A0A3Q0KNM2_SCHMA Loading...

Lactamase_B domain-containing protein

AlphaFold DB , UniProt , Accession A0A3Q0KNM2, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 1,008 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
1M92.5Very high89.3Confident57 Ų5714.3 Ų14.328%0.2817%0.073SC..  0135.10173.9-80.3-79.300107.5R3 L16 R17 Q733 L734M1-R3 HydrophobicContact SD-CB 4.32Å; M1-L16 CarbonylContact O-C 3.55Å; M1-L16 WeakPolarHBondContact O-CA 3.43Å; M1-L16 WeakPolarHBondContact O-CD1 3.25Å; M1-R17 HydrophobicContact CB-CB 4.43Å; M1-R17 HydrophobicContact CE-CB 3.99Å; M1-R17 PolarHBondContact N-O 3.17Å; M1-R17 PolarHBondContact O-N 2.69Å; M1-Q733 HydrophobicContact CG-CG 3.53Å; M1-Q733 HydrophobicContact SD-CG 3.68Å; M1-L734 CarbonylContact C-O 3.57Å; M1-L734 VanDerWaalsContact CA-O 3.28Å; M1-L734 WeakPolarHBondContact CA-O 3.38Å
2L96.3Very high89.6Confident4 Ų413.3 Ų13.32%0.0217%0.068CC..EExtended strand (participates in β ladder)trans-126.2137.3175.4-175.672.6000109.3Y14 L15 L16 I262 I699 I728 Q733 L734L2-Y14 HydrophobicContact CD1-CD1 4.11Å; L2-Y14 HydrophobicContact CD1-CG 4.41Å; L2-Y14 HydrophobicContact CD2-CD1 4.19Å; L2-Y14 HydrophobicContact CG-CD1 4.16Å; L2-L15 CarbonylContact C-O 3.55Å; L2-L15 WeakPolarHBondContact CA-O 3.41Å; L2-L16 HydrophobicContact CD1-CB 3.88Å; L2-L16 HydrophobicContact CD1-CD1 4.28Å; L2-I262 HydrophobicContact CD1-CD1 4.27Å; L2-I262 HydrophobicContact CD2-CD1 4.23Å; L2-I262 HydrophobicContact CD2-CG2 3.83Å; L2-I699 HydrophobicContact CD2-CD1 3.69Å; L2-I699 HydrophobicContact CD2-CG2 4.01Å; L2-I728 HydrophobicContact CB-CD1 4.39Å; L2-I728 HydrophobicContact CD2-CD1 3.84Å; L2-I728 HydrophobicContact CG-CD1 3.92Å; L2-Q733 CarbonylContact O-C 3.57Å; L2-Q733 WeakPolarHBondContact O-CA 3.45Å; L2-L734 PolarHBondContact N-O 3.25Å; L2-L734 PolarHBondContact O-N 3.14Å
3R95.3Very high90Very high30 Ų3012.3 Ų12.311%0.1136%0.063CC..EExtended strand (participates in β ladder)trans-131.1133.7170.5179-177.6167.2-172.2-4.1109.7M1 L5 Y14 L15 E86 S89 H731 Q732 Q733M1-R3 HydrophobicContact SD-CB 4.32Å; R3-L5 HydrophobicContact CG-CD2 3.97Å; R3-Y14 CarbonylContact O-C 3.1Å; R3-Y14 WeakPolarHBondContact O-CA 3.31Å; R3-L15 HydrophobicContact CB-CB 4.5Å; R3-L15 PolarHBondContact N-O 2.68Å; R3-L15 PolarHBondContact O-N 2.89Å; R3-E86 IonicContact CZ-OE2 3.23Å; R3-E86 IonicContact NE-OE2 2.71Å; R3-E86 IonicContact NH2-OE2 3.72Å; R3-E86 PolarHBondContact NH2-OE2 3.43Å; R3-S89 PolarHBondContact NH1-OG 3.28Å; R3-S89 PolarHBondContact NH2-OG 2.89Å; R3-H731 PolarHBondContact NH2-CE1 3.25Å; R3-H731 VanDerWaalsContact NH2-CE1 3.3Å; R3-Q732 WeakPolarHBondContact CA-O 3.43Å; R3-Q733 HydrophobicContact CB-CB 4.48Å
4R93.9Very high90.4Very high2 Ų211.6 Ų11.61%0.0086%0.059CC..EExtended strand (participates in β ladder)trans-87.6130.2173.5-178.3174.4166.6-167.7-1.5110.2N6 T7 D8 Y14 E703 I728 H731R4-N6 PolarHBondContact NE-O 3.39Å; R4-T7 PolarHBondContact NH2-O 3.44Å; R4-D8 PolarHBondContact NH2-O 2.95Å; R4-Y14 HydrophobicContact CB-CD1 3.8Å; R4-Y14 HydrophobicContact CB-CE1 3.57Å; R4-Y14 HydrophobicContact CG-CD1 4.16Å; R4-Y14 HydrophobicContact CG-CE1 3.66Å; R4-E703 IonicContact CZ-OE1 3.42Å; R4-E703 VanDerWaalsContact CZ-OE1 3.28Å; R4-E703 IonicContact CZ-OE2 3.55Å; R4-E703 VanDerWaalsContact NH1-CD 3.27Å; R4-E703 IonicContact NH1-OE1 2.96Å; R4-E703 PolarHBondContact NH1-OE1 3.21Å; R4-E703 IonicContact NH1-OE2 2.7Å; R4-E703 PolarHBondContact NH1-OE2 3.38Å; R4-E703 IonicContact NH2-OE1 3.49Å; R4-E703 PolarHBondContact NH2-OE1 2.95Å; R4-E703 IonicContact NH2-OE2 3.96Å; R4-I728 HydrophobicContact CB-CD1 4.15Å; R4-I728 HydrophobicContact CB-CG1 4.12Å; R4-I728 PolarHBondContact NH1-O 2.93Å; R4-H731 PolarHBondContact O-N 3.44Å
5L91.9Very high90.9Very high0 Ų012.3 Ų12.30%06%0.063CC..  trans-107.9-25.1-172.1-56.1-179.3000114.2R3 C13 L15 L24 L82 E86 I90R3-L5 HydrophobicContact CG-CD2 3.97Å; L5-C13 HydrophobicContact CB-CB 4.38Å; L5-C13 WeakPolarHBondContact CB-O 3.25Å; L5-C13 PolarHBondContact N-O 3.35Å; L5-L15 HydrophobicContact CD1-CB 4.18Å; L5-L15 HydrophobicContact CD2-CB 4.48Å; L5-L15 HydrophobicContact CG-CB 4.48Å; L5-L24 HydrophobicContact CD1-CD1 3.7Å; L5-L82 HydrophobicContact CB-CD1 4.49Å; L5-L82 HydrophobicContact CB-CD2 4.21Å; L5-L82 WeakPolarHBondContact O-CD2 3.35Å; L5-E86 WeakPolarHBondContact O-CG 3.37Å; L5-I90 HydrophobicContact CD1-CD1 3.56Å; L5-I90 HydrophobicContact CD2-CD1 3.88Å; L5-I90 HydrophobicContact CG-CD1 4.31Å
6N86.8Confident91.2Very high11 Ų1112 Ų126%0.0596%0.061CC..  trans-98.4140.9175.7-158.4-12.8000111.4R4 D8 S11 C13 L82R4-N6 PolarHBondContact NE-O 3.39Å; N6-D8 VanDerWaalsContact C-N 3.29Å; N6-D8 PolarHBondContact OD1-N 3.43Å; N6-S11 WeakPolarHBondContact CB-O 3.48Å; N6-S11 WeakPolarHBondContact ND2-CB 3.45Å; N6-S11 PolarHBondContact ND2-O 3.03Å; N6-C13 HydrophobicContact CB-CB 4.13Å; N6-L82 HydrophobicContact CB-CD2 4.09Å
7T81Confident91.4Very high19 Ų1917.3 Ų17.312%0.1178%0.08CC..SBendtrans-68.5-29.6171.640.90000112.5R4 K83 Y730R4-T7 PolarHBondContact NH2-O 3.44Å; T7-K83 HydrophobicContact CG2-CD 4.06Å; T7-Y730 HydrophobicContact CG2-CD1 3.81Å; T7-Y730 HydrophobicContact CG2-CD2 3.48Å; T7-Y730 VanDerWaalsContact CG2-CD2 3.48Å; T7-Y730 HydrophobicContact CG2-CE1 3.89Å; T7-Y730 HydrophobicContact CG2-CE2 3.53Å; T7-Y730 HydrophobicContact CG2-CG 3.61Å
8D82.4Confident91.4Very high7 Ų716.7 Ų16.74%0.0378%0.078CC..  trans-73.4148.6177.6-174.219.6000111.6R4 N6 H10 S11 S619R4-D8 PolarHBondContact NH2-O 2.95Å; N6-D8 VanDerWaalsContact C-N 3.29Å; N6-D8 PolarHBondContact OD1-N 3.43Å; D8-H10 VanDerWaalsContact CG-N 3.27Å; D8-H10 IonicContact OD1-CD2 2.67Å; D8-H10 PolarHBondContact OD1-N 3.01Å; D8-H10 WeakPolarHBondContact OD2-CB 3.45Å; D8-H10 PolarHBondContact OD2-N 3.08Å; D8-S11 WeakPolarHBondContact OD2-CA 3.39Å; D8-S11 WeakPolarHBondContact OD2-CB 3.49Å; D8-S11 PolarHBondContact OD2-N 2.74Å; D8-S11 PolarHBondContact OD2-OG 3.15Å; D8-S619 VanDerWaalsContact CB-CB 3.42Å; D8-S619 WeakPolarHBondContact OD1-CB 3.28Å
9V85.7Confident90.8Very high7 Ų720.8 Ų20.84%0.0429%0.093CC..SBendtrans-96-19.2170.865.90000111.6T265 M268 P701 V704V9-T265 VanDerWaalsContact O-CB 3.24Å; V9-T265 WeakPolarHBondContact O-CB 3.37Å; V9-T265 PolarHBondContact O-OG1 3.24Å; V9-M268 HydrophobicContact CG1-CG 3.84Å; V9-P701 HydrophobicContact CG2-CB 3.63Å; V9-P701 HydrophobicContact CG2-CG 3.81Å; V9-V704 HydrophobicContact CG2-CG2 4.26Å
10H87.1Confident90.5Very high8 Ų825.4 Ų25.44%0.03712%0.118CC..SBendtrans-85.3-20.4175.3-65.7-103.9000113.2D8 P12 N267 M268 Y269 R678D8-H10 VanDerWaalsContact CG-N 3.27Å; D8-H10 IonicContact OD1-CD2 2.67Å; D8-H10 PolarHBondContact OD1-N 3.01Å; D8-H10 WeakPolarHBondContact OD2-CB 3.45Å; D8-H10 PolarHBondContact OD2-N 3.08Å; H10-P12 VanDerWaalsContact O-CD 3.23Å; H10-P12 WeakPolarHBondContact O-CD 3.28Å; H10-N267 PolarHBondContact CE1-OD1 3.05Å; H10-M268 PolarHBondContact CE1-N 2.86Å; H10-M268 VanDerWaalsContact CE1-N 3.28Å; H10-M268 PolarHBondContact NE2-N 2.83Å; H10-Y269 AromaticContact CD2-CE2 3.77Å; H10-Y269 AromaticContact CE1-CD2 3.26Å; H10-Y269 WeakPolarHBondContact CE1-CD2 3.41Å; H10-Y269 AromaticContact CE1-CE2 3.21Å; H10-Y269 WeakPolarHBondContact CE1-CE2 3.44Å; H10-Y269 AromaticContact ND1-CD2 3.98Å; H10-Y269 AromaticContact ND1-CE2 3.8Å; H10-Y269 AromaticContact NE2-CD2 3.69Å; H10-Y269 AromaticContact NE2-CE2 3.22Å; H10-Y269 WeakPolarHBondContact NE2-CE2 3.36Å; H10-Y269 AromaticContact NE2-CZ 3.58Å; H10-R678 PolarHBondContact O-NH1 3.17Å
11S89.6Confident90.6Very high12 Ų1224.3 Ų24.38%0.08411%0.113CC..SBendtrans-116.774-178.7-55.20000111.2N6 D8 C28N6-S11 WeakPolarHBondContact CB-O 3.48Å; N6-S11 WeakPolarHBondContact ND2-CB 3.45Å; N6-S11 PolarHBondContact ND2-O 3.03Å; D8-S11 WeakPolarHBondContact OD2-CA 3.39Å; D8-S11 WeakPolarHBondContact OD2-CB 3.49Å; D8-S11 PolarHBondContact OD2-N 2.74Å; D8-S11 PolarHBondContact OD2-OG 3.15Å; S11-C28 VanDerWaalsContact CA-CB 3.49Å
12P92.4Very high90.7Very high2 Ų222.8 Ų22.81%0.01311%0.106CC..  trans-59.7142.9-176.625.6-36000113.4H10 Y14 D26 C28 T265H10-P12 VanDerWaalsContact O-CD 3.23Å; H10-P12 WeakPolarHBondContact O-CD 3.28Å; P12-Y14 HydrophobicContact CB-CD2 4.24Å; P12-Y14 HydrophobicContact CB-CE2 3.86Å; P12-D26 HydrophobicContact CB-CB 4.39Å; P12-D26 HydrophobicContact CG-CB 4.23Å; P12-D26 WeakPolarHBondContact O-CB 3.4Å; P12-C28 PolarHBondContact O-N 3.12Å; P12-T265 HydrophobicContact CG-CG2 3.97Å
13C94.8Very high90.8Very high1 Ų122.6 Ų22.61%0.00711%0.105CC..  trans-160.2116169.4-176.20000107.7L5 N6 L25 D26 L82L5-C13 HydrophobicContact CB-CB 4.38Å; L5-C13 WeakPolarHBondContact CB-O 3.25Å; L5-C13 PolarHBondContact N-O 3.35Å; N6-C13 HydrophobicContact CB-CB 4.13Å; C13-L25 WeakPolarHBondContact CA-O 3.4Å; C13-D26 PolarHBondContact SG-O 3.29Å; C13-L82 HydrophobicContact CB-CD2 4.28Å
14Y96.4Very high90.9Very high2 Ų221.1 Ų21.11%0.00810%0.1CC..EExtended strand (participates in β ladder)trans-135.1140-174.6-66.7-99.9000112.2L2 R3 R4 P12 L24 L25 Y236 G264 I728L2-Y14 HydrophobicContact CD1-CD1 4.11Å; L2-Y14 HydrophobicContact CD1-CG 4.41Å; L2-Y14 HydrophobicContact CD2-CD1 4.19Å; L2-Y14 HydrophobicContact CG-CD1 4.16Å; R3-Y14 CarbonylContact O-C 3.1Å; R3-Y14 WeakPolarHBondContact O-CA 3.31Å; R4-Y14 HydrophobicContact CB-CD1 3.8Å; R4-Y14 HydrophobicContact CB-CE1 3.57Å; R4-Y14 HydrophobicContact CG-CD1 4.16Å; R4-Y14 HydrophobicContact CG-CE1 3.66Å; P12-Y14 HydrophobicContact CB-CD2 4.24Å; P12-Y14 HydrophobicContact CB-CE2 3.86Å; Y14-L24 CarbonylContact O-C 3.59Å; Y14-L24 WeakPolarHBondContact O-CA 3.24Å; Y14-L25 PolarHBondContact N-O 2.81Å; Y14-L25 PolarHBondContact O-N 3.48Å; Y14-Y236 HydrophobicContact CD2-CE2 4.25Å; Y14-G264 WeakPolarHBondContact CE2-O 3.28Å; Y14-G264 PolarHBondContact OH-O 3.07Å; Y14-I728 HydrophobicContact CE1-CG2 3.91Å
15L96.8Very high91.1Very high22 Ų2221 Ų2112%0.11510%0.099CC..EExtended strand (participates in β ladder)trans-96.6112.6168.9-175.565.3000109.6L2 R3 L5 I95L2-L15 CarbonylContact C-O 3.55Å; L2-L15 WeakPolarHBondContact CA-O 3.41Å; R3-L15 HydrophobicContact CB-CB 4.5Å; R3-L15 PolarHBondContact N-O 2.68Å; R3-L15 PolarHBondContact O-N 2.89Å; L5-L15 HydrophobicContact CD1-CB 4.18Å; L5-L15 HydrophobicContact CD2-CB 4.48Å; L5-L15 HydrophobicContact CG-CB 4.48Å; L15-I95 HydrophobicContact CD1-CD1 4.25Å; L15-I95 HydrophobicContact CD1-CG1 4.17Å
16L96.9Very high91.4Very high8 Ų821 Ų214%0.04210%0.099CC..EExtended strand (participates in β ladder)trans-110.5111177.6170.959000110M1 L2 I18 L23 L25 I227 V234 I262M1-L16 CarbonylContact O-C 3.55Å; M1-L16 WeakPolarHBondContact O-CA 3.43Å; M1-L16 WeakPolarHBondContact O-CD1 3.25Å; L2-L16 HydrophobicContact CD1-CB 3.88Å; L2-L16 HydrophobicContact CD1-CD1 4.28Å; L16-I18 HydrophobicContact CD1-CD1 4.29Å; L16-I18 HydrophobicContact CD1-CG1 3.85Å; L16-I18 HydrophobicContact CD2-CD1 3.92Å; L16-I18 HydrophobicContact CD2-CG1 4.32Å; L16-I18 HydrophobicContact CG-CD1 4.17Å; L16-I18 HydrophobicContact CG-CG1 4.01Å; L16-L23 HydrophobicContact CB-CB 4.38Å; L16-L23 HydrophobicContact CD2-CD1 4.29Å; L16-L23 PolarHBondContact N-O 3.11Å; L16-L23 WeakPolarHBondContact O-CB 3.24Å; L16-L23 PolarHBondContact O-N 2.76Å; L16-L25 HydrophobicContact CB-CD1 3.82Å; L16-L25 HydrophobicContact CB-CG 4.07Å; L16-L25 HydrophobicContact CD2-CD1 3.73Å; L16-L25 HydrophobicContact CD2-CD2 4.36Å; L16-L25 HydrophobicContact CD2-CG 4.42Å; L16-L25 HydrophobicContact CG-CD1 4.42Å; L16-I227 HydrophobicContact CD2-CD1 3.77Å; L16-V234 HydrophobicContact CD2-CG1 4.23Å; L16-I262 HydrophobicContact CD1-CD1 4.46Å; L16-I262 HydrophobicContact CD2-CD1 4.21Å
17R94.5Very high91.7Very high102 Ų10220.5 Ų20.539%0.38510%0.097SC..EExtended strand (participates in β ladder)trans-97.1119.6166.7-178.3179.6173.9154.1-0110.6M1 R19 D20 V21 N22M1-R17 HydrophobicContact CB-CB 4.43Å; M1-R17 HydrophobicContact CE-CB 3.99Å; M1-R17 PolarHBondContact N-O 3.17Å; M1-R17 PolarHBondContact O-N 2.69Å; R17-R19 PolarHBondContact NE-O 3.35Å; R17-D20 IonicContact CZ-OD1 3.28Å; R17-D20 IonicContact NH2-OD1 3.6Å; R17-D20 PolarHBondContact NH2-OD1 3.25Å; R17-V21 WeakPolarHBondContact CA-O 3.48Å; R17-N22 WeakPolarHBondContact CD-OD1 3.43Å; R17-N22 WeakPolarHBondContact CG-OD1 3.26Å
18I90.6Very high92.1Very high6 Ų619.7 Ų19.73%0.0319%0.092CC..EExtended strand (participates in β ladder)trans-114.2123.2168.6-62.4169000107.6L16 D20 V21 L209 I227 V234L16-I18 HydrophobicContact CD1-CD1 4.29Å; L16-I18 HydrophobicContact CD1-CG1 3.85Å; L16-I18 HydrophobicContact CD2-CD1 3.92Å; L16-I18 HydrophobicContact CD2-CG1 4.32Å; L16-I18 HydrophobicContact CG-CD1 4.17Å; L16-I18 HydrophobicContact CG-CG1 4.01Å; I18-D20 PolarHBondContact O-N 2.99Å; I18-V21 PolarHBondContact N-O 2.7Å; I18-V21 PolarHBondContact O-N 3Å; I18-L209 HydrophobicContact CB-CD1 4.25Å; I18-L209 HydrophobicContact CB-CD2 4.34Å; I18-L209 HydrophobicContact CG2-CD2 3.75Å; I18-I227 HydrophobicContact CD1-CB 4.42Å; I18-I227 HydrophobicContact CD1-CG2 3.79Å; I18-V234 HydrophobicContact CD1-CB 4.06Å; I18-V234 HydrophobicContact CD1-CG2 3.73Å; I18-V234 HydrophobicContact CG1-CG2 4.49Å
19R79.5Confident92.2Very high95 Ų9519.8 Ų19.836%0.3589%0.092SC..THydrogen-bonded Turntrans49.7-111.1-171.9-58.6176.1180-166.5-0.7110R17 S229 S230 T231 E232R17-R19 PolarHBondContact NE-O 3.35Å; R19-S229 PolarHBondContact NH2-OG 3.44Å; R19-S229 VanDerWaalsContact NH2-OG 3.13Å; R19-S230 PolarHBondContact NH1-OG 3.27Å; R19-S230 PolarHBondContact NH2-OG 2.83Å; R19-T231 PolarHBondContact NH2-OG1 2.83Å; R19-E232 IonicContact CZ-OE2 3.94Å; R19-E232 IonicContact NE-OE2 3Å; R19-E232 PolarHBondContact NE-OE2 2.8Å; R19-E232 IonicContact NH2-OE1 3.53Å; R19-E232 IonicContact NH2-OE2 3.72Å; R19-E232 PolarHBondContact NH2-OE2 2.99Å
20D85.5Confident92Very high113 Ų11320.1 Ų20.160%0.6049%0.094SC*.THydrogen-bonded Turntrans-111.47.1-178.5-62.5-50.5000114.7R17 I18R17-D20 IonicContact CZ-OD1 3.28Å; R17-D20 IonicContact NH2-OD1 3.6Å; R17-D20 PolarHBondContact NH2-OD1 3.25Å; I18-D20 PolarHBondContact O-N 2.99Å
21V92.5Very high92Very high3 Ų320.6 Ų20.62%0.01810%0.096CC..EExtended strand (participates in β ladder)trans-100.6131.9174.7-1700000110.1R17 I18 L23 D96 F206 L208 L209R17-V21 WeakPolarHBondContact CA-O 3.48Å; I18-V21 PolarHBondContact N-O 2.7Å; I18-V21 PolarHBondContact O-N 3Å; V21-L23 HydrophobicContact CG1-CD2 3.67Å; V21-L23 HydrophobicContact CG1-CG 4.38Å; V21-D96 HydrophobicContact CG1-CB 4.07Å; V21-F206 HydrophobicContact CG1-CE2 4.34Å; V21-F206 HydrophobicContact CG2-CD2 4.47Å; V21-L208 HydrophobicContact CG2-CB 4.02Å; V21-L208 HydrophobicContact CG2-CD1 3.83Å; V21-L209 HydrophobicContact CB-CD1 3.83Å; V21-L209 HydrophobicContact CG1-CD1 4.17Å; V21-L209 HydrophobicContact CG2-CD1 4.04Å; V21-L209 HydrophobicContact CG2-CG 4.35Å
22N95.6Very high91.6Very high24 Ų2420.1 Ų20.113%0.1289%0.093CC..EExtended strand (participates in β ladder)trans-107.2112.2178-48.9-83.2000109.4R17 T94 D96 V97R17-N22 WeakPolarHBondContact CD-OD1 3.43Å; R17-N22 WeakPolarHBondContact CG-OD1 3.26Å; N22-T94 VanDerWaalsContact CB-O 3.3Å; N22-T94 WeakPolarHBondContact CB-O 3.5Å; N22-T94 PolarHBondContact ND2-O 2.88Å; N22-T94 VanDerWaalsContact ND2-O 3.14Å; N22-D96 PolarHBondContact N-OD2 3.47Å; N22-D96 PolarHBondContact ND2-OD2 3.34Å; N22-D96 PolarHBondContact O-N 3.35Å; N22-V97 PolarHBondContact O-N 3.19Å
23L97.7Very high91.2Very high0 Ų020.6 Ų20.60%010%0.095CC..EExtended strand (participates in β ladder)trans-104.6132.5-179.3-49.8176.3000109.4L16 V21 L25 V97 L205 L209 I227L16-L23 HydrophobicContact CB-CB 4.38Å; L16-L23 HydrophobicContact CD2-CD1 4.29Å; L16-L23 PolarHBondContact N-O 3.11Å; L16-L23 WeakPolarHBondContact O-CB 3.24Å; L16-L23 PolarHBondContact O-N 2.76Å; V21-L23 HydrophobicContact CG1-CD2 3.67Å; V21-L23 HydrophobicContact CG1-CG 4.38Å; L23-L25 HydrophobicContact CB-CD2 4.16Å; L23-V97 CarbonylContact C-O 3.56Å; L23-V97 WeakPolarHBondContact CA-O 3.4Å; L23-V97 HydrophobicContact CD2-CB 3.75Å; L23-V97 HydrophobicContact CD2-CG1 4.31Å; L23-V97 HydrophobicContact CD2-CG2 4.27Å; L23-L205 HydrophobicContact CD2-CD1 4Å; L23-L209 HydrophobicContact CD1-CD1 4.25Å; L23-I227 HydrophobicContact CD1-CD1 3.83Å; L23-I227 HydrophobicContact CD1-CG1 4.5Å; L23-I227 HydrophobicContact CD1-CG2 4.03Å
24L97.8Very high90.8Very high0 Ų020.7 Ų20.70%010%0.096CC..EExtended strand (participates in β ladder)trans-92.9125.3161.6-167.874.5000108.4L5 Y14 C27 W92 I95 V97 I98 L99 L112L5-L24 HydrophobicContact CD1-CD1 3.7Å; Y14-L24 CarbonylContact O-C 3.59Å; Y14-L24 WeakPolarHBondContact O-CA 3.24Å; L24-C27 HydrophobicContact CD2-CB 4.41Å; L24-W92 HydrophobicContact CD2-CZ3 4.12Å; L24-I95 HydrophobicContact CB-CG2 4.02Å; L24-I95 HydrophobicContact CD1-CD1 4.39Å; L24-V97 PolarHBondContact N-O 3.45Å; L24-I98 HydrophobicContact CB-CB 4.37Å; L24-I98 HydrophobicContact CB-CG1 3.99Å; L24-I98 HydrophobicContact CB-CG2 4.29Å; L24-I98 HydrophobicContact CD2-CD1 4.08Å; L24-I98 HydrophobicContact CD2-CG1 4Å; L24-I98 HydrophobicContact CD2-CG2 4.14Å; L24-I98 CarbonylContact O-C 3.56Å; L24-I98 WeakPolarHBondContact O-CA 3.34Å; L24-L99 PolarHBondContact O-N 2.93Å; L24-L112 HydrophobicContact CD2-CD1 3.9Å
25L97.8Very high90.3Very high0 Ų020.7 Ų20.70%010%0.096CC..EExtended strand (participates in β ladder)trans-105.6111.6178.2-47.1176.8000108.9C13 Y14 L16 L23 L99 I227 Y236C13-L25 WeakPolarHBondContact CA-O 3.4Å; Y14-L25 PolarHBondContact N-O 2.81Å; Y14-L25 PolarHBondContact O-N 3.48Å; L16-L25 HydrophobicContact CB-CD1 3.82Å; L16-L25 HydrophobicContact CB-CG 4.07Å; L16-L25 HydrophobicContact CD2-CD1 3.73Å; L16-L25 HydrophobicContact CD2-CD2 4.36Å; L16-L25 HydrophobicContact CD2-CG 4.42Å; L16-L25 HydrophobicContact CG-CD1 4.42Å; L23-L25 HydrophobicContact CB-CD2 4.16Å; L25-L99 HydrophobicContact CD2-CB 4.23Å; L25-L99 HydrophobicContact CD2-CD1 3.85Å; L25-L99 HydrophobicContact CD2-CG 4.31Å; L25-I227 HydrophobicContact CD2-CD1 4.27Å; L25-Y236 HydrophobicContact CB-CD1 4.11Å; L25-Y236 HydrophobicContact CB-CD2 4.42Å; L25-Y236 HydrophobicContact CB-CE1 3.8Å; L25-Y236 HydrophobicContact CB-CE2 4.14Å; L25-Y236 HydrophobicContact CB-CG 4.41Å; L25-Y236 HydrophobicContact CD1-CD1 4.23Å; L25-Y236 HydrophobicContact CD1-CD2 3.61Å; L25-Y236 HydrophobicContact CD1-CE2 3.99Å; L25-Y236 HydrophobicContact CD1-CG 3.74Å
26D97.1Very high89.8Confident0 Ų019.8 Ų19.80%09%0.091CC..  trans56.4159.2-170.8-63.9-35.1000115.4P12 C13 L99 S101 S105 Y236 S238P12-D26 HydrophobicContact CB-CB 4.39Å; P12-D26 HydrophobicContact CG-CB 4.23Å; P12-D26 WeakPolarHBondContact O-CB 3.4Å; C13-D26 PolarHBondContact SG-O 3.29Å; D26-L99 PolarHBondContact N-O 3Å; D26-S101 VanDerWaalsContact CG-OG 3.25Å; D26-S101 WeakPolarHBondContact OD1-CB 3.44Å; D26-S101 PolarHBondContact OD1-N 2.87Å; D26-S101 PolarHBondContact OD1-OG 2.97Å; D26-S101 PolarHBondContact OD2-OG 2.87Å; D26-S105 WeakPolarHBondContact CB-OG 3.37Å; D26-S105 VanDerWaalsContact CG-OG 3.3Å; D26-S105 PolarHBondContact OD1-OG 3.16Å; D26-Y236 WeakPolarHBondContact OD2-CE1 3.33Å; D26-Y236 PolarHBondContact OD2-OH 3.37Å; D26-S238 VanDerWaalsContact OD2-CB 3.26Å; D26-S238 WeakPolarHBondContact OD2-CB 3.26Å; D26-S238 PolarHBondContact OD2-OG 3.08Å
27C93.7Very high89.3Confident0 Ų019.5 Ų19.50%09%0.089CC..  trans-145.755.5170.650.20000109.7L24 M81 S105 G108 L112L24-C27 HydrophobicContact CD2-CB 4.41Å; C27-M81 HydrophobicContact CB-CE 4.1Å; C27-M81 HydrophobicContact CB-SD 4.41Å; C27-S105 PolarHBondContact SG-O 2.89Å; C27-G108 WeakPolarHBondContact O-CA 3.31Å; C27-G108 PolarHBondContact O-N 3.24Å; C27-L112 HydrophobicContact CB-CD1 4.16Å
28C89.9Confident88.9Confident2 Ų215.9 Ų15.91%0.0148%0.077CC..  trans-62.1137.4175.3-74.80000111.6S11 P12 S105S11-C28 VanDerWaalsContact CA-CB 3.49Å; P12-C28 PolarHBondContact O-N 3.12Å; C28-S105 PolarHBondContact SG-OG 3.03Å
29M85.3Confident88.8Confident8 Ų817.1 Ų17.14%0.0399%0.086CC..  trans-96.8132.7169.6178-178.758.400110.2L31 F79 M81 L107 F111 F181M29-L31 HydrophobicContact CE-CD2 3.45Å; M29-L31 VanDerWaalsContact CE-CD2 3.45Å; M29-L31 HydrophobicContact CE-CG 4Å; M29-L31 PolarHBondContact O-N 3.24Å; M29-F79 HydrophobicContact CE-CD1 4.13Å; M29-F79 HydrophobicContact SD-CB 4.08Å; M29-F79 HydrophobicContact SD-CD1 3.95Å; M29-F79 HydrophobicContact SD-CG 4.44Å; M29-M81 HydrophobicContact CB-CG 4.41Å; M29-L107 HydrophobicContact CB-CB 4.31Å; M29-L107 HydrophobicContact CE-CB 4.21Å; M29-F111 HydrophobicContact SD-CD2 4.22Å; M29-F111 HydrophobicContact SD-CE2 3.56Å; M29-F111 VanDerWaalsContact SD-CE2 3.56Å; M29-F111 HydrophobicContact SD-CZ 4.47Å; M29-F181 HydrophobicContact CE-CE2 3.75Å; M29-F181 HydrophobicContact CE-CZ 4.46Å; M29-F181 HydrophobicContact SD-CE2 4.31Å
30D81.4Confident88.7Confident15 Ų1515.2 Ų15.28%0.088%0.08CC..  trans-81.893.5178.2-179.63.8000111.6S32 N33 S619D30-S32 VanDerWaalsContact C-N 3.33Å; D30-S32 VanDerWaalsContact OD1-CB 3.28Å; D30-S32 WeakPolarHBondContact OD1-CB 3.44Å; D30-S32 PolarHBondContact OD1-N 2.81Å; D30-S32 PolarHBondContact OD1-OG 3.2Å; D30-N33 PolarHBondContact O-ND2 3.24Å; D30-N33 PolarHBondContact OD1-ND2 2.78Å; D30-N33 PolarHBondContact OD2-ND2 2.65Å; D30-S619 WeakPolarHBondContact OD2-CB 3.42Å; D30-S619 PolarHBondContact OD2-OG 3.21Å
31L85.2Confident88Confident17 Ų1711.5 Ų11.59%0.0896%0.059CC..G310 helixtrans-71.8-21175.6-73.5176.1000113.8M29 N33 L34 F79 L107 L139 S573M29-L31 HydrophobicContact CE-CD2 3.45Å; M29-L31 VanDerWaalsContact CE-CD2 3.45Å; M29-L31 HydrophobicContact CE-CG 4Å; M29-L31 PolarHBondContact O-N 3.24Å; L31-N33 PolarHBondContact O-N 2.69Å; L31-L34 HydrophobicContact CB-CD1 4.48Å; L31-L34 HydrophobicContact CD2-CD1 3.88Å; L31-L34 VanDerWaalsContact O-CB 3.3Å; L31-L34 WeakPolarHBondContact O-CB 3.36Å; L31-L34 WeakPolarHBondContact O-CG 3.4Å; L31-L34 PolarHBondContact O-N 2.84Å; L31-F79 HydrophobicContact CD2-CD1 4.12Å; L31-F79 HydrophobicContact CD2-CE1 3.89Å; L31-L107 HydrophobicContact CD1-CD1 4.14Å; L31-L139 HydrophobicContact CD2-CD2 4.38Å; L31-S573 PolarHBondContact O-OG 3.04Å
32S82.5Confident86.4Confident2 Ų213.3 Ų13.31%0.0147%0.067CC..G310 helixtrans-58.4-26.9-172.973.40000113.3D30 L34 S35 P618D30-S32 VanDerWaalsContact C-N 3.33Å; D30-S32 VanDerWaalsContact OD1-CB 3.28Å; D30-S32 WeakPolarHBondContact OD1-CB 3.44Å; D30-S32 PolarHBondContact OD1-N 2.81Å; D30-S32 PolarHBondContact OD1-OG 3.2Å; S32-L34 PolarHBondContact O-N 3.43Å; S32-S35 VanDerWaalsContact O-CB 3.25Å; S32-S35 WeakPolarHBondContact O-CB 3.36Å; S32-S35 PolarHBondContact O-N 2.91Å; S32-S35 PolarHBondContact O-OG 2.75Å; S32-P618 WeakPolarHBondContact OG-CA 3.46Å
33N83.5Confident84.4Confident12 Ų1213.7 Ų13.76%0.0647%0.069CC..G310 helixtrans-61.4-21.2175.4-62.2-70.8000113.6D30 L31 S35 Y36 W178D30-N33 PolarHBondContact O-ND2 3.24Å; D30-N33 PolarHBondContact OD1-ND2 2.78Å; D30-N33 PolarHBondContact OD2-ND2 2.65Å; L31-N33 PolarHBondContact O-N 2.69Å; N33-S35 PolarHBondContact O-N 3.14Å; N33-Y36 WeakPolarHBondContact O-CD2 3.25Å; N33-Y36 PolarHBondContact O-N 2.87Å; N33-W178 HydrophobicContact CB-CH2 4.13Å
34L87.1Confident81.9Confident4 Ų420.8 Ų20.82%0.02110%0.104CC..G310 helixtrans-58.2-29.5172.1-68171.4000111.5L31 S32 Y36 F37 F77 F79 P572 R575 L576L31-L34 HydrophobicContact CB-CD1 4.48Å; L31-L34 HydrophobicContact CD2-CD1 3.88Å; L31-L34 VanDerWaalsContact O-CB 3.3Å; L31-L34 WeakPolarHBondContact O-CB 3.36Å; L31-L34 WeakPolarHBondContact O-CG 3.4Å; L31-L34 PolarHBondContact O-N 2.84Å; S32-L34 PolarHBondContact O-N 3.43Å; L34-Y36 PolarHBondContact O-N 2.87Å; L34-F37 WeakPolarHBondContact O-CB 3.42Å; L34-F37 PolarHBondContact O-N 3.15Å; L34-F77 HydrophobicContact CD2-CB 4.23Å; L34-F77 HydrophobicContact CD2-CD1 3.84Å; L34-F77 HydrophobicContact CD2-CG 4.33Å; L34-F79 HydrophobicContact CD1-CE1 4.1Å; L34-F79 HydrophobicContact CD2-CE1 4.08Å; L34-F79 HydrophobicContact CD2-CZ 4.22Å; L34-P572 HydrophobicContact CD1-CB 3.84Å; L34-R575 WeakPolarHBondContact O-CG 3.49Å; L34-L576 HydrophobicContact CD1-CD2 4.39Å
35S86.4Confident79.2Confident1 Ų121.2 Ų21.21%0.00711%0.107CC..G310 helixtrans-55-21.3178.465.50000114.7S32 N33 R575 P618S32-S35 VanDerWaalsContact O-CB 3.25Å; S32-S35 WeakPolarHBondContact O-CB 3.36Å; S32-S35 PolarHBondContact O-N 2.91Å; S32-S35 PolarHBondContact O-OG 2.75Å; N33-S35 PolarHBondContact O-N 3.14Å; S35-R575 PolarHBondContact O-NE 2.63Å; S35-R575 PolarHBondContact O-NH2 3.34Å; S35-P618 WeakPolarHBondContact OG-CG 3.38Å
36Y84.7Confident76.3Confident4 Ų425.6 Ų25.62%0.01614%0.136CC..G310 helixtrans-81.5-12.6174.3-65.6-66.1000114.9N33 L34 Y72 I73 P166 I167 L170 P618 F620 R636N33-Y36 WeakPolarHBondContact O-CD2 3.25Å; N33-Y36 PolarHBondContact O-N 2.87Å; L34-Y36 PolarHBondContact O-N 2.87Å; Y36-Y72 CarbonylContact O-C 3.56Å; Y36-Y72 WeakPolarHBondContact O-CA 3.33Å; Y36-I73 PolarHBondContact O-N 2.89Å; Y36-P166 HydrophobicContact CE1-CB 3.74Å; Y36-P166 HydrophobicContact CE1-CG 4.35Å; Y36-P166 VanDerWaalsContact OH-CB 3.25Å; Y36-P166 WeakPolarHBondContact OH-CB 3.48Å; Y36-I167 HydrophobicContact CD1-CD1 3.82Å; Y36-I167 HydrophobicContact CD1-CG1 3.41Å; Y36-I167 VanDerWaalsContact CD1-CG1 3.41Å; Y36-I167 HydrophobicContact CE1-CG1 4.1Å; Y36-I167 HydrophobicContact CG-CD1 4.18Å; Y36-I167 HydrophobicContact CG-CG1 3.8Å; Y36-L170 HydrophobicContact CD2-CD2 3.55Å; Y36-L170 HydrophobicContact CE2-CD2 4.12Å; Y36-L170 HydrophobicContact CG-CD2 4.13Å; Y36-P618 HydrophobicContact CD2-CG 4.37Å; Y36-P618 HydrophobicContact CE2-CB 3.58Å; Y36-P618 HydrophobicContact CE2-CG 3.45Å; Y36-P618 VanDerWaalsContact CE2-CG 3.45Å; Y36-P618 WeakPolarHBondContact OH-CB 3.49Å; Y36-P618 WeakPolarHBondContact OH-CG 3.27Å; Y36-F620 HydrophobicContact CD2-CE1 4.39Å; Y36-F620 AromaticContact CE2-CE1 3.45Å; Y36-F620 HydrophobicContact CE2-CE1 3.45Å; Y36-F620 VanDerWaalsContact CE2-CE1 3.45Å; Y36-F620 AromaticContact CE2-CZ 3.62Å; Y36-F620 HydrophobicContact CE2-CZ 3.62Å; Y36-F620 AromaticContact CZ-CE1 3.91Å; Y36-F620 AromaticContact CZ-CZ 3.62Å; Y36-F620 VanDerWaalsContact OH-CZ 3.32Å; Y36-F620 WeakPolarHBondContact OH-CZ 3.47Å; Y36-R636 PolarHBondContact OH-NH1 3.41Å
37F87.2Confident73.7Confident1 Ų125.9 Ų25.90%0.00414%0.138CC..BIsolated β-bridgetrans-81.6160173.2-67.7-107000110.5L34 I73 F77 K78 L155 R575L34-F37 WeakPolarHBondContact O-CB 3.42Å; L34-F37 PolarHBondContact O-N 3.15Å; F37-I73 CarbonylContact C-O 3.57Å; F37-I73 WeakPolarHBondContact CA-O 3.37Å; F37-I73 HydrophobicContact CD1-CB 3.8Å; F37-I73 HydrophobicContact CD1-CG2 3.73Å; F37-I73 HydrophobicContact CD2-CD1 4.22Å; F37-I73 HydrophobicContact CE1-CB 4.1Å; F37-I73 HydrophobicContact CE1-CD1 4.31Å; F37-I73 HydrophobicContact CE1-CG2 3.65Å; F37-I73 HydrophobicContact CE2-CD1 3.93Å; F37-I73 HydrophobicContact CG-CB 4.06Å; F37-I73 HydrophobicContact CG-CG2 4.47Å; F37-I73 HydrophobicContact CZ-CD1 3.98Å; F37-I73 HydrophobicContact CZ-CG2 4.34Å; F37-F77 HydrophobicContact CB-CD1 3.82Å; F37-F77 HydrophobicContact CB-CE1 3.57Å; F37-F77 AromaticContact CD1-CD1 3.85Å; F37-F77 HydrophobicContact CD1-CD1 3.85Å; F37-F77 HydrophobicContact CD1-CE1 4.38Å; F37-F77 HydrophobicContact CD2-CD1 4.43Å; F37-F77 AromaticContact CG-CD1 3.79Å; F37-F77 HydrophobicContact CG-CD1 3.79Å; F37-F77 HydrophobicContact CG-CE1 4.09Å; F37-K78 HydrophobicContact CZ-CB 4.43Å; F37-L155 HydrophobicContact CZ-CD2 4.37Å; F37-R575 WeakPolarHBondContact O-CD 3.5Å; F37-R575 PolarHBondContact O-NE 3.5Å
38L86.5Confident71.2Confident26 Ų2626.2 Ų26.214%0.13614%0.141CC..PPolyproline II helixtrans-71.4146.6165.9-70.8-178.5000110.7K40 I67 Y72 I73 S74 P640L38-K40 PolarHBondContact O-N 3.36Å; L38-I67 HydrophobicContact CD2-CD1 3.73Å; L38-Y72 HydrophobicContact CD2-CG 3.98Å; L38-I73 PolarHBondContact N-O 3.38Å; L38-S74 WeakPolarHBondContact CD1-OG 3.25Å; L38-P640 HydrophobicContact CD2-CB 4.28Å
39P87.6Confident69.1Low32 Ų3230.5 Ų30.521%0.20817%0.171CC..PPolyproline II helixtrans-63.6132.2172-15.426.7000111.9R575 V580 P640 F641P39-R575 CarbonylContact C-O 3.55Å; P39-R575 VanDerWaalsContact CA-O 3.25Å; P39-R575 WeakPolarHBondContact CA-O 3.44Å; P39-V580 HydrophobicContact CB-CG1 3.58Å; P39-V580 HydrophobicContact CB-CG2 4.3Å; P39-P640 HydrophobicContact CG-CB 3.77Å; P39-F641 HydrophobicContact CB-CE1 4.21Å; P39-F641 HydrophobicContact CB-CE2 4.43Å; P39-F641 HydrophobicContact CB-CZ 3.82Å; P39-F641 HydrophobicContact CG-CD2 4.32Å; P39-F641 HydrophobicContact CG-CE1 4.1Å; P39-F641 HydrophobicContact CG-CE2 3.66Å; P39-F641 HydrophobicContact CG-CZ 3.54Å
40K78.8Confident67.5Low55 Ų5532.9 Ų32.924%0.23918%0.184CC..  trans-123.2137.4173.9-74.6-179.8163.1172.60110.2L38 T75 D76 F77 L146 R575L38-K40 PolarHBondContact O-N 3.36Å; K40-T75 PolarHBondContact NZ-O 3.46Å; K40-D76 IonicContact NZ-OD1 3.25Å; K40-D76 PolarHBondContact NZ-OD1 3.14Å; K40-F77 HydrophobicContact CB-CE2 3.85Å; K40-F77 HydrophobicContact CB-CZ 3.98Å; K40-F77 HydrophobicContact CD-CE2 4.19Å; K40-F77 HydrophobicContact CD-CZ 4.45Å; K40-F77 HydrophobicContact CG-CE2 4.38Å; K40-F77 HydrophobicContact CG-CZ 4.33Å; K40-L146 HydrophobicContact CB-CD1 4.4Å; K40-L146 HydrophobicContact CB-CD2 4.02Å; K40-R575 PolarHBondContact N-O 2.89Å
41H69.8Low66.5Low35 Ų3533 Ų3316%0.16218%0.184CC..  trans-158.6120.2175.8-170.1-61.6000109L471 G577 V580H41-L471 WeakPolarHBondContact NE2-CD1 3.48Å; H41-G577 PolarHBondContact CD2-O 3.48Å; H41-G577 VanDerWaalsContact CD2-O 3.29Å; H41-V580 HydrophobicContact CB-CB 4.28Å; H41-V580 HydrophobicContact CB-CG1 3.99Å
42Q59.7Low65.4Low41 Ų4134.7 Ų34.719%0.19220%0.196CC..  trans-69.2131.7169.6-85.2-165.851.700110.3Q145 F147 Y472Q42-Q145 VanDerWaalsContact CB-O 3.23Å; Q42-Q145 WeakPolarHBondContact CB-O 3.44Å; Q42-Q145 WeakPolarHBondContact CG-O 3.36Å; Q42-Q145 PolarHBondContact NE2-O 3.13Å; Q42-F147 HydrophobicContact CG-CD2 3.93Å; Q42-F147 HydrophobicContact CG-CE2 3.9Å; Q42-F147 VanDerWaalsContact OE1-CE2 3.26Å; Q42-F147 VanDerWaalsContact OE1-CZ 3.25Å; Q42-Y472 PolarHBondContact O-OH 3.15Å
43L53.6Low64.5Low32 Ų3239.9 Ų39.917%0.16822%0.224CC..  trans-124.5105.9161.1-72.4127.9000110.8S45 C48 Y472 H581L43-S45 VanDerWaalsContact C-N 3.3Å; L43-C48 HydrophobicContact CB-CB 3.8Å; L43-C48 HydrophobicContact CD1-CB 4.42Å; L43-C48 HydrophobicContact CD2-CB 3.79Å; L43-C48 HydrophobicContact CG-CB 4.17Å; L43-Y472 WeakPolarHBondContact CA-OH 3.37Å; L43-H581 HydrophobicContact CD1-CB 4.08Å; L43-H581 WeakPolarHBondContact CD1-ND1 3.43Å; L43-H581 HydrophobicContact CD2-CB 4.44Å; L43-H581 VanDerWaalsContact CD2-CE1 3.48Å; L43-H581 WeakPolarHBondContact CD2-CE1 3.39Å; L43-H581 WeakPolarHBondContact CD2-NE2 3.33Å
44M44.7Very low63.7Low149 Ų14940.2 Ų40.273%0.73423%0.225SC*.  trans-85.2-3.8171.5-59-165.679.100112.5P46M44-P46 WeakPolarHBondContact O-CD 3.26Å
45S40.9Very low62.8Low10 Ų1041.5 Ų41.57%0.0723%0.23CC..SBendtrans-73.4123.3177.338.80000112L43 G47 C48L43-S45 VanDerWaalsContact C-N 3.3Å; S45-G47 PolarHBondContact O-N 3.45Å; S45-C48 WeakPolarHBondContact O-CB 3.5Å; S45-C48 PolarHBondContact O-N 3.47Å; S45-C48 VanDerWaalsContact O-N 3.13Å; S45-C48 WeakPolarHBondContact OG-CB 3.36Å; S45-C48 PolarHBondContact OG-SG 3.34Å
46P37.8Very low61.3Low92 Ų9245.6 Ų45.660%0.59726%0.259SS*.THydrogen-bonded Turntrans-54.3138170.3-24.934.9000111.3M44 C48 I555M44-P46 WeakPolarHBondContact O-CD 3.26Å; P46-C48 VanDerWaalsContact C-N 3.3Å; P46-C48 PolarHBondContact O-N 2.85Å; P46-I555 HydrophobicContact CB-CD1 4.11Å; P46-I555 HydrophobicContact CB-CG2 3.87Å
