerWaalsContact O-N 3.12Å; V106-L109 WeakPolarHBondContact O-CB 3.38Å; V106-L109 PolarHBondContact O-N 2.66Å; V106-L109 VanDerWaalsContact O-N 3.15Å; R107-L109 VanDerWaalsContact C-N 3.32Å; R107-L109 PolarHBondContact O-N 3.32Å; L109-E112 PolarHBondContact O-N 2.8Å; L109-A113 VanDerWaalsContact O-CB 3.3Å; L109-A113 WeakPolarHBondContact O-CB 3.47Å; L109-A113 PolarHBondContact O-N 3Å
110V95.1Very high94.2Very high0 Ų057.9 Ų57.90%027%0.27CS..Hα-helixtrans-63.1-44173.2175.50000110.5L53 A56 K57 L87 L90 V106 R107 L108 A113 V114L53-V110 WeakPolarHBondContact O-CG1 3.5Å; A56-V110 HydrophobicContact CB-CG1 4.4Å; A56-V110 HydrophobicContact CB-CG2 4.49Å; K57-V110 HydrophobicContact CB-CG1 3.78Å; L87-V110 HydrophobicContact CB-CG2 4.21Å; L87-V110 HydrophobicContact CD1-CG2 4.44Å; L87-V110 HydrophobicContact CD2-CG2 4Å; L87-V110 HydrophobicContact CG-CG2 4.44Å; L90-V110 HydrophobicContact CD1-CG2 4.05Å; V106-V110 HydrophobicContact CG1-CG2 4.35Å; V106-V110 WeakPolarHBondContact O-CG2 3.11Å; V106-V110 PolarHBondContact O-N 2.93Å; R107-V110 PolarHBondContact O-N 2.83Å; L108-V110 PolarHBondContact O-N 3.28Å; V110-A113 PolarHBondContact O-N 3.33Å; V110-V114 HydrophobicContact CG1-CG2 4.24Å; V110-V114 VanDerWaalsContact O-CG2 3.28Å; V110-V114 WeakPolarHBondContact O-CG2 3.27Å; V110-V114 PolarHBondContact O-N 3.2Å
111D94.9Very high94.3Very high34 Ų3460.3 Ų60.318%0.18228%0.279CS..Hα-helixtrans-60.7-45.5177.7-78-37.5000111.1K57 R107 L108 A113 V114 E115K57-D111 VanDerWaalsContact CD-OD1 3.27Å; K57-D111 WeakPolarHBondContact CD-OD1 3.4Å; K57-D111 WeakPolarHBondContact CE-OD1 3.31Å; K57-D111 IonicContact NZ-OD1 3.37Å; K57-D111 PolarHBondContact NZ-OD1 3.3Å; R107-D111 IonicContact NE-OD2 3.77Å; R107-D111 PolarHBondContact O-N 3.23Å; L108-D111 PolarHBondContact O-N 3.35Å; D111-A113 PolarHBondContact O-N 3.28Å; D111-V114 PolarHBondContact O-N 3.07Å; D111-E115 PolarHBondContact O-N 3.33Å
112E95.5Very high94.4Very high124 Ų12464.1 Ų64.158%0.57930%0.296SS*.Hα-helixtrans-61.5-41.5174.1-71.6174.6-166.100112.5L108 L109 E115 K116L108-E112 WeakPolarHBondContact O-CG 3.49Å; L108-E112 PolarHBondContact O-N 3.49Å; L109-E112 PolarHBondContact O-N 2.8Å; E112-E115 PolarHBondContact O-N 3.03Å; E112-K116 WeakPolarHBondContact O-CB 3.46Å; E112-K116 PolarHBondContact O-N 3.39Å
113A95.3Very high94.6Very high21 Ų2168.9 Ų68.917%0.17432%0.317CS..Hα-helixtrans-66.2-41.9177.200000111.8L53 L87 L109 V110 D111 K116 T117L53-A113 HydrophobicContact CD1-CB 3.98Å; L53-A113 HydrophobicContact CD2-CB 4.07Å; L87-A113 HydrophobicContact CD1-CB 4Å; L109-A113 VanDerWaalsContact O-CB 3.3Å; L109-A113 WeakPolarHBondContact O-CB 3.47Å; L109-A113 PolarHBondContact O-N 3Å; V110-A113 PolarHBondContact O-N 3.33Å; D111-A113 PolarHBondContact O-N 3.28Å; A113-K116 PolarHBondContact O-N 2.84Å; A113-T117 WeakPolarHBondContact O-CB 3.35Å; A113-T117 PolarHBondContact O-N 2.88Å; A113-T117 PolarHBondContact O-OG1 3.48Å
114V94.1Very high94.8Very high12 Ų1269.3 Ų69.37%0.07332%0.319CS..Hα-helixtrans-58.6-50.3174.5168.50000110.1L53 V110 D111 K116 T117 D118L53-V114 HydrophobicContact CB-CG2 3.61Å; L53-V114 HydrophobicContact CD1-CG2 4.49Å; V110-V114 HydrophobicContact CG1-CG2 4.24Å; V110-V114 VanDerWaalsContact O-CG2 3.28Å; V110-V114 WeakPolarHBondContact O-CG2 3.27Å; V110-V114 PolarHBondContact O-N 3.2Å; D111-V114 PolarHBondContact O-N 3.07Å; V114-K116 VanDerWaalsContact C-N 3.33Å; V114-K116 PolarHBondContact O-N 3.47Å; V114-T117 PolarHBondContact O-N 2.84Å; V114-D118 WeakPolarHBondContact O-CB 3.46Å; V114-D118 PolarHBondContact O-N 2.85Å
115E95.4Very high94.9Very high116 Ų11668.4 Ų68.454%0.54232%0.316SS..Hα-helixtrans-60.8-41.5179.2-74-175.4-173.800112.7D111 E112 R119D111-E115 PolarHBondContact O-N 3.33Å; E112-E115 PolarHBondContact O-N 3.03Å; E115-R119 WeakPolarHBondContact O-CG 3.45Å; E115-R119 PolarHBondContact O-N 2.93Å; E115-R119 IonicContact OE2-NH1 3.05Å
116K95.6Very high94.9Very high148 Ų14867.1 Ų67.164%0.64332%0.321SS*.Hα-helixtrans-64.1-47.2177.3-176.5-176.9175.5-173.40111.2E112 A113 V114 R119 E120E112-K116 WeakPolarHBondContact O-CB 3.46Å; E112-K116 PolarHBondContact O-N 3.39Å; A113-K116 PolarHBondContact O-N 2.84Å; V114-K116 VanDerWaalsContact C-N 3.33Å; V114-K116 PolarHBondContact O-N 3.47Å; K116-R119 PolarHBondContact O-N 3.28Å; K116-E120 PolarHBondContact O-N 3.47Å; K116-E120 VanDerWaalsContact O-N 3.08Å
117T94.8Very high94.9Very high21 Ų2170.4 Ų70.413%0.12934%0.337CS..Hα-helixtrans-63.4-41.8179.1-60.90000110.8C46 T49 A50 A113 V114 R119 E120 R121C46-T117 WeakPolarHBondContact O-CG2 3.39Å; C46-T117 VanDerWaalsContact SG-CG2 3.51Å; C46-T117 PolarHBondContact SG-O 3.39Å; T49-T117 HydrophobicContact CG2-CG2 4.09Å; A50-T117 HydrophobicContact CB-CG2 3.86Å; A113-T117 WeakPolarHBondContact O-CB 3.35Å; A113-T117 PolarHBondContact O-N 2.88Å; A113-T117 PolarHBondContact O-OG1 3.48Å; V114-T117 PolarHBondContact O-N 2.84Å; T117-R119 PolarHBondContact O-N 3.37Å; T117-E120 PolarHBondContact O-N 2.77Å; T117-R121 WeakPolarHBondContact O-CB 3.34Å; T117-R121 PolarHBondContact O-N 2.88Å
118D92.7Very high95Very high54 Ų5467 Ų6729%0.28932%0.324SS..Hα-helixtrans-64.7-38.9176.6-89.7-30.3000113V114 R121 M122V114-D118 WeakPolarHBondContact O-CB 3.46Å; V114-D118 PolarHBondContact O-N 2.85Å; D118-R121 PolarHBondContact O-N 3Å; D118-R121 IonicContact OD1-NE 2.68Å; D118-R121 PolarHBondContact OD1-NE 3.35Å; D118-M122 WeakPolarHBondContact O-CG 3.33Å; D118-M122 PolarHBondContact O-N 3.35Å
119R95.3Very high95Very high146 Ų14665.5 Ų65.555%0.55131%0.313SS*.Hα-helixtrans-60.8-46.3172.9-76-171.2-64.6-101.60.7111.8E115 K116 T117 M122 K123E115-R119 WeakPolarHBondContact O-CG 3.45Å; E115-R119 PolarHBondContact O-N 2.93Å; E115-R119 IonicContact OE2-NH1 3.05Å; K116-R119 PolarHBondContact O-N 3.28Å; T117-R119 PolarHBondContact O-N 3.37Å; R119-M122 PolarHBondContact O-N 2.82Å; R119-K123 PolarHBondContact O-N 3.48Å; R119-K123 VanDerWaalsContact O-N 3.07Å
120E95.4Very high94.9Very high76 Ų7667 Ų6736%0.35532%0.319SS..Hα-helixtrans-66.7-38.9177.9-166.561.4-15300111.4K116 T117 M122 K123 L124K116-E120 PolarHBondContact O-N 3.47Å; K116-E120 VanDerWaalsContact O-N 3.08Å; T117-E120 PolarHBondContact O-N 2.77Å; E120-M122 PolarHBondContact O-N 2.82Å; E120-K123 PolarHBondContact O-N 3.29Å; E120-K123 IonicContact OE1-NZ 2.68Å; E120-K123 PolarHBondContact OE1-NZ 2.89Å; E120-K123 IonicContact OE2-NZ 2.81Å; E120-K123 PolarHBondContact OE2-NZ 3.39Å; E120-L124 HydrophobicContact CG-CD1 3.99Å; E120-L124 HydrophobicContact CG-CG 4.36Å; E120-L124 WeakPolarHBondContact O-CB 3.33Å; E120-L124 WeakPolarHBondContact O-CG 3.34Å; E120-L124 PolarHBondContact O-N 3.25Å
121R94.7Very high95Very high55 Ų5569.6 Ų69.621%0.20833%0.329CS..Hα-helixtrans-58.4-45.7175.4-168.1-169.265.566.72.5111.7T117 D118 E125T117-R121 WeakPolarHBondContact O-CB 3.34Å; T117-R121 PolarHBondContact O-N 2.88Å; D118-R121 PolarHBondContact O-N 3Å; D118-R121 IonicContact OD1-NE 2.68Å; D118-R121 PolarHBondContact OD1-NE 3.35Å; R121-E125 IonicContact NH1-OE2 3.72Å; R121-E125 PolarHBondContact NH1-OE2 3.47Å; R121-E125 VanDerWaalsContact O-CB 3.29Å; R121-E125 WeakPolarHBondContact O-CB 3.44Å; R121-E125 PolarHBondContact O-N 3.44Å
122M94.4Very high95Very high105 Ų10568.4 Ų68.452%0.51732%0.323SS..Hα-helixtrans-65.7-40177.6-73.7-174-72.900112.1D118 R119 E120 E125 A126D118-M122 WeakPolarHBondContact O-CG 3.33Å; D118-M122 PolarHBondContact O-N 3.35Å; R119-M122 PolarHBondContact O-N 2.82Å; E120-M122 PolarHBondContact O-N 2.82Å; M122-E125 PolarHBondContact O-N 3.27Å; M122-A126 PolarHBondContact O-N 3.03Å
123K96.3Very high94.9Very high114 Ų11464 Ų6450%0.49630%0.301SS..Hα-helixtrans-62.6-49.1175.5177.9-172.7154.7-1390111.7R119 E120 E125 A126 E127R119-K123 PolarHBondContact O-N 3.48Å; R119-K123 VanDerWaalsContact O-N 3.07Å; E120-K123 PolarHBondContact O-N 3.29Å; E120-K123 IonicContact OE1-NZ 2.68Å; E120-K123 PolarHBondContact OE1-NZ 2.89Å; E120-K123 IonicContact OE2-NZ 2.81Å; E120-K123 PolarHBondContact OE2-NZ 3.39Å; K123-E125 VanDerWaalsContact C-N 3.28Å; K123-E125 PolarHBondContact O-N 2.6Å; K123-A126 PolarHBondContact O-N 3.01Å; K123-E127 WeakPolarHBondContact O-CB 3.39Å; K123-E127 PolarHBondContact O-N 3.49Å
124L96.1Very high94.8Very high10 Ų1065.5 Ų65.55%0.05230%0.304CS..Hα-helixtrans-63.9-33.9177.5-71.5167.6000112E42 W43 C46 E120 R128E42-L124 HydrophobicContact CB-CD1 4.15Å; E42-L124 HydrophobicContact CB-CD2 4.22Å; E42-L124 HydrophobicContact CG-CD1 3.93Å; E42-L124 HydrophobicContact CG-CD2 4.33Å; W43-L124 HydrophobicContact CB-CB 4.06Å; C46-L124 HydrophobicContact CB-CD1 4.24Å; E120-L124 HydrophobicContact CG-CD1 3.99Å; E120-L124 HydrophobicContact CG-CG 4.36Å; E120-L124 WeakPolarHBondContact O-CB 3.33Å; E120-L124 WeakPolarHBondContact O-CG 3.34Å; E120-L124 PolarHBondContact O-N 3.25Å; L124-R128 WeakPolarHBondContact O-CB 3.4Å; L124-R128 PolarHBondContact O-N 3.45Å
125E94.4Very high95Very high79 Ų7965 Ų6537%0.36930%0.301SS..Hα-helixtrans-65.8-43174.6-177160.4-154.300112R121 M122 K123 R128 F129R121-E125 IonicContact NH1-OE2 3.72Å; R121-E125 PolarHBondContact NH1-OE2 3.47Å; R121-E125 VanDerWaalsContact O-CB 3.29Å; R121-E125 WeakPolarHBondContact O-CB 3.44Å; R121-E125 PolarHBondContact O-N 3.44Å; M122-E125 PolarHBondContact O-N 3.27Å; K123-E125 VanDerWaalsContact C-N 3.28Å; K123-E125 PolarHBondContact O-N 2.6Å; E125-R128 IonicContact OE1-NH2 3.86Å; E125-F129 WeakPolarHBondContact O-CB 3.49Å; E125-F129 PolarHBondContact O-N 3.5Å
126A94.2Very high95.1Very high57 Ų5759.5 Ų59.547%0.47128%0.275SS..Hα-helixtrans-64.5-47.6174.300000111.5M122 K123 R128 F129 E130M122-A126 PolarHBondContact O-N 3.03Å; K123-A126 PolarHBondContact O-N 3.01Å; A126-R128 PolarHBondContact O-N 3.16Å; A126-F129 WeakPolarHBondContact O-CB 3.47Å; A126-F129 PolarHBondContact O-N 2.82Å; A126-F129 VanDerWaalsContact O-N 3.12Å; A126-E130 WeakPolarHBondContact O-CG 3.18Å; A126-E130 PolarHBondContact O-N 3.22Å
127E95.6Very high95.2Very high69 Ų6952.6 Ų52.632%0.32225%0.246SC..Hα-helixtrans-59.7-46.8177.6-178.7174.4-172.900112K123 F129 E130 Y131K123-E127 WeakPolarHBondContact O-CB 3.39Å; K123-E127 PolarHBondContact O-N 3.49Å; E127-F129 VanDerWaalsContact C-N 3.28Å; E127-F129 PolarHBondContact O-N 3.16Å; E127-E130 PolarHBondContact O-N 2.81Å; E127-Y131 HydrophobicContact CG-CD2 4.29Å; E127-Y131 HydrophobicContact CG-CE2 3.47Å; E127-Y131 VanDerWaalsContact CG-CE2 3.47Å; E127-Y131 VanDerWaalsContact O-CD2 3.28Å; E127-Y131 WeakPolarHBondContact O-CD2 3.39Å; E127-Y131 PolarHBondContact O-N 3.3Å; E127-Y131 PolarHBondContact OE1-OH 2.73Å; E127-Y131 VanDerWaalsContact OE1-OH 3.13Å
128R96.4Very high95.4Very high16 Ų1654.3 Ų54.36%0.0625%0.254CS..Hα-helixtrans-58.3-41.1173.8-176.5-177.264.5-166.8-8.9111.6L5 L36 A39 D40 W43 L124 E125 A126 L132L5-R128 HydrophobicContact CD2-CG 4.35Å; L36-R128 HydrophobicContact CG-CG 4.23Å; A39-R128 HydrophobicContact CB-CB 4.1Å; D40-R128 HydrophobicContact CB-CG 4.47Å; D40-R128 WeakPolarHBondContact OD1-CD 3.28Å; D40-R128 IonicContact OD1-CZ 3.56Å; D40-R128 IonicContact OD1-NE 3.73Å; D40-R128 IonicContact OD1-NH1 3.68Å; D40-R128 PolarHBondContact OD1-NH1 3.26Å; W43-R128 VanDerWaalsContact CD2-NH1 3.29Å; L124-R128 WeakPolarHBondContact O-CB 3.4Å; L124-R128 PolarHBondContact O-N 3.45Å; E125-R128 IonicContact OE1-NH2 3.86Å; A126-R128 PolarHBondContact O-N 3.16Å; R128-L132 VanDerWaalsContact O-CB 3.32Å; R128-L132 WeakPolarHBondContact O-CB 3.48Å; R128-L132 PolarHBondContact O-N 2.89Å
129F94.3Very high95.7Very high63 Ų6353.1 Ų53.128%0.27625%0.247SC..Hα-helixtrans-68.3-39.7179.6-178-100000112.5V2 E125 A126 E127 Y131 L132 R133V2-F129 HydrophobicContact CG1-CE2 3.97Å; E125-F129 WeakPolarHBondContact O-CB 3.49Å; E125-F129 PolarHBondContact O-N 3.5Å; A126-F129 WeakPolarHBondContact O-CB 3.47Å; A126-F129 PolarHBondContact O-N 2.82Å; A126-F129 VanDerWaalsContact O-N 3.12Å; E127-F129 VanDerWaalsContact C-N 3.28Å; E127-F129 PolarHBondContact O-N 3.16Å; F129-Y131 VanDerWaalsContact C-N 3.32Å; F129-Y131 PolarHBondContact O-N 3.1Å; F129-L132 PolarHBondContact O-N 3.41Å; F129-R133 WeakPolarHBondContact O-CB 3.47Å; F129-R133 PolarHBondContact O-N 2.85Å
130E93.4Very high95.8Very high88 Ų8848.6 Ų48.641%0.41123%0.232SC..Hα-helixtrans-59-43.2175.5-72.1-60.1119.700111.4A126 E127 R133A126-E130 WeakPolarHBondContact O-CG 3.18Å; A126-E130 PolarHBondContact O-N 3.22Å; E127-E130 PolarHBondContact O-N 2.81Å; E130-R133 IonicContact OE1-CZ 3.73Å; E130-R133 IonicContact OE1-NH1 3.86Å; E130-R133 PolarHBondContact OE1-NH1 3.31Å; E130-R133 IonicContact OE1-NH2 2.81Å; E130-R133 IonicContact OE2-CZ 3.5Å; E130-R133 IonicContact OE2-NH1 3.95Å; E130-R133 PolarHBondContact OE2-NH1 2.82Å; E130-R133 IonicContact OE2-NH2 3.75Å; E130-R133 PolarHBondContact OE2-NH2 2.99Å
131Y95.6Very high96Very high53 Ų5351 Ų5121%0.20825%0.254CS..Hα-helixtrans-67.6-44.2174.2-56.3-36.9000112.4L32 K35 A39 E127 F129 R133 E134 I135L32-Y131 HydrophobicContact CD2-CD1 4.05Å; K35-Y131 HydrophobicContact CB-CD1 4.34Å; K35-Y131 HydrophobicContact CB-CD2 3.7Å; K35-Y131 HydrophobicContact CB-CE1 4.27Å; K35-Y131 HydrophobicContact CB-CE2 3.58Å; K35-Y131 HydrophobicContact CB-CG 4.08Å; K35-Y131 HydrophobicContact CD-CD1 4.4Å; K35-Y131 HydrophobicContact CD-CE1 3.97Å; K35-Y131 HydrophobicContact CG-CE2 4.49Å; A39-Y131 HydrophobicContact CB-CD2 4.49Å; A39-Y131 HydrophobicContact CB-CE2 4.43Å; E127-Y131 HydrophobicContact CG-CD2 4.29Å; E127-Y131 HydrophobicContact CG-CE2 3.47Å; E127-Y131 VanDerWaalsContact CG-CE2 3.47Å; E127-Y131 VanDerWaalsContact O-CD2 3.28Å; E127-Y131 WeakPolarHBondContact O-CD2 3.39Å; E127-Y131 PolarHBondContact O-N 3.3Å; E127-Y131 PolarHBondContact OE1-OH 2.73Å; E127-Y131 VanDerWaalsContact OE1-OH 3.13Å; F129-Y131 VanDerWaalsContact C-N 3.32Å; F129-Y131 PolarHBondContact O-N 3.1Å; Y131-R133 VanDerWaalsContact C-N 3.3Å; Y131-R133 PolarHBondContact O-N 3.01Å; Y131-E134 PolarHBondContact O-N 2.93Å; Y131-I135 WeakPolarHBondContact O-CG1 3.28Å
132L95.9Very high96.1Very high9 Ų950.6 Ų50.65%0.04726%0.26CS..Hα-helixtrans-63.5-34.5-177.3-177.760.5000112.7V2 L3 L5 F8 L36 R128 F129 E134 I135V2-L132 HydrophobicContact CB-CD1 4.45Å; V2-L132 HydrophobicContact CB-CD2 3.8Å; V2-L132 HydrophobicContact CB-CG 3.82Å; V2-L132 HydrophobicContact CG1-CD2 3.89Å; V2-L132 HydrophobicContact CG1-CG 3.77Å; V2-L132 HydrophobicContact CG2-CD2 4.26Å; L3-L132 HydrophobicContact CB-CD1 4.27Å; L5-L132 HydrophobicContact CD2-CD2 3.9Å; L5-L132 HydrophobicContact CG-CD2 4.24Å; F8-L132 HydrophobicContact CE2-CD1 3.73Å; F8-L132 HydrophobicContact CZ-CD1 3.84Å; L36-L132 HydrophobicContact CD1-CB 3.62Å; L36-L132 HydrophobicContact CD1-CD1 3.67Å; L36-L132 HydrophobicContact CD1-CG 4.18Å; R128-L132 VanDerWaalsContact O-CB 3.32Å; R128-L132 WeakPolarHBondContact O-CB 3.48Å; R128-L132 PolarHBondContact O-N 2.89Å; F129-L132 PolarHBondContact O-N 3.41Å; L132-E134 VanDerWaalsContact C-N 3.28Å; L132-E134 PolarHBondContact O-N 3.14Å; L132-I135 PolarHBondContact O-N 2.72Å
133R92.9Very high96.3Very high31 Ų3146.1 Ų46.112%0.11724%0.239CC..Hα-helixtrans-65.9-30.1-177.2-172.9-174.861.8-130.7-21.1113.2F129 E130 Y131 I135F129-R133 WeakPolarHBondContact O-CB 3.47Å; F129-R133 PolarHBondContact O-N 2.85Å; E130-R133 IonicContact OE1-CZ 3.73Å; E130-R133 IonicContact OE1-NH1 3.86Å; E130-R133 PolarHBondContact OE1-NH1 3.31Å; E130-R133 IonicContact OE1-NH2 2.81Å; E130-R133 IonicContact OE2-CZ 3.5Å; E130-R133 IonicContact OE2-NH1 3.95Å; E130-R133 PolarHBondContact OE2-NH1 2.82Å; E130-R133 IonicContact OE2-NH2 3.75Å; E130-R133 PolarHBondContact OE2-NH2 2.99Å; Y131-R133 VanDerWaalsContact C-N 3.3Å; Y131-R133 PolarHBondContact O-N 3.01Å; R133-I135 VanDerWaalsContact C-N 3.33Å
134E94.1Very high96.4Very high54 Ų5442 Ų4225%0.25222%0.224SC..THydrogen-bonded Turntrans-89-1.4-179.8-54.6-53.1128.300112.6L32 Y131 L132 H371L32-E134 HydrophobicContact CD1-CB 3.93Å; Y131-E134 PolarHBondContact O-N 2.93Å; L132-E134 VanDerWaalsContact C-N 3.28Å; L132-E134 PolarHBondContact O-N 3.14Å; E134-H371 PolarHBondContact O-CE1 2.89Å; E134-H371 IonicContact OE2-NE2 3.53Å
135I97Very high96.5Very high0 Ų045.3 Ų45.30%024%0.244CC..SBendtrans-92.6105.9177.2-62.5172.4000109.8L3 F8 I19 Q23 L32 V33 L36 Y131 L132 R133 Y401L3-I135 HydrophobicContact CD1-CG2 3.85Å; F8-I135 HydrophobicContact CE1-CD1 3.77Å; F8-I135 HydrophobicContact CZ-CD1 3.99Å; F8-I135 HydrophobicContact CZ-CG2 4.14Å; I19-I135 HydrophobicContact CG2-CG2 3.74Å; Q23-I135 HydrophobicContact CG-CG2 4.43Å; Q23-I135 VanDerWaalsContact NE2-CA 3.34Å; L32-I135 HydrophobicContact CB-CD1 4.24Å; L32-I135 HydrophobicContact CB-CG1 4.14Å; V33-I135 HydrophobicContact CG2-CD1 4.3Å; L36-I135 HydrophobicContact CD1-CD1 3.77Å; Y131-I135 WeakPolarHBondContact O-CG1 3.28Å; L132-I135 PolarHBondContact O-N 2.72Å; R133-I135 VanDerWaalsContact C-N 3.33Å; I135-Y401 PolarHBondContact O-OH 3.35Å
136G97.3Very high96.7Very high1 Ų142.3 Ų42.31%0.0123%0.232CC..PPolyproline II helixtrans-64160.7178.500000114.8H371G136-H371 CarbonylContact C-O 3.57Å; G136-H371 WeakPolarHBondContact CA-O 3.36Å
137N98.5Very high96.9Very high4 Ų444.5 Ų44.52%0.02124%0.235CC..PPolyproline II helixtrans-59160.8-179.1-162.74.1000112.7T22 R26 H371 A372 C398 T399 Y401T22-N137 WeakPolarHBondContact CG2-O 3.34Å; R26-N137 VanDerWaalsContact CZ-O 3.27Å; R26-N137 PolarHBondContact NE-O 3.47Å; R26-N137 PolarHBondContact NH2-O 3.24Å; N137-H371 VanDerWaalsContact CB-O 3.3Å; N137-H371 WeakPolarHBondContact CB-O 3.41Å; N137-H371 PolarHBondContact N-O 3.01Å; N137-A372 WeakPolarHBondContact CB-O 3.4Å; N137-A372 PolarHBondContact ND2-O 3.45Å; N137-C398 PolarHBondContact ND2-O 3.48Å; N137-C398 VanDerWaalsContact ND2-O 3.08Å; N137-T399 PolarHBondContact ND2-OG1 3.31Å; N137-T399 PolarHBondContact OD1-OG1 2.66Å; N137-Y401 HydrophobicContact CB-CD2 3.76Å; N137-Y401 HydrophobicContact CB-CE2 4.31Å; N137-Y401 HydrophobicContact CB-CG 4.05Å
138L98.4Very high96.9Very high56 Ų5644.9 Ų44.929%0.29324%0.24SC..PPolyproline II helixtrans-62.1138.2171.9-62-179.4000110.4L3 L7 I18 T22 S374L3-L138 HydrophobicContact CD2-CG 4.29Å; L7-L138 HydrophobicContact CD1-CD1 4.47Å; I18-L138 HydrophobicContact CG2-CD2 4.33Å; T22-L138 HydrophobicContact CG2-CD2 4.43Å; L138-S374 WeakPolarHBondContact O-CA 3.2Å; L138-S374 WeakPolarHBondContact O-CB 3.5Å; L138-S374 PolarHBondContact O-OG 3.49Å
139L98.7Very high96.9Very high30 Ų3048.6 Ų48.616%0.15726%0.258CS..PPolyproline II helixtrans-82.4139.2-179.6-68.3172.2000111T22 K25 R26 V143 L369T22-L139 HydrophobicContact CG2-CG 4.17Å; K25-L139 HydrophobicContact CB-CD1 3.57Å; K25-L139 HydrophobicContact CD-CD1 4.28Å; R26-L139 HydrophobicContact CG-CD1 4.03Å; R26-L139 HydrophobicContact CG-CD2 4.2Å; R26-L139 HydrophobicContact CG-CG 4.27Å; R26-L139 VanDerWaalsContact CZ-CD2 3.49Å; L139-V143 HydrophobicContact CD2-CG1 4.26Å; L139-L369 HydrophobicContact CD2-CD1 3.58Å
140H98.7Very high96.7Very high50 Ų5053.3 Ų53.323%0.23129%0.286CS..PPolyproline II helixtrans-64.3142.1166.3-174.9-97.2000110S142 V143 W338 S374 K375H140-S142 PolarHBondContact CE1-OG 3.35Å; H140-S142 WeakPolarHBondContact ND1-CB 3.34Å; H140-S142 PolarHBondContact ND1-N 2.94Å; H140-S142 VanDerWaalsContact ND1-N 3.16Å; H140-S142 PolarHBondContact ND1-OG 3.33Å; H140-S142 PolarHBondContact O-N 3.32Å; H140-V143 HydrophobicContact CB-CG2 4.16Å; H140-V143 WeakPolarHBondContact O-CG2 3.4Å; H140-V143 PolarHBondContact O-N 3.46Å; H140-W338 HydrophobicContact CB-CH2 3.66Å; H140-W338 HydrophobicContact CB-CZ2 4.02Å; H140-W338 HydrophobicContact CB-CZ3 4.26Å; H140-W338 AromaticContact CD2-CD2 3.93Å; H140-W338 AromaticContact CD2-CE2 3.64Å; H140-W338 AromaticContact CD2-CH2 3.78Å; H140-W338 AromaticContact CD2-CZ2 3.57Å; H140-W338 AromaticContact CG-CH2 3.92Å; H140-S374 PolarHBondContact N-O 3.46Å; H140-S374 PolarHBondContact N-OG 2.93Å; H140-K375 HydrophobicContact CB-CB 3.92Å; H140-K375 HydrophobicContact CB-CD 4.31Å
141P98.3Very high96.6Very high126 Ų12652.4 Ų52.482%0.81829%0.294SS*.THydrogen-bonded Turntrans-58.3-22.2-177.4-27.835.9000115.3
142S98.3Very high96.7Very high48 Ų4853.9 Ų53.934%0.33631%0.305SS..THydrogen-bonded Turntrans-86.81.4179.883.70000114.7H140 N363 K375H140-S142 PolarHBondContact CE1-OG 3.35Å; H140-S142 WeakPolarHBondContact ND1-CB 3.34Å; H140-S142 PolarHBondContact ND1-N 2.94Å; H140-S142 VanDerWaalsContact ND1-N 3.16Å; H140-S142 PolarHBondContact ND1-OG 3.33Å; H140-S142 PolarHBondContact O-N 3.32Å; S142-N363 PolarHBondContact O-ND2 3.41Å; S142-K375 WeakPolarHBondContact OG-CE 3.47Å; S142-K375 PolarHBondContact OG-NZ 2.84Å
143V98.8Very high96.7Very high11 Ų1154.8 Ų54.87%0.06731%0.31CS..SBendtrans-73.5128.7179.2173.70000109.1L139 H140 V145 L369 S374 K375L139-V143 HydrophobicContact CD2-CG1 4.26Å; H140-V143 HydrophobicContact CB-CG2 4.16Å; H140-V143 WeakPolarHBondContact O-CG2 3.4Å; H140-V143 PolarHBondContact O-N 3.46Å; V143-V145 PolarHBondContact O-N 2.92Å; V143-L369 HydrophobicContact CG1-CD1 3.92Å; V143-L369 HydrophobicContact CG2-CD1 4.25Å; V143-S374 WeakPolarHBondContact CG2-O 3.3Å; V143-K375 HydrophobicContact CG2-CB 4Å; V143-K375 HydrophobicContact CG2-CG 4.01Å
144P98.3Very high97Very high27 Ų2758.6 Ų58.618%0.17533%0.327CS..  trans-66.9128.5174.722.3-24.2000110.1S146 K154 N363 V365 S366P144-S146 PolarHBondContact O-N 2.82Å; P144-K154 HydrophobicContact CG-CB 4.41Å; P144-N363 WeakPolarHBondContact CD-OD1 3.41Å; P144-N363 WeakPolarHBondContact CG-O 3.3Å; P144-V365 HydrophobicContact CB-CG1 4.18Å; P144-V365 HydrophobicContact CG-CG1 4Å; P144-V365 CarbonylContact O-C 3.54Å; P144-V365 VanDerWaalsContact O-CA 3.31Å; P144-V365 WeakPolarHBondContact O-CA 3.45Å; P144-S366 PolarHBondContact O-N 3Å; P144-S366 PolarHBondContact O-OG 3.43Å
145V98.6Very high97.2Very high80 Ų8059.1 Ų59.149%0.48533%0.334SS..  trans-88.896.2-178.5-178.20000109.4K25 F27 V143 S366K25-V145 HydrophobicContact CB-CG1 4.09Å; K25-V145 HydrophobicContact CB-CG2 4.36Å; K25-V145 HydrophobicContact CD-CG2 4.13Å; K25-V145 HydrophobicContact CG-CG1 4Å; K25-V145 HydrophobicContact CG-CG2 4.08Å; F27-V145 HydrophobicContact CE2-CG1 4.34Å; V143-V145 PolarHBondContact O-N 2.92Å; V145-S366 WeakPolarHBondContact CA-OG 3.31Å
146S98.3Very high97.2Very high15 Ų1562.4 Ų62.411%0.10535%0.349CS..  trans-157.6166.8174.9-1750000111.2F27 P144 D148 D152 V365 S366 G367F27-S146 VanDerWaalsContact CE2-O 3.29Å; F27-S146 WeakPolarHBondContact CE2-O 3.49Å; P144-S146 PolarHBondContact O-N 2.82Å; S146-D148 PolarHBondContact OG-N 3.28Å; S146-D148 VanDerWaalsContact OG-N 3.15Å; S146-D152 VanDerWaalsContact CB-CB 3.47Å; S146-D152 VanDerWaalsContact CB-OD2 3.25Å; S146-D152 WeakPolarHBondContact CB-OD2 3.35Å; S146-D152 PolarHBondContact OG-OD2 3.22Å; S146-V365 WeakPolarHBondContact O-CB 3.41Å; S146-S366 PolarHBondContact N-OG 2.7Å; S146-G367 PolarHBondContact O-N 2.95Å
147N97.4Very high97.3Very high103 Ų10366.9 Ų66.955%0.55137%0.366SS*.SBendtrans-113.14.3172.9-158.150.5000112.5F27F27-N147 HydrophobicContact CB-CB 4.41Å; F27-N147 HydrophobicContact CD1-CB 3.87Å; F27-N147 HydrophobicContact CD2-CB 3.81Å; F27-N147 HydrophobicContact CE1-CB 4.02Å; F27-N147 HydrophobicContact CE2-CB 4.01Å; F27-N147 HydrophobicContact CG-CB 3.76Å; F27-N147 HydrophobicContact CZ-CB 4.09Å
148D96.6Very high97.3Very high77 Ų7771.5 Ų71.541%0.41239%0.394SS..  trans-111.3107.5178.4-167.5-37.4000110.1S146 D150 A151 D152S146-D148 PolarHBondContact OG-N 3.28Å; S146-D148 VanDerWaalsContact OG-N 3.15Å; D148-D150 PolarHBondContact OD1-N 2.86Å; D148-A151 HydrophobicContact CB-CB 4.2Å; D148-A151 PolarHBondContact OD1-N 3.42Å; D148-D152 WeakPolarHBondContact O-CB 3.26Å; D148-D152 PolarHBondContact O-N 2.88Å; D148-D152 VanDerWaalsContact O-N 3.14Å
149E95.7Very high97.3Very high94 Ų9472.9 Ų72.944%0.43940%0.396SS..Hα-helixtrans-70.4-36.6179.2-68.5-171.4-100.400112.5N153 V365 A368E149-N153 WeakPolarHBondContact O-CB 3.08Å; E149-N153 PolarHBondContact O-N 3.44Å; E149-N153 PolarHBondContact O-ND2 2.84Å; E149-V365 HydrophobicContact CG-CG2 3.95Å; E149-A368 HydrophobicContact CG-CB 3.51Å
150D89.8Confident97.3Very high162 Ų16273.9 Ų73.987%0.86641%0.413SS*.Hα-helixtrans-73.8-34.7-174-71.1-41.1000111.2D148D148-D150 PolarHBondContact OD1-N 2.86Å
151A92.6Very high97.2Very high70 Ų7075.7 Ų75.758%0.57943%0.425SS*.Hα-helixtrans-87.5-43-178.600000113.8D148D148-A151 HydrophobicContact CB-CB 4.2Å; D148-A151 PolarHBondContact OD1-N 3.42Å
152D96.1Very high97.1Very high84 Ų8471 Ų7145%0.44940%0.395SS..Hα-helixtrans-116.4-2.6-160.8-64.3-41.6000114.7S146 D148 K154 V365S146-D152 VanDerWaalsContact CB-CB 3.47Å; S146-D152 VanDerWaalsContact CB-OD2 3.25Å; S146-D152 WeakPolarHBondContact CB-OD2 3.35Å; S146-D152 PolarHBondContact OG-OD2 3.22Å; D148-D152 WeakPolarHBondContact O-CB 3.26Å; D148-D152 PolarHBondContact O-N 2.88Å; D148-D152 VanDerWaalsContact O-N 3.14Å; D152-K154 PolarHBondContact O-N 3.18Å; D152-V365 VanDerWaalsContact C-CG1 3.46Å; D152-V365 HydrophobicContact CB-CG1 3.84Å; D152-V365 WeakPolarHBondContact O-CG1 3.38Å
153N97Very high97Very high28 Ų2873 Ų7315%0.1541%0.408CS..PPolyproline II helixtrans-59.7122.5168.9-89.4-8.4000110.1E149 V362 I364 V365E149-N153 WeakPolarHBondContact O-CB 3.08Å; E149-N153 PolarHBondContact O-N 3.44Å; E149-N153 PolarHBondContact O-ND2 2.84Å; N153-V362 HydrophobicContact CB-CG1 3.45Å; N153-V362 VanDerWaalsContact CB-CG1 3.45Å; N153-I364 WeakPolarHBondContact ND2-CD1 3.39Å; N153-I364 WeakPolarHBondContact OD1-CA 3.09Å; N153-V365 WeakPolarHBondContact OD1-CG1 3.43Å; N153-V365 PolarHBondContact OD1-N 3.48Å
154K98.1Very high96.8Very high110 Ų11075.4 Ų75.448%0.47842%0.423SS..EExtended strand (participates in β ladder)trans-87.1120-173.2-175.9-174.7172.8-1330110.7P144 D152 E156 V362 N363P144-K154 HydrophobicContact CG-CB 4.41Å; D152-K154 PolarHBondContact O-N 3.18Å; K154-E156 IonicContact NZ-OE1 2.88Å; K154-E156 PolarHBondContact NZ-OE1 2.96Å; K154-E156 IonicContact NZ-OE2 3.48Å; K154-E156 PolarHBondContact NZ-OE2 3.08Å; K154-E156 PolarHBondContact O-N 3.08Å; K154-V362 CarbonylContact O-C 3.58Å; K154-V362 WeakPolarHBondContact O-CA 3.22Å; K154-N363 HydrophobicContact CB-CB 4.39Å; K154-N363 PolarHBondContact N-O 3.01Å; K154-N363 VanDerWaalsContact N-O 3.14Å; K154-N363 PolarHBondContact O-N 3.3Å
155V98.4Very high96.8Very high65 Ų6581.2 Ų81.239%0.39445%0.448SS..EExtended strand (participates in β ladder)trans-72.4117.3170.3-177.60000109.4T158 R360 I361V155-T158 HydrophobicContact CG1-CG2 3.88Å; V155-R360 HydrophobicContact CG1-CB 4.21Å; V155-I361 CarbonylContact C-O 3.5Å; V155-I361 WeakPolarHBondContact CA-O 3.46Å
156E98.2Very high96.7Very high69 Ų6981 Ų8132%0.32244%0.44SS..EExtended strand (participates in β ladder)trans-92.7-38.7179.9-61.3-68.6-178.100111.6K154 I361 N363 L377K154-E156 IonicContact NZ-OE1 2.88Å; K154-E156 PolarHBondContact NZ-OE1 2.96Å; K154-E156 IonicContact NZ-OE2 3.48Å; K154-E156 PolarHBondContact NZ-OE2 3.08Å; K154-E156 PolarHBondContact O-N 3.08Å; E156-I361 HydrophobicContact CB-CG2 4.29Å; E156-I361 PolarHBondContact N-O 2.8Å; E156-N363 HydrophobicContact CG-CB 3.76Å; E156-N363 VanDerWaalsContact OE1-CB 3.29Å; E156-N363 WeakPolarHBondContact OE1-CB 3.26Å; E156-N363 PolarHBondContact OE1-ND2 2.87Å; E156-L377 HydrophobicContact CG-CD2 4.27Å
157R98.2Very high96.6Very high96 Ų9687.1 Ų87.136%0.36247%0.465SS..EExtended strand (participates in β ladder)trans-147.2155-176.5-66.9174.4-79.6-164.2-7.1110.9E349 R360 I361R157-E349 IonicContact CZ-OE1 3.29Å; R157-E349 IonicContact CZ-OE2 3.11Å; R157-E349 IonicContact NE-OE1 3.48Å; R157-E349 IonicContact NE-OE2 3.97Å; R157-E349 IonicContact NH1-OE1 3.96Å; R157-E349 IonicContact NH1-OE2 2.72Å; R157-E349 PolarHBondContact NH1-OE2 3.39Å; R157-E349 IonicContact NH2-OE2 2.67Å; R157-R360 CarbonylContact O-C 3.57Å; R157-R360 VanDerWaalsContact O-CA 3.27Å; R157-R360 WeakPolarHBondContact O-CA 3.36Å; R157-I361 HydrophobicContact CB-CB 4.07Å; R157-I361 HydrophobicContact CB-CG1 4.04Å; R157-I361 PolarHBondContact O-N 2.98Å
158T98.4Very high96.7Very high100 Ų10083.4 Ų83.461%0.61344%0.444SS*.EExtended strand (participates in β ladder)trans-134.8148.5169.1550000109.8V155 Y359 R360V155-T158 HydrophobicContact CG1-CG2 3.88Å; T158-Y359 WeakPolarHBondContact CA-O 3.49Å; T158-R360 HydrophobicContact CG2-CB 3.94Å
159W98.8Very high96.7Very high85 Ų8581.1 Ų81.132%0.32243%0.434SS..EExtended strand (participates in β ladder)trans-143.2140.2177.5-175.992.8000111.2Q353 I357 P358 Y359W159-Q353 HydrophobicContact CD2-CB 4.48Å; W159-Q353 HydrophobicContact CD2-CG 3.71Å; W159-Q353 HydrophobicContact CE3-CG 4.25Å; W159-Q353 HydrophobicContact CG-CG 3.98Å; W159-Q353 HydrophobicContact CH2-CB 4.29Å; W159-Q353 HydrophobicContact CZ2-CB 3.91Å; W159-Q353 HydrophobicContact CZ2-CG 3.99Å; W159-I357 VanDerWaalsContact CZ3-O 3.27Å; W159-I357 WeakPolarHBondContact CZ3-O 3.37Å; W159-P358 CarbonylContact O-C 3.52Å; W159-P358 VanDerWaalsContact O-CA 3.3Å; W159-P358 WeakPolarHBondContact O-CA 3.37Å; W159-Y359 HydrophobicContact CB-CD1 4.13Å; W159-Y359 HydrophobicContact CB-CE1 3.63Å; W159-Y359 HydrophobicContact CB-CE2 4.1Å; W159-Y359 HydrophobicContact CD2-CE1 4.08Å; W159-Y359 HydrophobicContact CE3-CD1 4.08Å; W159-Y359 AromaticContact CE3-CE1 3.96Å; W159-Y359 HydrophobicContact CE3-CE1 3.96Å; W159-Y359 AromaticContact CG-CE1 3.95Å; W159-Y359 HydrophobicContact CG-CE1 3.95Å; W159-Y359 PolarHBondContact N-O 3.45Å; W159-Y359 PolarHBondContact O-N 2.94Å
160G98.1Very high96.9Very high51 Ų5177.2 Ų77.253%0.52642%0.415SS..SBendtrans77.6-173.7-178.200000113.9
161D96.9Very high97.2Very high89 Ų8970.6 Ų70.648%0.47638%0.381SS..  trans-92.2104.1175.8-171.6-18.2000110.6S163 V164D161-S163 VanDerWaalsContact C-N 3.33Å; D161-S163 WeakPolarHBondContact OD1-CB 3.19Å; D161-S163 PolarHBondContact OD1-N 3.12Å; D161-S163 PolarHBondContact OD1-OG 2.91Å; D161-V164 HydrophobicContact CB-CG2 4.33Å; D161-V164 PolarHBondContact OD1-N 2.93Å; D161-V164 VanDerWaalsContact OD2-CG2 3.28Å; D161-V164 WeakPolarHBondContact OD2-CG2 3.32Å
162C96.8Very high97.5Very high28 Ų2867.7 Ų67.719%0.18936%0.356CS..SBendtrans-94.521.2179-55.60000113.3W382 F389C162-W382 HydrophobicContact CB-CB 3.99Å; C162-W382 HydrophobicContact CB-CD2 4.23Å; C162-W382 HydrophobicContact CB-CG 3.99Å; C162-W382 VanDerWaalsContact O-CD2 3.26Å; C162-W382 VanDerWaalsContact O-CE2 3.24Å; C162-W382 WeakPolarHBondContact O-CZ2 3.48Å; C162-F389 HydrophobicContact CB-CE1 3.94Å; C162-F389 HydrophobicContact CB-CE2 4.44Å; C162-F389 HydrophobicContact CB-CZ 3.47Å; C162-F389 VanDerWaalsContact CB-CZ 3.47Å
163S95.4Very high97.6Very high88 Ų8863.7 Ų63.762%0.61533%0.334SS*.SBendtrans-115.4-21.4179.873.70000113.5D161 Q165D161-S163 VanDerWaalsContact C-N 3.33Å; D161-S163 WeakPolarHBondContact OD1-CB 3.19Å; D161-S163 PolarHBondContact OD1-N 3.12Å; D161-S163 PolarHBondContact OD1-OG 2.91Å; S163-Q165 PolarHBondContact O-N 3.3Å
164V96Very high97.7Very high62 Ų6262.4 Ų62.438%0.37633%0.327SS..  trans-61.6130.7-180170.20000110.3D161 K166 W382 P384D161-V164 HydrophobicContact CB-CG2 4.33Å; D161-V164 PolarHBondContact OD1-N 2.93Å; D161-V164 VanDerWaalsContact OD2-CG2 3.28Å; D161-V164 WeakPolarHBondContact OD2-CG2 3.32Å; V164-K166 HydrophobicContact CG1-CG 4.26Å; V164-W382 PolarHBondContact O-NE1 2.88Å; V164-P384 WeakPolarHBondContact O-CB 3.34Å
165Q96.9Very high97.7Very high150 Ų15059 Ų5970%0.70132%0.316SS*.  trans-105.4148.4169.6-66.4-171.4-1200110.6S163 P384S163-Q165 PolarHBondContact O-N 3.3Å; Q165-P384 CarbonylContact C-O 3.35Å; Q165-P384 VanDerWaalsContact CA-O 3.28Å; Q165-P384 WeakPolarHBondContact CA-O 3.18Å