47G40.9Very low59.6Low5 Ų548.8 Ų48.85%0.05229%0.292CS..THydrogen-bonded Turntrans87.1-21.7-175.900000115S45 S556 G557S45-G47 PolarHBondContact O-N 3.45Å; G47-S556 WeakPolarHBondContact CA-O 3.18Å; G47-G557 WeakPolarHBondContact O-CA 3.47Å
48C41.2Very low57.6Low7 Ų754.4 Ų54.45%0.04732%0.323CS..THydrogen-bonded Turntrans-81.1-22.9169.6-64.50000112.1L43 S45 P46 D50 L51L43-C48 HydrophobicContact CB-CB 3.8Å; L43-C48 HydrophobicContact CD1-CB 4.42Å; L43-C48 HydrophobicContact CD2-CB 3.79Å; L43-C48 HydrophobicContact CG-CB 4.17Å; S45-C48 WeakPolarHBondContact O-CB 3.5Å; S45-C48 PolarHBondContact O-N 3.47Å; S45-C48 VanDerWaalsContact O-N 3.13Å; S45-C48 WeakPolarHBondContact OG-CB 3.36Å; S45-C48 PolarHBondContact OG-SG 3.34Å; P46-C48 VanDerWaalsContact C-N 3.3Å; P46-C48 PolarHBondContact O-N 2.85Å; C48-D50 PolarHBondContact O-N 2.91Å; C48-L51 PolarHBondContact O-N 3.46Å
49S47.4Very low55.6Low92 Ų9255.6 Ų55.664%0.64334%0.341SS*.THydrogen-bonded Turntrans-63.7-17.9172-37.60000113.7
50D50.6Low53.5Low59 Ų5962.2 Ų62.232%0.31637%0.374SS..THydrogen-bonded Turntrans-86.8-7-176-79-77.1000114.5C48 R592C48-D50 PolarHBondContact O-N 2.91Å; D50-R592 PolarHBondContact O-NH2 2.62Å; D50-R592 VanDerWaalsContact O-NH2 3.13Å; D50-R592 IonicContact OD1-CZ 3.58Å; D50-R592 IonicContact OD1-NH1 2.63Å; D50-R592 PolarHBondContact OD1-NH1 2.82Å; D50-R592 IonicContact OD1-NH2 3.43Å; D50-R592 PolarHBondContact OD1-NH2 3.43Å
51L60.3Low52.3Low16 Ų1663.6 Ų63.68%0.08440%0.404CS..SBendtrans-64.8135.2173.3-71.3171000109.8C48 D53 R584 V585C48-L51 PolarHBondContact O-N 3.46Å; L51-D53 PolarHBondContact O-N 3.05Å; L51-D53 VanDerWaalsContact O-N 3.07Å; L51-R584 HydrophobicContact CD1-CB 4.12Å; L51-R584 PolarHBondContact O-NH2 3.14Å; L51-V585 HydrophobicContact CD1-CG2 3.95Å
52P62.2Low51.9Low54 Ų5463.9 Ų63.935%0.35142%0.417SS..  trans-51.8119.4179.9-26.634.2000111.3M54 R584P52-M54 WeakPolarHBondContact O-CG 3.46Å; P52-M54 PolarHBondContact O-N 3.11Å; P52-R584 PolarHBondContact O-NH2 3.38Å
53D64.2Low52.6Low111 Ų11163.8 Ų63.859%0.59442%0.417SS*.  trans-79.1113.1168.5-170.1-3.7000107.7L51 S56L51-D53 PolarHBondContact O-N 3.05Å; L51-D53 VanDerWaalsContact O-N 3.07Å; D53-S56 PolarHBondContact OD1-OG 3.44Å; D53-S56 WeakPolarHBondContact OD2-CB 3.36Å; D53-S56 PolarHBondContact OD2-OG 3.28Å
54M67.2Low53.7Low19 Ų1964.5 Ų64.59%0.09442%0.418CS..  trans-87.5-17.4-154.4-50.5-165.978.700112.4P52 Y588 F641 L642 Q643P52-M54 WeakPolarHBondContact O-CG 3.46Å; P52-M54 PolarHBondContact O-N 3.11Å; M54-Y588 HydrophobicContact CE-CD2 4.32Å; M54-Y588 HydrophobicContact CE-CE2 3.58Å; M54-Y588 HydrophobicContact SD-CD2 4.39Å; M54-Y588 HydrophobicContact SD-CE2 3.86Å; M54-F641 WeakPolarHBondContact CE-O 3.5Å; M54-F641 VanDerWaalsContact SD-O 3.34Å; M54-L642 VanDerWaalsContact CE-C 3.4Å; M54-L642 WeakPolarHBondContact CE-O 3.49Å; M54-Q643 HydrophobicContact CE-CB 4.19Å; M54-Q643 HydrophobicContact CE-CG 3.58Å
55W66.3Low55.5Low31 Ų3158.4 Ų58.412%0.11739%0.39CS..SBendtrans-139.5-13.1-167.1-63107.6000115.5G57 N58 T65 I67 P640 P644 I647W55-G57 PolarHBondContact O-N 2.94Å; W55-G57 VanDerWaalsContact O-N 3.16Å; W55-N58 PolarHBondContact O-N 3.2Å; W55-T65 HydrophobicContact CB-CG2 4.15Å; W55-T65 HydrophobicContact CD2-CG2 4.19Å; W55-T65 HydrophobicContact CE3-CG2 3.81Å; W55-T65 HydrophobicContact CG-CG2 4.3Å; W55-I67 HydrophobicContact CD2-CD1 3.67Å; W55-I67 HydrophobicContact CD2-CG1 3.9Å; W55-I67 VanDerWaalsContact CE2-CD1 3.47Å; W55-I67 HydrophobicContact CE3-CD1 4.2Å; W55-I67 HydrophobicContact CE3-CG1 3.89Å; W55-I67 HydrophobicContact CG-CD1 4.07Å; W55-I67 HydrophobicContact CH2-CB 4.21Å; W55-I67 HydrophobicContact CH2-CD1 4.41Å; W55-I67 HydrophobicContact CH2-CG1 3.91Å; W55-I67 HydrophobicContact CH2-CG2 3.82Å; W55-I67 HydrophobicContact CZ2-CB 4.3Å; W55-I67 HydrophobicContact CZ2-CD1 3.91Å; W55-I67 HydrophobicContact CZ2-CG1 3.9Å; W55-I67 HydrophobicContact CZ2-CG2 3.64Å; W55-I67 HydrophobicContact CZ3-CG1 3.88Å; W55-P640 PolarHBondContact NE1-O 3.28Å; W55-P644 HydrophobicContact CH2-CB 4.24Å; W55-P644 HydrophobicContact CH2-CG 3.91Å; W55-P644 HydrophobicContact CZ2-CG 4.25Å; W55-P644 HydrophobicContact CZ3-CG 4.38Å; W55-I647 HydrophobicContact CH2-CD1 3.58Å; W55-I647 HydrophobicContact CZ2-CD1 3.84Å
56S55.7Low57.5Low87 Ų8764.2 Ų64.261%0.60841%0.414SS*.THydrogen-bonded Turntrans-68.3-13-174.359.80000115.7D53D53-S56 PolarHBondContact OD1-OG 3.44Å; D53-S56 WeakPolarHBondContact OD2-CB 3.36Å; D53-S56 PolarHBondContact OD2-OG 3.28Å
57G49.8Very low59.6Low70 Ų7059.8 Ų59.872%0.72239%0.385SS*.THydrogen-bonded Turntrans-97-9.4178.100000116.3W55W55-G57 PolarHBondContact O-N 2.94Å; W55-G57 VanDerWaalsContact O-N 3.16Å
58N44.3Very low61.4Low120 Ų12061.3 Ų61.364%0.64240%0.4SS*.SBendtrans-10814.8-162.3-77.6-11.7000115.4W55W55-N58 PolarHBondContact O-N 3.2Å
59G44.5Very low63.1Low50 Ų5067.6 Ų67.652%0.51543%0.434SS..SBendtrans-147.9139.5-178.300000113.8G61G59-G61 VanDerWaalsContact C-N 3.29Å; G59-G61 PolarHBondContact O-N 2.61Å
60D44.7Very low64.7Low171 Ų17164.5 Ų64.591%0.91441%0.409SS*.SBendtrans-76.571.9-177.3-170.125.4000111.6G62D60-G62 PolarHBondContact O-N 2.88Å
61G53.3Low66.2Low84 Ų8462.8 Ų62.887%0.86640%0.4SS*.SBendtrans59.314.6179.500000115.5G59G59-G61 VanDerWaalsContact C-N 3.29Å; G59-G61 PolarHBondContact O-N 2.61Å
62G61.7Low67.3Low41 Ų4162 Ų6242%0.42340%0.396SS..  trans-76.7150.5-159.600000115.9D60 F64D60-G62 PolarHBondContact O-N 2.88Å; G62-F64 PolarHBondContact O-N 3.23Å; G62-F64 VanDerWaalsContact O-N 3.09Å
63M73.7Confident68.4Low40 Ų4059.5 Ų59.520%0.19738%0.38CS..SBendtrans-55.7-23.2172.2-154.183.4160.600113.7S74 T75 L155 V158M63-S74 PolarHBondContact O-N 3.37Å; M63-T75 HydrophobicContact CE-CG2 3.74Å; M63-T75 HydrophobicContact CG-CG2 3.85Å; M63-T75 HydrophobicContact SD-CG2 3.52Å; M63-T75 VanDerWaalsContact SD-CG2 3.52Å; M63-L155 VanDerWaalsContact CE-CA 3.45Å; M63-L155 HydrophobicContact CE-CB 4.13Å; M63-L155 HydrophobicContact CE-CD1 3.84Å; M63-V158 HydrophobicContact CE-CB 4.48Å; M63-V158 HydrophobicContact CE-CG2 3.63Å; M63-V158 HydrophobicContact CG-CG2 4.24Å; M63-V158 HydrophobicContact SD-CG2 4.1Å
64F76.7Confident69.2Low46 Ų4655.8 Ų55.820%0.20236%0.363CS..EExtended strand (participates in β ladder)trans-134.6147.6-173.6-47.2-62.4000112.1G62 Y72 I73 V158 V160 L171G62-F64 PolarHBondContact O-N 3.23Å; G62-F64 VanDerWaalsContact O-N 3.09Å; F64-Y72 CarbonylContact C-O 3.59Å; F64-Y72 WeakPolarHBondContact CA-O 3.38Å; F64-Y72 WeakPolarHBondContact CB-O 3.37Å; F64-I73 HydrophobicContact CD1-CG1 4.28Å; F64-I73 HydrophobicContact CE1-CG1 4.26Å; F64-V158 HydrophobicContact CE2-CG1 3.6Å; F64-V158 HydrophobicContact CZ-CB 4.48Å; F64-V158 HydrophobicContact CZ-CG1 3.66Å; F64-V160 HydrophobicContact CD2-CG2 4.49Å; F64-V160 HydrophobicContact CE2-CG2 3.5Å; F64-V160 VanDerWaalsContact CE2-CG2 3.5Å; F64-V160 HydrophobicContact CZ-CG2 3.67Å; F64-L171 HydrophobicContact CD1-CD1 4.39Å; F64-L171 HydrophobicContact CE1-CD1 3.29Å; F64-L171 HydrophobicContact CZ-CD1 3.54Å
65T81.7Confident69.8Low21 Ų2155.4 Ų55.413%0.12936%0.361CS..EExtended strand (participates in β ladder)trans-115.9131.8168.8-60.20000109.2W55 I67 N71 Y72 S74W55-T65 HydrophobicContact CB-CG2 4.15Å; W55-T65 HydrophobicContact CD2-CG2 4.19Å; W55-T65 HydrophobicContact CE3-CG2 3.81Å; W55-T65 HydrophobicContact CG-CG2 4.3Å; T65-I67 HydrophobicContact CG2-CD1 4.32Å; T65-I67 HydrophobicContact CG2-CG1 3.98Å; T65-N71 CarbonylContact O-C 3.58Å; T65-N71 WeakPolarHBondContact O-CA 3.33Å; T65-Y72 PolarHBondContact N-O 3.17Å; T65-Y72 PolarHBondContact O-N 2.85Å; T65-S74 PolarHBondContact N-OG 3.01Å; T65-S74 PolarHBondContact OG1-OG 2.79Å
66K82.5Confident70.4Confident132 Ų13256 Ų5657%0.57437%0.367SS*.EExtended strand (participates in β ladder)trans-93.7130.7173.3-178.8170175.1175.30110.3G68K66-G68 WeakPolarHBondContact CE-O 3.37Å; K66-G68 WeakPolarHBondContact CG-O 3.49Å
67I82.4Confident71.9Confident0 Ų052.5 Ų52.50%034%0.341CS..EExtended strand (participates in β ladder)trans-133.7104.1-175.1-57.6-175.1000107.9L38 W55 T65 D69 M70 Y72 P640 I647L38-I67 HydrophobicContact CD2-CD1 3.73Å; W55-I67 HydrophobicContact CD2-CD1 3.67Å; W55-I67 HydrophobicContact CD2-CG1 3.9Å; W55-I67 VanDerWaalsContact CE2-CD1 3.47Å; W55-I67 HydrophobicContact CE3-CD1 4.2Å; W55-I67 HydrophobicContact CE3-CG1 3.89Å; W55-I67 HydrophobicContact CG-CD1 4.07Å; W55-I67 HydrophobicContact CH2-CB 4.21Å; W55-I67 HydrophobicContact CH2-CD1 4.41Å; W55-I67 HydrophobicContact CH2-CG1 3.91Å; W55-I67 HydrophobicContact CH2-CG2 3.82Å; W55-I67 HydrophobicContact CZ2-CB 4.3Å; W55-I67 HydrophobicContact CZ2-CD1 3.91Å; W55-I67 HydrophobicContact CZ2-CG1 3.9Å; W55-I67 HydrophobicContact CZ2-CG2 3.64Å; W55-I67 HydrophobicContact CZ3-CG1 3.88Å; T65-I67 HydrophobicContact CG2-CD1 4.32Å; T65-I67 HydrophobicContact CG2-CG1 3.98Å; I67-D69 PolarHBondContact O-N 2.98Å; I67-M70 PolarHBondContact N-O 3.47Å; I67-M70 PolarHBondContact O-N 3.48Å; I67-M70 VanDerWaalsContact O-N 3.14Å; I67-Y72 HydrophobicContact CB-CD2 3.94Å; I67-Y72 HydrophobicContact CB-CE2 3.8Å; I67-Y72 HydrophobicContact CD1-CD2 3.71Å; I67-Y72 HydrophobicContact CD1-CE2 4.1Å; I67-Y72 HydrophobicContact CD1-CG 4.38Å; I67-Y72 HydrophobicContact CG1-CD2 3.87Å; I67-Y72 HydrophobicContact CG1-CE2 4.23Å; I67-Y72 HydrophobicContact CG2-CE2 4.42Å; I67-P640 HydrophobicContact CD1-CB 4.3Å; I67-P640 HydrophobicContact CD1-CG 4.45Å; I67-I647 HydrophobicContact CG2-CD1 3.64Å
68G79.1Confident73.6Confident36 Ų3650.4 Ų50.437%0.37131%0.311SS..THydrogen-bonded Turntrans59-129.4-167.500000110.4K66K66-G68 WeakPolarHBondContact CE-O 3.37Å; K66-G68 WeakPolarHBondContact CG-O 3.49Å
69D77.7Confident75.6Confident139 Ų13945 Ų4574%0.74328%0.282SS*.THydrogen-bonded Turntrans-86.8-5.3176.5-64.3-53.7000114.4I67 N165I67-D69 PolarHBondContact O-N 2.98Å; D69-N165 PolarHBondContact O-ND2 3.03Å
70M79.8Confident77.4Confident28 Ų2843.4 Ų43.414%0.13826%0.263CS..EExtended strand (participates in β ladder)trans-99.2144.5-179.1-68.9177-72.200111.6I67 Y72 R635 R636 S639I67-M70 PolarHBondContact N-O 3.47Å; I67-M70 PolarHBondContact O-N 3.48Å; I67-M70 VanDerWaalsContact O-N 3.14Å; M70-Y72 HydrophobicContact CB-CE2 3.71Å; M70-Y72 WeakPolarHBondContact CE-OH 3.14Å; M70-R635 HydrophobicContact CE-CB 4.15Å; M70-R636 HydrophobicContact CE-CB 4.45Å; M70-R636 HydrophobicContact SD-CB 3.65Å; M70-R636 HydrophobicContact SD-CG 3.79Å; M70-S639 WeakPolarHBondContact CE-OG 3.28Å
71N81.6Confident79.3Confident22 Ų2235.7 Ų35.712%0.11822%0.222CC..EExtended strand (participates in β ladder)trans-95.7159164.9-72.921.5000109.5T65 L163 I167T65-N71 CarbonylContact O-C 3.58Å; T65-N71 WeakPolarHBondContact O-CA 3.33Å; N71-L163 HydrophobicContact CB-CD2 4.16Å; N71-L163 WeakPolarHBondContact ND2-CD2 3.2Å; N71-I167 HydrophobicContact CB-CD1 4.23Å; N71-I167 WeakPolarHBondContact O-CD1 3.3Å
72Y84.8Confident80.9Confident0 Ų032.1 Ų32.10%018%0.183CC..EExtended strand (participates in β ladder)trans-137152.7172.8-66.5-92.6000110.4Y36 L38 F64 T65 I67 M70 R636 P640Y36-Y72 CarbonylContact O-C 3.56Å; Y36-Y72 WeakPolarHBondContact O-CA 3.33Å; L38-Y72 HydrophobicContact CD2-CG 3.98Å; F64-Y72 CarbonylContact C-O 3.59Å; F64-Y72 WeakPolarHBondContact CA-O 3.38Å; F64-Y72 WeakPolarHBondContact CB-O 3.37Å; T65-Y72 PolarHBondContact N-O 3.17Å; T65-Y72 PolarHBondContact O-N 2.85Å; I67-Y72 HydrophobicContact CB-CD2 3.94Å; I67-Y72 HydrophobicContact CB-CE2 3.8Å; I67-Y72 HydrophobicContact CD1-CD2 3.71Å; I67-Y72 HydrophobicContact CD1-CE2 4.1Å; I67-Y72 HydrophobicContact CD1-CG 4.38Å; I67-Y72 HydrophobicContact CG1-CD2 3.87Å; I67-Y72 HydrophobicContact CG1-CE2 4.23Å; I67-Y72 HydrophobicContact CG2-CE2 4.42Å; M70-Y72 HydrophobicContact CB-CE2 3.71Å; M70-Y72 WeakPolarHBondContact CE-OH 3.14Å; Y72-R636 HydrophobicContact CE1-CG 4.19Å; Y72-R636 WeakPolarHBondContact OH-CA 3.38Å; Y72-R636 PolarHBondContact OH-O 3.48Å; Y72-P640 HydrophobicContact CD1-CG 3.77Å; Y72-P640 HydrophobicContact CD2-CG 4.48Å; Y72-P640 HydrophobicContact CE1-CG 3.42Å; Y72-P640 VanDerWaalsContact CE1-CG 3.42Å; Y72-P640 HydrophobicContact CE2-CG 4.21Å; Y72-P640 HydrophobicContact CG-CG 4.3Å
73I84.5Confident81.9Confident1 Ų130.5 Ų30.51%0.00516%0.164CC..EExtended strand (participates in β ladder)trans-88125.3178.3-53.6170.3000109.3Y36 F37 L38 F64 T75 L155 I167 L171Y36-I73 PolarHBondContact O-N 2.89Å; F37-I73 CarbonylContact C-O 3.57Å; F37-I73 WeakPolarHBondContact CA-O 3.37Å; F37-I73 HydrophobicContact CD1-CB 3.8Å; F37-I73 HydrophobicContact CD1-CG2 3.73Å; F37-I73 HydrophobicContact CD2-CD1 4.22Å; F37-I73 HydrophobicContact CE1-CB 4.1Å; F37-I73 HydrophobicContact CE1-CD1 4.31Å; F37-I73 HydrophobicContact CE1-CG2 3.65Å; F37-I73 HydrophobicContact CE2-CD1 3.93Å; F37-I73 HydrophobicContact CG-CB 4.06Å; F37-I73 HydrophobicContact CG-CG2 4.47Å; F37-I73 HydrophobicContact CZ-CD1 3.98Å; F37-I73 HydrophobicContact CZ-CG2 4.34Å; L38-I73 PolarHBondContact N-O 3.38Å; F64-I73 HydrophobicContact CD1-CG1 4.28Å; F64-I73 HydrophobicContact CE1-CG1 4.26Å; I73-T75 HydrophobicContact CG2-CG2 4.09Å; I73-T75 WeakPolarHBondContact CG2-OG1 3.34Å; I73-L155 HydrophobicContact CG2-CD1 4.03Å; I73-I167 HydrophobicContact CG1-CD1 4.34Å; I73-L171 HydrophobicContact CD1-CD1 4.25Å; I73-L171 HydrophobicContact CD1-CD2 4.07Å; I73-L171 HydrophobicContact CG1-CD1 4.35Å
74S81.8Confident82.4Confident34 Ų3432.3 Ų32.324%0.23817%0.174CC..  trans-101.20.2-173.4-50.20000113.3L38 M63 T65L38-S74 WeakPolarHBondContact CD1-OG 3.25Å; M63-S74 PolarHBondContact O-N 3.37Å; T65-S74 PolarHBondContact N-OG 3.01Å; T65-S74 PolarHBondContact OG1-OG 2.79Å
75T78.7Confident82.7Confident10 Ų1032.3 Ų32.36%0.06118%0.18CC..SBendtrans-72.8179.5178.469.40000112.7K40 M63 I73K40-T75 PolarHBondContact NZ-O 3.46Å; M63-T75 HydrophobicContact CE-CG2 3.74Å; M63-T75 HydrophobicContact CG-CG2 3.85Å; M63-T75 HydrophobicContact SD-CG2 3.52Å; M63-T75 VanDerWaalsContact SD-CG2 3.52Å; I73-T75 HydrophobicContact CG2-CG2 4.09Å; I73-T75 WeakPolarHBondContact CG2-OG1 3.34Å
76D80.3Confident82.9Confident44 Ų4431.3 Ų31.324%0.23517%0.173CC..  trans-66.8153.9163.6-60.6-26.7000110.6K40 S149K40-D76 IonicContact NZ-OD1 3.25Å; K40-D76 PolarHBondContact NZ-OD1 3.14Å; D76-S149 WeakPolarHBondContact OD2-CB 3.22Å; D76-S149 PolarHBondContact OD2-N 3.2Å
77F87Confident83.1Confident14 Ų1426.4 Ų26.46%0.06115%0.153CC..  trans-65138.7-175.4-62.3-70000111.2L34 F37 K40 F79 L143 L146 R575 L576L34-F77 HydrophobicContact CD2-CB 4.23Å; L34-F77 HydrophobicContact CD2-CD1 3.84Å; L34-F77 HydrophobicContact CD2-CG 4.33Å; F37-F77 HydrophobicContact CB-CD1 3.82Å; F37-F77 HydrophobicContact CB-CE1 3.57Å; F37-F77 AromaticContact CD1-CD1 3.85Å; F37-F77 HydrophobicContact CD1-CD1 3.85Å; F37-F77 HydrophobicContact CD1-CE1 4.38Å; F37-F77 HydrophobicContact CD2-CD1 4.43Å; F37-F77 AromaticContact CG-CD1 3.79Å; F37-F77 HydrophobicContact CG-CD1 3.79Å; F37-F77 HydrophobicContact CG-CE1 4.09Å; K40-F77 HydrophobicContact CB-CE2 3.85Å; K40-F77 HydrophobicContact CB-CZ 3.98Å; K40-F77 HydrophobicContact CD-CE2 4.19Å; K40-F77 HydrophobicContact CD-CZ 4.45Å; K40-F77 HydrophobicContact CG-CE2 4.38Å; K40-F77 HydrophobicContact CG-CZ 4.33Å; F77-F79 HydrophobicContact CB-CE2 4.13Å; F77-F79 HydrophobicContact CB-CZ 4.39Å; F77-L143 HydrophobicContact CB-CD2 4.39Å; F77-L143 HydrophobicContact CD2-CD2 4.16Å; F77-L146 HydrophobicContact CD2-CD1 3.71Å; F77-L146 HydrophobicContact CE2-CD1 3.57Å; F77-R575 HydrophobicContact CE1-CB 3.97Å; F77-R575 HydrophobicContact CZ-CB 4.17Å; F77-R575 WeakPolarHBondContact CZ-O 3.26Å; F77-L576 HydrophobicContact CD1-CD2 4.18Å; F77-L576 HydrophobicContact CD2-CD2 3.88Å; F77-L576 HydrophobicContact CE1-CD2 3.98Å; F77-L576 HydrophobicContact CE2-CB 3.99Å; F77-L576 HydrophobicContact CE2-CD2 3.67Å; F77-L576 HydrophobicContact CE2-CG 4.31Å; F77-L576 HydrophobicContact CG-CD2 4.14Å; F77-L576 HydrophobicContact CZ-CB 4.31Å; F77-L576 HydrophobicContact CZ-CD2 3.74Å
78K84.3Confident83.3Confident25 Ų2530.8 Ų30.811%0.10918%0.183CC..  trans-128.2151.4174.5-58.2-162.3-175.4-162.30110.1F37 S153 L155 W178 T179F37-K78 HydrophobicContact CZ-CB 4.43Å; K78-S153 WeakPolarHBondContact CE-O 3.47Å; K78-S153 PolarHBondContact NZ-O 3.09Å; K78-L155 HydrophobicContact CD-CB 4.03Å; K78-L155 HydrophobicContact CD-CD2 4.26Å; K78-W178 HydrophobicContact CB-CB 4.02Å; K78-W178 HydrophobicContact CB-CD2 4.45Å; K78-W178 HydrophobicContact CB-CE3 3.82Å; K78-W178 HydrophobicContact CD-CB 3.89Å; K78-W178 WeakPolarHBondContact O-CZ3 3.32Å; K78-T179 CarbonylContact C-O 3.47Å; K78-T179 VanDerWaalsContact CA-O 3.29Å; K78-T179 WeakPolarHBondContact CA-O 3.35Å; K78-T179 WeakPolarHBondContact CB-O 3.3Å
79F87.2Confident83.7Confident7 Ų731.3 Ų31.33%0.03118%0.181CC..BIsolated β-bridgetrans-123.1154.5-172.9-61.1-95000109.8M29 L31 L34 F77 F111 L139 L143 T179 F181M29-F79 HydrophobicContact CE-CD1 4.13Å; M29-F79 HydrophobicContact SD-CB 4.08Å; M29-F79 HydrophobicContact SD-CD1 3.95Å; M29-F79 HydrophobicContact SD-CG 4.44Å; L31-F79 HydrophobicContact CD2-CD1 4.12Å; L31-F79 HydrophobicContact CD2-CE1 3.89Å; L34-F79 HydrophobicContact CD1-CE1 4.1Å; L34-F79 HydrophobicContact CD2-CE1 4.08Å; L34-F79 HydrophobicContact CD2-CZ 4.22Å; F77-F79 HydrophobicContact CB-CE2 4.13Å; F77-F79 HydrophobicContact CB-CZ 4.39Å; F79-F111 HydrophobicContact CB-CE2 4.3Å; F79-F111 HydrophobicContact CB-CZ 3.8Å; F79-L139 HydrophobicContact CE1-CD1 4.5Å; F79-L139 HydrophobicContact CE1-CD2 4.37Å; F79-L139 HydrophobicContact CZ-CD1 4.33Å; F79-L143 HydrophobicContact CE2-CD1 4.07Å; F79-L143 HydrophobicContact CE2-CD2 4.31Å; F79-L143 HydrophobicContact CZ-CD1 3.95Å; F79-L143 HydrophobicContact CZ-CD2 4.24Å; F79-T179 PolarHBondContact N-O 2.92Å; F79-T179 PolarHBondContact O-N 3.06Å; F79-T179 PolarHBondContact O-OG1 3.32Å; F79-T179 VanDerWaalsContact O-OG1 3.13Å; F79-F181 HydrophobicContact CB-CD2 4.38Å; F79-F181 AromaticContact CD1-CD2 3.83Å; F79-F181 HydrophobicContact CD1-CD2 3.83Å; F79-F181 HydrophobicContact CD1-CE2 4.17Å; F79-F181 HydrophobicContact CD2-CB 3.86Å; F79-F181 AromaticContact CD2-CD2 3.76Å; F79-F181 HydrophobicContact CD2-CD2 3.76Å; F79-F181 HydrophobicContact CD2-CG 4.23Å; F79-F181 HydrophobicContact CE1-CD2 4Å; F79-F181 HydrophobicContact CE1-CE2 4.32Å; F79-F181 HydrophobicContact CE2-CB 3.79Å; F79-F181 AromaticContact CE2-CD2 3.96Å; F79-F181 HydrophobicContact CE2-CD2 3.96Å; F79-F181 HydrophobicContact CE2-CG 4.15Å; F79-F181 AromaticContact CG-CD2 3.71Å; F79-F181 HydrophobicContact CG-CD2 3.71Å; F79-F181 HydrophobicContact CG-CE2 4.43Å; F79-F181 HydrophobicContact CZ-CB 4.49Å; F79-F181 HydrophobicContact CZ-CD2 4.08Å; F79-F181 HydrophobicContact CZ-CG 4.42Å
80C82Confident84.3Confident16 Ų1625.4 Ų25.411%0.10815%0.15CC..  trans-148.2110.6178.4-173.90000108.6L82 W178C80-L82 PolarHBondContact SG-O 3.32Å; C80-W178 HydrophobicContact CB-CE3 4.07Å; C80-W178 HydrophobicContact CB-CH2 4.33Å; C80-W178 HydrophobicContact CB-CZ3 4Å
81M85.3Confident84.8Confident10 Ų1031.5 Ų31.55%0.04918%0.176CC..SBendtrans-77.2-44.2178.7-166.3-160.7100.500111.9C27 M29 G108 F111 L112C27-M81 HydrophobicContact CB-CE 4.1Å; C27-M81 HydrophobicContact CB-SD 4.41Å; M29-M81 HydrophobicContact CB-CG 4.41Å; M81-G108 VanDerWaalsContact SD-CA 3.5Å; M81-F111 HydrophobicContact CB-CB 4.33Å; M81-F111 HydrophobicContact CB-CD2 4.23Å; M81-F111 HydrophobicContact CB-CG 4.41Å; M81-F111 HydrophobicContact SD-CB 4.1Å; M81-L112 HydrophobicContact CE-CD1 4.28Å; M81-L112 HydrophobicContact CE-CD2 3.65Å; M81-L112 HydrophobicContact CE-CG 3.96Å; M81-L112 HydrophobicContact SD-CD2 4.16Å; M81-L112 HydrophobicContact SD-CG 4.01Å
82L85.5Confident85.4Confident8 Ų831 Ų314%0.04217%0.172CC..SBendtrans-142.7155.8177.2-71.4177.2000109.3L5 N6 C13 C80 M87 W92L5-L82 HydrophobicContact CB-CD1 4.49Å; L5-L82 HydrophobicContact CB-CD2 4.21Å; L5-L82 WeakPolarHBondContact O-CD2 3.35Å; N6-L82 HydrophobicContact CB-CD2 4.09Å; C13-L82 HydrophobicContact CB-CD2 4.28Å; C80-L82 PolarHBondContact SG-O 3.32Å; L82-M87 HydrophobicContact CD1-SD 4.46Å; L82-W92 HydrophobicContact CD1-CH2 4.12Å; L82-W92 HydrophobicContact CD1-CZ2 4.38Å
83K83.9Confident85.8Confident8 Ų835.9 Ų35.94%0.03520%0.195CC..BIsolated β-bridgetrans-61.5144.2171.9-74.5179.6169.2-165.90111T7 S85 E86 M87 Y169 E175 F176 Y730T7-K83 HydrophobicContact CG2-CD 4.06Å; K83-S85 PolarHBondContact O-N 3.43Å; K83-E86 HydrophobicContact CB-CG 4.46Å; K83-E86 WeakPolarHBondContact O-CB 3.39Å; K83-E86 PolarHBondContact O-N 3.12Å; K83-M87 WeakPolarHBondContact O-CB 3.34Å; K83-M87 PolarHBondContact O-N 3.36Å; K83-Y169 PolarHBondContact NZ-OH 3.17Å; K83-E175 CarbonylContact C-O 3.56Å; K83-E175 WeakPolarHBondContact CA-O 3.2Å; K83-E175 HydrophobicContact CB-CB 4.48Å; K83-E175 VanDerWaalsContact CB-O 3.28Å; K83-E175 WeakPolarHBondContact CB-O 3.37Å; K83-E175 HydrophobicContact CD-CB 4.06Å; K83-E175 WeakPolarHBondContact CE-OE2 3.5Å; K83-E175 HydrophobicContact CG-CB 4.27Å; K83-E175 IonicContact NZ-OE2 3.52Å; K83-E175 PolarHBondContact NZ-OE2 3.39Å; K83-F176 HydrophobicContact CD-CE1 4.48Å; K83-F176 HydrophobicContact CG-CD1 4.1Å; K83-F176 HydrophobicContact CG-CE1 4.08Å; K83-Y730 WeakPolarHBondContact CD-OH 3.43Å
84L83.2Confident86.2Confident78 Ų7839.4 Ų39.441%0.40822%0.217SC..Hα-helixtrans-55.5-36.9-179.7-176.160.4000112.3S88 E175 N177L84-S88 VanDerWaalsContact O-CB 3.32Å; L84-S88 WeakPolarHBondContact O-CB 3.26Å; L84-S88 PolarHBondContact O-N 3.38Å; L84-S88 PolarHBondContact O-OG 3.03Å; L84-E175 PolarHBondContact N-O 3.14Å; L84-N177 HydrophobicContact CB-CB 4.19Å; L84-N177 HydrophobicContact CD1-CB 4.23Å
85S83.2Confident86.8Confident45 Ų4538 Ų3832%0.31521%0.206SC..Hα-helixtrans-65.9-40.2175.346.40000112.9K83 S89K83-S85 PolarHBondContact O-N 3.43Å; S85-S89 VanDerWaalsContact O-CB 3.22Å; S85-S89 WeakPolarHBondContact O-CB 3.48Å; S85-S89 PolarHBondContact O-N 3.09Å; S85-S89 PolarHBondContact O-OG 2.95Å
86E86.5Confident87.6Confident0 Ų040 Ų400%022%0.217CC..Hα-helixtrans-67.4-52.9172.6-68.8-79.4-164.300110.6R3 L5 K83 S88 S89 Y730 H731R3-E86 IonicContact CZ-OE2 3.23Å; R3-E86 IonicContact NE-OE2 2.71Å; R3-E86 IonicContact NH2-OE2 3.72Å; R3-E86 PolarHBondContact NH2-OE2 3.43Å; L5-E86 WeakPolarHBondContact O-CG 3.37Å; K83-E86 HydrophobicContact CB-CG 4.46Å; K83-E86 WeakPolarHBondContact O-CB 3.39Å; K83-E86 PolarHBondContact O-N 3.12Å; E86-S88 PolarHBondContact O-N 3.06Å; E86-S89 PolarHBondContact O-N 3.22Å; E86-S89 PolarHBondContact O-OG 2.93Å; E86-Y730 HydrophobicContact CG-CE2 3.75Å; E86-Y730 WeakPolarHBondContact CG-OH 3.49Å; E86-Y730 WeakPolarHBondContact OE1-CE2 3.39Å; E86-H731 IonicContact OE1-CE1 3.39Å; E86-H731 IonicContact OE1-CG 2.68Å; E86-H731 IonicContact OE1-ND1 2.58Å; E86-H731 PolarHBondContact OE1-ND1 2.69Å; E86-H731 IonicContact OE2-CE1 2.7Å; E86-H731 PolarHBondContact OE2-CE1 2.94Å; E86-H731 IonicContact OE2-ND1 3.61Å; E86-H731 PolarHBondContact OE2-ND1 3.11Å
87M86.2Confident88.5Confident30 Ų3037.9 Ų37.915%0.14821%0.206CC..Hα-helixtrans-56.6-34.1-176.8-164.672164.600113.2L82 K83 W92 L112 N115 T116L82-M87 HydrophobicContact CD1-SD 4.46Å; K83-M87 WeakPolarHBondContact O-CB 3.34Å; K83-M87 PolarHBondContact O-N 3.36Å; M87-W92 PolarHBondContact O-NE1 3.01Å; M87-W92 HydrophobicContact SD-CH2 4.36Å; M87-W92 HydrophobicContact SD-CZ2 3.59Å; M87-W92 VanDerWaalsContact SD-CZ2 3.59Å; M87-L112 HydrophobicContact CE-CD2 4.21Å; M87-N115 HydrophobicContact CE-CB 4.08Å; M87-T116 HydrophobicContact CE-CG2 3.51Å; M87-T116 HydrophobicContact SD-CG2 4.43Å
88S86Confident89Confident91 Ų9137.2 Ų37.264%0.63620%0.203SC*.Hα-helixtrans-90.8-13.5176.858.90000114.7L84 E86 I90L84-S88 VanDerWaalsContact O-CB 3.32Å; L84-S88 WeakPolarHBondContact O-CB 3.26Å; L84-S88 PolarHBondContact O-N 3.38Å; L84-S88 PolarHBondContact O-OG 3.03Å; E86-S88 PolarHBondContact O-N 3.06Å; S88-I90 VanDerWaalsContact C-N 3.3Å
89S88.3Confident89.7Confident47 Ų4736 Ų3633%0.32920%0.198SC..SBendtrans-84.7-1.2176.973.80000114.4R3 S85 E86R3-S89 PolarHBondContact NH1-OG 3.28Å; R3-S89 PolarHBondContact NH2-OG 2.89Å; S85-S89 VanDerWaalsContact O-CB 3.22Å; S85-S89 WeakPolarHBondContact O-CB 3.48Å; S85-S89 PolarHBondContact O-N 3.09Å; S85-S89 PolarHBondContact O-OG 2.95Å; E86-S89 PolarHBondContact O-N 3.22Å; E86-S89 PolarHBondContact O-OG 2.93Å
90I89.8Confident90.2Very high15 Ų1535.7 Ų35.78%0.07720%0.196CC..SBendtrans-115127.8-174.9-63.3167.2000108.8L5 S88 W92 I95L5-I90 HydrophobicContact CD1-CD1 3.56Å; L5-I90 HydrophobicContact CD2-CD1 3.88Å; L5-I90 HydrophobicContact CG-CD1 4.31Å; S88-I90 VanDerWaalsContact C-N 3.3Å; I90-W92 HydrophobicContact CB-CD2 4.46Å; I90-W92 HydrophobicContact CB-CZ2 4.08Å; I90-W92 HydrophobicContact CD1-CH2 4Å; I90-W92 HydrophobicContact CD1-CZ2 3.71Å; I90-W92 HydrophobicContact CG2-CD2 3.84Å; I90-W92 HydrophobicContact CG2-CE3 4.27Å; I90-W92 HydrophobicContact CG2-CG 4.16Å; I90-W92 HydrophobicContact CG2-CH2 4.45Å; I90-W92 HydrophobicContact CG2-CZ2 4.07Å; I90-W92 PolarHBondContact O-N 3.43Å; I90-W92 PolarHBondContact O-NE1 2.95Å; I90-I95 HydrophobicContact CG2-CD1 3.86Å; I90-I95 HydrophobicContact CG2-CG1 4.49Å
91F91.5Very high90.9Very high156 Ų15635 Ų3568%0.68419%0.191SC*.  trans-8393.7167.5-60.5-75000108.3E93 T94F91-E93 PolarHBondContact O-N 3.16Å; F91-E93 VanDerWaalsContact O-N 3.16Å; F91-T94 HydrophobicContact CB-CG2 3.93Å; F91-T94 PolarHBondContact O-N 3.21Å; F91-T94 PolarHBondContact O-OG1 3.39Å
92W93Very high91.4Very high13 Ų1334.6 Ų34.65%0.04919%0.189CC..G310 helixtrans-63.4-20.9-174.1-64.591.4000113.3L24 L82 M87 I90 T94 I95 L112 T116 F118L24-W92 HydrophobicContact CD2-CZ3 4.12Å; L82-W92 HydrophobicContact CD1-CH2 4.12Å; L82-W92 HydrophobicContact CD1-CZ2 4.38Å; M87-W92 PolarHBondContact O-NE1 3.01Å; M87-W92 HydrophobicContact SD-CH2 4.36Å; M87-W92 HydrophobicContact SD-CZ2 3.59Å; M87-W92 VanDerWaalsContact SD-CZ2 3.59Å; I90-W92 HydrophobicContact CB-CD2 4.46Å; I90-W92 HydrophobicContact CB-CZ2 4.08Å; I90-W92 HydrophobicContact CD1-CH2 4Å; I90-W92 HydrophobicContact CD1-CZ2 3.71Å; I90-W92 HydrophobicContact CG2-CD2 3.84Å; I90-W92 HydrophobicContact CG2-CE3 4.27Å; I90-W92 HydrophobicContact CG2-CG 4.16Å; I90-W92 HydrophobicContact CG2-CH2 4.45Å; I90-W92 HydrophobicContact CG2-CZ2 4.07Å; I90-W92 PolarHBondContact O-N 3.43Å; I90-W92 PolarHBondContact O-NE1 2.95Å; W92-T94 PolarHBondContact O-N 3.07Å; W92-I95 HydrophobicContact CD2-CD1 4.41Å; W92-I95 HydrophobicContact CE3-CD1 3.61Å; W92-I95 HydrophobicContact CZ3-CD1 3.76Å; W92-I95 PolarHBondContact O-N 3.2Å; W92-L112 HydrophobicContact CE3-CD2 3.89Å; W92-L112 HydrophobicContact CH2-CD2 3.54Å; W92-L112 HydrophobicContact CZ2-CD2 4.16Å; W92-L112 HydrophobicContact CZ3-CD1 4.12Å; W92-L112 HydrophobicContact CZ3-CD2 3.37Å; W92-L112 HydrophobicContact CZ3-CG 4.38Å; W92-T116 HydrophobicContact CB-CG2 4.41Å; W92-T116 HydrophobicContact CD2-CG2 3.73Å; W92-T116 HydrophobicContact CE3-CG2 4.33Å; W92-T116 HydrophobicContact CG-CG2 3.71Å; W92-F118 HydrophobicContact CB-CB 4.41Å
93E92.8Very high91.8Very high101 Ų10135.1 Ų35.147%0.47219%0.193SC..G310 helixtrans-66.7-18.4170.3-57.289.1161.500113.7F91 N117F91-E93 PolarHBondContact O-N 3.16Å; F91-E93 VanDerWaalsContact O-N 3.16Å; E93-N117 HydrophobicContact CG-CB 3.69Å; E93-N117 WeakPolarHBondContact OE1-CB 3.45Å; E93-N117 PolarHBondContact OE1-ND2 3.48Å
94T92.8Very high92.2Very high76 Ų7636.6 Ų36.647%0.46620%0.198SC..G310 helixtrans-102.71118077.60000113.4N22 F91 W92N22-T94 VanDerWaalsContact CB-O 3.3Å; N22-T94 WeakPolarHBondContact CB-O 3.5Å; N22-T94 PolarHBondContact ND2-O 2.88Å; N22-T94 VanDerWaalsContact ND2-O 3.14Å; F91-T94 HydrophobicContact CB-CG2 3.93Å; F91-T94 PolarHBondContact O-N 3.21Å; F91-T94 PolarHBondContact O-OG1 3.39Å; W92-T94 PolarHBondContact O-N 3.07Å
95I96.2Very high92.7Very high3 Ų332.9 Ų32.92%0.01518%0.179CC..  trans-92.5113.3169.7-61.2178.5000107.5L15 L24 I90 W92 V97 I98 F118L15-I95 HydrophobicContact CD1-CD1 4.25Å; L15-I95 HydrophobicContact CD1-CG1 4.17Å; L24-I95 HydrophobicContact CB-CG2 4.02Å; L24-I95 HydrophobicContact CD1-CD1 4.39Å; I90-I95 HydrophobicContact CG2-CD1 3.86Å; I90-I95 HydrophobicContact CG2-CG1 4.49Å; W92-I95 HydrophobicContact CD2-CD1 4.41Å; W92-I95 HydrophobicContact CE3-CD1 3.61Å; W92-I95 HydrophobicContact CZ3-CD1 3.76Å; W92-I95 PolarHBondContact O-N 3.2Å; I95-V97 WeakPolarHBondContact CG2-O 3.21Å; I95-I98 HydrophobicContact CG2-CG1 4.41Å; I95-F118 HydrophobicContact CB-CD2 4.13Å; I95-F118 HydrophobicContact CB-CE2 4.09Å; I95-F118 HydrophobicContact CG2-CD2 4.34Å; I95-F118 HydrophobicContact CG2-CE2 3.88Å; I95-F118 WeakPolarHBondContact O-CE2 3.32Å
96D95.1Very high93.4Very high53 Ų5330.8 Ų30.828%0.28316%0.164SC..  trans-77.9-34.1-175.2-52.4-76000111.5V21 N22 G120 K121 F206V21-D96 HydrophobicContact CG1-CB 4.07Å; N22-D96 PolarHBondContact N-OD2 3.47Å; N22-D96 PolarHBondContact ND2-OD2 3.34Å; N22-D96 PolarHBondContact O-N 3.35Å; D96-G120 CarbonylContact O-C 3.48Å; D96-G120 WeakPolarHBondContact O-CA 3.42Å; D96-K121 PolarHBondContact O-N 2.64Å; D96-F206 HydrophobicContact CB-CE2 3.96Å; D96-F206 HydrophobicContact CB-CZ 4.21Å
97V97.8Very high93.7Very high0 Ų031 Ų310%017%0.165CC..EExtended strand (participates in β ladder)trans-147.3141.3-174.5179.50000112.1N22 L23 L24 I95 L99 K121 F123 L205 F206N22-V97 PolarHBondContact O-N 3.19Å; L23-V97 CarbonylContact C-O 3.56Å; L23-V97 WeakPolarHBondContact CA-O 3.4Å; L23-V97 HydrophobicContact CD2-CB 3.75Å; L23-V97 HydrophobicContact CD2-CG1 4.31Å; L23-V97 HydrophobicContact CD2-CG2 4.27Å; L24-V97 PolarHBondContact N-O 3.45Å; I95-V97 WeakPolarHBondContact CG2-O 3.21Å; V97-L99 HydrophobicContact CG1-CD2 3.64Å; V97-L99 HydrophobicContact CG1-CG 4.21Å; V97-K121 CarbonylContact C-O 3.56Å; V97-K121 VanDerWaalsContact CA-O 3.26Å; V97-K121 WeakPolarHBondContact CA-O 3.07Å; V97-F123 HydrophobicContact CG1-CD2 3.48Å; V97-F123 VanDerWaalsContact CG1-CD2 3.48Å; V97-F123 HydrophobicContact CG1-CE2 3.7Å; V97-F123 HydrophobicContact CG2-CE2 4.21Å; V97-L205 HydrophobicContact CG2-CD1 4.09Å; V97-L205 HydrophobicContact CG2-CD2 4.06Å; V97-F206 HydrophobicContact CG2-CE2 4.1Å; V97-F206 HydrophobicContact CG2-CZ 4.35Å
98I98.1Very high94Very high0 Ų029.6 Ų29.60%016%0.158CC..EExtended strand (participates in β ladder)trans-108.4128.5162.5-53.8176.4000108.7L24 I95 V100 L109 L112 F118 K121 V122 F123L24-I98 HydrophobicContact CB-CB 4.37Å; L24-I98 HydrophobicContact CB-CG1 3.99Å; L24-I98 HydrophobicContact CB-CG2 4.29Å; L24-I98 HydrophobicContact CD2-CD1 4.08Å; L24-I98 HydrophobicContact CD2-CG1 4Å; L24-I98 HydrophobicContact CD2-CG2 4.14Å; L24-I98 CarbonylContact O-C 3.56Å; L24-I98 WeakPolarHBondContact O-CA 3.34Å; I95-I98 HydrophobicContact CG2-CG1 4.41Å; I98-V100 HydrophobicContact CG2-CG2 4.27Å; I98-L109 HydrophobicContact CD1-CD2 4.1Å; I98-L109 HydrophobicContact CG2-CD2 4.19Å; I98-L112 HydrophobicContact CD1-CD1 3.82Å; I98-F118 HydrophobicContact CD1-CD1 4.14Å; I98-F118 HydrophobicContact CD1-CD2 4.3Å; I98-F118 HydrophobicContact CD1-CE1 3.7Å; I98-F118 HydrophobicContact CD1-CE2 3.87Å; I98-F118 HydrophobicContact CD1-CG 4.43Å; I98-F118 HydrophobicContact CD1-CZ 3.54Å; I98-F118 HydrophobicContact CG1-CE1 4.22Å; I98-F118 HydrophobicContact CG1-CE2 3.76Å; I98-F118 HydrophobicContact CG1-CZ 3.55Å; I98-K121 PolarHBondContact N-O 3.24Å; I98-V122 HydrophobicContact CB-CG1 4.23Å; I98-V122 HydrophobicContact CB-CG2 4.24Å; I98-V122 HydrophobicContact CD1-CG2 4.22Å; I98-V122 HydrophobicContact CG2-CG1 4.44Å; I98-V122 WeakPolarHBondContact O-CA 3.3Å; I98-F123 PolarHBondContact O-N 3.15Å
99L98.5Very high94.5Very high0 Ų025.2 Ų25.20%013%0.128CC..EExtended strand (participates in β ladder)trans-104.1125.1172.1-59-174.6000109.5L24 L25 D26 V97 F123 I211 W225 I227L24-L99 PolarHBondContact O-N 2.93Å; L25-L99 HydrophobicContact CD2-CB 4.23Å; L25-L99 HydrophobicContact CD2-CD1 3.85Å; L25-L99 HydrophobicContact CD2-CG 4.31Å; D26-L99 PolarHBondContact N-O 3Å; V97-L99 HydrophobicContact CG1-CD2 3.64Å; V97-L99 HydrophobicContact CG1-CG 4.21Å; L99-F123 HydrophobicContact CD2-CB 4.07Å; L99-F123 HydrophobicContact CD2-CD2 4.04Å; L99-F123 HydrophobicContact CD2-CG 4.49Å; L99-I211 HydrophobicContact CD1-CG2 4.31Å; L99-I211 HydrophobicContact CD2-CD1 3.55Å; L99-W225 HydrophobicContact CB-CD2 4.2Å; L99-W225 HydrophobicContact CB-CG 4.26Å; L99-W225 HydrophobicContact CB-CZ2 4.49Å; L99-W225 HydrophobicContact CD1-CB 4.21Å; L99-W225 HydrophobicContact CD1-CD2 4.11Å; L99-W225 HydrophobicContact CD1-CE3 4.38Å; L99-W225 HydrophobicContact CD1-CG 4.05Å; L99-W225 HydrophobicContact CD2-CD2 4.45Å; L99-W225 HydrophobicContact CD2-CE3 4.4Å; L99-W225 HydrophobicContact CD2-CZ3 4.43Å; L99-W225 HydrophobicContact CG-CD2 4.49Å; L99-I227 HydrophobicContact CD1-CD1 4.12Å; L99-I227 HydrophobicContact CD1-CG1 4.29Å
100V98.4Very high94.8Very high0 Ų023 Ų230%011%0.112CC..  trans-110.7116.6-177.2-1720000109.1I98 I106 L109 V122 F123 A124 V128 W225I98-V100 HydrophobicContact CG2-CG2 4.27Å; V100-I106 HydrophobicContact CG1-CD1 3.79Å; V100-I106 HydrophobicContact CG1-CG1 4.07Å; V100-L109 HydrophobicContact CG2-CD1 4.18Å; V100-V122 HydrophobicContact CG2-CG1 3.68Å; V100-F123 WeakPolarHBondContact CB-O 3.06Å; V100-F123 PolarHBondContact N-O 3.17Å; V100-A124 HydrophobicContact CB-CB 3.88Å; V100-A124 HydrophobicContact CG1-CB 4.43Å; V100-A124 HydrophobicContact CG2-CB 4.4Å; V100-V128 HydrophobicContact CG1-CG1 3.99Å; V100-W225 PolarHBondContact O-NE1 2.82Å
101S97.9Very high94.8Very high1 Ų122.6 Ų22.61%0.00711%0.11CC..  trans-94.9-24.3-170.7-42.10000113.3D26 S222 C223 Y236D26-S101 VanDerWaalsContact CG-OG 3.25Å; D26-S101 WeakPolarHBondContact OD1-CB 3.44Å; D26-S101 PolarHBondContact OD1-N 2.87Å; D26-S101 PolarHBondContact OD1-OG 2.97Å; D26-S101 PolarHBondContact OD2-OG 2.87Å; S101-S222 CarbonylContact O-C 3.54Å; S101-S222 VanDerWaalsContact O-CA 3.31Å; S101-S222 WeakPolarHBondContact O-CA 3.43Å; S101-C223 VanDerWaalsContact CB-O 3.27Å; S101-C223 WeakPolarHBondContact CB-O 3.28Å; S101-C223 PolarHBondContact O-N 2.8Å; S101-Y236 WeakPolarHBondContact OG-CE1 3.29Å
102N94.8Very high94.8Very high1 Ų115.2 Ų15.21%0.0058%0.077CC..SBendtrans-156.6165.9-169.971.686.7000112.4R104 S105 S238 H239N102-R104 PolarHBondContact O-N 3.38Å; N102-R104 WeakPolarHBondContact OD1-CA 3.49Å; N102-R104 WeakPolarHBondContact OD1-CB 3.49Å; N102-R104 PolarHBondContact OD1-N 2.99Å; N102-S105 PolarHBondContact ND2-OG 3.32Å; N102-S105 WeakPolarHBondContact O-CB 3.39Å; N102-S105 PolarHBondContact O-N 3.29Å; N102-S105 VanDerWaalsContact O-N 3.08Å; N102-S105 PolarHBondContact OD1-N 2.98Å; N102-S238 PolarHBondContact ND2-OG 2.63Å; N102-H239 HydrophobicContact CB-CB 4.31Å; N102-H239 PolarHBondContact ND2-CE1 2.86Å; N102-H239 PolarHBondContact ND2-ND1 2.83Å; N102-H239 VanDerWaalsContact ND2-ND1 3.14Å
103T94.7Very high94.7Very high20 Ų2015.6 Ų15.612%0.1238%0.079CC..G310 helixtrans-55.9-39.6-177-41.30000114.5S105 I106 F131 G132 L135T103-S105 VanDerWaalsContact C-N 3.29Å; T103-S105 PolarHBondContact O-N 3.16Å; T103-I106 PolarHBondContact O-N 3.21Å; T103-F131 HydrophobicContact CG2-CB 3.57Å; T103-G132 VanDerWaalsContact CG2-N 3.32Å; T103-L135 HydrophobicContact CG2-CD1 3.76Å; T103-L135 HydrophobicContact CG2-CG 4.28Å
104R91.8Very high94.5Very high39 Ų3915.2 Ų15.215%0.1478%0.078CC..G310 helixtrans-71.2-23179.7-72.6-173.7175.7129.2-8.3112.3N102 I106 L107 Y218 D615 E676N102-R104 PolarHBondContact O-N 3.38Å; N102-R104 WeakPolarHBondContact OD1-CA 3.49Å; N102-R104 WeakPolarHBondContact OD1-CB 3.49Å; N102-R104 PolarHBondContact OD1-N 2.99Å; R104-I106 VanDerWaalsContact C-N 3.32Å; R104-I106 PolarHBondContact O-N 2.95Å; R104-L107 HydrophobicContact CB-CD1 4.39Å; R104-L107 WeakPolarHBondContact O-CB 3.41Å; R104-L107 PolarHBondContact O-N 3.26Å; R104-Y218 PolarHBondContact NH1-OH 3.36Å; R104-D615 IonicContact CZ-OD2 3.36Å; R104-D615 IonicContact NE-OD2 2.71Å; R104-D615 IonicContact NH2-OD2 3.19Å; R104-D615 PolarHBondContact NH2-OD2 3.4Å; R104-E676 IonicContact CZ-OE1 2.66Å; R104-E676 IonicContact NH1-OE1 2.74Å; R104-E676 PolarHBondContact NH1-OE1 3.25Å; R104-E676 IonicContact NH2-OE1 3.67Å
105S94.5Very high94.1Very high0 Ų015.6 Ų15.60%08%0.077CC..G310 helixtrans-72.8-21.8176.5-600000113.8D26 C27 C28 N102 T103 L107D26-S105 WeakPolarHBondContact CB-OG 3.37Å; D26-S105 VanDerWaalsContact CG-OG 3.3Å; D26-S105 PolarHBondContact OD1-OG 3.16Å; C27-S105 PolarHBondContact SG-O 2.89Å; C28-S105 PolarHBondContact SG-OG 3.03Å; N102-S105 PolarHBondContact ND2-OG 3.32Å; N102-S105 WeakPolarHBondContact O-CB 3.39Å; N102-S105 PolarHBondContact O-N 3.29Å; N102-S105 VanDerWaalsContact O-N 3.08Å; N102-S105 PolarHBondContact OD1-N 2.98Å; T103-S105 VanDerWaalsContact C-N 3.29Å; T103-S105 PolarHBondContact O-N 3.16Å; S105-L107 PolarHBondContact O-N 3Å
106I95.9Very high93.8Very high0 Ų016.5 Ų16.50%08%0.083CC..G310 helixtrans-63.8-29.6172.7-64.7-71.6000111.4V100 T103 R104 G108 L109 V128 V129 I136 L191 I194V100-I106 HydrophobicContact CG1-CD1 3.79Å; V100-I106 HydrophobicContact CG1-CG1 4.07Å; T103-I106 PolarHBondContact O-N 3.21Å; R104-I106 VanDerWaalsContact C-N 3.32Å; R104-I106 PolarHBondContact O-N 2.95Å; I106-G108 PolarHBondContact O-N 3.28Å; I106-L109 HydrophobicContact CD1-CD1 3.87Å; I106-L109 PolarHBondContact O-N 3.13Å; I106-V128 HydrophobicContact CD1-CG1 4.14Å; I106-V128 HydrophobicContact CG1-CG1 3.8Å; I106-V129 HydrophobicContact CD1-CG2 4.13Å; I106-I136 HydrophobicContact CG2-CD1 3.83Å; I106-L191 HydrophobicContact CG2-CD2 3.73Å; I106-I194 HydrophobicContact CD1-CD1 3.84Å
107L93.4Very high93.6Very high5 Ų518.2 Ų18.23%0.0269%0.092CC..G310 helixtrans-59.7-27.9-177.5-65.7168.5000113.9M29 L31 R104 S105 L135 I136 Y182M29-L107 HydrophobicContact CB-CB 4.31Å; M29-L107 HydrophobicContact CE-CB 4.21Å; L31-L107 HydrophobicContact CD1-CD1 4.14Å; R104-L107 HydrophobicContact CB-CD1 4.39Å; R104-L107 WeakPolarHBondContact O-CB 3.41Å; R104-L107 PolarHBondContact O-N 3.26Å; S105-L107 PolarHBondContact O-N 3Å; L107-L135 HydrophobicContact CD2-CB 4.14Å; L107-I136 HydrophobicContact CD2-CG1 3.78Å; L107-Y182 VanDerWaalsContact O-CE1 3.26Å; L107-Y182 WeakPolarHBondContact O-CE1 3.48Å; L107-Y182 PolarHBondContact O-OH 2.58Å
108G93.3Very high93.4Very high0 Ų018.8 Ų18.80%09%0.094CC..G310 helixtrans-86.7-22.317900000115.1C27 M81 I106 F111 L112C27-G108 WeakPolarHBondContact O-CA 3.31Å; C27-G108 PolarHBondContact O-N 3.24Å; M81-G108 VanDerWaalsContact SD-CA 3.5Å; I106-G108 PolarHBondContact O-N 3.28Å; G108-F111 WeakPolarHBondContact O-CB 3.42Å; G108-F111 PolarHBondContact O-N 3.29Å; G108-F111 VanDerWaalsContact O-N 3.11Å; G108-L112 PolarHBondContact O-N 2.84Å
109L95.2Very high93Very high0 Ų028.1 Ų28.10%013%0.13CC..Hα-helixtrans-56.2-44.1-173.8-71.4175.3000113.8I98 V100 I106 F111 L112 F113 V122 A190 I194I98-L109 HydrophobicContact CD1-CD2 4.1Å; I98-L109 HydrophobicContact CG2-CD2 4.19Å; V100-L109 HydrophobicContact CG2-CD1 4.18Å; I106-L109 HydrophobicContact CD1-CD1 3.87Å; I106-L109 PolarHBondContact O-N 3.13Å; L109-F111 VanDerWaalsContact C-N 3.31Å; L109-F111 PolarHBondContact O-N 2.85Å; L109-L112 WeakPolarHBondContact O-CB 3.35Å; L109-L112 PolarHBondContact O-N 3.08Å; L109-L112 VanDerWaalsContact O-N 3.07Å; L109-F113 WeakPolarHBondContact O-CD2 3.41Å; L109-F113 PolarHBondContact O-N 2.83Å; L109-V122 HydrophobicContact CD1-CG1 4Å; L109-V122 HydrophobicContact CD2-CG1 3.97Å; L109-V122 HydrophobicContact CD2-CG2 4.36Å; L109-A190 HydrophobicContact CB-CB 4.42Å; L109-I194 HydrophobicContact CD1-CD1 3.57Å; L109-I194 HydrophobicContact CD1-CG1 4.19Å
110P94.4Very high92.8Very high0 Ų029.2 Ų29.20%014%0.14CC..Hα-helixtrans-67.9-30.8-179.2-17.732.4000112.6L112 F113 E114 I136 Y182 V187 A190P110-L112 VanDerWaalsContact C-N 3.29Å; P110-L112 PolarHBondContact O-N 2.59Å; P110-F113 PolarHBondContact O-N 3.31Å; P110-E114 VanDerWaalsContact O-CB 3.26Å; P110-E114 WeakPolarHBondContact O-CB 3.38Å; P110-E114 PolarHBondContact O-N 3.04Å; P110-I136 HydrophobicContact CG-CD1 4.27Å; P110-Y182 HydrophobicContact CB-CD1 3.67Å; P110-Y182 HydrophobicContact CB-CD2 3.76Å; P110-Y182 HydrophobicContact CB-CE1 3.78Å; P110-Y182 HydrophobicContact CB-CE2 3.9Å; P110-Y182 HydrophobicContact CB-CG 3.63Å; P110-Y182 HydrophobicContact CG-CD1 4.3Å; P110-Y182 HydrophobicContact CG-CD2 4.15Å; P110-Y182 HydrophobicContact CG-CE1 3.91Å; P110-Y182 HydrophobicContact CG-CE2 3.76Å; P110-Y182 HydrophobicContact CG-CG 4.39Å; P110-V187 HydrophobicContact CB-CG2 4.37Å; P110-V187 HydrophobicContact CG-CG2 4.09Å; P110-A190 HydrophobicContact CB-CB 4.08Å; P110-A190 HydrophobicContact CG-CB 3.93Å
111F90.6Very high92.7Very high7 Ų733.3 Ų33.33%0.03116%0.158CC..Hα-helixtrans-61.9-36.3170.7-79.5-64.9000112.2M29 F79 M81 G108 L109 N115 T179 F181 Y182M29-F111 HydrophobicContact SD-CD2 4.22Å; M29-F111 HydrophobicContact SD-CE2 3.56Å; M29-F111 VanDerWaalsContact SD-CE2 3.56Å; M29-F111 HydrophobicContact SD-CZ 4.47Å; F79-F111 HydrophobicContact CB-CE2 4.3Å; F79-F111 HydrophobicContact CB-CZ 3.8Å; M81-F111 HydrophobicContact CB-CB 4.33Å; M81-F111 HydrophobicContact CB-CD2 4.23Å; M81-F111 HydrophobicContact CB-CG 4.41Å; M81-F111 HydrophobicContact SD-CB 4.1Å; G108-F111 WeakPolarHBondContact O-CB 3.42Å; G108-F111 PolarHBondContact O-N 3.29Å; G108-F111 VanDerWaalsContact O-N 3.11Å; L109-F111 VanDerWaalsContact C-N 3.31Å; L109-F111 PolarHBondContact O-N 2.85Å; F111-N115 VanDerWaalsContact O-CB 3.31Å; F111-N115 WeakPolarHBondContact O-CB 3.24Å; F111-N115 PolarHBondContact O-N 2.81Å; F111-N115 PolarHBondContact O-ND2 3.31Å; F111-T179 WeakPolarHBondContact CE1-OG1 3.36Å; F111-F181 HydrophobicContact CE2-CD2 4.03Å; F111-F181 AromaticContact CE2-CE2 3.94Å; F111-F181 HydrophobicContact CE2-CE2 3.94Å; F111-F181 AromaticContact CZ-CD2 3.87Å; F111-F181 HydrophobicContact CZ-CD2 3.87Å; F111-F181 HydrophobicContact CZ-CE2 4.26Å; F111-Y182 HydrophobicContact CB-CD1 4.49Å; F111-Y182 AromaticContact CD1-CD1 3.96Å; F111-Y182 HydrophobicContact CD1-CD1 3.96Å; F111-Y182 AromaticContact CD2-CD1 3.45Å; F111-Y182 HydrophobicContact CD2-CD1 3.45Å; F111-Y182 VanDerWaalsContact CD2-CD1 3.45Å; F111-Y182 AromaticContact CD2-CE1 3.36Å; F111-Y182 HydrophobicContact CD2-CE1 3.36Å; F111-Y182 AromaticContact CE1-CD1 3.96Å; F111-Y182 HydrophobicContact CE1-CD1 3.96Å; F111-Y182 AromaticContact CE2-CD1 3.43Å; F111-Y182 HydrophobicContact CE2-CD1 3.43Å; F111-Y182 VanDerWaalsContact CE2-CD1 3.43Å; F111-Y182 AromaticContact CE2-CE1 3.37Å; F111-Y182 HydrophobicContact CE2-CE1 3.37Å; F111-Y182 AromaticContact CG-CD1 3.7Å; F111-Y182 HydrophobicContact CG-CD1 3.7Å; F111-Y182 HydrophobicContact CG-CE1 4.05Å; F111-Y182 AromaticContact CZ-CD1 3.69Å; F111-Y182 HydrophobicContact CZ-CD1 3.69Å; F111-Y182 HydrophobicContact CZ-CE1 4.09Å
112L92.1Very high92.7Very high0 Ų033.2 Ų33.20%016%0.158CC..Hα-helixtrans-69.4-45.4174.6-65.6-179.1000112.1L24 C27 M81 M87 W92 I98 G108 L109 P110 E114 T116L24-L112 HydrophobicContact CD2-CD1 3.9Å; C27-L112 HydrophobicContact CB-CD1 4.16Å; M81-L112 HydrophobicContact CE-CD1 4.28Å; M81-L112 HydrophobicContact CE-CD2 3.65Å; M81-L112 HydrophobicContact CE-CG 3.96Å; M81-L112 HydrophobicContact SD-CD2 4.16Å; M81-L112 HydrophobicContact SD-CG 4.01Å; M87-L112 HydrophobicContact CE-CD2 4.21Å; W92-L112 HydrophobicContact CE3-CD2 3.89Å; W92-L112 HydrophobicContact CH2-CD2 3.54Å; W92-L112 HydrophobicContact CZ2-CD2 4.16Å; W92-L112 HydrophobicContact CZ3-CD1 4.12Å; W92-L112 HydrophobicContact CZ3-CD2 3.37Å; W92-L112 HydrophobicContact CZ3-CG 4.38Å; I98-L112 HydrophobicContact CD1-CD1 3.82Å; G108-L112 PolarHBondContact O-N 2.84Å; L109-L112 WeakPolarHBondContact O-CB 3.35Å; L109-L112 PolarHBondContact O-N 3.08Å; L109-L112 VanDerWaalsContact O-N 3.07Å; P110-L112 VanDerWaalsContact C-N 3.29Å; P110-L112 PolarHBondContact O-N 2.59Å; L112-E114 VanDerWaalsContact C-N 3.29Å; L112-E114 PolarHBondContact O-N 2.71Å; L112-T116 HydrophobicContact CD2-CG2 4.11Å; L112-T116 WeakPolarHBondContact O-CB 3.39Å; L112-T116 PolarHBondContact O-N 2.97Å; L112-T116 VanDerWaalsContact O-N 3.09Å; L112-T116 PolarHBondContact O-OG1 3.42Å
113F91.1Very high92.9Very high21 Ų2133.6 Ų33.69%0.09216%0.159CC..Hα-helixtrans-73.3-14.2-179.6-82.8-76.2000115.2L109 P110 F118 V122 K189 A190 N193L109-F113 WeakPolarHBondContact O-CD2 3.41Å; L109-F113 PolarHBondContact O-N 2.83Å; P110-F113 PolarHBondContact O-N 3.31Å; F113-F118 HydrophobicContact CE1-CD1 4.03Å; F113-F118 HydrophobicContact CE1-CE1 4.32Å; F113-F118 HydrophobicContact CE2-CD1 4.5Å; F113-F118 HydrophobicContact CE2-CE1 4.48Å; F113-F118 AromaticContact CZ-CD1 3.97Å; F113-F118 HydrophobicContact CZ-CD1 3.97Å; F113-F118 AromaticContact CZ-CE1 3.9Å; F113-F118 HydrophobicContact CZ-CE1 3.9Å; F113-V122 HydrophobicContact CE2-CG2 4.02Å; F113-V122 HydrophobicContact CZ-CG2 4Å; F113-K189 PolarHBondContact O-NZ 2.83Å; F113-A190 HydrophobicContact CB-CB 4.21Å; F113-A190 HydrophobicContact CD2-CB 3.54Å; F113-A190 HydrophobicContact CE2-CB 4.21Å; F113-A190 HydrophobicContact CG-CB 4.13Å; F113-N193 HydrophobicContact CE1-CB 4.04Å; F113-N193 HydrophobicContact CE2-CB 4.44Å; F113-N193 HydrophobicContact CZ-CB 3.65Å
114E87.1Confident93.1Very high94 Ų9432.6 Ų32.644%0.43915%0.153SC..Hα-helixtrans-99.3-41.6176.1-169.6168.9162.800112.5P110 L112 Y182 S186P110-E114 VanDerWaalsContact O-CB 3.26Å; P110-E114 WeakPolarHBondContact O-CB 3.38Å; P110-E114 PolarHBondContact O-N 3.04Å; L112-E114 VanDerWaalsContact C-N 3.29Å; L112-E114 PolarHBondContact O-N 2.71Å; E114-Y182 VanDerWaalsContact OE2-CB 3.29Å; E114-Y182 WeakPolarHBondContact OE2-CB 3.41Å; E114-S186 VanDerWaalsContact CD-OG 3.31Å; E114-S186 WeakPolarHBondContact OE2-CB 3.3Å; E114-S186 PolarHBondContact OE2-OG 2.69Å
115N85.4Confident93.4Very high83 Ų8330.9 Ų30.944%0.44415%0.147SC..Hα-helixtrans-101.5-0.9-173.7-58.4-77000115.1M87 F111M87-N115 HydrophobicContact CE-CB 4.08Å; F111-N115 VanDerWaalsContact O-CB 3.31Å; F111-N115 WeakPolarHBondContact O-CB 3.24Å; F111-N115 PolarHBondContact O-N 2.81Å; F111-N115 PolarHBondContact O-ND2 3.31Å
116T90.1Very high93.5Very high22 Ų2234 Ų3414%0.13516%0.162CC..SBendtrans-133.4164.3-178.184.30000112.9M87 W92 L112 F118M87-T116 HydrophobicContact CE-CG2 3.51Å; M87-T116 HydrophobicContact SD-CG2 4.43Å; W92-T116 HydrophobicContact CB-CG2 4.41Å; W92-T116 HydrophobicContact CD2-CG2 3.73Å; W92-T116 HydrophobicContact CE3-CG2 4.33Å; W92-T116 HydrophobicContact CG-CG2 3.71Å; L112-T116 HydrophobicContact CD2-CG2 4.11Å; L112-T116 WeakPolarHBondContact O-CB 3.39Å; L112-T116 PolarHBondContact O-N 2.97Å; L112-T116 VanDerWaalsContact O-N 3.09Å; L112-T116 PolarHBondContact O-OG1 3.42Å; T116-F118 VanDerWaalsContact C-N 3.29Å; T116-F118 PolarHBondContact O-N 2.9Å; T116-F118 WeakPolarHBondContact OG1-CB 3.47Å; T116-F118 PolarHBondContact OG1-N 3.37Å
117N90Very high93.6Very high89 Ų8934 Ų3448%0.47616%0.162SC..  trans-88.216.8175.4-70.3-31.7000113.6E93 R119E93-N117 HydrophobicContact CG-CB 3.69Å; E93-N117 WeakPolarHBondContact OE1-CB 3.45Å; E93-N117 PolarHBondContact OE1-ND2 3.48Å; N117-R119 WeakPolarHBondContact O-CG 3.36Å; N117-R119 PolarHBondContact O-N 2.95Å
118F93.9Very high93.8Very high12 Ų1233.8 Ų33.85%0.05316%0.161CC..  trans-50.3133.6-178.6173.5-104.9000112.8W92 I95 I98 F113 T116 G120 V122W92-F118 HydrophobicContact CB-CB 4.41Å; I95-F118 HydrophobicContact CB-CD2 4.13Å; I95-F118 HydrophobicContact CB-CE2 4.09Å; I95-F118 HydrophobicContact CG2-CD2 4.34Å; I95-F118 HydrophobicContact CG2-CE2 3.88Å; I95-F118 WeakPolarHBondContact O-CE2 3.32Å; I98-F118 HydrophobicContact CD1-CD1 4.14Å; I98-F118 HydrophobicContact CD1-CD2 4.3Å; I98-F118 HydrophobicContact CD1-CE1 3.7Å; I98-F118 HydrophobicContact CD1-CE2 3.87Å; I98-F118 HydrophobicContact CD1-CG 4.43Å; I98-F118 HydrophobicContact CD1-CZ 3.54Å; I98-F118 HydrophobicContact CG1-CE1 4.22Å; I98-F118 HydrophobicContact CG1-CE2 3.76Å; I98-F118 HydrophobicContact CG1-CZ 3.55Å; F113-F118 HydrophobicContact CE1-CD1 4.03Å; F113-F118 HydrophobicContact CE1-CE1 4.32Å; F113-F118 HydrophobicContact CE2-CD1 4.5Å; F113-F118 HydrophobicContact CE2-CE1 4.48Å; F113-F118 AromaticContact CZ-CD1 3.97Å; F113-F118 HydrophobicContact CZ-CD1 3.97Å; F113-F118 AromaticContact CZ-CE1 3.9Å; F113-F118 HydrophobicContact CZ-CE1 3.9Å; T116-F118 VanDerWaalsContact C-N 3.29Å; T116-F118 PolarHBondContact O-N 2.9Å; T116-F118 WeakPolarHBondContact OG1-CB 3.47Å; T116-F118 PolarHBondContact OG1-N 3.37Å; F118-G120 WeakPolarHBondContact CE1-O 3.47Å; F118-G120 VanDerWaalsContact CE2-CA 3.49Å; F118-G120 VanDerWaalsContact CE2-N 3.35Å; F118-G120 WeakPolarHBondContact CZ-O 3.43Å; F118-V122 HydrophobicContact CE1-CG2 3.85Å; F118-V122 HydrophobicContact CZ-CG2 4.23Å
119R89.9Confident94.1Very high197 Ų19734.4 Ų34.474%0.74316%0.164SC*.  trans-1359.3178.4-45.9-163.7-170.8-71.1-7.1114.2N117N117-R119 WeakPolarHBondContact O-CG 3.36Å; N117-R119 PolarHBondContact O-N 2.95Å
120G93.9Very high94.2Very high22 Ų2236.9 Ų36.923%0.22718%0.175CC..SBendtrans-72.3-177.9176.100000112.4D96 F118D96-G120 CarbonylContact O-C 3.48Å; D96-G120 WeakPolarHBondContact O-CA 3.42Å; F118-G120 WeakPolarHBondContact CE1-O 3.47Å; F118-G120 VanDerWaalsContact CE2-CA 3.49Å; F118-G120 VanDerWaalsContact CE2-N 3.35Å; F118-G120 WeakPolarHBondContact CZ-O 3.43Å
121K96.4Very high94.3Very high86 Ų8637.2 Ų37.237%0.37418%0.177SC..EExtended strand (participates in β ladder)trans-86.2152.2173.2-68.7-175.9-179.8179.20111.1D96 V97 I98 F123D96-K121 PolarHBondContact O-N 2.64Å; V97-K121 CarbonylContact C-O 3.56Å; V97-K121 VanDerWaalsContact CA-O 3.26Å; V97-K121 WeakPolarHBondContact CA-O 3.07Å; I98-K121 PolarHBondContact N-O 3.24Å; K121-F123 HydrophobicContact CB-CD2 4.44Å; K121-F123 HydrophobicContact CB-CE2 3.73Å; K121-F123 HydrophobicContact CB-CZ 4.05Å; K121-F123 HydrophobicContact CD-CE2 4.13Å; K121-F123 HydrophobicContact CD-CZ 3.71Å
122V98.2Very high94.6Very high0 Ų036.9 Ų36.90%018%0.175CC..EExtended strand (participates in β ladder)trans-115.2134.9167.4-171.90000108.5I98 V100 L109 F113 F118 I194 H195I98-V122 HydrophobicContact CB-CG1 4.23Å; I98-V122 HydrophobicContact CB-CG2 4.24Å; I98-V122 HydrophobicContact CD1-CG2 4.22Å; I98-V122 HydrophobicContact CG2-CG1 4.44Å; I98-V122 WeakPolarHBondContact O-CA 3.3Å; V100-V122 HydrophobicContact CG2-CG1 3.68Å; L109-V122 HydrophobicContact CD1-CG1 4Å; L109-V122 HydrophobicContact CD2-CG1 3.97Å; L109-V122 HydrophobicContact CD2-CG2 4.36Å; F113-V122 HydrophobicContact CE2-CG2 4.02Å; F113-V122 HydrophobicContact CZ-CG2 4Å; F118-V122 HydrophobicContact CE1-CG2 3.85Å; F118-V122 HydrophobicContact CZ-CG2 4.23Å; V122-I194 HydrophobicContact CB-CG1 4.18Å; V122-I194 HydrophobicContact CG1-CG1 3.98Å; V122-I194 HydrophobicContact CG1-CG2 4.28Å; V122-H195 WeakPolarHBondContact O-CB 3.28Å; V122-H195 PolarHBondContact O-N 3.08Å
123F98.5Very high94.8Very high8 Ų840.5 Ų40.54%0.03519%0.191CC..EExtended strand (participates in β ladder)trans-121.8135.8174.3-62.4-82000111.5V97 I98 L99 V100 K121 H195 V197 V203 L205 I211 W225V97-F123 HydrophobicContact CG1-CD2 3.48Å; V97-F123 VanDerWaalsContact CG1-CD2 3.48Å; V97-F123 HydrophobicContact CG1-CE2 3.7Å; V97-F123 HydrophobicContact CG2-CE2 4.21Å; I98-F123 PolarHBondContact O-N 3.15Å; L99-F123 HydrophobicContact CD2-CB 4.07Å; L99-F123 HydrophobicContact CD2-CD2 4.04Å; L99-F123 HydrophobicContact CD2-CG 4.49Å; V100-F123 WeakPolarHBondContact CB-O 3.06Å; V100-F123 PolarHBondContact N-O 3.17Å; K121-F123 HydrophobicContact CB-CD2 4.44Å; K121-F123 HydrophobicContact CB-CE2 3.73Å; K121-F123 HydrophobicContact CB-CZ 4.05Å; K121-F123 HydrophobicContact CD-CE2 4.13Å; K121-F123 HydrophobicContact CD-CZ 3.71Å; F123-H195 WeakPolarHBondContact CA-O 3.39Å; F123-H195 HydrophobicContact CD1-CB 3.47Å; F123-H195 VanDerWaalsContact CD1-CB 3.47Å; F123-H195 HydrophobicContact CE1-CB 3.55Å; F123-H195 AromaticContact CE1-CG 3.96Å; F123-H195 HydrophobicContact CG-CB 4.43Å; F123-V197 HydrophobicContact CB-CG2 4.02Å; F123-V197 HydrophobicContact CD1-CG2 3.6Å; F123-V197 HydrophobicContact CG-CG2 4.23Å; F123-V203 HydrophobicContact CD1-CG1 4.41Å; F123-V203 HydrophobicContact CE1-CG1 3.7Å; F123-V203 HydrophobicContact CZ-CG1 3.92Å; F123-L205 HydrophobicContact CD2-CD2 4.48Å; F123-L205 HydrophobicContact CE2-CD2 3.57Å; F123-L205 HydrophobicContact CZ-CD2 3.87Å; F123-I211 HydrophobicContact CB-CD1 4.3Å; F123-I211 HydrophobicContact CD2-CD1 3.83Å; F123-I211 HydrophobicContact CE2-CD1 4.26Å; F123-I211 HydrophobicContact CG-CD1 3.98Å; F123-W225 HydrophobicContact CB-CH2 4.01Å
124A98.5Very high95Very high0 Ų039.6 Ų39.60%019%0.187CC..EExtended strand (participates in β ladder)trans-153.1164.7176.900000110.4V100 V128 V129 I194 H195 L196 V197V100-A124 HydrophobicContact CB-CB 3.88Å; V100-A124 HydrophobicContact CG1-CB 4.43Å; V100-A124 HydrophobicContact CG2-CB 4.4Å; A124-V128 HydrophobicContact CB-CG1 4.44Å; A124-V129 HydrophobicContact CB-CG2 3.68Å; A124-I194 HydrophobicContact CB-CG2 3.69Å; A124-H195 PolarHBondContact N-O 3.2Å; A124-L196 CarbonylContact O-C 3.56Å; A124-L196 WeakPolarHBondContact O-CA 3.29Å; A124-V197 PolarHBondContact O-N 3.47Å
125T98.3Very high95.4Very high2 Ų236 Ų361%0.01217%0.171CC..  trans-78.5152.9166.164.90000110.7V128 V129 V197 Y199 G221 C223 W438T125-V128 PolarHBondContact O-N 3.31Å; T125-V128 WeakPolarHBondContact OG1-CB 3.36Å; T125-V128 VanDerWaalsContact OG1-CG2 3.3Å; T125-V128 WeakPolarHBondContact OG1-CG2 2.78Å; T125-V129 PolarHBondContact O-N 3.42Å; T125-V197 WeakPolarHBondContact CA-O 3.22Å; T125-Y199 HydrophobicContact CG2-CE1 4.32Å; T125-G221 WeakPolarHBondContact CB-O 3.43Å; T125-G221 VanDerWaalsContact CG2-O 3.28Å; T125-G221 WeakPolarHBondContact CG2-O 3.22Å; T125-G221 PolarHBondContact OG1-O 3.18Å; T125-C223 HydrophobicContact CG2-CB 4.14Å; T125-W438 HydrophobicContact CG2-CH2 4.01Å; T125-W438 HydrophobicContact CG2-CZ3 3.76Å
126E97.8Very high95.9Very high67 Ų6732 Ų3231%0.31315%0.149SC..Hα-helixtrans-59.8-44.6-179.3-171.4174.3-179.300113.9V128 V129 K130 L196 Y435E126-V128 VanDerWaalsContact C-N 3.32Å; E126-V128 PolarHBondContact O-N 3.41Å; E126-V129 PolarHBondContact O-N 3.43Å; E126-V129 VanDerWaalsContact O-N 3.17Å; E126-K130 HydrophobicContact CG-CD 4.29Å; E126-K130 HydrophobicContact CG-CG 4.25Å; E126-K130 WeakPolarHBondContact O-CG 3.48Å; E126-K130 PolarHBondContact O-N 3.25Å; E126-K130 WeakPolarHBondContact OE1-CE 3.45Å; E126-K130 IonicContact OE1-NZ 3.23Å; E126-K130 PolarHBondContact OE1-NZ 3.14Å; E126-L196 HydrophobicContact CB-CD1 4.1Å; E126-L196 HydrophobicContact CB-CD2 4.42Å; E126-L196 HydrophobicContact CG-CD1 3.93Å; E126-Y435 HydrophobicContact CG-CE1 4.17Å; E126-Y435 PolarHBondContact OE1-OH 2.97Å
127P98Very high96.1Very high0 Ų032.1 Ų32.10%015%0.149CC..Hα-helixtrans-64-36.6179.7-18.830.5000112.4V129 K130 F131 I220 Y435 W438P127-V129 VanDerWaalsContact C-N 3.32Å; P127-V129 PolarHBondContact O-N 3.02Å; P127-K130 PolarHBondContact O-N 3.09Å; P127-F131 HydrophobicContact CB-CD2 4.17Å; P127-F131 HydrophobicContact CB-CE2 4.26Å; P127-F131 WeakPolarHBondContact O-CB 3.37Å; P127-F131 VanDerWaalsContact O-CD2 3.22Å; P127-F131 WeakPolarHBondContact O-CD2 3.38Å; P127-F131 PolarHBondContact O-N 3.19Å; P127-I220 HydrophobicContact CB-CG2 3.87Å; P127-I220 HydrophobicContact CG-CG2 4.31Å; P127-Y435 HydrophobicContact CB-CD2 4.28Å; P127-Y435 HydrophobicContact CB-CG 4.19Å; P127-Y435 HydrophobicContact CG-CD1 3.83Å; P127-Y435 HydrophobicContact CG-CD2 4.41Å; P127-Y435 HydrophobicContact CG-CE1 4.36Å; P127-Y435 HydrophobicContact CG-CG 3.87Å; P127-W438 HydrophobicContact CG-CB 4.42Å; P127-W438 HydrophobicContact CG-CD2 3.53Å; P127-W438 HydrophobicContact CG-CE3 4.06Å; P127-W438 HydrophobicContact CG-CG 3.7Å; P127-W438 HydrophobicContact CG-CZ2 4.14Å
128V98Very high96.2Very high0 Ų028.1 Ų28.10%013%0.128CC..Hα-helixtrans-59.5-43.2174.8161.30000110.9V100 I106 A124 T125 E126 G132 G221V100-V128 HydrophobicContact CG1-CG1 3.99Å; I106-V128 HydrophobicContact CD1-CG1 4.14Å; I106-V128 HydrophobicContact CG1-CG1 3.8Å; A124-V128 HydrophobicContact CB-CG1 4.44Å; T125-V128 PolarHBondContact O-N 3.31Å; T125-V128 WeakPolarHBondContact OG1-CB 3.36Å; T125-V128 VanDerWaalsContact OG1-CG2 3.3Å; T125-V128 WeakPolarHBondContact OG1-CG2 2.78Å; E126-V128 VanDerWaalsContact C-N 3.32Å; E126-V128 PolarHBondContact O-N 3.41Å; V128-G132 WeakPolarHBondContact O-CA 3.21Å; V128-G132 PolarHBondContact O-N 3.46Å; V128-G221 WeakPolarHBondContact CG2-O 3.39Å
129V98.1Very high96.1Very high13 Ų1328 Ų288%0.07913%0.127CC..Hα-helixtrans-64.7-44175178.30000111.4I106 A124 T125 E126 P127 K133 L191 I194 L196I106-V129 HydrophobicContact CD1-CG2 4.13Å; A124-V129 HydrophobicContact CB-CG2 3.68Å; T125-V129 PolarHBondContact O-N 3.42Å; E126-V129 PolarHBondContact O-N 3.43Å; E126-V129 VanDerWaalsContact O-N 3.17Å; P127-V129 VanDerWaalsContact C-N 3.32Å; P127-V129 PolarHBondContact O-N 3.02Å; V129-K133 WeakPolarHBondContact O-CB 3.14Å; V129-K133 PolarHBondContact O-N 3.38Å; V129-L191 HydrophobicContact CG1-CD2 4.36Å; V129-I194 HydrophobicContact CG1-CD1 4.32Å; V129-I194 HydrophobicContact CG2-CB 4.43Å; V129-I194 HydrophobicContact CG2-CD1 3.9Å; V129-I194 HydrophobicContact CG2-CG2 3.86Å; V129-L196 HydrophobicContact CB-CD2 4.38Å; V129-L196 HydrophobicContact CG2-CD2 3.86Å
130K97.5Very high96.2Very high52 Ų5219 Ų1923%0.2269%0.094CC..Hα-helixtrans-65.6-49.9-179.6-66.6-29.6-170.9-148.80113.1E126 P127 G132 K133 I134 Y431 Y435E126-K130 HydrophobicContact CG-CD 4.29Å; E126-K130 HydrophobicContact CG-CG 4.25Å; E126-K130 WeakPolarHBondContact O-CG 3.48Å; E126-K130 PolarHBondContact O-N 3.25Å; E126-K130 WeakPolarHBondContact OE1-CE 3.45Å; E126-K130 IonicContact OE1-NZ 3.23Å; E126-K130 PolarHBondContact OE1-NZ 3.14Å; P127-K130 PolarHBondContact O-N 3.09Å; K130-G132 VanDerWaalsContact C-N 3.33Å; K130-K133 WeakPolarHBondContact O-CB 3.34Å; K130-K133 PolarHBondContact O-N 2.95Å; K130-I134 PolarHBondContact O-N 3.31Å; K130-Y431 HydrophobicContact CB-CD2 3.71Å; K130-Y431 HydrophobicContact CB-CE2 3.63Å; K130-Y431 HydrophobicContact CG-CD2 4.32Å; K130-Y431 HydrophobicContact CG-CE2 4.04Å; K130-Y435 HydrophobicContact CB-CE2 4.2Å; K130-Y435 WeakPolarHBondContact CE-OH 3.33Å; K130-Y435 HydrophobicContact CG-CE2 3.68Å; K130-Y435 VanDerWaalsContact CG-OH 3.28Å; K130-Y435 WeakPolarHBondContact CG-OH 3.45Å
131F97.3Very high96Very high7 Ų719.2 Ų19.23%0.0319%0.092CC..Hα-helixtrans-70.6-31.7178.3-70.5-65.6000111.2T103 P127 K133 I134 L135 I220 F306T103-F131 HydrophobicContact CG2-CB 3.57Å; P127-F131 HydrophobicContact CB-CD2 4.17Å; P127-F131 HydrophobicContact CB-CE2 4.26Å; P127-F131 WeakPolarHBondContact O-CB 3.37Å; P127-F131 VanDerWaalsContact O-CD2 3.22Å; P127-F131 WeakPolarHBondContact O-CD2 3.38Å; P127-F131 PolarHBondContact O-N 3.19Å; F131-K133 VanDerWaalsContact C-N 3.34Å; F131-K133 PolarHBondContact O-N 3.46Å; F131-I134 HydrophobicContact CD1-CD1 3.78Å; F131-I134 HydrophobicContact CE1-CD1 4.17Å; F131-I134 WeakPolarHBondContact O-CB 3.3Å; F131-I134 PolarHBondContact O-N 3.35Å; F131-I134 VanDerWaalsContact O-N 3.16Å; F131-L135 PolarHBondContact O-N 3.22Å; F131-I220 HydrophobicContact CD2-CB 4.33Å; F131-I220 HydrophobicContact CE2-CB 3.84Å; F131-I220 HydrophobicContact CE2-CD1 3.9Å; F131-I220 HydrophobicContact CE2-CG1 4.4Å; F131-I220 HydrophobicContact CE2-CG2 4.03Å; F131-I220 HydrophobicContact CZ-CD1 3.92Å; F131-F306 HydrophobicContact CE1-CE2 4.21Å; F131-F306 HydrophobicContact CE1-CZ 4.01Å; F131-F306 HydrophobicContact CZ-CE2 4.33Å; F131-F306 HydrophobicContact CZ-CZ 4.47Å
132G96.3Very high95.5Very high0 Ų015.5 Ų15.50%08%0.076CC..Hα-helixtrans-61.9-43.1171.700000111.7T103 V128 K130 I134 L135 I136T103-G132 VanDerWaalsContact CG2-N 3.32Å; V128-G132 WeakPolarHBondContact O-CA 3.21Å; V128-G132 PolarHBondContact O-N 3.46Å; K130-G132 VanDerWaalsContact C-N 3.33Å; G132-I134 VanDerWaalsContact C-N 3.33Å; G132-I134 PolarHBondContact O-N 3.46Å; G132-L135 PolarHBondContact O-N 2.57Å; G132-I136 WeakPolarHBondContact O-CG1 2.92Å; G132-I136 PolarHBondContact O-N 3.16Å
133K96.7Very high95Very high75 Ų7517 Ų1733%0.3268%0.084SC..Hα-helixtrans-62.1-37.5172.2-167.3-180-170.1-59.70112.5V129 K130 F131 I136 D137 L191V129-K133 WeakPolarHBondContact O-CB 3.14Å; V129-K133 PolarHBondContact O-N 3.38Å; K130-K133 WeakPolarHBondContact O-CB 3.34Å; K130-K133 PolarHBondContact O-N 2.95Å; F131-K133 VanDerWaalsContact C-N 3.34Å; F131-K133 PolarHBondContact O-N 3.46Å; K133-I136 PolarHBondContact O-N 2.99Å; K133-D137 IonicContact NZ-OD1 2.93Å; K133-D137 PolarHBondContact NZ-OD1 3.08Å; K133-D137 IonicContact NZ-OD2 2.75Å; K133-D137 PolarHBondContact NZ-OD2 3.22Å; K133-D137 WeakPolarHBondContact O-CB 3.41Å; K133-D137 PolarHBondContact O-N 2.59Å; K133-L191 HydrophobicContact CB-CD1 3.79Å; K133-L191 HydrophobicContact CD-CD1 3.86Å; K133-L191 HydrophobicContact CG-CD1 3.69Å
134I96.1Very high94.3Very high3 Ų321.1 Ų21.12%0.01511%0.106CC..Hα-helixtrans-59.8-48.6173.6-79165000111.2K130 F131 G132 I136 D137 D138 P301 Q424 V427 Y431K130-I134 PolarHBondContact O-N 3.31Å; F131-I134 HydrophobicContact CD1-CD1 3.78Å; F131-I134 HydrophobicContact CE1-CD1 4.17Å; F131-I134 WeakPolarHBondContact O-CB 3.3Å; F131-I134 PolarHBondContact O-N 3.35Å; F131-I134 VanDerWaalsContact O-N 3.16Å; G132-I134 VanDerWaalsContact C-N 3.33Å; G132-I134 PolarHBondContact O-N 3.46Å; I134-I136 VanDerWaalsContact C-N 3.33Å; I134-I136 PolarHBondContact O-N 2.91Å; I134-D137 PolarHBondContact O-N 2.8Å; I134-D138 WeakPolarHBondContact O-CB 3.05Å; I134-D138 PolarHBondContact O-N 3.06Å; I134-P301 HydrophobicContact CG2-CB 4.22Å; I134-P301 HydrophobicContact CG2-CG 3.79Å; I134-Q424 HydrophobicContact CB-CB 4.44Å; I134-Q424 HydrophobicContact CG1-CB 4.31Å; I134-Q424 HydrophobicContact CG2-CB 3.89Å; I134-Q424 HydrophobicContact CG2-CG 4.47Å; I134-V427 HydrophobicContact CD1-CB 4.42Å; I134-V427 HydrophobicContact CD1-CG1 4.12Å; I134-V427 HydrophobicContact CG1-CB 4.5Å; I134-V427 HydrophobicContact CG1-CG1 4.25Å; I134-Y431 HydrophobicContact CD1-CD2 3.52Å; I134-Y431 HydrophobicContact CD1-CE2 3.98Å; I134-Y431 HydrophobicContact CG1-CD2 4.5Å
135L94.4Very high93.4Very high18 Ų1823.4 Ų23.49%0.09412%0.117CC..Hα-helixtrans-62.1-41.4178-61.7-176.1000111.8T103 L107 F131 G132 L139 N300 P301T103-L135 HydrophobicContact CG2-CD1 3.76Å; T103-L135 HydrophobicContact CG2-CG 4.28Å; L107-L135 HydrophobicContact CD2-CB 4.14Å; F131-L135 PolarHBondContact O-N 3.22Å; G132-L135 PolarHBondContact O-N 2.57Å; L135-L139 VanDerWaalsContact O-CB 3.29Å; L135-L139 WeakPolarHBondContact O-CB 3.38Å; L135-L139 PolarHBondContact O-N 2.77Å; L135-L139 VanDerWaalsContact O-N 3.12Å; L135-N300 HydrophobicContact CD2-CB 4.18Å; L135-P301 HydrophobicContact CD2-CG 4.03Å