166K97.7Very high97.7Very high74 Ų7456.3 Ų56.332%0.32230%0.299SS..  trans-130.9164.4178.3-71.2-171.1170.4-160.70110.8V164 P384 G385 E442 N443 Q445V164-K166 HydrophobicContact CG1-CG 4.26Å; K166-P384 HydrophobicContact CB-CB 4.05Å; K166-P384 HydrophobicContact CB-CG 4.27Å; K166-P384 HydrophobicContact CD-CB 4.35Å; K166-P384 HydrophobicContact CD-CG 4.04Å; K166-P384 HydrophobicContact CG-CB 3.96Å; K166-P384 HydrophobicContact CG-CG 4.18Å; K166-P384 PolarHBondContact N-O 3.05Å; K166-G385 WeakPolarHBondContact O-CA 3.36Å; K166-E442 VanDerWaalsContact CD-O 3.23Å; K166-E442 WeakPolarHBondContact CD-O 3.48Å; K166-N443 PolarHBondContact NZ-O 3.16Å; K166-Q445 HydrophobicContact CB-CG 4.16Å; K166-Q445 HydrophobicContact CD-CG 3.77Å; K166-Q445 PolarHBondContact NZ-O 3.31Å
167K96.3Very high97.7Very high144 Ų14453.2 Ų53.263%0.62629%0.285SS*.SBendtrans-67.1-51.9-163.8-173.5176.8179.7-165.20113.8
168Y98.2Very high97.7Very high26 Ų2651.2 Ų51.210%0.10228%0.281CS..  trans-109.8144.3-171.6-61.7-69.3000111.7D172 L173 M176 G385 Q445 A474 I476 D477Y168-D172 HydrophobicContact CD1-CB 4.32Å; Y168-L173 HydrophobicContact CD2-CD2 4.37Å; Y168-L173 HydrophobicContact CG-CD2 4.44Å; Y168-M176 HydrophobicContact CD1-SD 4.34Å; Y168-M176 HydrophobicContact CD2-CE 3.96Å; Y168-M176 HydrophobicContact CD2-SD 4.07Å; Y168-M176 HydrophobicContact CE2-CE 3.72Å; Y168-M176 HydrophobicContact CE2-SD 4.26Å; Y168-M176 HydrophobicContact CG-SD 4.1Å; Y168-G385 WeakPolarHBondContact O-CA 3.48Å; Y168-Q445 PolarHBondContact O-NE2 3.22Å; Y168-A474 HydrophobicContact CD1-CB 3.96Å; Y168-A474 HydrophobicContact CE1-CB 3.36Å; Y168-I476 HydrophobicContact CD1-CG2 4.06Å; Y168-I476 HydrophobicContact CE1-CG2 3.99Å; Y168-D477 PolarHBondContact OH-OD2 3.13Å
169S98Very high97.7Very high28 Ų2846.4 Ų46.420%0.19625%0.252CS..  trans-77.4161.6170.875.60000111V171 D172 L173S169-V171 PolarHBondContact O-N 3.13Å; S169-V171 PolarHBondContact OG-N 2.95Å; S169-D172 PolarHBondContact O-N 3Å; S169-D172 VanDerWaalsContact O-N 3.12Å; S169-D172 PolarHBondContact OG-OD2 3.22Å; S169-D172 VanDerWaalsContact OG-OD2 3.13Å; S169-L173 VanDerWaalsContact O-CG 3.29Å; S169-L173 WeakPolarHBondContact O-CG 3.34Å; S169-L173 PolarHBondContact O-N 3.39Å; S169-L173 VanDerWaalsContact O-N 3.14Å
170H98.3Very high97.7Very high12 Ų1244 Ų446%0.05624%0.243CC..Hα-helixtrans-56.8-25.3175.97382.6000112.9V174 C438 E442H170-V174 WeakPolarHBondContact O-CG1 3.49Å; H170-V174 WeakPolarHBondContact O-CG2 3.41Å; H170-V174 PolarHBondContact O-N 3.01Å; H170-V174 VanDerWaalsContact O-N 3.12Å; H170-C438 HydrophobicContact CB-CB 3.64Å; H170-C438 PolarHBondContact ND1-SG 3.18Å; H170-C438 VanDerWaalsContact ND1-SG 3.36Å; H170-E442 HydrophobicContact CB-CG 3.95Å; H170-E442 IonicContact CD2-OE1 3.85Å; H170-E442 PolarHBondContact CD2-OE1 3.12Å; H170-E442 IonicContact CG-OE1 3.77Å; H170-E442 PolarHBondContact N-OE1 3.37Å
171V97.4Very high97.7Very high23 Ų2342.8 Ų42.814%0.13923%0.225CC..Hα-helixtrans-65.6-40.6179.4175.10000111.7S169 V174 R313S169-V171 PolarHBondContact O-N 3.13Å; S169-V171 PolarHBondContact OG-N 2.95Å; V171-V174 VanDerWaalsContact O-CG2 3.3Å; V171-V174 WeakPolarHBondContact O-CG2 3.34Å; V171-R313 HydrophobicContact CG1-CB 3.62Å; V171-R313 HydrophobicContact CG2-CB 4.05Å
172D97.9Very high97.6Very high10 Ų1039.4 Ų39.45%0.05321%0.211CC..Hα-helixtrans-76.6-43.1177.1-60.2-66.5000110.4Y168 S169 V174 V175 M176 I476Y168-D172 HydrophobicContact CD1-CB 4.32Å; S169-D172 PolarHBondContact O-N 3Å; S169-D172 VanDerWaalsContact O-N 3.12Å; S169-D172 PolarHBondContact OG-OD2 3.22Å; S169-D172 VanDerWaalsContact OG-OD2 3.13Å; D172-V174 PolarHBondContact O-N 3.25Å; D172-V175 WeakPolarHBondContact O-CA 3.29Å; D172-V175 WeakPolarHBondContact O-CB 3.35Å; D172-V175 PolarHBondContact O-N 3.48Å; D172-M176 HydrophobicContact CB-SD 4.28Å; D172-M176 WeakPolarHBondContact O-CG 3.45Å; D172-M176 PolarHBondContact O-N 3.2Å; D172-I476 PolarHBondContact OD1-N 3.4Å
173L98.7Very high97.5Very high0 Ų046.1 Ų46.10%024%0.24CC..Hα-helixtrans-61.8-39.8-174.4-66.4171.2000112.8Y168 S169 V175 M176 I177 L441 E442 Q445 I450 F470Y168-L173 HydrophobicContact CD2-CD2 4.37Å; Y168-L173 HydrophobicContact CG-CD2 4.44Å; S169-L173 VanDerWaalsContact O-CG 3.29Å; S169-L173 WeakPolarHBondContact O-CG 3.34Å; S169-L173 PolarHBondContact O-N 3.39Å; S169-L173 VanDerWaalsContact O-N 3.14Å; L173-V175 PolarHBondContact O-N 2.83Å; L173-M176 HydrophobicContact CD2-SD 4.13Å; L173-M176 PolarHBondContact O-N 2.88Å; L173-I177 WeakPolarHBondContact O-CG1 3.47Å; L173-I177 PolarHBondContact O-N 2.87Å; L173-L441 HydrophobicContact CB-CB 4.13Å; L173-L441 HydrophobicContact CB-CD1 4.45Å; L173-L441 HydrophobicContact CD1-CB 4.01Å; L173-L441 WeakPolarHBondContact CD1-O 3.28Å; L173-E442 HydrophobicContact CD1-CG 4.13Å; L173-Q445 HydrophobicContact CD1-CB 4.27Å; L173-Q445 HydrophobicContact CD2-CB 4.15Å; L173-I450 HydrophobicContact CD1-CD1 4.34Å; L173-I450 HydrophobicContact CD2-CD1 3.88Å; L173-I450 HydrophobicContact CG-CD1 4.49Å; L173-F470 HydrophobicContact CD2-CE1 3.71Å; L173-F470 HydrophobicContact CD2-CZ 3.62Å
174V98.4Very high97.6Very high0 Ų049.9 Ų49.90%024%0.24CC..Hα-helixtrans-61.7-27.7176-66.40000112.7H170 V171 D172 G179 F180 L200 I315 L441H170-V174 WeakPolarHBondContact O-CG1 3.49Å; H170-V174 WeakPolarHBondContact O-CG2 3.41Å; H170-V174 PolarHBondContact O-N 3.01Å; H170-V174 VanDerWaalsContact O-N 3.12Å; V171-V174 VanDerWaalsContact O-CG2 3.3Å; V171-V174 WeakPolarHBondContact O-CG2 3.34Å; D172-V174 PolarHBondContact O-N 3.25Å; V174-G179 PolarHBondContact O-N 2.99Å; V174-G179 VanDerWaalsContact O-N 3.07Å; V174-F180 HydrophobicContact CB-CB 3.78Å; V174-F180 HydrophobicContact CB-CG 4.38Å; V174-F180 HydrophobicContact CG2-CB 3.91Å; V174-F180 HydrophobicContact CG2-CD1 3.95Å; V174-F180 HydrophobicContact CG2-CG 3.99Å; V174-F180 PolarHBondContact O-N 3.43Å; V174-L200 HydrophobicContact CB-CD1 4.17Å; V174-L200 HydrophobicContact CG1-CD1 3.96Å; V174-I315 HydrophobicContact CG1-CD1 4.11Å; V174-I315 HydrophobicContact CG1-CG1 4.29Å; V174-L441 HydrophobicContact CB-CD1 4.45Å; V174-L441 HydrophobicContact CG1-CD1 3.37Å
175V98.1Very high97.7Very high39 Ų3947 Ų4724%0.23622%0.223CC..Hα-helixtrans-83.7-43.3176.9-179.30000111.1D172 L173 I177 D178 F180 K472 P475D172-V175 WeakPolarHBondContact O-CA 3.29Å; D172-V175 WeakPolarHBondContact O-CB 3.35Å; D172-V175 PolarHBondContact O-N 3.48Å; L173-V175 PolarHBondContact O-N 2.83Å; V175-I177 PolarHBondContact O-N 3.02Å; V175-D178 WeakPolarHBondContact O-CA 3.37Å; V175-D178 PolarHBondContact O-N 3.14Å; V175-F180 HydrophobicContact CG2-CD1 4.12Å; V175-K472 WeakPolarHBondContact O-CD 3.41Å; V175-P475 HydrophobicContact CB-CG 3.81Å; V175-P475 HydrophobicContact CG1-CG 3.79Å; V175-P475 HydrophobicContact CG2-CG 4.04Å
176M98.6Very high97.7Very high9 Ų942 Ų424%0.04421%0.207CC..Hα-helixtrans-59.8-31.2-176.9-69.1168.169.600113Y168 D172 L173 F470 V471 K472 A474Y168-M176 HydrophobicContact CD1-SD 4.34Å; Y168-M176 HydrophobicContact CD2-CE 3.96Å; Y168-M176 HydrophobicContact CD2-SD 4.07Å; Y168-M176 HydrophobicContact CE2-CE 3.72Å; Y168-M176 HydrophobicContact CE2-SD 4.26Å; Y168-M176 HydrophobicContact CG-SD 4.1Å; D172-M176 HydrophobicContact CB-SD 4.28Å; D172-M176 WeakPolarHBondContact O-CG 3.45Å; D172-M176 PolarHBondContact O-N 3.2Å; L173-M176 HydrophobicContact CD2-SD 4.13Å; L173-M176 PolarHBondContact O-N 2.88Å; M176-F470 HydrophobicContact CB-CD1 3.44Å; M176-F470 VanDerWaalsContact CB-CD1 3.44Å; M176-F470 HydrophobicContact CB-CE1 3.86Å; M176-F470 HydrophobicContact CB-CG 4.18Å; M176-F470 HydrophobicContact CE-CD1 3.83Å; M176-F470 HydrophobicContact CE-CD2 3.75Å; M176-F470 HydrophobicContact CE-CE1 3.8Å; M176-F470 HydrophobicContact CE-CE2 3.7Å; M176-F470 HydrophobicContact CE-CG 3.81Å; M176-F470 HydrophobicContact CE-CZ 3.73Å; M176-F470 WeakPolarHBondContact O-CA 3.45Å; M176-F470 HydrophobicContact SD-CE1 4.31Å; M176-V471 PolarHBondContact O-N 3.02Å; M176-K472 PolarHBondContact O-N 3.34Å; M176-A474 HydrophobicContact CE-CB 4.14Å; M176-A474 HydrophobicContact CG-CB 4.05Å; M176-A474 HydrophobicContact SD-CB 3.58Å; M176-A474 VanDerWaalsContact SD-CB 3.58Å
177I98.5Very high97.7Very high4 Ų444.6 Ų44.62%0.02123%0.229CC..THydrogen-bonded Turntrans-90.26.2175.168.2-177.8000113.9L173 V175 G179 P199 L200 L441 I450 I468 F470L173-I177 WeakPolarHBondContact O-CG1 3.47Å; L173-I177 PolarHBondContact O-N 2.87Å; V175-I177 PolarHBondContact O-N 3.02Å; I177-G179 PolarHBondContact O-N 2.66Å; I177-P199 HydrophobicContact CB-CG 4.41Å; I177-P199 HydrophobicContact CG1-CG 4.44Å; I177-P199 WeakPolarHBondContact O-CG 3.33Å; I177-L200 HydrophobicContact CD1-CD1 4.08Å; I177-L200 HydrophobicContact CD1-CD2 3.53Å; I177-L200 HydrophobicContact CD1-CG 3.65Å; I177-L200 HydrophobicContact CG1-CG 4.48Å; I177-L441 HydrophobicContact CD1-CD2 3.69Å; I177-I450 HydrophobicContact CG2-CG1 4.07Å; I177-I468 HydrophobicContact CB-CG2 3.87Å; I177-I468 HydrophobicContact CD1-CG2 4.24Å; I177-I468 HydrophobicContact CG2-CG2 3.86Å; I177-F470 HydrophobicContact CG2-CD1 3.7Å; I177-F470 HydrophobicContact CG2-CE1 3.96Å
178D98.4Very high97.8Very high53 Ų5342.7 Ų42.728%0.28323%0.23SC..THydrogen-bonded Turntrans50.935.3-172.4-166.424.6000114.2V175 K197 V471 K472V175-D178 WeakPolarHBondContact O-CA 3.37Å; V175-D178 PolarHBondContact O-N 3.14Å; D178-K197 IonicContact OD1-NZ 2.72Å; D178-K197 PolarHBondContact OD1-NZ 3.21Å; D178-V471 HydrophobicContact CB-CG2 3.67Å; D178-K472 HydrophobicContact CB-CD 3.99Å; D178-K472 VanDerWaalsContact CG-NZ 3.28Å; D178-K472 WeakPolarHBondContact OD1-CE 3.47Å; D178-K472 IonicContact OD1-NZ 3.42Å; D178-K472 PolarHBondContact OD1-NZ 3.25Å; D178-K472 IonicContact OD2-NZ 3.6Å
179G98.3Very high97.7Very high0 Ų045.2 Ų45.20%026%0.255CS..  trans-89.4-11.1-177.500000114.6V174 I177 L196 K197V174-G179 PolarHBondContact O-N 2.99Å; V174-G179 VanDerWaalsContact O-N 3.07Å; I177-G179 PolarHBondContact O-N 2.66Å; G179-L196 WeakPolarHBondContact O-CA 3.41Å; G179-K197 WeakPolarHBondContact CA-O 3.34Å; G179-K197 PolarHBondContact O-N 3.41Å
180F98.2Very high97.6Very high34 Ų3445.4 Ų45.415%0.14926%0.262CS..EExtended strand (participates in β ladder)trans-138.4142-168.9166.4-100000112.3V174 V175 Y194 F195 I315V174-F180 HydrophobicContact CB-CB 3.78Å; V174-F180 HydrophobicContact CB-CG 4.38Å; V174-F180 HydrophobicContact CG2-CB 3.91Å; V174-F180 HydrophobicContact CG2-CD1 3.95Å; V174-F180 HydrophobicContact CG2-CG 3.99Å; V174-F180 PolarHBondContact O-N 3.43Å; V175-F180 HydrophobicContact CG2-CD1 4.12Å; F180-Y194 HydrophobicContact CE2-CG 4.45Å; F180-F195 WeakPolarHBondContact CA-O 3.36Å; F180-I315 HydrophobicContact CD2-CG2 3.46Å; F180-I315 VanDerWaalsContact CD2-CG2 3.46Å; F180-I315 HydrophobicContact CE2-CG2 3.65Å; F180-I315 HydrophobicContact CG-CG2 4.47Å
181D97.6Very high97.4Very high26 Ų2649.2 Ų49.214%0.13929%0.29CS..EExtended strand (participates in β ladder)trans-137.293.7170.1-167.2-28.7000110.3R184 G185 F195D181-R184 WeakPolarHBondContact OD1-CB 3.49Å; D181-R184 WeakPolarHBondContact OD1-CG 3.41Å; D181-R184 PolarHBondContact OD1-N 2.82Å; D181-R184 VanDerWaalsContact OD2-CD 3.24Å; D181-R184 WeakPolarHBondContact OD2-CD 3.31Å; D181-R184 IonicContact OD2-CZ 3.82Å; D181-R184 IonicContact OD2-NE 3.53Å; D181-R184 IonicContact OD2-NH1 3.84Å; D181-G185 PolarHBondContact O-N 2.88Å; D181-F195 HydrophobicContact CB-CB 4.28Å; D181-F195 PolarHBondContact N-O 3.41Å; D181-F195 PolarHBondContact O-N 3.05Å
182G95.9Very high97.2Very high18 Ų1849.7 Ų49.719%0.18629%0.289CS..Hα-helixtrans-82.4-28.9179.600000114G185 A186G182-G185 PolarHBondContact O-N 3.49Å; G182-A186 WeakPolarHBondContact O-CB 3.13Å; G182-A186 PolarHBondContact O-N 2.84Å
183E95.4Very high97.1Very high168 Ų16849.7 Ų49.779%0.78529%0.292SS*.Hα-helixtrans-66.9-48.7179.8-69.3-177.618000110.8G185 A186 V187E183-G185 VanDerWaalsContact C-N 3.32Å; E183-A186 PolarHBondContact O-N 2.71Å; E183-V187 WeakPolarHBondContact O-CG2 3.43Å; E183-V187 PolarHBondContact O-N 2.77Å
184R97.8Very high97.1Very high167 Ų16751.6 Ų51.663%0.6330%0.299SS*.Hα-helixtrans-69.5-33.9175.3-63.7-176-171.4166.1-0.5111.7D181 A186 V187 V188 F195D181-R184 WeakPolarHBondContact OD1-CB 3.49Å; D181-R184 WeakPolarHBondContact OD1-CG 3.41Å; D181-R184 PolarHBondContact OD1-N 2.82Å; D181-R184 VanDerWaalsContact OD2-CD 3.24Å; D181-R184 WeakPolarHBondContact OD2-CD 3.31Å; D181-R184 IonicContact OD2-CZ 3.82Å; D181-R184 IonicContact OD2-NE 3.53Å; D181-R184 IonicContact OD2-NH1 3.84Å; R184-A186 VanDerWaalsContact C-N 3.33Å; R184-A186 PolarHBondContact O-N 3.41Å; R184-V187 PolarHBondContact O-N 2.72Å; R184-V188 WeakPolarHBondContact O-CG2 3.49Å; R184-V188 PolarHBondContact O-N 3.07Å; R184-V188 VanDerWaalsContact O-N 3.11Å; R184-F195 HydrophobicContact CB-CD2 4.22Å; R184-F195 HydrophobicContact CB-CE2 4.32Å
185G97.6Very high97.1Very high1 Ų156.1 Ų56.11%0.0132%0.319CS..Hα-helixtrans-58.9-44.4173.300000112.2D181 G182 E183 V187 V188 A189 G193D181-G185 PolarHBondContact O-N 2.88Å; G182-G185 PolarHBondContact O-N 3.49Å; E183-G185 VanDerWaalsContact C-N 3.32Å; G185-V187 VanDerWaalsContact C-N 3.34Å; G185-V187 PolarHBondContact O-N 3.02Å; G185-V188 PolarHBondContact O-N 3.41Å; G185-A189 PolarHBondContact O-N 2.99Å; G185-G193 CarbonylContact C-O 3.59Å; G185-G193 WeakPolarHBondContact CA-O 3.04Å
186A96.4Very high97.1Very high45 Ų4555.7 Ų55.737%0.37232%0.315SS..Hα-helixtrans-63.9-37.6178.400000113.1G182 E183 R184 G190 G193G182-A186 WeakPolarHBondContact O-CB 3.13Å; G182-A186 PolarHBondContact O-N 2.84Å; E183-A186 PolarHBondContact O-N 2.71Å; R184-A186 VanDerWaalsContact C-N 3.33Å; R184-A186 PolarHBondContact O-N 3.41Å; A186-G190 VanDerWaalsContact CA-O 3.31Å; A186-G190 WeakPolarHBondContact CA-O 3.03Å; A186-G190 CarbonylContact O-C 3.51Å; A186-G190 WeakPolarHBondContact O-CA 3.26Å; A186-G190 PolarHBondContact O-N 3.38Å; A186-G193 PolarHBondContact N-O 2.9Å
187V98Very high97.1Very high129 Ų12958.3 Ų58.378%0.78233%0.327SS*.Hα-helixtrans-65.6-38.7175.2173.30000111.7E183 R184 G185E183-V187 WeakPolarHBondContact O-CG2 3.43Å; E183-V187 PolarHBondContact O-N 2.77Å; R184-V187 PolarHBondContact O-N 2.72Å; G185-V187 VanDerWaalsContact C-N 3.34Å; G185-V187 PolarHBondContact O-N 3.02Å
188V98.3Very high97Very high105 Ų10560.1 Ų60.164%0.63635%0.346SS*.Hα-helixtrans-83.5-46.2-174.1173.10000112.7R184 G185 F195R184-V188 WeakPolarHBondContact O-CG2 3.49Å; R184-V188 PolarHBondContact O-N 3.07Å; R184-V188 VanDerWaalsContact O-N 3.11Å; G185-V188 PolarHBondContact O-N 3.41Å; V188-F195 HydrophobicContact CB-CE2 4.21Å; V188-F195 HydrophobicContact CB-CZ 4.34Å; V188-F195 HydrophobicContact CG1-CZ 4.3Å; V188-F195 HydrophobicContact CG2-CE2 3.98Å; V188-F195 HydrophobicContact CG2-CZ 4.12Å
189A96.5Very high97Very high78 Ų7858.5 Ų58.565%0.64534%0.338SS*.Hα-helixtrans-113.6-1.1-170.100000114G185G185-A189 PolarHBondContact O-N 2.99Å
190G95.4Very high97.1Very high33 Ų3358.5 Ų58.534%0.3434%0.338SS..  trans85.4-177-171.900000112.9A186 G193A186-G190 VanDerWaalsContact CA-O 3.31Å; A186-G190 WeakPolarHBondContact CA-O 3.03Å; A186-G190 CarbonylContact O-C 3.51Å; A186-G190 WeakPolarHBondContact O-CA 3.26Å; A186-G190 PolarHBondContact O-N 3.38Å; G190-G193 WeakPolarHBondContact O-CA 3.34Å; G190-G193 PolarHBondContact O-N 2.84Å
191S93Very high97.1Very high91 Ų9159.5 Ų59.564%0.63635%0.347SS*.THydrogen-bonded Turntrans-47.9143-178.7-172.60000112.4G193 H319S191-G193 PolarHBondContact O-N 3.43Å; S191-G193 VanDerWaalsContact O-N 3.1Å; S191-H319 PolarHBondContact O-CD2 3.1Å; S191-H319 PolarHBondContact O-NE2 2.81Å
192R93.9Very high97.1Very high33 Ų3362.8 Ų62.813%0.12536%0.36CS..THydrogen-bonded Turntrans61.43.4-172.4-51.7175.7-179.7-923.8115.5S307 R310 D311 R317R192-S307 PolarHBondContact NH2-O 3.33Å; R192-S307 VanDerWaalsContact NH2-O 3.15Å; R192-S307 PolarHBondContact NH2-OG 2.86Å; R192-R310 PolarHBondContact NH1-O 3.08Å; R192-R310 PolarHBondContact NH2-O 3.22Å; R192-D311 PolarHBondContact NH1-O 3.33Å; R192-D311 VanDerWaalsContact NH1-O 3.1Å; R192-R317 VanDerWaalsContact NH1-CG 3.34Å; R192-R317 PolarHBondContact NH1-O 3.06Å
193G96.2Very high97.3Very high11 Ų1162 Ų6211%0.11335%0.352CS..  trans-63.7141.2168.100000111.3G185 A186 G190 S191G185-G193 CarbonylContact C-O 3.59Å; G185-G193 WeakPolarHBondContact CA-O 3.04Å; A186-G193 PolarHBondContact N-O 2.9Å; G190-G193 WeakPolarHBondContact O-CA 3.34Å; G190-G193 PolarHBondContact O-N 2.84Å; S191-G193 PolarHBondContact O-N 3.43Å; S191-G193 VanDerWaalsContact O-N 3.1Å
194Y98.4Very high97.5Very high39 Ų3954.8 Ų54.815%0.15332%0.318CS..  trans-145154.5-178.469.9-81.6000111.9F180 L196 I315 V318 Q320F180-Y194 HydrophobicContact CE2-CG 4.45Å; Y194-L196 HydrophobicContact CD2-CB 4.42Å; Y194-L196 HydrophobicContact CE2-CB 4.2Å; Y194-I315 HydrophobicContact CD2-CG2 3.98Å; Y194-I315 HydrophobicContact CE2-CG2 4.41Å; Y194-I315 HydrophobicContact CG-CG2 4.2Å; Y194-V318 HydrophobicContact CD1-CB 4.01Å; Y194-V318 HydrophobicContact CD1-CG1 3.73Å; Y194-V318 HydrophobicContact CD1-CG2 4.48Å; Y194-V318 HydrophobicContact CE1-CB 3.75Å; Y194-V318 HydrophobicContact CE1-CG1 3.89Å; Y194-V318 HydrophobicContact CE1-CG2 3.79Å; Y194-Q320 WeakPolarHBondContact CE1-O 3.46Å; Y194-Q320 PolarHBondContact OH-O 2.89Å
195F98.7Very high97.5Very high95 Ų9551.1 Ų51.142%0.41731%0.308SS..EExtended strand (participates in β ladder)trans-108.5128.3159.1-72.8-86.3000109.8F180 D181 R184 V188F180-F195 WeakPolarHBondContact CA-O 3.36Å; D181-F195 HydrophobicContact CB-CB 4.28Å; D181-F195 PolarHBondContact N-O 3.41Å; D181-F195 PolarHBondContact O-N 3.05Å; R184-F195 HydrophobicContact CB-CD2 4.22Å; R184-F195 HydrophobicContact CB-CE2 4.32Å; V188-F195 HydrophobicContact CB-CE2 4.21Å; V188-F195 HydrophobicContact CB-CZ 4.34Å; V188-F195 HydrophobicContact CG1-CZ 4.3Å; V188-F195 HydrophobicContact CG2-CE2 3.98Å; V188-F195 HydrophobicContact CG2-CZ 4.12Å
196L98.5Very high97.6Very high30 Ų3051 Ų5116%0.15731%0.308CS..EExtended strand (participates in β ladder)trans-88.7138.6165.6-154.571.4000109.1G179 Y194 L200 V201 E204 I315 M437G179-L196 WeakPolarHBondContact O-CA 3.41Å; Y194-L196 HydrophobicContact CD2-CB 4.42Å; Y194-L196 HydrophobicContact CE2-CB 4.2Å; L196-L200 HydrophobicContact CD1-CB 3.59Å; L196-L200 HydrophobicContact CD1-CD1 3.73Å; L196-L200 HydrophobicContact CD1-CG 4.31Å; L196-L200 HydrophobicContact CD2-CB 4.08Å; L196-L200 HydrophobicContact CG-CB 3.7Å; L196-V201 HydrophobicContact CB-CG2 4.21Å; L196-V201 HydrophobicContact CD2-CG2 4.3Å; L196-V201 HydrophobicContact CG-CG2 4.2Å; L196-E204 HydrophobicContact CD2-CB 4.21Å; L196-E204 WeakPolarHBondContact CD2-OE2 3.5Å; L196-I315 HydrophobicContact CD1-CD1 4.13Å; L196-M437 HydrophobicContact CD1-CE 4.29Å; L196-M437 HydrophobicContact CD2-CE 3.84Å; L196-M437 HydrophobicContact CD2-SD 4.38Å
197K98.1Very high97.7Very high65 Ų6548.9 Ų48.928%0.28329%0.29SS..  trans-141.3159.5-174.9-58.5-176.1-56.51690112.4D178 G179 L200D178-K197 IonicContact OD1-NZ 2.72Å; D178-K197 PolarHBondContact OD1-NZ 3.21Å; G179-K197 WeakPolarHBondContact CA-O 3.34Å; G179-K197 PolarHBondContact O-N 3.41Å; K197-L200 PolarHBondContact O-N 3.28Å
198G97.3Very high97.7Very high41 Ų4143 Ų4342%0.42325%0.254SS..THydrogen-bonded Turntrans50.9-121.5166.400000113L200 V201 F202G198-L200 VanDerWaalsContact C-N 3.28Å; G198-L200 PolarHBondContact O-N 3.4Å; G198-V201 PolarHBondContact O-N 2.76Å; G198-F202 WeakPolarHBondContact O-CD2 3.2Å
199P98.3Very high97.8Very high19 Ų1941.3 Ų41.312%0.12324%0.241CC..Hα-helixtrans-62.8-31-172.425.8-34.4000114I177 F202 L203 L464 I468I177-P199 HydrophobicContact CB-CG 4.41Å; I177-P199 HydrophobicContact CG1-CG 4.44Å; I177-P199 WeakPolarHBondContact O-CG 3.33Å; P199-F202 PolarHBondContact O-N 3.47Å; P199-L203 PolarHBondContact O-N 2.75Å; P199-L464 HydrophobicContact CB-CD1 4.09Å; P199-I468 HydrophobicContact CB-CD1 4.27Å; P199-I468 HydrophobicContact CB-CG1 4.28Å; P199-I468 HydrophobicContact CB-CG2 3.48Å; P199-I468 VanDerWaalsContact CB-CG2 3.48Å; P199-I468 HydrophobicContact CG-CG2 3.76Å
200L98.8Very high97.9Very high0 Ų038.7 Ų38.70%022%0.215CC..Hα-helixtrans-73.3-29.2-179.7-71.6-173.8000113V174 I177 L196 K197 G198 F202 L203 E204 I315 M437 L441V174-L200 HydrophobicContact CB-CD1 4.17Å; V174-L200 HydrophobicContact CG1-CD1 3.96Å; I177-L200 HydrophobicContact CD1-CD1 4.08Å; I177-L200 HydrophobicContact CD1-CD2 3.53Å; I177-L200 HydrophobicContact CD1-CG 3.65Å; I177-L200 HydrophobicContact CG1-CG 4.48Å; L196-L200 HydrophobicContact CD1-CB 3.59Å; L196-L200 HydrophobicContact CD1-CD1 3.73Å; L196-L200 HydrophobicContact CD1-CG 4.31Å; L196-L200 HydrophobicContact CD2-CB 4.08Å; L196-L200 HydrophobicContact CG-CB 3.7Å; K197-L200 PolarHBondContact O-N 3.28Å; G198-L200 VanDerWaalsContact C-N 3.28Å; G198-L200 PolarHBondContact O-N 3.4Å; L200-F202 VanDerWaalsContact C-N 3.32Å; L200-L203 HydrophobicContact CD2-CD2 3.98Å; L200-L203 PolarHBondContact O-N 2.7Å; L200-E204 WeakPolarHBondContact O-CB 3.36Å; L200-E204 PolarHBondContact O-N 2.78Å; L200-I315 HydrophobicContact CD1-CD1 4.49Å; L200-M437 HydrophobicContact CB-SD 4.22Å; L200-M437 HydrophobicContact CD2-SD 4.07Å; L200-L441 HydrophobicContact CD2-CD1 4.35Å; L200-L441 HydrophobicContact CD2-CD2 4.2Å
201V98.9Very high98Very high55 Ų5537.1 Ų37.133%0.33320%0.199SC..Hα-helixtrans-63.8-42.4172.8176.10000110.1L196 G198 E204 Q205L196-V201 HydrophobicContact CB-CG2 4.21Å; L196-V201 HydrophobicContact CD2-CG2 4.3Å; L196-V201 HydrophobicContact CG-CG2 4.2Å; G198-V201 PolarHBondContact O-N 2.76Å; V201-E204 PolarHBondContact O-N 3.26Å; V201-Q205 WeakPolarHBondContact O-CG 3.5Å; V201-Q205 PolarHBondContact O-N 2.91Å; V201-Q205 VanDerWaalsContact O-N 3.08Å
202F98.8Very high98.3Very high95 Ų9534.3 Ų34.342%0.41718%0.176SC..Hα-helixtrans-67.9-39.8175.7-70.2-64.9000112.6G198 P199 L200 E204 Q205 A206 M460 P461 L464G198-F202 WeakPolarHBondContact O-CD2 3.2Å; P199-F202 PolarHBondContact O-N 3.47Å; L200-F202 VanDerWaalsContact C-N 3.32Å; F202-E204 VanDerWaalsContact C-N 3.34Å; F202-E204 PolarHBondContact O-N 2.7Å; F202-Q205 PolarHBondContact O-N 3.4Å; F202-A206 WeakPolarHBondContact O-CB 3.41Å; F202-A206 PolarHBondContact O-N 2.61Å; F202-M460 HydrophobicContact CB-CE 4.06Å; F202-M460 HydrophobicContact CB-SD 4.15Å; F202-P461 HydrophobicContact CB-CG 4.21Å; F202-P461 HydrophobicContact CD1-CB 4.48Å; F202-P461 HydrophobicContact CD1-CG 3.78Å; F202-P461 HydrophobicContact CD2-CG 3.75Å; F202-P461 HydrophobicContact CE1-CB 4.37Å; F202-P461 HydrophobicContact CE1-CG 4.02Å; F202-P461 HydrophobicContact CE2-CG 3.98Å; F202-P461 HydrophobicContact CG-CG 3.64Å; F202-P461 HydrophobicContact CZ-CG 4.11Å; F202-L464 HydrophobicContact CD2-CD1 4.08Å
203L98.9Very high98.5Very high1 Ų139.1 Ų39.11%0.00519%0.194CC..Hα-helixtrans-63.3-40.1176.6-175.262000111.9P199 L200 A206 L207 M437 I440 L456 M460 I468P199-L203 PolarHBondContact O-N 2.75Å; L200-L203 HydrophobicContact CD2-CD2 3.98Å; L200-L203 PolarHBondContact O-N 2.7Å; L203-A206 WeakPolarHBondContact O-CB 3.29Å; L203-A206 PolarHBondContact O-N 2.88Å; L203-L207 WeakPolarHBondContact O-CG 3.48Å; L203-L207 PolarHBondContact O-N 3.47Å; L203-M437 HydrophobicContact CB-SD 4.32Å; L203-M437 HydrophobicContact CD2-CB 4.43Å; L203-M437 HydrophobicContact CD2-CG 3.9Å; L203-M437 HydrophobicContact CD2-SD 4.34Å; L203-M437 HydrophobicContact CG-CG 4.06Å; L203-M437 HydrophobicContact CG-SD 4.37Å; L203-I440 HydrophobicContact CD2-CG2 4.43Å; L203-L456 HydrophobicContact CD1-CD1 3.76Å; L203-M460 HydrophobicContact CD1-SD 4.47Å; L203-I468 HydrophobicContact CD2-CD1 4.45Å
204E98.9Very high98.6Very high18 Ų1839.7 Ų39.78%0.08420%0.195CC..Hα-helixtrans-61.5-47.7173.5173.9164-109.200111.8L196 L200 V201 F202 A206 L207 I208 T433 M437L196-E204 HydrophobicContact CD2-CB 4.21Å; L196-E204 WeakPolarHBondContact CD2-OE2 3.5Å; L200-E204 WeakPolarHBondContact O-CB 3.36Å; L200-E204 PolarHBondContact O-N 2.78Å; V201-E204 PolarHBondContact O-N 3.26Å; F202-E204 VanDerWaalsContact C-N 3.34Å; F202-E204 PolarHBondContact O-N 2.7Å; E204-A206 VanDerWaalsContact C-N 3.29Å; E204-A206 PolarHBondContact O-N 3.28Å; E204-L207 WeakPolarHBondContact O-CB 3.34Å; E204-L207 PolarHBondContact O-N 3.49Å; E204-I208 HydrophobicContact CG-CD1 3.84Å; E204-I208 VanDerWaalsContact O-CG1 3.31Å; E204-I208 WeakPolarHBondContact O-CG1 3.37Å; E204-I208 PolarHBondContact O-N 2.9Å; E204-T433 HydrophobicContact CG-CG2 4.07Å; E204-T433 WeakPolarHBondContact OE1-CB 3.45Å; E204-T433 PolarHBondContact OE1-OG1 3.23Å; E204-M437 HydrophobicContact CB-CE 4.09Å; E204-M437 HydrophobicContact CB-SD 3.97Å
205Q98.9Very high98.7Very high89 Ų8937.8 Ų37.842%0.41619%0.187SC..Hα-helixtrans-62.2-36.9176.1-68.1-60.9-48.700112.1V201 F202 I208 N209V201-Q205 WeakPolarHBondContact O-CG 3.5Å; V201-Q205 PolarHBondContact O-N 2.91Å; V201-Q205 VanDerWaalsContact O-N 3.08Å; F202-Q205 PolarHBondContact O-N 3.4Å; Q205-I208 PolarHBondContact O-N 3.27Å; Q205-N209 WeakPolarHBondContact O-CB 3.45Å; Q205-N209 PolarHBondContact O-N 3.47Å; Q205-N209 PolarHBondContact O-ND2 2.89Å
206A98.9Very high98.7Very high0 Ų039.2 Ų39.20%020%0.195CC..Hα-helixtrans-62.7-45.6174.600000111.8F202 L203 E204 N209 Y210 L456 F459 M460F202-A206 WeakPolarHBondContact O-CB 3.41Å; F202-A206 PolarHBondContact O-N 2.61Å; L203-A206 WeakPolarHBondContact O-CB 3.29Å; L203-A206 PolarHBondContact O-N 2.88Å; E204-A206 VanDerWaalsContact C-N 3.29Å; E204-A206 PolarHBondContact O-N 3.28Å; A206-N209 PolarHBondContact O-N 2.91Å; A206-Y210 VanDerWaalsContact O-CB 3.25Å; A206-Y210 WeakPolarHBondContact O-CB 3.45Å; A206-Y210 PolarHBondContact O-N 3.02Å; A206-L456 HydrophobicContact CB-CB 4.28Å; A206-L456 HydrophobicContact CB-CD2 4.41Å; A206-F459 HydrophobicContact CB-CB 3.58Å; A206-F459 HydrophobicContact CB-CD2 4.48Å; A206-F459 HydrophobicContact CB-CG 4.4Å; A206-M460 HydrophobicContact CB-CG 4.47Å; A206-M460 HydrophobicContact CB-SD 3.89Å
207L98.9Very high98.7Very high0 Ų041.9 Ų41.90%022%0.216CC..Hα-helixtrans-61-45.6176-77.2168.2000112.2L203 E204 Y210 A211 F351 L355 V436 M437 I440 L456L203-L207 WeakPolarHBondContact O-CG 3.48Å; L203-L207 PolarHBondContact O-N 3.47Å; E204-L207 WeakPolarHBondContact O-CB 3.34Å; E204-L207 PolarHBondContact O-N 3.49Å; L207-Y210 PolarHBondContact O-N 3.05Å; L207-A211 VanDerWaalsContact O-CB 3.32Å; L207-A211 WeakPolarHBondContact O-CB 3.41Å; L207-A211 PolarHBondContact O-N 3.28Å; L207-F351 HydrophobicContact CD2-CZ 4.19Å; L207-L355 HydrophobicContact CD2-CD1 4.07Å; L207-V436 HydrophobicContact CD1-CB 4.25Å; L207-V436 HydrophobicContact CD1-CG1 4.06Å; L207-V436 HydrophobicContact CD2-CG1 3.67Å; L207-M437 HydrophobicContact CD1-CG 3.62Å; L207-I440 HydrophobicContact CD1-CD1 4.27Å; L207-I440 HydrophobicContact CD2-CD1 3.88Å; L207-I440 HydrophobicContact CG-CD1 4.42Å; L207-L456 HydrophobicContact CD2-CD1 3.83Å; L207-L456 HydrophobicContact CD2-CD2 4.15Å; L207-L456 HydrophobicContact CG-CD1 4.13Å
208I98.9Very high98.7Very high5 Ų540.9 Ų40.93%0.02621%0.212CC..Hα-helixtrans-58.7-52.4178.2-67.2161.6000110.3E204 Q205 Y210 A211 L212 F297 E322 I324 T433E204-I208 HydrophobicContact CG-CD1 3.84Å; E204-I208 VanDerWaalsContact O-CG1 3.31Å; E204-I208 WeakPolarHBondContact O-CG1 3.37Å; E204-I208 PolarHBondContact O-N 2.9Å; Q205-I208 PolarHBondContact O-N 3.27Å; I208-Y210 PolarHBondContact O-N 2.88Å; I208-A211 PolarHBondContact O-N 3.13Å; I208-L212 HydrophobicContact CG2-CD1 3.8Å; I208-L212 HydrophobicContact CG2-CG 4.5Å; I208-L212 WeakPolarHBondContact O-CB 3.35Å; I208-L212 VanDerWaalsContact O-CG 3.26Å; I208-L212 WeakPolarHBondContact O-CG 3.49Å; I208-L212 PolarHBondContact O-N 2.65Å; I208-F297 HydrophobicContact CD1-CE2 4.05Å; I208-F297 HydrophobicContact CD1-CZ 4.3Å; I208-F297 HydrophobicContact CG1-CE2 4.3Å; I208-F297 HydrophobicContact CG2-CD2 4.31Å; I208-F297 HydrophobicContact CG2-CE2 4Å; I208-F297 HydrophobicContact CG2-CZ 4.18Å; I208-E322 HydrophobicContact CD1-CB 4.47Å; I208-E322 HydrophobicContact CD1-CG 4.5Å; I208-I324 HydrophobicContact CB-CD1 4.34Å; I208-I324 HydrophobicContact CG1-CD1 3.93Å; I208-T433 HydrophobicContact CD1-CG2 4.26Å; I208-T433 HydrophobicContact CG1-CG2 3.75Å
209N98.8Very high98.7Very high69 Ų6945.4 Ų45.437%0.36923%0.226SC..Hα-helixtrans-64.2-39.9-178.5-78-71.9000112.4Q205 A206 R213 F459Q205-N209 WeakPolarHBondContact O-CB 3.45Å; Q205-N209 PolarHBondContact O-N 3.47Å; Q205-N209 PolarHBondContact O-ND2 2.89Å; A206-N209 PolarHBondContact O-N 2.91Å; N209-R213 WeakPolarHBondContact O-CB 3.44Å; N209-R213 WeakPolarHBondContact O-CG 3.45Å; N209-R213 PolarHBondContact O-N 3.17Å; N209-F459 HydrophobicContact CB-CD1 3.57Å; N209-F459 HydrophobicContact CB-CE1 3.67Å; N209-F459 HydrophobicContact CB-CG 4.24Å; N209-F459 HydrophobicContact CB-CZ 4.43Å
210Y98.9Very high98.7Very high23 Ų2344.8 Ų44.89%0.0922%0.221CC..Hα-helixtrans-65.5-47.9178.9-175.9-126.5000112.2A206 L207 I208 L212 R213 I214 F351 S354 L355 K455 L456 F459A206-Y210 VanDerWaalsContact O-CB 3.25Å; A206-Y210 WeakPolarHBondContact O-CB 3.45Å; A206-Y210 PolarHBondContact O-N 3.02Å; L207-Y210 PolarHBondContact O-N 3.05Å; I208-Y210 PolarHBondContact O-N 2.88Å; Y210-L212 PolarHBondContact O-N 2.94Å; Y210-R213 PolarHBondContact O-N 3.22Å; Y210-I214 HydrophobicContact CD1-CD1 4.14Å; Y210-I214 HydrophobicContact CD2-CD1 4.28Å; Y210-I214 HydrophobicContact CE1-CD1 3.58Å; Y210-I214 HydrophobicContact CE2-CD1 3.74Å; Y210-I214 HydrophobicContact CE2-CG1 4.19Å; Y210-I214 HydrophobicContact CG-CD1 4.45Å; Y210-I214 PolarHBondContact O-N 3.35Å; Y210-I214 VanDerWaalsContact O-N 3.08Å; Y210-F351 AromaticContact CD1-CD2 3.95Å; Y210-F351 HydrophobicContact CD1-CD2 3.95Å; Y210-F351 AromaticContact CD1-CE2 3.46Å; Y210-F351 HydrophobicContact CD1-CE2 3.46Å; Y210-F351 VanDerWaalsContact CD1-CE2 3.46Å; Y210-F351 HydrophobicContact CD1-CZ 4.39Å; Y210-F351 AromaticContact CE1-CD2 3.88Å; Y210-F351 HydrophobicContact CE1-CD2 3.88Å; Y210-F351 AromaticContact CE1-CE2 3.86Å; Y210-F351 HydrophobicContact CE1-CE2 3.86Å; Y210-F351 HydrophobicContact CG-CE2 4.42Å; Y210-S354 WeakPolarHBondContact CE1-OG 3.33Å; Y210-S354 VanDerWaalsContact OH-CB 3.22Å; Y210-S354 WeakPolarHBondContact OH-CB 3.24Å; Y210-S354 PolarHBondContact OH-OG 2.91Å; Y210-L355 HydrophobicContact CD1-CD2 4Å; Y210-L355 HydrophobicContact CE1-CD2 3.83Å; Y210-L355 HydrophobicContact CE1-CG 4.17Å; Y210-K455 HydrophobicContact CD1-CB 4.5Å; Y210-K455 HydrophobicContact CD2-CB 4.43Å; Y210-K455 HydrophobicContact CE1-CB 3.88Å; Y210-K455 HydrophobicContact CE2-CB 3.81Å; Y210-K455 HydrophobicContact CE2-CD 4.44Å; Y210-K455 HydrophobicContact CE2-CG 4.36Å; Y210-K455 VanDerWaalsContact CZ-CB 3.49Å; Y210-K455 WeakPolarHBondContact OH-CG 3.31Å; Y210-L456 HydrophobicContact CD1-CD2 3.8Å; Y210-L456 HydrophobicContact CG-CD2 3.94Å; Y210-F459 AromaticContact CD2-CE2 3.87Å; Y210-F459 HydrophobicContact CD2-CE2 3.87Å; Y210-F459 HydrophobicContact CD2-CZ 4.31Å; Y210-F459 HydrophobicContact CG-CE2 4.15Å
211A98.8Very high98.7Very high0 Ų048.7 Ų48.70%025%0.245CC..Hα-helixtrans-60.4-45.3178.100000111.8L207 I208 R213 I214 L215 I324 F351 M430 C431L207-A211 VanDerWaalsContact O-CB 3.32Å; L207-A211 WeakPolarHBondContact O-CB 3.41Å; L207-A211 PolarHBondContact O-N 3.28Å; I208-A211 PolarHBondContact O-N 3.13Å; A211-R213 PolarHBondContact O-N 3.04Å; A211-I214 PolarHBondContact O-N 2.74Å; A211-L215 WeakPolarHBondContact O-CG 3.47Å; A211-L215 PolarHBondContact O-N 2.94Å; A211-L215 VanDerWaalsContact O-N 3.08Å; A211-I324 HydrophobicContact CB-CB 4.18Å; A211-I324 HydrophobicContact CB-CD1 4.41Å; A211-I324 HydrophobicContact CB-CG1 4.07Å; A211-I324 HydrophobicContact CB-CG2 4.15Å; A211-F351 HydrophobicContact CB-CE2 3.82Å; A211-F351 HydrophobicContact CB-CZ 4.21Å; A211-M430 HydrophobicContact CB-CG 4.01Å; A211-C431 HydrophobicContact CB-CB 4.12Å