136I95Very high92.5Very high0 Ų024.8 Ų24.80%012%0.124CC..Hα-helixtrans-64.1-50.8177.5-72.4176.7000112I106 L107 P110 G132 K133 I134 D138 L139 L140 Y182 V187I106-I136 HydrophobicContact CG2-CD1 3.83Å; L107-I136 HydrophobicContact CD2-CG1 3.78Å; P110-I136 HydrophobicContact CG-CD1 4.27Å; G132-I136 WeakPolarHBondContact O-CG1 2.92Å; G132-I136 PolarHBondContact O-N 3.16Å; K133-I136 PolarHBondContact O-N 2.99Å; I134-I136 VanDerWaalsContact C-N 3.33Å; I134-I136 PolarHBondContact O-N 2.91Å; I136-D138 VanDerWaalsContact C-N 3.35Å; I136-D138 PolarHBondContact O-N 3.37Å; I136-L139 PolarHBondContact O-N 2.98Å; I136-L140 HydrophobicContact CG2-CD1 3.74Å; I136-L140 WeakPolarHBondContact O-CB 3.44Å; I136-L140 WeakPolarHBondContact O-CG 3.28Å; I136-L140 PolarHBondContact O-N 3.3Å; I136-Y182 WeakPolarHBondContact CG1-OH 3.42Å; I136-Y182 HydrophobicContact CG2-CE2 4.03Å; I136-V187 HydrophobicContact CD1-CG1 4.37Å; I136-V187 HydrophobicContact CG2-CB 4.26Å; I136-V187 HydrophobicContact CG2-CG1 3.73Å; I136-V187 HydrophobicContact CG2-CG2 3.48Å; I136-V187 VanDerWaalsContact CG2-CG2 3.48Å
137D94.3Very high90.9Very high24 Ų2428.8 Ų28.813%0.12814%0.141CC..Hα-helixtrans-69.6-32.3-176.1-71.3-28.1000111.9K133 I134 C141 Q424K133-D137 IonicContact NZ-OD1 2.93Å; K133-D137 PolarHBondContact NZ-OD1 3.08Å; K133-D137 IonicContact NZ-OD2 2.75Å; K133-D137 PolarHBondContact NZ-OD2 3.22Å; K133-D137 WeakPolarHBondContact O-CB 3.41Å; K133-D137 PolarHBondContact O-N 2.59Å; I134-D137 PolarHBondContact O-N 2.8Å; D137-C141 WeakPolarHBondContact O-CB 3.42Å; D137-C141 PolarHBondContact O-N 3Å; D137-C141 PolarHBondContact O-SG 2.88Å; D137-Q424 HydrophobicContact CB-CG 3.98Å; D137-Q424 VanDerWaalsContact CB-NE2 3.32Å
138D92.5Very high89Confident5 Ų535.5 Ų35.53%0.02717%0.172CC..Hα-helixtrans-66.5-51.2174.2-154.974.1000110.3I134 I136 L140 C141 E142 P301 S422 N423 Q424 S570I134-D138 WeakPolarHBondContact O-CB 3.05Å; I134-D138 PolarHBondContact O-N 3.06Å; I136-D138 VanDerWaalsContact C-N 3.35Å; I136-D138 PolarHBondContact O-N 3.37Å; D138-L140 VanDerWaalsContact C-N 3.33Å; D138-L140 PolarHBondContact O-N 3.21Å; D138-C141 PolarHBondContact O-N 2.74Å; D138-C141 VanDerWaalsContact O-N 3.13Å; D138-E142 WeakPolarHBondContact O-CG 3.26Å; D138-E142 PolarHBondContact O-N 3.05Å; D138-P301 HydrophobicContact CB-CG 4.27Å; D138-S422 WeakPolarHBondContact OD1-CB 3.42Å; D138-S422 PolarHBondContact OD1-OG 3.38Å; D138-N423 PolarHBondContact OD1-N 3.17Å; D138-Q424 HydrophobicContact CB-CG 4.01Å; D138-Q424 PolarHBondContact OD1-N 3.25Å; D138-S570 WeakPolarHBondContact OD2-CB 3.41Å; D138-S570 PolarHBondContact OD2-OG 2.92Å
139L91.6Very high87Confident8 Ų838.1 Ų38.14%0.04219%0.19CC..Hα-helixtrans-57-42.7175.9173.156.5000112.4L31 F79 L135 I136 E142 L143 F181 P572 L576L31-L139 HydrophobicContact CD2-CD2 4.38Å; F79-L139 HydrophobicContact CE1-CD1 4.5Å; F79-L139 HydrophobicContact CE1-CD2 4.37Å; F79-L139 HydrophobicContact CZ-CD1 4.33Å; L135-L139 VanDerWaalsContact O-CB 3.29Å; L135-L139 WeakPolarHBondContact O-CB 3.38Å; L135-L139 PolarHBondContact O-N 2.77Å; L135-L139 VanDerWaalsContact O-N 3.12Å; I136-L139 PolarHBondContact O-N 2.98Å; L139-E142 PolarHBondContact O-N 2.81Å; L139-L143 HydrophobicContact CD1-CD1 3.87Å; L139-L143 HydrophobicContact CD1-CG 4.12Å; L139-L143 HydrophobicContact CG-CD1 4.06Å; L139-L143 VanDerWaalsContact O-CG 3.31Å; L139-L143 WeakPolarHBondContact O-CG 3.35Å; L139-L143 PolarHBondContact O-N 3.3Å; L139-F181 HydrophobicContact CD2-CE1 3.77Å; L139-F181 HydrophobicContact CD2-CE2 3.78Å; L139-F181 HydrophobicContact CD2-CZ 3.35Å; L139-F181 HydrophobicContact CG-CD1 4.44Å; L139-F181 HydrophobicContact CG-CE1 3.92Å; L139-F181 HydrophobicContact CG-CZ 4.04Å; L139-P572 HydrophobicContact CD1-CB 4.16Å; L139-P572 HydrophobicContact CD1-CG 3.56Å; L139-L576 HydrophobicContact CD1-CD1 3.93Å
140L92.1Very high84.6Confident10 Ų1047 Ų475%0.05223%0.231CC..Hα-helixtrans-63.3-43.7174.9-83166.1000112.6I136 D138 E142 L143 D144 F181 R184 V187I136-L140 HydrophobicContact CG2-CD1 3.74Å; I136-L140 WeakPolarHBondContact O-CB 3.44Å; I136-L140 WeakPolarHBondContact O-CG 3.28Å; I136-L140 PolarHBondContact O-N 3.3Å; D138-L140 VanDerWaalsContact C-N 3.33Å; D138-L140 PolarHBondContact O-N 3.21Å; L140-E142 VanDerWaalsContact C-N 3.31Å; L140-E142 PolarHBondContact O-N 3.05Å; L140-L143 PolarHBondContact O-N 3.1Å; L140-D144 VanDerWaalsContact O-CG 3.32Å; L140-D144 PolarHBondContact O-N 2.79Å; L140-F181 HydrophobicContact CD2-CD1 3.73Å; L140-F181 HydrophobicContact CD2-CE1 4.19Å; L140-F181 HydrophobicContact CG-CD1 4.02Å; L140-F181 HydrophobicContact CG-CE1 3.97Å; L140-R184 HydrophobicContact CD1-CG 3.89Å; L140-V187 HydrophobicContact CD1-CG2 4.1Å
141C89.4Confident82.4Confident26 Ų2649.6 Ų49.618%0.17625%0.251CS..Hα-helixtrans-66.5-30.7177.6-72.10000112.9D137 D138 Q145 N423D137-C141 WeakPolarHBondContact O-CB 3.42Å; D137-C141 PolarHBondContact O-N 3Å; D137-C141 PolarHBondContact O-SG 2.88Å; D138-C141 PolarHBondContact O-N 2.74Å; D138-C141 VanDerWaalsContact O-N 3.13Å; C141-Q145 VanDerWaalsContact O-CG 3.31Å; C141-Q145 WeakPolarHBondContact O-CG 3.46Å; C141-Q145 PolarHBondContact O-N 3.08Å; C141-Q145 PolarHBondContact O-NE2 2.99Å; C141-N423 HydrophobicContact CB-CB 3.78Å; C141-N423 VanDerWaalsContact CB-CG 3.46Å
142E86.3Confident80.1Confident8 Ų855.7 Ų55.74%0.03728%0.284CS..Hα-helixtrans-77.6-27.7172.9-58.1-47.7146.900113.3D138 L139 L140 Q145 N423 L576 G577D138-E142 WeakPolarHBondContact O-CG 3.26Å; D138-E142 PolarHBondContact O-N 3.05Å; L139-E142 PolarHBondContact O-N 2.81Å; L140-E142 VanDerWaalsContact C-N 3.31Å; L140-E142 PolarHBondContact O-N 3.05Å; E142-Q145 PolarHBondContact OE2-NE2 3.47Å; E142-N423 PolarHBondContact OE1-ND2 3.15Å; E142-L576 HydrophobicContact CB-CD1 4.02Å; E142-G577 WeakPolarHBondContact OE2-CA 3.42Å
143L87.9Confident78.2Confident31 Ų3156.8 Ų56.816%0.16229%0.291CS..Hα-helixtrans-74.9-42.9173.7-73.7168.5000112.4F77 F79 L139 L140 Q145 L146 F181 L576F77-L143 HydrophobicContact CB-CD2 4.39Å; F77-L143 HydrophobicContact CD2-CD2 4.16Å; F79-L143 HydrophobicContact CE2-CD1 4.07Å; F79-L143 HydrophobicContact CE2-CD2 4.31Å; F79-L143 HydrophobicContact CZ-CD1 3.95Å; F79-L143 HydrophobicContact CZ-CD2 4.24Å; L139-L143 HydrophobicContact CD1-CD1 3.87Å; L139-L143 HydrophobicContact CD1-CG 4.12Å; L139-L143 HydrophobicContact CG-CD1 4.06Å; L139-L143 VanDerWaalsContact O-CG 3.31Å; L139-L143 WeakPolarHBondContact O-CG 3.35Å; L139-L143 PolarHBondContact O-N 3.3Å; L140-L143 PolarHBondContact O-N 3.1Å; L143-Q145 PolarHBondContact O-N 2.59Å; L143-L146 HydrophobicContact CD2-CD1 4.42Å; L143-L146 WeakPolarHBondContact O-CB 3.49Å; L143-L146 PolarHBondContact O-N 2.99Å; L143-F181 HydrophobicContact CD1-CB 3.66Å; L143-F181 HydrophobicContact CD1-CD1 3.71Å; L143-F181 HydrophobicContact CD1-CG 3.77Å; L143-L576 HydrophobicContact CD2-CD1 3.75Å; L143-L576 HydrophobicContact CG-CD1 3.9Å
144D85Confident76.4Confident94 Ų9455.8 Ų55.850%0.50329%0.289SS..Hα-helixtrans-61.1-25.8175-73.4-13.6000112.9L140 L146 R184L140-D144 VanDerWaalsContact O-CG 3.32Å; L140-D144 PolarHBondContact O-N 2.79Å; D144-L146 PolarHBondContact O-N 2.88Å; D144-R184 IonicContact OD1-NH1 2.71Å; D144-R184 IonicContact OD2-CZ 3.74Å; D144-R184 IonicContact OD2-NH1 3.12Å; D144-R184 PolarHBondContact OD2-NH1 2.88Å; D144-R184 IonicContact OD2-NH2 3.01Å; D144-R184 PolarHBondContact OD2-NH2 3.26Å
145Q79.1Confident74.7Confident49 Ų4955.7 Ų55.723%0.22929%0.289CS..THydrogen-bonded Turntrans-75.26.7174.2-79.2175.994.600113.1Q42 C141 E142 L143Q42-Q145 VanDerWaalsContact CB-O 3.23Å; Q42-Q145 WeakPolarHBondContact CB-O 3.44Å; Q42-Q145 WeakPolarHBondContact CG-O 3.36Å; Q42-Q145 PolarHBondContact NE2-O 3.13Å; C141-Q145 VanDerWaalsContact O-CG 3.31Å; C141-Q145 WeakPolarHBondContact O-CG 3.46Å; C141-Q145 PolarHBondContact O-N 3.08Å; C141-Q145 PolarHBondContact O-NE2 2.99Å; E142-Q145 PolarHBondContact OE2-NE2 3.47Å; L143-Q145 PolarHBondContact O-N 2.59Å
146L78.3Confident72.9Confident31 Ų3157.8 Ų57.816%0.16231%0.305CS..SBendtrans-109.2139.4175.3-55.3177000110.1K40 F77 L143 D144 E148K40-L146 HydrophobicContact CB-CD1 4.4Å; K40-L146 HydrophobicContact CB-CD2 4.02Å; F77-L146 HydrophobicContact CD2-CD1 3.71Å; F77-L146 HydrophobicContact CE2-CD1 3.57Å; L143-L146 HydrophobicContact CD2-CD1 4.42Å; L143-L146 WeakPolarHBondContact O-CB 3.49Å; L143-L146 PolarHBondContact O-N 2.99Å; D144-L146 PolarHBondContact O-N 2.88Å; L146-E148 PolarHBondContact O-N 2.74Å
147F64.5Low70.9Confident151 Ų15165.1 Ų65.166%0.66234%0.337SS*.PPolyproline II helixtrans-71.2126.3169.4-66.4-62.2000108.6Q42 S149Q42-F147 HydrophobicContact CG-CD2 3.93Å; Q42-F147 HydrophobicContact CG-CE2 3.9Å; Q42-F147 VanDerWaalsContact OE1-CE2 3.26Å; Q42-F147 VanDerWaalsContact OE1-CZ 3.25Å; F147-S149 PolarHBondContact O-N 3.23Å
148E58.9Low69.2Low141 Ų14166 Ų6666%0.65934%0.343SS*.PPolyproline II helixtrans-62.1133.9167.9-60.2-146.914500109.7L146 E150 K180L146-E148 PolarHBondContact O-N 2.74Å; E148-E150 PolarHBondContact O-N 3.03Å; E148-K180 IonicContact OE1-NZ 2.94Å; E148-K180 PolarHBondContact OE1-NZ 3.47Å; E148-K180 IonicContact OE2-NZ 2.68Å; E148-K180 PolarHBondContact OE2-NZ 2.67Å
149S54.7Low67.3Low55 Ų5572.4 Ų72.439%0.38537%0.371SS..PPolyproline II helixtrans-71.8126.8171.6-174.80000110.3D76 F147 V151D76-S149 WeakPolarHBondContact OD2-CB 3.22Å; D76-S149 PolarHBondContact OD2-N 3.2Å; F147-S149 PolarHBondContact O-N 3.23Å; S149-V151 PolarHBondContact O-N 2.97Å; S149-V151 VanDerWaalsContact O-N 3.1Å; S149-V151 PolarHBondContact OG-N 3.3Å
150E47.7Very low65.7Low200 Ų20073.1 Ų73.194%0.93538%0.375SS*.SBendtrans-56.7-24.9169.9-63.3-171.5156.900111.7E148 N152E148-E150 PolarHBondContact O-N 3.03Å; E150-N152 PolarHBondContact O-N 2.84Å; E150-N152 VanDerWaalsContact O-N 3.15Å
151V51.5Low63.5Low105 Ų10580.2 Ų80.264%0.63641%0.413SS*.SBendtrans-83.187.9172.4-172.80000109.5S149 S153S149-V151 PolarHBondContact O-N 2.97Å; S149-V151 VanDerWaalsContact O-N 3.1Å; S149-V151 PolarHBondContact OG-N 3.3Å; V151-S153 PolarHBondContact O-N 3.28Å; V151-S153 PolarHBondContact O-OG 3.24Å
152N50.4Low61.7Low136 Ų13688.3 Ų88.373%0.72745%0.446SS*.  trans-64.980.8174.2-169-0.6000111.1E150 D154E150-N152 PolarHBondContact O-N 2.84Å; E150-N152 VanDerWaalsContact O-N 3.15Å; N152-D154 PolarHBondContact O-N 2.92Å
153S55.6Low59.8Low22 Ų2290.5 Ų90.515%0.15446%0.457CS..  trans-78104-170.635.30000110.4K78 V151 L155K78-S153 WeakPolarHBondContact CE-O 3.47Å; K78-S153 PolarHBondContact NZ-O 3.09Å; V151-S153 PolarHBondContact O-N 3.28Å; V151-S153 PolarHBondContact O-OG 3.24Å; S153-L155 PolarHBondContact O-N 3.33Å
154D58.7Low58Low54 Ų5497.3 Ų97.329%0.28949%0.494SS..  trans-8087.1-178.1-165.3-5.2000111.9N152 S156 K157N152-D154 PolarHBondContact O-N 2.92Å; D154-S156 PolarHBondContact O-N 2.6Å; D154-S156 WeakPolarHBondContact OD1-CB 3.43Å; D154-S156 PolarHBondContact OD1-N 2.78Å; D154-S156 PolarHBondContact OD1-OG 3.09Å; D154-S156 PolarHBondContact OD2-OG 2.95Å; D154-K157 HydrophobicContact CB-CD 4.36Å; D154-K157 HydrophobicContact CB-CG 4.28Å; D154-K157 PolarHBondContact O-N 2.89Å; D154-K157 IonicContact OD2-NZ 3.18Å; D154-K157 PolarHBondContact OD2-NZ 2.94Å
155L60.9Low56.8Low1 Ų194.8 Ų94.81%0.00548%0.48CS..G310 helixtrans-46-31.5176.1-164.666.2000114F37 M63 I73 K78 S153 K157 V158 L171 W178F37-L155 HydrophobicContact CZ-CD2 4.37Å; M63-L155 VanDerWaalsContact CE-CA 3.45Å; M63-L155 HydrophobicContact CE-CB 4.13Å; M63-L155 HydrophobicContact CE-CD1 3.84Å; I73-L155 HydrophobicContact CG2-CD1 4.03Å; K78-L155 HydrophobicContact CD-CB 4.03Å; K78-L155 HydrophobicContact CD-CD2 4.26Å; S153-L155 PolarHBondContact O-N 3.33Å; L155-K157 PolarHBondContact O-N 3.2Å; L155-V158 PolarHBondContact O-N 3.43Å; L155-L171 HydrophobicContact CD1-CD1 4.16Å; L155-L171 HydrophobicContact CD1-CD2 3.89Å; L155-L171 HydrophobicContact CD2-CD2 3.84Å; L155-L171 HydrophobicContact CG-CD2 3.77Å; L155-W178 HydrophobicContact CD2-CB 4.34Å; L155-W178 HydrophobicContact CD2-CD2 4.14Å; L155-W178 HydrophobicContact CD2-CG 3.92Å
156S56.3Low56.2Low62 Ų6293.8 Ų93.843%0.43448%0.478SS..G310 helixtrans-66.1-19.9177.370.30000114.4D154D154-S156 PolarHBondContact O-N 2.6Å; D154-S156 WeakPolarHBondContact OD1-CB 3.43Å; D154-S156 PolarHBondContact OD1-N 2.78Å; D154-S156 PolarHBondContact OD1-OG 3.09Å; D154-S156 PolarHBondContact OD2-OG 2.95Å
157K53.8Low55.7Low155 Ų15592.5 Ų92.567%0.67447%0.471SS*.G310 helixtrans-94.4-6.5-176.3-63.8-169.617179.90114D154 L155 K159D154-K157 HydrophobicContact CB-CD 4.36Å; D154-K157 HydrophobicContact CB-CG 4.28Å; D154-K157 PolarHBondContact O-N 2.89Å; D154-K157 IonicContact OD2-NZ 3.18Å; D154-K157 PolarHBondContact OD2-NZ 2.94Å; L155-K157 PolarHBondContact O-N 3.2Å; K157-K159 PolarHBondContact O-N 2.82Å
158V57.7Low55.7Low42 Ų4285.7 Ų85.726%0.25544%0.444SS..  trans-94.694.7-173.1178.90000111.2M63 F64 L155 V160M63-V158 HydrophobicContact CE-CB 4.48Å; M63-V158 HydrophobicContact CE-CG2 3.63Å; M63-V158 HydrophobicContact CG-CG2 4.24Å; M63-V158 HydrophobicContact SD-CG2 4.1Å; F64-V158 HydrophobicContact CE2-CG1 3.6Å; F64-V158 HydrophobicContact CZ-CB 4.48Å; F64-V158 HydrophobicContact CZ-CG1 3.66Å; L155-V158 PolarHBondContact O-N 3.43Å; V158-V160 HydrophobicContact CG1-CG2 4.08Å; V158-V160 PolarHBondContact O-N 2.75Å
159K53.8Low56.1Low139 Ų13984 Ų8460%0.60443%0.432SS*.  trans-80113.2171.4-57.3-156.9174.3-141.60109.6K157 N172 D174K157-K159 PolarHBondContact O-N 2.82Å; K159-N172 WeakPolarHBondContact CA-OD1 3.28Å; K159-D174 IonicContact NZ-OD1 2.96Å; K159-D174 PolarHBondContact NZ-OD1 2.8Å; K159-D174 IonicContact NZ-OD2 3.4Å; K159-D174 PolarHBondContact NZ-OD2 2.77Å
160V56.2Low56.8Low24 Ų2481.4 Ų81.415%0.14541%0.414CS..  trans-94.4105-178.8-1740000109.2F64 V158 K162 L163 N172F64-V160 HydrophobicContact CD2-CG2 4.49Å; F64-V160 HydrophobicContact CE2-CG2 3.5Å; F64-V160 VanDerWaalsContact CE2-CG2 3.5Å; F64-V160 HydrophobicContact CZ-CG2 3.67Å; V158-V160 HydrophobicContact CG1-CG2 4.08Å; V158-V160 PolarHBondContact O-N 2.75Å; V160-K162 PolarHBondContact O-N 2.91Å; V160-K162 VanDerWaalsContact O-N 3.1Å; V160-L163 HydrophobicContact CG1-CB 4.02Å; V160-N172 PolarHBondContact N-OD1 3.49Å; V160-N172 PolarHBondContact O-ND2 3.31Å
161D47.5Very low57.7Low159 Ų15972.4 Ų72.485%0.8537%0.372SS*.THydrogen-bonded Turntrans-59.1114.6-178.3-93.4-42000112.8L163D161-L163 PolarHBondContact O-N 3.02Å; D161-L163 VanDerWaalsContact O-N 3.16Å
162K50.1Low58Low196 Ų19670 Ų7085%0.85236%0.355SS*.THydrogen-bonded Turntrans40.653.3166.9-68.7-174.1175.6178.30116V160V160-K162 PolarHBondContact O-N 2.91Å; V160-K162 VanDerWaalsContact O-N 3.1Å
163L47.4Very low58.5Low53 Ų5364.5 Ų64.528%0.27733%0.328SS..  trans-83115167.5-159.682.1000110.4N71 V160 D161 N165N71-L163 HydrophobicContact CB-CD2 4.16Å; N71-L163 WeakPolarHBondContact ND2-CD2 3.2Å; V160-L163 HydrophobicContact CG1-CB 4.02Å; D161-L163 PolarHBondContact O-N 3.02Å; D161-L163 VanDerWaalsContact O-N 3.16Å; L163-N165 HydrophobicContact CD2-CB 3.52Å; L163-N165 HydrophobicContact CG-CB 3.81Å; L163-N165 PolarHBondContact O-N 3.02Å
164N50.3Low58.7Low174 Ų17468.8 Ų68.893%0.9335%0.349SS*.  trans-73.539.7174.9-70.2-6.6000112.9
165N60.3Low59.3Low41 Ų4169.3 Ų69.322%0.21935%0.35CS..SBendtrans-128.8152.9-174-126.6-22.6000108.9D69 L163 I167 G168D69-N165 PolarHBondContact O-ND2 3.03Å; L163-N165 HydrophobicContact CD2-CB 3.52Å; L163-N165 HydrophobicContact CG-CB 3.81Å; L163-N165 PolarHBondContact O-N 3.02Å; N165-I167 VanDerWaalsContact C-N 3.26Å; N165-I167 PolarHBondContact O-N 2.86Å; N165-I167 VanDerWaalsContact O-N 3.11Å; N165-G168 PolarHBondContact O-N 3.27Å
166P65Low59.8Low28 Ų2870.5 Ų70.518%0.18236%0.355CS..Hα-helixtrans-52.4-39.9-173.9-28.535.6000114.3Y36 G168 Y169 L170 F620 E621Y36-P166 HydrophobicContact CE1-CB 3.74Å; Y36-P166 HydrophobicContact CE1-CG 4.35Å; Y36-P166 VanDerWaalsContact OH-CB 3.25Å; Y36-P166 WeakPolarHBondContact OH-CB 3.48Å; P166-G168 PolarHBondContact O-N 3.31Å; P166-G168 VanDerWaalsContact O-N 3.17Å; P166-Y169 PolarHBondContact O-N 2.91Å; P166-L170 PolarHBondContact O-N 3.17Å; P166-F620 HydrophobicContact CB-CE2 3.54Å; P166-F620 HydrophobicContact CB-CZ 3.64Å; P166-F620 WeakPolarHBondContact O-CE2 2.92Å; P166-F620 WeakPolarHBondContact O-CZ 3.46Å; P166-E621 WeakPolarHBondContact CG-OE1 3.43Å
167I69.1Low60.7Low4 Ų470.6 Ų70.62%0.02135%0.35CS..Hα-helixtrans-55.4-32.3175.9-66.7-174.6000112.9Y36 N71 I73 N165 Y169 L170 L171Y36-I167 HydrophobicContact CD1-CD1 3.82Å; Y36-I167 HydrophobicContact CD1-CG1 3.41Å; Y36-I167 VanDerWaalsContact CD1-CG1 3.41Å; Y36-I167 HydrophobicContact CE1-CG1 4.1Å; Y36-I167 HydrophobicContact CG-CD1 4.18Å; Y36-I167 HydrophobicContact CG-CG1 3.8Å; N71-I167 HydrophobicContact CB-CD1 4.23Å; N71-I167 WeakPolarHBondContact O-CD1 3.3Å; I73-I167 HydrophobicContact CG1-CD1 4.34Å; N165-I167 VanDerWaalsContact C-N 3.26Å; N165-I167 PolarHBondContact O-N 2.86Å; N165-I167 VanDerWaalsContact O-N 3.11Å; I167-Y169 PolarHBondContact O-N 2.88Å; I167-L170 PolarHBondContact O-N 2.81Å; I167-L171 HydrophobicContact CG2-CD1 3.43Å; I167-L171 VanDerWaalsContact CG2-CD1 3.43Å; I167-L171 HydrophobicContact CG2-CG 3.84Å; I167-L171 WeakPolarHBondContact O-CG 3.3Å; I167-L171 PolarHBondContact O-N 2.93Å
168G63Low61.8Low8 Ų864.4 Ų64.48%0.08232%0.323CS..Hα-helixtrans-61.1-32.9177.600000112.9N165 P166 N172N165-G168 PolarHBondContact O-N 3.27Å; P166-G168 PolarHBondContact O-N 3.31Å; P166-G168 VanDerWaalsContact O-N 3.17Å; G168-N172 WeakPolarHBondContact O-CB 3.28Å; G168-N172 PolarHBondContact O-N 3.09Å; G168-N172 PolarHBondContact O-ND2 3.38Å
169Y67.8Low62.9Low107 Ų10763.9 Ų63.942%0.4232%0.32SS..Hα-helixtrans-77.9-43.9172.6175.9-105.3000111.7K83 P166 I167 L171 S173 E175 F176 F620K83-Y169 PolarHBondContact NZ-OH 3.17Å; P166-Y169 PolarHBondContact O-N 2.91Å; I167-Y169 PolarHBondContact O-N 2.88Å; Y169-L171 PolarHBondContact O-N 3.38Å; Y169-S173 WeakPolarHBondContact O-CB 3.37Å; Y169-S173 PolarHBondContact O-N 2.81Å; Y169-S173 PolarHBondContact O-OG 2.89Å; Y169-E175 PolarHBondContact OH-OE2 3.33Å; Y169-F176 HydrophobicContact CE1-CE2 4.25Å; Y169-F176 HydrophobicContact CE1-CZ 4.4Å; Y169-F620 HydrophobicContact CD1-CB 4.39Å; Y169-F620 AromaticContact CD1-CD2 3.75Å; Y169-F620 HydrophobicContact CD1-CD2 3.75Å; Y169-F620 HydrophobicContact CD1-CE2 4.18Å; Y169-F620 HydrophobicContact CD1-CG 4.16Å; Y169-F620 HydrophobicContact CE1-CB 4.22Å; Y169-F620 HydrophobicContact CE1-CD2 4.41Å; Y169-F620 HydrophobicContact CE1-CG 4.46Å
170L70.3Confident64.3Low0 Ų062.8 Ų62.80%032%0.315CS..Hα-helixtrans-59.9-28.3-178.1-168.164.8000114Y36 P166 I167 F176 W178 F620Y36-L170 HydrophobicContact CD2-CD2 3.55Å; Y36-L170 HydrophobicContact CE2-CD2 4.12Å; Y36-L170 HydrophobicContact CG-CD2 4.13Å; P166-L170 PolarHBondContact O-N 3.17Å; I167-L170 PolarHBondContact O-N 2.81Å; L170-F176 HydrophobicContact CD1-CD2 4.43Å; L170-F176 HydrophobicContact CD1-CE1 4.34Å; L170-F176 HydrophobicContact CD1-CE2 4.07Å; L170-F176 HydrophobicContact CD1-CZ 4.01Å; L170-F176 WeakPolarHBondContact O-CD2 3.38Å; L170-W178 HydrophobicContact CD1-CH2 4.1Å; L170-W178 HydrophobicContact CD1-CZ2 3.59Å; L170-W178 HydrophobicContact CD2-CZ2 4.29Å; L170-W178 HydrophobicContact CG-CH2 4.39Å; L170-W178 HydrophobicContact CG-CZ2 3.72Å; L170-W178 PolarHBondContact O-NE1 2.94Å; L170-F620 HydrophobicContact CB-CE1 4.27Å; L170-F620 HydrophobicContact CB-CZ 4.09Å; L170-F620 HydrophobicContact CD1-CD1 4.26Å; L170-F620 HydrophobicContact CD1-CE1 3.77Å; L170-F620 HydrophobicContact CD1-CZ 4.44Å; L170-F620 HydrophobicContact CD2-CE1 4.27Å; L170-F620 HydrophobicContact CG-CE1 4.33Å
171L66.2Low65.8Low10 Ų1063 Ų635%0.05231%0.314CS..Hα-helixtrans-111-32.2-175.5-57.5-173.4000114.8F64 I73 L155 I167 Y169F64-L171 HydrophobicContact CD1-CD1 4.39Å; F64-L171 HydrophobicContact CE1-CD1 3.29Å; F64-L171 HydrophobicContact CZ-CD1 3.54Å; I73-L171 HydrophobicContact CD1-CD1 4.25Å; I73-L171 HydrophobicContact CD1-CD2 4.07Å; I73-L171 HydrophobicContact CG1-CD1 4.35Å; L155-L171 HydrophobicContact CD1-CD1 4.16Å; L155-L171 HydrophobicContact CD1-CD2 3.89Å; L155-L171 HydrophobicContact CD2-CD2 3.84Å; L155-L171 HydrophobicContact CG-CD2 3.77Å; I167-L171 HydrophobicContact CG2-CD1 3.43Å; I167-L171 VanDerWaalsContact CG2-CD1 3.43Å; I167-L171 HydrophobicContact CG2-CG 3.84Å; I167-L171 WeakPolarHBondContact O-CG 3.3Å; I167-L171 PolarHBondContact O-N 2.93Å; Y169-L171 PolarHBondContact O-N 3.38Å
172N57.7Low67.8Low54 Ų5455.7 Ų55.729%0.28928%0.275SS..Hα-helixtrans-86.1-11.8179.4-65.4-45.8000113.9K159 V160 G168 D174K159-N172 WeakPolarHBondContact CA-OD1 3.28Å; V160-N172 PolarHBondContact N-OD1 3.49Å; V160-N172 PolarHBondContact O-ND2 3.31Å; G168-N172 WeakPolarHBondContact O-CB 3.28Å; G168-N172 PolarHBondContact O-N 3.09Å; G168-N172 PolarHBondContact O-ND2 3.38Å; N172-D174 PolarHBondContact O-N 2.84Å
173S61Low69.6Low21 Ų2149.3 Ų49.315%0.14725%0.252CS..SBendtrans-77.1115.6166.754.10000108.2Y169 E175 F176Y169-S173 WeakPolarHBondContact O-CB 3.37Å; Y169-S173 PolarHBondContact O-N 2.81Å; Y169-S173 PolarHBondContact O-OG 2.89Å; S173-E175 PolarHBondContact O-N 2.75Å; S173-F176 VanDerWaalsContact OG-CD2 3.24Å; S173-F176 WeakPolarHBondContact OG-CD2 3.04Å; S173-F176 VanDerWaalsContact OG-CE2 3.29Å; S173-F176 WeakPolarHBondContact OG-CE2 3.46Å
174D60.1Low71.8Confident112 Ų11251 Ų5160%0.59926%0.255SS*.THydrogen-bonded Turntrans-65.621.7170.3-56.2-56.6000111.5K159 N172K159-D174 IonicContact NZ-OD1 2.96Å; K159-D174 PolarHBondContact NZ-OD1 2.8Å; K159-D174 IonicContact NZ-OD2 3.4Å; K159-D174 PolarHBondContact NZ-OD2 2.77Å; N172-D174 PolarHBondContact O-N 2.84Å
175E70.3Confident73.8Confident66 Ų6649.2 Ų49.231%0.30824%0.241SC..THydrogen-bonded Turntrans-97.2-23-175.6-63.1-173.5145.800113.5K83 L84 Y169 S173K83-E175 CarbonylContact C-O 3.56Å; K83-E175 WeakPolarHBondContact CA-O 3.2Å; K83-E175 HydrophobicContact CB-CB 4.48Å; K83-E175 VanDerWaalsContact CB-O 3.28Å; K83-E175 WeakPolarHBondContact CB-O 3.37Å; K83-E175 HydrophobicContact CD-CB 4.06Å; K83-E175 WeakPolarHBondContact CE-OE2 3.5Å; K83-E175 HydrophobicContact CG-CB 4.27Å; K83-E175 IonicContact NZ-OE2 3.52Å; K83-E175 PolarHBondContact NZ-OE2 3.39Å; L84-E175 PolarHBondContact N-O 3.14Å; Y169-E175 PolarHBondContact OH-OE2 3.33Å; S173-E175 PolarHBondContact O-N 2.75Å
176F71.7Confident75.4Confident25 Ų2548 Ų4811%0.1124%0.236CC..BIsolated β-bridgetrans-96.4117.8-175.8-68.9-80.5000111.9K83 Y169 L170 S173 W178K83-F176 HydrophobicContact CD-CE1 4.48Å; K83-F176 HydrophobicContact CG-CD1 4.1Å; K83-F176 HydrophobicContact CG-CE1 4.08Å; Y169-F176 HydrophobicContact CE1-CE2 4.25Å; Y169-F176 HydrophobicContact CE1-CZ 4.4Å; L170-F176 HydrophobicContact CD1-CD2 4.43Å; L170-F176 HydrophobicContact CD1-CE1 4.34Å; L170-F176 HydrophobicContact CD1-CE2 4.07Å; L170-F176 HydrophobicContact CD1-CZ 4.01Å; L170-F176 WeakPolarHBondContact O-CD2 3.38Å; S173-F176 VanDerWaalsContact OG-CD2 3.24Å; S173-F176 WeakPolarHBondContact OG-CD2 3.04Å; S173-F176 VanDerWaalsContact OG-CE2 3.29Å; S173-F176 WeakPolarHBondContact OG-CE2 3.46Å; F176-W178 HydrophobicContact CB-CD2 4.47Å; F176-W178 HydrophobicContact CB-CG 4.49Å; F176-W178 HydrophobicContact CB-CZ2 4.1Å; F176-W178 VanDerWaalsContact CB-NE1 3.3Å; F176-W178 HydrophobicContact CD1-CZ2 4.33Å; F176-W178 HydrophobicContact CG-CZ2 4.19Å; F176-W178 PolarHBondContact O-N 3.35Å
177N74.7Confident76.8Confident64 Ų6446.8 Ų46.834%0.34223%0.228SC..  trans-84.277.2177.7-169.623.3000111.2L84 T179L84-N177 HydrophobicContact CB-CB 4.19Å; L84-N177 HydrophobicContact CD1-CB 4.23Å; N177-T179 PolarHBondContact O-N 3.3Å
178W77.9Confident78.1Confident25 Ų2550.9 Ų50.910%0.09525%0.249CC..  trans-6798.1-177.9-69.9111.9000112.9N33 K78 C80 L155 L170 F176N33-W178 HydrophobicContact CB-CH2 4.13Å; K78-W178 HydrophobicContact CB-CB 4.02Å; K78-W178 HydrophobicContact CB-CD2 4.45Å; K78-W178 HydrophobicContact CB-CE3 3.82Å; K78-W178 HydrophobicContact CD-CB 3.89Å; K78-W178 WeakPolarHBondContact O-CZ3 3.32Å; C80-W178 HydrophobicContact CB-CE3 4.07Å; C80-W178 HydrophobicContact CB-CH2 4.33Å; C80-W178 HydrophobicContact CB-CZ3 4Å; L155-W178 HydrophobicContact CD2-CB 4.34Å; L155-W178 HydrophobicContact CD2-CD2 4.14Å; L155-W178 HydrophobicContact CD2-CG 3.92Å; L170-W178 HydrophobicContact CD1-CH2 4.1Å; L170-W178 HydrophobicContact CD1-CZ2 3.59Å; L170-W178 HydrophobicContact CD2-CZ2 4.29Å; L170-W178 HydrophobicContact CG-CH2 4.39Å; L170-W178 HydrophobicContact CG-CZ2 3.72Å; L170-W178 PolarHBondContact O-NE1 2.94Å; F176-W178 HydrophobicContact CB-CD2 4.47Å; F176-W178 HydrophobicContact CB-CG 4.49Å; F176-W178 HydrophobicContact CB-CZ2 4.1Å; F176-W178 VanDerWaalsContact CB-NE1 3.3Å; F176-W178 HydrophobicContact CD1-CZ2 4.33Å; F176-W178 HydrophobicContact CG-CZ2 4.19Å; F176-W178 PolarHBondContact O-N 3.35Å
179T79.9Confident79.5Confident32 Ų3255.8 Ų55.820%0.19627%0.268CS..BIsolated β-bridgetrans-104.5161.7-176.5450000112.1K78 F79 F111 N177K78-T179 CarbonylContact C-O 3.47Å; K78-T179 VanDerWaalsContact CA-O 3.29Å; K78-T179 WeakPolarHBondContact CA-O 3.35Å; K78-T179 WeakPolarHBondContact CB-O 3.3Å; F79-T179 PolarHBondContact N-O 2.92Å; F79-T179 PolarHBondContact O-N 3.06Å; F79-T179 PolarHBondContact O-OG1 3.32Å; F79-T179 VanDerWaalsContact O-OG1 3.13Å; F111-T179 WeakPolarHBondContact CE1-OG1 3.36Å; N177-T179 PolarHBondContact O-N 3.3Å
180K84.5Confident80.8Confident116 Ų11650.7 Ų50.750%0.50425%0.248SC..PPolyproline II helixtrans-66.3161.2161.6-80.1-167.8174.1-173.10109.2E148E148-K180 IonicContact OE1-NZ 2.94Å; E148-K180 PolarHBondContact OE1-NZ 3.47Å; E148-K180 IonicContact OE2-NZ 2.68Å; E148-K180 PolarHBondContact OE2-NZ 2.67Å
181F86.4Confident82.1Confident29 Ų2951.6 Ų51.613%0.12725%0.252CS..PPolyproline II helixtrans-67.2152.5169.2-150.5-121.8000110.9M29 F79 F111 L139 L140 L143M29-F181 HydrophobicContact CE-CE2 3.75Å; M29-F181 HydrophobicContact CE-CZ 4.46Å; M29-F181 HydrophobicContact SD-CE2 4.31Å; F79-F181 HydrophobicContact CB-CD2 4.38Å; F79-F181 AromaticContact CD1-CD2 3.83Å; F79-F181 HydrophobicContact CD1-CD2 3.83Å; F79-F181 HydrophobicContact CD1-CE2 4.17Å; F79-F181 HydrophobicContact CD2-CB 3.86Å; F79-F181 AromaticContact CD2-CD2 3.76Å; F79-F181 HydrophobicContact CD2-CD2 3.76Å; F79-F181 HydrophobicContact CD2-CG 4.23Å; F79-F181 HydrophobicContact CE1-CD2 4Å; F79-F181 HydrophobicContact CE1-CE2 4.32Å; F79-F181 HydrophobicContact CE2-CB 3.79Å; F79-F181 AromaticContact CE2-CD2 3.96Å; F79-F181 HydrophobicContact CE2-CD2 3.96Å; F79-F181 HydrophobicContact CE2-CG 4.15Å; F79-F181 AromaticContact CG-CD2 3.71Å; F79-F181 HydrophobicContact CG-CD2 3.71Å; F79-F181 HydrophobicContact CG-CE2 4.43Å; F79-F181 HydrophobicContact CZ-CB 4.49Å; F79-F181 HydrophobicContact CZ-CD2 4.08Å; F79-F181 HydrophobicContact CZ-CG 4.42Å; F111-F181 HydrophobicContact CE2-CD2 4.03Å; F111-F181 AromaticContact CE2-CE2 3.94Å; F111-F181 HydrophobicContact CE2-CE2 3.94Å; F111-F181 AromaticContact CZ-CD2 3.87Å; F111-F181 HydrophobicContact CZ-CD2 3.87Å; F111-F181 HydrophobicContact CZ-CE2 4.26Å; L139-F181 HydrophobicContact CD2-CE1 3.77Å; L139-F181 HydrophobicContact CD2-CE2 3.78Å; L139-F181 HydrophobicContact CD2-CZ 3.35Å; L139-F181 HydrophobicContact CG-CD1 4.44Å; L139-F181 HydrophobicContact CG-CE1 3.92Å; L139-F181 HydrophobicContact CG-CZ 4.04Å; L140-F181 HydrophobicContact CD2-CD1 3.73Å; L140-F181 HydrophobicContact CD2-CE1 4.19Å; L140-F181 HydrophobicContact CG-CD1 4.02Å; L140-F181 HydrophobicContact CG-CE1 3.97Å; L143-F181 HydrophobicContact CD1-CB 3.66Å; L143-F181 HydrophobicContact CD1-CD1 3.71Å; L143-F181 HydrophobicContact CD1-CG 3.77Å
182Y89.3Confident83.5Confident5 Ų557.2 Ų57.22%0.0228%0.283CS..PPolyproline II helixtrans-74.2162.2-175.842-113.9000113.3L107 P110 F111 E114 I136 V187L107-Y182 VanDerWaalsContact O-CE1 3.26Å; L107-Y182 WeakPolarHBondContact O-CE1 3.48Å; L107-Y182 PolarHBondContact O-OH 2.58Å; P110-Y182 HydrophobicContact CB-CD1 3.67Å; P110-Y182 HydrophobicContact CB-CD2 3.76Å; P110-Y182 HydrophobicContact CB-CE1 3.78Å; P110-Y182 HydrophobicContact CB-CE2 3.9Å; P110-Y182 HydrophobicContact CB-CG 3.63Å; P110-Y182 HydrophobicContact CG-CD1 4.3Å; P110-Y182 HydrophobicContact CG-CD2 4.15Å; P110-Y182 HydrophobicContact CG-CE1 3.91Å; P110-Y182 HydrophobicContact CG-CE2 3.76Å; P110-Y182 HydrophobicContact CG-CG 4.39Å; F111-Y182 HydrophobicContact CB-CD1 4.49Å; F111-Y182 AromaticContact CD1-CD1 3.96Å; F111-Y182 HydrophobicContact CD1-CD1 3.96Å; F111-Y182 AromaticContact CD2-CD1 3.45Å; F111-Y182 HydrophobicContact CD2-CD1 3.45Å; F111-Y182 VanDerWaalsContact CD2-CD1 3.45Å; F111-Y182 AromaticContact CD2-CE1 3.36Å; F111-Y182 HydrophobicContact CD2-CE1 3.36Å; F111-Y182 AromaticContact CE1-CD1 3.96Å; F111-Y182 HydrophobicContact CE1-CD1 3.96Å; F111-Y182 AromaticContact CE2-CD1 3.43Å; F111-Y182 HydrophobicContact CE2-CD1 3.43Å; F111-Y182 VanDerWaalsContact CE2-CD1 3.43Å; F111-Y182 AromaticContact CE2-CE1 3.37Å; F111-Y182 HydrophobicContact CE2-CE1 3.37Å; F111-Y182 AromaticContact CG-CD1 3.7Å; F111-Y182 HydrophobicContact CG-CD1 3.7Å; F111-Y182 HydrophobicContact CG-CE1 4.05Å; F111-Y182 AromaticContact CZ-CD1 3.69Å; F111-Y182 HydrophobicContact CZ-CD1 3.69Å; F111-Y182 HydrophobicContact CZ-CE1 4.09Å; E114-Y182 VanDerWaalsContact OE2-CB 3.29Å; E114-Y182 WeakPolarHBondContact OE2-CB 3.41Å; I136-Y182 WeakPolarHBondContact CG1-OH 3.42Å; I136-Y182 HydrophobicContact CG2-CE2 4.03Å; Y182-V187 HydrophobicContact CD2-CG2 3.51Å; Y182-V187 HydrophobicContact CE2-CG2 3.43Å; Y182-V187 VanDerWaalsContact CE2-CG2 3.43Å
183T89.3Confident85.3Confident62 Ų6258.5 Ų58.538%0.3829%0.29SS..PPolyproline II helixtrans-77.1161.6-178.572.10000113.3E185 S186 V187T183-E185 WeakPolarHBondContact CB-OE2 3.44Å; T183-E185 PolarHBondContact O-N 3.06Å; T183-S186 WeakPolarHBondContact O-CB 3.46Å; T183-S186 PolarHBondContact O-N 3.06Å; T183-S186 PolarHBondContact OG1-N 2.92Å; T183-S186 PolarHBondContact OG1-OG 2.93Å; T183-V187 WeakPolarHBondContact O-CG2 3.4Å; T183-V187 PolarHBondContact O-N 3.04Å; T183-V187 VanDerWaalsContact O-N 3.07Å
184R92.8Very high87.1Confident89 Ų8958.2 Ų58.234%0.33629%0.286SS..Hα-helixtrans-62.7-33.7172.5-78.8-173.9-179.485.31.6111.9L140 D144 V187 I188L140-R184 HydrophobicContact CD1-CG 3.89Å; D144-R184 IonicContact OD1-NH1 2.71Å; D144-R184 IonicContact OD2-CZ 3.74Å; D144-R184 IonicContact OD2-NH1 3.12Å; D144-R184 PolarHBondContact OD2-NH1 2.88Å; D144-R184 IonicContact OD2-NH2 3.01Å; D144-R184 PolarHBondContact OD2-NH2 3.26Å; R184-V187 WeakPolarHBondContact O-CB 3.45Å; R184-V187 PolarHBondContact O-N 2.69Å; R184-I188 WeakPolarHBondContact O-CG1 3.5Å; R184-I188 PolarHBondContact O-N 2.71Å
185E92.5Very high88.9Confident136 Ų13657.1 Ų57.164%0.63628%0.277SS*.Hα-helixtrans-63.4-42.4175.3-65.770.4-162.900110.7T183 K189T183-E185 WeakPolarHBondContact CB-OE2 3.44Å; T183-E185 PolarHBondContact O-N 3.06Å; E185-K189 VanDerWaalsContact O-CB 3.27Å; E185-K189 WeakPolarHBondContact O-CB 3.45Å; E185-K189 PolarHBondContact O-N 3.41Å