212L98.8Very high98.7Very high32 Ų3249.4 Ų49.417%0.16825%0.246CC..Hα-helixtrans-63.6-40.1177.8-68.5172.9000112.2I208 Y210 I214 L215 H216 M222 A295 F297 I324I208-L212 HydrophobicContact CG2-CD1 3.8Å; I208-L212 HydrophobicContact CG2-CG 4.5Å; I208-L212 WeakPolarHBondContact O-CB 3.35Å; I208-L212 VanDerWaalsContact O-CG 3.26Å; I208-L212 WeakPolarHBondContact O-CG 3.49Å; I208-L212 PolarHBondContact O-N 2.65Å; Y210-L212 PolarHBondContact O-N 2.94Å; L212-I214 PolarHBondContact O-N 2.76Å; L212-L215 PolarHBondContact O-N 3.24Å; L212-H216 VanDerWaalsContact O-CB 3.26Å; L212-H216 WeakPolarHBondContact O-CB 3.41Å; L212-H216 PolarHBondContact O-N 2.78Å; L212-M222 HydrophobicContact CB-SD 3.92Å; L212-M222 HydrophobicContact CD2-SD 3.58Å; L212-M222 VanDerWaalsContact CD2-SD 3.58Å; L212-M222 HydrophobicContact CG-SD 4.3Å; L212-A295 HydrophobicContact CD2-CB 4.31Å; L212-F297 HydrophobicContact CD2-CB 4.43Å; L212-I324 HydrophobicContact CD2-CG1 4.46Å; L212-I324 HydrophobicContact CD2-CG2 4Å; L212-I324 HydrophobicContact CG-CG1 4.47Å
213R98.7Very high98.7Very high134 Ų13446.3 Ų46.351%0.50623%0.234SC..Hα-helixtrans-64.1-39.4176.4-79.4-174.6-179-179.50.5112.6N209 Y210 A211 H216 S217 E458 F459N209-R213 WeakPolarHBondContact O-CB 3.44Å; N209-R213 WeakPolarHBondContact O-CG 3.45Å; N209-R213 PolarHBondContact O-N 3.17Å; Y210-R213 PolarHBondContact O-N 3.22Å; A211-R213 PolarHBondContact O-N 3.04Å; R213-H216 PolarHBondContact O-N 2.94Å; R213-S217 PolarHBondContact O-N 2.92Å; R213-E458 IonicContact NH1-OE1 2.6Å; R213-E458 PolarHBondContact NH1-OE1 2.82Å; R213-E458 IonicContact NH1-OE2 2.72Å; R213-E458 PolarHBondContact NH1-OE2 2.62Å; R213-F459 VanDerWaalsContact CZ-CE1 3.42Å
214I98.6Very high98.7Very high23 Ų2353.5 Ų53.512%0.11826%0.262CS..Hα-helixtrans-62.6-50.2175.1-73.7166.9000110.3Y210 A211 L212 H216 S217 K218 F351 M430Y210-I214 HydrophobicContact CD1-CD1 4.14Å; Y210-I214 HydrophobicContact CD2-CD1 4.28Å; Y210-I214 HydrophobicContact CE1-CD1 3.58Å; Y210-I214 HydrophobicContact CE2-CD1 3.74Å; Y210-I214 HydrophobicContact CE2-CG1 4.19Å; Y210-I214 HydrophobicContact CG-CD1 4.45Å; Y210-I214 PolarHBondContact O-N 3.35Å; Y210-I214 VanDerWaalsContact O-N 3.08Å; A211-I214 PolarHBondContact O-N 2.74Å; L212-I214 PolarHBondContact O-N 2.76Å; I214-H216 VanDerWaalsContact C-N 3.32Å; I214-H216 PolarHBondContact O-N 3.46Å; I214-S217 PolarHBondContact O-N 3.41Å; I214-S217 VanDerWaalsContact O-N 3.14Å; I214-S217 PolarHBondContact O-OG 2.88Å; I214-K218 PolarHBondContact O-N 3.18Å; I214-F351 HydrophobicContact CD1-CD2 3.67Å; I214-F351 HydrophobicContact CD1-CE2 4.47Å; I214-M430 HydrophobicContact CB-CE 3.89Å; I214-M430 HydrophobicContact CD1-CE 4.34Å; I214-M430 HydrophobicContact CG2-CE 3.54Å
215L98.8Very high98.7Very high0 Ų052.8 Ų52.80%026%0.259CS..Hα-helixtrans-63.5-39.8179.9-65.8-179.2000111.8A211 L212 S217 K218 N219 Y220 M222 A295 I324 Q326 T347 M430A211-L215 WeakPolarHBondContact O-CG 3.47Å; A211-L215 PolarHBondContact O-N 2.94Å; A211-L215 VanDerWaalsContact O-N 3.08Å; L212-L215 PolarHBondContact O-N 3.24Å; L215-S217 VanDerWaalsContact C-N 3.32Å; L215-S217 PolarHBondContact O-N 3.28Å; L215-K218 CarbonylContact O-C 3.48Å; L215-K218 WeakPolarHBondContact O-CA 3.21Å; L215-K218 PolarHBondContact O-N 3.13Å; L215-N219 PolarHBondContact O-N 3.38Å; L215-Y220 HydrophobicContact CB-CD2 4.24Å; L215-Y220 HydrophobicContact CB-CG 4.04Å; L215-Y220 HydrophobicContact CD2-CD1 4.49Å; L215-Y220 HydrophobicContact CD2-CD2 4.14Å; L215-Y220 HydrophobicContact CD2-CE2 4.19Å; L215-Y220 HydrophobicContact CD2-CG 4.32Å; L215-Y220 WeakPolarHBondContact O-CB 3.47Å; L215-Y220 WeakPolarHBondContact O-CD2 3.27Å; L215-Y220 PolarHBondContact O-N 3.04Å; L215-M222 HydrophobicContact CB-CE 4.18Å; L215-A295 HydrophobicContact CB-CB 3.88Å; L215-A295 HydrophobicContact CD1-CB 3.55Å; L215-A295 HydrophobicContact CG-CB 4.38Å; L215-I324 HydrophobicContact CD1-CG2 3.69Å; L215-Q326 HydrophobicContact CD1-CG 4.18Å; L215-Q326 HydrophobicContact CD2-CG 3.72Å; L215-T347 HydrophobicContact CD2-CG2 3.84Å; L215-M430 HydrophobicContact CD1-CB 4.08Å; L215-M430 HydrophobicContact CD1-CG 3.98Å; L215-M430 HydrophobicContact CD2-CE 4.15Å; L215-M430 HydrophobicContact CD2-CG 4.37Å; L215-M430 HydrophobicContact CD2-SD 4.04Å; L215-M430 HydrophobicContact CG-CE 4.23Å; L215-M430 HydrophobicContact CG-CG 4.19Å; L215-M430 HydrophobicContact CG-SD 4.4Å
216H98.7Very high98.7Very high125 Ų12552.7 Ų52.758%0.57927%0.266SS*.Hα-helixtrans-58.1-43.5173.3179.6-88.6000111.9L212 R213 I214 K218 N219 M222L212-H216 VanDerWaalsContact O-CB 3.26Å; L212-H216 WeakPolarHBondContact O-CB 3.41Å; L212-H216 PolarHBondContact O-N 2.78Å; R213-H216 PolarHBondContact O-N 2.94Å; I214-H216 VanDerWaalsContact C-N 3.32Å; I214-H216 PolarHBondContact O-N 3.46Å; H216-K218 PolarHBondContact O-N 3.37Å; H216-N219 PolarHBondContact O-N 3Å; H216-M222 HydrophobicContact CB-CE 3.84Å; H216-M222 HydrophobicContact CB-SD 4.45Å
217S98.4Very high98.7Very high86 Ų8654.7 Ų54.760%0.60127%0.274SS*.Hα-helixtrans-64.3-20176.277.90000113.9R213 I214 L215R213-S217 PolarHBondContact O-N 2.92Å; I214-S217 PolarHBondContact O-N 3.41Å; I214-S217 VanDerWaalsContact O-N 3.14Å; I214-S217 PolarHBondContact O-OG 2.88Å; L215-S217 VanDerWaalsContact C-N 3.32Å; L215-S217 PolarHBondContact O-N 3.28Å
218K98.4Very high98.6Very high44 Ų4459.8 Ų59.819%0.19130%0.297CS..THydrogen-bonded Turntrans-99.222.3175.1-67.5179179.8-980113I214 L215 H216 Y220 R293 T347 E350I214-K218 PolarHBondContact O-N 3.18Å; L215-K218 CarbonylContact O-C 3.48Å; L215-K218 WeakPolarHBondContact O-CA 3.21Å; L215-K218 PolarHBondContact O-N 3.13Å; H216-K218 PolarHBondContact O-N 3.37Å; K218-Y220 VanDerWaalsContact C-N 3.29Å; K218-Y220 HydrophobicContact CB-CD2 3.97Å; K218-Y220 HydrophobicContact CB-CE2 4.08Å; K218-Y220 WeakPolarHBondContact O-CD2 3.48Å; K218-Y220 PolarHBondContact O-N 3.12Å; K218-R293 PolarHBondContact O-NH1 3.13Å; K218-T347 HydrophobicContact CD-CG2 3.52Å; K218-T347 WeakPolarHBondContact CD-OG1 3.27Å; K218-T347 PolarHBondContact NZ-OG1 3.42Å; K218-E350 WeakPolarHBondContact CE-OE2 3.48Å; K218-E350 VanDerWaalsContact NZ-CD 3.33Å; K218-E350 IonicContact NZ-OE1 3.33Å; K218-E350 PolarHBondContact NZ-OE1 3.29Å; K218-E350 IonicContact NZ-OE2 3.62Å; K218-E350 PolarHBondContact NZ-OE2 3.42Å
219N98.1Very high98.6Very high136 Ų13660.2 Ų60.273%0.72730%0.299SS*.THydrogen-bonded Turntrans61.329.2176.9-54-54.6000114.7L215 H216L215-N219 PolarHBondContact O-N 3.38Å; H216-N219 PolarHBondContact O-N 3Å
220Y98.8Very high98.5Very high5 Ų562.7 Ų62.72%0.0230%0.303CS..PPolyproline II helixtrans-78.4141.8166.2-72.5-111000110L215 K218 M222 R293 Y294 Q326 V328L215-Y220 HydrophobicContact CB-CD2 4.24Å; L215-Y220 HydrophobicContact CB-CG 4.04Å; L215-Y220 HydrophobicContact CD2-CD1 4.49Å; L215-Y220 HydrophobicContact CD2-CD2 4.14Å; L215-Y220 HydrophobicContact CD2-CE2 4.19Å; L215-Y220 HydrophobicContact CD2-CG 4.32Å; L215-Y220 WeakPolarHBondContact O-CB 3.47Å; L215-Y220 WeakPolarHBondContact O-CD2 3.27Å; L215-Y220 PolarHBondContact O-N 3.04Å; K218-Y220 VanDerWaalsContact C-N 3.29Å; K218-Y220 HydrophobicContact CB-CD2 3.97Å; K218-Y220 HydrophobicContact CB-CE2 4.08Å; K218-Y220 WeakPolarHBondContact O-CD2 3.48Å; K218-Y220 PolarHBondContact O-N 3.12Å; Y220-M222 WeakPolarHBondContact O-CE 3.41Å; Y220-R293 HydrophobicContact CD1-CB 3.72Å; Y220-R293 HydrophobicContact CD2-CB 4.25Å; Y220-R293 HydrophobicContact CE1-CB 3.95Å; Y220-R293 HydrophobicContact CE2-CB 4.45Å; Y220-R293 HydrophobicContact CG-CB 3.87Å; Y220-Y294 WeakPolarHBondContact CD1-O 3.27Å; Y220-Q326 HydrophobicContact CE1-CB 3.86Å; Y220-Q326 HydrophobicContact CE1-CG 4.21Å; Y220-Q326 PolarHBondContact OH-OE1 2.81Å; Y220-Q326 VanDerWaalsContact OH-OE1 3.12Å; Y220-V328 HydrophobicContact CE1-CG2 4.06Å
221T98.8Very high98.4Very high82 Ų8265.2 Ų65.250%0.50331%0.314SS..EExtended strand (participates in β ladder)trans-86.3125.2170.7-61.30000109.4L223 R293 Y294 A295T221-L223 PolarHBondContact O-N 3.49Å; T221-R293 PolarHBondContact N-O 3.06Å; T221-Y294 HydrophobicContact CG2-CD1 4.16Å; T221-Y294 HydrophobicContact CG2-CE1 4.01Å; T221-Y294 CarbonylContact O-C 3.55Å; T221-Y294 WeakPolarHBondContact O-CA 3.2Å; T221-A295 PolarHBondContact O-N 3.16Å
222M98.6Very high98.2Very high70 Ų7069.6 Ų69.635%0.34534%0.335SS..EExtended strand (participates in β ladder)trans-69.8127.8179-54.5-57.9103.700109.7L212 L215 H216 Y220 A295L212-M222 HydrophobicContact CB-SD 3.92Å; L212-M222 HydrophobicContact CD2-SD 3.58Å; L212-M222 VanDerWaalsContact CD2-SD 3.58Å; L212-M222 HydrophobicContact CG-SD 4.3Å; L215-M222 HydrophobicContact CB-CE 4.18Å; H216-M222 HydrophobicContact CB-CE 3.84Å; H216-M222 HydrophobicContact CB-SD 4.45Å; Y220-M222 WeakPolarHBondContact O-CE 3.41Å; M222-A295 HydrophobicContact CE-CB 3.37Å; M222-A295 HydrophobicContact SD-CB 3.66Å
223L98.6Very high98.1Very high30 Ų3068.8 Ų68.816%0.15733%0.332CS..EExtended strand (participates in β ladder)trans-134.5109.6-175.1-174.356.8000110.8T221 T225 I276 Y294 A295 G296 F297T221-L223 PolarHBondContact O-N 3.49Å; L223-T225 HydrophobicContact CG-CG2 4.32Å; L223-I276 HydrophobicContact CD2-CD1 4.41Å; L223-I276 HydrophobicContact CD2-CG1 3.86Å; L223-I276 HydrophobicContact CD2-CG2 4.42Å; L223-Y294 HydrophobicContact CB-CD1 3.97Å; L223-Y294 HydrophobicContact CB-CG 4.5Å; L223-Y294 HydrophobicContact CD2-CD1 3.65Å; L223-Y294 HydrophobicContact CD2-CD2 4.31Å; L223-Y294 HydrophobicContact CD2-CE1 4.01Å; L223-Y294 HydrophobicContact CD2-CG 3.83Å; L223-Y294 HydrophobicContact CG-CD1 4.39Å; L223-A295 PolarHBondContact N-O 3.44Å; L223-G296 CarbonylContact O-C 3.5Å; L223-G296 WeakPolarHBondContact O-CA 3.17Å; L223-F297 PolarHBondContact O-N 3.14Å
224Y98.8Very high98.1Very high152 Ų15262.4 Ų62.460%0.59631%0.307SS*.EExtended strand (participates in β ladder)trans-85.4129.4168.4177.6-98.2000109.4F227 F297Y224-F227 AromaticContact CE2-CE1 3.73Å; Y224-F227 HydrophobicContact CE2-CE1 3.73Å; Y224-F227 AromaticContact CE2-CZ 3.56Å; Y224-F227 HydrophobicContact CE2-CZ 3.56Å; Y224-F227 AromaticContact CZ-CE1 3.82Å; Y224-F227 AromaticContact CZ-CZ 3.71Å; Y224-F227 VanDerWaalsContact OH-CZ 3.3Å; Y224-F227 WeakPolarHBondContact OH-CZ 3.44Å; Y224-F297 AromaticContact CD2-CD1 3.97Å; Y224-F297 HydrophobicContact CD2-CD1 3.97Å; Y224-F297 HydrophobicContact CD2-CE1 4.35Å
225T98.5Very high97.9Very high4 Ų465.3 Ų65.33%0.02532%0.321CS..  trans-108.9153.7-170.665.90000112.4L223 F227 P275 I276 S298L223-T225 HydrophobicContact CG-CG2 4.32Å; T225-F227 WeakPolarHBondContact O-CD1 3.37Å; T225-F227 VanDerWaalsContact O-CE1 3.28Å; T225-F227 WeakPolarHBondContact O-CE1 3.4Å; T225-P275 HydrophobicContact CG2-CB 4.35Å; T225-P275 HydrophobicContact CG2-CG 3.86Å; T225-I276 HydrophobicContact CG2-CD1 4.22Å; T225-I276 HydrophobicContact CG2-CG1 3.77Å; T225-S298 WeakPolarHBondContact OG1-CB 3.33Å
226P98.6Very high97.8Very high86 Ų8665.8 Ų65.856%0.55832%0.323SS*.  trans-57.6140.7162.5-21.333.3000110.9F228P226-F228 VanDerWaalsContact C-N 3.34Å
227F98.7Very high97.6Very high42 Ų4260.1 Ų60.118%0.18430%0.297CS..SBendtrans-89.8-1.6-178-64.8-6.1000113.8Y224 T225 L268 I269 T299 F301Y224-F227 AromaticContact CE2-CE1 3.73Å; Y224-F227 HydrophobicContact CE2-CE1 3.73Å; Y224-F227 AromaticContact CE2-CZ 3.56Å; Y224-F227 HydrophobicContact CE2-CZ 3.56Å; Y224-F227 AromaticContact CZ-CE1 3.82Å; Y224-F227 AromaticContact CZ-CZ 3.71Å; Y224-F227 VanDerWaalsContact OH-CZ 3.3Å; Y224-F227 WeakPolarHBondContact OH-CZ 3.44Å; T225-F227 WeakPolarHBondContact O-CD1 3.37Å; T225-F227 VanDerWaalsContact O-CE1 3.28Å; T225-F227 WeakPolarHBondContact O-CE1 3.4Å; F227-L268 CarbonylContact O-C 3.56Å; F227-L268 VanDerWaalsContact O-CA 3.25Å; F227-L268 WeakPolarHBondContact O-CA 3.43Å; F227-L268 WeakPolarHBondContact O-CD2 3.32Å; F227-I269 HydrophobicContact CD1-CD1 4.18Å; F227-I269 PolarHBondContact O-N 3.02Å; F227-T299 VanDerWaalsContact CZ-N 3.33Å; F227-F301 HydrophobicContact CB-CE2 4.13Å; F227-F301 HydrophobicContact CD2-CE2 4.22Å; F227-F301 HydrophobicContact CG-CE2 4.39Å
228F98.1Very high97.3Very high107 Ų10756.1 Ų56.147%0.46927%0.269SS..EExtended strand (participates in β ladder)trans-134.1148.1172.951.1-98.7000110.6P226 K266 Y267 L268P226-F228 VanDerWaalsContact C-N 3.34Å; F228-K266 HydrophobicContact CB-CB 4.42Å; F228-K266 HydrophobicContact CD2-CD 3.59Å; F228-K266 HydrophobicContact CE2-CD 4Å; F228-K266 HydrophobicContact CG-CD 4.43Å; F228-Y267 CarbonylContact C-O 3.39Å; F228-Y267 WeakPolarHBondContact CA-O 3.49Å; F228-L268 HydrophobicContact CB-CD2 4.28Å
229M98.4Very high96.8Very high14 Ų1454.9 Ų54.97%0.06926%0.264CS..EExtended strand (participates in β ladder)trans-124.2147.4176.6-61.217667.600110.4V233 M234 V237 K266 Y267 I269 Q274 P275 A278M229-V233 HydrophobicContact CE-CB 4.26Å; M229-V233 HydrophobicContact CE-CG1 3.62Å; M229-M234 HydrophobicContact CB-CB 4.35Å; M229-M234 HydrophobicContact CB-CE 4.05Å; M229-M234 HydrophobicContact CG-CE 4.23Å; M229-M234 HydrophobicContact SD-CE 3.85Å; M229-M234 HydrophobicContact SD-SD 4.26Å; M229-V237 HydrophobicContact CE-CG2 3.93Å; M229-V237 HydrophobicContact SD-CG2 4.43Å; M229-K266 CarbonylContact O-C 3.56Å; M229-K266 VanDerWaalsContact O-CA 3.23Å; M229-K266 WeakPolarHBondContact O-CA 3.44Å; M229-K266 WeakPolarHBondContact O-CB 3.34Å; M229-Y267 PolarHBondContact N-O 2.9Å; M229-Y267 PolarHBondContact O-N 3.15Å; M229-I269 HydrophobicContact CG-CG2 3.82Å; M229-I269 HydrophobicContact SD-CG2 3.94Å; M229-Q274 HydrophobicContact SD-CB 3.65Å; M229-P275 HydrophobicContact CG-CB 4.48Å; M229-P275 HydrophobicContact SD-CB 4.09Å; M229-A278 HydrophobicContact CE-CB 3.79Å
230R97.4Very high96Very high121 Ų12151.6 Ų51.646%0.45725%0.246SC..EExtended strand (participates in β ladder)trans-62142.8171.9-64.7-173.1-65.7134.611.3109.7E232 V233 M234R230-E232 VanDerWaalsContact C-N 3.27Å; R230-E232 HydrophobicContact CB-CG 4.34Å; R230-E232 IonicContact CZ-OE1 3.91Å; R230-E232 IonicContact NH1-OE1 3.64Å; R230-E232 PolarHBondContact NH1-OE1 3.3Å; R230-E232 IonicContact NH2-OE1 2.65Å; R230-E232 PolarHBondContact NH2-OE1 3.24Å; R230-E232 PolarHBondContact O-N 3Å; R230-V233 HydrophobicContact CB-CG2 4.39Å; R230-V233 PolarHBondContact O-N 3.38Å; R230-M234 PolarHBondContact O-N 3.36Å
231K95.9Very high95.3Very high76 Ų7653.7 Ų53.733%0.3326%0.262SS..Hα-helixtrans-47.7-48.3-179.6-178.3171.8-168.8173.40113V233 M234 Q235 E265 Y267K231-V233 PolarHBondContact O-N 3.39Å; K231-M234 PolarHBondContact O-N 2.94Å; K231-Q235 VanDerWaalsContact O-CG 3.29Å; K231-Q235 WeakPolarHBondContact O-CG 3.41Å; K231-Q235 PolarHBondContact O-N 3.24Å; K231-E265 HydrophobicContact CD-CB 4.39Å; K231-E265 PolarHBondContact N-O 2.86Å; K231-E265 IonicContact NZ-OE2 2.72Å; K231-E265 PolarHBondContact NZ-OE2 3.16Å; K231-Y267 HydrophobicContact CB-CD2 4.29Å; K231-Y267 HydrophobicContact CB-CE2 3.87Å; K231-Y267 HydrophobicContact CD-CE2 4.18Å; K231-Y267 HydrophobicContact CG-CE2 3.78Å
232E95Very high94.6Very high92 Ų9251.6 Ų51.643%0.4325%0.246SC..Hα-helixtrans-58.9-34.1-178.668.3176-159.100113.3R230 E236R230-E232 VanDerWaalsContact C-N 3.27Å; R230-E232 HydrophobicContact CB-CG 4.34Å; R230-E232 IonicContact CZ-OE1 3.91Å; R230-E232 IonicContact NH1-OE1 3.64Å; R230-E232 PolarHBondContact NH1-OE1 3.3Å; R230-E232 IonicContact NH2-OE1 2.65Å; R230-E232 PolarHBondContact NH2-OE1 3.24Å; R230-E232 PolarHBondContact O-N 3Å; E232-E236 WeakPolarHBondContact O-CG 3.28Å
233V97.1Very high94.1Very high16 Ų1649.6 Ų49.610%0.09724%0.235CC..Hα-helixtrans-85-40.4-178.9-171.30000110.1M229 R230 K231 Q235 E236 A278M229-V233 HydrophobicContact CE-CB 4.26Å; M229-V233 HydrophobicContact CE-CG1 3.62Å; R230-V233 HydrophobicContact CB-CG2 4.39Å; R230-V233 PolarHBondContact O-N 3.38Å; K231-V233 PolarHBondContact O-N 3.39Å; V233-Q235 PolarHBondContact O-N 3.19Å; V233-E236 WeakPolarHBondContact O-CB 3.11Å; V233-E236 PolarHBondContact O-N 3.44Å; V233-A278 HydrophobicContact CG1-CB 3.59Å
234M97.6Very high93.3Very high0 Ų054.1 Ų54.10%026%0.26CS..Hα-helixtrans-58.2-39.5176.3-175.258.687.300111.3M229 R230 K231 E236 V237 A238 F243 L247 Y267 I269 Q274M229-M234 HydrophobicContact CB-CB 4.35Å; M229-M234 HydrophobicContact CB-CE 4.05Å; M229-M234 HydrophobicContact CG-CE 4.23Å; M229-M234 HydrophobicContact SD-CE 3.85Å; M229-M234 HydrophobicContact SD-SD 4.26Å; R230-M234 PolarHBondContact O-N 3.36Å; K231-M234 PolarHBondContact O-N 2.94Å; M234-E236 PolarHBondContact O-N 3.28Å; M234-E236 VanDerWaalsContact O-N 3.08Å; M234-V237 WeakPolarHBondContact O-CG2 3.47Å; M234-V237 PolarHBondContact O-N 3.36Å; M234-V237 HydrophobicContact SD-CG2 4.01Å; M234-A238 HydrophobicContact CG-CB 4.17Å; M234-A238 WeakPolarHBondContact O-CB 3.46Å; M234-A238 PolarHBondContact O-N 2.97Å; M234-A238 HydrophobicContact SD-CB 3.94Å; M234-F243 HydrophobicContact CB-CE1 4.38Å; M234-F243 HydrophobicContact CB-CZ 4.08Å; M234-F243 HydrophobicContact CG-CE1 3.91Å; M234-F243 HydrophobicContact CG-CZ 3.65Å; M234-L247 HydrophobicContact CE-CD1 4.34Å; M234-L247 HydrophobicContact CE-CD2 4.17Å; M234-L247 HydrophobicContact CG-CD1 3.72Å; M234-L247 HydrophobicContact SD-CD1 3.91Å; M234-L247 HydrophobicContact SD-CD2 4.47Å; M234-Y267 HydrophobicContact CG-CG 4.45Å; M234-I269 HydrophobicContact CE-CG2 4.32Å; M234-Q274 HydrophobicContact SD-CB 4.44Å; M234-Q274 HydrophobicContact SD-CG 4.25Å
235Q94.9Very high92.7Very high84 Ų8452 Ų5239%0.39326%0.255SS..Hα-helixtrans-62.3-16.1176.3-74175.4-3400113.9K231 V233 F243K231-Q235 VanDerWaalsContact O-CG 3.29Å; K231-Q235 WeakPolarHBondContact O-CG 3.41Å; K231-Q235 PolarHBondContact O-N 3.24Å; V233-Q235 PolarHBondContact O-N 3.19Å; Q235-F243 HydrophobicContact CB-CZ 4.28Å; Q235-F243 HydrophobicContact CG-CE1 4.3Å; Q235-F243 HydrophobicContact CG-CE2 4Å; Q235-F243 HydrophobicContact CG-CZ 3.51Å
236E95.9Very high92.3Very high9 Ų953.6 Ų53.64%0.04226%0.262CS..Hα-helixtrans-84.3-25.2177.2-47.9-155.7151.600112.4M1 E232 V233 M234 R281 R405 L406M1-E236 WeakPolarHBondContact CG-O 3.02Å; M1-E236 PolarHBondContact N-O 3.29Å; M1-E236 VanDerWaalsContact N-O 3.12Å; E232-E236 WeakPolarHBondContact O-CG 3.28Å; V233-E236 WeakPolarHBondContact O-CB 3.11Å; V233-E236 PolarHBondContact O-N 3.44Å; M234-E236 PolarHBondContact O-N 3.28Å; M234-E236 VanDerWaalsContact O-N 3.08Å; E236-R281 VanDerWaalsContact CD-NH2 3.29Å; E236-R281 IonicContact OE1-CZ 2.79Å; E236-R281 IonicContact OE1-NE 3.97Å; E236-R281 IonicContact OE1-NH2 2.86Å; E236-R281 PolarHBondContact OE1-NH2 2.82Å; E236-R281 WeakPolarHBondContact OE2-CD 3.25Å; E236-R281 IonicContact OE2-CZ 3.4Å; E236-R281 IonicContact OE2-NE 2.66Å; E236-R281 PolarHBondContact OE2-NE 2.81Å; E236-R281 IonicContact OE2-NH2 3.19Å; E236-R281 PolarHBondContact OE2-NH2 3.33Å; E236-R405 HydrophobicContact CB-CG 3.92Å; E236-R405 WeakPolarHBondContact O-CG 3.49Å; E236-R405 IonicContact OE1-CZ 3.68Å; E236-R405 IonicContact OE1-NH1 3.89Å; E236-R405 PolarHBondContact OE1-NH1 3.4Å; E236-R405 IonicContact OE1-NH2 2.72Å; E236-R405 IonicContact OE2-NH1 3.6Å; E236-L406 HydrophobicContact CB-CD2 3.82Å; E236-L406 HydrophobicContact CB-CG 4.46Å; E236-L406 WeakPolarHBondContact OE2-CD2 3.31Å
237V95.4Very high92.2Very high6 Ų649.6 Ų49.64%0.03624%0.237CC..Hα-helixtrans-117.6-9.6-172.1-61.30000114.6M1 M229 M234 Q274 A277 A278 L406M1-V237 VanDerWaalsContact CE-C 3.48Å; M1-V237 VanDerWaalsContact CE-O 3.26Å; M1-V237 WeakPolarHBondContact CE-O 3.5Å; M229-V237 HydrophobicContact CE-CG2 3.93Å; M229-V237 HydrophobicContact SD-CG2 4.43Å; M234-V237 WeakPolarHBondContact O-CG2 3.47Å; M234-V237 PolarHBondContact O-N 3.36Å; M234-V237 HydrophobicContact SD-CG2 4.01Å; V237-Q274 HydrophobicContact CG2-CB 3.86Å; V237-Q274 HydrophobicContact CG2-CG 4.02Å; V237-A277 HydrophobicContact CG1-CB 3.98Å; V237-A278 HydrophobicContact CG1-CB 4.37Å; V237-L406 HydrophobicContact CG1-CD1 3.87Å; V237-L406 HydrophobicContact CG1-CD2 3.92Å; V237-L406 HydrophobicContact CG1-CG 4.24Å
238A92.3Very high92.2Very high3 Ų351 Ų513%0.02524%0.241CC..SBendtrans-11615117500000112M1 M234 Q242 F243 L247M1-A238 VanDerWaalsContact CE-C 3.44Å; M234-A238 HydrophobicContact CG-CB 4.17Å; M234-A238 WeakPolarHBondContact O-CB 3.46Å; M234-A238 PolarHBondContact O-N 2.97Å; M234-A238 HydrophobicContact SD-CB 3.94Å; A238-Q242 HydrophobicContact CB-CB 4.44Å; A238-F243 HydrophobicContact CB-CE2 3.93Å; A238-F243 HydrophobicContact CB-CZ 4.45Å; A238-L247 HydrophobicContact CB-CD1 3.94Å
239Q87Confident92.1Very high18 Ų1851.3 Ų51.38%0.08424%0.242CC..  trans-82.1160.2170.7-66.416528.400110.3M1 S241 Q242 F243 H371M1-Q239 HydrophobicContact CE-CG 3.77Å; Q239-S241 PolarHBondContact O-N 3.13Å; Q239-Q242 HydrophobicContact CB-CG 4.22Å; Q239-Q242 WeakPolarHBondContact O-CB 3.31Å; Q239-Q242 PolarHBondContact O-N 2.84Å; Q239-F243 WeakPolarHBondContact O-CD2 3.41Å; Q239-H371 HydrophobicContact CG-CB 4.4Å
240L81.4Confident92.1Very high67 Ų6753 Ų5335%0.35125%0.253SS..Hα-helixtrans-59.1-45.8178.7-81.7-170.6000112.9Q242 F243L240-Q242 PolarHBondContact O-N 2.91Å; L240-Q242 VanDerWaalsContact O-N 3.13Å; L240-F243 WeakPolarHBondContact O-CB 3.48Å; L240-F243 PolarHBondContact O-N 3.12Å
241S83.9Confident92Very high49 Ų4951.6 Ų51.634%0.34325%0.254SS..Hα-helixtrans-55.3-33.9178.952.70000112.2Q239 F243 D244 E245Q239-S241 PolarHBondContact O-N 3.13Å; S241-F243 VanDerWaalsContact C-N 3.31Å; S241-F243 PolarHBondContact O-N 3.3Å; S241-D244 PolarHBondContact O-N 3.43Å; S241-D244 VanDerWaalsContact O-N 3.17Å; S241-E245 WeakPolarHBondContact O-CB 3.26Å; S241-E245 WeakPolarHBondContact O-CG 3.07Å; S241-E245 PolarHBondContact O-N 2.73Å
242Q84.7Confident91.8Very high37 Ų3749.4 Ų49.417%0.17325%0.252CS..Hα-helixtrans-67-29.8177.5-60.6-177-79.500112.6A238 Q239 L240 D244 E246 L247A238-Q242 HydrophobicContact CB-CB 4.44Å; Q239-Q242 HydrophobicContact CB-CG 4.22Å; Q239-Q242 WeakPolarHBondContact O-CB 3.31Å; Q239-Q242 PolarHBondContact O-N 2.84Å; L240-Q242 PolarHBondContact O-N 2.91Å; L240-Q242 VanDerWaalsContact O-N 3.13Å; Q242-D244 VanDerWaalsContact C-N 3.27Å; Q242-D244 PolarHBondContact O-N 2.75Å; Q242-E246 HydrophobicContact CB-CB 4.25Å; Q242-E246 PolarHBondContact NE2-OE2 2.9Å; Q242-E246 CarbonylContact O-C 3.59Å; Q242-E246 WeakPolarHBondContact O-CA 3.45Å; Q242-E246 WeakPolarHBondContact O-CB 3.26Å; Q242-E246 PolarHBondContact O-N 3.12Å; Q242-L247 WeakPolarHBondContact O-CG 3.34Å; Q242-L247 PolarHBondContact O-N 2.9Å
243F87.1Confident91.7Very high28 Ų2851 Ų5112%0.12326%0.258CS..Hα-helixtrans-65.6-32.6174.1-78-89.6000112.6M234 Q235 A238 Q239 L240 S241 L247 Y267M234-F243 HydrophobicContact CB-CE1 4.38Å; M234-F243 HydrophobicContact CB-CZ 4.08Å; M234-F243 HydrophobicContact CG-CE1 3.91Å; M234-F243 HydrophobicContact CG-CZ 3.65Å; Q235-F243 HydrophobicContact CB-CZ 4.28Å; Q235-F243 HydrophobicContact CG-CE1 4.3Å; Q235-F243 HydrophobicContact CG-CE2 4Å; Q235-F243 HydrophobicContact CG-CZ 3.51Å; A238-F243 HydrophobicContact CB-CE2 3.93Å; A238-F243 HydrophobicContact CB-CZ 4.45Å; Q239-F243 WeakPolarHBondContact O-CD2 3.41Å; L240-F243 WeakPolarHBondContact O-CB 3.48Å; L240-F243 PolarHBondContact O-N 3.12Å; S241-F243 VanDerWaalsContact C-N 3.31Å; S241-F243 PolarHBondContact O-N 3.3Å; F243-L247 HydrophobicContact CD1-CD1 4.1Å; F243-L247 HydrophobicContact CD2-CD1 4.41Å; F243-L247 HydrophobicContact CE1-CD1 4.2Å; F243-L247 HydrophobicContact CG-CD1 4.21Å; F243-L247 HydrophobicContact CZ-CD1 4.4Å; F243-Y267 AromaticContact CD1-CD1 3.99Å; F243-Y267 HydrophobicContact CD1-CD1 3.99Å; F243-Y267 HydrophobicContact CD1-CD2 4.49Å; F243-Y267 AromaticContact CD1-CE1 3.52Å; F243-Y267 HydrophobicContact CD1-CE1 3.52Å; F243-Y267 HydrophobicContact CD1-CE2 4.1Å; F243-Y267 HydrophobicContact CD1-CG 4.43Å; F243-Y267 AromaticContact CD1-CZ 3.57Å; F243-Y267 HydrophobicContact CE1-CD1 4.15Å; F243-Y267 AromaticContact CE1-CD2 3.91Å; F243-Y267 HydrophobicContact CE1-CD2 3.91Å; F243-Y267 AromaticContact CE1-CE1 3.93Å; F243-Y267 HydrophobicContact CE1-CE1 3.93Å; F243-Y267 AromaticContact CE1-CE2 3.71Å; F243-Y267 HydrophobicContact CE1-CE2 3.71Å; F243-Y267 HydrophobicContact CE1-CG 4.13Å; F243-Y267 AromaticContact CE1-CZ 3.69Å
244D83.1Confident91.2Very high126 Ų12653.1 Ų53.167%0.67427%0.274SS*.Hα-helixtrans-89.5-33-177.6-64.5-35.2000112.2S241 Q242S241-D244 PolarHBondContact O-N 3.43Å; S241-D244 VanDerWaalsContact O-N 3.17Å; Q242-D244 VanDerWaalsContact C-N 3.27Å; Q242-D244 PolarHBondContact O-N 2.75Å
245E86.5Confident90.8Very high107 Ų10754.6 Ų54.650%0.528%0.284SS..Hα-helixtrans-109-24.3-168.5-61.9174.7-179.300114.7S241 V305S241-E245 WeakPolarHBondContact O-CB 3.26Å; S241-E245 WeakPolarHBondContact O-CG 3.07Å; S241-E245 PolarHBondContact O-N 2.73Å; E245-V305 HydrophobicContact CB-CB 4.24Å; E245-V305 WeakPolarHBondContact O-CB 3.47Å; E245-V305 WeakPolarHBondContact O-CG2 3.47Å; E245-V305 PolarHBondContact O-N 3.48Å
246E89.9Confident90.6Very high37 Ų3760.3 Ų60.317%0.17331%0.311CS..THydrogen-bonded Turntrans-122.6-40.4-168-162.3175-177.400113.4Q242 A270 R302 Q303Q242-E246 HydrophobicContact CB-CB 4.25Å; Q242-E246 PolarHBondContact NE2-OE2 2.9Å; Q242-E246 CarbonylContact O-C 3.59Å; Q242-E246 WeakPolarHBondContact O-CA 3.45Å; Q242-E246 WeakPolarHBondContact O-CB 3.26Å; Q242-E246 PolarHBondContact O-N 3.12Å; E246-A270 HydrophobicContact CG-CB 3.86Å; E246-A270 WeakPolarHBondContact OE1-CB 3.38Å; E246-R302 HydrophobicContact CG-CB 4.29Å; E246-R302 HydrophobicContact CG-CG 3.99Å; E246-R302 CarbonylContact O-C 3.53Å; E246-R302 WeakPolarHBondContact O-CA 3.23Å; E246-R302 WeakPolarHBondContact OE1-CD 3.11Å; E246-R302 IonicContact OE1-CZ 3.25Å; E246-R302 IonicContact OE1-NE 2.89Å; E246-R302 PolarHBondContact OE1-NE 2.88Å; E246-R302 IonicContact OE1-NH2 3.98Å; E246-Q303 PolarHBondContact O-N 2.9Å
247L96.1Very high90.3Very high3 Ų366.4 Ų66.42%0.01634%0.337CS..PPolyproline II helixtrans-94.3121.9-166.3-60.7176.8000113.9M234 A238 Q242 F243 Y267 A270 Q303M234-L247 HydrophobicContact CE-CD1 4.34Å; M234-L247 HydrophobicContact CE-CD2 4.17Å; M234-L247 HydrophobicContact CG-CD1 3.72Å; M234-L247 HydrophobicContact SD-CD1 3.91Å; M234-L247 HydrophobicContact SD-CD2 4.47Å; A238-L247 HydrophobicContact CB-CD1 3.94Å; Q242-L247 WeakPolarHBondContact O-CG 3.34Å; Q242-L247 PolarHBondContact O-N 2.9Å; F243-L247 HydrophobicContact CD1-CD1 4.1Å; F243-L247 HydrophobicContact CD2-CD1 4.41Å; F243-L247 HydrophobicContact CE1-CD1 4.2Å; F243-L247 HydrophobicContact CG-CD1 4.21Å; F243-L247 HydrophobicContact CZ-CD1 4.4Å; L247-Y267 HydrophobicContact CB-CD1 3.97Å; L247-A270 HydrophobicContact CD2-CB 3.88Å; L247-Q303 PolarHBondContact O-OE1 2.87Å
248Y97.8Very high90Very high72 Ų7271.6 Ų71.628%0.28237%0.374SS..PPolyproline II helixtrans-71.6132.2167.8-74.1-87.7000111.8Y267 L268 F301 Q303 H319Y248-Y267 CarbonylContact O-C 3.52Å; Y248-Y267 VanDerWaalsContact O-CA 3.29Å; Y248-Y267 WeakPolarHBondContact O-CA 3.43Å; Y248-L268 PolarHBondContact O-N 3.08Å; Y248-F301 HydrophobicContact CD2-CB 4.01Å; Y248-Q303 HydrophobicContact CD1-CG 3.96Å; Y248-Q303 HydrophobicContact CD2-CG 3.68Å; Y248-Q303 HydrophobicContact CE1-CG 3.88Å; Y248-Q303 HydrophobicContact CE2-CB 4.27Å; Y248-Q303 HydrophobicContact CE2-CG 3.62Å; Y248-Q303 HydrophobicContact CG-CG 3.86Å; Y248-H319 HydrophobicContact CE2-CB 4.44Å; Y248-H319 VanDerWaalsContact OH-CG 3.27Å; Y248-H319 PolarHBondContact OH-ND1 2.66Å
249K97.8Very high90Very high112 Ų11277.9 Ų77.949%0.48741%0.407SS..EExtended strand (participates in β ladder)trans-85.4133.4172.3-171.416868.51640111.6I251 E265 Y267K249-I251 HydrophobicContact CD-CD1 3.9Å; K249-I251 HydrophobicContact CG-CD1 3.93Å; K249-E265 HydrophobicContact CD-CG 4.45Å; K249-E265 IonicContact NZ-OE1 3.92Å; K249-E265 PolarHBondContact NZ-OE1 2.83Å; K249-Y267 HydrophobicContact CB-CD1 4.23Å; K249-Y267 HydrophobicContact CB-CE1 3.92Å; K249-Y267 HydrophobicContact CD-CE1 4.35Å; K249-Y267 HydrophobicContact CG-CE1 4.09Å
250V97.3Very high90Very high49 Ų4979.4 Ų79.430%0.29742%0.415SS..EExtended strand (participates in β ladder)trans-110.3126.9174.4-178.40000108.8K266 L268V250-K266 HydrophobicContact CB-CB 4.22Å; V250-K266 PolarHBondContact N-O 3.03Å; V250-K266 PolarHBondContact O-N 3.05Å; V250-L268 HydrophobicContact CG2-CD1 4.37Å; V250-L268 HydrophobicContact CG2-CD2 3.88Å; V250-L268 HydrophobicContact CG2-CG 3.62Å
251I96.3Very high90.3Very high93 Ų9381.5 Ų81.548%0.47744%0.436SS..EExtended strand (participates in β ladder)trans-108.9119.4178.5-60.4-57.3000108.3K249 I263 E265K249-I251 HydrophobicContact CD-CD1 3.9Å; K249-I251 HydrophobicContact CG-CD1 3.93Å; I251-I263 HydrophobicContact CG2-CG2 3.47Å; I251-I263 VanDerWaalsContact CG2-CG2 3.47Å; I251-E265 HydrophobicContact CD1-CB 4.44Å; I251-E265 HydrophobicContact CD1-CG 3.81Å
252G91.6Very high90.8Very high29 Ų2981.4 Ų81.430%0.29944%0.435SS..EExtended strand (participates in β ladder)trans-131.1170.3175.900000111.6I263 D264G252-I263 CarbonylContact O-C 3.58Å; G252-I263 WeakPolarHBondContact O-CA 3.38Å; G252-D264 PolarHBondContact N-O 2.98Å; G252-D264 VanDerWaalsContact N-O 3.1Å; G252-D264 PolarHBondContact O-N 3.07Å
253K92.1Very high91.1Very high126 Ų12685.1 Ų85.155%0.54846%0.455SS..EExtended strand (participates in β ladder)trans-69.9145.1167-65.6-169.1173.8-163.60109.7S255 S262K253-S255 WeakPolarHBondContact CB-O 3.39Å; K253-S255 PolarHBondContact O-N 3.5Å; K253-S262 WeakPolarHBondContact CA-O 3.42Å
254S86.8Confident91.4Very high61 Ų6186 Ų8643%0.42746%0.461SS..SBendtrans-71.8-17.3175.4-36.60000112.9S262 I263 D264S254-S262 WeakPolarHBondContact CB-OG 3.2Å; S254-S262 PolarHBondContact N-O 3.39Å; S254-S262 WeakPolarHBondContact OG-CB 3.47Å; S254-S262 PolarHBondContact OG-O 3.34Å; S254-S262 PolarHBondContact OG-OG 3.24Å; S254-I263 VanDerWaalsContact OG-C 3.24Å; S254-I263 PolarHBondContact OG-N 3.08Å; S254-I263 PolarHBondContact OG-O 3.44Å; S254-D264 PolarHBondContact OG-N 3.08Å
255S89.3Confident92Very high31 Ų3182.5 Ų82.522%0.21744%0.44CS..SBendtrans-142.2148.7-174.9177.60000110.4K253 K257 D260K253-S255 WeakPolarHBondContact CB-O 3.39Å; K253-S255 PolarHBondContact O-N 3.5Å; S255-K257 PolarHBondContact O-N 3.49Å; S255-K257 WeakPolarHBondContact OG-CB 3.26Å; S255-K257 WeakPolarHBondContact OG-CG 3.47Å; S255-K257 PolarHBondContact OG-N 3.29Å; S255-D260 WeakPolarHBondContact CB-OD2 3.4Å
256E90.5Very high92.5Very high203 Ų20379.4 Ų79.495%0.94943%0.426SS*.SBendtrans-77-4.1173.3-63.5175.6-168.300112.3
257K90.1Very high92.9Very high138 Ų13878.6 Ų78.660%0.642%0.421SS*.  trans-74.2137.3177.8-62.3-178.3179.41790111.4S255 D259 D260S255-K257 PolarHBondContact O-N 3.49Å; S255-K257 WeakPolarHBondContact OG-CB 3.26Å; S255-K257 WeakPolarHBondContact OG-CG 3.47Å; S255-K257 PolarHBondContact OG-N 3.29Å; K257-D259 VanDerWaalsContact C-N 3.31Å; K257-D259 VanDerWaalsContact CB-OD1 3.27Å; K257-D259 WeakPolarHBondContact CB-OD1 3.39Å; K257-D259 PolarHBondContact O-N 3.46Å; K257-D260 HydrophobicContact CB-CB 4.31Å; K257-D260 PolarHBondContact O-N 2.78Å
258S87.9Confident93Very high115 Ų11580.1 Ų80.180%0.80443%0.429SS*.THydrogen-bonded Turntrans-67.9-29.2-176.952.30000113.9
259D92.1Very high93.1Very high134 Ų13476.7 Ų76.772%0.71742%0.416SS*.THydrogen-bonded Turntrans-84.7-11.8-179.360.5-32.8000113.6K257K257-D259 VanDerWaalsContact C-N 3.31Å; K257-D259 VanDerWaalsContact CB-OD1 3.27Å; K257-D259 WeakPolarHBondContact CB-OD1 3.39Å; K257-D259 PolarHBondContact O-N 3.46Å
260D87.3Confident93.1Very high50 Ų5071.4 Ų71.427%0.26739%0.392SS..  trans-84.2119.3176-164.6-16000110.8S255 K257 S262S255-D260 WeakPolarHBondContact CB-OD2 3.4Å; K257-D260 HydrophobicContact CB-CB 4.31Å; K257-D260 PolarHBondContact O-N 2.78Å; D260-S262 VanDerWaalsContact CG-OG 3.28Å; D260-S262 WeakPolarHBondContact OD1-CB 3.1Å; D260-S262 PolarHBondContact OD1-N 3.17Å; D260-S262 PolarHBondContact OD1-OG 3.27Å; D260-S262 PolarHBondContact OD2-OG 3.25Å
261S89.3Confident93.1Very high111 Ų11169.4 Ų69.478%0.77638%0.381SS*.  trans-99.91.1177.860.50000113.2
262S92.8Very high93.2Very high48 Ų4865 Ų6534%0.33636%0.358SS..  trans-69.5144.9178.968.40000111.6K253 S254 D260K253-S262 WeakPolarHBondContact CA-O 3.42Å; S254-S262 WeakPolarHBondContact CB-OG 3.2Å; S254-S262 PolarHBondContact N-O 3.39Å; S254-S262 WeakPolarHBondContact OG-CB 3.47Å; S254-S262 PolarHBondContact OG-O 3.34Å; S254-S262 PolarHBondContact OG-OG 3.24Å; D260-S262 VanDerWaalsContact CG-OG 3.28Å; D260-S262 WeakPolarHBondContact OD1-CB 3.1Å; D260-S262 PolarHBondContact OD1-N 3.17Å; D260-S262 PolarHBondContact OD1-OG 3.27Å; D260-S262 PolarHBondContact OD2-OG 3.25Å
263I91.8Very high93.5Very high114 Ų11464.9 Ų64.959%0.58535%0.35SS*.EExtended strand (participates in β ladder)trans-110.5137-177.1-65.5177.1000108.8I251 G252 S254I251-I263 HydrophobicContact CG2-CG2 3.47Å; I251-I263 VanDerWaalsContact CG2-CG2 3.47Å; G252-I263 CarbonylContact O-C 3.58Å; G252-I263 WeakPolarHBondContact O-CA 3.38Å; S254-I263 VanDerWaalsContact OG-C 3.24Å; S254-I263 PolarHBondContact OG-N 3.08Å; S254-I263 PolarHBondContact OG-O 3.44Å
264D92.6Very high93.9Very high48 Ų4859.1 Ų59.126%0.25732%0.324SS..EExtended strand (participates in β ladder)trans-112.4131.8172-173.928.9000110.8G252 S254 K266G252-D264 PolarHBondContact N-O 2.98Å; G252-D264 VanDerWaalsContact N-O 3.1Å; G252-D264 PolarHBondContact O-N 3.07Å; S254-D264 PolarHBondContact OG-N 3.08Å; D264-K266 VanDerWaalsContact OD2-CE 3.3Å; D264-K266 WeakPolarHBondContact OD2-CE 3.38Å; D264-K266 IonicContact OD2-NZ 2.73Å; D264-K266 PolarHBondContact OD2-NZ 3.05Å
265E95.8Very high94.4Very high51 Ų5156.9 Ų56.924%0.23831%0.309CS..EExtended strand (participates in β ladder)trans-95.8122.1178.2-60.3-164.6136.300110.1K231 K249 I251K231-E265 HydrophobicContact CD-CB 4.39Å; K231-E265 PolarHBondContact N-O 2.86Å; K231-E265 IonicContact NZ-OE2 2.72Å; K231-E265 PolarHBondContact NZ-OE2 3.16Å; K249-E265 HydrophobicContact CD-CG 4.45Å; K249-E265 IonicContact NZ-OE1 3.92Å; K249-E265 PolarHBondContact NZ-OE1 2.83Å; I251-E265 HydrophobicContact CD1-CB 4.44Å; I251-E265 HydrophobicContact CD1-CG 3.81Å
266K97.6Very high94.9Very high43 Ų4355.4 Ų55.419%0.18730%0.298CS..EExtended strand (participates in β ladder)trans-122.3168.6173-57.6-176.6-177.164.10109.3F228 M229 V250 D264F228-K266 HydrophobicContact CB-CB 4.42Å; F228-K266 HydrophobicContact CD2-CD 3.59Å; F228-K266 HydrophobicContact CE2-CD 4Å; F228-K266 HydrophobicContact CG-CD 4.43Å; M229-K266 CarbonylContact O-C 3.56Å; M229-K266 VanDerWaalsContact O-CA 3.23Å; M229-K266 WeakPolarHBondContact O-CA 3.44Å; M229-K266 WeakPolarHBondContact O-CB 3.34Å; V250-K266 HydrophobicContact CB-CB 4.22Å; V250-K266 PolarHBondContact N-O 3.03Å; V250-K266 PolarHBondContact O-N 3.05Å; D264-K266 VanDerWaalsContact OD2-CE 3.3Å; D264-K266 WeakPolarHBondContact OD2-CE 3.38Å; D264-K266 IonicContact OD2-NZ 2.73Å; D264-K266 PolarHBondContact OD2-NZ 3.05Å
267Y98.6Very high95.3Very high20 Ų2045.8 Ų45.88%0.07825%0.253CS..EExtended strand (participates in β ladder)trans-130.7135.3178-69.5-93.7000109.7F228 M229 K231 M234 F243 L247 Y248 K249F228-Y267 CarbonylContact C-O 3.39Å; F228-Y267 WeakPolarHBondContact CA-O 3.49Å; M229-Y267 PolarHBondContact N-O 2.9Å; M229-Y267 PolarHBondContact O-N 3.15Å; K231-Y267 HydrophobicContact CB-CD2 4.29Å; K231-Y267 HydrophobicContact CB-CE2 3.87Å; K231-Y267 HydrophobicContact CD-CE2 4.18Å; K231-Y267 HydrophobicContact CG-CE2 3.78Å; M234-Y267 HydrophobicContact CG-CG 4.45Å; F243-Y267 AromaticContact CD1-CD1 3.99Å; F243-Y267 HydrophobicContact CD1-CD1 3.99Å; F243-Y267 HydrophobicContact CD1-CD2 4.49Å; F243-Y267 AromaticContact CD1-CE1 3.52Å; F243-Y267 HydrophobicContact CD1-CE1 3.52Å; F243-Y267 HydrophobicContact CD1-CE2 4.1Å; F243-Y267 HydrophobicContact CD1-CG 4.43Å; F243-Y267 AromaticContact CD1-CZ 3.57Å; F243-Y267 HydrophobicContact CE1-CD1 4.15Å; F243-Y267 AromaticContact CE1-CD2 3.91Å; F243-Y267 HydrophobicContact CE1-CD2 3.91Å; F243-Y267 AromaticContact CE1-CE1 3.93Å; F243-Y267 HydrophobicContact CE1-CE1 3.93Å; F243-Y267 AromaticContact CE1-CE2 3.71Å; F243-Y267 HydrophobicContact CE1-CE2 3.71Å; F243-Y267 HydrophobicContact CE1-CG 4.13Å; F243-Y267 AromaticContact CE1-CZ 3.69Å; L247-Y267 HydrophobicContact CB-CD1 3.97Å; Y248-Y267 CarbonylContact O-C 3.52Å; Y248-Y267 VanDerWaalsContact O-CA 3.29Å; Y248-Y267 WeakPolarHBondContact O-CA 3.43Å; K249-Y267 HydrophobicContact CB-CD1 4.23Å; K249-Y267 HydrophobicContact CB-CE1 3.92Å; K249-Y267 HydrophobicContact CD-CE1 4.35Å; K249-Y267 HydrophobicContact CG-CE1 4.09Å
268L98.7Very high95.6Very high35 Ų3540 Ų4018%0.18323%0.231CC..EExtended strand (participates in β ladder)trans-66.3144.9170.2-67.7174.2000109.5F227 F228 Y248 V250 F301F227-L268 CarbonylContact O-C 3.56Å; F227-L268 VanDerWaalsContact O-CA 3.25Å; F227-L268 WeakPolarHBondContact O-CA 3.43Å; F227-L268 WeakPolarHBondContact O-CD2 3.32Å; F228-L268 HydrophobicContact CB-CD2 4.28Å; Y248-L268 PolarHBondContact O-N 3.08Å; V250-L268 HydrophobicContact CG2-CD1 4.37Å; V250-L268 HydrophobicContact CG2-CD2 3.88Å; V250-L268 HydrophobicContact CG2-CG 3.62Å; L268-F301 HydrophobicContact CB-CB 3.82Å; L268-F301 HydrophobicContact CB-CD2 3.83Å; L268-F301 HydrophobicContact CB-CG 3.92Å; L268-F301 HydrophobicContact CD1-CB 4.08Å; L268-F301 HydrophobicContact CD1-CD1 3.81Å; L268-F301 HydrophobicContact CD1-CD2 4.1Å; L268-F301 HydrophobicContact CD1-CE1 4.24Å; L268-F301 HydrophobicContact CD1-CG 3.72Å; L268-F301 HydrophobicContact CD2-CD2 4.21Å; L268-F301 HydrophobicContact CD2-CE2 4.24Å; L268-F301 HydrophobicContact CG-CD2 4.26Å; L268-F301 HydrophobicContact CG-CG 4.29Å
269I98.6Very high96.2Very high0 Ų039.8 Ų39.80%022%0.216CC..  trans-76.1139.7-17966.5174.2000110.6F227 M229 M234 Q274 P275 F301F227-I269 HydrophobicContact CD1-CD1 4.18Å; F227-I269 PolarHBondContact O-N 3.02Å; M229-I269 HydrophobicContact CG-CG2 3.82Å; M229-I269 HydrophobicContact SD-CG2 3.94Å; M234-I269 HydrophobicContact CE-CG2 4.32Å; I269-Q274 VanDerWaalsContact CA-OE1 3.26Å; I269-P275 HydrophobicContact CD1-CG 4.02Å; I269-P275 HydrophobicContact CG2-CG 4.18Å; I269-F301 PolarHBondContact O-N 3.35Å
270A97.8Very high96.4Very high0 Ų034 Ų340%019%0.185CC..SBendtrans-90.4-11.9172.100000112.9E246 L247 C300 F301 R302E246-A270 HydrophobicContact CG-CB 3.86Å; E246-A270 WeakPolarHBondContact OE1-CB 3.38Å; L247-A270 HydrophobicContact CD2-CB 3.88Å; A270-C300 WeakPolarHBondContact O-CB 3.31Å; A270-F301 WeakPolarHBondContact CA-O 3.37Å; A270-R302 HydrophobicContact CB-CG 4.06Å; A270-R302 PolarHBondContact O-NE 2.84Å; A270-R302 PolarHBondContact O-NH2 2.87Å
271T98.3Very high97Very high8 Ų834.6 Ų34.65%0.04918%0.183CC..SBendtrans-165.3146.8-178.3173.20000109E273 Q274 P275 K323 E325T271-E273 HydrophobicContact CG2-CB 3.65Å; T271-E273 PolarHBondContact O-N 3.01Å; T271-E273 WeakPolarHBondContact OG1-CB 3.44Å; T271-E273 PolarHBondContact OG1-N 3.28Å; T271-E273 VanDerWaalsContact OG1-N 3.17Å; T271-Q274 HydrophobicContact CG2-CG 3.9Å; T271-Q274 PolarHBondContact O-N 3.23Å; T271-P275 WeakPolarHBondContact O-CD 3.47Å; T271-K323 PolarHBondContact OG1-NZ 3.33Å; T271-E325 PolarHBondContact OG1-OE1 2.94Å
272S98.3Very high97.4Very high0 Ų033.6 Ų33.60%017%0.167CC..THydrogen-bonded Turntrans-63.8-16.517048.70000112.8Q274 P275 I276 S298 E325S272-Q274 PolarHBondContact O-N 2.99Å; S272-P275 WeakPolarHBondContact O-CD 3.27Å; S272-P275 WeakPolarHBondContact O-CG 3.45Å; S272-I276 WeakPolarHBondContact O-CB 3.39Å; S272-I276 WeakPolarHBondContact O-CD1 3.31Å; S272-I276 WeakPolarHBondContact O-CG1 3.21Å; S272-I276 PolarHBondContact O-N 3.32Å; S272-S298 WeakPolarHBondContact CB-OG 3.07Å; S272-E325 WeakPolarHBondContact OG-CB 3.25Å
273E98.5Very high97.6Very high27 Ų2735.4 Ų35.413%0.12617%0.17CC..Hα-helixtrans-50-42.9169.3-174.5-159.7162.900112.3T271 I276 A277 F327 Q402 N427T271-E273 HydrophobicContact CG2-CB 3.65Å; T271-E273 PolarHBondContact O-N 3.01Å; T271-E273 WeakPolarHBondContact OG1-CB 3.44Å; T271-E273 PolarHBondContact OG1-N 3.28Å; T271-E273 VanDerWaalsContact OG1-N 3.17Å; E273-I276 PolarHBondContact O-N 2.96Å; E273-A277 WeakPolarHBondContact O-CB 3.48Å; E273-A277 PolarHBondContact O-N 3.21Å; E273-F327 HydrophobicContact CB-CD2 4.4Å; E273-F327 HydrophobicContact CB-CE2 4.48Å; E273-F327 HydrophobicContact CG-CD2 3.9Å; E273-F327 HydrophobicContact CG-CE2 3.58Å; E273-Q402 PolarHBondContact OE1-NE2 2.96Å; E273-N427 HydrophobicContact CB-CB 4.46Å; E273-N427 VanDerWaalsContact CD-CG 3.5Å; E273-N427 HydrophobicContact CG-CB 3.77Å; E273-N427 PolarHBondContact OE1-ND2 3.35Å
274Q98.6Very high97.9Very high4 Ų437.3 Ų37.32%0.01917%0.17CC..Hα-helixtrans-62.3-55.7-175.8-70.6161.8-2000112.8M229 M234 V237 I269 T271 S272 A278M229-Q274 HydrophobicContact SD-CB 3.65Å; M234-Q274 HydrophobicContact SD-CB 4.44Å; M234-Q274 HydrophobicContact SD-CG 4.25Å; V237-Q274 HydrophobicContact CG2-CB 3.86Å; V237-Q274 HydrophobicContact CG2-CG 4.02Å; I269-Q274 VanDerWaalsContact CA-OE1 3.26Å; T271-Q274 HydrophobicContact CG2-CG 3.9Å; T271-Q274 PolarHBondContact O-N 3.23Å; S272-Q274 PolarHBondContact O-N 2.99Å; Q274-A278 PolarHBondContact O-N 3.48Å
275P98.8Very high98.1Very high14 Ų1435.4 Ų35.49%0.09116%0.159CC..Hα-helixtrans-69.7-31.6177.226.4-35000112.4T225 M229 I269 T271 S272 A278 F279T225-P275 HydrophobicContact CG2-CB 4.35Å; T225-P275 HydrophobicContact CG2-CG 3.86Å; M229-P275 HydrophobicContact CG-CB 4.48Å; M229-P275 HydrophobicContact SD-CB 4.09Å; I269-P275 HydrophobicContact CD1-CG 4.02Å; I269-P275 HydrophobicContact CG2-CG 4.18Å; T271-P275 WeakPolarHBondContact O-CD 3.47Å; S272-P275 WeakPolarHBondContact O-CD 3.27Å; S272-P275 WeakPolarHBondContact O-CG 3.45Å; P275-A278 PolarHBondContact O-N 3.3Å; P275-F279 PolarHBondContact O-N 3.35Å
276I98.8Very high98.2Very high1 Ų138.4 Ų38.41%0.00517%0.172CC..Hα-helixtrans-68.2-47.7177.2-63.3170.1000110.2L223 T225 S272 E273 A278 F279 Y294 G296 F327 Y329L223-I276 HydrophobicContact CD2-CD1 4.41Å; L223-I276 HydrophobicContact CD2-CG1 3.86Å; L223-I276 HydrophobicContact CD2-CG2 4.42Å; T225-I276 HydrophobicContact CG2-CD1 4.22Å; T225-I276 HydrophobicContact CG2-CG1 3.77Å; S272-I276 WeakPolarHBondContact O-CB 3.39Å; S272-I276 WeakPolarHBondContact O-CD1 3.31Å; S272-I276 WeakPolarHBondContact O-CG1 3.21Å; S272-I276 PolarHBondContact O-N 3.32Å; E273-I276 PolarHBondContact O-N 2.96Å; I276-A278 PolarHBondContact O-N 3.42Å; I276-F279 WeakPolarHBondContact O-CB 3.44Å; I276-F279 PolarHBondContact O-N 3.04Å; I276-Y294 HydrophobicContact CG2-CD2 3.85Å; I276-Y294 HydrophobicContact CG2-CG 4.29Å; I276-G296 VanDerWaalsContact CD1-CA 3.48Å; I276-F327 HydrophobicContact CB-CB 4.44Å; I276-F327 HydrophobicContact CB-CD2 4.34Å; I276-F327 HydrophobicContact CB-CG 4.17Å; I276-F327 HydrophobicContact CD1-CB 4.32Å; I276-F327 HydrophobicContact CG2-CB 3.73Å; I276-F327 HydrophobicContact CG2-CD1 3.52Å; I276-F327 HydrophobicContact CG2-CD2 4.12Å; I276-F327 HydrophobicContact CG2-CE1 4.2Å; I276-F327 HydrophobicContact CG2-CG 3.49Å; I276-F327 VanDerWaalsContact CG2-CG 3.49Å; I276-Y329 PolarHBondContact O-OH 2.92Å
277A98.5Very high98.1Very high0 Ų038.3 Ų38.30%018%0.175CC..Hα-helixtrans-52.3-45.1176.300000111.2V237 E273 F279 F327 Y329 L406 I408 M425V237-A277 HydrophobicContact CG1-CB 3.98Å; E273-A277 WeakPolarHBondContact O-CB 3.48Å; E273-A277 PolarHBondContact O-N 3.21Å; A277-F279 VanDerWaalsContact C-N 3.29Å; A277-F279 PolarHBondContact O-N 2.9Å; A277-F327 HydrophobicContact CB-CE2 4.06Å; A277-F327 HydrophobicContact CB-CZ 3.86Å; A277-Y329 PolarHBondContact O-OH 3.46Å; A277-L406 HydrophobicContact CB-CD1 3.97Å; A277-L406 VanDerWaalsContact O-CD1 3.31Å; A277-L406 WeakPolarHBondContact O-CD1 3.49Å; A277-I408 WeakPolarHBondContact O-CD1 3.26Å; A277-M425 HydrophobicContact CB-CE 3.47Å; A277-M425 VanDerWaalsContact CB-CE 3.47Å
278A98.4Very high98Very high16 Ų1644.4 Ų44.413%0.13220%0.204CC..G310 helixtrans-76.8-6.4178.400000115.1M229 V233 V237 Q274 P275 I276 L280 R281 L406M229-A278 HydrophobicContact CE-CB 3.79Å; V233-A278 HydrophobicContact CG1-CB 3.59Å; V237-A278 HydrophobicContact CG1-CB 4.37Å; Q274-A278 PolarHBondContact O-N 3.48Å; P275-A278 PolarHBondContact O-N 3.3Å; I276-A278 PolarHBondContact O-N 3.42Å; A278-L280 PolarHBondContact O-N 3.32Å; A278-R281 WeakPolarHBondContact O-CB 3.22Å; A278-R281 PolarHBondContact O-N 2.82Å; A278-L406 HydrophobicContact CB-CD2 4.16Å
279F98.6Very high98Very high112 Ų11246.9 Ų46.949%0.49122%0.218SC..G310 helixtrans-63.4-41.3-174.7-173.7-113.3000112.3P275 I276 A277 Y294P275-F279 PolarHBondContact O-N 3.35Å; I276-F279 WeakPolarHBondContact O-CB 3.44Å; I276-F279 PolarHBondContact O-N 3.04Å; A277-F279 VanDerWaalsContact C-N 3.29Å; A277-F279 PolarHBondContact O-N 2.9Å; F279-Y294 HydrophobicContact CD1-CE2 4.24Å; F279-Y294 WeakPolarHBondContact CE1-OH 3.5Å
280L98.2Very high98Very high11 Ų1148 Ų486%0.05822%0.224CC..G310 helixtrans-101.826.4178.7-54.2178.1000112.3A278 E282 E283 L285 I292 Y329 I408A278-L280 PolarHBondContact O-N 3.32Å; L280-E282 PolarHBondContact O-N 3.22Å; L280-E283 HydrophobicContact CB-CB 4.45Å; L280-E283 HydrophobicContact CB-CG 4.41Å; L280-E283 WeakPolarHBondContact O-CB 3.34Å; L280-E283 WeakPolarHBondContact O-CG 3.39Å; L280-E283 PolarHBondContact O-N 3.06Å; L280-L285 HydrophobicContact CB-CD2 4.41Å; L280-L285 HydrophobicContact CD1-CD1 3.93Å; L280-L285 HydrophobicContact CD1-CD2 3.91Å; L280-I292 HydrophobicContact CD1-CD1 4.14Å; L280-Y329 HydrophobicContact CD1-CD2 3.91Å; L280-Y329 HydrophobicContact CD1-CE1 4.36Å; L280-Y329 HydrophobicContact CD1-CE2 3.66Å; L280-Y329 HydrophobicContact CD1-CG 4.35Å; L280-Y329 HydrophobicContact CG-CE2 4.25Å; L280-I408 HydrophobicContact CB-CD1 4.33Å; L280-I408 HydrophobicContact CB-CG2 4.42Å; L280-I408 WeakPolarHBondContact O-CG1 3.46Å
281R98.2Very high98Very high64 Ų6450.9 Ų50.924%0.24224%0.243CC..THydrogen-bonded Turntrans-55.3135.1-179.5177.1-179.6-176.9-131.76.3110.5E236 A278 E283 L406E236-R281 VanDerWaalsContact CD-NH2 3.29Å; E236-R281 IonicContact OE1-CZ 2.79Å; E236-R281 IonicContact OE1-NE 3.97Å; E236-R281 IonicContact OE1-NH2 2.86Å; E236-R281 PolarHBondContact OE1-NH2 2.82Å; E236-R281 WeakPolarHBondContact OE2-CD 3.25Å; E236-R281 IonicContact OE2-CZ 3.4Å; E236-R281 IonicContact OE2-NE 2.66Å; E236-R281 PolarHBondContact OE2-NE 2.81Å; E236-R281 IonicContact OE2-NH2 3.19Å; E236-R281 PolarHBondContact OE2-NH2 3.33Å; A278-R281 WeakPolarHBondContact O-CB 3.22Å; A278-R281 PolarHBondContact O-N 2.82Å; R281-E283 PolarHBondContact O-N 3.19Å; R281-L406 HydrophobicContact CB-CD2 4.28Å; R281-L406 HydrophobicContact CG-CD2 4.12Å
282E97.6Very high98Very high90 Ų9052.1 Ų52.142%0.42125%0.249SC..THydrogen-bonded Turntrans67.72.6-177.6-64.6179.3-147.800117L280 L406 R407 R409L280-E282 PolarHBondContact O-N 3.22Å; E282-L406 PolarHBondContact N-O 2.76Å; E282-R407 CarbonylContact C-O 3.56Å; E282-R407 WeakPolarHBondContact CA-O 3.21Å; E282-R407 VanDerWaalsContact CD-CZ 3.44Å; E282-R407 HydrophobicContact CG-CB 4.36Å; E282-R407 IonicContact OE1-CZ 2.87Å; E282-R407 VanDerWaalsContact OE1-CZ 3.29Å; E282-R407 IonicContact OE1-NH1 2.83Å; E282-R407 PolarHBondContact OE1-NH1 3.41Å; E282-R407 IonicContact OE1-NH2 3.54Å; E282-R407 PolarHBondContact OE1-NH2 3.42Å; E282-R407 IonicContact OE2-CZ 3.83Å; E282-R407 IonicContact OE2-NH1 3.87Å; E282-R407 IonicContact OE2-NH2 3.02Å; E282-R409 PolarHBondContact O-NH1 3.23Å
283E98Very high98.1Very high86 Ų8654 Ų5440%0.40226%0.256SS..  trans-78.9164.2-177.7-64.2-167.9-164.100114.6L280 R281 L285 R409L280-E283 HydrophobicContact CB-CB 4.45Å; L280-E283 HydrophobicContact CB-CG 4.41Å; L280-E283 WeakPolarHBondContact O-CB 3.34Å; L280-E283 WeakPolarHBondContact O-CG 3.39Å; L280-E283 PolarHBondContact O-N 3.06Å; R281-E283 PolarHBondContact O-N 3.19Å; E283-L285 HydrophobicContact CB-CD2 4.02Å; E283-R409 PolarHBondContact O-N 3.5Å
284W97.5Very high98.1Very high154 Ų15454 Ų5458%0.58326%0.255SS*.EExtended strand (participates in β ladder)trans-114.5106169-70.280.6000108.5R409 A420W284-R409 HydrophobicContact CD2-CB 3.74Å; W284-R409 HydrophobicContact CD2-CG 4.37Å; W284-R409 HydrophobicContact CE3-CB 3.52Å; W284-R409 HydrophobicContact CE3-CG 4.38Å; W284-R409 HydrophobicContact CG-CB 4.26Å; W284-R409 HydrophobicContact CH2-CB 4.47Å; W284-R409 HydrophobicContact CZ3-CB 3.92Å; W284-R409 HydrophobicContact CZ3-CG 4.49Å; W284-A420 HydrophobicContact CH2-CB 3.88Å; W284-A420 HydrophobicContact CZ3-CB 4.22Å
285L97.9Very high98.1Very high7 Ų753.9 Ų53.94%0.03725%0.254CS..EExtended strand (participates in β ladder)trans-86.1132.4-175.5-54.1-172.3000110.4L280 E283 L290 I292 Y329 I408 R409 G411 V423L280-L285 HydrophobicContact CB-CD2 4.41Å; L280-L285 HydrophobicContact CD1-CD1 3.93Å; L280-L285 HydrophobicContact CD1-CD2 3.91Å; E283-L285 HydrophobicContact CB-CD2 4.02Å; L285-L290 HydrophobicContact CB-CD2 4.42Å; L285-L290 HydrophobicContact CD1-CD2 4.2Å; L285-I292 HydrophobicContact CD1-CD1 4.18Å; L285-I292 HydrophobicContact CD2-CD1 4.48Å; L285-Y329 HydrophobicContact CD1-CD1 4.2Å; L285-Y329 HydrophobicContact CD1-CG 4.26Å; L285-I408 HydrophobicContact CD1-CG2 3.67Å; L285-I408 HydrophobicContact CG-CG2 3.88Å; L285-R409 PolarHBondContact N-O 2.95Å; L285-G411 WeakPolarHBondContact O-CA 3.48Å; L285-G411 PolarHBondContact O-N 2.69Å; L285-V423 HydrophobicContact CB-CG1 4.24Å; L285-V423 HydrophobicContact CD1-CG1 4.07Å; L285-V423 HydrophobicContact CD1-CG2 4.2Å; L285-V423 HydrophobicContact CG-CG1 4.48Å
286K96.6Very high98.1Very high115 Ų11553.2 Ų53.250%0.525%0.25SC..  trans-75.4141.4179.9-58.7176.6-174.3167.50110.3E288 D289K286-E288 HydrophobicContact CB-CG 4.09Å; K286-E288 PolarHBondContact O-N 3.48Å; K286-D289 WeakPolarHBondContact CB-OD2 3.33Å; K286-D289 PolarHBondContact O-N 3.37Å; K286-D289 VanDerWaalsContact O-N 3.1Å
287P96.6Very high98.1Very high41 Ų4155.9 Ų55.927%0.26626%0.261SS..G310 helixtrans-53.8-39.3177.4-29.436.9000114.1D289 L290 Y410 G411 Q412P287-D289 VanDerWaalsContact C-N 3.27Å; P287-D289 PolarHBondContact O-N 2.95Å; P287-L290 PolarHBondContact O-N 2.56Å; P287-Y410 HydrophobicContact CB-CE2 3.99Å; P287-Y410 WeakPolarHBondContact CB-OH 3.18Å; P287-Y410 HydrophobicContact CG-CE1 4.2Å; P287-Y410 HydrophobicContact CG-CE2 3.89Å; P287-Y410 WeakPolarHBondContact CG-OH 3.42Å; P287-G411 WeakPolarHBondContact CD-O 3.32Å; P287-Q412 HydrophobicContact CG-CB 4.24Å
288E96.8Very high98.1Very high147 Ų14755.9 Ų55.969%0.68726%0.261SS*.G310 helixtrans-69-19.3-179.456.1-94.1-149.400114.6K286K286-E288 HydrophobicContact CB-CG 4.09Å; K286-E288 PolarHBondContact O-N 3.48Å
289D97.4Very high98.1Very high88 Ų8855.9 Ų55.947%0.47126%0.26SS..G310 helixtrans-86.7-13.1177.1-61.5-31.2000111.6K286 P287 P291 I292K286-D289 WeakPolarHBondContact CB-OD2 3.33Å; K286-D289 PolarHBondContact O-N 3.37Å; K286-D289 VanDerWaalsContact O-N 3.1Å; P287-D289 VanDerWaalsContact C-N 3.27Å; P287-D289 PolarHBondContact O-N 2.95Å; D289-P291 CarbonylContact O-C 3.57Å; D289-I292 HydrophobicContact CB-CD1 4.45Å; D289-I292 HydrophobicContact CB-CG1 4.48Å; D289-I292 WeakPolarHBondContact O-CG1 3.29Å
290L98.2Very high98.1Very high24 Ų2450.6 Ų50.613%0.12624%0.236CC..PPolyproline II helixtrans-89.8139.3-178.1-61.7171.4000111.5L285 P287 I292 Y329 Y410 V423L285-L290 HydrophobicContact CB-CD2 4.42Å; L285-L290 HydrophobicContact CD1-CD2 4.2Å; P287-L290 PolarHBondContact O-N 2.56Å; L290-I292 HydrophobicContact CD2-CD1 4.33Å; L290-I292 HydrophobicContact CD2-CG1 4.19Å; L290-Y329 WeakPolarHBondContact CD2-O 3.42Å; L290-Y410 HydrophobicContact CD1-CD2 3.7Å; L290-Y410 HydrophobicContact CD1-CE2 3.81Å; L290-V423 HydrophobicContact CD1-CG1 3.9Å; L290-V423 HydrophobicContact CD2-CG1 4.39Å
291P98.6Very high98.1Very high60 Ų6051.6 Ų51.639%0.3924%0.241SC..SBendcis-81.31353.431.4-34.1000113.6D289 V328 Y329 M340D289-P291 CarbonylContact O-C 3.57Å; P291-V328 HydrophobicContact CB-CG1 3.83Å; P291-Y329 CarbonylContact C-O 3.55Å; P291-Y329 WeakPolarHBondContact CA-O 3.44Å; P291-M340 HydrophobicContact CB-CE 3.78Å; P291-M340 HydrophobicContact CG-CE 3.73Å
292I98.9Very high98.1Very high34 Ų3451.2 Ų51.217%0.17424%0.239CC..EExtended strand (participates in β ladder)trans-89.8126170.4-58.3171.1000108.1L280 L285 D289 L290 Y294 V328 Y329L280-I292 HydrophobicContact CD1-CD1 4.14Å; L285-I292 HydrophobicContact CD1-CD1 4.18Å; L285-I292 HydrophobicContact CD2-CD1 4.48Å; D289-I292 HydrophobicContact CB-CD1 4.45Å; D289-I292 HydrophobicContact CB-CG1 4.48Å; D289-I292 WeakPolarHBondContact O-CG1 3.29Å; L290-I292 HydrophobicContact CD2-CD1 4.33Å; L290-I292 HydrophobicContact CD2-CG1 4.19Å; I292-Y294 HydrophobicContact CG2-CD2 4.26Å; I292-Y294 HydrophobicContact CG2-CE2 3.64Å; I292-V328 WeakPolarHBondContact O-CA 3.3Å; I292-Y329 HydrophobicContact CB-CD2 4.28Å; I292-Y329 HydrophobicContact CG2-CD2 4.42Å; I292-Y329 PolarHBondContact N-O 3.41Å; I292-Y329 PolarHBondContact O-N 3.44Å
293R98.8Very high97.9Very high39 Ų3949.8 Ų49.815%0.14723%0.232CC..EExtended strand (participates in β ladder)trans-120.4124.7-171.7-56.8176.9179.3-143.4-8.5110.9K218 Y220 T221 V328 E343K218-R293 PolarHBondContact O-NH1 3.13Å; Y220-R293 HydrophobicContact CD1-CB 3.72Å; Y220-R293 HydrophobicContact CD2-CB 4.25Å; Y220-R293 HydrophobicContact CE1-CB 3.95Å; Y220-R293 HydrophobicContact CE2-CB 4.45Å; Y220-R293 HydrophobicContact CG-CB 3.87Å; T221-R293 PolarHBondContact N-O 3.06Å; R293-V328 HydrophobicContact CB-CG2 4.49Å; R293-V328 HydrophobicContact CG-CG1 4.35Å; R293-V328 HydrophobicContact CG-CG2 4.16Å; R293-E343 IonicContact CZ-OE1 3.05Å; R293-E343 IonicContact NH1-OE1 2.65Å; R293-E343 PolarHBondContact NH1-OE1 3.03Å; R293-E343 VanDerWaalsContact NH2-CD 3.32Å; R293-E343 IonicContact NH2-OE1 3.52Å; R293-E343 PolarHBondContact NH2-OE1 3.12Å; R293-E343 IonicContact NH2-OE2 2.7Å; R293-E343 PolarHBondContact NH2-OE2 3.22Å
294Y98.9Very high97.4Very high28 Ų2847 Ų4711%0.1122%0.219CC..EExtended strand (participates in β ladder)trans-119.2132.7176.3-70.6-64000112.3Y220 T221 L223 I276 F279 I292 F327 Y329Y220-Y294 WeakPolarHBondContact CD1-O 3.27Å; T221-Y294 HydrophobicContact CG2-CD1 4.16Å; T221-Y294 HydrophobicContact CG2-CE1 4.01Å; T221-Y294 CarbonylContact O-C 3.55Å; T221-Y294 WeakPolarHBondContact O-CA 3.2Å; L223-Y294 HydrophobicContact CB-CD1 3.97Å; L223-Y294 HydrophobicContact CB-CG 4.5Å; L223-Y294 HydrophobicContact CD2-CD1 3.65Å; L223-Y294 HydrophobicContact CD2-CD2 4.31Å; L223-Y294 HydrophobicContact CD2-CE1 4.01Å; L223-Y294 HydrophobicContact CD2-CG 3.83Å; L223-Y294 HydrophobicContact CG-CD1 4.39Å; I276-Y294 HydrophobicContact CG2-CD2 3.85Å; I276-Y294 HydrophobicContact CG2-CG 4.29Å; F279-Y294 HydrophobicContact CD1-CE2 4.24Å; F279-Y294 WeakPolarHBondContact CE1-OH 3.5Å; I292-Y294 HydrophobicContact CG2-CD2 4.26Å; I292-Y294 HydrophobicContact CG2-CE2 3.64Å; Y294-F327 PolarHBondContact N-O 2.86Å; Y294-F327 PolarHBondContact O-N 2.68Å; Y294-Y329 HydrophobicContact CD2-CD2 4.45Å; Y294-Y329 HydrophobicContact CD2-CE2 4.08Å; Y294-Y329 HydrophobicContact CE2-CD2 4.36Å; Y294-Y329 AromaticContact CE2-CE2 3.98Å; Y294-Y329 HydrophobicContact CE2-CE2 3.98Å
295A98.9Very high96.5Very high0 Ų043.7 Ų43.70%022%0.216CC..EExtended strand (participates in β ladder)trans-96.293.7167.100000108.2L212 L215 T221 M222 L223 E325L212-A295 HydrophobicContact CD2-CB 4.31Å; L215-A295 HydrophobicContact CB-CB 3.88Å; L215-A295 HydrophobicContact CD1-CB 3.55Å; L215-A295 HydrophobicContact CG-CB 4.38Å; T221-A295 PolarHBondContact O-N 3.16Å; M222-A295 HydrophobicContact CE-CB 3.37Å; M222-A295 HydrophobicContact SD-CB 3.66Å; L223-A295 PolarHBondContact N-O 3.44Å; A295-E325 CarbonylContact C-O 3.54Å; A295-E325 VanDerWaalsContact CA-O 3.26Å; A295-E325 WeakPolarHBondContact CA-O 3.34Å
296G98.8Very high95.2Very high0 Ų047.2 Ų47.20%025%0.254CS..EExtended strand (participates in β ladder)trans-72.6124.9-179.400000111.8L223 I276 I324 E325L223-G296 CarbonylContact O-C 3.5Å; L223-G296 WeakPolarHBondContact O-CA 3.17Å; I276-G296 VanDerWaalsContact CD1-CA 3.48Å; G296-I324 CarbonylContact O-C 3.57Å; G296-I324 VanDerWaalsContact O-CA 3.28Å; G296-I324 WeakPolarHBondContact O-CA 3.44Å; G296-E325 PolarHBondContact N-O 3.47Å; G296-E325 PolarHBondContact O-N 3.13Å
297F98.4Very high94Very high57 Ų5742.5 Ų42.525%0.2524%0.235CC..EExtended strand (participates in β ladder)trans-117.4117.8171.9171.7-134000110.1I208 L212 L223 Y224 E322I208-F297 HydrophobicContact CD1-CE2 4.05Å; I208-F297 HydrophobicContact CD1-CZ 4.3Å; I208-F297 HydrophobicContact CG1-CE2 4.3Å; I208-F297 HydrophobicContact CG2-CD2 4.31Å; I208-F297 HydrophobicContact CG2-CE2 4Å; I208-F297 HydrophobicContact CG2-CZ 4.18Å; L212-F297 HydrophobicContact CD2-CB 4.43Å; L223-F297 PolarHBondContact O-N 3.14Å; Y224-F297 AromaticContact CD2-CD1 3.97Å; Y224-F297 HydrophobicContact CD2-CD1 3.97Å; Y224-F297 HydrophobicContact CD2-CE1 4.35Å; F297-E322 HydrophobicContact CE2-CG 4.48Å
298S98.8Very high92.5Very high0 Ų049.6 Ų49.60%027%0.265CS..EExtended strand (participates in β ladder)trans-154.7159.2177.672.40000113.4T225 S272 K323T225-S298 WeakPolarHBondContact OG1-CB 3.33Å; S272-S298 WeakPolarHBondContact CB-OG 3.07Å; S298-K323 PolarHBondContact N-O 2.69Å; S298-K323 PolarHBondContact O-N 2.81Å
299T98.9Very high91.1Very high17 Ų1745.2 Ų45.210%0.10426%0.259CS..EExtended strand (participates in β ladder)trans-78.7132.8157.6-54.20000108.5F227 F301 Q320 E322F227-T299 VanDerWaalsContact CZ-N 3.33Å; T299-F301 HydrophobicContact CG2-CE1 4.16Å; T299-F301 HydrophobicContact CG2-CE2 3.88Å; T299-F301 HydrophobicContact CG2-CZ 3.63Å; T299-Q320 HydrophobicContact CG2-CG 3.37Å; T299-E322 PolarHBondContact OG1-OE1 3.47Å
300C98.7Very high89.9Confident0 Ų048.5 Ų48.50%027%0.265CS..EExtended strand (participates in β ladder)trans-106.5141.5179.3-60.40000109.9A270 Q320 F321A270-C300 WeakPolarHBondContact O-CB 3.31Å; C300-Q320 WeakPolarHBondContact O-CA 3.36Å; C300-F321 HydrophobicContact CB-CD1 4.38Å; C300-F321 HydrophobicContact CB-CD2 4.05Å; C300-F321 HydrophobicContact CB-CE1 3.94Å; C300-F321 HydrophobicContact CB-CE2 3.58Å; C300-F321 HydrophobicContact CB-CG 4.43Å; C300-F321 HydrophobicContact CB-CZ 3.52Å; C300-F321 PolarHBondContact N-O 3.22Å; C300-F321 PolarHBondContact O-N 3.35Å; C300-F321 VanDerWaalsContact O-N 3.09Å
301F98.6Very high89Confident33 Ų3349.5 Ų49.515%0.14527%0.27CS..EExtended strand (participates in β ladder)trans-123.4121.9-178.4-58-90.9000110.6F227 Y248 L268 I269 A270 T299 H319 Q320F227-F301 HydrophobicContact CB-CE2 4.13Å; F227-F301 HydrophobicContact CD2-CE2 4.22Å; F227-F301 HydrophobicContact CG-CE2 4.39Å; Y248-F301 HydrophobicContact CD2-CB 4.01Å; L268-F301 HydrophobicContact CB-CB 3.82Å; L268-F301 HydrophobicContact CB-CD2 3.83Å; L268-F301 HydrophobicContact CB-CG 3.92Å; L268-F301 HydrophobicContact CD1-CB 4.08Å; L268-F301 HydrophobicContact CD1-CD1 3.81Å; L268-F301 HydrophobicContact CD1-CD2 4.1Å; L268-F301 HydrophobicContact CD1-CE1 4.24Å; L268-F301 HydrophobicContact CD1-CG 3.72Å; L268-F301 HydrophobicContact CD2-CD2 4.21Å; L268-F301 HydrophobicContact CD2-CE2 4.24Å; L268-F301 HydrophobicContact CG-CD2 4.26Å; L268-F301 HydrophobicContact CG-CG 4.29Å; I269-F301 PolarHBondContact O-N 3.35Å; A270-F301 WeakPolarHBondContact CA-O 3.37Å; T299-F301 HydrophobicContact CG2-CE1 4.16Å; T299-F301 HydrophobicContact CG2-CE2 3.88Å; T299-F301 HydrophobicContact CG2-CZ 3.63Å; F301-H319 CarbonylContact C-O 3.6Å; F301-H319 WeakPolarHBondContact CA-O 3.44Å; F301-Q320 HydrophobicContact CD1-CB 4.4Å; F301-Q320 HydrophobicContact CD1-CG 4.21Å; F301-Q320 HydrophobicContact CE1-CB 4.42Å; F301-Q320 HydrophobicContact CE1-CG 3.82Å; F301-Q320 HydrophobicContact CZ-CG 4.43Å
302R97.2Very high88.2Confident56 Ų5650.4 Ų50.421%0.21128%0.275CS..  trans-132.6128.4-179.9-63.9-171.8-177.3-171.5-5111.5E246 A270 E304 H319 F321E246-R302 HydrophobicContact CG-CB 4.29Å; E246-R302 HydrophobicContact CG-CG 3.99Å; E246-R302 CarbonylContact O-C 3.53Å; E246-R302 WeakPolarHBondContact O-CA 3.23Å; E246-R302 WeakPolarHBondContact OE1-CD 3.11Å; E246-R302 IonicContact OE1-CZ 3.25Å; E246-R302 IonicContact OE1-NE 2.89Å; E246-R302 PolarHBondContact OE1-NE 2.88Å; E246-R302 IonicContact OE1-NH2 3.98Å; A270-R302 HydrophobicContact CB-CG 4.06Å; A270-R302 PolarHBondContact O-NE 2.84Å; A270-R302 PolarHBondContact O-NH2 2.87Å; R302-E304 HydrophobicContact CB-CG 4.09Å; R302-E304 WeakPolarHBondContact CB-OE1 3.35Å; R302-E304 WeakPolarHBondContact CD-OE1 3.42Å; R302-E304 PolarHBondContact O-N 3.24Å; R302-H319 PolarHBondContact N-O 3.49Å; R302-H319 WeakPolarHBondContact O-CA 3.29Å; R302-H319 PolarHBondContact O-ND1 2.9Å; R302-F321 HydrophobicContact CG-CE1 4.13Å; R302-F321 HydrophobicContact CG-CZ 4.49Å
303Q93.3Very high87.5Confident59 Ų5954.6 Ų54.628%0.27629%0.288SS..  trans-70.1-20.7177.1-66.2-176.4-66.100112.8E246 L247 Y248 V305 H319E246-Q303 PolarHBondContact O-N 2.9Å; L247-Q303 PolarHBondContact O-OE1 2.87Å; Y248-Q303 HydrophobicContact CD1-CG 3.96Å; Y248-Q303 HydrophobicContact CD2-CG 3.68Å; Y248-Q303 HydrophobicContact CE1-CG 3.88Å; Y248-Q303 HydrophobicContact CE2-CB 4.27Å; Y248-Q303 HydrophobicContact CE2-CG 3.62Å; Y248-Q303 HydrophobicContact CG-CG 3.86Å; Q303-V305 HydrophobicContact CB-CG2 3.83Å; Q303-V305 PolarHBondContact O-N 3Å; Q303-V305 VanDerWaalsContact O-N 3.15Å; Q303-H319 PolarHBondContact O-CE1 3.45Å; Q303-H319 PolarHBondContact O-ND1 2.67Å
304E88.6Confident87.3Confident28 Ų2853.3 Ų53.313%0.13129%0.287CS..  trans54.830.4177.1-64.3-70.314100113.3R302 S307 R317R302-E304 HydrophobicContact CB-CG 4.09Å; R302-E304 WeakPolarHBondContact CB-OE1 3.35Å; R302-E304 WeakPolarHBondContact CD-OE1 3.42Å; R302-E304 PolarHBondContact O-N 3.24Å; E304-S307 PolarHBondContact O-N 2.95Å; E304-S307 PolarHBondContact O-OG 3.49Å; E304-R317 HydrophobicContact CG-CG 4.3Å; E304-R317 WeakPolarHBondContact OE2-CD 3.37Å; E304-R317 VanDerWaalsContact OE2-CG 3.31Å; E304-R317 WeakPolarHBondContact OE2-CG 3.34Å; E304-R317 IonicContact OE2-CZ 3.49Å; E304-R317 IonicContact OE2-NE 3Å; E304-R317 IonicContact OE2-NH1 2.83Å; E304-R317 PolarHBondContact OE2-NH1 2.96Å
305V77.4Confident87.2Confident84 Ų8452 Ų5251%0.50928%0.282SS..THydrogen-bonded Turntrans-63.4139.9176-175.70000108.8E245 Q303E245-V305 HydrophobicContact CB-CB 4.24Å; E245-V305 WeakPolarHBondContact O-CB 3.47Å; E245-V305 WeakPolarHBondContact O-CG2 3.47Å; E245-V305 PolarHBondContact O-N 3.48Å; Q303-V305 HydrophobicContact CB-CG2 3.83Å; Q303-V305 PolarHBondContact O-N 3Å; Q303-V305 VanDerWaalsContact O-N 3.15Å
306G71.1Confident87.1Confident81 Ų8152.3 Ų52.384%0.83528%0.283SS*.THydrogen-bonded Turntrans90.6-11-17600000115.2
307S71.2Confident87Confident16 Ų1654.5 Ų54.511%0.11229%0.292CS..  trans-97.224.3177.473.70000114.3R192 E304 G309 R310R192-S307 PolarHBondContact NH2-O 3.33Å; R192-S307 VanDerWaalsContact NH2-O 3.15Å; R192-S307 PolarHBondContact NH2-OG 2.86Å; E304-S307 PolarHBondContact O-N 2.95Å; E304-S307 PolarHBondContact O-OG 3.49Å; S307-G309 PolarHBondContact O-N 3.17Å; S307-G309 VanDerWaalsContact O-N 3.16Å; S307-R310 WeakPolarHBondContact O-CB 3.43Å; S307-R310 PolarHBondContact O-N 3.37Å
308H65Low86.9Confident191 Ų19152 Ų5288%0.88428%0.281SS*.THydrogen-bonded Turntrans-57.6122.2-170.7-1697.9000111.7R310H308-R310 VanDerWaalsContact C-N 3.31Å; H308-R310 PolarHBondContact O-N 3.13Å
309G66.8Low86.8Confident55 Ų5554.1 Ų54.157%0.56729%0.29SS*.THydrogen-bonded Turntrans85.9-5.617800000114.7S307S307-G309 PolarHBondContact O-N 3.17Å; S307-G309 VanDerWaalsContact O-N 3.16Å