186S92.8Very high90.2Very high15 Ų1557.9 Ų57.911%0.10528%0.283CS..Hα-helixtrans-62.5-39.9172.3-56.80000112.2E114 T183 A190E114-S186 VanDerWaalsContact CD-OG 3.31Å; E114-S186 WeakPolarHBondContact OE2-CB 3.3Å; E114-S186 PolarHBondContact OE2-OG 2.69Å; T183-S186 WeakPolarHBondContact O-CB 3.46Å; T183-S186 PolarHBondContact O-N 3.06Å; T183-S186 PolarHBondContact OG1-N 2.92Å; T183-S186 PolarHBondContact OG1-OG 2.93Å; S186-A190 VanDerWaalsContact O-CB 3.26Å; S186-A190 WeakPolarHBondContact O-CB 3.29Å; S186-A190 PolarHBondContact O-N 3.33Å
187V95.5Very high91.5Very high2 Ų257 Ų571%0.01228%0.28CS..Hα-helixtrans-62.9-53.7175.9174.90000111P110 I136 L140 Y182 T183 R184 K189 A190 L191P110-V187 HydrophobicContact CB-CG2 4.37Å; P110-V187 HydrophobicContact CG-CG2 4.09Å; I136-V187 HydrophobicContact CD1-CG1 4.37Å; I136-V187 HydrophobicContact CG2-CB 4.26Å; I136-V187 HydrophobicContact CG2-CG1 3.73Å; I136-V187 HydrophobicContact CG2-CG2 3.48Å; I136-V187 VanDerWaalsContact CG2-CG2 3.48Å; L140-V187 HydrophobicContact CD1-CG2 4.1Å; Y182-V187 HydrophobicContact CD2-CG2 3.51Å; Y182-V187 HydrophobicContact CE2-CG2 3.43Å; Y182-V187 VanDerWaalsContact CE2-CG2 3.43Å; T183-V187 WeakPolarHBondContact O-CG2 3.4Å; T183-V187 PolarHBondContact O-N 3.04Å; T183-V187 VanDerWaalsContact O-N 3.07Å; R184-V187 WeakPolarHBondContact O-CB 3.45Å; R184-V187 PolarHBondContact O-N 2.69Å; V187-K189 VanDerWaalsContact C-N 3.33Å; V187-K189 PolarHBondContact O-N 2.7Å; V187-A190 PolarHBondContact O-N 2.76Å; V187-A190 VanDerWaalsContact O-N 3.09Å; V187-L191 HydrophobicContact CG1-CD1 3.83Å; V187-L191 HydrophobicContact CG1-CG 4.18Å; V187-L191 WeakPolarHBondContact O-CG 3.39Å; V187-L191 PolarHBondContact O-N 3.28Å
188I95.6Very high92.5Very high91 Ų9156.2 Ų56.247%0.46728%0.282SS..Hα-helixtrans-56.3-50.8-179.8-67163000109.7R184 A190 L191 D192R184-I188 WeakPolarHBondContact O-CG1 3.5Å; R184-I188 PolarHBondContact O-N 2.71Å; I188-A190 VanDerWaalsContact C-N 3.3Å; I188-A190 PolarHBondContact O-N 3.01Å; I188-L191 PolarHBondContact O-N 2.71Å; I188-D192 WeakPolarHBondContact CG2-OD2 3.4Å; I188-D192 WeakPolarHBondContact O-CB 3.24Å; I188-D192 VanDerWaalsContact O-CG 3.23Å; I188-D192 PolarHBondContact O-N 2.7Å
189K93.4Very high93.5Very high111 Ų11156.6 Ų56.648%0.48328%0.284SS..Hα-helixtrans-56-40.4176.3-178.5-166.6170-155.80112.8F113 E185 V187 N193F113-K189 PolarHBondContact O-NZ 2.83Å; E185-K189 VanDerWaalsContact O-CB 3.27Å; E185-K189 WeakPolarHBondContact O-CB 3.45Å; E185-K189 PolarHBondContact O-N 3.41Å; V187-K189 VanDerWaalsContact C-N 3.33Å; V187-K189 PolarHBondContact O-N 2.7Å; K189-N193 PolarHBondContact O-ND2 3.39Å
190A95.5Very high94.3Very high0 Ų059.2 Ų59.20%029%0.293CS..Hα-helixtrans-71.2-42.7179.800000112.5L109 P110 F113 S186 V187 I188 N193L109-A190 HydrophobicContact CB-CB 4.42Å; P110-A190 HydrophobicContact CB-CB 4.08Å; P110-A190 HydrophobicContact CG-CB 3.93Å; F113-A190 HydrophobicContact CB-CB 4.21Å; F113-A190 HydrophobicContact CD2-CB 3.54Å; F113-A190 HydrophobicContact CE2-CB 4.21Å; F113-A190 HydrophobicContact CG-CB 4.13Å; S186-A190 VanDerWaalsContact O-CB 3.26Å; S186-A190 WeakPolarHBondContact O-CB 3.29Å; S186-A190 PolarHBondContact O-N 3.33Å; V187-A190 PolarHBondContact O-N 2.76Å; V187-A190 VanDerWaalsContact O-N 3.09Å; I188-A190 VanDerWaalsContact C-N 3.3Å; I188-A190 PolarHBondContact O-N 3.01Å; A190-N193 PolarHBondContact O-N 3.25Å
191L96.8Very high94.9Very high18 Ų1857.7 Ų57.79%0.09429%0.288CS..Hα-helixtrans-72.9-36.1-178.6-60.4-175.7000112.4I106 V129 K133 V187 I188 N193 I194I106-L191 HydrophobicContact CG2-CD2 3.73Å; V129-L191 HydrophobicContact CG1-CD2 4.36Å; K133-L191 HydrophobicContact CB-CD1 3.79Å; K133-L191 HydrophobicContact CD-CD1 3.86Å; K133-L191 HydrophobicContact CG-CD1 3.69Å; V187-L191 HydrophobicContact CG1-CD1 3.83Å; V187-L191 HydrophobicContact CG1-CG 4.18Å; V187-L191 WeakPolarHBondContact O-CG 3.39Å; V187-L191 PolarHBondContact O-N 3.28Å; I188-L191 PolarHBondContact O-N 2.71Å; L191-N193 PolarHBondContact O-N 2.92Å; L191-I194 HydrophobicContact CD2-CD1 3.75Å; L191-I194 WeakPolarHBondContact O-CB 3.21Å; L191-I194 WeakPolarHBondContact O-CG1 3.49Å; L191-I194 PolarHBondContact O-N 3.42Å; L191-I194 VanDerWaalsContact O-N 3.08Å
192D96Very high95.4Very high128 Ų12860.2 Ų60.268%0.68431%0.308SS*.THydrogen-bonded Turntrans-66.1-15.7177.2-71.6-11.2000113.2I188I188-D192 WeakPolarHBondContact CG2-OD2 3.4Å; I188-D192 WeakPolarHBondContact O-CB 3.24Å; I188-D192 VanDerWaalsContact O-CG 3.23Å; I188-D192 PolarHBondContact O-N 2.7Å
193N95.4Very high95.8Very high82 Ų8261.2 Ų61.244%0.43931%0.314SS..THydrogen-bonded Turntrans-93.45.4174.6-78.8-83.3000113.7F113 K189 A190 L191F113-N193 HydrophobicContact CE1-CB 4.04Å; F113-N193 HydrophobicContact CE2-CB 4.44Å; F113-N193 HydrophobicContact CZ-CB 3.65Å; K189-N193 PolarHBondContact O-ND2 3.39Å; A190-N193 PolarHBondContact O-N 3.25Å; L191-N193 PolarHBondContact O-N 2.92Å
194I98Very high96.1Very high15 Ų1562.5 Ų62.58%0.07732%0.319CS..EExtended strand (participates in β ladder)trans-89.3120.7178.2-53.7177.2000110.4I106 L109 V122 A124 V129 L191 L196I106-I194 HydrophobicContact CD1-CD1 3.84Å; L109-I194 HydrophobicContact CD1-CD1 3.57Å; L109-I194 HydrophobicContact CD1-CG1 4.19Å; V122-I194 HydrophobicContact CB-CG1 4.18Å; V122-I194 HydrophobicContact CG1-CG1 3.98Å; V122-I194 HydrophobicContact CG1-CG2 4.28Å; A124-I194 HydrophobicContact CB-CG2 3.69Å; V129-I194 HydrophobicContact CG1-CD1 4.32Å; V129-I194 HydrophobicContact CG2-CB 4.43Å; V129-I194 HydrophobicContact CG2-CD1 3.9Å; V129-I194 HydrophobicContact CG2-CG2 3.86Å; L191-I194 HydrophobicContact CD2-CD1 3.75Å; L191-I194 WeakPolarHBondContact O-CB 3.21Å; L191-I194 WeakPolarHBondContact O-CG1 3.49Å; L191-I194 PolarHBondContact O-N 3.42Å; L191-I194 VanDerWaalsContact O-N 3.08Å; I194-L196 HydrophobicContact CG2-CD2 4.44Å
195H98Very high96.1Very high89 Ų8958.4 Ų58.441%0.41230%0.303SS..EExtended strand (participates in β ladder)trans-76.3123.3165.5-64.3-70.5000109.6V122 F123 A124V122-H195 WeakPolarHBondContact O-CB 3.28Å; V122-H195 PolarHBondContact O-N 3.08Å; F123-H195 WeakPolarHBondContact CA-O 3.39Å; F123-H195 HydrophobicContact CD1-CB 3.47Å; F123-H195 VanDerWaalsContact CD1-CB 3.47Å; F123-H195 HydrophobicContact CE1-CB 3.55Å; F123-H195 AromaticContact CE1-CG 3.96Å; F123-H195 HydrophobicContact CG-CB 4.43Å; A124-H195 PolarHBondContact N-O 3.2Å
196L98.4Very high95.8Very high82 Ų8257.2 Ų57.243%0.42930%0.296SS..EExtended strand (participates in β ladder)trans-79.4140.8176.8-53.8-177.9000110.2A124 E126 V129 I194A124-L196 CarbonylContact O-C 3.56Å; A124-L196 WeakPolarHBondContact O-CA 3.29Å; E126-L196 HydrophobicContact CB-CD1 4.1Å; E126-L196 HydrophobicContact CB-CD2 4.42Å; E126-L196 HydrophobicContact CG-CD1 3.93Å; V129-L196 HydrophobicContact CB-CD2 4.38Å; V129-L196 HydrophobicContact CG2-CD2 3.86Å; I194-L196 HydrophobicContact CG2-CD2 4.44Å
197V97.8Very high95.5Very high7 Ų759.3 Ų59.34%0.04232%0.321CS..  trans-136.2135.3-178.4-171.70000109.8F123 A124 T125 E201 V203F123-V197 HydrophobicContact CB-CG2 4.02Å; F123-V197 HydrophobicContact CD1-CG2 3.6Å; F123-V197 HydrophobicContact CG-CG2 4.23Å; A124-V197 PolarHBondContact O-N 3.47Å; T125-V197 WeakPolarHBondContact CA-O 3.22Å; V197-E201 WeakPolarHBondContact CA-OE2 3.37Å; V197-E201 HydrophobicContact CG1-CB 3.93Å; V197-E201 HydrophobicContact CG1-CG 4.35Å; V197-V203 HydrophobicContact CG1-CG2 3.76Å; V197-V203 HydrophobicContact CG2-CG2 4.02Å
198A97.7Very high95.1Very high46 Ų4662.9 Ų62.938%0.3834%0.339SS..  trans-84.2162.9174.200000112.4E201A198-E201 HydrophobicContact CB-CB 4.26Å; A198-E201 PolarHBondContact N-OE2 2.91Å; A198-E201 WeakPolarHBondContact O-CB 3.49Å; A198-E201 PolarHBondContact O-N 3.48Å
199Y97.5Very high95Very high34 Ų3458.7 Ų58.713%0.13332%0.317CS..BIsolated β-bridgetrans-59142.6170.6-68.5-38.7000111.3T125 E201 G213 S215 G221 S222 C223 L248 W438T125-Y199 HydrophobicContact CG2-CE1 4.32Å; Y199-E201 PolarHBondContact O-N 3.14Å; Y199-G213 CarbonylContact C-O 3.57Å; Y199-G213 WeakPolarHBondContact CA-O 3.47Å; Y199-S215 PolarHBondContact OH-OG 2.91Å; Y199-G221 WeakPolarHBondContact OH-CA 3.48Å; Y199-S222 PolarHBondContact OH-O 3.39Å; Y199-C223 HydrophobicContact CD1-CB 4.41Å; Y199-C223 HydrophobicContact CE1-CB 3.89Å; Y199-L248 HydrophobicContact CD2-CD2 3.79Å; Y199-L248 HydrophobicContact CE2-CD2 3.59Å; Y199-W438 AromaticContact CD1-CZ3 3.89Å; Y199-W438 HydrophobicContact CD1-CZ3 3.89Å; Y199-W438 AromaticContact CD2-CE3 3.76Å; Y199-W438 HydrophobicContact CD2-CE3 3.76Å; Y199-W438 AromaticContact CD2-CZ3 3.78Å; Y199-W438 HydrophobicContact CD2-CZ3 3.78Å; Y199-W438 HydrophobicContact CE1-CE3 4.13Å; Y199-W438 AromaticContact CE1-CZ3 3.78Å; Y199-W438 HydrophobicContact CE1-CZ3 3.78Å; Y199-W438 HydrophobicContact CE2-CD2 4.38Å; Y199-W438 AromaticContact CE2-CE3 3.33Å; Y199-W438 HydrophobicContact CE2-CE3 3.33Å; Y199-W438 AromaticContact CE2-CZ3 3.69Å; Y199-W438 HydrophobicContact CE2-CZ3 3.69Å; Y199-W438 HydrophobicContact CG-CE3 4.34Å; Y199-W438 AromaticContact CG-CZ3 3.89Å; Y199-W438 HydrophobicContact CG-CZ3 3.89Å; Y199-W438 AromaticContact CZ-CE3 3.54Å; Y199-W438 AromaticContact CZ-CZ3 3.69Å
200H97Very high95.2Very high86 Ų8655.5 Ų55.540%0.39831%0.307SS..THydrogen-bonded Turntrans59.4-2.4-174.4-46.9-84.7000117.3P202 K212 G213 D251H200-P202 WeakPolarHBondContact O-CD 3.47Å; H200-K212 WeakPolarHBondContact O-CD 3.46Å; H200-K212 WeakPolarHBondContact O-CE 3.32Å; H200-K212 PolarHBondContact O-NZ 2.93Å; H200-G213 PolarHBondContact N-O 3.37Å; H200-D251 IonicContact CE1-OD2 2.72Å; H200-D251 PolarHBondContact CE1-OD2 3.07Å; H200-D251 IonicContact ND1-OD2 3.4Å; H200-D251 IonicContact NE2-OD2 3.52Å
201E97Very high95.3Very high84 Ų8455.5 Ų55.539%0.39331%0.307SS..  trans-63119.3-179.3-174.8179.6177.200111.1V197 A198 Y199 V203V197-E201 WeakPolarHBondContact CA-OE2 3.37Å; V197-E201 HydrophobicContact CG1-CB 3.93Å; V197-E201 HydrophobicContact CG1-CG 4.35Å; A198-E201 HydrophobicContact CB-CB 4.26Å; A198-E201 PolarHBondContact N-OE2 2.91Å; A198-E201 WeakPolarHBondContact O-CB 3.49Å; A198-E201 PolarHBondContact O-N 3.48Å; Y199-E201 PolarHBondContact O-N 3.14Å; E201-V203 HydrophobicContact CG-CG2 4.34Å; E201-V203 PolarHBondContact O-N 2.66Å
202P97.1Very high95.3Very high83 Ų8357.8 Ų57.854%0.53932%0.317SS..  trans-78.4105.5176.329.5-29.5000110.6H200 T210H200-P202 WeakPolarHBondContact O-CD 3.47Å; P202-T210 HydrophobicContact CB-CG2 3.72Å
203V97.8Very high95.4Very high26 Ų2651.8 Ų51.816%0.15829%0.285CS..EExtended strand (participates in β ladder)trans-97.4121.9172-1780000109.6F123 V197 E201 L205 T210 I211F123-V203 HydrophobicContact CD1-CG1 4.41Å; F123-V203 HydrophobicContact CE1-CG1 3.7Å; F123-V203 HydrophobicContact CZ-CG1 3.92Å; V197-V203 HydrophobicContact CG1-CG2 3.76Å; V197-V203 HydrophobicContact CG2-CG2 4.02Å; E201-V203 HydrophobicContact CG-CG2 4.34Å; E201-V203 PolarHBondContact O-N 2.66Å; V203-L205 HydrophobicContact CG1-CD2 4.46Å; V203-T210 WeakPolarHBondContact O-CA 3.4Å; V203-I211 HydrophobicContact CB-CD1 4.24Å; V203-I211 HydrophobicContact CB-CG1 3.76Å; V203-I211 HydrophobicContact CG1-CG1 4.43Å; V203-I211 PolarHBondContact N-O 2.81Å; V203-I211 PolarHBondContact O-N 2.86Å
204D95.4Very high95.6Very high89 Ų8947.9 Ų47.948%0.47626%0.264SS..EExtended strand (participates in β ladder)trans-76.2131.5173.6179.680.9000111.8F206 G207D204-F206 PolarHBondContact OD2-N 2.78Å; D204-F206 VanDerWaalsContact OD2-N 3.16Å; D204-G207 WeakPolarHBondContact OD1-CA 3.21Å; D204-G207 PolarHBondContact OD1-N 3.42Å; D204-G207 PolarHBondContact OD2-N 3.04Å
205L92.6Very high95.5Very high2 Ų247.2 Ų47.21%0.0126%0.261CS..EExtended strand (participates in β ladder)trans-108.990.9171.7-55.9-174.1000109L23 V97 F123 V203 G207 L208 L209 I211L23-L205 HydrophobicContact CD2-CD1 4Å; V97-L205 HydrophobicContact CG2-CD1 4.09Å; V97-L205 HydrophobicContact CG2-CD2 4.06Å; F123-L205 HydrophobicContact CD2-CD2 4.48Å; F123-L205 HydrophobicContact CE2-CD2 3.57Å; F123-L205 HydrophobicContact CZ-CD2 3.87Å; V203-L205 HydrophobicContact CG1-CD2 4.46Å; L205-G207 PolarHBondContact O-N 3.38Å; L205-L208 PolarHBondContact O-N 3.05Å; L205-L209 WeakPolarHBondContact CA-O 3.35Å; L205-L209 HydrophobicContact CB-CB 4.24Å; L205-L209 HydrophobicContact CD1-CB 4.5Å; L205-L209 PolarHBondContact N-O 2.95Å; L205-L209 PolarHBondContact O-N 3.34Å; L205-I211 HydrophobicContact CD1-CD1 4.35Å; L205-I211 HydrophobicContact CD1-CG2 3.56Å; L205-I211 HydrophobicContact CD2-CD1 4.19Å; L205-I211 HydrophobicContact CG-CD1 4.46Å; L205-I211 HydrophobicContact CG-CG1 4.43Å; L205-I211 HydrophobicContact CG-CG2 4.19Å
206F87.4Confident95.5Very high111 Ų11143 Ų4349%0.48724%0.241SC..THydrogen-bonded Turntrans63.322169.1-37.8-77.2000114.9V21 D96 V97 D204 L208V21-F206 HydrophobicContact CG1-CE2 4.34Å; V21-F206 HydrophobicContact CG2-CD2 4.47Å; D96-F206 HydrophobicContact CB-CE2 3.96Å; D96-F206 HydrophobicContact CB-CZ 4.21Å; V97-F206 HydrophobicContact CG2-CE2 4.1Å; V97-F206 HydrophobicContact CG2-CZ 4.35Å; D204-F206 PolarHBondContact OD2-N 2.78Å; D204-F206 VanDerWaalsContact OD2-N 3.16Å; F206-L208 PolarHBondContact O-N 2.96Å
207G85.1Confident95.4Very high60 Ų6039.1 Ų39.162%0.61922%0.221SC*.THydrogen-bonded Turntrans70.410.6-172.900000114.6D204 L205D204-G207 WeakPolarHBondContact OD1-CA 3.21Å; D204-G207 PolarHBondContact OD1-N 3.42Å; D204-G207 PolarHBondContact OD2-N 3.04Å; L205-G207 PolarHBondContact O-N 3.38Å
208L88Confident95.2Very high76 Ų7641 Ų4140%0.39823%0.228SC..THydrogen-bonded Turntrans-110-34.9-175.2-64.5178.6000113.2V21 L205 F206V21-L208 HydrophobicContact CG2-CB 4.02Å; V21-L208 HydrophobicContact CG2-CD1 3.83Å; L205-L208 PolarHBondContact O-N 3.05Å; F206-L208 PolarHBondContact O-N 2.96Å
209L93.9Very high95.1Very high3 Ų339.3 Ų39.32%0.01621%0.214CC..EExtended strand (participates in β ladder)trans-138.7150.8177.9-57.3172.5000109.8I18 V21 L23 L205 I227 T228I18-L209 HydrophobicContact CB-CD1 4.25Å; I18-L209 HydrophobicContact CB-CD2 4.34Å; I18-L209 HydrophobicContact CG2-CD2 3.75Å; V21-L209 HydrophobicContact CB-CD1 3.83Å; V21-L209 HydrophobicContact CG1-CD1 4.17Å; V21-L209 HydrophobicContact CG2-CD1 4.04Å; V21-L209 HydrophobicContact CG2-CG 4.35Å; L23-L209 HydrophobicContact CD1-CD1 4.25Å; L205-L209 WeakPolarHBondContact CA-O 3.35Å; L205-L209 HydrophobicContact CB-CB 4.24Å; L205-L209 HydrophobicContact CD1-CB 4.5Å; L205-L209 PolarHBondContact N-O 2.95Å; L205-L209 PolarHBondContact O-N 3.34Å; L209-I227 HydrophobicContact CB-CG2 4.44Å; L209-I227 HydrophobicContact CD1-CG2 4.06Å; L209-I227 HydrophobicContact CD2-CG2 4.41Å; L209-T228 CarbonylContact C-O 3.57Å; L209-T228 VanDerWaalsContact CA-O 3.26Å; L209-T228 WeakPolarHBondContact CA-O 3.08Å
210T96.7Very high95Very high44 Ų4438 Ų3827%0.2721%0.21SC..EExtended strand (participates in β ladder)trans-115133.1164-52.10000108.5P202 V203 T228P202-T210 HydrophobicContact CB-CG2 3.72Å; V203-T210 WeakPolarHBondContact O-CA 3.4Å; T210-T228 PolarHBondContact N-O 2.87Å; T210-T228 PolarHBondContact O-N 3.41Å; T210-T228 PolarHBondContact O-OG1 3.17Å
211I97.8Very high95Very high0 Ų033.9 Ų33.90%019%0.191CC..EExtended strand (participates in β ladder)trans-106.9151.1173.962.5175.3000111.1L99 F123 V203 L205 W225 I226 I227L99-I211 HydrophobicContact CD1-CG2 4.31Å; L99-I211 HydrophobicContact CD2-CD1 3.55Å; F123-I211 HydrophobicContact CB-CD1 4.3Å; F123-I211 HydrophobicContact CD2-CD1 3.83Å; F123-I211 HydrophobicContact CE2-CD1 4.26Å; F123-I211 HydrophobicContact CG-CD1 3.98Å; V203-I211 HydrophobicContact CB-CD1 4.24Å; V203-I211 HydrophobicContact CB-CG1 3.76Å; V203-I211 HydrophobicContact CG1-CG1 4.43Å; V203-I211 PolarHBondContact N-O 2.81Å; V203-I211 PolarHBondContact O-N 2.86Å; L205-I211 HydrophobicContact CD1-CD1 4.35Å; L205-I211 HydrophobicContact CD1-CG2 3.56Å; L205-I211 HydrophobicContact CD2-CD1 4.19Å; L205-I211 HydrophobicContact CG-CD1 4.46Å; L205-I211 HydrophobicContact CG-CG1 4.43Å; L205-I211 HydrophobicContact CG-CG2 4.19Å; I211-W225 HydrophobicContact CB-CE3 4.3Å; I211-W225 HydrophobicContact CB-CZ3 4.46Å; I211-W225 HydrophobicContact CD1-CE3 4.4Å; I211-W225 HydrophobicContact CD1-CZ3 3.91Å; I211-W225 HydrophobicContact CG1-CZ3 4.32Å; I211-I226 CarbonylContact C-O 3.59Å; I211-I226 VanDerWaalsContact CA-O 3.31Å; I211-I226 WeakPolarHBondContact CA-O 3.26Å; I211-I227 HydrophobicContact CG2-CG1 4.18Å; I211-I227 HydrophobicContact CG2-CG2 4.25Å
212K97.8Very high95Very high67 Ų6729.9 Ų29.929%0.29117%0.172SC..EExtended strand (participates in β ladder)trans-141.4139.5168.9-66.7-170.8169.5-148.80110.4H200 W225 I226H200-K212 WeakPolarHBondContact O-CD 3.46Å; H200-K212 WeakPolarHBondContact O-CE 3.32Å; H200-K212 PolarHBondContact O-NZ 2.93Å; K212-W225 WeakPolarHBondContact O-CA 3.44Å; K212-I226 PolarHBondContact N-O 2.84Å; K212-I226 PolarHBondContact O-N 3.23Å
213G97.9Very high95.1Very high1 Ų126 Ų261%0.0115%0.147CC..EExtended strand (participates in β ladder)trans-90.5135.9164.900000111.1Y199 H200 N224Y199-G213 CarbonylContact C-O 3.57Å; Y199-G213 WeakPolarHBondContact CA-O 3.47Å; H200-G213 PolarHBondContact N-O 3.37Å; G213-N224 WeakPolarHBondContact CA-O 3.27Å
214L97.9Very high95.1Very high0 Ų024.8 Ų24.80%014%0.139CC..EExtended strand (participates in β ladder)trans-116.6156.9170.6-52.1178.9000109.3A216 C223 N224 I226 D251 T254 F255L214-A216 PolarHBondContact O-N 2.83Å; L214-C223 CarbonylContact O-C 3.59Å; L214-C223 WeakPolarHBondContact O-CA 3.45Å; L214-C223 VanDerWaalsContact O-CB 3.28Å; L214-C223 WeakPolarHBondContact O-CB 3.36Å; L214-N224 PolarHBondContact N-O 3.13Å; L214-N224 PolarHBondContact O-N 3.46Å; L214-I226 HydrophobicContact CD1-CD1 3.9Å; L214-I226 HydrophobicContact CD1-CG1 3.51Å; L214-I226 HydrophobicContact CG-CG1 3.93Å; L214-D251 HydrophobicContact CB-CB 4.37Å; L214-D251 WeakPolarHBondContact CB-OD2 3.26Å; L214-D251 WeakPolarHBondContact CD2-OD2 3.41Å; L214-T254 VanDerWaalsContact CD1-OG1 3.3Å; L214-T254 WeakPolarHBondContact CD1-OG1 3.34Å; L214-T254 WeakPolarHBondContact CD2-OG1 3.17Å; L214-F255 HydrophobicContact CD1-CD2 3.83Å; L214-F255 HydrophobicContact CD1-CE2 3.5Å; L214-F255 VanDerWaalsContact CD1-CE2 3.5Å; L214-F255 HydrophobicContact CD1-CZ 4.42Å
215S97.9Very high95.2Very high2 Ų220.6 Ų20.61%0.01412%0.117CC..EExtended strand (participates in β ladder)trans-65.6133178.7-170.60000112.7Y199 L248 P249 F250 D251Y199-S215 PolarHBondContact OH-OG 2.91Å; S215-L248 PolarHBondContact OG-O 2.77Å; S215-P249 WeakPolarHBondContact CB-O 3.19Å; S215-P249 PolarHBondContact OG-O 2.94Å; S215-P249 VanDerWaalsContact OG-O 3.08Å; S215-F250 WeakPolarHBondContact O-CA 3.35Å; S215-D251 PolarHBondContact O-N 3.09Å
216A97.4Very high95.5Very high0 Ų020.9 Ų20.90%012%0.118CC..  trans-94.4-5.8177.600000114.1L214 Y218 S222 H239 T240 S241L214-A216 PolarHBondContact O-N 2.83Å; A216-Y218 PolarHBondContact O-N 3.06Å; A216-S222 VanDerWaalsContact CB-O 3.26Å; A216-S222 WeakPolarHBondContact CB-O 3.42Å; A216-S222 PolarHBondContact N-O 3.17Å; A216-H239 WeakPolarHBondContact CB-O 3.38Å; A216-T240 CarbonylContact O-C 3.52Å; A216-T240 VanDerWaalsContact O-CA 3.22Å; A216-T240 WeakPolarHBondContact O-CA 3.48Å; A216-T240 WeakPolarHBondContact O-CG2 3.43Å; A216-S241 PolarHBondContact O-N 2.81Å
217G95.4Very high96Very high1 Ų115.6 Ų15.61%0.0110%0.095CC..SBendtrans66.21.8-179.500000116.2S241 V247 L248G217-S241 WeakPolarHBondContact O-CB 3.49Å; G217-V247 VanDerWaalsContact C-CG2 3.42Å; G217-V247 WeakPolarHBondContact O-CG2 3.1Å; G217-L248 WeakPolarHBondContact CA-O 3.46Å
218Y94.2Very high96.4Very high47 Ų4715 Ų1518%0.1848%0.079CC..SBendtrans-93.7-32.7-173.2170.3-106.1000114.8R104 A216 H239 R678R104-Y218 PolarHBondContact NH1-OH 3.36Å; A216-Y218 PolarHBondContact O-N 3.06Å; Y218-H239 WeakPolarHBondContact CB-O 3.27Å; Y218-H239 HydrophobicContact CD1-CB 3.4Å; Y218-H239 VanDerWaalsContact CD1-CB 3.4Å; Y218-H239 HydrophobicContact CD2-CB 4.27Å; Y218-H239 HydrophobicContact CE1-CB 3.64Å; Y218-H239 AromaticContact CE1-CD2 3.75Å; Y218-H239 HydrophobicContact CE2-CB 4.47Å; Y218-H239 HydrophobicContact CG-CB 3.75Å; Y218-H239 AromaticContact CZ-CD2 3.8Å; Y218-R678 HydrophobicContact CD2-CB 3.92Å; Y218-R678 HydrophobicContact CD2-CG 4.4Å; Y218-R678 HydrophobicContact CE2-CB 3.7Å; Y218-R678 HydrophobicContact CE2-CG 4.36Å
219G94.5Very high96.5Very high9 Ų912.3 Ų12.39%0.0937%0.067CC..SBendtrans-166.8153.8-171.600000110.3G221 S222G219-G221 PolarHBondContact O-N 2.82Å; G219-G221 VanDerWaalsContact O-N 3.13Å; G219-S222 WeakPolarHBondContact O-CB 3.48Å; G219-S222 PolarHBondContact O-N 3.28Å; G219-S222 PolarHBondContact O-OG 3.11Å
220I96.5Very high96Very high7 Ų715.7 Ų15.74%0.0369%0.091CC..THydrogen-bonded Turntrans-55.7121-178-51.7176.2000109.4P127 F131 S222 V247 F306 W438 L439P127-I220 HydrophobicContact CB-CG2 3.87Å; P127-I220 HydrophobicContact CG-CG2 4.31Å; F131-I220 HydrophobicContact CD2-CB 4.33Å; F131-I220 HydrophobicContact CE2-CB 3.84Å; F131-I220 HydrophobicContact CE2-CD1 3.9Å; F131-I220 HydrophobicContact CE2-CG1 4.4Å; F131-I220 HydrophobicContact CE2-CG2 4.03Å; F131-I220 HydrophobicContact CZ-CD1 3.92Å; I220-S222 VanDerWaalsContact C-N 3.26Å; I220-S222 PolarHBondContact O-N 2.79Å; I220-V247 HydrophobicContact CG1-CG1 3.93Å; I220-F306 HydrophobicContact CD1-CD2 4.24Å; I220-F306 HydrophobicContact CD1-CE2 4Å; I220-W438 HydrophobicContact CG2-CB 3.7Å; I220-L439 HydrophobicContact CD1-CD2 3.93Å; I220-L439 HydrophobicContact CG1-CD2 4.06Å
221G96.8Very high95.2Very high0 Ų014.7 Ų14.70%09%0.085CC..THydrogen-bonded Turntrans73.4-3.1-175.400000116.9T125 V128 Y199 G219 C223T125-G221 WeakPolarHBondContact CB-O 3.43Å; T125-G221 VanDerWaalsContact CG2-O 3.28Å; T125-G221 WeakPolarHBondContact CG2-O 3.22Å; T125-G221 PolarHBondContact OG1-O 3.18Å; V128-G221 WeakPolarHBondContact CG2-O 3.39Å; Y199-G221 WeakPolarHBondContact OH-CA 3.48Å; G219-G221 PolarHBondContact O-N 2.82Å; G219-G221 VanDerWaalsContact O-N 3.13Å; G221-C223 PolarHBondContact O-N 2.93Å
222S97.6Very high94.8Very high0 Ų015.4 Ų15.40%09%0.088CC..  trans-67.2127.8179.5-62.40000110.4S101 Y199 A216 G219 I220S101-S222 CarbonylContact O-C 3.54Å; S101-S222 VanDerWaalsContact O-CA 3.31Å; S101-S222 WeakPolarHBondContact O-CA 3.43Å; Y199-S222 PolarHBondContact OH-O 3.39Å; A216-S222 VanDerWaalsContact CB-O 3.26Å; A216-S222 WeakPolarHBondContact CB-O 3.42Å; A216-S222 PolarHBondContact N-O 3.17Å; G219-S222 WeakPolarHBondContact O-CB 3.48Å; G219-S222 PolarHBondContact O-N 3.28Å; G219-S222 PolarHBondContact O-OG 3.11Å; I220-S222 VanDerWaalsContact C-N 3.26Å; I220-S222 PolarHBondContact O-N 2.79Å
223C97.8Very high94.6Very high1 Ų114.1 Ų14.11%0.0078%0.083CC..EExtended strand (participates in β ladder)trans-124.3152-168.468.80000114S101 T125 Y199 L214 G221 W225S101-C223 VanDerWaalsContact CB-O 3.27Å; S101-C223 WeakPolarHBondContact CB-O 3.28Å; S101-C223 PolarHBondContact O-N 2.8Å; T125-C223 HydrophobicContact CG2-CB 4.14Å; Y199-C223 HydrophobicContact CD1-CB 4.41Å; Y199-C223 HydrophobicContact CE1-CB 3.89Å; L214-C223 CarbonylContact O-C 3.59Å; L214-C223 WeakPolarHBondContact O-CA 3.45Å; L214-C223 VanDerWaalsContact O-CB 3.28Å; L214-C223 WeakPolarHBondContact O-CB 3.36Å; G221-C223 PolarHBondContact O-N 2.93Å; C223-W225 VanDerWaalsContact SG-CE2 3.54Å; C223-W225 PolarHBondContact SG-NE1 3.31Å
224N98.2Very high94.5Very high1 Ų114.4 Ų14.41%0.0058%0.084CC..EExtended strand (participates in β ladder)trans-101.6143.8163.8-66.6-44.3000109G213 L214 Y236 I237 S238 T240 F255G213-N224 WeakPolarHBondContact CA-O 3.27Å; L214-N224 PolarHBondContact N-O 3.13Å; L214-N224 PolarHBondContact O-N 3.46Å; N224-Y236 WeakPolarHBondContact CB-O 3.29Å; N224-I237 VanDerWaalsContact OD1-CA 3.31Å; N224-I237 WeakPolarHBondContact OD1-CA 3.31Å; N224-S238 PolarHBondContact OD1-N 3.36Å; N224-T240 PolarHBondContact ND2-OG1 2.61Å; N224-T240 PolarHBondContact OD1-OG1 3.5Å; N224-T240 VanDerWaalsContact OD1-OG1 3.09Å; N224-F255 HydrophobicContact CB-CZ 4.23Å
225W98.4Very high94.5Very high0 Ų014.4 Ų14.40%08%0.084CC..EExtended strand (participates in β ladder)trans-103.8120-171.1-7099.1000111.9L99 V100 F123 I211 K212 C223 Y236L99-W225 HydrophobicContact CB-CD2 4.2Å; L99-W225 HydrophobicContact CB-CG 4.26Å; L99-W225 HydrophobicContact CB-CZ2 4.49Å; L99-W225 HydrophobicContact CD1-CB 4.21Å; L99-W225 HydrophobicContact CD1-CD2 4.11Å; L99-W225 HydrophobicContact CD1-CE3 4.38Å; L99-W225 HydrophobicContact CD1-CG 4.05Å; L99-W225 HydrophobicContact CD2-CD2 4.45Å; L99-W225 HydrophobicContact CD2-CE3 4.4Å; L99-W225 HydrophobicContact CD2-CZ3 4.43Å; L99-W225 HydrophobicContact CG-CD2 4.49Å; V100-W225 PolarHBondContact O-NE1 2.82Å; F123-W225 HydrophobicContact CB-CH2 4.01Å; I211-W225 HydrophobicContact CB-CE3 4.3Å; I211-W225 HydrophobicContact CB-CZ3 4.46Å; I211-W225 HydrophobicContact CD1-CE3 4.4Å; I211-W225 HydrophobicContact CD1-CZ3 3.91Å; I211-W225 HydrophobicContact CG1-CZ3 4.32Å; K212-W225 WeakPolarHBondContact O-CA 3.44Å; C223-W225 VanDerWaalsContact SG-CE2 3.54Å; C223-W225 PolarHBondContact SG-NE1 3.31Å; W225-Y236 PolarHBondContact N-O 3.15Å; W225-Y236 PolarHBondContact O-N 3.32Å
226I98.1Very high94.5Very high8 Ų814.3 Ų14.34%0.0418%0.083CC..EExtended strand (participates in β ladder)trans-93.8128.3166.7-54.9-56.5000108.5I211 K212 L214 T228 K233 A235 F255I211-I226 CarbonylContact C-O 3.59Å; I211-I226 VanDerWaalsContact CA-O 3.31Å; I211-I226 WeakPolarHBondContact CA-O 3.26Å; K212-I226 PolarHBondContact N-O 2.84Å; K212-I226 PolarHBondContact O-N 3.23Å; L214-I226 HydrophobicContact CD1-CD1 3.9Å; L214-I226 HydrophobicContact CD1-CG1 3.51Å; L214-I226 HydrophobicContact CG-CG1 3.93Å; I226-T228 HydrophobicContact CG2-CG2 4.17Å; I226-K233 HydrophobicContact CG2-CG 4.42Å; I226-A235 HydrophobicContact CD1-CB 3.54Å; I226-F255 HydrophobicContact CD1-CD1 4.39Å; I226-F255 HydrophobicContact CD1-CD2 4.37Å; I226-F255 HydrophobicContact CD1-CE1 4.23Å; I226-F255 HydrophobicContact CD1-CE2 4.27Å; I226-F255 HydrophobicContact CD1-CG 4.48Å; I226-F255 HydrophobicContact CD1-CZ 4.19Å
227I97.7Very high94.5Very high1 Ų114.3 Ų14.31%0.0058%0.083CC..EExtended strand (participates in β ladder)trans-125.6111.2-175.7-51.4161.1000107.7L16 I18 L23 L25 L99 L209 I211 V234L16-I227 HydrophobicContact CD2-CD1 3.77Å; I18-I227 HydrophobicContact CD1-CB 4.42Å; I18-I227 HydrophobicContact CD1-CG2 3.79Å; L23-I227 HydrophobicContact CD1-CD1 3.83Å; L23-I227 HydrophobicContact CD1-CG1 4.5Å; L23-I227 HydrophobicContact CD1-CG2 4.03Å; L25-I227 HydrophobicContact CD2-CD1 4.27Å; L99-I227 HydrophobicContact CD1-CD1 4.12Å; L99-I227 HydrophobicContact CD1-CG1 4.29Å; L209-I227 HydrophobicContact CB-CG2 4.44Å; L209-I227 HydrophobicContact CD1-CG2 4.06Å; L209-I227 HydrophobicContact CD2-CG2 4.41Å; I211-I227 HydrophobicContact CG2-CG1 4.18Å; I211-I227 HydrophobicContact CG2-CG2 4.25Å; I227-V234 HydrophobicContact CB-CB 4.45Å; I227-V234 PolarHBondContact N-O 3.06Å; I227-V234 PolarHBondContact O-N 3.27Å
228T94.9Very high94.5Very high46 Ų4614.3 Ų14.328%0.2828%0.083SC..EExtended strand (participates in β ladder)trans-116.4132.3-176.345.80000111.9L209 T210 I226 E232 K233L209-T228 CarbonylContact C-O 3.57Å; L209-T228 VanDerWaalsContact CA-O 3.26Å; L209-T228 WeakPolarHBondContact CA-O 3.08Å; T210-T228 PolarHBondContact N-O 2.87Å; T210-T228 PolarHBondContact O-N 3.41Å; T210-T228 PolarHBondContact O-OG1 3.17Å; I226-T228 HydrophobicContact CG2-CG2 4.17Å; T228-E232 CarbonylContact C-O 3.44Å; T228-E232 WeakPolarHBondContact CA-O 3.46Å; T228-K233 HydrophobicContact CG2-CB 4.16Å; T228-K233 HydrophobicContact CG2-CD 4.42Å; T228-K233 HydrophobicContact CG2-CG 3.93Å
229S89.4Confident94.5Very high21 Ų2112.1 Ų12.115%0.1478%0.075CC..  trans-97.9-172.7161.983.50000109.9R19 T231 E232R19-S229 PolarHBondContact NH2-OG 3.44Å; R19-S229 VanDerWaalsContact NH2-OG 3.13Å; S229-T231 PolarHBondContact O-N 3.5Å; S229-T231 PolarHBondContact OG-N 2.82Å; S229-T231 VanDerWaalsContact OG-N 3.08Å; S229-E232 WeakPolarHBondContact CB-OE2 3.27Å; S229-E232 PolarHBondContact N-O 2.86Å; S229-E232 WeakPolarHBondContact OG-CB 3.43Å; S229-E232 VanDerWaalsContact OG-CD 3.3Å; S229-E232 PolarHBondContact OG-N 2.94Å; S229-E232 PolarHBondContact OG-OE2 2.93Å
230S82.1Confident94.6Very high74 Ų7411.7 Ų11.752%0.5177%0.07SC..SBendtrans-62.8-22.6170.667.30000114.4R19R19-S230 PolarHBondContact NH1-OG 3.27Å; R19-S230 PolarHBondContact NH2-OG 2.83Å
231T81.1Confident94.5Very high22 Ų2211.5 Ų11.514%0.1357%0.069CC..SBendtrans-134.9-3.9-174.850.20000115.1R19 S229 R742R19-T231 PolarHBondContact NH2-OG1 2.83Å; S229-T231 PolarHBondContact O-N 3.5Å; S229-T231 PolarHBondContact OG-N 2.82Å; S229-T231 VanDerWaalsContact OG-N 3.08Å; T231-R742 HydrophobicContact CG2-CB 3.72Å; T231-R742 WeakPolarHBondContact O-CD 3.49Å; T231-R742 PolarHBondContact O-NH1 2.83Å
232E88.4Confident94.2Very high16 Ų1613.7 Ų13.78%0.0758%0.081CC..  trans-130.7142.5-178.6-62.187.5-137.600112.5R19 T228 S229 D259 L738R19-E232 IonicContact CZ-OE2 3.94Å; R19-E232 IonicContact NE-OE2 3Å; R19-E232 PolarHBondContact NE-OE2 2.8Å; R19-E232 IonicContact NH2-OE1 3.53Å; R19-E232 IonicContact NH2-OE2 3.72Å; R19-E232 PolarHBondContact NH2-OE2 2.99Å; T228-E232 CarbonylContact C-O 3.44Å; T228-E232 WeakPolarHBondContact CA-O 3.46Å; S229-E232 WeakPolarHBondContact CB-OE2 3.27Å; S229-E232 PolarHBondContact N-O 2.86Å; S229-E232 WeakPolarHBondContact OG-CB 3.43Å; S229-E232 VanDerWaalsContact OG-CD 3.3Å; S229-E232 PolarHBondContact OG-N 2.94Å; S229-E232 PolarHBondContact OG-OE2 2.93Å; E232-D259 WeakPolarHBondContact CA-OD2 3.28Å; E232-L738 HydrophobicContact CG-CB 4.11Å; E232-L738 HydrophobicContact CG-CD1 3.99Å; E232-L738 HydrophobicContact CG-CD2 3.94Å; E232-L738 HydrophobicContact CG-CG 4.2Å
233K93.7Very high93.7Very high40 Ų4016.3 Ų16.317%0.1749%0.094CC..EExtended strand (participates in β ladder)trans-124.2113.7171.9-179172.7179.11780110I226 T228 T254 E256 D259 V260I226-K233 HydrophobicContact CG2-CG 4.42Å; T228-K233 HydrophobicContact CG2-CB 4.16Å; T228-K233 HydrophobicContact CG2-CD 4.42Å; T228-K233 HydrophobicContact CG2-CG 3.93Å; K233-T254 WeakPolarHBondContact CE-O 3.45Å; K233-T254 PolarHBondContact NZ-O 2.66Å; K233-E256 PolarHBondContact NZ-O 2.77Å; K233-D259 PolarHBondContact N-OD2 3.13Å; K233-D259 WeakPolarHBondContact O-CA 3.49Å; K233-D259 WeakPolarHBondContact O-CB 3.37Å; K233-D259 PolarHBondContact O-N 3.17Å; K233-V260 PolarHBondContact O-N 2.91Å
234V96.4Very high93.1Very high6 Ų620.3 Ų20.34%0.03611%0.11CC..EExtended strand (participates in β ladder)trans-113129177.5-1770000108.6L16 I18 I227 V260 I262L16-V234 HydrophobicContact CD2-CG1 4.23Å; I18-V234 HydrophobicContact CD1-CB 4.06Å; I18-V234 HydrophobicContact CD1-CG2 3.73Å; I18-V234 HydrophobicContact CG1-CG2 4.49Å; I227-V234 HydrophobicContact CB-CB 4.45Å; I227-V234 PolarHBondContact N-O 3.06Å; I227-V234 PolarHBondContact O-N 3.27Å; V234-V260 WeakPolarHBondContact CA-O 3.19Å; V234-V260 HydrophobicContact CG1-CB 4.32Å; V234-V260 HydrophobicContact CG1-CG1 4.49Å; V234-V260 HydrophobicContact CG2-CB 4.26Å; V234-I262 HydrophobicContact CG1-CD1 3.66Å; V234-I262 HydrophobicContact CG1-CG1 4.12Å
235A97.9Very high92.8Very high0 Ų021.5 Ų21.50%012%0.119CC..EExtended strand (participates in β ladder)trans-111.6130.5175.200000109.8I226 F255 T258 V260 L261 I262I226-A235 HydrophobicContact CD1-CB 3.54Å; A235-F255 HydrophobicContact CB-CD1 3.87Å; A235-F255 HydrophobicContact CB-CE1 3.69Å; A235-T258 HydrophobicContact CB-CG2 3.81Å; A235-V260 PolarHBondContact N-O 3.23Å; A235-L261 HydrophobicContact CB-CD1 3.81Å; A235-I262 PolarHBondContact O-N 3.31Å