310R72.8Confident86.8Confident157 Ų15757.6 Ų57.659%0.59231%0.306SS*.SBendtrans-91.2128.8177.3-152.4-179.1-173.5174.83.5111.2R192 S307 H308 T312R192-R310 PolarHBondContact NH1-O 3.08Å; R192-R310 PolarHBondContact NH2-O 3.22Å; S307-R310 WeakPolarHBondContact O-CB 3.43Å; S307-R310 PolarHBondContact O-N 3.37Å; H308-R310 VanDerWaalsContact C-N 3.31Å; H308-R310 PolarHBondContact O-N 3.13Å; R310-T312 VanDerWaalsContact C-N 3.3Å; R310-T312 PolarHBondContact O-N 2.91Å
311D79.9Confident86.8Confident45 Ų4558.5 Ų58.524%0.24131%0.31CS..SBendtrans48.247.6176.2-49.2-53.4000113.1R192 R313 F316 R317R192-D311 PolarHBondContact NH1-O 3.33Å; R192-D311 VanDerWaalsContact NH1-O 3.1Å; D311-R313 VanDerWaalsContact C-N 3.27Å; D311-R313 PolarHBondContact O-N 2.83Å; D311-F316 HydrophobicContact CB-CD1 4.42Å; D311-R317 HydrophobicContact CB-CB 3.89Å; D311-R317 IonicContact OD2-NE 2.66Å; D311-R317 PolarHBondContact OD2-NE 3.12Å; D311-R317 IonicContact OD2-NH2 3.72Å
312T80.2Confident86.8Confident78 Ų7858.2 Ų58.248%0.47931%0.309SS..  trans-78.7-8.9-175.153.40000113.9R310R310-T312 VanDerWaalsContact C-N 3.3Å; R310-T312 PolarHBondContact O-N 2.91Å
313R86.1Confident86.9Confident123 Ų12355.9 Ų55.946%0.46430%0.3SS..SBendtrans-110151.2179.3-63.9178.165.4166.90.8111V171 D311 E479V171-R313 HydrophobicContact CG1-CB 3.62Å; V171-R313 HydrophobicContact CG2-CB 4.05Å; D311-R313 VanDerWaalsContact C-N 3.27Å; D311-R313 PolarHBondContact O-N 2.83Å; R313-E479 IonicContact NH1-OE1 3.74Å; R313-E479 IonicContact NH2-OE1 3.56Å
314G93.4Very high87.2Confident11 Ų1153 Ų5311%0.11329%0.287CS..SBendtrans74.5-154.3-179.200000112.6
315I97.4Very high87.7Confident0 Ų051.9 Ų51.90%028%0.281CS..SBendtrans-11811-172.863.2179.8000113.8V174 F180 Y194 L196 L200 T434 M437 C438V174-I315 HydrophobicContact CG1-CD1 4.11Å; V174-I315 HydrophobicContact CG1-CG1 4.29Å; F180-I315 HydrophobicContact CD2-CG2 3.46Å; F180-I315 VanDerWaalsContact CD2-CG2 3.46Å; F180-I315 HydrophobicContact CE2-CG2 3.65Å; F180-I315 HydrophobicContact CG-CG2 4.47Å; Y194-I315 HydrophobicContact CD2-CG2 3.98Å; Y194-I315 HydrophobicContact CE2-CG2 4.41Å; Y194-I315 HydrophobicContact CG-CG2 4.2Å; L196-I315 HydrophobicContact CD1-CD1 4.13Å; L200-I315 HydrophobicContact CD1-CD1 4.49Å; I315-T434 VanDerWaalsContact O-CB 3.26Å; I315-T434 WeakPolarHBondContact O-CB 3.29Å; I315-T434 PolarHBondContact O-OG1 3.33Å; I315-M437 HydrophobicContact CD1-CE 3.98Å; I315-C438 VanDerWaalsContact CG1-SG 3.52Å
316F97.1Very high88.7Confident8 Ų847.9 Ų47.94%0.03526%0.257CS..SBendtrans-72.3-39.2-175.5-174.9-91.6000113.3D311 F383 R390 L392 R435 C438D311-F316 HydrophobicContact CB-CD1 4.42Å; F316-F383 HydrophobicContact CD2-CE1 4.25Å; F316-F383 HydrophobicContact CD2-CZ 4.23Å; F316-F383 HydrophobicContact CE2-CE1 4.27Å; F316-F383 AromaticContact CE2-CZ 3.86Å; F316-F383 HydrophobicContact CE2-CZ 3.86Å; F316-R390 HydrophobicContact CE2-CB 3.85Å; F316-R390 HydrophobicContact CE2-CG 4.28Å; F316-R390 HydrophobicContact CZ-CB 3.68Å; F316-R390 HydrophobicContact CZ-CG 4.12Å; F316-L392 HydrophobicContact CE2-CD2 4.42Å; F316-R435 HydrophobicContact CD2-CB 4.17Å; F316-R435 HydrophobicContact CD2-CG 3.85Å; F316-R435 HydrophobicContact CE2-CB 4.05Å; F316-R435 HydrophobicContact CE2-CG 3.83Å; F316-R435 HydrophobicContact CG-CG 4.33Å; F316-R435 HydrophobicContact CZ-CG 4.29Å; F316-R435 WeakPolarHBondContact O-CG 3.44Å; F316-R435 PolarHBondContact O-NE 2.83Å; F316-R435 VanDerWaalsContact O-NE 3.16Å; F316-C438 HydrophobicContact CD2-CB 4.4Å
317R95.8Very high90Very high46 Ų4644 Ų4417%0.17422%0.217CC..SBendtrans-129.199.8177-174.3-177.8-65.2-86.4-0.1110.1R192 E304 D311R192-R317 VanDerWaalsContact NH1-CG 3.34Å; R192-R317 PolarHBondContact NH1-O 3.06Å; E304-R317 HydrophobicContact CG-CG 4.3Å; E304-R317 WeakPolarHBondContact OE2-CD 3.37Å; E304-R317 VanDerWaalsContact OE2-CG 3.31Å; E304-R317 WeakPolarHBondContact OE2-CG 3.34Å; E304-R317 IonicContact OE2-CZ 3.49Å; E304-R317 IonicContact OE2-NE 3Å; E304-R317 IonicContact OE2-NH1 2.83Å; E304-R317 PolarHBondContact OE2-NH1 2.96Å; D311-R317 HydrophobicContact CB-CB 3.89Å; D311-R317 IonicContact OD2-NE 2.66Å; D311-R317 PolarHBondContact OD2-NE 3.12Å; D311-R317 IonicContact OD2-NH2 3.72Å
318V96.6Very high91.3Very high4 Ų443.2 Ų43.22%0.02421%0.212CC..  trans-134.1160.8-172.6-70.30000110.5Y194 Q320 F321Y194-V318 HydrophobicContact CD1-CB 4.01Å; Y194-V318 HydrophobicContact CD1-CG1 3.73Å; Y194-V318 HydrophobicContact CD1-CG2 4.48Å; Y194-V318 HydrophobicContact CE1-CB 3.75Å; Y194-V318 HydrophobicContact CE1-CG1 3.89Å; Y194-V318 HydrophobicContact CE1-CG2 3.79Å; V318-Q320 VanDerWaalsContact C-N 3.34Å; V318-Q320 WeakPolarHBondContact CG2-O 3.22Å; V318-F321 HydrophobicContact CG2-CB 4.2Å; V318-F321 HydrophobicContact CG2-CD1 4.49Å
319H97.5Very high93Very high44 Ų4434.1 Ų34.120%0.20417%0.17CC..SBendtrans-75.8-22.2-178.2-65.9-53.6000114.2S191 Y248 F301 R302 Q303S191-H319 PolarHBondContact O-CD2 3.1Å; S191-H319 PolarHBondContact O-NE2 2.81Å; Y248-H319 HydrophobicContact CE2-CB 4.44Å; Y248-H319 VanDerWaalsContact OH-CG 3.27Å; Y248-H319 PolarHBondContact OH-ND1 2.66Å; F301-H319 CarbonylContact C-O 3.6Å; F301-H319 WeakPolarHBondContact CA-O 3.44Å; R302-H319 PolarHBondContact N-O 3.49Å; R302-H319 WeakPolarHBondContact O-CA 3.29Å; R302-H319 PolarHBondContact O-ND1 2.9Å; Q303-H319 PolarHBondContact O-CE1 3.45Å; Q303-H319 PolarHBondContact O-ND1 2.67Å
320Q98.7Very high94.5Very high91 Ų9131.6 Ų31.643%0.42514%0.144SC..EExtended strand (participates in β ladder)trans-132.1132.7-177.7-175.7-174.4-53.300108.7Y194 T299 C300 F301 V318Y194-Q320 WeakPolarHBondContact CE1-O 3.46Å; Y194-Q320 PolarHBondContact OH-O 2.89Å; T299-Q320 HydrophobicContact CG2-CG 3.37Å; C300-Q320 WeakPolarHBondContact O-CA 3.36Å; F301-Q320 HydrophobicContact CD1-CB 4.4Å; F301-Q320 HydrophobicContact CD1-CG 4.21Å; F301-Q320 HydrophobicContact CE1-CB 4.42Å; F301-Q320 HydrophobicContact CE1-CG 3.82Å; F301-Q320 HydrophobicContact CZ-CG 4.43Å; V318-Q320 VanDerWaalsContact C-N 3.34Å; V318-Q320 WeakPolarHBondContact CG2-O 3.22Å
321F98.8Very high95.7Very high19 Ų1925.2 Ų25.28%0.08312%0.123CC..EExtended strand (participates in β ladder)trans-161.6151.6175.158.5-85.1000111.7C300 R302 V318 K323 T434C300-F321 HydrophobicContact CB-CD1 4.38Å; C300-F321 HydrophobicContact CB-CD2 4.05Å; C300-F321 HydrophobicContact CB-CE1 3.94Å; C300-F321 HydrophobicContact CB-CE2 3.58Å; C300-F321 HydrophobicContact CB-CG 4.43Å; C300-F321 HydrophobicContact CB-CZ 3.52Å; C300-F321 PolarHBondContact N-O 3.22Å; C300-F321 PolarHBondContact O-N 3.35Å; C300-F321 VanDerWaalsContact O-N 3.09Å; R302-F321 HydrophobicContact CG-CE1 4.13Å; R302-F321 HydrophobicContact CG-CZ 4.49Å; V318-F321 HydrophobicContact CG2-CB 4.2Å; V318-F321 HydrophobicContact CG2-CD1 4.49Å; F321-K323 HydrophobicContact CD2-CB 4.42Å; F321-K323 HydrophobicContact CE2-CB 4.27Å; F321-K323 HydrophobicContact CE2-CD 4.27Å; F321-T434 HydrophobicContact CB-CG2 3.97Å
322E98.9Very high96.5Very high27 Ų2724.2 Ų24.213%0.12612%0.119CC..EExtended strand (participates in β ladder)trans-82.9141.8175.9-73.457.4-139.700110.6I208 F297 T299 T433I208-E322 HydrophobicContact CD1-CB 4.47Å; I208-E322 HydrophobicContact CD1-CG 4.5Å; F297-E322 HydrophobicContact CE2-CG 4.48Å; T299-E322 PolarHBondContact OG1-OE1 3.47Å; E322-T433 HydrophobicContact CB-CG2 3.77Å; E322-T433 WeakPolarHBondContact CB-OG1 3.27Å; E322-T433 PolarHBondContact O-N 2.72Å; E322-T433 PolarHBondContact O-OG1 3.04Å
323K98.8Very high97.4Very high6 Ų622.9 Ų22.93%0.02611%0.107CC..EExtended strand (participates in β ladder)trans-141.1139178.5-167.3169.663.3140.40112T271 S298 F321 E325 T429 C431 A432T271-K323 PolarHBondContact OG1-NZ 3.33Å; S298-K323 PolarHBondContact N-O 2.69Å; S298-K323 PolarHBondContact O-N 2.81Å; F321-K323 HydrophobicContact CD2-CB 4.42Å; F321-K323 HydrophobicContact CE2-CB 4.27Å; F321-K323 HydrophobicContact CE2-CD 4.27Å; K323-E325 VanDerWaalsContact CD-OE2 3.3Å; K323-E325 WeakPolarHBondContact CD-OE2 3.38Å; K323-E325 WeakPolarHBondContact CE-OE2 3.32Å; K323-E325 IonicContact NZ-OE1 3.71Å; K323-E325 PolarHBondContact NZ-OE1 3.16Å; K323-E325 IonicContact NZ-OE2 3.95Å; K323-E325 PolarHBondContact NZ-OE2 2.84Å; K323-T429 HydrophobicContact CD-CG2 3.81Å; K323-T429 HydrophobicContact CG-CG2 4.03Å; K323-C431 WeakPolarHBondContact CA-O 3.23Å; K323-A432 HydrophobicContact CG-CB 4.47Å
324I98.9Very high97.9Very high0 Ų024 Ų240%012%0.122CC..EExtended strand (participates in β ladder)trans-104.5124.9167.8-58.177.3000106.8I208 A211 L212 L215 G296 M430 C431 T433I208-I324 HydrophobicContact CB-CD1 4.34Å; I208-I324 HydrophobicContact CG1-CD1 3.93Å; A211-I324 HydrophobicContact CB-CB 4.18Å; A211-I324 HydrophobicContact CB-CD1 4.41Å; A211-I324 HydrophobicContact CB-CG1 4.07Å; A211-I324 HydrophobicContact CB-CG2 4.15Å; L212-I324 HydrophobicContact CD2-CG1 4.46Å; L212-I324 HydrophobicContact CD2-CG2 4Å; L212-I324 HydrophobicContact CG-CG1 4.47Å; L215-I324 HydrophobicContact CD1-CG2 3.69Å; G296-I324 CarbonylContact O-C 3.57Å; G296-I324 VanDerWaalsContact O-CA 3.28Å; G296-I324 WeakPolarHBondContact O-CA 3.44Å; I324-M430 HydrophobicContact CB-CB 4.24Å; I324-M430 HydrophobicContact CG2-CB 4Å; I324-M430 HydrophobicContact CG2-CG 4.32Å; I324-M430 WeakPolarHBondContact O-CA 3.48Å; I324-M430 WeakPolarHBondContact O-CB 3.45Å; I324-M430 PolarHBondContact O-N 3.36Å; I324-C431 HydrophobicContact CB-CB 4.48Å; I324-C431 HydrophobicContact CD1-CB 4.18Å; I324-C431 PolarHBondContact N-O 2.81Å; I324-C431 PolarHBondContact O-N 3.1Å; I324-C431 VanDerWaalsContact O-N 3.16Å; I324-T433 HydrophobicContact CD1-CG2 4.16Å
325E98.8Very high98.1Very high3 Ų325.1 Ų25.11%0.01413%0.134CC..EExtended strand (participates in β ladder)trans-120.4138.2-173.3-160.580.1164.900110.5T271 S272 A295 G296 K323 T429T271-E325 PolarHBondContact OG1-OE1 2.94Å; S272-E325 WeakPolarHBondContact OG-CB 3.25Å; A295-E325 CarbonylContact C-O 3.54Å; A295-E325 VanDerWaalsContact CA-O 3.26Å; A295-E325 WeakPolarHBondContact CA-O 3.34Å; G296-E325 PolarHBondContact N-O 3.47Å; G296-E325 PolarHBondContact O-N 3.13Å; K323-E325 VanDerWaalsContact CD-OE2 3.3Å; K323-E325 WeakPolarHBondContact CD-OE2 3.38Å; K323-E325 WeakPolarHBondContact CE-OE2 3.32Å; K323-E325 IonicContact NZ-OE1 3.71Å; K323-E325 PolarHBondContact NZ-OE1 3.16Å; K323-E325 IonicContact NZ-OE2 3.95Å; K323-E325 PolarHBondContact NZ-OE2 2.84Å; E325-T429 WeakPolarHBondContact OE2-CA 3.12Å; E325-T429 PolarHBondContact OE2-OG1 2.86Å
326Q98.9Very high98.1Very high0 Ų029.5 Ų29.50%015%0.153CC..EExtended strand (participates in β ladder)trans-88.6126.9163.3-55.3-179.370.400108.2L215 Y220 M344 N427 A428 M430L215-Q326 HydrophobicContact CD1-CG 4.18Å; L215-Q326 HydrophobicContact CD2-CG 3.72Å; Y220-Q326 HydrophobicContact CE1-CB 3.86Å; Y220-Q326 HydrophobicContact CE1-CG 4.21Å; Y220-Q326 PolarHBondContact OH-OE1 2.81Å; Y220-Q326 VanDerWaalsContact OH-OE1 3.12Å; Q326-M344 HydrophobicContact CB-CE 3.86Å; Q326-M344 PolarHBondContact NE2-O 2.94Å; Q326-N427 CarbonylContact O-C 3.44Å; Q326-N427 VanDerWaalsContact O-CA 3.31Å; Q326-N427 WeakPolarHBondContact O-CA 3.28Å; Q326-A428 HydrophobicContact CB-CB 4.19Å; Q326-A428 WeakPolarHBondContact CB-O 3.49Å; Q326-A428 PolarHBondContact N-O 3.12Å; Q326-A428 PolarHBondContact O-N 2.94Å; Q326-M430 HydrophobicContact CG-CB 4.22Å
327F98.9Very high98.2Very high0 Ų029.2 Ų29.20%015%0.152CC..EExtended strand (participates in β ladder)trans-131.8131.2171.8-163.6-79.1000109.9E273 I276 A277 Y294 Y329 M425 L426 N427E273-F327 HydrophobicContact CB-CD2 4.4Å; E273-F327 HydrophobicContact CB-CE2 4.48Å; E273-F327 HydrophobicContact CG-CD2 3.9Å; E273-F327 HydrophobicContact CG-CE2 3.58Å; I276-F327 HydrophobicContact CB-CB 4.44Å; I276-F327 HydrophobicContact CB-CD2 4.34Å; I276-F327 HydrophobicContact CB-CG 4.17Å; I276-F327 HydrophobicContact CD1-CB 4.32Å; I276-F327 HydrophobicContact CG2-CB 3.73Å; I276-F327 HydrophobicContact CG2-CD1 3.52Å; I276-F327 HydrophobicContact CG2-CD2 4.12Å; I276-F327 HydrophobicContact CG2-CE1 4.2Å; I276-F327 HydrophobicContact CG2-CG 3.49Å; I276-F327 VanDerWaalsContact CG2-CG 3.49Å; A277-F327 HydrophobicContact CB-CE2 4.06Å; A277-F327 HydrophobicContact CB-CZ 3.86Å; Y294-F327 PolarHBondContact N-O 2.86Å; Y294-F327 PolarHBondContact O-N 2.68Å; F327-Y329 HydrophobicContact CD1-CD2 4.17Å; F327-Y329 AromaticContact CD1-CE2 3.82Å; F327-Y329 HydrophobicContact CD1-CE2 3.82Å; F327-Y329 HydrophobicContact CE1-CD1 4.32Å; F327-Y329 HydrophobicContact CE1-CD2 4.09Å; F327-Y329 AromaticContact CE1-CE1 3.92Å; F327-Y329 HydrophobicContact CE1-CE1 3.92Å; F327-Y329 AromaticContact CE1-CE2 3.66Å; F327-Y329 HydrophobicContact CE1-CE2 3.66Å; F327-Y329 HydrophobicContact CE1-CG 4.41Å; F327-Y329 AromaticContact CE1-CZ 3.59Å; F327-M425 HydrophobicContact CE1-CB 4.43Å; F327-M425 HydrophobicContact CE1-CE 3.98Å; F327-M425 HydrophobicContact CE1-CG 4.45Å; F327-M425 HydrophobicContact CZ-CB 4.11Å; F327-M425 HydrophobicContact CZ-CE 3.47Å; F327-M425 VanDerWaalsContact CZ-CE 3.47Å; F327-M425 HydrophobicContact CZ-CG 4.4Å; F327-L426 WeakPolarHBondContact CA-O 3.47Å; F327-N427 HydrophobicContact CD2-CB 3.95Å; F327-N427 HydrophobicContact CE2-CB 4.21Å
328V98.9Very high98.4Very high0 Ų029.9 Ų29.90%016%0.155CC..EExtended strand (participates in β ladder)trans-132129.5-176.7-175.90000111.4Y220 P291 I292 R293 A330 M340 M344 M425 L426Y220-V328 HydrophobicContact CE1-CG2 4.06Å; P291-V328 HydrophobicContact CB-CG1 3.83Å; I292-V328 WeakPolarHBondContact O-CA 3.3Å; R293-V328 HydrophobicContact CB-CG2 4.49Å; R293-V328 HydrophobicContact CG-CG1 4.35Å; R293-V328 HydrophobicContact CG-CG2 4.16Å; V328-A330 HydrophobicContact CG1-CB 4.49Å; V328-M340 HydrophobicContact CB-CG 4.01Å; V328-M340 HydrophobicContact CB-SD 4.28Å; V328-M340 HydrophobicContact CG1-CE 3.99Å; V328-M340 HydrophobicContact CG1-CG 3.71Å; V328-M340 HydrophobicContact CG1-SD 3.89Å; V328-M340 HydrophobicContact CG2-CG 4.2Å; V328-M340 HydrophobicContact CG2-SD 3.9Å; V328-M344 HydrophobicContact CB-SD 3.97Å; V328-M344 HydrophobicContact CG2-CE 4.31Å; V328-M344 HydrophobicContact CG2-CG 4.24Å; V328-M344 HydrophobicContact CG2-SD 3.59Å; V328-M344 VanDerWaalsContact CG2-SD 3.59Å; V328-M425 WeakPolarHBondContact O-CA 3.03Å; V328-L426 PolarHBondContact N-O 2.82Å; V328-L426 PolarHBondContact O-N 3.18Å
329Y98.9Very high98.5Very high0 Ų034.7 Ų34.70%018%0.177CC..EExtended strand (participates in β ladder)trans-93.3117.6162.2-60.6-89.4000108.3I276 A277 L280 L285 L290 P291 I292 Y294 F327 I408 V423 H424 M425I276-Y329 PolarHBondContact O-OH 2.92Å; A277-Y329 PolarHBondContact O-OH 3.46Å; L280-Y329 HydrophobicContact CD1-CD2 3.91Å; L280-Y329 HydrophobicContact CD1-CE1 4.36Å; L280-Y329 HydrophobicContact CD1-CE2 3.66Å; L280-Y329 HydrophobicContact CD1-CG 4.35Å; L280-Y329 HydrophobicContact CG-CE2 4.25Å; L285-Y329 HydrophobicContact CD1-CD1 4.2Å; L285-Y329 HydrophobicContact CD1-CG 4.26Å; L290-Y329 WeakPolarHBondContact CD2-O 3.42Å; P291-Y329 CarbonylContact C-O 3.55Å; P291-Y329 WeakPolarHBondContact CA-O 3.44Å; I292-Y329 HydrophobicContact CB-CD2 4.28Å; I292-Y329 HydrophobicContact CG2-CD2 4.42Å; I292-Y329 PolarHBondContact N-O 3.41Å; I292-Y329 PolarHBondContact O-N 3.44Å; Y294-Y329 HydrophobicContact CD2-CD2 4.45Å; Y294-Y329 HydrophobicContact CD2-CE2 4.08Å; Y294-Y329 HydrophobicContact CE2-CD2 4.36Å; Y294-Y329 AromaticContact CE2-CE2 3.98Å; Y294-Y329 HydrophobicContact CE2-CE2 3.98Å; F327-Y329 HydrophobicContact CD1-CD2 4.17Å; F327-Y329 AromaticContact CD1-CE2 3.82Å; F327-Y329 HydrophobicContact CD1-CE2 3.82Å; F327-Y329 HydrophobicContact CE1-CD1 4.32Å; F327-Y329 HydrophobicContact CE1-CD2 4.09Å; F327-Y329 AromaticContact CE1-CE1 3.92Å; F327-Y329 HydrophobicContact CE1-CE1 3.92Å; F327-Y329 AromaticContact CE1-CE2 3.66Å; F327-Y329 HydrophobicContact CE1-CE2 3.66Å; F327-Y329 HydrophobicContact CE1-CG 4.41Å; F327-Y329 AromaticContact CE1-CZ 3.59Å; Y329-I408 HydrophobicContact CE1-CD1 3.75Å; Y329-I408 HydrophobicContact CE1-CG2 4.43Å; Y329-V423 HydrophobicContact CD1-CG2 3.95Å; Y329-H424 CarbonylContact C-O 3.53Å; Y329-H424 WeakPolarHBondContact CA-O 3.35Å; Y329-M425 HydrophobicContact CD1-CG 3.71Å; Y329-M425 HydrophobicContact CD1-SD 4.3Å; Y329-M425 HydrophobicContact CE1-CE 3.73Å; Y329-M425 HydrophobicContact CE1-CG 3.87Å; Y329-M425 HydrophobicContact CE1-SD 3.93Å
330A98.8Very high98.5Very high2 Ų233 Ų332%0.01717%0.169CC..EExtended strand (participates in β ladder)trans-116.5158.1-176.400000111.7V328 H424 L426V328-A330 HydrophobicContact CG1-CB 4.49Å; A330-H424 HydrophobicContact CB-CB 4.42Å; A330-H424 PolarHBondContact N-O 3.02Å; A330-H424 PolarHBondContact O-N 3.26Å; A330-L426 HydrophobicContact CB-CD1 3.85Å
331S98.4Very high98.6Very high22 Ų2228.8 Ų28.815%0.15415%0.149CC..  trans-59.7140.9168.6173.90000110.4H333S331-H333 PolarHBondContact O-N 2.84Å; S331-H333 PolarHBondContact OG-N 2.87Å
332P97.8Very high98.6Very high25 Ų2532.3 Ų32.316%0.16217%0.169CC..SBendtrans-75.3-9.2173.732.2-34.9000113.4Y410 F422P332-Y410 HydrophobicContact CG-CD1 4.47Å; P332-Y410 HydrophobicContact CG-CD2 4.31Å; P332-Y410 HydrophobicContact CG-CG 4.1Å; P332-F422 WeakPolarHBondContact CB-O 3.49Å; P332-F422 WeakPolarHBondContact CG-O 3.37Å
333H97.4Very high98.6Very high50 Ų5034.6 Ų34.623%0.23118%0.18CC..SBendtrans-97162.4-172.1-57.9144.5000113.2S331 G335 K336 Y410 E421S331-H333 PolarHBondContact O-N 2.84Å; S331-H333 PolarHBondContact OG-N 2.87Å; H333-G335 PolarHBondContact O-N 3.37Å; H333-K336 WeakPolarHBondContact O-CB 3.42Å; H333-K336 VanDerWaalsContact O-CG 3.28Å; H333-K336 WeakPolarHBondContact O-CG 3.29Å; H333-K336 PolarHBondContact O-N 3.31Å; H333-Y410 AromaticContact CE1-CD1 3.91Å; H333-Y410 AromaticContact CE1-CE1 3.48Å; H333-Y410 VanDerWaalsContact CE1-CE1 3.48Å; H333-Y410 WeakPolarHBondContact CE1-CE1 3.3Å; H333-Y410 AromaticContact ND1-CE1 3.74Å; H333-Y410 AromaticContact ND1-CZ 3.92Å; H333-E421 IonicContact CD2-OE1 3.78Å; H333-E421 IonicContact CE1-OE1 3.84Å; H333-E421 IonicContact CE1-OE2 3.17Å; H333-E421 PolarHBondContact CE1-OE2 3.28Å; H333-E421 IonicContact NE2-OE1 2.85Å; H333-E421 PolarHBondContact NE2-OE1 2.65Å; H333-E421 IonicContact NE2-OE2 2.99Å; H333-E421 PolarHBondContact NE2-OE2 3.43Å
334D96.9Very high98.6Very high145 Ų14534.3 Ų34.378%0.77518%0.179SC*.THydrogen-bonded Turntrans54.327.6167.4-51.6-40.7000115.6K336D334-K336 HydrophobicContact CB-CG 4.48Å; D334-K336 PolarHBondContact O-N 2.63Å
335G97.8Very high98.6Very high35 Ų3534.3 Ų34.336%0.36118%0.179SC..THydrogen-bonded Turntrans68.912.1-178.900000114.5H333 S337 W338 E339H333-G335 PolarHBondContact O-N 3.37Å; G335-S337 VanDerWaalsContact C-N 3.27Å; G335-S337 PolarHBondContact O-N 2.82Å; G335-W338 WeakPolarHBondContact O-CA 3.15Å; G335-W338 WeakPolarHBondContact O-CB 3.37Å; G335-W338 PolarHBondContact O-N 2.99Å; G335-E339 PolarHBondContact O-N 3.4Å
336K98.6Very high98.6Very high93 Ų9335 Ų3540%0.40419%0.186SC..Hα-helixtrans-57.4-35.1-174.3-71.9-73.5158.3-149.60114H333 D334 W338 E339 M340H333-K336 WeakPolarHBondContact O-CB 3.42Å; H333-K336 VanDerWaalsContact O-CG 3.28Å; H333-K336 WeakPolarHBondContact O-CG 3.29Å; H333-K336 PolarHBondContact O-N 3.31Å; D334-K336 HydrophobicContact CB-CG 4.48Å; D334-K336 PolarHBondContact O-N 2.63Å; K336-W338 VanDerWaalsContact C-N 3.34Å; K336-E339 WeakPolarHBondContact CD-OE2 3.36Å; K336-E339 IonicContact NZ-OE1 3.4Å; K336-E339 IonicContact NZ-OE2 3.58Å; K336-E339 PolarHBondContact NZ-OE2 3.14Å; K336-M340 WeakPolarHBondContact O-CB 3.23Å; K336-M340 PolarHBondContact O-N 2.53Å
337S98.8Very high98.6Very high1 Ų135 Ų351%0.00719%0.186CC..Hα-helixtrans-68.6-32.5174.766.90000112.7G335 M340 F341 N397 H424 L426G335-S337 VanDerWaalsContact C-N 3.27Å; G335-S337 PolarHBondContact O-N 2.82Å; S337-M340 PolarHBondContact O-N 3.15Å; S337-F341 WeakPolarHBondContact O-CB 3.13Å; S337-F341 PolarHBondContact O-N 3.37Å; S337-N397 PolarHBondContact O-ND2 2.72Å; S337-N397 PolarHBondContact OG-ND2 3.37Å; S337-H424 VanDerWaalsContact CB-ND1 3.32Å; S337-H424 WeakPolarHBondContact CB-ND1 3.28Å; S337-H424 PolarHBondContact OG-ND1 3.24Å; S337-L426 WeakPolarHBondContact O-CD2 3.18Å
338W98.8Very high98.6Very high61 Ų6135 Ų3523%0.23119%0.186CC..Hα-helixtrans-76.7-37.3178.4-64.6114.9000112.1H140 G335 K336 M340 F341 D342 K375 N397 T399H140-W338 HydrophobicContact CB-CH2 3.66Å; H140-W338 HydrophobicContact CB-CZ2 4.02Å; H140-W338 HydrophobicContact CB-CZ3 4.26Å; H140-W338 AromaticContact CD2-CD2 3.93Å; H140-W338 AromaticContact CD2-CE2 3.64Å; H140-W338 AromaticContact CD2-CH2 3.78Å; H140-W338 AromaticContact CD2-CZ2 3.57Å; H140-W338 AromaticContact CG-CH2 3.92Å; G335-W338 WeakPolarHBondContact O-CA 3.15Å; G335-W338 WeakPolarHBondContact O-CB 3.37Å; G335-W338 PolarHBondContact O-N 2.99Å; K336-W338 VanDerWaalsContact C-N 3.34Å; W338-M340 VanDerWaalsContact C-N 3.3Å; W338-M340 PolarHBondContact O-N 3.39Å; W338-F341 HydrophobicContact CE3-CB 4.29Å; W338-F341 HydrophobicContact CE3-CD1 4.37Å; W338-F341 HydrophobicContact CE3-CG 4.34Å; W338-F341 HydrophobicContact CZ3-CG 4.49Å; W338-F341 WeakPolarHBondContact O-CB 3.25Å; W338-F341 PolarHBondContact O-N 3.18Å; W338-D342 PolarHBondContact O-N 3.37Å; W338-D342 VanDerWaalsContact O-N 3.16Å; W338-K375 HydrophobicContact CH2-CB 3.92Å; W338-K375 HydrophobicContact CZ3-CB 3.77Å; W338-K375 HydrophobicContact CZ3-CD 4.22Å; W338-N397 VanDerWaalsContact CD2-ND2 3.3Å; W338-N397 HydrophobicContact CE3-CB 4.16Å; W338-N397 HydrophobicContact CH2-CB 3.87Å; W338-N397 HydrophobicContact CZ3-CB 3.57Å; W338-N397 WeakPolarHBondContact CZ3-ND2 3.29Å; W338-T399 HydrophobicContact CZ2-CG2 4.26Å
339E98.8Very high98.6Very high105 Ų10535.8 Ų35.849%0.49119%0.19SC..Hα-helixtrans-58.2-45.5168-65.4176.2173.800110.9G335 K336 F341 D342 E343G335-E339 PolarHBondContact O-N 3.4Å; K336-E339 WeakPolarHBondContact CD-OE2 3.36Å; K336-E339 IonicContact NZ-OE1 3.4Å; K336-E339 IonicContact NZ-OE2 3.58Å; K336-E339 PolarHBondContact NZ-OE2 3.14Å; E339-F341 VanDerWaalsContact C-N 3.34Å; E339-F341 PolarHBondContact O-N 3.21Å; E339-D342 PolarHBondContact O-N 3.14Å; E339-E343 PolarHBondContact O-N 3.46Å
340M98.9Very high98.5Very high9 Ų940.4 Ų40.44%0.04421%0.211CC..Hα-helixtrans-64.5-36.7176.5-17859.260.100112.7P291 V328 K336 S337 W338 D342 E343 M344 L426P291-M340 HydrophobicContact CB-CE 3.78Å; P291-M340 HydrophobicContact CG-CE 3.73Å; V328-M340 HydrophobicContact CB-CG 4.01Å; V328-M340 HydrophobicContact CB-SD 4.28Å; V328-M340 HydrophobicContact CG1-CE 3.99Å; V328-M340 HydrophobicContact CG1-CG 3.71Å; V328-M340 HydrophobicContact CG1-SD 3.89Å; V328-M340 HydrophobicContact CG2-CG 4.2Å; V328-M340 HydrophobicContact CG2-SD 3.9Å; K336-M340 WeakPolarHBondContact O-CB 3.23Å; K336-M340 PolarHBondContact O-N 2.53Å; S337-M340 PolarHBondContact O-N 3.15Å; W338-M340 VanDerWaalsContact C-N 3.3Å; W338-M340 PolarHBondContact O-N 3.39Å; M340-D342 VanDerWaalsContact C-N 3.33Å; M340-D342 PolarHBondContact O-N 3.21Å; M340-E343 PolarHBondContact O-N 2.82Å; M340-E343 HydrophobicContact SD-CB 4.43Å; M340-M344 HydrophobicContact CG-CG 4.17Å; M340-M344 HydrophobicContact CG-SD 3.85Å; M340-M344 WeakPolarHBondContact O-CB 3.43Å; M340-M344 VanDerWaalsContact O-CG 3.26Å; M340-M344 WeakPolarHBondContact O-CG 3.3Å; M340-M344 PolarHBondContact O-N 2.87Å; M340-M344 HydrophobicContact SD-CG 4Å; M340-M344 HydrophobicContact SD-SD 4.31Å; M340-L426 HydrophobicContact CB-CD1 4.49Å; M340-L426 HydrophobicContact CB-CD2 4.44Å; M340-L426 HydrophobicContact CG-CD1 4.22Å; M340-L426 HydrophobicContact CG-CD2 4.39Å
341F98.9Very high98.6Very high1 Ų140.3 Ų40.30%0.00421%0.211CC..Hα-helixtrans-59.2-45.4176.2178.8-101.6000111.4S337 W338 E339 M344 I345 K375 L377 C395 N397 L426S337-F341 WeakPolarHBondContact O-CB 3.13Å; S337-F341 PolarHBondContact O-N 3.37Å; W338-F341 HydrophobicContact CE3-CB 4.29Å; W338-F341 HydrophobicContact CE3-CD1 4.37Å; W338-F341 HydrophobicContact CE3-CG 4.34Å; W338-F341 HydrophobicContact CZ3-CG 4.49Å; W338-F341 WeakPolarHBondContact O-CB 3.25Å; W338-F341 PolarHBondContact O-N 3.18Å; E339-F341 VanDerWaalsContact C-N 3.34Å; E339-F341 PolarHBondContact O-N 3.21Å; F341-M344 PolarHBondContact O-N 3.26Å; F341-I345 WeakPolarHBondContact O-CG2 3.37Å; F341-I345 PolarHBondContact O-N 2.89Å; F341-K375 HydrophobicContact CE1-CD 3.84Å; F341-K375 HydrophobicContact CE1-CG 4.23Å; F341-K375 HydrophobicContact CZ-CB 4.4Å; F341-K375 HydrophobicContact CZ-CD 4.14Å; F341-K375 HydrophobicContact CZ-CG 4Å; F341-L377 HydrophobicContact CE1-CD1 3.57Å; F341-L377 HydrophobicContact CE1-CG 3.72Å; F341-L377 HydrophobicContact CZ-CB 4.08Å; F341-L377 HydrophobicContact CZ-CD1 3.97Å; F341-L377 HydrophobicContact CZ-CG 3.65Å; F341-C395 VanDerWaalsContact CE2-O 3.27Å; F341-C395 WeakPolarHBondContact CE2-O 3.38Å; F341-N397 HydrophobicContact CB-CB 4.39Å; F341-N397 HydrophobicContact CD2-CB 3.68Å; F341-N397 HydrophobicContact CE2-CB 4.23Å; F341-N397 HydrophobicContact CG-CB 4.24Å; F341-L426 HydrophobicContact CB-CD2 3.71Å; F341-L426 HydrophobicContact CD2-CD2 4.26Å
342D98.8Very high98.6Very high94 Ų9439.3 Ų39.350%0.50320%0.203SC..Hα-helixtrans-67.8-35.9176.2-69-26.6000111.8W338 E339 M340 I345 G346W338-D342 PolarHBondContact O-N 3.37Å; W338-D342 VanDerWaalsContact O-N 3.16Å; E339-D342 PolarHBondContact O-N 3.14Å; M340-D342 VanDerWaalsContact C-N 3.33Å; M340-D342 PolarHBondContact O-N 3.21Å; D342-I345 VanDerWaalsContact O-CG2 3.28Å; D342-I345 WeakPolarHBondContact O-CG2 3.2Å; D342-G346 PolarHBondContact O-N 2.93Å
343E98.9Very high98.6Very high75 Ų7541.5 Ų41.535%0.3521%0.212SC..Hα-helixtrans-65.1-41.8174.3-168-174.3149.200112.6R293 E339 M340 G346 T347R293-E343 IonicContact CZ-OE1 3.05Å; R293-E343 IonicContact NH1-OE1 2.65Å; R293-E343 PolarHBondContact NH1-OE1 3.03Å; R293-E343 VanDerWaalsContact NH2-CD 3.32Å; R293-E343 IonicContact NH2-OE1 3.52Å; R293-E343 PolarHBondContact NH2-OE1 3.12Å; R293-E343 IonicContact NH2-OE2 2.7Å; R293-E343 PolarHBondContact NH2-OE2 3.22Å; E339-E343 PolarHBondContact O-N 3.46Å; M340-E343 PolarHBondContact O-N 2.82Å; M340-E343 HydrophobicContact SD-CB 4.43Å; E343-G346 PolarHBondContact O-N 2.86Å; E343-T347 WeakPolarHBondContact O-CB 2.97Å; E343-T347 PolarHBondContact O-N 2.92Å; E343-T347 PolarHBondContact O-OG1 3.39Å
344M98.9Very high98.7Very high0 Ų041 Ų410%021%0.213CC..Hα-helixtrans-68.1-44.1-178.7-75174.763.500112Q326 V328 M340 F341 T347 A348 L426 N427 A428Q326-M344 HydrophobicContact CB-CE 3.86Å; Q326-M344 PolarHBondContact NE2-O 2.94Å; V328-M344 HydrophobicContact CB-SD 3.97Å; V328-M344 HydrophobicContact CG2-CE 4.31Å; V328-M344 HydrophobicContact CG2-CG 4.24Å; V328-M344 HydrophobicContact CG2-SD 3.59Å; V328-M344 VanDerWaalsContact CG2-SD 3.59Å; M340-M344 HydrophobicContact CG-CG 4.17Å; M340-M344 HydrophobicContact CG-SD 3.85Å; M340-M344 WeakPolarHBondContact O-CB 3.43Å; M340-M344 VanDerWaalsContact O-CG 3.26Å; M340-M344 WeakPolarHBondContact O-CG 3.3Å; M340-M344 PolarHBondContact O-N 2.87Å; M340-M344 HydrophobicContact SD-CG 4Å; M340-M344 HydrophobicContact SD-SD 4.31Å; F341-M344 PolarHBondContact O-N 3.26Å; M344-T347 PolarHBondContact O-N 3.46Å; M344-A348 PolarHBondContact O-N 3.47Å; M344-A348 VanDerWaalsContact O-N 3.13Å; M344-L426 HydrophobicContact CE-CB 3.95Å; M344-L426 HydrophobicContact SD-CB 3.53Å; M344-L426 VanDerWaalsContact SD-CB 3.53Å; M344-L426 HydrophobicContact SD-CD2 4.23Å; M344-L426 HydrophobicContact SD-CG 4.41Å; M344-N427 VanDerWaalsContact CE-C 3.44Å; M344-A428 HydrophobicContact CB-CB 4.35Å; M344-A428 HydrophobicContact CE-CB 3.66Å
345I98.8Very high98.8Very high0 Ų034 Ų340%018%0.176CC..Hα-helixtrans-67.5-39.1174.6-16961.7000110.9F341 D342 T347 A348 E349 I361 L377 V393 C395F341-I345 WeakPolarHBondContact O-CG2 3.37Å; F341-I345 PolarHBondContact O-N 2.89Å; D342-I345 VanDerWaalsContact O-CG2 3.28Å; D342-I345 WeakPolarHBondContact O-CG2 3.2Å; I345-T347 VanDerWaalsContact C-N 3.3Å; I345-T347 PolarHBondContact O-N 2.78Å; I345-A348 WeakPolarHBondContact O-CB 3.27Å; I345-A348 PolarHBondContact O-N 3.13Å; I345-E349 WeakPolarHBondContact O-CG 3.46Å; I345-E349 PolarHBondContact O-N 2.91Å; I345-I361 HydrophobicContact CD1-CD1 4.06Å; I345-I361 HydrophobicContact CG1-CD1 4.14Å; I345-L377 HydrophobicContact CB-CD1 4.39Å; I345-L377 HydrophobicContact CD1-CB 4.28Å; I345-L377 HydrophobicContact CG1-CB 4.27Å; I345-L377 HydrophobicContact CG1-CD1 4.15Å; I345-L377 HydrophobicContact CG2-CD1 4.05Å; I345-V393 HydrophobicContact CD1-CG1 4.49Å; I345-C395 HydrophobicContact CB-CB 4.33Å; I345-C395 HydrophobicContact CD1-CB 3.96Å
346G98.8Very high98.8Very high16 Ų1633.9 Ų33.917%0.16517%0.174CC..Hα-helixtrans-62.3-37.317500000112.7D342 E343 E349 E350D342-G346 PolarHBondContact O-N 2.93Å; E343-G346 PolarHBondContact O-N 2.86Å; G346-E349 WeakPolarHBondContact O-CB 3.25Å; G346-E349 PolarHBondContact O-N 3.36Å; G346-E350 WeakPolarHBondContact O-CG 3.43Å; G346-E350 PolarHBondContact O-N 3.44Å
347T98.9Very high98.8Very high1 Ų129.4 Ų29.41%0.00616%0.155CC..Hα-helixtrans-64.3-39.5174.1-65.20000112L215 K218 E343 M344 I345 F351 M430L215-T347 HydrophobicContact CD2-CG2 3.84Å; K218-T347 HydrophobicContact CD-CG2 3.52Å; K218-T347 WeakPolarHBondContact CD-OG1 3.27Å; K218-T347 PolarHBondContact NZ-OG1 3.42Å; E343-T347 WeakPolarHBondContact O-CB 2.97Å; E343-T347 PolarHBondContact O-N 2.92Å; E343-T347 PolarHBondContact O-OG1 3.39Å; M344-T347 PolarHBondContact O-N 3.46Å; I345-T347 VanDerWaalsContact C-N 3.3Å; I345-T347 PolarHBondContact O-N 2.78Å; T347-F351 PolarHBondContact O-N 2.91Å; T347-M430 HydrophobicContact CG2-CE 4.44Å; T347-M430 HydrophobicContact CG2-SD 4.31Å
348A98.8Very high98.8Very high0 Ų029.8 Ų29.80%016%0.158CC..Hα-helixtrans-66.3-44.9172.700000111.1M344 I345 E350 F351 Y352 V393M344-A348 PolarHBondContact O-N 3.47Å; M344-A348 VanDerWaalsContact O-N 3.13Å; I345-A348 WeakPolarHBondContact O-CB 3.27Å; I345-A348 PolarHBondContact O-N 3.13Å; A348-E350 PolarHBondContact O-N 3.05Å; A348-F351 WeakPolarHBondContact O-CB 3.43Å; A348-F351 PolarHBondContact O-N 3.17Å; A348-F351 VanDerWaalsContact O-N 3.12Å; A348-Y352 WeakPolarHBondContact O-CD2 3.43Å; A348-Y352 PolarHBondContact O-N 2.97Å; A348-V393 HydrophobicContact CB-CG1 4.15Å; A348-V393 HydrophobicContact CB-CG2 4.25Å
349E98.9Very high98.8Very high17 Ų1727 Ų278%0.07915%0.147CC..Hα-helixtrans-53.8-50.8175-74.2-170.5111.100112R157 I345 G346 F351 Y352 Q353 Y359 I361 L379R157-E349 IonicContact CZ-OE1 3.29Å; R157-E349 IonicContact CZ-OE2 3.11Å; R157-E349 IonicContact NE-OE1 3.48Å; R157-E349 IonicContact NE-OE2 3.97Å; R157-E349 IonicContact NH1-OE1 3.96Å; R157-E349 IonicContact NH1-OE2 2.72Å; R157-E349 PolarHBondContact NH1-OE2 3.39Å; R157-E349 IonicContact NH2-OE2 2.67Å; I345-E349 WeakPolarHBondContact O-CG 3.46Å; I345-E349 PolarHBondContact O-N 2.91Å; G346-E349 WeakPolarHBondContact O-CB 3.25Å; G346-E349 PolarHBondContact O-N 3.36Å; E349-F351 PolarHBondContact O-N 3.17Å; E349-Y352 PolarHBondContact O-N 3.16Å; E349-Y352 VanDerWaalsContact O-N 3.13Å; E349-Q353 WeakPolarHBondContact O-CB 3.27Å; E349-Q353 WeakPolarHBondContact O-CG 3.4Å; E349-Q353 PolarHBondContact O-N 3.24Å; E349-Y359 VanDerWaalsContact CB-OH 3.25Å; E349-Y359 WeakPolarHBondContact CB-OH 3.32Å; E349-Y359 VanDerWaalsContact CD-OH 3.29Å; E349-Y359 HydrophobicContact CG-CE2 3.85Å; E349-Y359 WeakPolarHBondContact CG-OH 3.29Å; E349-Y359 WeakPolarHBondContact OE1-CE2 3.29Å; E349-Y359 PolarHBondContact OE1-OH 3.22Å; E349-I361 HydrophobicContact CG-CD1 3.85Å; E349-I361 HydrophobicContact CG-CG1 4.29Å; E349-I361 WeakPolarHBondContact OE1-CG1 3.35Å; E349-L379 HydrophobicContact CG-CD1 4.2Å
350E98.8Very high98.8Very high97 Ų9725.4 Ų25.445%0.45314%0.136SC..Hα-helixtrans-54.6-39.4177.5-74.9172.8-157.800112.5K218 G346 A348 S354K218-E350 WeakPolarHBondContact CE-OE2 3.48Å; K218-E350 VanDerWaalsContact NZ-CD 3.33Å; K218-E350 IonicContact NZ-OE1 3.33Å; K218-E350 PolarHBondContact NZ-OE1 3.29Å; K218-E350 IonicContact NZ-OE2 3.62Å; K218-E350 PolarHBondContact NZ-OE2 3.42Å; G346-E350 WeakPolarHBondContact O-CG 3.43Å; G346-E350 PolarHBondContact O-N 3.44Å; A348-E350 PolarHBondContact O-N 3.05Å; E350-S354 VanDerWaalsContact O-CB 3.27Å; E350-S354 WeakPolarHBondContact O-CB 3.35Å; E350-S354 PolarHBondContact O-N 2.98Å; E350-S354 PolarHBondContact O-OG 3.29Å
351F98.9Very high98.8Very high0 Ų025 Ų250%013%0.134CC..Hα-helixtrans-60.8-53.2175.5176.5-102.4000111.6L207 Y210 A211 I214 T347 A348 E349 Q353 S354 L355 M430 C431L207-F351 HydrophobicContact CD2-CZ 4.19Å; Y210-F351 AromaticContact CD1-CD2 3.95Å; Y210-F351 HydrophobicContact CD1-CD2 3.95Å; Y210-F351 AromaticContact CD1-CE2 3.46Å; Y210-F351 HydrophobicContact CD1-CE2 3.46Å; Y210-F351 VanDerWaalsContact CD1-CE2 3.46Å; Y210-F351 HydrophobicContact CD1-CZ 4.39Å; Y210-F351 AromaticContact CE1-CD2 3.88Å; Y210-F351 HydrophobicContact CE1-CD2 3.88Å; Y210-F351 AromaticContact CE1-CE2 3.86Å; Y210-F351 HydrophobicContact CE1-CE2 3.86Å; Y210-F351 HydrophobicContact CG-CE2 4.42Å; A211-F351 HydrophobicContact CB-CE2 3.82Å; A211-F351 HydrophobicContact CB-CZ 4.21Å; I214-F351 HydrophobicContact CD1-CD2 3.67Å; I214-F351 HydrophobicContact CD1-CE2 4.47Å; T347-F351 PolarHBondContact O-N 2.91Å; A348-F351 WeakPolarHBondContact O-CB 3.43Å; A348-F351 PolarHBondContact O-N 3.17Å; A348-F351 VanDerWaalsContact O-N 3.12Å; E349-F351 PolarHBondContact O-N 3.17Å; F351-Q353 PolarHBondContact O-N 3.26Å; F351-S354 PolarHBondContact O-N 3.46Å; F351-S354 PolarHBondContact O-OG 3.21Å; F351-L355 HydrophobicContact CD1-CD1 4.02Å; F351-L355 HydrophobicContact CE1-CD1 3.48Å; F351-L355 VanDerWaalsContact CE1-CD1 3.48Å; F351-L355 HydrophobicContact CE2-CD1 4.13Å; F351-L355 HydrophobicContact CZ-CD1 3.56Å; F351-L355 WeakPolarHBondContact O-CG 3.1Å; F351-L355 PolarHBondContact O-N 3.27Å; F351-L355 VanDerWaalsContact O-N 3.1Å; F351-M430 HydrophobicContact CB-CE 3.51Å; F351-M430 HydrophobicContact CB-SD 4.05Å; F351-M430 HydrophobicContact CD2-CE 3.62Å; F351-M430 HydrophobicContact CE2-CE 4.5Å; F351-M430 HydrophobicContact CG-CE 3.73Å; F351-M430 HydrophobicContact CG-SD 4.29Å; F351-C431 HydrophobicContact CE1-CB 3.87Å; F351-C431 HydrophobicContact CZ-CB 3.83Å
352Y98.9Very high98.8Very high0 Ų025 Ų250%013%0.134CC..Hα-helixtrans-68.8-35.4-178.4-70.9-78.3000113A348 E349 S354 L355 G356 I357 L379 L392 V393 M430 V436A348-Y352 WeakPolarHBondContact O-CD2 3.43Å; A348-Y352 PolarHBondContact O-N 2.97Å; E349-Y352 PolarHBondContact O-N 3.16Å; E349-Y352 VanDerWaalsContact O-N 3.13Å; Y352-S354 VanDerWaalsContact C-N 3.34Å; Y352-L355 CarbonylContact O-C 3.58Å; Y352-L355 PolarHBondContact O-N 3.2Å; Y352-G356 PolarHBondContact O-N 3.24Å; Y352-G356 VanDerWaalsContact O-N 3.12Å; Y352-I357 HydrophobicContact CD1-CB 4.29Å; Y352-I357 HydrophobicContact CD1-CG2 4.41Å; Y352-I357 PolarHBondContact O-N 3.43Å; Y352-L379 HydrophobicContact CD2-CD1 3.62Å; Y352-L379 HydrophobicContact CD2-CD2 4.02Å; Y352-L379 HydrophobicContact CD2-CG 4.48Å; Y352-L379 HydrophobicContact CE2-CD1 4.31Å; Y352-L379 HydrophobicContact CE2-CD2 4.39Å; Y352-L379 HydrophobicContact CG-CD1 4.21Å; Y352-L379 HydrophobicContact CG-CD2 4.14Å; Y352-L392 HydrophobicContact CD1-CD1 4.1Å; Y352-L392 HydrophobicContact CE1-CB 4.13Å; Y352-L392 HydrophobicContact CE1-CD1 3.46Å; Y352-L392 VanDerWaalsContact CE1-CD1 3.46Å; Y352-L392 HydrophobicContact CE1-CG 4.46Å; Y352-V393 HydrophobicContact CD2-CG2 4.25Å; Y352-V393 HydrophobicContact CE2-CG2 3.28Å; Y352-M430 PolarHBondContact OH-O 3.28Å; Y352-V436 HydrophobicContact CE1-CG1 4.32Å; Y352-V436 HydrophobicContact CE1-CG2 3.84Å; Y352-V436 WeakPolarHBondContact OH-CG2 3.47Å
353Q98.9Very high98.8Very high72 Ų7220.5 Ų20.534%0.33611%0.11SC..Hα-helixtrans-61.4-43.5172.4-67.5179.67.100111.2W159 E349 F351 L355 G356 Y359W159-Q353 HydrophobicContact CD2-CB 4.48Å; W159-Q353 HydrophobicContact CD2-CG 3.71Å; W159-Q353 HydrophobicContact CE3-CG 4.25Å; W159-Q353 HydrophobicContact CG-CG 3.98Å; W159-Q353 HydrophobicContact CH2-CB 4.29Å; W159-Q353 HydrophobicContact CZ2-CB 3.91Å; W159-Q353 HydrophobicContact CZ2-CG 3.99Å; E349-Q353 WeakPolarHBondContact O-CB 3.27Å; E349-Q353 WeakPolarHBondContact O-CG 3.4Å; E349-Q353 PolarHBondContact O-N 3.24Å; F351-Q353 PolarHBondContact O-N 3.26Å; Q353-L355 PolarHBondContact O-N 3.21Å; Q353-G356 PolarHBondContact O-N 2.87Å; Q353-Y359 HydrophobicContact CG-CE1 3.82Å; Q353-Y359 PolarHBondContact NE2-OH 2.96Å
354S98.7Very high98.8Very high38 Ų3816.9 Ų16.927%0.2669%0.094SC..Hα-helixtrans-66.8-25.2177.8790000113.6Y210 E350 F351 Y352 G356 K455Y210-S354 WeakPolarHBondContact CE1-OG 3.33Å; Y210-S354 VanDerWaalsContact OH-CB 3.22Å; Y210-S354 WeakPolarHBondContact OH-CB 3.24Å; Y210-S354 PolarHBondContact OH-OG 2.91Å; E350-S354 VanDerWaalsContact O-CB 3.27Å; E350-S354 WeakPolarHBondContact O-CB 3.35Å; E350-S354 PolarHBondContact O-N 2.98Å; E350-S354 PolarHBondContact O-OG 3.29Å; F351-S354 PolarHBondContact O-N 3.46Å; F351-S354 PolarHBondContact O-OG 3.21Å; Y352-S354 VanDerWaalsContact C-N 3.34Å; S354-G356 VanDerWaalsContact C-N 3.34Å; S354-K455 WeakPolarHBondContact O-CG 3.2Å
355L98.8Very high98.8Very high0 Ų016.9 Ų16.90%09%0.094CC..THydrogen-bonded Turntrans-87.1-0.3172.5-67.6-179.5000113.2L207 Y210 F351 Y352 Q353 I357 V436 Y444 P453 L456L207-L355 HydrophobicContact CD2-CD1 4.07Å; Y210-L355 HydrophobicContact CD1-CD2 4Å; Y210-L355 HydrophobicContact CE1-CD2 3.83Å; Y210-L355 HydrophobicContact CE1-CG 4.17Å; F351-L355 HydrophobicContact CD1-CD1 4.02Å; F351-L355 HydrophobicContact CE1-CD1 3.48Å; F351-L355 VanDerWaalsContact CE1-CD1 3.48Å; F351-L355 HydrophobicContact CE2-CD1 4.13Å; F351-L355 HydrophobicContact CZ-CD1 3.56Å; F351-L355 WeakPolarHBondContact O-CG 3.1Å; F351-L355 PolarHBondContact O-N 3.27Å; F351-L355 VanDerWaalsContact O-N 3.1Å; Y352-L355 CarbonylContact O-C 3.58Å; Y352-L355 PolarHBondContact O-N 3.2Å; Q353-L355 PolarHBondContact O-N 3.21Å; L355-I357 VanDerWaalsContact C-N 3.3Å; L355-I357 HydrophobicContact CB-CG1 3.96Å; L355-I357 PolarHBondContact O-N 3.04Å; L355-V436 HydrophobicContact CD1-CG1 4.21Å; L355-Y444 VanDerWaalsContact O-CE2 3.29Å; L355-Y444 WeakPolarHBondContact O-CE2 3.3Å; L355-Y444 PolarHBondContact O-OH 3.35Å; L355-P453 HydrophobicContact CD2-CB 4.29Å; L355-L456 HydrophobicContact CD2-CD1 4Å; L355-L456 HydrophobicContact CD2-CD2 3.92Å; L355-L456 HydrophobicContact CD2-CG 3.76Å
356G98.6Very high98.8Very high31 Ų3116.9 Ų16.932%0.329%0.094SC..THydrogen-bonded Turntrans67.225.4179.600000114.6Y352 Q353 S354 P358Y352-G356 PolarHBondContact O-N 3.24Å; Y352-G356 VanDerWaalsContact O-N 3.12Å; Q353-G356 PolarHBondContact O-N 2.87Å; S354-G356 VanDerWaalsContact C-N 3.34Å; G356-P358 WeakPolarHBondContact O-CD 3.34Å
357I98.8Very high98.7Very high0 Ų016.7 Ų16.70%09%0.091CC..  trans-95.6115.6-176.5-57.7-60.3000110.4W159 Y352 L355 Y359 A381 A439 I440 N443 Y444W159-I357 VanDerWaalsContact CZ3-O 3.27Å; W159-I357 WeakPolarHBondContact CZ3-O 3.37Å; Y352-I357 HydrophobicContact CD1-CB 4.29Å; Y352-I357 HydrophobicContact CD1-CG2 4.41Å; Y352-I357 PolarHBondContact O-N 3.43Å; L355-I357 VanDerWaalsContact C-N 3.3Å; L355-I357 HydrophobicContact CB-CG1 3.96Å; L355-I357 PolarHBondContact O-N 3.04Å; I357-Y359 WeakPolarHBondContact O-CD1 3.5Å; I357-A381 HydrophobicContact CG2-CB 3.67Å; I357-A439 HydrophobicContact CD1-CB 4.48Å; I357-A439 HydrophobicContact CG2-CB 4.24Å; I357-I440 HydrophobicContact CD1-CG1 4.1Å; I357-N443 HydrophobicContact CD1-CB 3.92Å; I357-Y444 HydrophobicContact CD1-CD2 4.4Å; I357-Y444 HydrophobicContact CD1-CE2 4.02Å
358P98.8Very high98.6Very high9 Ų918 Ų186%0.05810%0.102CC..  trans-65.7142.3176.724.6-30.6000111.6W159 G356 A381 W382 N443W159-P358 CarbonylContact O-C 3.52Å; W159-P358 VanDerWaalsContact O-CA 3.3Å; W159-P358 WeakPolarHBondContact O-CA 3.37Å; G356-P358 WeakPolarHBondContact O-CD 3.34Å; P358-A381 CarbonylContact O-C 3.48Å; P358-A381 WeakPolarHBondContact O-CA 3.33Å; P358-W382 HydrophobicContact CB-CB 4.18Å; P358-W382 HydrophobicContact CG-CB 4.01Å; P358-W382 HydrophobicContact CG-CG 4.49Å; P358-W382 PolarHBondContact O-N 3.46Å; P358-N443 WeakPolarHBondContact CD-OD1 3.25Å; P358-N443 WeakPolarHBondContact CG-OD1 3.46Å
359Y98.9Very high98.6Very high1 Ų118.3 Ų18.30%0.00410%0.104CC..EExtended strand (participates in β ladder)trans-155.3170.9-176.469.4-96.6000114T158 W159 E349 Q353 I357 I361 L379 E380T158-Y359 WeakPolarHBondContact CA-O 3.49Å; W159-Y359 HydrophobicContact CB-CD1 4.13Å; W159-Y359 HydrophobicContact CB-CE1 3.63Å; W159-Y359 HydrophobicContact CB-CE2 4.1Å; W159-Y359 HydrophobicContact CD2-CE1 4.08Å; W159-Y359 HydrophobicContact CE3-CD1 4.08Å; W159-Y359 AromaticContact CE3-CE1 3.96Å; W159-Y359 HydrophobicContact CE3-CE1 3.96Å; W159-Y359 AromaticContact CG-CE1 3.95Å; W159-Y359 HydrophobicContact CG-CE1 3.95Å; W159-Y359 PolarHBondContact N-O 3.45Å; W159-Y359 PolarHBondContact O-N 2.94Å; E349-Y359 VanDerWaalsContact CB-OH 3.25Å; E349-Y359 WeakPolarHBondContact CB-OH 3.32Å; E349-Y359 VanDerWaalsContact CD-OH 3.29Å; E349-Y359 HydrophobicContact CG-CE2 3.85Å; E349-Y359 WeakPolarHBondContact CG-OH 3.29Å; E349-Y359 WeakPolarHBondContact OE1-CE2 3.29Å; E349-Y359 PolarHBondContact OE1-OH 3.22Å; Q353-Y359 HydrophobicContact CG-CE1 3.82Å; Q353-Y359 PolarHBondContact NE2-OH 2.96Å; I357-Y359 WeakPolarHBondContact O-CD1 3.5Å; Y359-I361 HydrophobicContact CD2-CD1 4.01Å; Y359-I361 HydrophobicContact CD2-CG1 4.25Å; Y359-I361 HydrophobicContact CE2-CD1 3.77Å; Y359-I361 HydrophobicContact CE2-CG1 3.84Å; Y359-L379 HydrophobicContact CD1-CD1 4.17Å; Y359-L379 HydrophobicContact CD1-CD2 4.33Å; Y359-L379 HydrophobicContact CD1-CG 4.42Å; Y359-L379 HydrophobicContact CD2-CD1 3.76Å; Y359-L379 HydrophobicContact CD2-CD2 4.14Å; Y359-L379 HydrophobicContact CD2-CG 3.57Å; Y359-L379 HydrophobicContact CE1-CD1 4.32Å; Y359-L379 HydrophobicContact CE2-CD1 3.94Å; Y359-L379 HydrophobicContact CE2-CG 4.22Å; Y359-L379 HydrophobicContact CG-CD1 3.92Å; Y359-L379 HydrophobicContact CG-CD2 3.75Å; Y359-L379 HydrophobicContact CG-CG 3.72Å; Y359-E380 CarbonylContact C-O 3.58Å; Y359-E380 VanDerWaalsContact CA-O 3.24Å; Y359-E380 WeakPolarHBondContact CA-O 3.43Å; Y359-E380 WeakPolarHBondContact CB-O 3.41Å
360R98.8Very high98.4Very high72 Ų7220.2 Ų20.227%0.27212%0.115SC..EExtended strand (participates in β ladder)trans-126.6148.5164.266.6-179.4-174.5177.13.1111.2V155 R157 T158 V362 E380 F389V155-R360 HydrophobicContact CG1-CB 4.21Å; R157-R360 CarbonylContact O-C 3.57Å; R157-R360 VanDerWaalsContact O-CA 3.27Å; R157-R360 WeakPolarHBondContact O-CA 3.36Å; T158-R360 HydrophobicContact CG2-CB 3.94Å; R360-V362 HydrophobicContact CG-CG2 3.81Å; R360-E380 HydrophobicContact CG-CB 4.04Å; R360-E380 IonicContact CZ-OE2 2.7Å; R360-E380 PolarHBondContact N-O 2.87Å; R360-E380 IonicContact NE-OE2 3.48Å; R360-E380 PolarHBondContact NE-OE2 3.33Å; R360-E380 IonicContact NH2-OE2 3.28Å; R360-E380 PolarHBondContact NH2-OE2 2.86Å; R360-E380 PolarHBondContact O-N 3.38Å; R360-F389 HydrophobicContact CB-CD1 4.48Å; R360-F389 HydrophobicContact CB-CE1 4.02Å; R360-F389 HydrophobicContact CB-CZ 4.37Å; R360-F389 HydrophobicContact CG-CD1 3.7Å; R360-F389 HydrophobicContact CG-CE1 3.71Å; R360-F389 HydrophobicContact CG-CG 4.15Å; R360-F389 HydrophobicContact CG-CZ 4.17Å
361I98.9Very high98.3Very high0 Ų016.3 Ų16.30%010%0.096CC..EExtended strand (participates in β ladder)trans-97.7129.4169.2-58.5-60.5000108.5V155 E156 R157 I345 E349 Y359 L377 D378 L379V155-I361 CarbonylContact C-O 3.5Å; V155-I361 WeakPolarHBondContact CA-O 3.46Å; E156-I361 HydrophobicContact CB-CG2 4.29Å; E156-I361 PolarHBondContact N-O 2.8Å; R157-I361 HydrophobicContact CB-CB 4.07Å; R157-I361 HydrophobicContact CB-CG1 4.04Å; R157-I361 PolarHBondContact O-N 2.98Å; I345-I361 HydrophobicContact CD1-CD1 4.06Å; I345-I361 HydrophobicContact CG1-CD1 4.14Å; E349-I361 HydrophobicContact CG-CD1 3.85Å; E349-I361 HydrophobicContact CG-CG1 4.29Å; E349-I361 WeakPolarHBondContact OE1-CG1 3.35Å; Y359-I361 HydrophobicContact CD2-CD1 4.01Å; Y359-I361 HydrophobicContact CD2-CG1 4.25Å; Y359-I361 HydrophobicContact CE2-CD1 3.77Å; Y359-I361 HydrophobicContact CE2-CG1 3.84Å; I361-L377 HydrophobicContact CG2-CB 4.25Å; I361-L377 HydrophobicContact CG2-CD1 4.18Å; I361-L377 HydrophobicContact CG2-CD2 4.12Å; I361-L377 HydrophobicContact CG2-CG 4.4Å; I361-D378 WeakPolarHBondContact CA-O 3.38Å; I361-L379 HydrophobicContact CD1-CB 3.8Å; I361-L379 HydrophobicContact CD1-CD1 3.94Å; I361-L379 HydrophobicContact CD1-CG 3.84Å
362V98.6Very high98.3Very high1 Ų116.3 Ų16.31%0.00610%0.096CC..EExtended strand (participates in β ladder)trans-122.9129.5-174.7-174.60000109.7N153 K154 R360 I364 L377 D378 E380N153-V362 HydrophobicContact CB-CG1 3.45Å; N153-V362 VanDerWaalsContact CB-CG1 3.45Å; K154-V362 CarbonylContact O-C 3.58Å; K154-V362 WeakPolarHBondContact O-CA 3.22Å; R360-V362 HydrophobicContact CG-CG2 3.81Å; V362-I364 HydrophobicContact CB-CD1 4.38Å; V362-I364 HydrophobicContact CG1-CD1 3.95Å; V362-L377 CarbonylContact O-C 3.59Å; V362-L377 VanDerWaalsContact O-CA 3.29Å; V362-L377 WeakPolarHBondContact O-CA 3.4Å; V362-D378 PolarHBondContact N-O 2.64Å; V362-D378 PolarHBondContact O-N 3.42Å; V362-E380 HydrophobicContact CG2-CG 4.17Å
363N98.8Very high98.3Very high0 Ų016.3 Ų16.30%010%0.096CC..EExtended strand (participates in β ladder)trans-92.4115.9172.5-175.71.9000109.2S142 P144 K154 E156 L377S142-N363 PolarHBondContact O-ND2 3.41Å; P144-N363 WeakPolarHBondContact CD-OD1 3.41Å; P144-N363 WeakPolarHBondContact CG-O 3.3Å; K154-N363 HydrophobicContact CB-CB 4.39Å; K154-N363 PolarHBondContact N-O 3.01Å; K154-N363 VanDerWaalsContact N-O 3.14Å; K154-N363 PolarHBondContact O-N 3.3Å; E156-N363 HydrophobicContact CG-CB 3.76Å; E156-N363 VanDerWaalsContact OE1-CB 3.29Å; E156-N363 WeakPolarHBondContact OE1-CB 3.26Å; E156-N363 PolarHBondContact OE1-ND2 2.87Å; N363-L377 HydrophobicContact CB-CD2 3.63Å
364I98.7Very high98.3Very high0 Ų013.2 Ų13.20%08%0.082CC..  trans-81.2135.9-164.5-57.8-65.6000110.6N153 V362 A368 L369 K376 D378N153-I364 WeakPolarHBondContact ND2-CD1 3.39Å; N153-I364 WeakPolarHBondContact OD1-CA 3.09Å; V362-I364 HydrophobicContact CB-CD1 4.38Å; V362-I364 HydrophobicContact CG1-CD1 3.95Å; I364-A368 HydrophobicContact CG2-CB 3.83Å; I364-L369 HydrophobicContact CB-CD2 4.15Å; I364-L369 HydrophobicContact CG2-CD2 4.11Å; I364-K376 HydrophobicContact CB-CB 4.33Å; I364-K376 HydrophobicContact CG1-CB 4.45Å; I364-K376 HydrophobicContact CG1-CG 4.38Å; I364-K376 PolarHBondContact N-O 3.08Å; I364-D378 HydrophobicContact CD1-CB 4.05Å; I364-D378 WeakPolarHBondContact CD1-OD2 3.5Å; I364-D378 HydrophobicContact CG1-CB 4.31Å
365V98.6Very high98.3Very high0 Ų012.4 Ų12.40%07%0.074CC..  trans-61.2147.4-180-63.30000112.4P144 S146 E149 D152 N153 G367 A368 L369P144-V365 HydrophobicContact CB-CG1 4.18Å; P144-V365 HydrophobicContact CG-CG1 4Å; P144-V365 CarbonylContact O-C 3.54Å; P144-V365 VanDerWaalsContact O-CA 3.31Å; P144-V365 WeakPolarHBondContact O-CA 3.45Å; S146-V365 WeakPolarHBondContact O-CB 3.41Å; E149-V365 HydrophobicContact CG-CG2 3.95Å; D152-V365 VanDerWaalsContact C-CG1 3.46Å; D152-V365 HydrophobicContact CB-CG1 3.84Å; D152-V365 WeakPolarHBondContact O-CG1 3.38Å; N153-V365 WeakPolarHBondContact OD1-CG1 3.43Å; N153-V365 PolarHBondContact OD1-N 3.48Å; V365-G367 VanDerWaalsContact C-N 3.26Å; V365-G367 PolarHBondContact O-N 2.71Å; V365-A368 HydrophobicContact CG2-CB 3.98Å; V365-A368 PolarHBondContact O-N 2.96Å; V365-L369 PolarHBondContact O-N 2.76Å
366S98.6Very high98.3Very high0 Ų013.9 Ų13.90%08%0.081CC..G310 helixtrans-57.6-32.3-174.553.30000114.7K25 P144 V145 S146 A368 L369K25-S366 WeakPolarHBondContact O-CB 3.49Å; K25-S366 PolarHBondContact O-OG 2.83Å; P144-S366 PolarHBondContact O-N 3Å; P144-S366 PolarHBondContact O-OG 3.43Å; V145-S366 WeakPolarHBondContact CA-OG 3.31Å; S146-S366 PolarHBondContact N-OG 2.7Å; S366-A368 VanDerWaalsContact C-N 3.32Å; S366-L369 PolarHBondContact O-N 3.09Å
367G97.7Very high98.3Very high11 Ų1112.7 Ų12.711%0.1137%0.067CC..G310 helixtrans-69.2-26.7177.900000114.1S146 V365S146-G367 PolarHBondContact O-N 2.95Å; V365-G367 VanDerWaalsContact C-N 3.26Å; V365-G367 PolarHBondContact O-N 2.71Å
368A97.3Very high98.3Very high28 Ų2813 Ų1323%0.2317%0.068CC..G310 helixtrans-94.1-4179.400000113.5E149 I364 V365 S366E149-A368 HydrophobicContact CG-CB 3.51Å; I364-A368 HydrophobicContact CG2-CB 3.83Å; V365-A368 HydrophobicContact CG2-CB 3.98Å; V365-A368 PolarHBondContact O-N 2.96Å; S366-A368 VanDerWaalsContact C-N 3.32Å
369L97.5Very high98.3Very high7 Ų712.5 Ų12.54%0.0377%0.065CC..SBendtrans-73.2132.9173.3-64.3-176000110.7L139 V143 I364 V365 S366 A373 K376L139-L369 HydrophobicContact CD2-CD1 3.58Å; V143-L369 HydrophobicContact CG1-CD1 3.92Å; V143-L369 HydrophobicContact CG2-CD1 4.25Å; I364-L369 HydrophobicContact CB-CD2 4.15Å; I364-L369 HydrophobicContact CG2-CD2 4.11Å; V365-L369 PolarHBondContact O-N 2.76Å; S366-L369 PolarHBondContact O-N 3.09Å; L369-A373 HydrophobicContact CD2-CB 4.47Å; L369-K376 HydrophobicContact CD2-CB 3.36Å; L369-K376 HydrophobicContact CD2-CD 4.48Å
370N95.6Very high98.3Very high58 Ų5813.6 Ų13.631%0.317%0.071SC..  trans-65.4164.5168.676.1-29.9000110.2R26 A372 A373R26-N370 PolarHBondContact NH1-O 3.15Å; N370-A372 PolarHBondContact O-N 2.76Å; N370-A372 VanDerWaalsContact O-N 3.16Å; N370-A373 PolarHBondContact O-N 2.9Å; N370-A373 WeakPolarHBondContact OD1-CB 3.39Å; N370-A373 PolarHBondContact OD1-N 2.75Å; N370-A373 VanDerWaalsContact OD1-N 3.15Å
371H97.1Very high98.3Very high15 Ų1510.2 Ų10.27%0.0696%0.058CC..SBendtrans-58.3-31.3-177.1-63.6-25.1000114.1E134 G136 N137 Q239 Y401E134-H371 PolarHBondContact O-CE1 2.89Å; E134-H371 IonicContact OE2-NE2 3.53Å; G136-H371 CarbonylContact C-O 3.57Å; G136-H371 WeakPolarHBondContact CA-O 3.36Å; N137-H371 VanDerWaalsContact CB-O 3.3Å; N137-H371 WeakPolarHBondContact CB-O 3.41Å; N137-H371 PolarHBondContact N-O 3.01Å; Q239-H371 HydrophobicContact CG-CB 4.4Å; H371-Y401 HydrophobicContact CB-CE1 4.26Å
372A97.9Very high98.3Very high0 Ų011.3 Ų11.30%06%0.062CC..SBendtrans-76.7-41.9-176.700000113.7M1 N137 N370 S374 C398 Y401 Q402M1-A372 HydrophobicContact SD-CB 3.94Å; N137-A372 WeakPolarHBondContact CB-O 3.4Å; N137-A372 PolarHBondContact ND2-O 3.45Å; N370-A372 PolarHBondContact O-N 2.76Å; N370-A372 VanDerWaalsContact O-N 3.16Å; A372-S374 PolarHBondContact O-N 2.82Å; A372-C398 HydrophobicContact CB-CB 4.29Å; A372-C398 WeakPolarHBondContact O-CA 3.16Å; A372-Y401 VanDerWaalsContact CA-CD1 3.47Å; A372-Y401 HydrophobicContact CB-CD1 3.85Å; A372-Y401 HydrophobicContact CB-CE1 4.27Å; A372-Q402 HydrophobicContact CB-CG 4.34Å
373A98.5Very high98.3Very high0 Ų011.3 Ų11.30%06%0.062CC..  trans-69.7124.6-172.800000111.8R26 L369 N370R26-A373 PolarHBondContact NH2-O 2.87Å; L369-A373 HydrophobicContact CD2-CB 4.47Å; N370-A373 PolarHBondContact O-N 2.9Å; N370-A373 WeakPolarHBondContact OD1-CB 3.39Å; N370-A373 PolarHBondContact OD1-N 2.75Å; N370-A373 VanDerWaalsContact OD1-N 3.15Å
374S98.8Very high98.3Very high6 Ų611.5 Ų11.54%0.0426%0.063CC..SBendtrans-77.4-32.8167.1-178.30000111.6L138 H140 V143 A372 N397L138-S374 WeakPolarHBondContact O-CA 3.2Å; L138-S374 WeakPolarHBondContact O-CB 3.5Å; L138-S374 PolarHBondContact O-OG 3.49Å; H140-S374 PolarHBondContact N-O 3.46Å; H140-S374 PolarHBondContact N-OG 2.93Å; V143-S374 WeakPolarHBondContact CG2-O 3.3Å; A372-S374 PolarHBondContact O-N 2.82Å; S374-N397 WeakPolarHBondContact CB-O 3.38Å; S374-N397 PolarHBondContact N-O 3.1Å
375K98.9Very high98.2Very high22 Ų2212.6 Ų12.610%0.0968%0.075CC..EExtended strand (participates in β ladder)trans-152.5148171.5-177.4178.2175.8-179.20108.8H140 S142 V143 W338 F341 S396 N397H140-K375 HydrophobicContact CB-CB 3.92Å; H140-K375 HydrophobicContact CB-CD 4.31Å; S142-K375 WeakPolarHBondContact OG-CE 3.47Å; S142-K375 PolarHBondContact OG-NZ 2.84Å; V143-K375 HydrophobicContact CG2-CB 4Å; V143-K375 HydrophobicContact CG2-CG 4.01Å; W338-K375 HydrophobicContact CH2-CB 3.92Å; W338-K375 HydrophobicContact CZ3-CB 3.77Å; W338-K375 HydrophobicContact CZ3-CD 4.22Å; F341-K375 HydrophobicContact CE1-CD 3.84Å; F341-K375 HydrophobicContact CE1-CG 4.23Å; F341-K375 HydrophobicContact CZ-CB 4.4Å; F341-K375 HydrophobicContact CZ-CD 4.14Å; F341-K375 HydrophobicContact CZ-CG 4Å; K375-S396 WeakPolarHBondContact O-CA 3.37Å; K375-N397 PolarHBondContact O-N 2.82Å
376K98.9Very high98.1Very high31 Ų3114.8 Ų14.814%0.1359%0.09CC..EExtended strand (participates in β ladder)trans-132.9135.4175.1-171.4175.374.8167.40110.5I364 L369 D378 S394 C395 S396I364-K376 HydrophobicContact CB-CB 4.33Å; I364-K376 HydrophobicContact CG1-CB 4.45Å; I364-K376 HydrophobicContact CG1-CG 4.38Å; I364-K376 PolarHBondContact N-O 3.08Å; L369-K376 HydrophobicContact CD2-CB 3.36Å; L369-K376 HydrophobicContact CD2-CD 4.48Å; K376-D378 WeakPolarHBondContact CG-OD1 3.35Å; K376-D378 IonicContact NZ-OD2 3.38Å; K376-S394 WeakPolarHBondContact CD-OG 3.36Å; K376-C395 CarbonylContact C-O 3.56Å; K376-C395 VanDerWaalsContact CA-O 3.27Å; K376-C395 WeakPolarHBondContact CA-O 3.34Å; K376-S396 WeakPolarHBondContact CG-OG 3.35Å
377L98.9Very high98.1Very high5 Ų516.3 Ų16.33%0.02611%0.106CC..EExtended strand (participates in β ladder)trans-117.1127.5169-71.2-179.2000108.7E156 F341 I345 I361 V362 N363 C395E156-L377 HydrophobicContact CG-CD2 4.27Å; F341-L377 HydrophobicContact CE1-CD1 3.57Å; F341-L377 HydrophobicContact CE1-CG 3.72Å; F341-L377 HydrophobicContact CZ-CB 4.08Å; F341-L377 HydrophobicContact CZ-CD1 3.97Å; F341-L377 HydrophobicContact CZ-CG 3.65Å; I345-L377 HydrophobicContact CB-CD1 4.39Å; I345-L377 HydrophobicContact CD1-CB 4.28Å; I345-L377 HydrophobicContact CG1-CB 4.27Å; I345-L377 HydrophobicContact CG1-CD1 4.15Å; I345-L377 HydrophobicContact CG2-CD1 4.05Å; I361-L377 HydrophobicContact CG2-CB 4.25Å; I361-L377 HydrophobicContact CG2-CD1 4.18Å; I361-L377 HydrophobicContact CG2-CD2 4.12Å; I361-L377 HydrophobicContact CG2-CG 4.4Å; V362-L377 CarbonylContact O-C 3.59Å; V362-L377 VanDerWaalsContact O-CA 3.29Å; V362-L377 WeakPolarHBondContact O-CA 3.4Å; N363-L377 HydrophobicContact CB-CD2 3.63Å; L377-C395 PolarHBondContact N-O 2.99Å; L377-C395 PolarHBondContact O-N 3.01Å
378D98.8Very high98Very high6 Ų616.9 Ų16.93%0.03211%0.109CC..EExtended strand (participates in β ladder)trans-104.6139.6174.5-67.7-1.5000109.9I361 V362 I364 K376 E391 V393 S394I361-D378 WeakPolarHBondContact CA-O 3.38Å; V362-D378 PolarHBondContact N-O 2.64Å; V362-D378 PolarHBondContact O-N 3.42Å; I364-D378 HydrophobicContact CD1-CB 4.05Å; I364-D378 WeakPolarHBondContact CD1-OD2 3.5Å; I364-D378 HydrophobicContact CG1-CB 4.31Å; K376-D378 WeakPolarHBondContact CG-OD1 3.35Å; K376-D378 IonicContact NZ-OD2 3.38Å; D378-E391 HydrophobicContact CB-CG 4.38Å; D378-V393 CarbonylContact C-O 3.55Å; D378-V393 WeakPolarHBondContact CA-O 3.43Å; D378-V393 WeakPolarHBondContact CB-O 3.44Å; D378-S394 WeakPolarHBondContact OD1-CA 3.32Å; D378-S394 VanDerWaalsContact OD1-CB 3.29Å; D378-S394 WeakPolarHBondContact OD1-CB 3.42Å
379L98.8Very high98.1Very high0 Ų017.8 Ų17.80%011%0.108CC..EExtended strand (participates in β ladder)trans-97.2111.5165.8-171.2157.4000107.5E349 Y352 Y359 I361 L392 V393E349-L379 HydrophobicContact CG-CD1 4.2Å; Y352-L379 HydrophobicContact CD2-CD1 3.62Å; Y352-L379 HydrophobicContact CD2-CD2 4.02Å; Y352-L379 HydrophobicContact CD2-CG 4.48Å; Y352-L379 HydrophobicContact CE2-CD1 4.31Å; Y352-L379 HydrophobicContact CE2-CD2 4.39Å; Y352-L379 HydrophobicContact CG-CD1 4.21Å; Y352-L379 HydrophobicContact CG-CD2 4.14Å; Y359-L379 HydrophobicContact CD1-CD1 4.17Å; Y359-L379 HydrophobicContact CD1-CD2 4.33Å; Y359-L379 HydrophobicContact CD1-CG 4.42Å; Y359-L379 HydrophobicContact CD2-CD1 3.76Å; Y359-L379 HydrophobicContact CD2-CD2 4.14Å; Y359-L379 HydrophobicContact CD2-CG 3.57Å; Y359-L379 HydrophobicContact CE1-CD1 4.32Å; Y359-L379 HydrophobicContact CE2-CD1 3.94Å; Y359-L379 HydrophobicContact CE2-CG 4.22Å; Y359-L379 HydrophobicContact CG-CD1 3.92Å; Y359-L379 HydrophobicContact CG-CD2 3.75Å; Y359-L379 HydrophobicContact CG-CG 3.72Å; I361-L379 HydrophobicContact CD1-CB 3.8Å; I361-L379 HydrophobicContact CD1-CD1 3.94Å; I361-L379 HydrophobicContact CD1-CG 3.84Å; L379-L392 PolarHBondContact O-N 3.02Å; L379-V393 HydrophobicContact CB-CB 3.74Å; L379-V393 HydrophobicContact CB-CG2 4.05Å; L379-V393 PolarHBondContact N-O 3.09Å; L379-V393 PolarHBondContact O-N 3.23Å
380E98.8Very high98.1Very high24 Ų2421.2 Ų21.211%0.11212%0.121CC..EExtended strand (participates in β ladder)trans-103.3113.7176.1-57.7177.917900109.1Y359 R360 V362 F389 R390Y359-E380 CarbonylContact C-O 3.58Å; Y359-E380 VanDerWaalsContact CA-O 3.24Å; Y359-E380 WeakPolarHBondContact CA-O 3.43Å; Y359-E380 WeakPolarHBondContact CB-O 3.41Å; R360-E380 HydrophobicContact CG-CB 4.04Å; R360-E380 IonicContact CZ-OE2 2.7Å; R360-E380 PolarHBondContact N-O 2.87Å; R360-E380 IonicContact NE-OE2 3.48Å; R360-E380 PolarHBondContact NE-OE2 3.33Å; R360-E380 IonicContact NH2-OE2 3.28Å; R360-E380 PolarHBondContact NH2-OE2 2.86Å; R360-E380 PolarHBondContact O-N 3.38Å; V362-E380 HydrophobicContact CG2-CG 4.17Å; E380-F389 HydrophobicContact CB-CB 4.03Å; E380-F389 HydrophobicContact CB-CD1 4.37Å; E380-F389 WeakPolarHBondContact O-CD1 3.31Å; E380-R390 CarbonylContact C-O 3.57Å; E380-R390 WeakPolarHBondContact CA-O 3.48Å
381A98.8Very high98.2Very high0 Ų022.1 Ų22.10%012%0.123CC..EExtended strand (participates in β ladder)trans-78.9149.2177.300000110.8I357 P358 F383 F389 R390 L392I357-A381 HydrophobicContact CG2-CB 3.67Å; P358-A381 CarbonylContact O-C 3.48Å; P358-A381 WeakPolarHBondContact O-CA 3.33Å; A381-F383 HydrophobicContact CB-CD2 4.38Å; A381-F383 HydrophobicContact CB-CE2 4Å; A381-F383 WeakPolarHBondContact O-CD2 3.48Å; A381-F389 CarbonylContact O-C 3.43Å; A381-F389 WeakPolarHBondContact O-CA 3.28Å; A381-R390 PolarHBondContact N-O 2.67Å; A381-R390 PolarHBondContact O-N 2.72Å; A381-L392 HydrophobicContact CB-CD1 3.34Å; A381-L392 HydrophobicContact CB-CG 3.76Å
382W98.8Very high98.3Very high24 Ų2421.6 Ų21.69%0.09112%0.12CC..EExtended strand (participates in β ladder)trans-81.2127.4171.8174-106.2000110.5C162 V164 P358 P384 G387 F389 N443C162-W382 HydrophobicContact CB-CB 3.99Å; C162-W382 HydrophobicContact CB-CD2 4.23Å; C162-W382 HydrophobicContact CB-CG 3.99Å; C162-W382 VanDerWaalsContact O-CD2 3.26Å; C162-W382 VanDerWaalsContact O-CE2 3.24Å; C162-W382 WeakPolarHBondContact O-CZ2 3.48Å; V164-W382 PolarHBondContact O-NE1 2.88Å; P358-W382 HydrophobicContact CB-CB 4.18Å; P358-W382 HydrophobicContact CG-CB 4.01Å; P358-W382 HydrophobicContact CG-CG 4.49Å; P358-W382 PolarHBondContact O-N 3.46Å; W382-P384 WeakPolarHBondContact O-CD 3.4Å; W382-G387 VanDerWaalsContact CH2-C 3.42Å; W382-G387 WeakPolarHBondContact CH2-O 3.33Å; W382-F389 HydrophobicContact CB-CD1 4.18Å; W382-F389 HydrophobicContact CB-CE1 3.89Å; W382-F389 HydrophobicContact CE3-CD1 4.37Å; W382-F389 HydrophobicContact CE3-CD2 4.01Å; W382-F389 HydrophobicContact CE3-CE1 4.32Å; W382-F389 AromaticContact CE3-CE2 3.94Å; W382-F389 HydrophobicContact CE3-CE2 3.94Å; W382-F389 HydrophobicContact CE3-CG 4.24Å; W382-F389 HydrophobicContact CE3-CZ 4.12Å; W382-F389 HydrophobicContact CZ3-CD2 4.34Å; W382-F389 HydrophobicContact CZ3-CE2 4.33Å; W382-N443 PolarHBondContact O-ND2 3.15Å; W382-N443 VanDerWaalsContact O-ND2 3.09Å
383F98.8Very high98.3Very high1 Ų121.6 Ų21.60%0.00412%0.121CC..EExtended strand (participates in β ladder)trans-108.398.4179.8-83.3-116.2000108.7F316 A381 G385 S386 G387 A388 R390 L392 C438 A439 E442F316-F383 HydrophobicContact CD2-CE1 4.25Å; F316-F383 HydrophobicContact CD2-CZ 4.23Å; F316-F383 HydrophobicContact CE2-CE1 4.27Å; F316-F383 AromaticContact CE2-CZ 3.86Å; F316-F383 HydrophobicContact CE2-CZ 3.86Å; A381-F383 HydrophobicContact CB-CD2 4.38Å; A381-F383 HydrophobicContact CB-CE2 4Å; A381-F383 WeakPolarHBondContact O-CD2 3.48Å; F383-G385 PolarHBondContact O-N 3.09Å; F383-S386 CarbonylContact O-C 3.59Å; F383-S386 PolarHBondContact O-N 2.88Å; F383-G387 WeakPolarHBondContact O-CA 3.29Å; F383-G387 PolarHBondContact O-N 2.88Å; F383-A388 WeakPolarHBondContact CB-O 3.4Å; F383-A388 PolarHBondContact N-O 3.21Å; F383-A388 PolarHBondContact O-N 2.92Å; F383-R390 HydrophobicContact CB-CG 4.48Å; F383-R390 HydrophobicContact CD1-CG 4.49Å; F383-R390 HydrophobicContact CD2-CB 3.61Å; F383-R390 HydrophobicContact CD2-CG 3.8Å; F383-R390 HydrophobicContact CE2-CB 3.52Å; F383-R390 HydrophobicContact CE2-CG 4.11Å; F383-R390 HydrophobicContact CG-CB 4.33Å; F383-R390 HydrophobicContact CG-CG 4.02Å; F383-R390 HydrophobicContact CZ-CB 4.15Å; F383-L392 HydrophobicContact CE2-CD2 4.14Å; F383-L392 HydrophobicContact CZ-CD2 4.06Å; F383-C438 HydrophobicContact CE1-CB 3.71Å; F383-C438 HydrophobicContact CZ-CB 4.33Å; F383-A439 HydrophobicContact CE1-CB 4.25Å; F383-A439 HydrophobicContact CE2-CB 3.88Å; F383-A439 HydrophobicContact CZ-CB 3.62Å; F383-E442 WeakPolarHBondContact CA-OE2 3.32Å; F383-E442 VanDerWaalsContact CB-OE2 3.29Å; F383-E442 WeakPolarHBondContact CB-OE2 3.29Å; F383-E442 HydrophobicContact CD1-CG 4.42Å
384P98.4Very high98.3Very high3 Ų322.6 Ų22.62%0.01913%0.127CC..THydrogen-bonded Turntrans-70.3-26.2-168.827.5-37.2000114.5V164 Q165 K166 W382 E442V164-P384 WeakPolarHBondContact O-CB 3.34Å; Q165-P384 CarbonylContact C-O 3.35Å; Q165-P384 VanDerWaalsContact CA-O 3.28Å; Q165-P384 WeakPolarHBondContact CA-O 3.18Å; K166-P384 HydrophobicContact CB-CB 4.05Å; K166-P384 HydrophobicContact CB-CG 4.27Å; K166-P384 HydrophobicContact CD-CB 4.35Å; K166-P384 HydrophobicContact CD-CG 4.04Å; K166-P384 HydrophobicContact CG-CB 3.96Å; K166-P384 HydrophobicContact CG-CG 4.18Å; K166-P384 PolarHBondContact N-O 3.05Å; W382-P384 WeakPolarHBondContact O-CD 3.4Å; P384-E442 HydrophobicContact CG-CB 3.98Å
385G97.5Very high98.3Very high24 Ų2422.3 Ų22.325%0.24713%0.125CC..THydrogen-bonded Turntrans-79.9-32.5173.600000112.6K166 Y168 F383 E442K166-G385 WeakPolarHBondContact O-CA 3.36Å; Y168-G385 WeakPolarHBondContact O-CA 3.48Å; F383-G385 PolarHBondContact O-N 3.09Å; G385-E442 VanDerWaalsContact CA-OE2 3.27Å; G385-E442 WeakPolarHBondContact CA-OE2 3.39Å; G385-E442 PolarHBondContact N-OE2 3.44Å
386S96.8Very high98.3Very high45 Ų4521.5 Ų21.532%0.31512%0.123SC..THydrogen-bonded Turntrans-82.7-20.4175-61.10000113.5F383 A388 E442F383-S386 CarbonylContact O-C 3.59Å; F383-S386 PolarHBondContact O-N 2.88Å; S386-A388 PolarHBondContact O-N 3.17Å; S386-E442 PolarHBondContact N-OE2 3.24Å; S386-E442 PolarHBondContact OG-OE1 3.13Å
387G97.3Very high98.3Very high33 Ų3320 Ų2034%0.3412%0.116SC..THydrogen-bonded Turntrans66.730.2-178.200000114.3W382 F383W382-G387 VanDerWaalsContact CH2-C 3.42Å; W382-G387 WeakPolarHBondContact CH2-O 3.33Å; F383-G387 WeakPolarHBondContact O-CA 3.29Å; F383-G387 PolarHBondContact O-N 2.88Å
388A96.9Very high98.3Very high23 Ų2319.8 Ų19.819%0.1912%0.115CC..EExtended strand (participates in β ladder)trans-147.1158.6-174.200000113.1F383 S386F383-A388 WeakPolarHBondContact CB-O 3.4Å; F383-A388 PolarHBondContact N-O 3.21Å; F383-A388 PolarHBondContact O-N 2.92Å; S386-A388 PolarHBondContact O-N 3.17Å