236Y98.2Very high92.5Very high0 Ų021.8 Ų21.80%012%0.12CC..EExtended strand (participates in β ladder)trans-113.4116.5175.3176.1-110.8000110.4Y14 L25 D26 S101 N224 W225 I262Y14-Y236 HydrophobicContact CD2-CE2 4.25Å; L25-Y236 HydrophobicContact CB-CD1 4.11Å; L25-Y236 HydrophobicContact CB-CD2 4.42Å; L25-Y236 HydrophobicContact CB-CE1 3.8Å; L25-Y236 HydrophobicContact CB-CE2 4.14Å; L25-Y236 HydrophobicContact CB-CG 4.41Å; L25-Y236 HydrophobicContact CD1-CD1 4.23Å; L25-Y236 HydrophobicContact CD1-CD2 3.61Å; L25-Y236 HydrophobicContact CD1-CE2 3.99Å; L25-Y236 HydrophobicContact CD1-CG 3.74Å; D26-Y236 WeakPolarHBondContact OD2-CE1 3.33Å; D26-Y236 PolarHBondContact OD2-OH 3.37Å; S101-Y236 WeakPolarHBondContact OG-CE1 3.29Å; N224-Y236 WeakPolarHBondContact CB-O 3.29Å; W225-Y236 PolarHBondContact N-O 3.15Å; W225-Y236 PolarHBondContact O-N 3.32Å; Y236-I262 WeakPolarHBondContact CA-O 3.44Å; Y236-I262 HydrophobicContact CD2-CB 4.06Å; Y236-I262 HydrophobicContact CD2-CG2 3.89Å; Y236-I262 HydrophobicContact CE2-CG2 4.35Å
237I97.7Very high92.4Very high1 Ų121.6 Ų21.61%0.00512%0.119CC..EExtended strand (participates in β ladder)trans-98122.5173.9-65.4-175.5000108.6N224 T240 F255 L261 I262 I263 G264 L687N224-I237 VanDerWaalsContact OD1-CA 3.31Å; N224-I237 WeakPolarHBondContact OD1-CA 3.31Å; I237-T240 WeakPolarHBondContact CG2-OG1 3.31Å; I237-F255 HydrophobicContact CD1-CE1 3.74Å; I237-F255 HydrophobicContact CD1-CZ 4.07Å; I237-F255 HydrophobicContact CG1-CE1 3.76Å; I237-F255 HydrophobicContact CG1-CZ 3.92Å; I237-L261 HydrophobicContact CD1-CD1 3.84Å; I237-L261 HydrophobicContact CG1-CD1 4.05Å; I237-I262 PolarHBondContact N-O 3.02Å; I237-I263 HydrophobicContact CB-CG1 4.34Å; I237-I263 HydrophobicContact CD1-CG1 4.45Å; I237-G264 PolarHBondContact O-N 3.27Å; I237-L687 HydrophobicContact CD1-CD1 4.19Å; I237-L687 HydrophobicContact CD1-CD2 4.09Å; I237-L687 HydrophobicContact CD1-CG 4.25Å; I237-L687 HydrophobicContact CG2-CD2 4.3Å
238S95.8Very high92.4Very high1 Ų124 Ų241%0.00713%0.132CC..  trans-103.7-133.1173.5-174.20000109.5D26 N102 N224 T240 T265D26-S238 VanDerWaalsContact OD2-CB 3.26Å; D26-S238 WeakPolarHBondContact OD2-CB 3.26Å; D26-S238 PolarHBondContact OD2-OG 3.08Å; N102-S238 PolarHBondContact ND2-OG 2.63Å; N224-S238 PolarHBondContact OD1-N 3.36Å; S238-T240 PolarHBondContact O-N 3.06Å; S238-T265 VanDerWaalsContact C-CG2 3.42Å
239H94.4Very high92.4Very high1 Ų124 Ų241%0.00513%0.132CC..SBendtrans-67.3101.7175.3-61.961.5000109.6N102 A216 Y218 R678N102-H239 HydrophobicContact CB-CB 4.31Å; N102-H239 PolarHBondContact ND2-CE1 2.86Å; N102-H239 PolarHBondContact ND2-ND1 2.83Å; N102-H239 VanDerWaalsContact ND2-ND1 3.14Å; A216-H239 WeakPolarHBondContact CB-O 3.38Å; Y218-H239 WeakPolarHBondContact CB-O 3.27Å; Y218-H239 HydrophobicContact CD1-CB 3.4Å; Y218-H239 VanDerWaalsContact CD1-CB 3.4Å; Y218-H239 HydrophobicContact CD2-CB 4.27Å; Y218-H239 HydrophobicContact CE1-CB 3.64Å; Y218-H239 AromaticContact CE1-CD2 3.75Å; Y218-H239 HydrophobicContact CE2-CB 4.47Å; Y218-H239 HydrophobicContact CG-CB 3.75Å; Y218-H239 AromaticContact CZ-CD2 3.8Å; H239-R678 HydrophobicContact CB-CG 4.38Å; H239-R678 PolarHBondContact CD2-NH1 3.13Å; H239-R678 PolarHBondContact NE2-NH1 3.48Å; H239-R678 VanDerWaalsContact NE2-NH1 3.15Å; H239-R678 PolarHBondContact NE2-NH2 3.21Å
240T95.5Very high92.8Very high0 Ų023.3 Ų23.30%013%0.127CC..  trans-116.9149.8179.2-72.30000111.2A216 N224 I237 S238 F250 R678 I679 L687A216-T240 CarbonylContact O-C 3.52Å; A216-T240 VanDerWaalsContact O-CA 3.22Å; A216-T240 WeakPolarHBondContact O-CA 3.48Å; A216-T240 WeakPolarHBondContact O-CG2 3.43Å; N224-T240 PolarHBondContact ND2-OG1 2.61Å; N224-T240 PolarHBondContact OD1-OG1 3.5Å; N224-T240 VanDerWaalsContact OD1-OG1 3.09Å; I237-T240 WeakPolarHBondContact CG2-OG1 3.31Å; S238-T240 PolarHBondContact O-N 3.06Å; T240-F250 HydrophobicContact CG2-CB 4.42Å; T240-F250 HydrophobicContact CG2-CD2 3.76Å; T240-F250 HydrophobicContact CG2-CE2 4.23Å; T240-F250 HydrophobicContact CG2-CG 4.07Å; T240-R678 WeakPolarHBondContact O-CA 3.37Å; T240-I679 PolarHBondContact O-N 3.45Å; T240-L687 HydrophobicContact CG2-CD1 4.11Å
241S93.7Very high93.4Very high2 Ų221.1 Ų21.11%0.01411%0.109CC..  trans-127150.4165-163.60000111.1A216 G217 L243 F250 A677A216-S241 PolarHBondContact O-N 2.81Å; G217-S241 WeakPolarHBondContact O-CB 3.49Å; S241-L243 WeakPolarHBondContact OG-CB 3.5Å; S241-L243 PolarHBondContact OG-N 2.9Å; S241-L243 VanDerWaalsContact OG-N 3.14Å; S241-F250 VanDerWaalsContact O-CB 3.3Å; S241-F250 WeakPolarHBondContact O-CB 3.3Å; S241-A677 WeakPolarHBondContact CB-O 3.49Å; S241-A677 PolarHBondContact OG-O 3.19Å
242L91.6Very high94.1Very high46 Ų4622.3 Ų22.324%0.24112%0.115CC..  trans-1031.9167.6-60-179.3000112.2F250 I679 Q686 L687L242-F250 HydrophobicContact CD2-CB 4.21Å; L242-F250 HydrophobicContact CD2-CD1 3.44Å; L242-F250 VanDerWaalsContact CD2-CD1 3.44Å; L242-F250 HydrophobicContact CD2-CE1 4.11Å; L242-F250 HydrophobicContact CD2-CG 4.04Å; L242-I679 HydrophobicContact CD1-CD1 3.86Å; L242-I679 HydrophobicContact CG-CD1 4.07Å; L242-Q686 HydrophobicContact CD1-CB 3.97Å; L242-L687 HydrophobicContact CD1-CB 4.25Å; L242-L687 HydrophobicContact CD2-CD1 4.11Å
243L87.3Confident94.4Very high55 Ų5524.8 Ų24.829%0.28813%0.134SC..SBendtrans-82.4144.6-178.1-60.3168.8000111.1S241 S245 L274 A677S241-L243 WeakPolarHBondContact OG-CB 3.5Å; S241-L243 PolarHBondContact OG-N 2.9Å; S241-L243 VanDerWaalsContact OG-N 3.14Å; L243-S245 PolarHBondContact O-N 2.74Å; L243-L274 HydrophobicContact CD1-CD2 3.51Å; L243-A677 HydrophobicContact CD1-CB 4.14Å
244Y85.9Confident94.4Very high85 Ų8525 Ų2533%0.33314%0.139SC..  trans-81.8114.4172-159.7-86.3000109.7P249 L381 N440 V442Y244-P249 HydrophobicContact CD2-CG 4.24Å; Y244-P249 HydrophobicContact CE2-CG 4.05Å; Y244-L381 HydrophobicContact CD1-CB 4.11Å; Y244-L381 HydrophobicContact CD1-CD1 3.86Å; Y244-L381 HydrophobicContact CE1-CB 4.18Å; Y244-L381 HydrophobicContact CG-CD1 4.33Å; Y244-N440 HydrophobicContact CE1-CB 4.28Å; Y244-N440 VanDerWaalsContact CE1-ND2 3.33Å; Y244-N440 WeakPolarHBondContact CE1-ND2 3.25Å; Y244-N440 HydrophobicContact CE2-CB 4.45Å; Y244-V442 WeakPolarHBondContact OH-CG2 3.37Å
245S90.1Very high94.3Very high27 Ų2724.8 Ų24.819%0.18914%0.137CC..SBendtrans-135.5-172.1176.564.70000109.2L243 V247 N440L243-S245 PolarHBondContact O-N 2.74Å; S245-V247 PolarHBondContact O-N 2.92Å; S245-V247 VanDerWaalsContact O-N 3.1Å; S245-N440 PolarHBondContact O-ND2 2.71Å
246H93.6Very high93.9Very high6 Ų632.2 Ų32.23%0.02817%0.172CC..SBendtrans-57.4-22.3179.767.1-88.3000115.9F306 D307 L439 N440 F454H246-F306 AromaticContact NE2-CD2 3.69Å; H246-D307 IonicContact CE1-OD1 3.83Å; H246-D307 IonicContact CE1-OD2 3.42Å; H246-D307 PolarHBondContact CE1-OD2 3.31Å; H246-D307 IonicContact CG-OD1 3.82Å; H246-D307 PolarHBondContact N-OD1 3.46Å; H246-D307 VanDerWaalsContact N-OD1 3.12Å; H246-D307 IonicContact ND1-OD1 2.71Å; H246-D307 PolarHBondContact ND1-OD1 2.81Å; H246-D307 IonicContact ND1-OD2 3.04Å; H246-D307 PolarHBondContact ND1-OD2 2.81Å; H246-L439 CarbonylContact O-C 3.37Å; H246-L439 VanDerWaalsContact O-CA 3.29Å; H246-L439 WeakPolarHBondContact O-CA 3.34Å; H246-L439 VanDerWaalsContact O-CB 3.3Å; H246-L439 WeakPolarHBondContact O-CB 3.36Å; H246-N440 PolarHBondContact O-N 2.99Å; H246-F454 HydrophobicContact CB-CE1 3.83Å; H246-F454 HydrophobicContact CB-CZ 3.58Å; H246-F454 AromaticContact CD2-CZ 3.65Å; H246-F454 AromaticContact CG-CZ 3.69Å
247V95.7Very high93.4Very high3 Ų338.7 Ų38.72%0.01821%0.207CC..BIsolated β-bridgetrans-82.2158.4-174.1-48.40000112.5G217 I220 S245 P249 N440G217-V247 VanDerWaalsContact C-CG2 3.42Å; G217-V247 WeakPolarHBondContact O-CG2 3.1Å; I220-V247 HydrophobicContact CG1-CG1 3.93Å; S245-V247 PolarHBondContact O-N 2.92Å; S245-V247 VanDerWaalsContact O-N 3.1Å; V247-P249 WeakPolarHBondContact O-CD 3.33Å; V247-N440 WeakPolarHBondContact O-CB 3.38Å
248L96.3Very high93.2Very high52 Ų5239 Ų3927%0.27221%0.208SC..PPolyproline II helixtrans-55.9125.8172.1-171.967.9000110Y199 S215 G217 W438 L439Y199-L248 HydrophobicContact CD2-CD2 3.79Å; Y199-L248 HydrophobicContact CE2-CD2 3.59Å; S215-L248 PolarHBondContact OG-O 2.77Å; G217-L248 WeakPolarHBondContact CA-O 3.46Å; L248-W438 PolarHBondContact N-O 2.91Å; L248-L439 WeakPolarHBondContact CA-O 3.33Å; L248-L439 WeakPolarHBondContact CB-O 3.47Å; L248-L439 WeakPolarHBondContact CD1-O 3.24Å; L248-L439 VanDerWaalsContact N-C 3.28Å
249P96.6Very high93.1Very high45 Ų4538.9 Ų38.929%0.29221%0.208SC..PPolyproline II helixtrans-57.4166.2-175.3-28.636.6000114.8S215 Y244 V247 D251S215-P249 WeakPolarHBondContact CB-O 3.19Å; S215-P249 PolarHBondContact OG-O 2.94Å; S215-P249 VanDerWaalsContact OG-O 3.08Å; Y244-P249 HydrophobicContact CD2-CG 4.24Å; Y244-P249 HydrophobicContact CE2-CG 4.05Å; V247-P249 WeakPolarHBondContact O-CD 3.33Å; P249-D251 PolarHBondContact O-N 3.01Å
250F96.7Very high93.2Very high7 Ų739.2 Ų39.23%0.03121%0.21CC..PPolyproline II helixtrans-60.9125.5173.2167.1-110.8000111.6S215 T240 S241 L242 D252 F255 L687 R690S215-F250 WeakPolarHBondContact O-CA 3.35Å; T240-F250 HydrophobicContact CG2-CB 4.42Å; T240-F250 HydrophobicContact CG2-CD2 3.76Å; T240-F250 HydrophobicContact CG2-CE2 4.23Å; T240-F250 HydrophobicContact CG2-CG 4.07Å; S241-F250 VanDerWaalsContact O-CB 3.3Å; S241-F250 WeakPolarHBondContact O-CB 3.3Å; L242-F250 HydrophobicContact CD2-CB 4.21Å; L242-F250 HydrophobicContact CD2-CD1 3.44Å; L242-F250 VanDerWaalsContact CD2-CD1 3.44Å; L242-F250 HydrophobicContact CD2-CE1 4.11Å; L242-F250 HydrophobicContact CD2-CG 4.04Å; F250-D252 HydrophobicContact CE1-CB 3.88Å; F250-D252 HydrophobicContact CZ-CB 4.13Å; F250-F255 AromaticContact CE2-CE2 3.95Å; F250-F255 HydrophobicContact CE2-CE2 3.95Å; F250-F255 HydrophobicContact CE2-CZ 4.11Å; F250-F255 HydrophobicContact CZ-CE2 4.03Å; F250-F255 HydrophobicContact CZ-CZ 4.27Å; F250-L687 HydrophobicContact CD1-CD1 4.36Å; F250-L687 HydrophobicContact CE1-CD1 3.76Å; F250-L687 HydrophobicContact CE2-CD1 4.33Å; F250-L687 HydrophobicContact CZ-CD1 3.74Å; F250-R690 HydrophobicContact CE1-CB 4.12Å; F250-R690 PolarHBondContact O-NH1 3.24Å; F250-R690 PolarHBondContact O-NH2 2.93Å
251D96.1Very high93.3Very high28 Ų2839.3 Ų39.315%0.1521%0.21CC..  trans-100.8113.7-179.4168.438.2000111H200 L214 S215 P249 S253 F255H200-D251 IonicContact CE1-OD2 2.72Å; H200-D251 PolarHBondContact CE1-OD2 3.07Å; H200-D251 IonicContact ND1-OD2 3.4Å; H200-D251 IonicContact NE2-OD2 3.52Å; L214-D251 HydrophobicContact CB-CB 4.37Å; L214-D251 WeakPolarHBondContact CB-OD2 3.26Å; L214-D251 WeakPolarHBondContact CD2-OD2 3.41Å; S215-D251 PolarHBondContact O-N 3.09Å; P249-D251 PolarHBondContact O-N 3.01Å; D251-S253 WeakPolarHBondContact OD1-CB 3.49Å; D251-S253 PolarHBondContact OD1-N 3.4Å; D251-S253 PolarHBondContact OD1-OG 3.02Å; D251-S253 PolarHBondContact OD2-OG 3.26Å; D251-F255 WeakPolarHBondContact O-CE2 3.22Å
252D94.8Very high93.5Very high47 Ų4739.3 Ų39.325%0.25121%0.21SC..  trans-98.6-1.8174.950.6-9.9000113.7F250 T254 F255 R690F250-D252 HydrophobicContact CE1-CB 3.88Å; F250-D252 HydrophobicContact CZ-CB 4.13Å; D252-T254 PolarHBondContact O-N 3.47Å; D252-F255 HydrophobicContact CB-CD2 4.42Å; D252-F255 PolarHBondContact O-N 3.16Å; D252-R690 HydrophobicContact CB-CB 4.31Å; D252-R690 IonicContact OD1-CZ 3.62Å; D252-R690 IonicContact OD1-NE 2.63Å; D252-R690 IonicContact OD1-NH2 3.88Å; D252-R690 PolarHBondContact OD1-NH2 3.45Å; D252-R690 WeakPolarHBondContact OD2-CB 3.41Å; D252-R690 IonicContact OD2-CZ 3.81Å; D252-R690 IonicContact OD2-NE 2.75Å; D252-R690 PolarHBondContact OD2-NE 3.33Å; D252-R690 IonicContact OD2-NH2 2.67Å; D252-R690 PolarHBondContact OD2-NH2 2.91Å
253S94.9Very high93.7Very high69 Ų6937.2 Ų37.248%0.48320%0.199SC..THydrogen-bonded Turntrans-57.2-18.5-16764.30000116.1D251D251-S253 WeakPolarHBondContact OD1-CB 3.49Å; D251-S253 PolarHBondContact OD1-N 3.4Å; D251-S253 PolarHBondContact OD1-OG 3.02Å; D251-S253 PolarHBondContact OD2-OG 3.26Å
254T93.8Very high94Very high44 Ų4434.7 Ų34.727%0.2719%0.186SC..THydrogen-bonded Turntrans-12523.6176.367.20000114L214 K233 D252L214-T254 VanDerWaalsContact CD1-OG1 3.3Å; L214-T254 WeakPolarHBondContact CD1-OG1 3.34Å; L214-T254 WeakPolarHBondContact CD2-OG1 3.17Å; K233-T254 WeakPolarHBondContact CE-O 3.45Å; K233-T254 PolarHBondContact NZ-O 2.66Å; D252-T254 PolarHBondContact O-N 3.47Å
255F94.3Very high94.4Very high1 Ų130.6 Ų30.60%0.00417%0.17CC..  trans-84-18.6172.1-80.4-101.1000114.4L214 N224 I226 A235 I237 F250 D251 D252 T258 L261 C691L214-F255 HydrophobicContact CD1-CD2 3.83Å; L214-F255 HydrophobicContact CD1-CE2 3.5Å; L214-F255 VanDerWaalsContact CD1-CE2 3.5Å; L214-F255 HydrophobicContact CD1-CZ 4.42Å; N224-F255 HydrophobicContact CB-CZ 4.23Å; I226-F255 HydrophobicContact CD1-CD1 4.39Å; I226-F255 HydrophobicContact CD1-CD2 4.37Å; I226-F255 HydrophobicContact CD1-CE1 4.23Å; I226-F255 HydrophobicContact CD1-CE2 4.27Å; I226-F255 HydrophobicContact CD1-CG 4.48Å; I226-F255 HydrophobicContact CD1-CZ 4.19Å; A235-F255 HydrophobicContact CB-CD1 3.87Å; A235-F255 HydrophobicContact CB-CE1 3.69Å; I237-F255 HydrophobicContact CD1-CE1 3.74Å; I237-F255 HydrophobicContact CD1-CZ 4.07Å; I237-F255 HydrophobicContact CG1-CE1 3.76Å; I237-F255 HydrophobicContact CG1-CZ 3.92Å; F250-F255 AromaticContact CE2-CE2 3.95Å; F250-F255 HydrophobicContact CE2-CE2 3.95Å; F250-F255 HydrophobicContact CE2-CZ 4.11Å; F250-F255 HydrophobicContact CZ-CE2 4.03Å; F250-F255 HydrophobicContact CZ-CZ 4.27Å; D251-F255 WeakPolarHBondContact O-CE2 3.22Å; D252-F255 HydrophobicContact CB-CD2 4.42Å; D252-F255 PolarHBondContact O-N 3.16Å; F255-T258 VanDerWaalsContact O-CB 3.24Å; F255-T258 WeakPolarHBondContact O-CB 3.32Å; F255-T258 PolarHBondContact O-N 3.42Å; F255-T258 PolarHBondContact O-OG1 3.02Å; F255-L261 HydrophobicContact CD1-CD1 4.08Å; F255-L261 HydrophobicContact CE1-CD1 3.86Å; F255-C691 HydrophobicContact CB-CB 4.21Å; F255-C691 WeakPolarHBondContact CB-O 3.31Å; F255-C691 HydrophobicContact CD1-CB 3.89Å; F255-C691 HydrophobicContact CG-CB 4.26Å
256E88.7Confident94.4Very high157 Ų15729.3 Ų29.373%0.73416%0.161SC*.THydrogen-bonded Turntrans-51.7146.6177.7-62-169.3144.500113.1K233 T258K233-E256 PolarHBondContact NZ-O 2.77Å; E256-T258 PolarHBondContact O-N 2.92Å
257D88.2Confident94Very high136 Ų13629.2 Ų29.273%0.72716%0.161SC*.THydrogen-bonded Turntrans5519-178.1-79.7-31.2000116.1D259D257-D259 PolarHBondContact O-N 2.58Å
258T94.2Very high93.3Very high6 Ų629.9 Ų29.94%0.03716%0.164CC..  trans-59.2131.6172.9-70.40000111.3A235 F255 E256 V260 L261 P694 R695A235-T258 HydrophobicContact CB-CG2 3.81Å; F255-T258 VanDerWaalsContact O-CB 3.24Å; F255-T258 WeakPolarHBondContact O-CB 3.32Å; F255-T258 PolarHBondContact O-N 3.42Å; F255-T258 PolarHBondContact O-OG1 3.02Å; E256-T258 PolarHBondContact O-N 2.92Å; T258-V260 VanDerWaalsContact CG2-O 3.3Å; T258-V260 WeakPolarHBondContact CG2-O 3.46Å; T258-L261 HydrophobicContact CG2-CB 4.28Å; T258-P694 CarbonylContact O-C 3.47Å; T258-P694 VanDerWaalsContact O-CA 3.29Å; T258-P694 WeakPolarHBondContact O-CA 3.33Å; T258-R695 PolarHBondContact O-N 3.27Å
259D93.5Very high92.2Very high0 Ų029.7 Ų29.70%016%0.16CC..SBendtrans-81.9-44.4179.4-61.4-61.6000111.9E232 K233 D257 R695 L696 A697 R742E232-D259 WeakPolarHBondContact CA-OD2 3.28Å; K233-D259 PolarHBondContact N-OD2 3.13Å; K233-D259 WeakPolarHBondContact O-CA 3.49Å; K233-D259 WeakPolarHBondContact O-CB 3.37Å; K233-D259 PolarHBondContact O-N 3.17Å; D257-D259 PolarHBondContact O-N 2.58Å; D259-R695 IonicContact OD1-CZ 3.27Å; D259-R695 IonicContact OD1-NE 2.65Å; D259-R695 PolarHBondContact OD1-NE 3.5Å; D259-R695 IonicContact OD1-NH2 2.71Å; D259-R695 PolarHBondContact OD1-NH2 3.34Å; D259-L696 HydrophobicContact CB-CD1 4.03Å; D259-L696 HydrophobicContact CB-CG 4.21Å; D259-L696 WeakPolarHBondContact O-CA 3.37Å; D259-L696 VanDerWaalsContact O-CB 3.28Å; D259-L696 WeakPolarHBondContact O-CB 3.33Å; D259-L696 PolarHBondContact O-N 3.27Å; D259-A697 PolarHBondContact O-N 2.95Å; D259-A697 VanDerWaalsContact O-N 3.13Å; D259-R742 VanDerWaalsContact CG-NH1 3.26Å; D259-R742 IonicContact OD1-CZ 2.98Å; D259-R742 IonicContact OD1-NH1 3Å; D259-R742 PolarHBondContact OD1-NH1 3.21Å; D259-R742 IonicContact OD1-NH2 3.91Å; D259-R742 PolarHBondContact OD1-NH2 2.69Å; D259-R742 IonicContact OD2-CZ 2.71Å; D259-R742 IonicContact OD2-NH1 3.1Å; D259-R742 PolarHBondContact OD2-NH1 3.29Å; D259-R742 IonicContact OD2-NH2 3.6Å
260V95.9Very high90.8Very high7 Ų728.9 Ų28.94%0.04216%0.157CC..EExtended strand (participates in β ladder)trans-131117178.4-179.50000109.2K233 V234 A235 T258 I262 L696 A697 I699 I736 L738K233-V260 PolarHBondContact O-N 2.91Å; V234-V260 WeakPolarHBondContact CA-O 3.19Å; V234-V260 HydrophobicContact CG1-CB 4.32Å; V234-V260 HydrophobicContact CG1-CG1 4.49Å; V234-V260 HydrophobicContact CG2-CB 4.26Å; A235-V260 PolarHBondContact N-O 3.23Å; T258-V260 VanDerWaalsContact CG2-O 3.3Å; T258-V260 WeakPolarHBondContact CG2-O 3.46Å; V260-I262 HydrophobicContact CG1-CD1 4.45Å; V260-I262 HydrophobicContact CG1-CG1 3.93Å; V260-L696 HydrophobicContact CG2-CB 4.45Å; V260-A697 WeakPolarHBondContact CA-O 3.19Å; V260-A697 HydrophobicContact CG1-CB 4.24Å; V260-A697 HydrophobicContact CG2-CB 4.28Å; V260-I699 HydrophobicContact CG1-CD1 3.95Å; V260-I699 HydrophobicContact CG1-CG1 4.35Å; V260-I736 HydrophobicContact CG1-CD1 3.94Å; V260-I736 HydrophobicContact CG2-CD1 4.18Å; V260-I736 HydrophobicContact CG2-CG2 4.49Å; V260-L738 HydrophobicContact CG2-CD2 4.26Å
261L97.1Very high89.2Confident3 Ų330.9 Ų30.92%0.01617%0.172CC..EExtended strand (participates in β ladder)trans-99.1126.2171.8-179.657.4000108.9A235 I237 F255 T258 C691 P694 A697 L698 I699A235-L261 HydrophobicContact CB-CD1 3.81Å; I237-L261 HydrophobicContact CD1-CD1 3.84Å; I237-L261 HydrophobicContact CG1-CD1 4.05Å; F255-L261 HydrophobicContact CD1-CD1 4.08Å; F255-L261 HydrophobicContact CE1-CD1 3.86Å; T258-L261 HydrophobicContact CG2-CB 4.28Å; L261-C691 HydrophobicContact CD2-CB 3.78Å; L261-P694 HydrophobicContact CB-CB 3.95Å; L261-P694 HydrophobicContact CB-CG 4.03Å; L261-A697 PolarHBondContact N-O 2.88Å; L261-L698 HydrophobicContact CB-CD1 4.06Å; L261-L698 HydrophobicContact CD2-CD1 3.99Å; L261-L698 HydrophobicContact CG-CD1 3.9Å; L261-L698 WeakPolarHBondContact O-CA 3.43Å; L261-I699 PolarHBondContact O-N 3.22Å
262I97.7Very high87.6Confident2 Ų233.9 Ų33.91%0.0119%0.188CC..EExtended strand (participates in β ladder)trans-117.3113.5-178.8-46.8-178.5000107.8L2 L16 V234 A235 Y236 I237 V260 I699L2-I262 HydrophobicContact CD1-CD1 4.27Å; L2-I262 HydrophobicContact CD2-CD1 4.23Å; L2-I262 HydrophobicContact CD2-CG2 3.83Å; L16-I262 HydrophobicContact CD1-CD1 4.46Å; L16-I262 HydrophobicContact CD2-CD1 4.21Å; V234-I262 HydrophobicContact CG1-CD1 3.66Å; V234-I262 HydrophobicContact CG1-CG1 4.12Å; A235-I262 PolarHBondContact O-N 3.31Å; Y236-I262 WeakPolarHBondContact CA-O 3.44Å; Y236-I262 HydrophobicContact CD2-CB 4.06Å; Y236-I262 HydrophobicContact CD2-CG2 3.89Å; Y236-I262 HydrophobicContact CE2-CG2 4.35Å; I237-I262 PolarHBondContact N-O 3.02Å; V260-I262 HydrophobicContact CG1-CD1 4.45Å; V260-I262 HydrophobicContact CG1-CG1 3.93Å; I262-I699 HydrophobicContact CD1-CD1 4.46Å; I262-I699 HydrophobicContact CG1-CD1 4.11Å; I262-I699 HydrophobicContact CG2-CB 4.39Å
263I96.8Very high86.5Confident2 Ų236.2 Ų36.21%0.0120%0.197CC..EExtended strand (participates in β ladder)trans-96.1109.6169.5-57.4-176.7000107I237 V266 L687 I688 L698 I699 L700 P701I237-I263 HydrophobicContact CB-CG1 4.34Å; I237-I263 HydrophobicContact CD1-CG1 4.45Å; I263-V266 HydrophobicContact CG2-CG2 3.83Å; I263-L687 HydrophobicContact CD1-CD2 4.01Å; I263-I688 HydrophobicContact CD1-CG1 4.36Å; I263-L698 HydrophobicContact CD1-CD1 4.35Å; I263-L698 HydrophobicContact CG1-CD1 4.4Å; I263-I699 PolarHBondContact N-O 3.28Å; I263-L700 HydrophobicContact CB-CD2 3.91Å; I263-L700 HydrophobicContact CD1-CD2 3.76Å; I263-L700 HydrophobicContact CG1-CD2 4.06Å; I263-P701 VanDerWaalsContact O-CD 3.31Å; I263-P701 WeakPolarHBondContact O-CD 3.38Å
264G94.1Very high86Confident1 Ų134.3 Ų34.31%0.0118%0.182CC..  trans-81.6-26.6-174.200000114.4Y14 I237Y14-G264 WeakPolarHBondContact CE2-O 3.28Å; Y14-G264 PolarHBondContact OH-O 3.07Å; I237-G264 PolarHBondContact O-N 3.27Å
265T92.9Very high85.5Confident0 Ų039.8 Ų39.80%020%0.204CC..  trans-153.5151.6-177.5-177.40000111.9V9 P12 S238 R678V9-T265 VanDerWaalsContact O-CB 3.24Å; V9-T265 WeakPolarHBondContact O-CB 3.37Å; V9-T265 PolarHBondContact O-OG1 3.24Å; P12-T265 HydrophobicContact CG-CG2 3.97Å; S238-T265 VanDerWaalsContact C-CG2 3.42Å; T265-R678 PolarHBondContact OG1-NH1 3.4Å
266V90Very high85.2Confident0 Ų044.9 Ų44.90%023%0.226CC..  trans-145.5144177.8174.90000107.3I263 M268 A681 I684 V704I263-V266 HydrophobicContact CG2-CG2 3.83Å; V266-M268 PolarHBondContact O-N 3.37Å; V266-A681 HydrophobicContact CG1-CB 4Å; V266-I684 HydrophobicContact CG1-CD1 4.08Å; V266-I684 HydrophobicContact CG1-CG1 4.48Å; V266-I684 HydrophobicContact CG2-CD1 3.96Å; V266-I684 HydrophobicContact CG2-CG1 4.42Å; V266-V704 HydrophobicContact CB-CG2 3.8Å; V266-V704 HydrophobicContact CG1-CG2 4.38Å; V266-V704 HydrophobicContact CG2-CG1 4.17Å; V266-V704 HydrophobicContact CG2-CG2 3.85Å
267N86Confident85.2Confident3 Ų338 Ų382%0.01620%0.195CC..BIsolated β-bridgetrans-77.1104.6174.2-173.82.5000110.5H10 Y269 A270 E676 R678 I679H10-N267 PolarHBondContact CE1-OD1 3.05Å; N267-Y269 PolarHBondContact O-N 3.2Å; N267-Y269 WeakPolarHBondContact OD1-CA 3.2Å; N267-Y269 PolarHBondContact OD1-N 3.41Å; N267-A270 HydrophobicContact CB-CB 4Å; N267-A270 PolarHBondContact O-N 3.08Å; N267-A270 PolarHBondContact OD1-N 2.92Å; N267-E676 PolarHBondContact ND2-O 3.45Å; N267-R678 HydrophobicContact CB-CB 4.12Å; N267-R678 HydrophobicContact CB-CG 4.45Å; N267-R678 VanDerWaalsContact CB-O 3.24Å; N267-R678 WeakPolarHBondContact CB-O 3.35Å; N267-I679 WeakPolarHBondContact CB-O 3.47Å; N267-I679 PolarHBondContact N-O 3.47Å
268M81.6Confident85.3Confident18 Ų1833.1 Ų33.19%0.08917%0.17CC..THydrogen-bonded Turntrans-75.3-11.8177.1-62.6-64.9-86.600113.6V9 H10 V266 W622 A681 E703 V704 K707V9-M268 HydrophobicContact CG1-CG 3.84Å; H10-M268 PolarHBondContact CE1-N 2.86Å; H10-M268 VanDerWaalsContact CE1-N 3.28Å; H10-M268 PolarHBondContact NE2-N 2.83Å; V266-M268 PolarHBondContact O-N 3.37Å; M268-W622 HydrophobicContact CE-CD2 4.35Å; M268-W622 HydrophobicContact CE-CH2 3.72Å; M268-W622 HydrophobicContact CE-CZ2 3.32Å; M268-W622 HydrophobicContact CE-CZ3 4.34Å; M268-A681 HydrophobicContact SD-CB 4.24Å; M268-E703 HydrophobicContact CE-CB 3.96Å; M268-E703 WeakPolarHBondContact CE-O 3.29Å; M268-V704 HydrophobicContact SD-CG2 3.94Å; M268-K707 HydrophobicContact CE-CD 4.06Å; M268-K707 VanDerWaalsContact CE-CE 3.44Å; M268-K707 VanDerWaalsContact CE-NZ 3.31Å; M268-K707 HydrophobicContact SD-CD 4.41Å; M268-K707 PolarHBondContact SD-NZ 3.1Å
269Y73.1Confident85.2Confident48 Ų4839.2 Ų39.219%0.18820%0.198CC..THydrogen-bonded Turntrans-104.24.3177.9-42.8-55.8000113.3H10 N267 S271 V617H10-Y269 AromaticContact CD2-CE2 3.77Å; H10-Y269 AromaticContact CE1-CD2 3.26Å; H10-Y269 WeakPolarHBondContact CE1-CD2 3.41Å; H10-Y269 AromaticContact CE1-CE2 3.21Å; H10-Y269 WeakPolarHBondContact CE1-CE2 3.44Å; H10-Y269 AromaticContact ND1-CD2 3.98Å; H10-Y269 AromaticContact ND1-CE2 3.8Å; H10-Y269 AromaticContact NE2-CD2 3.69Å; H10-Y269 AromaticContact NE2-CE2 3.22Å; H10-Y269 WeakPolarHBondContact NE2-CE2 3.36Å; H10-Y269 AromaticContact NE2-CZ 3.58Å; N267-Y269 PolarHBondContact O-N 3.2Å; N267-Y269 WeakPolarHBondContact OD1-CA 3.2Å; N267-Y269 PolarHBondContact OD1-N 3.41Å; Y269-S271 PolarHBondContact O-N 3.42Å; Y269-V617 HydrophobicContact CD1-CG1 4.28Å; Y269-V617 HydrophobicContact CD2-CB 4.39Å; Y269-V617 HydrophobicContact CE1-CB 4.22Å; Y269-V617 HydrophobicContact CE1-CG1 3.52Å; Y269-V617 HydrophobicContact CE2-CB 3.81Å; Y269-V617 HydrophobicContact CE2-CG1 3.98Å; Y269-V617 HydrophobicContact CE2-CG2 4.48Å; Y269-V617 WeakPolarHBondContact OH-CG1 3.45Å
270A67.6Low85.2Confident28 Ų2840.6 Ų40.623%0.23120%0.204CC..  trans-59.5127.8-177.100000111.5N267N267-A270 HydrophobicContact CB-CB 4Å; N267-A270 PolarHBondContact O-N 3.08Å; N267-A270 PolarHBondContact OD1-N 2.92Å
271S62.6Low85.1Confident48 Ų4840.2 Ų40.234%0.33620%0.202SC..  trans-76.7135.9158.7-179.20000108.6Y269 E273Y269-S271 PolarHBondContact O-N 3.42Å; S271-E273 PolarHBondContact O-N 3.31Å; S271-E273 VanDerWaalsContact O-N 3.15Å; S271-E273 PolarHBondContact OG-N 2.92Å; S271-E273 VanDerWaalsContact OG-N 3.12Å
272D62.2Low85.1Confident92 Ų9241 Ų4149%0.49221%0.208SC..THydrogen-bonded Turntrans-68.6-6.2170.2-43.1-62.8000111.8Q682D272-Q682 PolarHBondContact OD1-NE2 3.22Å; D272-Q682 PolarHBondContact OD2-NE2 3.17Å
273E72.4Confident84.9Confident95 Ų9543.9 Ų43.944%0.44422%0.221SC..THydrogen-bonded Turntrans-121.444.9-170-44.7-162.5144.200111.5S271 E275 K276 T277S271-E273 PolarHBondContact O-N 3.31Å; S271-E273 VanDerWaalsContact O-N 3.15Å; S271-E273 PolarHBondContact OG-N 2.92Å; S271-E273 VanDerWaalsContact OG-N 3.12Å; E273-E275 PolarHBondContact O-N 2.84Å; E273-K276 HydrophobicContact CB-CB 4.21Å; E273-K276 HydrophobicContact CB-CD 4.18Å; E273-K276 HydrophobicContact CB-CG 4.18Å; E273-K276 VanDerWaalsContact CD-CE 3.48Å; E273-K276 PolarHBondContact O-N 2.8Å; E273-K276 IonicContact OE1-NZ 2.84Å; E273-K276 PolarHBondContact OE1-NZ 2.86Å; E273-K276 WeakPolarHBondContact OE2-CD 3.26Å; E273-K276 VanDerWaalsContact OE2-CE 3.31Å; E273-K276 WeakPolarHBondContact OE2-CE 3.31Å; E273-K276 IonicContact OE2-NZ 2.78Å; E273-K276 PolarHBondContact OE2-NZ 3.47Å; E273-T277 PolarHBondContact O-N 3.07Å; E273-T277 PolarHBondContact O-OG1 2.97Å
274L82.4Confident84.9Confident30 Ų3043.8 Ų43.816%0.15722%0.221CC..Hα-helixtrans-56.5-38.1178.3-174.470.3000111.8L243 K276 T277 V278 M675 A677L243-L274 HydrophobicContact CD1-CD2 3.51Å; L274-K276 PolarHBondContact O-N 2.8Å; L274-T277 CarbonylContact O-C 3.35Å; L274-T277 WeakPolarHBondContact O-CA 3.36Å; L274-T277 VanDerWaalsContact O-CB 3.24Å; L274-T277 WeakPolarHBondContact O-CB 3.41Å; L274-T277 PolarHBondContact O-N 3.17Å; L274-T277 VanDerWaalsContact O-N 3.07Å; L274-V278 WeakPolarHBondContact O-CG2 3.45Å; L274-V278 PolarHBondContact O-N 3.31Å; L274-M675 HydrophobicContact CD1-CB 4.16Å; L274-M675 HydrophobicContact CD1-CG 4.12Å; L274-A677 HydrophobicContact CD2-CB 4.41Å
275E84.3Confident85Confident158 Ų15843.8 Ų43.874%0.73822%0.22SC*.Hα-helixtrans-56.3-51.3176.1-63.6177.9165.700111.3E273 T277 V278 E279E273-E275 PolarHBondContact O-N 2.84Å; E275-T277 PolarHBondContact O-N 3.15Å; E275-V278 CarbonylContact O-C 3.57Å; E275-V278 WeakPolarHBondContact O-CA 3.5Å; E275-V278 WeakPolarHBondContact O-CB 3.43Å; E275-V278 PolarHBondContact O-N 3.38Å; E275-E279 PolarHBondContact O-N 2.79Å
276K87.1Confident85.2Confident108 Ų10844.4 Ų44.447%0.4722%0.224SC..Hα-helixtrans-64.6-30175.2-52.8-168.8-151.2163.70112.8E273 L274 V278 E279 E280E273-K276 HydrophobicContact CB-CB 4.21Å; E273-K276 HydrophobicContact CB-CD 4.18Å; E273-K276 HydrophobicContact CB-CG 4.18Å; E273-K276 VanDerWaalsContact CD-CE 3.48Å; E273-K276 PolarHBondContact O-N 2.8Å; E273-K276 IonicContact OE1-NZ 2.84Å; E273-K276 PolarHBondContact OE1-NZ 2.86Å; E273-K276 WeakPolarHBondContact OE2-CD 3.26Å; E273-K276 VanDerWaalsContact OE2-CE 3.31Å; E273-K276 WeakPolarHBondContact OE2-CE 3.31Å; E273-K276 IonicContact OE2-NZ 2.78Å; E273-K276 PolarHBondContact OE2-NZ 3.47Å; L274-K276 PolarHBondContact O-N 2.8Å; K276-V278 VanDerWaalsContact C-N 3.31Å; K276-E279 PolarHBondContact O-N 2.66Å; K276-E280 WeakPolarHBondContact O-CB 3.37Å; K276-E280 PolarHBondContact O-N 3.19Å
277T88.8Confident85.4Confident14 Ų1444.6 Ų44.69%0.08623%0.225CC..Hα-helixtrans-66.1-36.7174.2-50.50000110.3E273 L274 E275 F281 L673 M675E273-T277 PolarHBondContact O-N 3.07Å; E273-T277 PolarHBondContact O-OG1 2.97Å; L274-T277 CarbonylContact O-C 3.35Å; L274-T277 WeakPolarHBondContact O-CA 3.36Å; L274-T277 VanDerWaalsContact O-CB 3.24Å; L274-T277 WeakPolarHBondContact O-CB 3.41Å; L274-T277 PolarHBondContact O-N 3.17Å; L274-T277 VanDerWaalsContact O-N 3.07Å; E275-T277 PolarHBondContact O-N 3.15Å; T277-F281 WeakPolarHBondContact O-CB 3.33Å; T277-F281 PolarHBondContact O-N 3.31Å; T277-L673 HydrophobicContact CG2-CB 3.76Å; T277-L673 HydrophobicContact CG2-CD2 3.98Å; T277-L673 HydrophobicContact CG2-CG 4.38Å; T277-M675 HydrophobicContact CG2-CE 4.05Å; T277-M675 HydrophobicContact CG2-CG 3.82Å; T277-M675 WeakPolarHBondContact O-CE 3.46Å
278V91.7Very high85.9Confident33 Ų3344.5 Ų44.520%0.222%0.224CC..Hα-helixtrans-73.4-37172.31750000111.9L274 E275 K276 F281 C282 L308 T311 M675L274-V278 WeakPolarHBondContact O-CG2 3.45Å; L274-V278 PolarHBondContact O-N 3.31Å; E275-V278 CarbonylContact O-C 3.57Å; E275-V278 WeakPolarHBondContact O-CA 3.5Å; E275-V278 WeakPolarHBondContact O-CB 3.43Å; E275-V278 PolarHBondContact O-N 3.38Å; K276-V278 VanDerWaalsContact C-N 3.31Å; V278-F281 WeakPolarHBondContact O-CB 3.35Å; V278-F281 PolarHBondContact O-N 2.86Å; V278-C282 WeakPolarHBondContact O-CB 3.27Å; V278-C282 PolarHBondContact O-N 3.03Å; V278-C282 PolarHBondContact O-SG 2.91Å; V278-L308 HydrophobicContact CG2-CD2 4.45Å; V278-T311 HydrophobicContact CG1-CG2 3.91Å; V278-M675 HydrophobicContact CB-CE 4.26Å; V278-M675 HydrophobicContact CG2-CE 3.75Å
279E91.6Very high86.5Confident133 Ų13343.6 Ų43.662%0.62122%0.22SC*.Hα-helixtrans-61-46.3171.4-67.5-178.5146.500111.9E275 K276 C282 H283E275-E279 PolarHBondContact O-N 2.79Å; K276-E279 PolarHBondContact O-N 2.66Å; E279-C282 WeakPolarHBondContact O-CB 3.38Å; E279-C282 PolarHBondContact O-N 2.99Å; E279-H283 WeakPolarHBondContact O-CB 3.38Å; E279-H283 PolarHBondContact O-N 3.02Å
280E92.7Very high87.4Confident29 Ų2941.7 Ų41.714%0.13621%0.214CC..Hα-helixtrans-64.1-41176.4-177.168.2-16000111.5K276 C282 H283 I284 S657 L673K276-E280 WeakPolarHBondContact O-CB 3.37Å; K276-E280 PolarHBondContact O-N 3.19Å; E280-C282 PolarHBondContact O-N 2.9Å; E280-H283 WeakPolarHBondContact O-CB 3.44Å; E280-H283 PolarHBondContact O-N 3.09Å; E280-I284 HydrophobicContact CG-CD1 3.95Å; E280-I284 HydrophobicContact CG-CG1 4.39Å; E280-I284 VanDerWaalsContact O-CG1 3.29Å; E280-I284 WeakPolarHBondContact O-CG1 3.47Å; E280-I284 PolarHBondContact O-N 3.01Å; E280-S657 PolarHBondContact OE1-OG 2.96Å; E280-S657 WeakPolarHBondContact OE2-CB 3.36Å; E280-S657 PolarHBondContact OE2-OG 3.17Å; E280-L673 HydrophobicContact CB-CD1 4.43Å; E280-L673 HydrophobicContact CB-CD2 4.17Å; E280-L673 HydrophobicContact CG-CD1 4.28Å; E280-L673 HydrophobicContact CG-CD2 3.86Å