389F98.1Very high98.3Very high47 Ų4720.1 Ų20.121%0.20612%0.117CC..EExtended strand (participates in β ladder)trans-78.3141.9164.6-73.4-77.2000110.9C162 R360 E380 A381 W382C162-F389 HydrophobicContact CB-CE1 3.94Å; C162-F389 HydrophobicContact CB-CE2 4.44Å; C162-F389 HydrophobicContact CB-CZ 3.47Å; C162-F389 VanDerWaalsContact CB-CZ 3.47Å; R360-F389 HydrophobicContact CB-CD1 4.48Å; R360-F389 HydrophobicContact CB-CE1 4.02Å; R360-F389 HydrophobicContact CB-CZ 4.37Å; R360-F389 HydrophobicContact CG-CD1 3.7Å; R360-F389 HydrophobicContact CG-CE1 3.71Å; R360-F389 HydrophobicContact CG-CG 4.15Å; R360-F389 HydrophobicContact CG-CZ 4.17Å; E380-F389 HydrophobicContact CB-CB 4.03Å; E380-F389 HydrophobicContact CB-CD1 4.37Å; E380-F389 WeakPolarHBondContact O-CD1 3.31Å; A381-F389 CarbonylContact O-C 3.43Å; A381-F389 WeakPolarHBondContact O-CA 3.28Å; W382-F389 HydrophobicContact CB-CD1 4.18Å; W382-F389 HydrophobicContact CB-CE1 3.89Å; W382-F389 HydrophobicContact CE3-CD1 4.37Å; W382-F389 HydrophobicContact CE3-CD2 4.01Å; W382-F389 HydrophobicContact CE3-CE1 4.32Å; W382-F389 AromaticContact CE3-CE2 3.94Å; W382-F389 HydrophobicContact CE3-CE2 3.94Å; W382-F389 HydrophobicContact CE3-CG 4.24Å; W382-F389 HydrophobicContact CE3-CZ 4.12Å; W382-F389 HydrophobicContact CZ3-CD2 4.34Å; W382-F389 HydrophobicContact CZ3-CE2 4.33Å
390R97.8Very high98.3Very high79 Ų7921.7 Ų21.730%0.29813%0.126SC..EExtended strand (participates in β ladder)trans-140.9130.1-179.7-66-66.9-173.9-118.93.9110.4F316 E380 A381 F383 L392F316-R390 HydrophobicContact CE2-CB 3.85Å; F316-R390 HydrophobicContact CE2-CG 4.28Å; F316-R390 HydrophobicContact CZ-CB 3.68Å; F316-R390 HydrophobicContact CZ-CG 4.12Å; E380-R390 CarbonylContact C-O 3.57Å; E380-R390 WeakPolarHBondContact CA-O 3.48Å; A381-R390 PolarHBondContact N-O 2.67Å; A381-R390 PolarHBondContact O-N 2.72Å; F383-R390 HydrophobicContact CB-CG 4.48Å; F383-R390 HydrophobicContact CD1-CG 4.49Å; F383-R390 HydrophobicContact CD2-CB 3.61Å; F383-R390 HydrophobicContact CD2-CG 3.8Å; F383-R390 HydrophobicContact CE2-CB 3.52Å; F383-R390 HydrophobicContact CE2-CG 4.11Å; F383-R390 HydrophobicContact CG-CB 4.33Å; F383-R390 HydrophobicContact CG-CG 4.02Å; F383-R390 HydrophobicContact CZ-CB 4.15Å; R390-L392 PolarHBondContact O-N 3.32Å
391E98Very high98.3Very high76 Ų7620.6 Ų20.636%0.35512%0.12SC..EExtended strand (participates in β ladder)trans-60.9123.5179.4-174.2-151.3155.200111.9D378 R435D378-E391 HydrophobicContact CB-CG 4.38Å; E391-R435 WeakPolarHBondContact O-CD 3.41Å; E391-R435 PolarHBondContact O-NH1 3.49Å; E391-R435 IonicContact OE2-NH1 3.86Å
392L98.6Very high98.2Very high4 Ų420.7 Ų20.72%0.02112%0.121CC..EExtended strand (participates in β ladder)trans-114-27.1171.5-60.9-168.3000113.1F316 Y352 L379 A381 F383 R390 R435 V436 A439F316-L392 HydrophobicContact CE2-CD2 4.42Å; Y352-L392 HydrophobicContact CD1-CD1 4.1Å; Y352-L392 HydrophobicContact CE1-CB 4.13Å; Y352-L392 HydrophobicContact CE1-CD1 3.46Å; Y352-L392 VanDerWaalsContact CE1-CD1 3.46Å; Y352-L392 HydrophobicContact CE1-CG 4.46Å; L379-L392 PolarHBondContact O-N 3.02Å; A381-L392 HydrophobicContact CB-CD1 3.34Å; A381-L392 HydrophobicContact CB-CG 3.76Å; F383-L392 HydrophobicContact CE2-CD2 4.14Å; F383-L392 HydrophobicContact CZ-CD2 4.06Å; R390-L392 PolarHBondContact O-N 3.32Å; L392-R435 HydrophobicContact CD2-CB 3.53Å; L392-V436 HydrophobicContact CD1-CG2 4.43Å; L392-A439 HydrophobicContact CD1-CB 3.86Å
393V98.8Very high98.2Very high1 Ų119.5 Ų19.51%0.00612%0.117CC..EExtended strand (participates in β ladder)trans-133.5142.9179.5177.70000109.5I345 A348 Y352 D378 L379 T429I345-V393 HydrophobicContact CD1-CG1 4.49Å; A348-V393 HydrophobicContact CB-CG1 4.15Å; A348-V393 HydrophobicContact CB-CG2 4.25Å; Y352-V393 HydrophobicContact CD2-CG2 4.25Å; Y352-V393 HydrophobicContact CE2-CG2 3.28Å; D378-V393 CarbonylContact C-O 3.55Å; D378-V393 WeakPolarHBondContact CA-O 3.43Å; D378-V393 WeakPolarHBondContact CB-O 3.44Å; L379-V393 HydrophobicContact CB-CB 3.74Å; L379-V393 HydrophobicContact CB-CG2 4.05Å; L379-V393 PolarHBondContact N-O 3.09Å; L379-V393 PolarHBondContact O-N 3.23Å; V393-T429 WeakPolarHBondContact CG1-O 3.47Å; V393-T429 WeakPolarHBondContact CG2-O 3.44Å
394S98.3Very high98.1Very high20 Ų2021.6 Ų21.614%0.1412%0.124CC..EExtended strand (participates in β ladder)trans-123.3135.1158.6157.30000108.2K376 D378 A428 T429K376-S394 WeakPolarHBondContact CD-OG 3.36Å; D378-S394 WeakPolarHBondContact OD1-CA 3.32Å; D378-S394 VanDerWaalsContact OD1-CB 3.29Å; D378-S394 WeakPolarHBondContact OD1-CB 3.42Å; S394-A428 CarbonylContact O-C 3.59Å; S394-A428 VanDerWaalsContact O-CA 3.23Å; S394-A428 WeakPolarHBondContact O-CA 3.29Å; S394-T429 PolarHBondContact O-N 3.35Å
395C98.9Very high98Very high0 Ų024 Ų240%013%0.133CC..EExtended strand (participates in β ladder)trans-124.6122.1176.6-179.60000108.8F341 I345 K376 L377 N427 A428F341-C395 VanDerWaalsContact CE2-O 3.27Å; F341-C395 WeakPolarHBondContact CE2-O 3.38Å; I345-C395 HydrophobicContact CB-CB 4.33Å; I345-C395 HydrophobicContact CD1-CB 3.96Å; K376-C395 CarbonylContact C-O 3.56Å; K376-C395 VanDerWaalsContact CA-O 3.27Å; K376-C395 WeakPolarHBondContact CA-O 3.34Å; L377-C395 PolarHBondContact N-O 2.99Å; L377-C395 PolarHBondContact O-N 3.01Å; C395-N427 CarbonylContact C-O 3.52Å; C395-N427 WeakPolarHBondContact CA-O 3.42Å; C395-A428 HydrophobicContact CB-CB 3.7Å
396S98.8Very high98Very high5 Ų522.8 Ų22.84%0.03512%0.121CC..EExtended strand (participates in β ladder)trans-127.1137.6-175-63.20000112K375 K376 L426 N427K375-S396 WeakPolarHBondContact O-CA 3.37Å; K376-S396 WeakPolarHBondContact CG-OG 3.35Å; S396-L426 WeakPolarHBondContact O-CA 3.48Å; S396-N427 PolarHBondContact N-O 3.01Å; S396-N427 PolarHBondContact O-N 3.16Å; S396-N427 VanDerWaalsContact O-N 3.12Å
397N98.9Very high98.1Very high0 Ų025 Ų250%012%0.122CC..EExtended strand (participates in β ladder)trans-100114163.4-171.6-12.2000108.6S337 W338 F341 S374 K375 T399 L426S337-N397 PolarHBondContact O-ND2 2.72Å; S337-N397 PolarHBondContact OG-ND2 3.37Å; W338-N397 VanDerWaalsContact CD2-ND2 3.3Å; W338-N397 HydrophobicContact CE3-CB 4.16Å; W338-N397 HydrophobicContact CH2-CB 3.87Å; W338-N397 HydrophobicContact CZ3-CB 3.57Å; W338-N397 WeakPolarHBondContact CZ3-ND2 3.29Å; F341-N397 HydrophobicContact CB-CB 4.39Å; F341-N397 HydrophobicContact CD2-CB 3.68Å; F341-N397 HydrophobicContact CE2-CB 4.23Å; F341-N397 HydrophobicContact CG-CB 4.24Å; S374-N397 WeakPolarHBondContact CB-O 3.38Å; S374-N397 PolarHBondContact N-O 3.1Å; K375-N397 PolarHBondContact O-N 2.82Å; N397-T399 PolarHBondContact OD1-N 2.85Å; N397-L426 HydrophobicContact CB-CD2 3.81Å; N397-L426 HydrophobicContact CB-CG 4.29Å
398C98.8Very high98.1Very high0 Ų023.4 Ų23.40%011%0.106CC..  trans-96.13.5-178.4-620000112.9N137 A372 D400 Y401 Q402 M425N137-C398 PolarHBondContact ND2-O 3.48Å; N137-C398 VanDerWaalsContact ND2-O 3.08Å; A372-C398 HydrophobicContact CB-CB 4.29Å; A372-C398 WeakPolarHBondContact O-CA 3.16Å; C398-D400 PolarHBondContact O-N 3.38Å; C398-Y401 WeakPolarHBondContact O-CB 3.35Å; C398-Y401 PolarHBondContact O-N 3.24Å; C398-Y401 VanDerWaalsContact O-N 3.08Å; C398-Q402 HydrophobicContact CB-CG 4.24Å; C398-Q402 VanDerWaalsContact CB-OE1 3.3Å; C398-Q402 PolarHBondContact SG-OE1 3.47Å; C398-M425 WeakPolarHBondContact CA-O 3.44Å; C398-M425 WeakPolarHBondContact CB-O 3.5Å; C398-M425 PolarHBondContact N-O 2.88Å
399T98.8Very high98.1Very high14 Ų1424.7 Ų24.79%0.08611%0.106CC..THydrogen-bonded Turntrans44.3-139-173.967.10000110.8N137 W338 N397 Y401 H424 M425N137-T399 PolarHBondContact ND2-OG1 3.31Å; N137-T399 PolarHBondContact OD1-OG1 2.66Å; W338-T399 HydrophobicContact CZ2-CG2 4.26Å; N397-T399 PolarHBondContact OD1-N 2.85Å; T399-Y401 VanDerWaalsContact C-N 3.31Å; T399-H424 CarbonylContact O-C 3.6Å; T399-H424 VanDerWaalsContact O-CA 3.31Å; T399-H424 WeakPolarHBondContact O-CA 3.43Å; T399-M425 PolarHBondContact O-N 3.48Å
400D98.4Very high98.1Very high32 Ų3223.6 Ų23.617%0.17110%0.101CC..THydrogen-bonded Turntrans-80.9-0.5176.764.8-26.2000114.6C398 Q402 A403 R404 F422 H424C398-D400 PolarHBondContact O-N 3.38Å; D400-Q402 PolarHBondContact O-N 2.87Å; D400-A403 PolarHBondContact O-N 2.81Å; D400-R404 VanDerWaalsContact O-CB 3.27Å; D400-R404 WeakPolarHBondContact O-CB 3.34Å; D400-R404 PolarHBondContact O-N 3.05Å; D400-R404 IonicContact OD2-CZ 2.78Å; D400-R404 IonicContact OD2-NE 3.12Å; D400-R404 IonicContact OD2-NH2 3.26Å; D400-R404 PolarHBondContact OD2-NH2 3.17Å; D400-F422 HydrophobicContact CB-CB 4.07Å; D400-H424 PolarHBondContact N-CD2 3.49Å
401Y98.4Very high97.7Very high1 Ų120.5 Ų20.50%0.0049%0.093CC..Hα-helixtrans-61.8-42-170.2-170-96.9000113.1M1 V2 L3 I135 N137 H371 A372 C398 T399M1-Y401 VanDerWaalsContact C-CE1 3.44Å; M1-Y401 HydrophobicContact CB-CD1 3.37Å; M1-Y401 HydrophobicContact CB-CE1 3.2Å; M1-Y401 HydrophobicContact CG-CD1 4.46Å; M1-Y401 HydrophobicContact CG-CE1 4.45Å; M1-Y401 PolarHBondContact O-OH 3.49Å; V2-Y401 VanDerWaalsContact C-CD2 3.47Å; V2-Y401 VanDerWaalsContact C-CE2 3.41Å; V2-Y401 PolarHBondContact N-O 2.9Å; V2-Y401 VanDerWaalsContact N-O 3.13Å; L3-Y401 HydrophobicContact CD2-CD2 4.15Å; L3-Y401 HydrophobicContact CD2-CE2 4.5Å; L3-Y401 HydrophobicContact CG-CD2 4.14Å; L3-Y401 HydrophobicContact CG-CE2 4.01Å; I135-Y401 PolarHBondContact O-OH 3.35Å; N137-Y401 HydrophobicContact CB-CD2 3.76Å; N137-Y401 HydrophobicContact CB-CE2 4.31Å; N137-Y401 HydrophobicContact CB-CG 4.05Å; H371-Y401 HydrophobicContact CB-CE1 4.26Å; A372-Y401 VanDerWaalsContact CA-CD1 3.47Å; A372-Y401 HydrophobicContact CB-CD1 3.85Å; A372-Y401 HydrophobicContact CB-CE1 4.27Å; C398-Y401 WeakPolarHBondContact O-CB 3.35Å; C398-Y401 PolarHBondContact O-N 3.24Å; C398-Y401 VanDerWaalsContact O-N 3.08Å; T399-Y401 VanDerWaalsContact C-N 3.31Å
402Q97.9Very high96.9Very high2 Ų218.9 Ų18.91%0.0099%0.086CC..Hα-helixtrans-74.9-46.9173.5-70.8175-53.200110.9M1 E273 A372 C398 D400 R404 R405 L406 M425M1-Q402 HydrophobicContact CG-CG 3.93Å; M1-Q402 HydrophobicContact SD-CG 3.76Å; E273-Q402 PolarHBondContact OE1-NE2 2.96Å; A372-Q402 HydrophobicContact CB-CG 4.34Å; C398-Q402 HydrophobicContact CB-CG 4.24Å; C398-Q402 VanDerWaalsContact CB-OE1 3.3Å; C398-Q402 PolarHBondContact SG-OE1 3.47Å; D400-Q402 PolarHBondContact O-N 2.87Å; Q402-R404 VanDerWaalsContact C-N 3.29Å; Q402-R404 PolarHBondContact O-N 3.23Å; Q402-R405 PolarHBondContact O-N 2.97Å; Q402-R405 VanDerWaalsContact O-N 3.13Å; Q402-L406 PolarHBondContact O-N 3.35Å; Q402-M425 HydrophobicContact CB-CE 3.89Å; Q402-M425 HydrophobicContact CB-SD 3.75Å
403A98.4Very high95.9Very high0 Ų025.3 Ų25.30%013%0.126CC..Hα-helixtrans-58.3-39.6-17600000112.4D400 L406 R407 I408 F422 V423 M425D400-A403 PolarHBondContact O-N 2.81Å; A403-L406 CarbonylContact O-C 3.5Å; A403-L406 PolarHBondContact O-N 2.9Å; A403-R407 CarbonylContact O-C 3.51Å; A403-R407 WeakPolarHBondContact O-CA 3.36Å; A403-R407 PolarHBondContact O-N 3.38Å; A403-I408 HydrophobicContact CB-CB 4.31Å; A403-I408 PolarHBondContact O-N 2.81Å; A403-F422 HydrophobicContact CB-CB 3.88Å; A403-V423 HydrophobicContact CB-CG2 4.03Å; A403-V423 WeakPolarHBondContact CB-O 3.22Å; A403-M425 WeakPolarHBondContact CA-SD 3.31Å; A403-M425 HydrophobicContact CB-CG 4.25Å; A403-M425 HydrophobicContact CB-SD 3.56Å; A403-M425 VanDerWaalsContact CB-SD 3.56Å; A403-M425 PolarHBondContact N-SD 2.97Å
404R97.4Very high94.6Very high45 Ų4534.5 Ų34.517%0.1717%0.166CC..Hα-helixtrans-61.8-44.8177.6-173.8176.4-60-90.3-0.5112.4V2 L3 D4 D400 Q402 R407 F422V2-R404 HydrophobicContact CG2-CG 4.46Å; L3-R404 WeakPolarHBondContact O-CD 3.45Å; D4-R404 IonicContact OD1-NH1 3.58Å; D4-R404 IonicContact OD2-CZ 2.7Å; D4-R404 IonicContact OD2-NH1 2.75Å; D4-R404 PolarHBondContact OD2-NH1 3.07Å; D4-R404 IonicContact OD2-NH2 3.63Å; D4-R404 PolarHBondContact OD2-NH2 3.19Å; D400-R404 VanDerWaalsContact O-CB 3.27Å; D400-R404 WeakPolarHBondContact O-CB 3.34Å; D400-R404 PolarHBondContact O-N 3.05Å; D400-R404 IonicContact OD2-CZ 2.78Å; D400-R404 IonicContact OD2-NE 3.12Å; D400-R404 IonicContact OD2-NH2 3.26Å; D400-R404 PolarHBondContact OD2-NH2 3.17Å; Q402-R404 VanDerWaalsContact C-N 3.29Å; Q402-R404 PolarHBondContact O-N 3.23Å; R404-R407 PolarHBondContact O-N 3.38Å; R404-F422 HydrophobicContact CB-CD2 4.2Å; R404-F422 HydrophobicContact CB-CE2 4.36Å; R404-F422 HydrophobicContact CB-CG 4.31Å; R404-F422 HydrophobicContact CG-CD2 4.25Å; R404-F422 HydrophobicContact CG-CE2 3.96Å; R404-F422 HydrophobicContact CG-CZ 4.23Å
405R96.1Very high93.4Very high52 Ų5240.7 Ų40.720%0.19619%0.19CC..Hα-helixtrans-67.6-40.3178.4-178.569.2178.174.32.1112M1 V2 E236 Q402M1-R405 VanDerWaalsContact CA-CB 3.42Å; M1-R405 VanDerWaalsContact N-CG 3.27Å; V2-R405 HydrophobicContact CG2-CB 4.48Å; E236-R405 HydrophobicContact CB-CG 3.92Å; E236-R405 WeakPolarHBondContact O-CG 3.49Å; E236-R405 IonicContact OE1-CZ 3.68Å; E236-R405 IonicContact OE1-NH1 3.89Å; E236-R405 PolarHBondContact OE1-NH1 3.4Å; E236-R405 IonicContact OE1-NH2 2.72Å; E236-R405 IonicContact OE2-NH1 3.6Å; Q402-R405 PolarHBondContact O-N 2.97Å; Q402-R405 VanDerWaalsContact O-N 3.13Å
406L97.7Very high92.3Very high0 Ų050.3 Ų50.30%024%0.237CC..Hα-helixtrans-81-5.8178.9-71.4165000113E236 V237 A277 A278 R281 E282 Q402 A403 I408 M425E236-L406 HydrophobicContact CB-CD2 3.82Å; E236-L406 HydrophobicContact CB-CG 4.46Å; E236-L406 WeakPolarHBondContact OE2-CD2 3.31Å; V237-L406 HydrophobicContact CG1-CD1 3.87Å; V237-L406 HydrophobicContact CG1-CD2 3.92Å; V237-L406 HydrophobicContact CG1-CG 4.24Å; A277-L406 HydrophobicContact CB-CD1 3.97Å; A277-L406 VanDerWaalsContact O-CD1 3.31Å; A277-L406 WeakPolarHBondContact O-CD1 3.49Å; A278-L406 HydrophobicContact CB-CD2 4.16Å; R281-L406 HydrophobicContact CB-CD2 4.28Å; R281-L406 HydrophobicContact CG-CD2 4.12Å; E282-L406 PolarHBondContact N-O 2.76Å; Q402-L406 PolarHBondContact O-N 3.35Å; A403-L406 CarbonylContact O-C 3.5Å; A403-L406 PolarHBondContact O-N 2.9Å; L406-I408 HydrophobicContact CB-CD1 3.84Å; L406-I408 HydrophobicContact CB-CG1 3.7Å; L406-I408 HydrophobicContact CD1-CD1 4.08Å; L406-I408 PolarHBondContact O-N 2.95Å; L406-M425 HydrophobicContact CD1-CE 3.84Å
407R97.6Very high91.2Very high91 Ų9153.3 Ų53.334%0.34325%0.252SS..THydrogen-bonded Turntrans58.339.7-178.2-64.1174.2-78.1156-2.4113.9E282 A403 R404 R409E282-R407 CarbonylContact C-O 3.56Å; E282-R407 WeakPolarHBondContact CA-O 3.21Å; E282-R407 VanDerWaalsContact CD-CZ 3.44Å; E282-R407 HydrophobicContact CG-CB 4.36Å; E282-R407 IonicContact OE1-CZ 2.87Å; E282-R407 VanDerWaalsContact OE1-CZ 3.29Å; E282-R407 IonicContact OE1-NH1 2.83Å; E282-R407 PolarHBondContact OE1-NH1 3.41Å; E282-R407 IonicContact OE1-NH2 3.54Å; E282-R407 PolarHBondContact OE1-NH2 3.42Å; E282-R407 IonicContact OE2-CZ 3.83Å; E282-R407 IonicContact OE2-NH1 3.87Å; E282-R407 IonicContact OE2-NH2 3.02Å; A403-R407 CarbonylContact O-C 3.51Å; A403-R407 WeakPolarHBondContact O-CA 3.36Å; A403-R407 PolarHBondContact O-N 3.38Å; R404-R407 PolarHBondContact O-N 3.38Å; R407-R409 PolarHBondContact O-NH1 3.27Å
408I98.3Very high90.2Very high0 Ų061.6 Ų61.60%030%0.296CS..  trans-91.7101.8179.2-46.2-175.8000109.4A277 L280 L285 Y329 A403 L406 F422 V423 M425A277-I408 WeakPolarHBondContact O-CD1 3.26Å; L280-I408 HydrophobicContact CB-CD1 4.33Å; L280-I408 HydrophobicContact CB-CG2 4.42Å; L280-I408 WeakPolarHBondContact O-CG1 3.46Å; L285-I408 HydrophobicContact CD1-CG2 3.67Å; L285-I408 HydrophobicContact CG-CG2 3.88Å; Y329-I408 HydrophobicContact CE1-CD1 3.75Å; Y329-I408 HydrophobicContact CE1-CG2 4.43Å; A403-I408 HydrophobicContact CB-CB 4.31Å; A403-I408 PolarHBondContact O-N 2.81Å; L406-I408 HydrophobicContact CB-CD1 3.84Å; L406-I408 HydrophobicContact CB-CG1 3.7Å; L406-I408 HydrophobicContact CD1-CD1 4.08Å; L406-I408 PolarHBondContact O-N 2.95Å; I408-F422 WeakPolarHBondContact O-CA 3.45Å; I408-F422 WeakPolarHBondContact O-CD1 3.33Å; I408-V423 HydrophobicContact CB-CG2 4.15Å; I408-V423 HydrophobicContact CG2-CG2 3.7Å; I408-V423 PolarHBondContact O-N 3.38Å; I408-M425 HydrophobicContact CD1-CE 4.24Å; I408-M425 HydrophobicContact CD1-SD 4.14Å
409R97.5Very high89.4Confident49 Ų4966.6 Ų66.619%0.18532%0.317CS..EExtended strand (participates in β ladder)trans-97.3150.4-165.6-64.3169.2-166.793.1-9.3111.9E282 E283 W284 L285 R407 G411 A420 E421 F422E282-R409 PolarHBondContact O-NH1 3.23Å; E283-R409 PolarHBondContact O-N 3.5Å; W284-R409 HydrophobicContact CD2-CB 3.74Å; W284-R409 HydrophobicContact CD2-CG 4.37Å; W284-R409 HydrophobicContact CE3-CB 3.52Å; W284-R409 HydrophobicContact CE3-CG 4.38Å; W284-R409 HydrophobicContact CG-CB 4.26Å; W284-R409 HydrophobicContact CH2-CB 4.47Å; W284-R409 HydrophobicContact CZ3-CB 3.92Å; W284-R409 HydrophobicContact CZ3-CG 4.49Å; L285-R409 PolarHBondContact N-O 2.95Å; R407-R409 PolarHBondContact O-NH1 3.27Å; R409-G411 PolarHBondContact O-N 3.28Å; R409-A420 HydrophobicContact CG-CB 4.19Å; R409-E421 CarbonylContact C-O 3.59Å; R409-E421 WeakPolarHBondContact CA-O 3.44Å; R409-F422 HydrophobicContact CG-CD1 3.92Å; R409-F422 HydrophobicContact CG-CE1 3.7Å
410Y97.4Very high89Confident24 Ų2467.7 Ų67.79%0.09433%0.328CS..EExtended strand (participates in β ladder)trans-82.5100.4169.1-178.5-104.1000109.3P287 L290 P332 H333 Q412 E421 V423P287-Y410 HydrophobicContact CB-CE2 3.99Å; P287-Y410 WeakPolarHBondContact CB-OH 3.18Å; P287-Y410 HydrophobicContact CG-CE1 4.2Å; P287-Y410 HydrophobicContact CG-CE2 3.89Å; P287-Y410 WeakPolarHBondContact CG-OH 3.42Å; L290-Y410 HydrophobicContact CD1-CD2 3.7Å; L290-Y410 HydrophobicContact CD1-CE2 3.81Å; P332-Y410 HydrophobicContact CG-CD1 4.47Å; P332-Y410 HydrophobicContact CG-CD2 4.31Å; P332-Y410 HydrophobicContact CG-CG 4.1Å; H333-Y410 AromaticContact CE1-CD1 3.91Å; H333-Y410 AromaticContact CE1-CE1 3.48Å; H333-Y410 VanDerWaalsContact CE1-CE1 3.48Å; H333-Y410 WeakPolarHBondContact CE1-CE1 3.3Å; H333-Y410 AromaticContact ND1-CE1 3.74Å; H333-Y410 AromaticContact ND1-CZ 3.92Å; Y410-Q412 HydrophobicContact CD1-CB 4.16Å; Y410-Q412 HydrophobicContact CD1-CG 4.15Å; Y410-Q412 HydrophobicContact CE1-CB 3.77Å; Y410-Q412 HydrophobicContact CE1-CG 4.06Å; Y410-Q412 PolarHBondContact O-N 2.97Å; Y410-E421 PolarHBondContact N-O 2.83Å; Y410-V423 HydrophobicContact CD2-CG1 4.37Å
411G89.1Confident88.8Confident14 Ų1469 Ų6914%0.14433%0.333CS..  trans-82.865.8-171.800000114.4L285 P287 R409L285-G411 WeakPolarHBondContact O-CA 3.48Å; L285-G411 PolarHBondContact O-N 2.69Å; P287-G411 WeakPolarHBondContact CD-O 3.32Å; R409-G411 PolarHBondContact O-N 3.28Å
412Q81.7Confident88.7Confident42 Ų4270.2 Ų70.220%0.19634%0.339CS..  trans-79.3133.5173.463.5168.416.600113P287 Y410 M417P287-Q412 HydrophobicContact CG-CB 4.24Å; Y410-Q412 HydrophobicContact CD1-CB 4.16Å; Y410-Q412 HydrophobicContact CD1-CG 4.15Å; Y410-Q412 HydrophobicContact CE1-CB 3.77Å; Y410-Q412 HydrophobicContact CE1-CG 4.06Å; Y410-Q412 PolarHBondContact O-N 2.97Å; Q412-M417 HydrophobicContact CG-CE 3.73Å; Q412-M417 PolarHBondContact NE2-SD 3.49Å
413T76.5Confident88.8Confident140 Ų14070.1 Ų70.186%0.85934%0.338SS*.SBendtrans-95.8-8.3177.553.50000113.5
414K71.1Confident88.8Confident194 Ų19471.4 Ų71.484%0.84334%0.344SS*.SBendtrans-83.8-20.3-169.3-66.6-178.5-179.9174.20114.5
415K74.3Confident88.9Confident150 Ų15069.2 Ų69.265%0.65234%0.336SS*.SBendtrans-138.6131-179.2-64.5-179.8-179174.90109.4M417K415-M417 HydrophobicContact CB-CG 4.33Å; K415-M417 PolarHBondContact O-N 3.05Å
416M75.6Confident89Confident201 Ų20166.8 Ų66.899%0.9933%0.326SS*.  trans-71.6115.9164.3-154.6-175.7-164.800106.7
417M75.9Confident89Confident69 Ų6967.1 Ų67.134%0.3433%0.328SS..  trans-107.4141.8178.9-68.6-160-71.100110.3Q412 K415 K419 E421Q412-M417 HydrophobicContact CG-CE 3.73Å; Q412-M417 PolarHBondContact NE2-SD 3.49Å; K415-M417 HydrophobicContact CB-CG 4.33Å; K415-M417 PolarHBondContact O-N 3.05Å; M417-K419 VanDerWaalsContact CB-O 3.29Å; M417-K419 WeakPolarHBondContact CB-O 3.36Å; M417-K419 PolarHBondContact O-N 2.75Å; M417-E421 HydrophobicContact CE-CB 4.17Å; M417-E421 HydrophobicContact CE-CG 3.7Å; M417-E421 WeakPolarHBondContact CE-OE2 3.38Å; M417-E421 HydrophobicContact SD-CG 4.18Å
418D76.6Confident89.1Confident173 Ų17362.8 Ų62.893%0.92531%0.312SS*.SBendtrans-64.3-21.9176.1-62-29.6000112
419K83.6Confident89.1Confident105 Ų10563.5 Ų63.546%0.45732%0.316SS..SBendtrans-138.2146.7176-65.7179.1-166.8161.20111.5D6 M417 E421D6-K419 WeakPolarHBondContact OD2-CE 3.46Å; D6-K419 IonicContact OD2-NZ 2.57Å; D6-K419 PolarHBondContact OD2-NZ 2.94Å; M417-K419 VanDerWaalsContact CB-O 3.29Å; M417-K419 WeakPolarHBondContact CB-O 3.36Å; M417-K419 PolarHBondContact O-N 2.75Å; K419-E421 PolarHBondContact O-N 2.77Å
420A88.6Confident89.2Confident37 Ų3761.1 Ų61.131%0.30631%0.307SS..  trans-70.5128.4168.900000109.8W284 R409W284-A420 HydrophobicContact CH2-CB 3.88Å; W284-A420 HydrophobicContact CZ3-CB 4.22Å; R409-A420 HydrophobicContact CG-CB 4.19Å
421E94.2Very high89.2Confident60 Ų6060 Ų6028%0.2830%0.303SS..  trans-81.7155.7165.7-67.9-179.8116.600109.6H333 R409 Y410 M417 K419H333-E421 IonicContact CD2-OE1 3.78Å; H333-E421 IonicContact CE1-OE1 3.84Å; H333-E421 IonicContact CE1-OE2 3.17Å; H333-E421 PolarHBondContact CE1-OE2 3.28Å; H333-E421 IonicContact NE2-OE1 2.85Å; H333-E421 PolarHBondContact NE2-OE1 2.65Å; H333-E421 IonicContact NE2-OE2 2.99Å; H333-E421 PolarHBondContact NE2-OE2 3.43Å; R409-E421 CarbonylContact C-O 3.59Å; R409-E421 WeakPolarHBondContact CA-O 3.44Å; Y410-E421 PolarHBondContact N-O 2.83Å; M417-E421 HydrophobicContact CE-CB 4.17Å; M417-E421 HydrophobicContact CE-CG 3.7Å; M417-E421 WeakPolarHBondContact CE-OE2 3.38Å; M417-E421 HydrophobicContact SD-CG 4.18Å; K419-E421 PolarHBondContact O-N 2.77Å
422F97.9Very high89.7Confident27 Ų2759.7 Ų59.712%0.11830%0.299CS..BIsolated β-bridgetrans-113.4150.3178.2-61.2-85.8000109.5P332 D400 A403 R404 I408 R409P332-F422 WeakPolarHBondContact CB-O 3.49Å; P332-F422 WeakPolarHBondContact CG-O 3.37Å; D400-F422 HydrophobicContact CB-CB 4.07Å; A403-F422 HydrophobicContact CB-CB 3.88Å; R404-F422 HydrophobicContact CB-CD2 4.2Å; R404-F422 HydrophobicContact CB-CE2 4.36Å; R404-F422 HydrophobicContact CB-CG 4.31Å; R404-F422 HydrophobicContact CG-CD2 4.25Å; R404-F422 HydrophobicContact CG-CE2 3.96Å; R404-F422 HydrophobicContact CG-CZ 4.23Å; I408-F422 WeakPolarHBondContact O-CA 3.45Å; I408-F422 WeakPolarHBondContact O-CD1 3.33Å; R409-F422 HydrophobicContact CG-CD1 3.92Å; R409-F422 HydrophobicContact CG-CE1 3.7Å
423V98.6Very high90.5Very high0 Ų057.7 Ų57.70%029%0.29CS..  trans-67.3159.3174.3-63.50000110.8L285 L290 Y329 A403 I408 Y410 M425L285-V423 HydrophobicContact CB-CG1 4.24Å; L285-V423 HydrophobicContact CD1-CG1 4.07Å; L285-V423 HydrophobicContact CD1-CG2 4.2Å; L285-V423 HydrophobicContact CG-CG1 4.48Å; L290-V423 HydrophobicContact CD1-CG1 3.9Å; L290-V423 HydrophobicContact CD2-CG1 4.39Å; Y329-V423 HydrophobicContact CD1-CG2 3.95Å; A403-V423 HydrophobicContact CB-CG2 4.03Å; A403-V423 WeakPolarHBondContact CB-O 3.22Å; I408-V423 HydrophobicContact CB-CG2 4.15Å; I408-V423 HydrophobicContact CG2-CG2 3.7Å; I408-V423 PolarHBondContact O-N 3.38Å; Y410-V423 HydrophobicContact CD2-CG1 4.37Å; V423-M425 HydrophobicContact CG2-CG 4.44Å
424H98.9Very high91.6Very high26 Ų2651.1 Ų51.112%0.1225%0.249CC..EExtended strand (participates in β ladder)trans-88.1141.1168.3-73.3178000110.4Y329 A330 S337 T399 D400Y329-H424 CarbonylContact C-O 3.53Å; Y329-H424 WeakPolarHBondContact CA-O 3.35Å; A330-H424 HydrophobicContact CB-CB 4.42Å; A330-H424 PolarHBondContact N-O 3.02Å; A330-H424 PolarHBondContact O-N 3.26Å; S337-H424 VanDerWaalsContact CB-ND1 3.32Å; S337-H424 WeakPolarHBondContact CB-ND1 3.28Å; S337-H424 PolarHBondContact OG-ND1 3.24Å; T399-H424 CarbonylContact O-C 3.6Å; T399-H424 VanDerWaalsContact O-CA 3.31Å; T399-H424 WeakPolarHBondContact O-CA 3.43Å; D400-H424 PolarHBondContact N-CD2 3.49Å
425M98.9Very high92.9Very high0 Ų043.4 Ų43.40%022%0.215CC..EExtended strand (participates in β ladder)trans-119.3132.9-179.3-68.7167.169.900110A277 F327 V328 Y329 C398 T399 Q402 A403 L406 I408 V423A277-M425 HydrophobicContact CB-CE 3.47Å; A277-M425 VanDerWaalsContact CB-CE 3.47Å; F327-M425 HydrophobicContact CE1-CB 4.43Å; F327-M425 HydrophobicContact CE1-CE 3.98Å; F327-M425 HydrophobicContact CE1-CG 4.45Å; F327-M425 HydrophobicContact CZ-CB 4.11Å; F327-M425 HydrophobicContact CZ-CE 3.47Å; F327-M425 VanDerWaalsContact CZ-CE 3.47Å; F327-M425 HydrophobicContact CZ-CG 4.4Å; V328-M425 WeakPolarHBondContact O-CA 3.03Å; Y329-M425 HydrophobicContact CD1-CG 3.71Å; Y329-M425 HydrophobicContact CD1-SD 4.3Å; Y329-M425 HydrophobicContact CE1-CE 3.73Å; Y329-M425 HydrophobicContact CE1-CG 3.87Å; Y329-M425 HydrophobicContact CE1-SD 3.93Å; C398-M425 WeakPolarHBondContact CA-O 3.44Å; C398-M425 WeakPolarHBondContact CB-O 3.5Å; C398-M425 PolarHBondContact N-O 2.88Å; T399-M425 PolarHBondContact O-N 3.48Å; Q402-M425 HydrophobicContact CB-CE 3.89Å; Q402-M425 HydrophobicContact CB-SD 3.75Å; A403-M425 WeakPolarHBondContact CA-SD 3.31Å; A403-M425 HydrophobicContact CB-CG 4.25Å; A403-M425 HydrophobicContact CB-SD 3.56Å; A403-M425 VanDerWaalsContact CB-SD 3.56Å; A403-M425 PolarHBondContact N-SD 2.97Å; L406-M425 HydrophobicContact CD1-CE 3.84Å; I408-M425 HydrophobicContact CD1-CE 4.24Å; I408-M425 HydrophobicContact CD1-SD 4.14Å; V423-M425 HydrophobicContact CG2-CG 4.44Å
426L98.9Very high94Very high0 Ų036.3 Ų36.30%018%0.184CC..EExtended strand (participates in β ladder)trans-129.9146.8179.5-58.496.5000110.2F327 V328 A330 S337 M340 F341 M344 S396 N397F327-L426 WeakPolarHBondContact CA-O 3.47Å; V328-L426 PolarHBondContact N-O 2.82Å; V328-L426 PolarHBondContact O-N 3.18Å; A330-L426 HydrophobicContact CB-CD1 3.85Å; S337-L426 WeakPolarHBondContact O-CD2 3.18Å; M340-L426 HydrophobicContact CB-CD1 4.49Å; M340-L426 HydrophobicContact CB-CD2 4.44Å; M340-L426 HydrophobicContact CG-CD1 4.22Å; M340-L426 HydrophobicContact CG-CD2 4.39Å; F341-L426 HydrophobicContact CB-CD2 3.71Å; F341-L426 HydrophobicContact CD2-CD2 4.26Å; M344-L426 HydrophobicContact CE-CB 3.95Å; M344-L426 HydrophobicContact SD-CB 3.53Å; M344-L426 VanDerWaalsContact SD-CB 3.53Å; M344-L426 HydrophobicContact SD-CD2 4.23Å; M344-L426 HydrophobicContact SD-CG 4.41Å; S396-L426 WeakPolarHBondContact O-CA 3.48Å; N397-L426 HydrophobicContact CB-CD2 3.81Å; N397-L426 HydrophobicContact CB-CG 4.29Å
427N98.8Very high95.1Very high8 Ų826.7 Ų26.74%0.04314%0.137CC..EExtended strand (participates in β ladder)trans-136145.817561.974.6000110.4E273 Q326 F327 M344 C395 S396E273-N427 HydrophobicContact CB-CB 4.46Å; E273-N427 VanDerWaalsContact CD-CG 3.5Å; E273-N427 HydrophobicContact CG-CB 3.77Å; E273-N427 PolarHBondContact OE1-ND2 3.35Å; Q326-N427 CarbonylContact O-C 3.44Å; Q326-N427 VanDerWaalsContact O-CA 3.31Å; Q326-N427 WeakPolarHBondContact O-CA 3.28Å; F327-N427 HydrophobicContact CD2-CB 3.95Å; F327-N427 HydrophobicContact CE2-CB 4.21Å; M344-N427 VanDerWaalsContact CE-C 3.44Å; C395-N427 CarbonylContact C-O 3.52Å; C395-N427 WeakPolarHBondContact CA-O 3.42Å; S396-N427 PolarHBondContact N-O 3.01Å; S396-N427 PolarHBondContact O-N 3.16Å; S396-N427 VanDerWaalsContact O-N 3.12Å
428A98.8Very high96.2Very high0 Ų023.4 Ų23.40%012%0.121CC..EExtended strand (participates in β ladder)trans-149.9137.9170.800000110.9Q326 M344 S394 C395 M430Q326-A428 HydrophobicContact CB-CB 4.19Å; Q326-A428 WeakPolarHBondContact CB-O 3.49Å; Q326-A428 PolarHBondContact N-O 3.12Å; Q326-A428 PolarHBondContact O-N 2.94Å; M344-A428 HydrophobicContact CB-CB 4.35Å; M344-A428 HydrophobicContact CE-CB 3.66Å; S394-A428 CarbonylContact O-C 3.59Å; S394-A428 VanDerWaalsContact O-CA 3.23Å; S394-A428 WeakPolarHBondContact O-CA 3.29Å; C395-A428 HydrophobicContact CB-CB 3.7Å; A428-M430 PolarHBondContact O-N 3.45Å
429T98.8Very high97.3Very high14 Ų1415.2 Ų15.29%0.0868%0.077CC..EExtended strand (participates in β ladder)trans-68.4130169-62.80000110.1K323 E325 V393 S394 A432K323-T429 HydrophobicContact CD-CG2 3.81Å; K323-T429 HydrophobicContact CG-CG2 4.03Å; E325-T429 WeakPolarHBondContact OE2-CA 3.12Å; E325-T429 PolarHBondContact OE2-OG1 2.86Å; V393-T429 WeakPolarHBondContact CG1-O 3.47Å; V393-T429 WeakPolarHBondContact CG2-O 3.44Å; S394-T429 PolarHBondContact O-N 3.35Å; T429-A432 HydrophobicContact CG2-CB 4.29Å
430M98.5Very high98Very high0 Ų010.2 Ų10.20%06%0.055CC..EExtended strand (participates in β ladder)trans-90-46.4169.6-177.664.7168.900110.7A211 I214 L215 I324 Q326 T347 F351 Y352 A428A211-M430 HydrophobicContact CB-CG 4.01Å; I214-M430 HydrophobicContact CB-CE 3.89Å; I214-M430 HydrophobicContact CD1-CE 4.34Å; I214-M430 HydrophobicContact CG2-CE 3.54Å; L215-M430 HydrophobicContact CD1-CB 4.08Å; L215-M430 HydrophobicContact CD1-CG 3.98Å; L215-M430 HydrophobicContact CD2-CE 4.15Å; L215-M430 HydrophobicContact CD2-CG 4.37Å; L215-M430 HydrophobicContact CD2-SD 4.04Å; L215-M430 HydrophobicContact CG-CE 4.23Å; L215-M430 HydrophobicContact CG-CG 4.19Å; L215-M430 HydrophobicContact CG-SD 4.4Å; I324-M430 HydrophobicContact CB-CB 4.24Å; I324-M430 HydrophobicContact CG2-CB 4Å; I324-M430 HydrophobicContact CG2-CG 4.32Å; I324-M430 WeakPolarHBondContact O-CA 3.48Å; I324-M430 WeakPolarHBondContact O-CB 3.45Å; I324-M430 PolarHBondContact O-N 3.36Å; Q326-M430 HydrophobicContact CG-CB 4.22Å; T347-M430 HydrophobicContact CG2-CE 4.44Å; T347-M430 HydrophobicContact CG2-SD 4.31Å; F351-M430 HydrophobicContact CB-CE 3.51Å; F351-M430 HydrophobicContact CB-SD 4.05Å; F351-M430 HydrophobicContact CD2-CE 3.62Å; F351-M430 HydrophobicContact CE2-CE 4.5Å; F351-M430 HydrophobicContact CG-CE 3.73Å; F351-M430 HydrophobicContact CG-SD 4.29Å; Y352-M430 PolarHBondContact OH-O 3.28Å; A428-M430 PolarHBondContact O-N 3.45Å
431C98.8Very high98.5Very high0 Ų08.5 Ų8.50%04%0.041CC..EExtended strand (participates in β ladder)trans-158.5111.1-178.4173.40000110.6A211 K323 I324 F351A211-C431 HydrophobicContact CB-CB 4.12Å; K323-C431 WeakPolarHBondContact CA-O 3.23Å; I324-C431 HydrophobicContact CB-CB 4.48Å; I324-C431 HydrophobicContact CD1-CB 4.18Å; I324-C431 PolarHBondContact N-O 2.81Å; I324-C431 PolarHBondContact O-N 3.1Å; I324-C431 VanDerWaalsContact O-N 3.16Å; F351-C431 HydrophobicContact CE1-CB 3.87Å; F351-C431 HydrophobicContact CZ-CB 3.83Å
432A98.6Very high98.7Very high8 Ų85.6 Ų5.67%0.0663%0.027CC..EExtended strand (participates in β ladder)trans-87.2102.8163.500000108.9K323 T429 T434 R435 V436K323-A432 HydrophobicContact CG-CB 4.47Å; T429-A432 HydrophobicContact CG2-CB 4.29Å; A432-T434 VanDerWaalsContact C-N 3.35Å; A432-T434 PolarHBondContact O-N 3.2Å; A432-R435 PolarHBondContact O-N 2.93Å; A432-R435 VanDerWaalsContact O-N 3.16Å; A432-V436 WeakPolarHBondContact O-CG2 3.39Å; A432-V436 PolarHBondContact O-N 3.11Å
433T98.8Very high98.8Very high0 Ų05.5 Ų5.50%03%0.028CC..Hα-helixtrans-54.7-46.9-159.957.80000112.9E204 I208 E322 I324 R435 V436 M437E204-T433 HydrophobicContact CG-CG2 4.07Å; E204-T433 WeakPolarHBondContact OE1-CB 3.45Å; E204-T433 PolarHBondContact OE1-OG1 3.23Å; I208-T433 HydrophobicContact CD1-CG2 4.26Å; I208-T433 HydrophobicContact CG1-CG2 3.75Å; E322-T433 HydrophobicContact CB-CG2 3.77Å; E322-T433 WeakPolarHBondContact CB-OG1 3.27Å; E322-T433 PolarHBondContact O-N 2.72Å; E322-T433 PolarHBondContact O-OG1 3.04Å; I324-T433 HydrophobicContact CD1-CG2 4.16Å; T433-R435 PolarHBondContact O-N 2.79Å; T433-V436 PolarHBondContact O-N 3.29Å; T433-M437 WeakPolarHBondContact O-CB 3.44Å; T433-M437 VanDerWaalsContact O-CG 3.31Å; T433-M437 WeakPolarHBondContact O-CG 3.16Å; T433-M437 PolarHBondContact O-N 3.26Å
434T98.7Very high98.8Very high2 Ų28 Ų81%0.0124%0.037CC..Hα-helixtrans-63.5-43.7-177.158.50000112.7I315 F321 A432 M437 C438I315-T434 VanDerWaalsContact O-CB 3.26Å; I315-T434 WeakPolarHBondContact O-CB 3.29Å; I315-T434 PolarHBondContact O-OG1 3.33Å; F321-T434 HydrophobicContact CB-CG2 3.97Å; A432-T434 VanDerWaalsContact C-N 3.35Å; A432-T434 PolarHBondContact O-N 3.2Å; T434-M437 HydrophobicContact CG2-CE 4.29Å; T434-M437 PolarHBondContact O-N 3.25Å; T434-C438 PolarHBondContact O-N 2.84Å; T434-C438 VanDerWaalsContact O-N 3.09Å; T434-C438 PolarHBondContact O-SG 2.91Å