281F95.2Very high88.5Confident0 Ų043 Ų430%022%0.215CC..Hα-helixtrans-56.6-49.5171.5165-98.4000111.5T277 V278 H283 I284 V285 V297 L308 A312 F568 I609 L673 M675T277-F281 WeakPolarHBondContact O-CB 3.33Å; T277-F281 PolarHBondContact O-N 3.31Å; V278-F281 WeakPolarHBondContact O-CB 3.35Å; V278-F281 PolarHBondContact O-N 2.86Å; F281-H283 VanDerWaalsContact C-N 3.29Å; F281-H283 PolarHBondContact O-N 2.82Å; F281-I284 PolarHBondContact O-N 2.88Å; F281-V285 HydrophobicContact CD2-CG2 4.26Å; F281-V285 HydrophobicContact CE1-CG2 4.3Å; F281-V285 HydrophobicContact CE2-CG2 4Å; F281-V285 HydrophobicContact CZ-CG2 4.01Å; F281-V285 WeakPolarHBondContact O-CB 3.34Å; F281-V285 WeakPolarHBondContact O-CG2 3.48Å; F281-V285 PolarHBondContact O-N 2.83Å; F281-V297 HydrophobicContact CE2-CG1 4.25Å; F281-V297 HydrophobicContact CE2-CG2 3.83Å; F281-V297 HydrophobicContact CZ-CG2 4.45Å; F281-L308 HydrophobicContact CD1-CD2 4.04Å; F281-L308 HydrophobicContact CE1-CB 4.34Å; F281-L308 HydrophobicContact CE1-CD2 3.91Å; F281-L308 HydrophobicContact CZ-CB 4.34Å; F281-L308 HydrophobicContact CZ-CD2 4.35Å; F281-A312 HydrophobicContact CE1-CB 4.08Å; F281-A312 HydrophobicContact CZ-CB 4.37Å; F281-F568 HydrophobicContact CZ-CE1 4.16Å; F281-F568 HydrophobicContact CZ-CZ 4.06Å; F281-I609 HydrophobicContact CD2-CD1 3.87Å; F281-I609 HydrophobicContact CD2-CG2 4.22Å; F281-I609 HydrophobicContact CE2-CD1 4.18Å; F281-L673 HydrophobicContact CB-CD1 3.69Å; F281-M675 HydrophobicContact CB-CE 3.36Å; F281-M675 HydrophobicContact CD1-CE 4.46Å; F281-M675 HydrophobicContact CD2-CE 4.37Å; F281-M675 HydrophobicContact CG-CE 3.86Å
282C95.9Very high89.8Confident20 Ų2041.8 Ų41.814%0.13521%0.21CC..Hα-helixtrans-60.6-40.4177.1-67.60000111.6V278 E279 E280 V285 V286 A315V278-C282 WeakPolarHBondContact O-CB 3.27Å; V278-C282 PolarHBondContact O-N 3.03Å; V278-C282 PolarHBondContact O-SG 2.91Å; E279-C282 WeakPolarHBondContact O-CB 3.38Å; E279-C282 PolarHBondContact O-N 2.99Å; E280-C282 PolarHBondContact O-N 2.9Å; C282-V285 PolarHBondContact O-N 2.8Å; C282-V286 WeakPolarHBondContact O-CG2 3.43Å; C282-V286 PolarHBondContact O-N 2.75Å; C282-A315 HydrophobicContact CB-CB 3.81Å
283H94.7Very high91.1Very high62 Ų6237.4 Ų37.429%0.28719%0.187SC..Hα-helixtrans-60.7-53.7175.4-178.189.9000111.8E279 E280 F281 V285 V286 Q287E279-H283 WeakPolarHBondContact O-CB 3.38Å; E279-H283 PolarHBondContact O-N 3.02Å; E280-H283 WeakPolarHBondContact O-CB 3.44Å; E280-H283 PolarHBondContact O-N 3.09Å; F281-H283 VanDerWaalsContact C-N 3.29Å; F281-H283 PolarHBondContact O-N 2.82Å; H283-V285 VanDerWaalsContact C-N 3.29Å; H283-V285 PolarHBondContact O-N 2.96Å; H283-V286 PolarHBondContact O-N 2.93Å; H283-Q287 VanDerWaalsContact O-CB 3.25Å; H283-Q287 WeakPolarHBondContact O-CB 3.5Å; H283-Q287 VanDerWaalsContact O-CG 3.23Å; H283-Q287 WeakPolarHBondContact O-CG 3.36Å; H283-Q287 PolarHBondContact O-N 2.85Å
284I95.6Very high92.1Very high0 Ų033.5 Ų33.50%017%0.169CC..Hα-helixtrans-58.4-43.4178.2-63.4165.5000110.1E280 F281 T288 L326 I609 Y671 L673E280-I284 HydrophobicContact CG-CD1 3.95Å; E280-I284 HydrophobicContact CG-CG1 4.39Å; E280-I284 VanDerWaalsContact O-CG1 3.29Å; E280-I284 WeakPolarHBondContact O-CG1 3.47Å; E280-I284 PolarHBondContact O-N 3.01Å; F281-I284 PolarHBondContact O-N 2.88Å; I284-T288 VanDerWaalsContact O-CB 3.23Å; I284-T288 WeakPolarHBondContact O-CB 3.42Å; I284-T288 PolarHBondContact O-N 2.84Å; I284-T288 PolarHBondContact O-OG1 2.81Å; I284-L326 HydrophobicContact CG1-CD1 4.1Å; I284-L326 HydrophobicContact CG2-CD2 4.33Å; I284-I609 HydrophobicContact CB-CD1 4Å; I284-I609 HydrophobicContact CG2-CD1 3.62Å; I284-I609 HydrophobicContact CG2-CG1 3.99Å; I284-Y671 HydrophobicContact CD1-CD1 3.73Å; I284-Y671 HydrophobicContact CD1-CD2 4.39Å; I284-Y671 HydrophobicContact CD1-CE1 4.28Å; I284-Y671 HydrophobicContact CD1-CG 3.81Å; I284-Y671 HydrophobicContact CG1-CD1 4.47Å; I284-Y671 HydrophobicContact CG2-CD2 4.12Å; I284-Y671 HydrophobicContact CG2-CE2 4.14Å; I284-L673 HydrophobicContact CD1-CD1 4.01Å
285V97Very high92.7Very high0 Ų032.1 Ų32.10%016%0.162CC..Hα-helixtrans-58.4-59.4177.9168.40000111.1F281 C282 H283 Q287 T288 L289 V295 K316 L566 I609F281-V285 HydrophobicContact CD2-CG2 4.26Å; F281-V285 HydrophobicContact CE1-CG2 4.3Å; F281-V285 HydrophobicContact CE2-CG2 4Å; F281-V285 HydrophobicContact CZ-CG2 4.01Å; F281-V285 WeakPolarHBondContact O-CB 3.34Å; F281-V285 WeakPolarHBondContact O-CG2 3.48Å; F281-V285 PolarHBondContact O-N 2.83Å; C282-V285 PolarHBondContact O-N 2.8Å; H283-V285 VanDerWaalsContact C-N 3.29Å; H283-V285 PolarHBondContact O-N 2.96Å; V285-Q287 PolarHBondContact O-N 2.7Å; V285-T288 PolarHBondContact O-N 3.1Å; V285-L289 HydrophobicContact CG1-CD1 4.01Å; V285-L289 VanDerWaalsContact O-CG 3.28Å; V285-L289 WeakPolarHBondContact O-CG 3.24Å; V285-L289 PolarHBondContact O-N 3.12Å; V285-L289 VanDerWaalsContact O-N 3.17Å; V285-V295 HydrophobicContact CG2-CG1 4.21Å; V285-K316 HydrophobicContact CG1-CG 4.47Å; V285-L566 HydrophobicContact CG1-CD2 4.12Å; V285-L566 HydrophobicContact CG2-CD1 4.32Å; V285-I609 HydrophobicContact CG2-CD1 4Å
286V96.6Very high93.3Very high13 Ų1324.6 Ų24.68%0.07913%0.127CC..Hα-helixtrans-68.3-36.2-174.5-57.80000112.2C282 H283 A290 A315 F319 V413C282-V286 WeakPolarHBondContact O-CG2 3.43Å; C282-V286 PolarHBondContact O-N 2.75Å; H283-V286 PolarHBondContact O-N 2.93Å; V286-A290 VanDerWaalsContact O-CB 3.24Å; V286-A290 WeakPolarHBondContact O-CB 3.4Å; V286-A290 PolarHBondContact O-N 3.45Å; V286-A315 HydrophobicContact CG1-CB 3.94Å; V286-A315 WeakPolarHBondContact CG1-O 3.44Å; V286-F319 HydrophobicContact CB-CB 4.27Å; V286-F319 HydrophobicContact CB-CD2 3.76Å; V286-F319 HydrophobicContact CB-CE2 4.26Å; V286-F319 HydrophobicContact CB-CG 3.98Å; V286-F319 HydrophobicContact CG1-CB 4.25Å; V286-F319 HydrophobicContact CG1-CD2 4.49Å; V286-F319 HydrophobicContact CG1-CG 4.5Å; V286-F319 HydrophobicContact CG2-CD2 3.55Å; V286-F319 HydrophobicContact CG2-CE2 3.84Å; V286-F319 HydrophobicContact CG2-CG 4.29Å; V286-V413 HydrophobicContact CB-CG1 4.1Å; V286-V413 HydrophobicContact CG1-CG1 4.12Å
287Q95.2Very high93.8Very high5 Ų519.4 Ų19.42%0.02310%0.104CC..Hα-helixtrans-68.2-43.5177.6-69.3-60.3-25.100111.9H283 V285 L289 A290 H291 T322 L326H283-Q287 VanDerWaalsContact O-CB 3.25Å; H283-Q287 WeakPolarHBondContact O-CB 3.5Å; H283-Q287 VanDerWaalsContact O-CG 3.23Å; H283-Q287 WeakPolarHBondContact O-CG 3.36Å; H283-Q287 PolarHBondContact O-N 2.85Å; V285-Q287 PolarHBondContact O-N 2.7Å; Q287-L289 PolarHBondContact O-N 2.89Å; Q287-A290 PolarHBondContact O-N 3.14Å; Q287-H291 PolarHBondContact O-N 3.41Å; Q287-H291 PolarHBondContact O-ND1 2.98Å; Q287-T322 PolarHBondContact NE2-O 3.35Å; Q287-L326 HydrophobicContact CB-CB 4.3Å; Q287-L326 HydrophobicContact CB-CD2 3.95Å
288T94.8Very high94.1Very high0 Ų018.8 Ų18.80%010%0.1CC..Hα-helixtrans-61.1-47.4178.5-56.20000111I284 V285 A290 H291 G292 G293 N294 V295 L326 F327 S607I284-T288 VanDerWaalsContact O-CB 3.23Å; I284-T288 WeakPolarHBondContact O-CB 3.42Å; I284-T288 PolarHBondContact O-N 2.84Å; I284-T288 PolarHBondContact O-OG1 2.81Å; V285-T288 PolarHBondContact O-N 3.1Å; T288-A290 VanDerWaalsContact C-N 3.3Å; T288-A290 PolarHBondContact O-N 3.24Å; T288-H291 PolarHBondContact O-N 3.15Å; T288-G292 PolarHBondContact O-N 3.26Å; T288-G293 PolarHBondContact O-N 3.46Å; T288-N294 WeakPolarHBondContact CG2-O 3.46Å; T288-V295 HydrophobicContact CG2-CG2 3.62Å; T288-L326 WeakPolarHBondContact OG1-CD2 3.01Å; T288-F327 HydrophobicContact CG2-CZ 4.31Å; T288-S607 WeakPolarHBondContact OG1-CB 3.47Å; T288-S607 PolarHBondContact OG1-OG 3.11Å
289L94Very high94.2Very high0 Ų017.2 Ų17.20%09%0.091CC..Hα-helixtrans-62-36.8176.5-64.3173.4000111.9V285 Q287 H291 G292 V295 K316 V413 P564V285-L289 HydrophobicContact CG1-CD1 4.01Å; V285-L289 VanDerWaalsContact O-CG 3.28Å; V285-L289 WeakPolarHBondContact O-CG 3.24Å; V285-L289 PolarHBondContact O-N 3.12Å; V285-L289 VanDerWaalsContact O-N 3.17Å; Q287-L289 PolarHBondContact O-N 2.89Å; L289-H291 VanDerWaalsContact C-N 3.34Å; L289-H291 PolarHBondContact O-N 3.44Å; L289-G292 PolarHBondContact O-N 3.11Å; L289-V295 HydrophobicContact CD2-CG2 4.36Å; L289-V295 HydrophobicContact CG-CG2 4.27Å; L289-K316 HydrophobicContact CD1-CD 4Å; L289-K316 HydrophobicContact CD1-CG 3.98Å; L289-V413 HydrophobicContact CB-CB 4.5Å; L289-V413 HydrophobicContact CB-CG1 4.39Å; L289-V413 HydrophobicContact CB-CG2 3.88Å; L289-V413 HydrophobicContact CD1-CG1 4.34Å; L289-P564 HydrophobicContact CD2-CB 3.9Å
290A93.6Very high94.2Very high7 Ų712.1 Ų12.16%0.0587%0.068CC..Hα-helixtrans-69.1-28.3177.100000113.6V286 Q287 T288 G292 F319 I323 V413V286-A290 VanDerWaalsContact O-CB 3.24Å; V286-A290 WeakPolarHBondContact O-CB 3.4Å; V286-A290 PolarHBondContact O-N 3.45Å; Q287-A290 PolarHBondContact O-N 3.14Å; T288-A290 VanDerWaalsContact C-N 3.3Å; T288-A290 PolarHBondContact O-N 3.24Å; A290-G292 PolarHBondContact O-N 2.91Å; A290-F319 HydrophobicContact CB-CE1 3.66Å; A290-F319 HydrophobicContact CB-CZ 3.84Å; A290-I323 HydrophobicContact CB-CD1 4.38Å; A290-I323 HydrophobicContact CB-CG1 4.07Å; A290-V413 HydrophobicContact CB-CG2 3.74Å
291H90.9Very high94.2Very high55 Ų5510.8 Ų10.826%0.2556%0.062SC..THydrogen-bonded Turntrans-79.61.2169.5-69.381.4000112.9Q287 T288 L289 G293 I323 L324 N330Q287-H291 PolarHBondContact O-N 3.41Å; Q287-H291 PolarHBondContact O-ND1 2.98Å; T288-H291 PolarHBondContact O-N 3.15Å; L289-H291 VanDerWaalsContact C-N 3.34Å; L289-H291 PolarHBondContact O-N 3.44Å; H291-G293 VanDerWaalsContact C-N 3.28Å; H291-G293 PolarHBondContact O-N 2.86Å; H291-I323 WeakPolarHBondContact CE1-CG2 3.42Å; H291-L324 PolarHBondContact CE1-O 3.43Å; H291-L324 VanDerWaalsContact CE1-O 3.28Å; H291-N330 PolarHBondContact CD2-ND2 2.67Å; H291-N330 PolarHBondContact NE2-ND2 3.12Å
292G88.7Confident94Very high23 Ų2311.6 Ų11.624%0.2377%0.068CC..THydrogen-bonded Turntrans77.78.4-176.500000114.6T288 L289 A290 S604T288-G292 PolarHBondContact O-N 3.26Å; L289-G292 PolarHBondContact O-N 3.11Å; A290-G292 PolarHBondContact O-N 2.91Å; G292-S604 VanDerWaalsContact O-CB 3.24Å; G292-S604 WeakPolarHBondContact O-CB 3.46Å
293G89.9Confident93.8Very high0 Ų011.9 Ų11.90%07%0.073CC..  trans-83.3159.7175.100000112.9T288 H291 P564 H605T288-G293 PolarHBondContact O-N 3.46Å; H291-G293 VanDerWaalsContact C-N 3.28Å; H291-G293 PolarHBondContact O-N 2.86Å; G293-P564 WeakPolarHBondContact O-CB 3.17Å; G293-H605 WeakPolarHBondContact CA-O 3.35Å
294N93.1Very high93.5Very high13 Ų1310.8 Ų10.87%0.077%0.069CC..  trans-92.2155.4172.9-55.1-79.1000110.9T288 C565 L586 N606 S607T288-N294 WeakPolarHBondContact CG2-O 3.46Å; N294-C565 WeakPolarHBondContact CA-O 3.21Å; N294-C565 PolarHBondContact OD1-N 2.64Å; N294-C565 PolarHBondContact OD1-SG 3.44Å; N294-L586 HydrophobicContact CB-CD2 3.81Å; N294-N606 WeakPolarHBondContact CB-OD1 3.29Å; N294-N606 PolarHBondContact N-OD1 3.5Å; N294-N606 PolarHBondContact ND2-OD1 2.82Å; N294-N606 VanDerWaalsContact ND2-OD1 3.11Å; N294-N606 WeakPolarHBondContact O-CA 3.22Å; N294-N606 WeakPolarHBondContact O-CB 3.3Å; N294-S607 PolarHBondContact O-N 3.23Å
295V96.4Very high93.4Very high1 Ų110.9 Ų10.91%0.0067%0.07CC..EExtended strand (participates in β ladder)trans-118.7124.6176.3-174.40000109.4V285 T288 L289 V297 C565 L566 I567 S607 I609V285-V295 HydrophobicContact CG2-CG1 4.21Å; T288-V295 HydrophobicContact CG2-CG2 3.62Å; L289-V295 HydrophobicContact CD2-CG2 4.36Å; L289-V295 HydrophobicContact CG-CG2 4.27Å; V295-V297 HydrophobicContact CG1-CG2 4.1Å; V295-C565 PolarHBondContact N-O 2.86Å; V295-L566 HydrophobicContact CB-CD1 3.69Å; V295-L566 HydrophobicContact CG1-CD1 3.63Å; V295-L566 CarbonylContact O-C 3.5Å; V295-L566 WeakPolarHBondContact O-CA 3.31Å; V295-I567 PolarHBondContact O-N 2.99Å; V295-S607 CarbonylContact C-O 3.57Å; V295-S607 WeakPolarHBondContact CA-O 3.11Å; V295-I609 HydrophobicContact CG1-CD1 3.8Å; V295-I609 HydrophobicContact CG1-CG1 4.14Å
296L96.4Very high93.3Very high0 Ų011 Ų110%07%0.07CC..EExtended strand (participates in β ladder)trans-105.4130.3168.4175.464.7000109.5P298 I567 A569 L582 L586 S607 I608 I609L296-P298 HydrophobicContact CD2-CG 4.43Å; L296-P298 HydrophobicContact CG-CG 4.18Å; L296-I567 CarbonylContact C-O 3.59Å; L296-I567 WeakPolarHBondContact CA-O 3.16Å; L296-I567 HydrophobicContact CD1-CB 4.29Å; L296-I567 HydrophobicContact CD1-CG2 4.21Å; L296-A569 HydrophobicContact CD1-CB 4.01Å; L296-L582 HydrophobicContact CD1-CB 3.97Å; L296-L582 HydrophobicContact CD1-CD1 3.81Å; L296-L582 HydrophobicContact CD2-CB 3.69Å; L296-L582 HydrophobicContact CG-CB 4.46Å; L296-L586 HydrophobicContact CB-CD1 3.54Å; L296-L586 HydrophobicContact CD2-CD1 4.13Å; L296-L586 HydrophobicContact CG-CD1 4.45Å; L296-S607 PolarHBondContact N-O 3.49Å; L296-I608 HydrophobicContact CB-CG1 4.3Å; L296-I608 HydrophobicContact CB-CG2 4.41Å; L296-I608 HydrophobicContact CD2-CD1 4.49Å; L296-I608 HydrophobicContact CD2-CG1 4.45Å; L296-I608 HydrophobicContact CD2-CG2 4.16Å; L296-I608 HydrophobicContact CG-CG2 4.36Å; L296-I608 CarbonylContact O-C 3.43Å; L296-I608 WeakPolarHBondContact O-CA 3.38Å; L296-I609 PolarHBondContact O-N 3.49Å
297V97Very high93.1Very high0 Ų012 Ų120%08%0.075CC..EExtended strand (participates in β ladder)trans-121.398172.4-172.30000107.1F281 V295 S299 L566 I567 F568 A569 I609 I611F281-V297 HydrophobicContact CE2-CG1 4.25Å; F281-V297 HydrophobicContact CE2-CG2 3.83Å; F281-V297 HydrophobicContact CZ-CG2 4.45Å; V295-V297 HydrophobicContact CG1-CG2 4.1Å; V297-S299 PolarHBondContact O-N 3.15Å; V297-L566 HydrophobicContact CG2-CD1 3.8Å; V297-I567 PolarHBondContact N-O 3.49Å; V297-F568 HydrophobicContact CB-CD1 3.57Å; V297-F568 HydrophobicContact CB-CE1 3.79Å; V297-F568 HydrophobicContact CB-CG 4.39Å; V297-F568 HydrophobicContact CG1-CD1 3.75Å; V297-F568 HydrophobicContact CG1-CE1 3.77Å; V297-F568 HydrophobicContact CG2-CD1 4.19Å; V297-F568 HydrophobicContact CG2-CE1 3.97Å; V297-F568 WeakPolarHBondContact O-CA 3.34Å; V297-A569 PolarHBondContact O-N 2.87Å; V297-A569 VanDerWaalsContact O-N 3.16Å; V297-I609 HydrophobicContact CG2-CB 4.47Å; V297-I611 HydrophobicContact CG1-CD1 3.87Å; V297-I611 HydrophobicContact CG1-CG1 3.99Å; V297-I611 HydrophobicContact CG1-CG2 4.04Å
298P95.2Very high93.1Very high0 Ų011.8 Ų11.80%08%0.075CC..EExtended strand (participates in β ladder)trans-64.7124.6168.9-18.934.9000108.6L296 A569 H571 L574 I608 I609 L610 I611L296-P298 HydrophobicContact CD2-CG 4.43Å; L296-P298 HydrophobicContact CG-CG 4.18Å; P298-A569 WeakPolarHBondContact CA-O 3.23Å; P298-H571 VanDerWaalsContact CA-CD2 3.47Å; P298-H571 WeakPolarHBondContact CA-CD2 3.46Å; P298-H571 WeakPolarHBondContact CB-CD2 3.15Å; P298-H571 PolarHBondContact O-NE2 3.43Å; P298-L574 HydrophobicContact CB-CD1 4.05Å; P298-L574 HydrophobicContact CG-CD1 3.87Å; P298-I608 HydrophobicContact CG-CG2 4.23Å; P298-I609 VanDerWaalsContact CD-O 3.27Å; P298-I609 WeakPolarHBondContact CD-O 3.12Å; P298-L610 HydrophobicContact CG-CD2 4.11Å; P298-I611 WeakPolarHBondContact O-CG1 3.43Å
299S93.3Very high93.1Very high0 Ų011.8 Ų11.80%08%0.075CC..  trans-151.8144.9-174.561.50000112.6V297 A569 S570 H571V297-S299 PolarHBondContact O-N 3.15Å; S299-A569 PolarHBondContact N-O 3.06Å; S299-S570 WeakPolarHBondContact O-CA 3.45Å; S299-H571 PolarHBondContact N-CD2 3.29Å; S299-H571 PolarHBondContact N-NE2 3.47Å
300N91.3Very high93Very high26 Ų2614 Ų1414%0.1399%0.085CC..  trans-57.6150.9164.5-82.4-77.1000111.6L135 S302 E612 D615L135-N300 HydrophobicContact CD2-CB 4.18Å; N300-S302 PolarHBondContact O-N 2.54Å; N300-S302 VanDerWaalsContact O-N 3.12Å; N300-E612 VanDerWaalsContact CB-OE1 3.24Å; N300-E612 WeakPolarHBondContact CB-OE1 3.44Å; N300-E612 PolarHBondContact N-OE1 3.49Å; N300-E612 PolarHBondContact N-OE2 2.85Å; N300-E612 PolarHBondContact ND2-OE1 3Å; N300-E612 PolarHBondContact ND2-OE2 3.38Å; N300-D615 PolarHBondContact ND2-OD2 3.2Å
301P92.8Very high93.1Very high2 Ų215.7 Ų15.71%0.01310%0.095CC..SBendtrans-72.2-1.8-175.329-36.8000115.4I134 L135 D138 S422 S428I134-P301 HydrophobicContact CG2-CB 4.22Å; I134-P301 HydrophobicContact CG2-CG 3.79Å; L135-P301 HydrophobicContact CD2-CG 4.03Å; D138-P301 HydrophobicContact CB-CG 4.27Å; P301-S422 WeakPolarHBondContact CB-OG 3.24Å; P301-S428 VanDerWaalsContact O-CB 3.27Å; P301-S428 WeakPolarHBondContact O-CB 3.36Å; P301-S428 PolarHBondContact O-OG 2.89Å
302S91.8Very high93.3Very high17 Ų1713.1 Ų13.112%0.1198%0.082CC..SBendtrans-153.3147-177.959.70000112.4N300N300-S302 PolarHBondContact O-N 2.54Å; N300-S302 VanDerWaalsContact O-N 3.12Å
303G90.8Very high93.6Very high25 Ų2512.5 Ų12.526%0.2587%0.074SC..SBendtrans117.7-136.1-178.900000111.8I305 F306G303-I305 PolarHBondContact O-N 2.97Å; G303-F306 WeakPolarHBondContact O-CD2 3.33Å; G303-F306 WeakPolarHBondContact O-CG 3.44Å; G303-F306 PolarHBondContact O-N 2.95Å
304I89.6Confident93.7Very high39 Ų3918.4 Ų18.420%0.210%0.101CC..THydrogen-bonded Turntrans-55.4-19.1-179.6-166.3164.4000114.3F306 D307 L308 M675 A677I304-F306 PolarHBondContact O-N 3.01Å; I304-F306 VanDerWaalsContact O-N 3.15Å; I304-D307 PolarHBondContact O-N 3.09Å; I304-D307 VanDerWaalsContact O-N 3.13Å; I304-L308 HydrophobicContact CG1-CD1 4.41Å; I304-L308 HydrophobicContact CG1-CG 4.29Å; I304-L308 HydrophobicContact CG2-CD1 4.4Å; I304-L308 WeakPolarHBondContact O-CG 3.45Å; I304-L308 PolarHBondContact O-N 3.38Å; I304-M675 HydrophobicContact CD1-CB 4.44Å; I304-A677 HydrophobicContact CD1-CB 4.5Å
305I93Very high93.8Very high3 Ų318.7 Ų18.72%0.01511%0.106CC..Hα-helixtrans-50.7-31.8168.7-177.156.2000113.1G303 L309 F420 F568G303-I305 PolarHBondContact O-N 2.97Å; I305-L309 HydrophobicContact CD1-CD1 4.27Å; I305-L309 HydrophobicContact CD1-CG 4.08Å; I305-L309 HydrophobicContact CG1-CD1 4.05Å; I305-L309 HydrophobicContact CG1-CG 4.38Å; I305-L309 WeakPolarHBondContact O-CB 3.25Å; I305-L309 WeakPolarHBondContact O-CD1 3.41Å; I305-L309 VanDerWaalsContact O-CG 3.24Å; I305-L309 WeakPolarHBondContact O-CG 3.32Å; I305-L309 PolarHBondContact O-N 2.89Å; I305-F420 HydrophobicContact CD1-CZ 4.49Å; I305-F420 HydrophobicContact CG1-CE1 4.09Å; I305-F420 HydrophobicContact CG1-CE2 4.17Å; I305-F420 HydrophobicContact CG1-CZ 3.67Å; I305-F568 HydrophobicContact CD1-CB 3.92Å; I305-F568 HydrophobicContact CD1-CD1 3.14Å; I305-F568 HydrophobicContact CD1-CD2 4.35Å; I305-F568 HydrophobicContact CD1-CE1 3.6Å; I305-F568 HydrophobicContact CD1-CG 3.56Å; I305-F568 HydrophobicContact CD1-CZ 4.36Å
306F94.9Very high93.8Very high1 Ų118.9 Ų18.90%0.00411%0.106CC..Hα-helixtrans-68.7-43.3178.3-56.1-42.6000112F131 I220 H246 G303 I304 E310 S428 L429 F454 F456F131-F306 HydrophobicContact CE1-CE2 4.21Å; F131-F306 HydrophobicContact CE1-CZ 4.01Å; F131-F306 HydrophobicContact CZ-CE2 4.33Å; F131-F306 HydrophobicContact CZ-CZ 4.47Å; I220-F306 HydrophobicContact CD1-CD2 4.24Å; I220-F306 HydrophobicContact CD1-CE2 4Å; H246-F306 AromaticContact NE2-CD2 3.69Å; G303-F306 WeakPolarHBondContact O-CD2 3.33Å; G303-F306 WeakPolarHBondContact O-CG 3.44Å; G303-F306 PolarHBondContact O-N 2.95Å; I304-F306 PolarHBondContact O-N 3.01Å; I304-F306 VanDerWaalsContact O-N 3.15Å; F306-E310 PolarHBondContact O-N 3.41Å; F306-S428 WeakPolarHBondContact CZ-OG 3.35Å; F306-L429 HydrophobicContact CE1-CD2 4.41Å; F306-F454 HydrophobicContact CB-CD1 4.39Å; F306-F454 HydrophobicContact CB-CE1 3.77Å; F306-F454 HydrophobicContact CB-CZ 4.2Å; F306-F456 HydrophobicContact CB-CE2 4.32Å; F306-F456 HydrophobicContact CB-CZ 3.97Å; F306-F456 AromaticContact CD1-CE2 3.72Å; F306-F456 HydrophobicContact CD1-CE2 3.72Å; F306-F456 AromaticContact CD1-CZ 3.98Å; F306-F456 HydrophobicContact CD1-CZ 3.98Å; F306-F456 HydrophobicContact CE1-CE2 4.43Å; F306-F456 HydrophobicContact CG-CE2 4.26Å; F306-F456 HydrophobicContact CG-CZ 4.35Å
307D93Very high93.5Very high34 Ų3422.4 Ų22.418%0.18213%0.125CC..Hα-helixtrans-67.4-42.4174.3-45.2-82000110.8H246 I304 L309 E310 T311H246-D307 IonicContact CE1-OD1 3.83Å; H246-D307 IonicContact CE1-OD2 3.42Å; H246-D307 PolarHBondContact CE1-OD2 3.31Å; H246-D307 IonicContact CG-OD1 3.82Å; H246-D307 PolarHBondContact N-OD1 3.46Å; H246-D307 VanDerWaalsContact N-OD1 3.12Å; H246-D307 IonicContact ND1-OD1 2.71Å; H246-D307 PolarHBondContact ND1-OD1 2.81Å; H246-D307 IonicContact ND1-OD2 3.04Å; H246-D307 PolarHBondContact ND1-OD2 2.81Å; I304-D307 PolarHBondContact O-N 3.09Å; I304-D307 VanDerWaalsContact O-N 3.13Å; D307-L309 VanDerWaalsContact C-N 3.33Å; D307-L309 PolarHBondContact O-N 3.49Å; D307-E310 PolarHBondContact O-N 2.73Å; D307-T311 WeakPolarHBondContact O-CB 3.48Å; D307-T311 PolarHBondContact O-N 3.38Å; D307-T311 PolarHBondContact O-OG1 3.11Å
308L94.3Very high93.4Very high2 Ų227.9 Ų27.91%0.0116%0.155CC..Hα-helixtrans-66.1-33.3-179.8-67175.3000112.6V278 F281 I304 A312 F568 I611 M675V278-L308 HydrophobicContact CG2-CD2 4.45Å; F281-L308 HydrophobicContact CD1-CD2 4.04Å; F281-L308 HydrophobicContact CE1-CB 4.34Å; F281-L308 HydrophobicContact CE1-CD2 3.91Å; F281-L308 HydrophobicContact CZ-CB 4.34Å; F281-L308 HydrophobicContact CZ-CD2 4.35Å; I304-L308 HydrophobicContact CG1-CD1 4.41Å; I304-L308 HydrophobicContact CG1-CG 4.29Å; I304-L308 HydrophobicContact CG2-CD1 4.4Å; I304-L308 WeakPolarHBondContact O-CG 3.45Å; I304-L308 PolarHBondContact O-N 3.38Å; L308-A312 WeakPolarHBondContact O-CB 3.5Å; L308-A312 PolarHBondContact O-N 2.89Å; L308-F568 HydrophobicContact CB-CE1 4.38Å; L308-I611 HydrophobicContact CD1-CD1 3.61Å; L308-M675 HydrophobicContact CD1-SD 3.95Å; L308-M675 HydrophobicContact CD2-CE 4.12Å; L308-M675 HydrophobicContact CD2-SD 3.74Å; L308-M675 HydrophobicContact CG-SD 4.5Å
309L94.9Very high93.3Very high0 Ų029 Ų290%016%0.159CC..Hα-helixtrans-63.7-51.9172.8-83.1164.9000111.5I305 D307 I313 I418 F420 L429 F456 L465 F568I305-L309 HydrophobicContact CD1-CD1 4.27Å; I305-L309 HydrophobicContact CD1-CG 4.08Å; I305-L309 HydrophobicContact CG1-CD1 4.05Å; I305-L309 HydrophobicContact CG1-CG 4.38Å; I305-L309 WeakPolarHBondContact O-CB 3.25Å; I305-L309 WeakPolarHBondContact O-CD1 3.41Å; I305-L309 VanDerWaalsContact O-CG 3.24Å; I305-L309 WeakPolarHBondContact O-CG 3.32Å; I305-L309 PolarHBondContact O-N 2.89Å; D307-L309 VanDerWaalsContact C-N 3.33Å; D307-L309 PolarHBondContact O-N 3.49Å; L309-I313 WeakPolarHBondContact O-CD1 3.41Å; L309-I313 VanDerWaalsContact O-CG1 3.23Å; L309-I313 WeakPolarHBondContact O-CG1 3.26Å; L309-I313 PolarHBondContact O-N 3.46Å; L309-I313 VanDerWaalsContact O-N 3.13Å; L309-I418 HydrophobicContact CD2-CG2 4.12Å; L309-F420 HydrophobicContact CD1-CD1 3.94Å; L309-F420 HydrophobicContact CD1-CE1 3.97Å; L309-L429 HydrophobicContact CD1-CD2 4.35Å; L309-F456 HydrophobicContact CB-CE1 3.96Å; L309-F456 HydrophobicContact CB-CZ 4.49Å; L309-F456 HydrophobicContact CD1-CE1 4.19Å; L309-F456 HydrophobicContact CD1-CZ 4.35Å; L309-L465 HydrophobicContact CD2-CD1 4.14Å; L309-F568 HydrophobicContact CD2-CD2 3.61Å; L309-F568 HydrophobicContact CD2-CE2 3.54Å; L309-F568 HydrophobicContact CD2-CG 4.46Å; L309-F568 HydrophobicContact CD2-CZ 4.34Å; L309-F568 HydrophobicContact CG-CD2 4.39Å; L309-F568 HydrophobicContact CG-CE2 4.21Å
310E93.1Very high93.2Very high46 Ų4634.4 Ų34.422%0.21519%0.188CC..Hα-helixtrans-64.6-43.2179-68.2-169.7156.700111.4F306 D307 I313 Q314 K443 F454 F456F306-E310 PolarHBondContact O-N 3.41Å; D307-E310 PolarHBondContact O-N 2.73Å; E310-I313 PolarHBondContact O-N 2.75Å; E310-Q314 WeakPolarHBondContact O-CB 3.4Å; E310-Q314 PolarHBondContact O-N 3.07Å; E310-K443 IonicContact OE1-NZ 3.36Å; E310-K443 PolarHBondContact OE1-NZ 3.26Å; E310-K443 IonicContact OE2-NZ 3.06Å; E310-K443 PolarHBondContact OE2-NZ 2.88Å; E310-F454 WeakPolarHBondContact OE1-CD1 3.46Å; E310-F456 HydrophobicContact CG-CE1 4Å
311T94.5Very high93Very high43 Ų4333.3 Ų33.326%0.26418%0.184SC..Hα-helixtrans-65.8-41.7179.6-45.70000111.9V278 D307 I313 Q314 A315V278-T311 HydrophobicContact CG1-CG2 3.91Å; D307-T311 WeakPolarHBondContact O-CB 3.48Å; D307-T311 PolarHBondContact O-N 3.38Å; D307-T311 PolarHBondContact O-OG1 3.11Å; T311-I313 VanDerWaalsContact C-N 3.32Å; T311-I313 PolarHBondContact O-N 3.09Å; T311-Q314 PolarHBondContact O-N 2.84Å; T311-A315 WeakPolarHBondContact O-CB 3.45Å; T311-A315 PolarHBondContact O-N 3.45Å
312A95.9Very high92.9Very high0 Ų036.3 Ų36.30%020%0.202CC..Hα-helixtrans-65-34.7175.900000112.5F281 L308 K316 L566 F568F281-A312 HydrophobicContact CE1-CB 4.08Å; F281-A312 HydrophobicContact CZ-CB 4.37Å; L308-A312 WeakPolarHBondContact O-CB 3.5Å; L308-A312 PolarHBondContact O-N 2.89Å; A312-K316 WeakPolarHBondContact O-CB 3.22Å; A312-K316 WeakPolarHBondContact O-CD 3.38Å; A312-K316 VanDerWaalsContact O-CG 3.23Å; A312-K316 WeakPolarHBondContact O-CG 3.27Å; A312-K316 PolarHBondContact O-N 3.47Å; A312-L566 HydrophobicContact CB-CD2 3.74Å; A312-F568 HydrophobicContact CB-CZ 4.46Å
313I93.9Very high92.7Very high11 Ų1139 Ų396%0.05621%0.214CC..Hα-helixtrans-66.6-48.7174-70.4165.2000110.3L309 E310 T311 A315 K316 D317 I418 L459L309-I313 WeakPolarHBondContact O-CD1 3.41Å; L309-I313 VanDerWaalsContact O-CG1 3.23Å; L309-I313 WeakPolarHBondContact O-CG1 3.26Å; L309-I313 PolarHBondContact O-N 3.46Å; L309-I313 VanDerWaalsContact O-N 3.13Å; E310-I313 PolarHBondContact O-N 2.75Å; T311-I313 VanDerWaalsContact C-N 3.32Å; T311-I313 PolarHBondContact O-N 3.09Å; I313-A315 VanDerWaalsContact C-N 3.3Å; I313-A315 PolarHBondContact O-N 3.27Å; I313-K316 PolarHBondContact O-N 3.06Å; I313-D317 PolarHBondContact O-N 3.48Å; I313-I418 HydrophobicContact CD1-CD1 4.01Å; I313-I418 HydrophobicContact CG1-CD1 3.29Å; I313-L459 HydrophobicContact CD1-CD1 3.37Å; I313-L459 HydrophobicContact CD1-CD2 3.97Å; I313-L459 HydrophobicContact CD1-CG 4.28Å; I313-L459 HydrophobicContact CG2-CD2 4.48Å
314Q93.4Very high92.5Very high123 Ų12341.3 Ų41.358%0.57522%0.22SC*.Hα-helixtrans-60.2-39.6177.2-175.1175.4-0.900111.8E310 T311 N318E310-Q314 WeakPolarHBondContact O-CB 3.4Å; E310-Q314 PolarHBondContact O-N 3.07Å; T311-Q314 PolarHBondContact O-N 2.84Å; Q314-N318 VanDerWaalsContact CG-ND2 3.34Å; Q314-N318 WeakPolarHBondContact CG-ND2 3.27Å; Q314-N318 VanDerWaalsContact O-CB 3.26Å; Q314-N318 WeakPolarHBondContact O-CB 3.22Å; Q314-N318 PolarHBondContact O-N 3.06Å; Q314-N318 PolarHBondContact O-ND2 3.02Å
315A95.3Very high92.1Very high20 Ų2042.3 Ų42.317%0.16523%0.229CC..Hα-helixtrans-64.8-44174.800000112.1C282 V286 T311 I313 F319C282-A315 HydrophobicContact CB-CB 3.81Å; V286-A315 HydrophobicContact CG1-CB 3.94Å; V286-A315 WeakPolarHBondContact CG1-O 3.44Å; T311-A315 WeakPolarHBondContact O-CB 3.45Å; T311-A315 PolarHBondContact O-N 3.45Å; I313-A315 VanDerWaalsContact C-N 3.3Å; I313-A315 PolarHBondContact O-N 3.27Å; A315-F319 PolarHBondContact O-N 3.16Å; A315-F319 VanDerWaalsContact O-N 3.15Å
316K94.7Very high91.6Very high4 Ų443.2 Ų43.22%0.01723%0.234CC..Hα-helixtrans-64.3-43.5177.7-75162.180.9-62.10112.8V285 L289 A312 I313 F319 V413 A414 S416 I418 L566V285-K316 HydrophobicContact CG1-CG 4.47Å; L289-K316 HydrophobicContact CD1-CD 4Å; L289-K316 HydrophobicContact CD1-CG 3.98Å; A312-K316 WeakPolarHBondContact O-CB 3.22Å; A312-K316 WeakPolarHBondContact O-CD 3.38Å; A312-K316 VanDerWaalsContact O-CG 3.23Å; A312-K316 WeakPolarHBondContact O-CG 3.27Å; A312-K316 PolarHBondContact O-N 3.47Å; I313-K316 PolarHBondContact O-N 3.06Å; K316-F319 PolarHBondContact O-N 3.46Å; K316-V413 HydrophobicContact CB-CG1 4.05Å; K316-V413 WeakPolarHBondContact CE-O 3.06Å; K316-V413 HydrophobicContact CG-CG1 3.91Å; K316-V413 PolarHBondContact NZ-O 2.97Å; K316-A414 PolarHBondContact NZ-O 3.19Å; K316-S416 WeakPolarHBondContact CE-O 3.24Å; K316-S416 PolarHBondContact NZ-O 2.92Å; K316-I418 HydrophobicContact CD-CD1 4.1Å; K316-I418 HydrophobicContact CD-CG1 4.37Å; K316-L566 HydrophobicContact CD-CD2 4.49Å
317D91.7Very high90.8Very high75 Ų7543.3 Ų43.340%0.40123%0.234SC..Hα-helixtrans-73.6-28-178.2-74.2-12.2000112.2I313 K464I313-D317 PolarHBondContact O-N 3.48Å; D317-K464 IonicContact OD1-NZ 2.67Å; D317-K464 PolarHBondContact OD1-NZ 2.77Å; D317-K464 IonicContact OD2-NZ 3.12Å; D317-K464 PolarHBondContact OD2-NZ 3.47Å
318N93.5Very high89.4Confident115 Ų11546.5 Ų46.562%0.61525%0.25SC*.THydrogen-bonded Turntrans-91.11.4175.7-69-47.5000114.6Q314 N320Q314-N318 VanDerWaalsContact CG-ND2 3.34Å; Q314-N318 WeakPolarHBondContact CG-ND2 3.27Å; Q314-N318 VanDerWaalsContact O-CB 3.26Å; Q314-N318 WeakPolarHBondContact O-CB 3.22Å; Q314-N318 PolarHBondContact O-N 3.06Å; Q314-N318 PolarHBondContact O-ND2 3.02Å; N318-N320 PolarHBondContact O-N 3.02Å; N318-N320 VanDerWaalsContact O-N 3.12Å
319F94.4Very high88Confident22 Ų2252 Ų5210%0.09628%0.275CS..  trans-68.5112.6-174.3178.7-116.7000112.5V286 A290 A315 K316 G321 T322 S410 V413V286-F319 HydrophobicContact CB-CB 4.27Å; V286-F319 HydrophobicContact CB-CD2 3.76Å; V286-F319 HydrophobicContact CB-CE2 4.26Å; V286-F319 HydrophobicContact CB-CG 3.98Å; V286-F319 HydrophobicContact CG1-CB 4.25Å; V286-F319 HydrophobicContact CG1-CD2 4.49Å; V286-F319 HydrophobicContact CG1-CG 4.5Å; V286-F319 HydrophobicContact CG2-CD2 3.55Å; V286-F319 HydrophobicContact CG2-CE2 3.84Å; V286-F319 HydrophobicContact CG2-CG 4.29Å; A290-F319 HydrophobicContact CB-CE1 3.66Å; A290-F319 HydrophobicContact CB-CZ 3.84Å; A315-F319 PolarHBondContact O-N 3.16Å; A315-F319 VanDerWaalsContact O-N 3.15Å; K316-F319 PolarHBondContact O-N 3.46Å; F319-G321 VanDerWaalsContact CE1-CA 3.45Å; F319-G321 PolarHBondContact O-N 3.38Å; F319-T322 WeakPolarHBondContact CE2-O 3.39Å; F319-T322 WeakPolarHBondContact CZ-O 3.24Å; F319-S410 VanDerWaalsContact O-CB 3.23Å; F319-S410 WeakPolarHBondContact O-CB 3.43Å; F319-V413 HydrophobicContact CB-CB 4.47Å; F319-V413 HydrophobicContact CB-CG1 4Å; F319-V413 HydrophobicContact CD1-CB 3.73Å; F319-V413 HydrophobicContact CD1-CG1 4Å; F319-V413 HydrophobicContact CD1-CG2 3.58Å; F319-V413 HydrophobicContact CE1-CB 4.43Å; F319-V413 HydrophobicContact CE1-CG2 3.78Å; F319-V413 HydrophobicContact CG-CB 4.42Å; F319-V413 HydrophobicContact CG-CG1 4.21Å; F319-V413 HydrophobicContact CG-CG2 4.49Å
320N90.4Very high86.1Confident114 Ų11454.8 Ų54.861%0.6129%0.29SS*.  trans-712.4-174.372.59.8000115.7N318 T322N318-N320 PolarHBondContact O-N 3.02Å; N318-N320 VanDerWaalsContact O-N 3.12Å; N320-T322 WeakPolarHBondContact OD1-CB 3.39Å; N320-T322 PolarHBondContact OD1-N 3.33Å; N320-T322 PolarHBondContact OD1-OG1 3.3Å
321G87.9Confident84Confident4 Ų457.6 Ų57.64%0.04130%0.299CS..  trans84.22.6-179.900000115.6F319 I323F319-G321 VanDerWaalsContact CE1-CA 3.45Å; F319-G321 PolarHBondContact O-N 3.38Å; G321-I323 PolarHBondContact O-N 3.03Å
322T89.6Confident81.1Confident65 Ų6561 Ų6140%0.39932%0.321SS..  trans-77.2106.7179.9-52.30000111.1Q287 F319 N320 L324Q287-T322 PolarHBondContact NE2-O 3.35Å; F319-T322 WeakPolarHBondContact CE2-O 3.39Å; F319-T322 WeakPolarHBondContact CZ-O 3.24Å; N320-T322 WeakPolarHBondContact OD1-CB 3.39Å; N320-T322 PolarHBondContact OD1-N 3.33Å; N320-T322 PolarHBondContact OD1-OG1 3.3Å; T322-L324 HydrophobicContact CG2-CD2 4.35Å; T322-L324 HydrophobicContact CG2-CG 4.38Å
323I87.7Confident78.2Confident72 Ų7266.7 Ų66.737%0.36936%0.361SS..  trans-80.6132.6175.8-57.9-176.3000110A290 H291 G321A290-I323 HydrophobicContact CB-CD1 4.38Å; A290-I323 HydrophobicContact CB-CG1 4.07Å; H291-I323 WeakPolarHBondContact CE1-CG2 3.42Å; G321-I323 PolarHBondContact O-N 3.03Å
324L86.6Confident75.2Confident75 Ų7571.7 Ų71.739%0.39340%0.397SS..  trans-127.1147.7-179.8-66.9171.8000110.7H291 T322 L326H291-L324 PolarHBondContact CE1-O 3.43Å; H291-L324 VanDerWaalsContact CE1-O 3.28Å; T322-L324 HydrophobicContact CG2-CD2 4.35Å; T322-L324 HydrophobicContact CG2-CG 4.38Å; L324-L326 PolarHBondContact O-N 3.19Å