435R98.8Very high98.8Very high32 Ų327.4 Ų7.412%0.1214%0.035CC..Hα-helixtrans-69.8-39.2177.5-65.3-166.9176.6-179.28.9112.2F316 E391 L392 A432 T433 C438 A439F316-R435 HydrophobicContact CD2-CB 4.17Å; F316-R435 HydrophobicContact CD2-CG 3.85Å; F316-R435 HydrophobicContact CE2-CB 4.05Å; F316-R435 HydrophobicContact CE2-CG 3.83Å; F316-R435 HydrophobicContact CG-CG 4.33Å; F316-R435 HydrophobicContact CZ-CG 4.29Å; F316-R435 WeakPolarHBondContact O-CG 3.44Å; F316-R435 PolarHBondContact O-NE 2.83Å; F316-R435 VanDerWaalsContact O-NE 3.16Å; E391-R435 WeakPolarHBondContact O-CD 3.41Å; E391-R435 PolarHBondContact O-NH1 3.49Å; E391-R435 IonicContact OE2-NH1 3.86Å; L392-R435 HydrophobicContact CD2-CB 3.53Å; A432-R435 PolarHBondContact O-N 2.93Å; A432-R435 VanDerWaalsContact O-N 3.16Å; T433-R435 PolarHBondContact O-N 2.79Å; R435-C438 WeakPolarHBondContact O-CB 3.4Å; R435-C438 PolarHBondContact O-N 3.26Å; R435-A439 PolarHBondContact O-N 2.87Å
436V98.8Very high98.8Very high0 Ų010.3 Ų10.30%05%0.053CC..Hα-helixtrans-66.9-38.4176.7-179.90000111L207 Y352 L355 L392 A432 T433 C438 A439 I440L207-V436 HydrophobicContact CD1-CB 4.25Å; L207-V436 HydrophobicContact CD1-CG1 4.06Å; L207-V436 HydrophobicContact CD2-CG1 3.67Å; Y352-V436 HydrophobicContact CE1-CG1 4.32Å; Y352-V436 HydrophobicContact CE1-CG2 3.84Å; Y352-V436 WeakPolarHBondContact OH-CG2 3.47Å; L355-V436 HydrophobicContact CD1-CG1 4.21Å; L392-V436 HydrophobicContact CD1-CG2 4.43Å; A432-V436 WeakPolarHBondContact O-CG2 3.39Å; A432-V436 PolarHBondContact O-N 3.11Å; T433-V436 PolarHBondContact O-N 3.29Å; V436-C438 PolarHBondContact O-N 3.45Å; V436-A439 WeakPolarHBondContact O-CB 3.44Å; V436-A439 PolarHBondContact O-N 3.15Å; V436-I440 HydrophobicContact CG1-CD1 4.11Å; V436-I440 WeakPolarHBondContact O-CG1 3.48Å; V436-I440 PolarHBondContact O-N 2.79Å
437M98.8Very high98.7Very high0 Ų017.9 Ų17.90%09%0.093CC..Hα-helixtrans-57.8-47.5170.1-75.5-169.8-70.100111.1L196 L200 L203 E204 L207 I315 T433 T434 A439 I440 L441L196-M437 HydrophobicContact CD1-CE 4.29Å; L196-M437 HydrophobicContact CD2-CE 3.84Å; L196-M437 HydrophobicContact CD2-SD 4.38Å; L200-M437 HydrophobicContact CB-SD 4.22Å; L200-M437 HydrophobicContact CD2-SD 4.07Å; L203-M437 HydrophobicContact CB-SD 4.32Å; L203-M437 HydrophobicContact CD2-CB 4.43Å; L203-M437 HydrophobicContact CD2-CG 3.9Å; L203-M437 HydrophobicContact CD2-SD 4.34Å; L203-M437 HydrophobicContact CG-CG 4.06Å; L203-M437 HydrophobicContact CG-SD 4.37Å; E204-M437 HydrophobicContact CB-CE 4.09Å; E204-M437 HydrophobicContact CB-SD 3.97Å; L207-M437 HydrophobicContact CD1-CG 3.62Å; I315-M437 HydrophobicContact CD1-CE 3.98Å; T433-M437 WeakPolarHBondContact O-CB 3.44Å; T433-M437 VanDerWaalsContact O-CG 3.31Å; T433-M437 WeakPolarHBondContact O-CG 3.16Å; T433-M437 PolarHBondContact O-N 3.26Å; T434-M437 HydrophobicContact CG2-CE 4.29Å; T434-M437 PolarHBondContact O-N 3.25Å; M437-A439 VanDerWaalsContact C-N 3.29Å; M437-A439 PolarHBondContact O-N 3.46Å; M437-I440 PolarHBondContact O-N 2.83Å; M437-L441 WeakPolarHBondContact O-CG 3.38Å; M437-L441 PolarHBondContact O-N 3.46Å
438C98.9Very high98.6Very high0 Ų023.7 Ų23.70%012%0.12CC..Hα-helixtrans-56.6-42.2175.8-650000112.5H170 I315 F316 F383 T434 R435 V436 L441 E442H170-C438 HydrophobicContact CB-CB 3.64Å; H170-C438 PolarHBondContact ND1-SG 3.18Å; H170-C438 VanDerWaalsContact ND1-SG 3.36Å; I315-C438 VanDerWaalsContact CG1-SG 3.52Å; F316-C438 HydrophobicContact CD2-CB 4.4Å; F383-C438 HydrophobicContact CE1-CB 3.71Å; F383-C438 HydrophobicContact CZ-CB 4.33Å; T434-C438 PolarHBondContact O-N 2.84Å; T434-C438 VanDerWaalsContact O-N 3.09Å; T434-C438 PolarHBondContact O-SG 2.91Å; R435-C438 WeakPolarHBondContact O-CB 3.4Å; R435-C438 PolarHBondContact O-N 3.26Å; V436-C438 PolarHBondContact O-N 3.45Å; C438-L441 PolarHBondContact O-N 3.23Å; C438-E442 PolarHBondContact O-N 3.14Å; C438-E442 VanDerWaalsContact O-N 3.12Å
439A98.9Very high98.6Very high0 Ų023.7 Ų23.70%012%0.12CC..Hα-helixtrans-64-43.117700000112.2I357 F383 L392 R435 V436 M437 N443I357-A439 HydrophobicContact CD1-CB 4.48Å; I357-A439 HydrophobicContact CG2-CB 4.24Å; F383-A439 HydrophobicContact CE1-CB 4.25Å; F383-A439 HydrophobicContact CE2-CB 3.88Å; F383-A439 HydrophobicContact CZ-CB 3.62Å; L392-A439 HydrophobicContact CD1-CB 3.86Å; R435-A439 PolarHBondContact O-N 2.87Å; V436-A439 WeakPolarHBondContact O-CB 3.44Å; V436-A439 PolarHBondContact O-N 3.15Å; M437-A439 VanDerWaalsContact C-N 3.29Å; M437-A439 PolarHBondContact O-N 3.46Å; A439-N443 VanDerWaalsContact O-CB 3.29Å; A439-N443 WeakPolarHBondContact O-CB 3.34Å; A439-N443 PolarHBondContact O-N 2.84Å; A439-N443 PolarHBondContact O-ND2 2.96Å
440I98.9Very high98.6Very high1 Ų123 Ų231%0.00512%0.116CC..Hα-helixtrans-63-48.5176-71.7167.4000110.5L203 L207 I357 V436 M437 E442 N443 Y444 I450 P453 L456L203-I440 HydrophobicContact CD2-CG2 4.43Å; L207-I440 HydrophobicContact CD1-CD1 4.27Å; L207-I440 HydrophobicContact CD2-CD1 3.88Å; L207-I440 HydrophobicContact CG-CD1 4.42Å; I357-I440 HydrophobicContact CD1-CG1 4.1Å; V436-I440 HydrophobicContact CG1-CD1 4.11Å; V436-I440 WeakPolarHBondContact O-CG1 3.48Å; V436-I440 PolarHBondContact O-N 2.79Å; M437-I440 PolarHBondContact O-N 2.83Å; I440-E442 VanDerWaalsContact C-N 3.32Å; I440-E442 PolarHBondContact O-N 3.3Å; I440-N443 PolarHBondContact O-N 3.02Å; I440-Y444 HydrophobicContact CG2-CD2 4.18Å; I440-Y444 VanDerWaalsContact O-CB 3.29Å; I440-Y444 WeakPolarHBondContact O-CB 3.48Å; I440-Y444 PolarHBondContact O-N 3.24Å; I440-I450 HydrophobicContact CG2-CG2 4.45Å; I440-P453 HydrophobicContact CD1-CG 4.19Å; I440-P453 HydrophobicContact CG1-CG 4.17Å; I440-P453 HydrophobicContact CG2-CG 3.81Å; I440-L456 HydrophobicContact CD1-CD1 3.7Å
441L98.9Very high98.6Very high0 Ų025 Ų250%013%0.128CC..Hα-helixtrans-54.5-50-179.9-68.2173.9000110.7L173 V174 I177 L200 M437 C438 Q445 I450L173-L441 HydrophobicContact CB-CB 4.13Å; L173-L441 HydrophobicContact CB-CD1 4.45Å; L173-L441 HydrophobicContact CD1-CB 4.01Å; L173-L441 WeakPolarHBondContact CD1-O 3.28Å; V174-L441 HydrophobicContact CB-CD1 4.45Å; V174-L441 HydrophobicContact CG1-CD1 3.37Å; I177-L441 HydrophobicContact CD1-CD2 3.69Å; L200-L441 HydrophobicContact CD2-CD1 4.35Å; L200-L441 HydrophobicContact CD2-CD2 4.2Å; M437-L441 WeakPolarHBondContact O-CG 3.38Å; M437-L441 PolarHBondContact O-N 3.46Å; C438-L441 PolarHBondContact O-N 3.23Å; L441-Q445 WeakPolarHBondContact O-CB 3.46Å; L441-Q445 PolarHBondContact O-N 3.31Å; L441-I450 HydrophobicContact CB-CD1 4.49Å; L441-I450 HydrophobicContact CD2-CB 4.31Å; L441-I450 HydrophobicContact CD2-CD1 4.1Å; L441-I450 HydrophobicContact CD2-CG1 3.65Å; L441-I450 HydrophobicContact CD2-CG2 4.07Å; L441-I450 WeakPolarHBondContact O-CD1 3.45Å
442E98.8Very high98.6Very high0 Ų025.1 Ų25.10%013%0.129CC..Hα-helixtrans-67.7-44.5179.7-71.2-165.1-162.400112.9K166 H170 L173 F383 P384 G385 S386 C438 I440 Y444 Q445K166-E442 VanDerWaalsContact CD-O 3.23Å; K166-E442 WeakPolarHBondContact CD-O 3.48Å; H170-E442 HydrophobicContact CB-CG 3.95Å; H170-E442 IonicContact CD2-OE1 3.85Å; H170-E442 PolarHBondContact CD2-OE1 3.12Å; H170-E442 IonicContact CG-OE1 3.77Å; H170-E442 PolarHBondContact N-OE1 3.37Å; L173-E442 HydrophobicContact CD1-CG 4.13Å; F383-E442 WeakPolarHBondContact CA-OE2 3.32Å; F383-E442 VanDerWaalsContact CB-OE2 3.29Å; F383-E442 WeakPolarHBondContact CB-OE2 3.29Å; F383-E442 HydrophobicContact CD1-CG 4.42Å; P384-E442 HydrophobicContact CG-CB 3.98Å; G385-E442 VanDerWaalsContact CA-OE2 3.27Å; G385-E442 WeakPolarHBondContact CA-OE2 3.39Å; G385-E442 PolarHBondContact N-OE2 3.44Å; S386-E442 PolarHBondContact N-OE2 3.24Å; S386-E442 PolarHBondContact OG-OE1 3.13Å; C438-E442 PolarHBondContact O-N 3.14Å; C438-E442 VanDerWaalsContact O-N 3.12Å; I440-E442 VanDerWaalsContact C-N 3.32Å; I440-E442 PolarHBondContact O-N 3.3Å; E442-Y444 PolarHBondContact O-N 3.12Å; E442-Q445 WeakPolarHBondContact O-CG 3.47Å; E442-Q445 PolarHBondContact O-NE2 3.04Å
443N98.8Very high98.6Very high24 Ų2424.8 Ų24.813%0.12813%0.126CC..Hα-helixtrans-73.8-25.1-175.9-78.4-74.7000113.5K166 I357 P358 W382 A439 I440K166-N443 PolarHBondContact NZ-O 3.16Å; I357-N443 HydrophobicContact CD1-CB 3.92Å; P358-N443 WeakPolarHBondContact CD-OD1 3.25Å; P358-N443 WeakPolarHBondContact CG-OD1 3.46Å; W382-N443 PolarHBondContact O-ND2 3.15Å; W382-N443 VanDerWaalsContact O-ND2 3.09Å; A439-N443 VanDerWaalsContact O-CB 3.29Å; A439-N443 WeakPolarHBondContact O-CB 3.34Å; A439-N443 PolarHBondContact O-N 2.84Å; A439-N443 PolarHBondContact O-ND2 2.96Å; I440-N443 PolarHBondContact O-N 3.02Å
444Y98.8Very high98.6Very high52 Ų5231.7 Ų31.720%0.20416%0.158CC..Hα-helixtrans-109.77.2-176.4-75.2-98.5000114.7L355 I357 I440 E442 V451 P453L355-Y444 VanDerWaalsContact O-CE2 3.29Å; L355-Y444 WeakPolarHBondContact O-CE2 3.3Å; L355-Y444 PolarHBondContact O-OH 3.35Å; I357-Y444 HydrophobicContact CD1-CD2 4.4Å; I357-Y444 HydrophobicContact CD1-CE2 4.02Å; I440-Y444 HydrophobicContact CG2-CD2 4.18Å; I440-Y444 VanDerWaalsContact O-CB 3.29Å; I440-Y444 WeakPolarHBondContact O-CB 3.48Å; I440-Y444 PolarHBondContact O-N 3.24Å; E442-Y444 PolarHBondContact O-N 3.12Å; Y444-V451 WeakPolarHBondContact CB-O 3.49Å; Y444-V451 HydrophobicContact CD1-CB 4.07Å; Y444-V451 HydrophobicContact CD1-CG1 4.17Å; Y444-V451 WeakPolarHBondContact CD1-O 3.4Å; Y444-V451 PolarHBondContact O-N 3Å; Y444-P453 HydrophobicContact CD1-CG 4.35Å; Y444-P453 HydrophobicContact CD2-CG 4.06Å; Y444-P453 HydrophobicContact CE1-CB 4.25Å; Y444-P453 HydrophobicContact CE1-CG 4.13Å; Y444-P453 HydrophobicContact CE2-CB 4.37Å; Y444-P453 HydrophobicContact CE2-CG 3.82Å; Y444-P453 HydrophobicContact CG-CG 4.32Å
445Q98.7Very high98.5Very high14 Ų1436.1 Ų36.17%0.06518%0.177CC..BIsolated β-bridgetrans-63.9144.4173.472-173.1-74.500112.7K166 Y168 L173 L441 E442 I450K166-Q445 HydrophobicContact CB-CG 4.16Å; K166-Q445 HydrophobicContact CD-CG 3.77Å; K166-Q445 PolarHBondContact NZ-O 3.31Å; Y168-Q445 PolarHBondContact O-NE2 3.22Å; L173-Q445 HydrophobicContact CD1-CB 4.27Å; L173-Q445 HydrophobicContact CD2-CB 4.15Å; L441-Q445 WeakPolarHBondContact O-CB 3.46Å; L441-Q445 PolarHBondContact O-N 3.31Å; E442-Q445 WeakPolarHBondContact O-CG 3.47Å; E442-Q445 PolarHBondContact O-NE2 3.04Å; Q445-I450 HydrophobicContact CB-CD1 3.74Å
446T98.3Very high98.5Very high61 Ų6134.6 Ų34.637%0.37417%0.172SC..  trans-133.9-176.2173.166.10000108.5E448 G449 V451 F470T446-E448 VanDerWaalsContact C-N 3.29Å; T446-E448 PolarHBondContact O-N 3.07Å; T446-E448 PolarHBondContact OG1-N 2.89Å; T446-G449 PolarHBondContact N-O 3.34Å; T446-G449 PolarHBondContact OG1-N 3.22Å; T446-G449 PolarHBondContact OG1-O 2.95Å; T446-V451 HydrophobicContact CG2-CG2 3.75Å; T446-F470 WeakPolarHBondContact O-CE2 3.3Å
447D96.9Very high98.5Very high159 Ų15939.2 Ų39.285%0.8519%0.189SC*.SBendtrans-69.4-25.6174.3-64-30.5000113.1
448E97.1Very high98.5Very high130 Ų13045.3 Ų45.361%0.60722%0.217SC*.SBendtrans-94.6-23.6-176.2-63.1-170178.700113.8T446 I467 K469 F470T446-E448 VanDerWaalsContact C-N 3.29Å; T446-E448 PolarHBondContact O-N 3.07Å; T446-E448 PolarHBondContact OG1-N 2.89Å; E448-I467 HydrophobicContact CB-CD1 4.01Å; E448-K469 WeakPolarHBondContact O-CA 3.41Å; E448-F470 PolarHBondContact O-N 2.66Å
449G98.3Very high98.4Very high0 Ų047 Ų470%023%0.225CC..EExtended strand (participates in β ladder)trans160.6-157.4-172.500000113.3T446 I468T446-G449 PolarHBondContact N-O 3.34Å; T446-G449 PolarHBondContact OG1-N 3.22Å; T446-G449 PolarHBondContact OG1-O 2.95Å; G449-I468 CarbonylContact C-O 3.52Å; G449-I468 VanDerWaalsContact CA-O 3.25Å; G449-I468 WeakPolarHBondContact CA-O 3.24Å
450I98.8Very high98.4Very high1 Ų147.6 Ų47.61%0.00523%0.228CC..EExtended strand (participates in β ladder)trans-107115.6-178.1-45.4-64.7000109.1L173 I177 I440 L441 Q445 V452 I467 I468 F470L173-I450 HydrophobicContact CD1-CD1 4.34Å; L173-I450 HydrophobicContact CD2-CD1 3.88Å; L173-I450 HydrophobicContact CG-CD1 4.49Å; I177-I450 HydrophobicContact CG2-CG1 4.07Å; I440-I450 HydrophobicContact CG2-CG2 4.45Å; L441-I450 HydrophobicContact CB-CD1 4.49Å; L441-I450 HydrophobicContact CD2-CB 4.31Å; L441-I450 HydrophobicContact CD2-CD1 4.1Å; L441-I450 HydrophobicContact CD2-CG1 3.65Å; L441-I450 HydrophobicContact CD2-CG2 4.07Å; L441-I450 WeakPolarHBondContact O-CD1 3.45Å; Q445-I450 HydrophobicContact CB-CD1 3.74Å; I450-V452 PolarHBondContact O-N 3.1Å; I450-I467 CarbonylContact O-C 3.58Å; I450-I467 WeakPolarHBondContact O-CA 3.33Å; I450-I467 WeakPolarHBondContact O-CG1 3.4Å; I450-I468 HydrophobicContact CB-CB 4.35Å; I450-I468 PolarHBondContact N-O 3.41Å; I450-I468 PolarHBondContact O-N 2.84Å; I450-F470 HydrophobicContact CD1-CE1 3.97Å; I450-F470 HydrophobicContact CD1-CZ 4.06Å; I450-F470 HydrophobicContact CG1-CE1 4.28Å
451V98.8Very high98.4Very high42 Ų4249 Ų4926%0.25524%0.237SC..EExtended strand (participates in β ladder)trans-66.4133.9174.41740000109.3Y444 T446 P453 I467Y444-V451 WeakPolarHBondContact CB-O 3.49Å; Y444-V451 HydrophobicContact CD1-CB 4.07Å; Y444-V451 HydrophobicContact CD1-CG1 4.17Å; Y444-V451 WeakPolarHBondContact CD1-O 3.4Å; Y444-V451 PolarHBondContact O-N 3Å; T446-V451 HydrophobicContact CG2-CG2 3.75Å; V451-P453 WeakPolarHBondContact O-CD 3.44Å; V451-I467 HydrophobicContact CG2-CD1 4.45Å
452V98.8Very high98.3Very high1 Ų155.2 Ų55.21%0.00628%0.277CS..PPolyproline II helixtrans-77.8126.2177.1178.60000109.4I450 E454 L456 R457 M460 L464 E466 I468I450-V452 PolarHBondContact O-N 3.1Å; V452-E454 PolarHBondContact O-N 3.04Å; V452-L456 HydrophobicContact CG1-CB 4.1Å; V452-R457 HydrophobicContact CB-CG 4.35Å; V452-R457 HydrophobicContact CG1-CG 3.91Å; V452-R457 PolarHBondContact O-NE 3.36Å; V452-R457 PolarHBondContact O-NH2 3.44Å; V452-M460 HydrophobicContact CG1-CG 3.86Å; V452-M460 HydrophobicContact CG2-CE 4.48Å; V452-L464 WeakPolarHBondContact CG2-O 3.41Å; V452-E466 PolarHBondContact N-O 3.41Å; V452-I468 HydrophobicContact CG2-CD1 4.23Å; V452-I468 HydrophobicContact CG2-CG1 3.96Å
453P98.7Very high98.1Very high1 Ų158.7 Ų58.71%0.00631%0.313CS..PPolyproline II helixtrans-53.4138175.2-25.733.4000111.4L355 I440 Y444 V451 K455 L456 R457L355-P453 HydrophobicContact CD2-CB 4.29Å; I440-P453 HydrophobicContact CD1-CG 4.19Å; I440-P453 HydrophobicContact CG1-CG 4.17Å; I440-P453 HydrophobicContact CG2-CG 3.81Å; Y444-P453 HydrophobicContact CD1-CG 4.35Å; Y444-P453 HydrophobicContact CD2-CG 4.06Å; Y444-P453 HydrophobicContact CE1-CB 4.25Å; Y444-P453 HydrophobicContact CE1-CG 4.13Å; Y444-P453 HydrophobicContact CE2-CB 4.37Å; Y444-P453 HydrophobicContact CE2-CG 3.82Å; Y444-P453 HydrophobicContact CG-CG 4.32Å; V451-P453 WeakPolarHBondContact O-CD 3.44Å; P453-K455 PolarHBondContact O-N 3.22Å; P453-K455 VanDerWaalsContact O-N 3.13Å; P453-L456 HydrophobicContact CB-CD1 4.27Å; P453-L456 HydrophobicContact CB-CG 4.26Å; P453-L456 HydrophobicContact CG-CD1 4.04Å; P453-L456 PolarHBondContact O-N 2.92Å; P453-R457 WeakPolarHBondContact O-CG 3.46Å; P453-R457 PolarHBondContact O-N 3Å
454E98.3Very high98.1Very high145 Ų14559.6 Ų59.668%0.67832%0.318SS*.G310 helixtrans-51.7-43.2-171.9-170.7-173.6156.500112.8V452 L456 R457V452-E454 PolarHBondContact O-N 3.04Å; E454-L456 PolarHBondContact O-N 3.37Å; E454-R457 WeakPolarHBondContact O-CG 3.34Å; E454-R457 PolarHBondContact O-N 2.89Å
455K98.3Very high98Very high96 Ų9659.3 Ų59.342%0.41732%0.321SS..G310 helixtrans-68.4-19.4-179.2-62.2-62.2-178.7-169.60114.5Y210 S354 P453 F459Y210-K455 HydrophobicContact CD1-CB 4.5Å; Y210-K455 HydrophobicContact CD2-CB 4.43Å; Y210-K455 HydrophobicContact CE1-CB 3.88Å; Y210-K455 HydrophobicContact CE2-CB 3.81Å; Y210-K455 HydrophobicContact CE2-CD 4.44Å; Y210-K455 HydrophobicContact CE2-CG 4.36Å; Y210-K455 VanDerWaalsContact CZ-CB 3.49Å; Y210-K455 WeakPolarHBondContact OH-CG 3.31Å; S354-K455 WeakPolarHBondContact O-CG 3.2Å; P453-K455 PolarHBondContact O-N 3.22Å; P453-K455 VanDerWaalsContact O-N 3.13Å; K455-F459 WeakPolarHBondContact O-CE2 3.44Å
456L98.8Very high98Very high0 Ų065.1 Ų65.10%035%0.348CS..G310 helixtrans-91.5-17.1179-60.4-176.1000112.7L203 A206 L207 Y210 L355 I440 V452 P453 E454 E458 F459 M460L203-L456 HydrophobicContact CD1-CD1 3.76Å; A206-L456 HydrophobicContact CB-CB 4.28Å; A206-L456 HydrophobicContact CB-CD2 4.41Å; L207-L456 HydrophobicContact CD2-CD1 3.83Å; L207-L456 HydrophobicContact CD2-CD2 4.15Å; L207-L456 HydrophobicContact CG-CD1 4.13Å; Y210-L456 HydrophobicContact CD1-CD2 3.8Å; Y210-L456 HydrophobicContact CG-CD2 3.94Å; L355-L456 HydrophobicContact CD2-CD1 4Å; L355-L456 HydrophobicContact CD2-CD2 3.92Å; L355-L456 HydrophobicContact CD2-CG 3.76Å; I440-L456 HydrophobicContact CD1-CD1 3.7Å; V452-L456 HydrophobicContact CG1-CB 4.1Å; P453-L456 HydrophobicContact CB-CD1 4.27Å; P453-L456 HydrophobicContact CB-CG 4.26Å; P453-L456 HydrophobicContact CG-CD1 4.04Å; P453-L456 PolarHBondContact O-N 2.92Å; E454-L456 PolarHBondContact O-N 3.37Å; L456-E458 VanDerWaalsContact C-N 3.26Å; L456-E458 PolarHBondContact O-N 3.04Å; L456-F459 PolarHBondContact O-N 3.27Å; L456-M460 WeakPolarHBondContact O-CG 3.43Å; L456-M460 PolarHBondContact O-N 2.94Å
457R98.4Very high98Very high97 Ų9763.9 Ų63.937%0.36634%0.339SS..G310 helixtrans-60.3-33.5-172.7-56.3-170.3178.8171.9-1.7113.4V452 P453 E454 F459 M460 T465V452-R457 HydrophobicContact CB-CG 4.35Å; V452-R457 HydrophobicContact CG1-CG 3.91Å; V452-R457 PolarHBondContact O-NE 3.36Å; V452-R457 PolarHBondContact O-NH2 3.44Å; P453-R457 WeakPolarHBondContact O-CG 3.46Å; P453-R457 PolarHBondContact O-N 3Å; E454-R457 WeakPolarHBondContact O-CG 3.34Å; E454-R457 PolarHBondContact O-N 2.89Å; R457-F459 PolarHBondContact O-N 3.11Å; R457-M460 PolarHBondContact O-N 3.49Å; R457-T465 VanDerWaalsContact CD-O 3.22Å; R457-T465 WeakPolarHBondContact CD-O 3.5Å; R457-T465 WeakPolarHBondContact CG-O 3.44Å
458E97.9Very high98.1Very high127 Ų12756.5 Ų56.559%0.59330%0.3SS*.G310 helixtrans-65.3-20.5179.269.4164.1156.400113.5R213 L456R213-E458 IonicContact NH1-OE1 2.6Å; R213-E458 PolarHBondContact NH1-OE1 2.82Å; R213-E458 IonicContact NH1-OE2 2.72Å; R213-E458 PolarHBondContact NH1-OE2 2.62Å; L456-E458 VanDerWaalsContact C-N 3.26Å; L456-E458 PolarHBondContact O-N 3.04Å
459F98.3Very high98.1Very high37 Ų3756.5 Ų56.516%0.16230%0.298CS..G310 helixtrans-102.3-8-179.1-50.6-78.2000113.1A206 N209 Y210 R213 K455 L456 R457A206-F459 HydrophobicContact CB-CB 3.58Å; A206-F459 HydrophobicContact CB-CD2 4.48Å; A206-F459 HydrophobicContact CB-CG 4.4Å; N209-F459 HydrophobicContact CB-CD1 3.57Å; N209-F459 HydrophobicContact CB-CE1 3.67Å; N209-F459 HydrophobicContact CB-CG 4.24Å; N209-F459 HydrophobicContact CB-CZ 4.43Å; Y210-F459 AromaticContact CD2-CE2 3.87Å; Y210-F459 HydrophobicContact CD2-CE2 3.87Å; Y210-F459 HydrophobicContact CD2-CZ 4.31Å; Y210-F459 HydrophobicContact CG-CE2 4.15Å; R213-F459 VanDerWaalsContact CZ-CE1 3.42Å; K455-F459 WeakPolarHBondContact O-CE2 3.44Å; L456-F459 PolarHBondContact O-N 3.27Å; R457-F459 PolarHBondContact O-N 3.11Å
460M98.5Very high98.1Very high12 Ų1258.5 Ų58.56%0.05931%0.307CS..SBendtrans-83.4146179.6-67.7-61.2-74.500110.7F202 L203 A206 V452 L456 R457 L464 T465 I468F202-M460 HydrophobicContact CB-CE 4.06Å; F202-M460 HydrophobicContact CB-SD 4.15Å; L203-M460 HydrophobicContact CD1-SD 4.47Å; A206-M460 HydrophobicContact CB-CG 4.47Å; A206-M460 HydrophobicContact CB-SD 3.89Å; V452-M460 HydrophobicContact CG1-CG 3.86Å; V452-M460 HydrophobicContact CG2-CE 4.48Å; L456-M460 WeakPolarHBondContact O-CG 3.43Å; L456-M460 PolarHBondContact O-N 2.94Å; R457-M460 PolarHBondContact O-N 3.49Å; M460-L464 HydrophobicContact CE-CB 3.96Å; M460-T465 HydrophobicContact CB-CG2 4.21Å; M460-I468 HydrophobicContact CE-CD1 4.26Å
461P98.1Very high98.1Very high31 Ų3163.4 Ų63.420%0.20134%0.336CS..PPolyproline II helixtrans-69.3155.7176.630.9-36.8000111.4F202 G463 L464F202-P461 HydrophobicContact CB-CG 4.21Å; F202-P461 HydrophobicContact CD1-CB 4.48Å; F202-P461 HydrophobicContact CD1-CG 3.78Å; F202-P461 HydrophobicContact CD2-CG 3.75Å; F202-P461 HydrophobicContact CE1-CB 4.37Å; F202-P461 HydrophobicContact CE1-CG 4.02Å; F202-P461 HydrophobicContact CE2-CG 3.98Å; F202-P461 HydrophobicContact CG-CG 3.64Å; F202-P461 HydrophobicContact CZ-CG 4.11Å; P461-G463 PolarHBondContact O-N 2.95Å; P461-L464 HydrophobicContact CG-CB 4.2Å; P461-L464 HydrophobicContact CG-CD1 4Å; P461-L464 HydrophobicContact CG-CG 4.45Å; P461-L464 PolarHBondContact O-N 2.84Å
462P97.2Very high98Very high130 Ų13065.4 Ų65.484%0.84434%0.341SS*.THydrogen-bonded Turntrans-51135.3173.1-26.134.5000112.1L464P462-L464 VanDerWaalsContact C-N 3.34Å
463G95.3Very high97.9Very high73 Ų7368.8 Ų68.875%0.75336%0.364SS*.THydrogen-bonded Turntrans89.3-11.6-176.800000115.1P461P461-G463 PolarHBondContact O-N 2.95Å
464L97.6Very high97.7Very high43 Ų4368.9 Ų68.923%0.22537%0.365CS..SBendtrans-121.715.7171.9-64178.1000112.6P199 F202 V452 M460 P461 P462P199-L464 HydrophobicContact CB-CD1 4.09Å; F202-L464 HydrophobicContact CD2-CD1 4.08Å; V452-L464 WeakPolarHBondContact CG2-O 3.41Å; M460-L464 HydrophobicContact CE-CB 3.96Å; P461-L464 HydrophobicContact CG-CB 4.2Å; P461-L464 HydrophobicContact CG-CD1 4Å; P461-L464 HydrophobicContact CG-CG 4.45Å; P461-L464 PolarHBondContact O-N 2.84Å; P462-L464 VanDerWaalsContact C-N 3.34Å
465T97.1Very high97.4Very high46 Ų4662.8 Ų62.828%0.28234%0.338SS..SBendtrans-78.6-27.4-175.448.80000113.8R457 M460R457-T465 VanDerWaalsContact CD-O 3.22Å; R457-T465 WeakPolarHBondContact CD-O 3.5Å; R457-T465 WeakPolarHBondContact CG-O 3.44Å; M460-T465 HydrophobicContact CB-CG2 4.21Å
466E97.9Very high97Very high135 Ų13561.7 Ų61.763%0.63134%0.335SS*.SBendtrans-105.9-48.3-175-65.6-177.4174.900112.5V452V452-E466 PolarHBondContact N-O 3.41Å
467I98.5Very high96.5Very high36 Ų3664.9 Ų64.919%0.18535%0.352CS..EExtended strand (participates in β ladder)trans-146.8138.5-176.7-167.3170.4000110.9E448 I450 V451 K469E448-I467 HydrophobicContact CB-CD1 4.01Å; I450-I467 CarbonylContact O-C 3.58Å; I450-I467 WeakPolarHBondContact O-CA 3.33Å; I450-I467 WeakPolarHBondContact O-CG1 3.4Å; V451-I467 HydrophobicContact CG2-CD1 4.45Å; I467-K469 HydrophobicContact CG2-CG 4.14Å
468I98.7Very high96Very high4 Ų464.7 Ų64.72%0.02136%0.356CS..EExtended strand (participates in β ladder)trans-95.4103.1168.7-57.6167.8000107.1I177 P199 L203 G449 I450 V452 M460I177-I468 HydrophobicContact CB-CG2 3.87Å; I177-I468 HydrophobicContact CD1-CG2 4.24Å; I177-I468 HydrophobicContact CG2-CG2 3.86Å; P199-I468 HydrophobicContact CB-CD1 4.27Å; P199-I468 HydrophobicContact CB-CG1 4.28Å; P199-I468 HydrophobicContact CB-CG2 3.48Å; P199-I468 VanDerWaalsContact CB-CG2 3.48Å; P199-I468 HydrophobicContact CG-CG2 3.76Å; L203-I468 HydrophobicContact CD2-CD1 4.45Å; G449-I468 CarbonylContact C-O 3.52Å; G449-I468 VanDerWaalsContact CA-O 3.25Å; G449-I468 WeakPolarHBondContact CA-O 3.24Å; I450-I468 HydrophobicContact CB-CB 4.35Å; I450-I468 PolarHBondContact N-O 3.41Å; I450-I468 PolarHBondContact O-N 2.84Å; V452-I468 HydrophobicContact CG2-CD1 4.23Å; V452-I468 HydrophobicContact CG2-CG1 3.96Å; M460-I468 HydrophobicContact CE-CD1 4.26Å
469K98.5Very high95.2Very high130 Ų13063 Ų6357%0.56535%0.348SS*.EExtended strand (participates in β ladder)trans-71.3149.6-173.9-65.2-171.8175.8-172.80112.8E448 I467E448-K469 WeakPolarHBondContact O-CA 3.41Å; I467-K469 HydrophobicContact CG2-CG 4.14Å
470F98.6Very high94.1Very high42 Ų4267.4 Ų67.418%0.18437%0.371CS..  trans-70.8132.3166.7-60.8-45.6000110.8L173 M176 I177 T446 E448 I450L173-F470 HydrophobicContact CD2-CE1 3.71Å; L173-F470 HydrophobicContact CD2-CZ 3.62Å; M176-F470 HydrophobicContact CB-CD1 3.44Å; M176-F470 VanDerWaalsContact CB-CD1 3.44Å; M176-F470 HydrophobicContact CB-CE1 3.86Å; M176-F470 HydrophobicContact CB-CG 4.18Å; M176-F470 HydrophobicContact CE-CD1 3.83Å; M176-F470 HydrophobicContact CE-CD2 3.75Å; M176-F470 HydrophobicContact CE-CE1 3.8Å; M176-F470 HydrophobicContact CE-CE2 3.7Å; M176-F470 HydrophobicContact CE-CG 3.81Å; M176-F470 HydrophobicContact CE-CZ 3.73Å; M176-F470 WeakPolarHBondContact O-CA 3.45Å; M176-F470 HydrophobicContact SD-CE1 4.31Å; I177-F470 HydrophobicContact CG2-CD1 3.7Å; I177-F470 HydrophobicContact CG2-CE1 3.96Å; T446-F470 WeakPolarHBondContact O-CE2 3.3Å; E448-F470 PolarHBondContact O-N 2.66Å; I450-F470 HydrophobicContact CD1-CE1 3.97Å; I450-F470 HydrophobicContact CD1-CZ 4.06Å; I450-F470 HydrophobicContact CG1-CE1 4.28Å
471V98.3Very high92.8Very high103 Ų10370.3 Ų70.362%0.62439%0.392SS*.  trans-125.2-8.1179.8-630000112.3M176 D178M176-V471 PolarHBondContact O-N 3.02Å; D178-V471 HydrophobicContact CB-CG2 3.67Å
472K97.3Very high91.4Very high84 Ų8476.4 Ų76.437%0.36542%0.415SS..SBendtrans-130.3149.7176.5-74.1178.1174179.70110.2V175 M176 D178V175-K472 WeakPolarHBondContact O-CD 3.41Å; M176-K472 PolarHBondContact O-N 3.34Å; D178-K472 HydrophobicContact CB-CD 3.99Å; D178-K472 VanDerWaalsContact CG-NZ 3.28Å; D178-K472 WeakPolarHBondContact OD1-CE 3.47Å; D178-K472 IonicContact OD1-NZ 3.42Å; D178-K472 PolarHBondContact OD1-NZ 3.25Å; D178-K472 IonicContact OD2-NZ 3.6Å
473P95.7Very high89.6Confident73 Ų7377.9 Ų77.947%0.47441%0.408SS..  trans-65.3157171.929.7-35.9000111.2Q478P473-Q478 HydrophobicContact CB-CG 4.23Å; P473-Q478 HydrophobicContact CG-CG 4.21Å
474A94.1Very high87.6Confident3 Ų377.3 Ų77.33%0.02540%0.402CS..  trans-68.2130.3175.200000110.6Y168 M176 I476 D477 Q478Y168-A474 HydrophobicContact CD1-CB 3.96Å; Y168-A474 HydrophobicContact CE1-CB 3.36Å; M176-A474 HydrophobicContact CE-CB 4.14Å; M176-A474 HydrophobicContact CG-CB 4.05Å; M176-A474 HydrophobicContact SD-CB 3.58Å; M176-A474 VanDerWaalsContact SD-CB 3.58Å; A474-I476 VanDerWaalsContact C-N 3.29Å; A474-I476 HydrophobicContact CB-CG2 4.22Å; A474-I476 PolarHBondContact O-N 2.99Å; A474-D477 HydrophobicContact CB-CB 4.23Å; A474-D477 WeakPolarHBondContact CB-OD2 3.37Å; A474-D477 PolarHBondContact O-N 2.96Å; A474-Q478 PolarHBondContact O-N 3.03Å
475P92.1Very high85.3Confident17 Ų1782 Ų8211%0.1143%0.427CS..Hα-helixtrans-55.2-42.5176.9-2835.8000113.3V175 D477 Q478 E479V175-P475 HydrophobicContact CB-CG 3.81Å; V175-P475 HydrophobicContact CG1-CG 3.79Å; V175-P475 HydrophobicContact CG2-CG 4.04Å; P475-D477 VanDerWaalsContact C-N 3.33Å; P475-D477 PolarHBondContact O-N 3.18Å; P475-Q478 WeakPolarHBondContact O-CB 3.5Å; P475-Q478 PolarHBondContact O-N 3.2Å; P475-E479 PolarHBondContact O-N 3.39Å
476I89.6Confident82.8Confident72 Ų7287.8 Ų87.837%0.36945%0.449SS..Hα-helixtrans-59.7-40.5178.8-165.2167.5000113Y168 D172 A474 Q478 E479 M480Y168-I476 HydrophobicContact CD1-CG2 4.06Å; Y168-I476 HydrophobicContact CE1-CG2 3.99Å; D172-I476 PolarHBondContact OD1-N 3.4Å; A474-I476 VanDerWaalsContact C-N 3.29Å; A474-I476 HydrophobicContact CB-CG2 4.22Å; A474-I476 PolarHBondContact O-N 2.99Å; I476-Q478 VanDerWaalsContact C-N 3.3Å; I476-Q478 PolarHBondContact O-N 3.42Å; I476-E479 PolarHBondContact O-N 3.29Å; I476-M480 WeakPolarHBondContact O-CG 3.36Å; I476-M480 PolarHBondContact O-N 3.33Å
477D89.4Confident80.3Confident67 Ų6786.9 Ų86.936%0.35846%0.455SS..Hα-helixtrans-66.8-35.9179.2-65.2-20000110.7Y168 A474 P475 S481Y168-D477 PolarHBondContact OH-OD2 3.13Å; A474-D477 HydrophobicContact CB-CB 4.23Å; A474-D477 WeakPolarHBondContact CB-OD2 3.37Å; A474-D477 PolarHBondContact O-N 2.96Å; P475-D477 VanDerWaalsContact C-N 3.33Å; P475-D477 PolarHBondContact O-N 3.18Å; D477-S481 PolarHBondContact O-N 3.45Å
478Q88.1Confident77.9Confident94 Ų9491.4 Ų91.444%0.43948%0.484SS..Hα-helixtrans-72.1-34176.1-63-174.3-51.300113.2P473 A474 P475 I476 S481 K482P473-Q478 HydrophobicContact CB-CG 4.23Å; P473-Q478 HydrophobicContact CG-CG 4.21Å; A474-Q478 PolarHBondContact O-N 3.03Å; P475-Q478 WeakPolarHBondContact O-CB 3.5Å; P475-Q478 PolarHBondContact O-N 3.2Å; I476-Q478 VanDerWaalsContact C-N 3.3Å; I476-Q478 PolarHBondContact O-N 3.42Å; Q478-S481 PolarHBondContact O-OG 3.25Å; Q478-K482 WeakPolarHBondContact O-CG 3.37Å; Q478-K482 PolarHBondContact O-N 3.04Å
479E81.3Confident75.2Confident90 Ų9096.3 Ų96.342%0.42152%0.516SS..Hα-helixtrans-69-40.4173.6-73.9-178.8-159.700111.2R313 P475 I476 K482 K483R313-E479 IonicContact NH1-OE1 3.74Å; R313-E479 IonicContact NH2-OE1 3.56Å; P475-E479 PolarHBondContact O-N 3.39Å; I476-E479 PolarHBondContact O-N 3.29Å; E479-K482 PolarHBondContact O-N 3.32Å; E479-K483 PolarHBondContact O-N 3.28Å
480M75.4Confident72.6Confident131 Ų13195.3 Ų95.365%0.64553%0.526SS*.Hα-helixtrans-65.9-41.8177.3-72.8-175.169.900112.1I476 K482 K483 G484I476-M480 WeakPolarHBondContact O-CG 3.36Å; I476-M480 PolarHBondContact O-N 3.33Å; M480-K482 VanDerWaalsContact C-N 3.33Å; M480-K482 PolarHBondContact O-N 3.43Å; M480-K483 PolarHBondContact O-N 3.27Å; M480-G484 PolarHBondContact O-N 3.38Å
481S71Confident70.2Confident72 Ų72100.2 Ų100.250%0.50356%0.559SS.*Hα-helixtrans-62.8-39.2177.170.40000112.1D477 Q478 K483 G484D477-S481 PolarHBondContact O-N 3.45Å; Q478-S481 PolarHBondContact O-OG 3.25Å; S481-K483 VanDerWaalsContact C-N 3.3Å; S481-K483 PolarHBondContact O-N 3.3Å; S481-G484 PolarHBondContact O-N 3.21Å
482K68.8Low67.8Low160 Ų160100.3 Ų100.370%0.69656%0.564SS**Hα-helixtrans-67.1-26.3176.8-73.9176.4-178177.10113.8Q478 E479 M480Q478-K482 WeakPolarHBondContact O-CG 3.37Å; Q478-K482 PolarHBondContact O-N 3.04Å; E479-K482 PolarHBondContact O-N 3.32Å; M480-K482 VanDerWaalsContact C-N 3.33Å; M480-K482 PolarHBondContact O-N 3.43Å
483K59.3Low65.1Low160 Ų160104.7 Ų104.770%0.69662%0.616SS**Hα-helixtrans-83-20.7176.5-75.1-179.4179.7173.30113.3E479 M480 S481E479-K483 PolarHBondContact O-N 3.28Å; M480-K483 PolarHBondContact O-N 3.27Å; S481-K483 VanDerWaalsContact C-N 3.3Å; S481-K483 PolarHBondContact O-N 3.3Å
484G51.8Low63.6Low61 Ų61106.3 Ų106.363%0.62962%0.623SS**Hα-helixtrans-77.8-14178.900000115.4M480 S481 F486M480-G484 PolarHBondContact O-N 3.38Å; S481-G484 PolarHBondContact O-N 3.21Å; G484-F486 PolarHBondContact O-N 3.49Å
485D49.9Very low62Low141 Ų141111.7 Ų111.775%0.75465%0.654SS**THydrogen-bonded Turntrans-91.615.7-174.1-85.2-19.6000114.9P487D485-P487 WeakPolarHBondContact O-CD 3.37Å
486F45.3Very low60.3Low169 Ų169116.9 Ų116.974%0.74168%0.684SS**SBendtrans-78.8117.8169.3-78.3-82.7000110G484 V488G484-F486 PolarHBondContact O-N 3.49Å; F486-V488 PolarHBondContact O-N 3.2Å
487P44.9Very low58.6Low116 Ų116119.6 Ų119.675%0.75370%0.703SS**PPolyproline II helixtrans-64.6122.9178.125-30.6000109.4D485D485-P487 WeakPolarHBondContact O-CD 3.37Å
488V46.8Very low56.7Low131 Ų131122.9 Ų122.979%0.79472%0.724SS**PPolyproline II helixtrans-57123.2164.5-175.60000106.6F486 S490F486-V488 PolarHBondContact O-N 3.2Å; V488-S490 PolarHBondContact O-N 2.99Å; V488-S490 VanDerWaalsContact O-N 3.08Å
489P43.6Very low54.6Low106 Ų106124.8 Ų124.869%0.68874%0.743SS**PPolyproline II helixtrans-61.6121176.25.6-0.8000107.9V491P489-V491 PolarHBondContact O-N 3.08Å
490S42.4Very low52.7Low110 Ų110127.3 Ų127.377%0.76977%0.766SS**  trans-60.2106.5172.155.50000108.4V488 S492V488-S490 PolarHBondContact O-N 2.99Å; V488-S490 VanDerWaalsContact O-N 3.08Å; S490-S492 VanDerWaalsContact C-N 3.32Å; S490-S492 PolarHBondContact O-N 3.07Å
491V49.8Very low50.9Low145 Ų145127 Ų12788%0.87978%0.776SS**  trans-74.893.4165.3-175.40000106.3P489P489-V491 PolarHBondContact O-N 3.08Å
492S47.5Very low49.3Very low104 Ų104131.6 Ų131.673%0.72780%0.798SS**  trans-86.6135.8162.556.70000109.2S490S490-S492 VanDerWaalsContact C-N 3.32Å; S490-S492 PolarHBondContact O-N 3.07Å
493A41Very low47.5Very low176 Ų176129 Ų129100%1.45581%0.808SS**  trans-44.70-172.200000117.5

Retrieved 493 of 493 residues in 152.2 ms (Link to these results)

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