325P81.5Confident72.1Confident60 Ų6069.1 Ų69.139%0.3940%0.403SS..  trans-72.388-172.729.3-35.8000112.7N330P325-N330 HydrophobicContact CB-CB 3.93Å; P325-N330 WeakPolarHBondContact CB-O 3.34Å
326L82Confident69Low22 Ų2275 Ų7512%0.11543%0.432CS..  trans-74.3-42.5-177.7-179.964.9000113.6I284 Q287 T288 L324I284-L326 HydrophobicContact CG1-CD1 4.1Å; I284-L326 HydrophobicContact CG2-CD2 4.33Å; Q287-L326 HydrophobicContact CB-CB 4.3Å; Q287-L326 HydrophobicContact CB-CD2 3.95Å; T288-L326 WeakPolarHBondContact OG1-CD2 3.01Å; L324-L326 PolarHBondContact O-N 3.19Å
327F79.2Confident65.8Low2 Ų282.7 Ų82.71%0.00947%0.473CS..SBendtrans-95.1151.7-174-53.1-60.3000112.3T288 H329 N330 H605 S607 Y671T288-F327 HydrophobicContact CG2-CZ 4.31Å; F327-H329 VanDerWaalsContact C-N 3.27Å; F327-H329 WeakPolarHBondContact CB-CE1 3.29Å; F327-H329 AromaticContact CD2-CE1 3.96Å; F327-H329 AromaticContact CG-CE1 3.87Å; F327-H329 PolarHBondContact O-N 3.17Å; F327-N330 WeakPolarHBondContact O-CB 3.48Å; F327-N330 PolarHBondContact O-N 3.41Å; F327-H605 AromaticContact CD1-CD2 3.56Å; F327-H605 HydrophobicContact CD2-CB 3.94Å; F327-H605 AromaticContact CE1-CD2 3.53Å; F327-H605 HydrophobicContact CE2-CB 3.78Å; F327-H605 HydrophobicContact CG-CB 4.47Å; F327-H605 AromaticContact CG-CD2 3.89Å; F327-H605 HydrophobicContact CZ-CB 4.18Å; F327-H605 AromaticContact CZ-CD2 3.82Å; F327-H605 WeakPolarHBondContact CZ-O 3.34Å; F327-S607 WeakPolarHBondContact CE1-OG 3.2Å; F327-Y671 WeakPolarHBondContact CD1-OH 3.33Å; F327-Y671 HydrophobicContact CE1-CE2 4.44Å
328M63.8Low62.8Low102 Ų10283.8 Ų83.850%0.50248%0.482SS..G310 helixtrans-57.5-36-178.4-85.4-66-171.300113.7N330 R331 S653M328-N330 PolarHBondContact O-N 3.15Å; M328-R331 PolarHBondContact O-N 3.14Å; M328-S653 VanDerWaalsContact CE-CB 3.41Å
329H63.1Low59.7Low117 Ų11786.1 Ų86.154%0.54250%0.495SS..G310 helixtrans-70.1-14.1176.962.5-104.8000113.9F327 H605F327-H329 VanDerWaalsContact C-N 3.27Å; F327-H329 WeakPolarHBondContact CB-CE1 3.29Å; F327-H329 AromaticContact CD2-CE1 3.96Å; F327-H329 AromaticContact CG-CE1 3.87Å; F327-H329 PolarHBondContact O-N 3.17Å; H329-H605 AromaticContact CE1-CG 3.67Å; H329-H605 AromaticContact CE1-ND1 3.44Å; H329-H605 PolarHBondContact CE1-ND1 3.16Å
330N55.4Low56.6Low59 Ų5992.5 Ų92.532%0.31653%0.525SS..G310 helixtrans-92.6-4.2175-71.2-17.8000113H291 P325 F327 M328H291-N330 PolarHBondContact CD2-ND2 2.67Å; H291-N330 PolarHBondContact NE2-ND2 3.12Å; P325-N330 HydrophobicContact CB-CB 3.93Å; P325-N330 WeakPolarHBondContact CB-O 3.34Å; F327-N330 WeakPolarHBondContact O-CB 3.48Å; F327-N330 PolarHBondContact O-N 3.41Å; M328-N330 PolarHBondContact O-N 3.15Å
331R50Low53.8Low105 Ų10595.1 Ų95.140%0.39654%0.537SS..SBendtrans-78.8122.6168.8-66.6-175.5177.8175.60.6108.1M328 S333M328-R331 PolarHBondContact O-N 3.14Å; R331-S333 PolarHBondContact O-N 2.59Å
332P33.9Very low50.9Low114 Ų114102.1 Ų102.174%0.7457%0.569SS**  trans-63.5124.6-17525-33.7000110.6S334P332-S334 PolarHBondContact O-N 3.34Å; P332-S334 VanDerWaalsContact O-N 3.08Å
333S34Very low47.8Very low119 Ų119105.2 Ų105.283%0.83258%0.583SS**  trans-58.2112.3176.9-42.60000110R331 G335R331-S333 PolarHBondContact O-N 2.59Å; S333-G335 PolarHBondContact O-N 3.37Å
334S30.7Very low45.1Very low117 Ų117107.2 Ų107.282%0.81860%0.599SS**  trans-58126.6168.2-167.10000108.1P332 N336P332-S334 PolarHBondContact O-N 3.34Å; P332-S334 VanDerWaalsContact O-N 3.08Å; S334-N336 PolarHBondContact O-N 3.48Å
335G29Very low42.2Very low68 Ų68109 Ų10970%0.70161%0.613SS**  trans-61.3123.4-159.200000113.9S333 N337S333-G335 PolarHBondContact O-N 3.37Å; G335-N337 PolarHBondContact O-N 3.28Å; G335-N337 VanDerWaalsContact O-N 3.08Å
336N29.2Very low39.6Very low145 Ų145112.5 Ų112.578%0.77563%0.628SS**  trans-68.1102.4168.7-74.4-15.9000110S334 V338S334-N336 PolarHBondContact O-N 3.48Å; N336-V338 HydrophobicContact CB-CG2 3.78Å; N336-V338 PolarHBondContact O-N 3.41Å; N336-V338 VanDerWaalsContact O-N 3.16Å
337N27.5Very low37Very low165 Ų165117.3 Ų117.388%0.88266%0.659SS**  trans-72.996.7152.4-81.4-7.3000107.6G335 D339G335-N337 PolarHBondContact O-N 3.28Å; G335-N337 VanDerWaalsContact O-N 3.08Å; N337-D339 PolarHBondContact O-N 2.94Å
338V30.3Very low34.5Very low97 Ų97123 Ų12359%0.58869%0.693SS**  trans-87.697.6175.3-175.20000109.5N336 H340N336-V338 HydrophobicContact CB-CG2 3.78Å; N336-V338 PolarHBondContact O-N 3.41Å; N336-V338 VanDerWaalsContact O-N 3.16Å; V338-H340 HydrophobicContact CG1-CB 4.35Å
339D28.5Very low32.7Very low164 Ų164124 Ų12488%0.87771%0.705SS**  trans-102.890.5159.2-84.4-46.4000109N337N337-D339 PolarHBondContact O-N 2.94Å
340H28.7Very low30.9Very low157 Ų157123.6 Ų123.673%0.72772%0.716SS**  trans-93.1116.4170.5-100.3-67.4000110.1V338V338-H340 HydrophobicContact CG1-CB 4.35Å
341I31.6Very low29.5Very low169 Ų169125.8 Ų125.887%0.86774%0.735SS**  trans-130.6111.6156.9-59.4-177.8000108.1
342E25.9Very low28.5Very low150 Ų150126 Ų12670%0.70175%0.753SS**  trans-87.6142.4170.9-58.3178.3132.500110.4
343N25.6Very low28.1Very low131 Ų131126.9 Ų126.970%0.70176%0.756SS**  168.6162.9105.1-98.8-69.3000116.5
344T30.6Very low27.8Very low114 Ų114126.9 Ų126.970%0.69975%0.752SS**  trans7091.4150.939.50000121.9
345T26.7Very low27.7Very low112 Ų112126.7 Ų126.769%0.68775%0.746SS**  64.2126.6113.8600000123.9
346N26.2Very low27.4Very low133 Ų133129.6 Ų129.671%0.71175%0.75SS**  trans89.9123.3131-69-1.5000123
347T27.2Very low27.4Very low124 Ų124128.6 Ų128.676%0.76175%0.754SS**  trans67.9141.8139.658.60000119.4
348T25.8Very low27.2Very low120 Ų120127.5 Ų127.574%0.73675%0.753SS**  cis-168.2158.4-5.713.70000112
349V26.3Very low27.1Very low125 Ų125126.6 Ų126.676%0.75876%0.763SS**  trans74.1111.8142.6167.30000121.4
350S26.4Very low26.8Very low108 Ų108124.6 Ų124.676%0.75576%0.757SS**  trans66.6157.1137.1-66.40000123.2
351S25.9Very low26.8Very low104 Ų104125.8 Ų125.873%0.72777%0.766SS**  cis-178.7133.5-22.856.20000113.8
352S28.6Very low26.4Very low109 Ų109124.9 Ų124.976%0.76276%0.762SS**  trans175.5135146.343.70000110.7
353T24.7Very low26.4Very low133 Ų133122.3 Ų122.382%0.81676%0.761SS**  53.9129.26938.50000114.7
354T28Very low26.5Very low120 Ų120125.7 Ų125.774%0.73677%0.772SS**  cis-149.2176.516.951.20000111
355T28.4Very low26.2Very low113 Ų113124.8 Ų124.869%0.69377%0.771SS**  cis-167.1150-19.228.70000111.3
356T24.2Very low26.2Very low129 Ų129128 Ų12879%0.79178%0.782SS**  trans41.6126.8150.260.50000123.5
357S28.9Very low26.2Very low123 Ų123130.3 Ų130.386%0.8679%0.789SS**  -168.4170.2121.646.10000112
358V23.7Very low25.9Very low142 Ų142136 Ų13686%0.86180%0.796SS**  trans-98.4142.8-173176.70000111
359G26.8Very low26Very low78 Ų78138 Ų13880%0.80480%0.801SS**  trans-151.499.9175.600000113.6
360T23.1Very low25.8Very low122 Ų122137 Ų13775%0.74880%0.8SS**  trans-84.5128.3171.2-490000110
361M27.3Very low25.9Very low183 Ų183137.1 Ų137.190%0.90180%0.8SS**  trans-141.8141.5158.6-86.1-59158.300111.3
362N24.4Very low25.8Very low149 Ų149139.8 Ų139.880%0.79781%0.807SS**  trans-116.6172.9176.4-113.7-9.2000109.3
363S24.9Very low25.8Very low96 Ų96140 Ų14067%0.67181%0.808SS**  trans62.1115.7167.661.40000118
364H28.9Very low25.7Very low203 Ų203140.4 Ų140.494%0.9481%0.811SS**  -106130.3129.9-101.6-83.2000108.1
365S24.2Very low25.6Very low95 Ų95140.3 Ų140.366%0.66481%0.81SS**PPolyproline II helixtrans-94.7133.6-172.6-450000110.9
366L26.6Very low25.3Very low179 Ų179141.1 Ų141.194%0.93782%0.82SS**PPolyproline II helixtrans-96.8124.7153.8-78.3170.6000108.2
367Q26.5Very low25.4Very low181 Ų181141 Ų14185%0.84681%0.813SS**PPolyproline II helixtrans-81.5142.6-176.4-66.9175.3-68.600110.4
368R20.5Very low25.1Very low243 Ų243144.4 Ų144.492%0.91782%0.816SS**PPolyproline II helixtrans-66134.6164.1-53.5-179.8-163-167.92.6108.3
369I27Very low25.3Very low162 Ų162144 Ų14483%0.83181%0.808SS**  trans-107.5125156.4-66.2177.7000105.8
370S22.3Very low25.1Very low105 Ų105146.3 Ų146.373%0.73480%0.801SS**  trans-85.1140.4177.8-490000110.7
371S30.1Very low25.3Very low110 Ų110145.9 Ų145.977%0.76979%0.794SS**  trans-14996.8163.657.70000109.9
372D21.9Very low25.3Very low161 Ų161141.4 Ų141.486%0.86178%0.777SS**  trans-71.2131.4169.7-58.7-72.4000110.7
373S29Very low25.4Very low112 Ų112139.9 Ų139.978%0.78378%0.777SS**  trans-161.5111.9151.632.30000111.5
374T23.4Very low25.3Very low143 Ų143142.6 Ų142.688%0.87778%0.784SS**  trans-87.1110.717550.10000111.3
375T25.6Very low25.2Very low118 Ų118144.7 Ų144.772%0.72478%0.783SS**  trans-141.4114.9157.441.60000109.7I377T375-I377 PolarHBondContact O-N 3.02Å
376S22.6Very low25.2Very low130 Ų130146 Ų14691%0.90979%0.792SS**  trans-63.5128.6163.3-43.10000108.7
377I25.2Very low25.2Very low126 Ų126142.3 Ų142.365%0.64678%0.782SS**  trans-132115.2169.4-60.4-178.8000106.8T375 I379T375-I377 PolarHBondContact O-N 3.02Å; I377-I379 HydrophobicContact CG2-CG1 3.97Å; I377-I379 PolarHBondContact O-N 2.87Å
378E23.3Very low25.1Very low195 Ų195139.5 Ų139.591%0.91178%0.782SS**  trans-70.4122.6165.7-64.8169136.500107.4
379I26.8Very low25.4Very low134 Ų134134.8 Ų134.869%0.68777%0.774SS**  trans-107.498.8179.2-61.1-179.3000108.1I377 L381I377-I379 HydrophobicContact CG2-CG1 3.97Å; I377-I379 PolarHBondContact O-N 2.87Å; I379-L381 PolarHBondContact O-N 3.18Å
380D24.3Very low25.3Very low126 Ų126132.4 Ų132.467%0.67477%0.769SS**  trans-62116.3171.9-101.4-40.9000110.8T382D380-T382 PolarHBondContact O-N 3.22Å; D380-T382 VanDerWaalsContact O-N 3.12Å
381L25.8Very low25.5Very low112 Ų112134.6 Ų134.659%0.58677%0.77SS**  trans-86.863.9170.4-80.7165.3000110.8Y244 I379Y244-L381 HydrophobicContact CD1-CB 4.11Å; Y244-L381 HydrophobicContact CD1-CD1 3.86Å; Y244-L381 HydrophobicContact CE1-CB 4.18Å; Y244-L381 HydrophobicContact CG-CD1 4.33Å; I379-L381 PolarHBondContact O-N 3.18Å
382T27.5Very low25.2Very low89 Ų89135.4 Ų135.455%0.54677%0.771SS.*  trans-110.8139.8163.157.20000110.9D380 N384 V442D380-T382 PolarHBondContact O-N 3.22Å; D380-T382 VanDerWaalsContact O-N 3.12Å; T382-N384 PolarHBondContact O-N 3.47Å; T382-V442 HydrophobicContact CG2-CB 4.33Å; T382-V442 HydrophobicContact CG2-CG1 3.9Å; T382-V442 HydrophobicContact CG2-CG2 3.45Å; T382-V442 VanDerWaalsContact CG2-CG2 3.45Å
383C26.1Very low25.5Very low118 Ų118133.6 Ų133.680%0.79777%0.766SS**  trans-82.3116.6-174.5500000111.6
384N23.9Very low25.2Very low153 Ų153134.1 Ų134.182%0.81877%0.765SS**  trans164.8103.8130.1-90.9-59.2000112.9T382T382-N384 PolarHBondContact O-N 3.47Å
385R26Very low25.4Very low247 Ų247133.5 Ų133.593%0.93276%0.761SS**  trans-163.5134.5133.8-115.8169.1-173.6-163.70.8114.3
386S24.8Very low25.3Very low121 Ų121133.8 Ų133.885%0.84676%0.762SS**  trans-81.3117.9172.153.90000111.5
387S26.3Very low25.5Very low103 Ų103131.4 Ų131.472%0.7275%0.751SS**  trans-149.899.5163.256.90000111.2
388S23.8Very low25.4Very low122 Ų122132.2 Ų132.285%0.85376%0.762SS**  trans-75120.4176.153.10000111.7
389I27.6Very low25.6Very low144 Ų144128.5 Ų128.574%0.73875%0.747SS**  trans-130.6120.2167.4-58.1180000108.1
390P24.6Very low25.6Very low112 Ų112126.4 Ų126.473%0.72775%0.75SS**  trans-83.9123.6178.232-31.6000111.1
391I27.5Very low25.8Very low150 Ų150128.2 Ų128.277%0.76975%0.754SS**  trans-89.2105.5168.7-61.9-179.9000108.6T393I391-T393 HydrophobicContact CG2-CG2 4.44Å; I391-T393 PolarHBondContact O-N 2.98Å
392T22.7Very low26Very low128 Ų128129 Ų12979%0.78576%0.763SS**  trans-77.5103.3170.240.90000111.1
393T28.5Very low26Very low122 Ų122130.9 Ų130.975%0.74878%0.775SS**  trans-109.1109.3159.835.90000109.5I391 T395I391-T393 HydrophobicContact CG2-CG2 4.44Å; I391-T393 PolarHBondContact O-N 2.98Å; T393-T395 PolarHBondContact O-N 2.85Å
394T23.6Very low26.5Very low124 Ų124130.3 Ų130.376%0.76177%0.768SS**  trans-79.7112.3-171.6-45.70000111.3
395T27.3Very low27.3Very low130 Ų130126.3 Ų126.380%0.79875%0.752SS**  trans-141.6102164.3-52.40000109.6T393 A397T393-T395 PolarHBondContact O-N 2.85Å; T395-A397 PolarHBondContact O-N 2.93Å
396T23.6Very low28.5Very low123 Ų123117.8 Ų117.876%0.75573%0.73SS**  trans-8180.8-164.5-34.40000112.7
397A25.8Very low30.1Very low80 Ų80116.3 Ų116.366%0.66172%0.72SS**  trans-96101.4167.700000110.2T395 I399T395-A397 PolarHBondContact O-N 2.93Å; A397-I399 VanDerWaalsContact C-N 3.33Å; A397-I399 PolarHBondContact O-N 3.44Å
398T23.5Very low32.4Very low143 Ų143114.9 Ų114.988%0.87771%0.71SS**  trans-75.277.5-175.5-2.40000112.5
399I27.3Very low35Very low117 Ų117109.8 Ų109.860%0.667%0.674SS**  trans-84.8125.3167.2-59.3178.6000108.4A397 Q401A397-I399 VanDerWaalsContact C-N 3.33Å; A397-I399 PolarHBondContact O-N 3.44Å; I399-Q401 PolarHBondContact O-N 3.2Å; I399-Q401 VanDerWaalsContact O-N 3.12Å
400A26Very low37.6Very low91 Ų91104.4 Ų104.475%0.75265%0.649SS**  trans-70.1106.1179.300000110.8T402A400-T402 PolarHBondContact O-N 2.98Å
401Q29.4Very low40.4Very low163 Ų163100.5 Ų100.576%0.76263%0.63SS**  trans-72.2107.3176.8-68.7177.7-18.800110.6I399 T403I399-Q401 PolarHBondContact O-N 3.2Å; I399-Q401 VanDerWaalsContact O-N 3.12Å; Q401-T403 PolarHBondContact O-N 3.3Å; Q401-T403 VanDerWaalsContact O-N 3.1Å
402T29.8Very low43.2Very low128 Ų12896.4 Ų96.479%0.78561%0.609SS**  trans-75.191.8168.228.10000110A400 V404A400-T402 PolarHBondContact O-N 2.98Å; T402-V404 PolarHBondContact O-N 2.91Å
403T28.5Very low46.5Very low130 Ų13090.3 Ų90.380%0.79857%0.572SS**  trans-73.964.3178.943.70000112.8Q401Q401-T403 PolarHBondContact O-N 3.3Å; Q401-T403 VanDerWaalsContact O-N 3.1Å
404V35.9Very low49.4Very low105 Ų10585.9 Ų85.964%0.63655%0.548SS*.  trans-68.1143.2169-165.50000108.8T402 S406T402-V404 PolarHBondContact O-N 2.91Å; V404-S406 PolarHBondContact O-N 3.32Å
405S40.4Very low52.4Low69 Ų6989.6 Ų89.648%0.48355%0.548SS..  trans-45.499.6-168.352.40000115.1S407 S408S405-S407 VanDerWaalsContact C-N 3.29Å; S405-S407 PolarHBondContact O-N 3.12Å; S405-S408 WeakPolarHBondContact O-CB 3.02Å; S405-S408 PolarHBondContact O-N 3.14Å; S405-S408 PolarHBondContact OG-OG 2.86Å
406S50.6Low55.5Low69 Ų6983.6 Ų83.648%0.48351%0.511SS..Hα-helixtrans-63.2-25.2-169.153.10000115.3V404 S408 S410V404-S406 PolarHBondContact O-N 3.32Å; S406-S408 VanDerWaalsContact C-N 3.29Å; S406-S408 PolarHBondContact O-N 3.36Å; S406-S410 PolarHBondContact O-N 2.77Å; S406-S410 PolarHBondContact O-OG 3.34Å
407S59.4Low58.6Low89 Ų8978.8 Ų78.862%0.62248%0.482SS*.Hα-helixtrans-66.3-27.6174.551.60000113.4S405 S410 G411S405-S407 VanDerWaalsContact C-N 3.29Å; S405-S407 PolarHBondContact O-N 3.12Å; S407-S410 WeakPolarHBondContact CA-OG 3.34Å; S407-S410 PolarHBondContact O-OG 3.39Å; S407-G411 PolarHBondContact O-N 3.49Å
408S73.8Confident61.9Low73 Ų7375.1 Ų75.151%0.5145%0.451SS..Hα-helixtrans-73.7-45.8178.5-55.50000111.4S405 S406 G411 L412S405-S408 WeakPolarHBondContact O-CB 3.02Å; S405-S408 PolarHBondContact O-N 3.14Å; S405-S408 PolarHBondContact OG-OG 2.86Å; S406-S408 VanDerWaalsContact C-N 3.29Å; S406-S408 PolarHBondContact O-N 3.36Å; S408-G411 PolarHBondContact O-N 2.57Å; S408-L412 WeakPolarHBondContact O-CB 3.33Å; S408-L412 PolarHBondContact O-N 3.09Å
409S78.5Confident65.2Low15 Ų1568.8 Ų68.811%0.10541%0.411CS..Hα-helixtrans-73.9-38.9-175.5-43.60000112.5L412 V413S409-L412 WeakPolarHBondContact O-CB 3.37Å; S409-L412 PolarHBondContact O-N 3.04Å; S409-V413 WeakPolarHBondContact O-CG2 3.41Å; S409-V413 PolarHBondContact O-N 3.34Å; S409-V413 VanDerWaalsContact O-N 3.08Å
410S82.7Confident68.4Low31 Ų3163.2 Ų63.222%0.21738%0.383CS..Hα-helixtrans-61.5-47.217147.70000111.6F319 S406 S407 L412 V413 A414F319-S410 VanDerWaalsContact O-CB 3.23Å; F319-S410 WeakPolarHBondContact O-CB 3.43Å; S406-S410 PolarHBondContact O-N 2.77Å; S406-S410 PolarHBondContact O-OG 3.34Å; S407-S410 WeakPolarHBondContact CA-OG 3.34Å; S407-S410 PolarHBondContact O-OG 3.39Å; S410-L412 VanDerWaalsContact C-N 3.27Å; S410-L412 PolarHBondContact O-N 3.13Å; S410-V413 PolarHBondContact O-N 3.15Å; S410-A414 WeakPolarHBondContact O-CB 3.35Å; S410-A414 PolarHBondContact O-N 2.97Å
411G84.3Confident71.6Confident31 Ų3158.9 Ų58.932%0.3235%0.347SS..Hα-helixtrans-60.7-31.5174.900000114.3S407 S408 R415S407-G411 PolarHBondContact O-N 3.49Å; S408-G411 PolarHBondContact O-N 2.57Å; G411-R415 WeakPolarHBondContact O-CB 3.37Å; G411-R415 WeakPolarHBondContact O-CD 3.24Å; G411-R415 WeakPolarHBondContact O-CG 3.34Å; G411-R415 PolarHBondContact O-N 3.35Å
412L86.5Confident74.7Confident63 Ų6351.1 Ų51.133%0.3331%0.311SS..Hα-helixtrans-69.5-51.1174.6-17565.8000111.8S408 S409 S410 R415 S416 P564S408-L412 WeakPolarHBondContact O-CB 3.33Å; S408-L412 PolarHBondContact O-N 3.09Å; S409-L412 WeakPolarHBondContact O-CB 3.37Å; S409-L412 PolarHBondContact O-N 3.04Å; S410-L412 VanDerWaalsContact C-N 3.27Å; S410-L412 PolarHBondContact O-N 3.13Å; L412-R415 PolarHBondContact O-N 2.78Å; L412-S416 PolarHBondContact O-N 3.01Å; L412-S416 PolarHBondContact O-OG 2.93Å; L412-P564 HydrophobicContact CD1-CG 3.86Å; L412-P564 HydrophobicContact CD2-CG 4.07Å; L412-P564 HydrophobicContact CG-CG 3.83Å
413V91.6Very high77.6Confident0 Ų046.7 Ų46.70%028%0.282CS..Hα-helixtrans-64.7-42.8-178174.40000111.8V286 L289 A290 K316 F319 S409 S410 R415 S416V286-V413 HydrophobicContact CB-CG1 4.1Å; V286-V413 HydrophobicContact CG1-CG1 4.12Å; L289-V413 HydrophobicContact CB-CB 4.5Å; L289-V413 HydrophobicContact CB-CG1 4.39Å; L289-V413 HydrophobicContact CB-CG2 3.88Å; L289-V413 HydrophobicContact CD1-CG1 4.34Å; A290-V413 HydrophobicContact CB-CG2 3.74Å; K316-V413 HydrophobicContact CB-CG1 4.05Å; K316-V413 WeakPolarHBondContact CE-O 3.06Å; K316-V413 HydrophobicContact CG-CG1 3.91Å; K316-V413 PolarHBondContact NZ-O 2.97Å; F319-V413 HydrophobicContact CB-CB 4.47Å; F319-V413 HydrophobicContact CB-CG1 4Å; F319-V413 HydrophobicContact CD1-CB 3.73Å; F319-V413 HydrophobicContact CD1-CG1 4Å; F319-V413 HydrophobicContact CD1-CG2 3.58Å; F319-V413 HydrophobicContact CE1-CB 4.43Å; F319-V413 HydrophobicContact CE1-CG2 3.78Å; F319-V413 HydrophobicContact CG-CB 4.42Å; F319-V413 HydrophobicContact CG-CG1 4.21Å; F319-V413 HydrophobicContact CG-CG2 4.49Å; S409-V413 WeakPolarHBondContact O-CG2 3.41Å; S409-V413 PolarHBondContact O-N 3.34Å; S409-V413 VanDerWaalsContact O-N 3.08Å; S410-V413 PolarHBondContact O-N 3.15Å; V413-R415 VanDerWaalsContact C-N 3.31Å; V413-R415 PolarHBondContact O-N 2.84Å; V413-S416 WeakPolarHBondContact O-CB 3.49Å; V413-S416 PolarHBondContact O-N 2.8Å
414A88.8Confident80.8Confident30 Ų3041.9 Ų41.925%0.24825%0.251CS..Hα-helixtrans-60.4-41.7176.500000111.7K316 S410K316-A414 PolarHBondContact NZ-O 3.19Å; S410-A414 WeakPolarHBondContact O-CB 3.35Å; S410-A414 PolarHBondContact O-N 2.97Å
415R87.7Confident83.6Confident202 Ų20236.9 Ų36.976%0.76222%0.221SC*.Hα-helixtrans-86.1-7.7-177-61.8175.982.4158.18.5114.7G411 L412 V413G411-R415 WeakPolarHBondContact O-CB 3.37Å; G411-R415 WeakPolarHBondContact O-CD 3.24Å; G411-R415 WeakPolarHBondContact O-CG 3.34Å; G411-R415 PolarHBondContact O-N 3.35Å; L412-R415 PolarHBondContact O-N 2.78Å; V413-R415 VanDerWaalsContact C-N 3.31Å; V413-R415 PolarHBondContact O-N 2.84Å
416S90.4Very high86.2Confident4 Ų437.5 Ų37.53%0.02822%0.216CC..  trans-58121.7174.1-63.80000110.1K316 L412 V413 P564K316-S416 WeakPolarHBondContact CE-O 3.24Å; K316-S416 PolarHBondContact NZ-O 2.92Å; L412-S416 PolarHBondContact O-N 3.01Å; L412-S416 PolarHBondContact O-OG 2.93Å; V413-S416 WeakPolarHBondContact O-CB 3.49Å; V413-S416 PolarHBondContact O-N 2.8Å; S416-P564 WeakPolarHBondContact CA-O 3.23Å; S416-P564 WeakPolarHBondContact CB-O 3.48Å; S416-P564 PolarHBondContact OG-O 2.68Å
417P90.1Very high88.3Confident22 Ų2236.7 Ų36.714%0.14321%0.207CC..  trans-71153.5179.629.4-34.6000111.3F419 C565 L566P417-F419 HydrophobicContact CB-CE2 4.14Å; P417-F419 HydrophobicContact CG-CE2 3.88Å; P417-F419 HydrophobicContact CG-CZ 4.44Å; P417-C565 HydrophobicContact CG-CB 3.89Å; P417-C565 WeakPolarHBondContact O-CA 3.28Å; P417-C565 WeakPolarHBondContact O-CB 3.22Å; P417-L566 PolarHBondContact O-N 2.61Å
418I93.7Very high90.1Very high2 Ų232.4 Ų32.41%0.0118%0.178CC..EExtended strand (participates in β ladder)trans-109.8124.2173.3-53.3-179.4000108.4L309 I313 K316 K464 L465 V466 L566 F568L309-I418 HydrophobicContact CD2-CG2 4.12Å; I313-I418 HydrophobicContact CD1-CD1 4.01Å; I313-I418 HydrophobicContact CG1-CD1 3.29Å; K316-I418 HydrophobicContact CD-CD1 4.1Å; K316-I418 HydrophobicContact CD-CG1 4.37Å; I418-K464 PolarHBondContact N-O 3.23Å; I418-L465 HydrophobicContact CB-CD1 4.18Å; I418-L465 HydrophobicContact CG2-CD1 3.89Å; I418-L465 CarbonylContact O-C 3.52Å; I418-L465 WeakPolarHBondContact O-CA 3.47Å; I418-V466 PolarHBondContact O-N 2.83Å; I418-L566 CarbonylContact C-O 3.46Å; I418-L566 VanDerWaalsContact CA-O 3.28Å; I418-L566 WeakPolarHBondContact CA-O 3.26Å; I418-L566 HydrophobicContact CD1-CD2 4.21Å; I418-L566 HydrophobicContact CG1-CB 4.31Å; I418-L566 HydrophobicContact CG1-CD2 4.25Å; I418-L566 HydrophobicContact CG2-CD2 4.29Å; I418-L566 HydrophobicContact CG2-CG 4.27Å; I418-F568 HydrophobicContact CG2-CD2 3.94Å; I418-F568 HydrophobicContact CG2-CE2 3.97Å
419F93.5Very high91.2Very high10 Ų1029.4 Ų29.44%0.04416%0.156CC..EExtended strand (participates in β ladder)trans-101.4143.8171.4-63.9-92000110P417 I421 V466 L468 L499 P561 C565 L566 I567 F568P417-F419 HydrophobicContact CB-CE2 4.14Å; P417-F419 HydrophobicContact CG-CE2 3.88Å; P417-F419 HydrophobicContact CG-CZ 4.44Å; F419-I421 HydrophobicContact CB-CG1 4.36Å; F419-V466 WeakPolarHBondContact CA-O 3.42Å; F419-V466 HydrophobicContact CD1-CB 3.71Å; F419-V466 HydrophobicContact CD1-CG1 3.82Å; F419-V466 HydrophobicContact CD1-CG2 4.49Å; F419-V466 HydrophobicContact CE1-CB 3.92Å; F419-V466 HydrophobicContact CE1-CG1 3.84Å; F419-V466 HydrophobicContact CE1-CG2 4.28Å; F419-V466 HydrophobicContact CG-CB 4.46Å; F419-L468 HydrophobicContact CD1-CD1 3.87Å; F419-L468 HydrophobicContact CD1-CG 4.48Å; F419-L468 HydrophobicContact CE1-CD1 4.39Å; F419-L499 HydrophobicContact CD1-CD2 4.4Å; F419-L499 HydrophobicContact CD2-CD2 4.41Å; F419-L499 HydrophobicContact CE1-CD2 4.13Å; F419-L499 HydrophobicContact CE2-CD2 4.15Å; F419-L499 HydrophobicContact CZ-CD2 4Å; F419-P561 HydrophobicContact CE2-CG 3.72Å; F419-P561 HydrophobicContact CZ-CG 3.82Å; F419-C565 HydrophobicContact CD2-CB 4.04Å; F419-C565 HydrophobicContact CE2-CB 3.85Å; F419-L566 PolarHBondContact N-O 3.14Å; F419-I567 HydrophobicContact CB-CB 4.48Å; F419-I567 HydrophobicContact CB-CG1 4.2Å; F419-I567 HydrophobicContact CB-CG2 4.18Å; F419-I567 HydrophobicContact CD2-CG1 4.17Å; F419-I567 WeakPolarHBondContact O-CA 3.34Å; F419-F568 PolarHBondContact O-N 3.32Å
420F94.9Very high91.9Very high0 Ų031.2 Ų31.20%017%0.172CC..EExtended strand (participates in β ladder)trans-128.8116.2168.9-170.1-173.6000108.6I305 L309 V425 L429 L465 V466 A467 L468 F568I305-F420 HydrophobicContact CD1-CZ 4.49Å; I305-F420 HydrophobicContact CG1-CE1 4.09Å; I305-F420 HydrophobicContact CG1-CE2 4.17Å; I305-F420 HydrophobicContact CG1-CZ 3.67Å; L309-F420 HydrophobicContact CD1-CD1 3.94Å; L309-F420 HydrophobicContact CD1-CE1 3.97Å; F420-V425 HydrophobicContact CB-CG2 3.94Å; F420-V425 HydrophobicContact CD1-CG2 3.52Å; F420-V425 HydrophobicContact CD2-CG2 4.17Å; F420-V425 HydrophobicContact CE1-CG2 4.01Å; F420-V425 HydrophobicContact CG-CG2 3.6Å; F420-L429 HydrophobicContact CD1-CD1 4.18Å; F420-L429 HydrophobicContact CD1-CD2 4.14Å; F420-L429 HydrophobicContact CD1-CG 4.34Å; F420-L429 HydrophobicContact CE1-CD2 4.01Å; F420-L429 HydrophobicContact CE1-CG 4.32Å; F420-L465 HydrophobicContact CB-CD1 4.22Å; F420-V466 PolarHBondContact N-O 2.99Å; F420-A467 WeakPolarHBondContact O-CA 3.37Å; F420-L468 PolarHBondContact O-N 2.69Å; F420-F568 CarbonylContact C-O 3.58Å; F420-F568 WeakPolarHBondContact CA-O 3.37Å; F420-F568 HydrophobicContact CD2-CB 3.81Å; F420-F568 HydrophobicContact CE2-CB 4.33Å; F420-F568 HydrophobicContact CG-CB 4.34Å
421I93.5Very high92.6Very high0 Ų033 Ų330%017%0.174CC..EExtended strand (participates in β ladder)trans-118.5109-167.9-46.6179.5000109.9F419 L468 L471 L499 I567 F568 A569 S570 P578 L582F419-I421 HydrophobicContact CB-CG1 4.36Å; I421-L468 WeakPolarHBondContact CA-O 3.35Å; I421-L468 HydrophobicContact CG1-CB 4.4Å; I421-L468 HydrophobicContact CG1-CD1 4.44Å; I421-L471 HydrophobicContact CD1-CD2 4.16Å; I421-L499 HydrophobicContact CD1-CD1 3.6Å; I421-I567 HydrophobicContact CD1-CG2 3.66Å; I421-I567 HydrophobicContact CG1-CG2 4.15Å; I421-F568 PolarHBondContact N-O 2.83Å; I421-A569 HydrophobicContact CB-CB 4.33Å; I421-A569 WeakPolarHBondContact O-CA 3.48Å; I421-S570 PolarHBondContact O-N 2.84Å; I421-P578 HydrophobicContact CB-CG 4.48Å; I421-P578 HydrophobicContact CG2-CB 4.02Å; I421-P578 HydrophobicContact CG2-CG 3.98Å; I421-L582 HydrophobicContact CD1-CD1 4.11Å
422S93.5Very high93.1Very high0 Ų031.6 Ų31.60%016%0.159CC..  trans-163.4143176.2147.50000108.4D138 P301 Q424 V425 L468 K469D138-S422 WeakPolarHBondContact OD1-CB 3.42Å; D138-S422 PolarHBondContact OD1-OG 3.38Å; P301-S422 WeakPolarHBondContact CB-OG 3.24Å; S422-Q424 PolarHBondContact O-N 2.96Å; S422-Q424 VanDerWaalsContact O-N 3.09Å; S422-Q424 PolarHBondContact OG-N 3.43Å; S422-V425 WeakPolarHBondContact O-CB 3.33Å; S422-V425 VanDerWaalsContact O-CG1 3.24Å; S422-V425 WeakPolarHBondContact O-CG1 3.47Å; S422-V425 PolarHBondContact O-N 2.87Å; S422-V425 VanDerWaalsContact O-N 3.07Å; S422-V425 PolarHBondContact OG-N 3.39Å; S422-L468 PolarHBondContact N-O 2.81Å; S422-K469 CarbonylContact C-O 3.53Å; S422-K469 WeakPolarHBondContact O-CA 3.28Å
423N92Very high93.4Very high35 Ų3530.1 Ų30.119%0.18715%0.152CC..THydrogen-bonded Turntrans-56-28.3175.6-90.5-78.8000112.5D138 C141 E142 K469D138-N423 PolarHBondContact OD1-N 3.17Å; C141-N423 HydrophobicContact CB-CB 3.78Å; C141-N423 VanDerWaalsContact CB-CG 3.46Å; E142-N423 PolarHBondContact OE1-ND2 3.15Å; N423-K469 VanDerWaalsContact CA-O 3.27Å; N423-K469 WeakPolarHBondContact CA-O 3.48Å; N423-K469 PolarHBondContact N-O 3.04Å
424Q94.5Very high93.6Very high30 Ų3033 Ų3314%0.1418%0.176CC..THydrogen-bonded Turntrans-1036179.7-57-51.6-36.100115.4I134 D137 D138 S422 H426 V427 S428I134-Q424 HydrophobicContact CB-CB 4.44Å; I134-Q424 HydrophobicContact CG1-CB 4.31Å; I134-Q424 HydrophobicContact CG2-CB 3.89Å; I134-Q424 HydrophobicContact CG2-CG 4.47Å; D137-Q424 HydrophobicContact CB-CG 3.98Å; D137-Q424 VanDerWaalsContact CB-NE2 3.32Å; D138-Q424 HydrophobicContact CB-CG 4.01Å; D138-Q424 PolarHBondContact OD1-N 3.25Å; S422-Q424 PolarHBondContact O-N 2.96Å; S422-Q424 VanDerWaalsContact O-N 3.09Å; S422-Q424 PolarHBondContact OG-N 3.43Å; Q424-H426 VanDerWaalsContact C-N 3.35Å; Q424-H426 PolarHBondContact O-N 3.49Å; Q424-H426 VanDerWaalsContact O-N 3.14Å; Q424-V427 WeakPolarHBondContact O-CB 3.48Å; Q424-V427 PolarHBondContact O-N 3.39Å; Q424-S428 PolarHBondContact O-N 2.93Å
425V94.9Very high93.9Very high0 Ų032.7 Ų32.70%017%0.168CC..Hα-helixtrans-48.7-47.4-171.164.30000114.5F420 S422 V427 S428 L429 A467F420-V425 HydrophobicContact CB-CG2 3.94Å; F420-V425 HydrophobicContact CD1-CG2 3.52Å; F420-V425 HydrophobicContact CD2-CG2 4.17Å; F420-V425 HydrophobicContact CE1-CG2 4.01Å; F420-V425 HydrophobicContact CG-CG2 3.6Å; S422-V425 WeakPolarHBondContact O-CB 3.33Å; S422-V425 VanDerWaalsContact O-CG1 3.24Å; S422-V425 WeakPolarHBondContact O-CG1 3.47Å; S422-V425 PolarHBondContact O-N 2.87Å; S422-V425 VanDerWaalsContact O-N 3.07Å; S422-V425 PolarHBondContact OG-N 3.39Å; V425-V427 VanDerWaalsContact C-N 3.32Å; V425-V427 PolarHBondContact O-N 3.49Å; V425-S428 PolarHBondContact O-N 3.15Å; V425-L429 HydrophobicContact CG2-CD1 3.96Å; V425-L429 HydrophobicContact CG2-CG 4.47Å; V425-L429 WeakPolarHBondContact O-CG 3.42Å; V425-L429 PolarHBondContact O-N 2.94Å; V425-A467 HydrophobicContact CG1-CB 3.91Å; V425-A467 HydrophobicContact CG2-CB 3.78Å
426H94.8Very high94.1Very high82 Ų8223.2 Ų23.238%0.3813%0.133SC..Hα-helixtrans-69.5-28.8-178.6-62.2-76.5000113.3Q424 A430Q424-H426 VanDerWaalsContact C-N 3.35Å; Q424-H426 PolarHBondContact O-N 3.49Å; Q424-H426 VanDerWaalsContact O-N 3.14Å; H426-A430 VanDerWaalsContact O-CB 3.27Å; H426-A430 WeakPolarHBondContact O-CB 3.41Å; H426-A430 PolarHBondContact O-N 3.43Å
427V96Very high94.1Very high51 Ų5128.4 Ų28.431%0.30916%0.157SC..Hα-helixtrans-75.1-41.1178-171.80000109.2I134 Q424 V425 A430 Y431I134-V427 HydrophobicContact CD1-CB 4.42Å; I134-V427 HydrophobicContact CD1-CG1 4.12Å; I134-V427 HydrophobicContact CG1-CB 4.5Å; I134-V427 HydrophobicContact CG1-CG1 4.25Å; Q424-V427 WeakPolarHBondContact O-CB 3.48Å; Q424-V427 PolarHBondContact O-N 3.39Å; V425-V427 VanDerWaalsContact C-N 3.32Å; V425-V427 PolarHBondContact O-N 3.49Å; V427-A430 PolarHBondContact O-N 3.32Å; V427-Y431 HydrophobicContact CG1-CD1 4.49Å; V427-Y431 HydrophobicContact CG1-CD2 3.91Å; V427-Y431 HydrophobicContact CG1-CE1 4.1Å; V427-Y431 HydrophobicContact CG1-CE2 3.44Å; V427-Y431 VanDerWaalsContact CG1-CE2 3.44Å; V427-Y431 HydrophobicContact CG1-CG 4.41Å; V427-Y431 WeakPolarHBondContact O-CB 3.23Å; V427-Y431 PolarHBondContact O-N 3.09Å
428S96.5Very high94.4Very high0 Ų028.4 Ų28.40%015%0.154CC..Hα-helixtrans-62.1-50.6176.4-167.60000112.8P301 F306 Q424 V425 A430 Y431 S432P301-S428 VanDerWaalsContact O-CB 3.27Å; P301-S428 WeakPolarHBondContact O-CB 3.36Å; P301-S428 PolarHBondContact O-OG 2.89Å; F306-S428 WeakPolarHBondContact CZ-OG 3.35Å; Q424-S428 PolarHBondContact O-N 2.93Å; V425-S428 PolarHBondContact O-N 3.15Å; S428-A430 PolarHBondContact O-N 3.39Å; S428-Y431 PolarHBondContact O-N 3.35Å; S428-S432 PolarHBondContact O-N 3.14Å
429L95.8Very high94.5Very high9 Ų928.3 Ų28.35%0.04715%0.154CC..Hα-helixtrans-67.4-19.6177.6-62.9173.8000113.6F306 L309 F420 V425 S432 F456 L460 L465 A467F306-L429 HydrophobicContact CE1-CD2 4.41Å; L309-L429 HydrophobicContact CD1-CD2 4.35Å; F420-L429 HydrophobicContact CD1-CD1 4.18Å; F420-L429 HydrophobicContact CD1-CD2 4.14Å; F420-L429 HydrophobicContact CD1-CG 4.34Å; F420-L429 HydrophobicContact CE1-CD2 4.01Å; F420-L429 HydrophobicContact CE1-CG 4.32Å; V425-L429 HydrophobicContact CG2-CD1 3.96Å; V425-L429 HydrophobicContact CG2-CG 4.47Å; V425-L429 WeakPolarHBondContact O-CG 3.42Å; V425-L429 PolarHBondContact O-N 2.94Å; L429-S432 PolarHBondContact O-OG 3.3Å; L429-F456 HydrophobicContact CB-CD2 4.44Å; L429-F456 HydrophobicContact CD2-CB 4.24Å; L429-F456 HydrophobicContact CD2-CD1 4.43Å; L429-F456 HydrophobicContact CD2-CD2 3.47Å; L429-F456 VanDerWaalsContact CD2-CD2 3.47Å; L429-F456 HydrophobicContact CD2-CE2 3.85Å; L429-F456 HydrophobicContact CD2-CG 3.81Å; L429-F456 HydrophobicContact CD2-CZ 4.49Å; L429-L460 HydrophobicContact CD1-CD1 4.33Å; L429-L465 HydrophobicContact CD1-CD2 4.32Å; L429-A467 HydrophobicContact CD1-CB 4.35Å
430A95.1Very high94.6Very high53 Ų5328.2 Ų28.244%0.43815%0.154SC..Hα-helixtrans-80.7-46.6170.700000111.3H426 V427 S428 S432 N433 A434H426-A430 VanDerWaalsContact O-CB 3.27Å; H426-A430 WeakPolarHBondContact O-CB 3.41Å; H426-A430 PolarHBondContact O-N 3.43Å; V427-A430 PolarHBondContact O-N 3.32Å; S428-A430 PolarHBondContact O-N 3.39Å; A430-S432 PolarHBondContact O-N 3.26Å; A430-N433 PolarHBondContact O-N 2.68Å; A430-N433 VanDerWaalsContact O-N 3.17Å; A430-A434 WeakPolarHBondContact O-CB 3.24Å; A430-A434 PolarHBondContact O-N 2.75Å
431Y96.4Very high94.6Very high70 Ų7031.7 Ų31.728%0.27518%0.178SC..Hα-helixtrans-67.2-31.7-179.7-70.8-12.2000113.5K130 I134 V427 S428 N433 A434 Y435K130-Y431 HydrophobicContact CB-CD2 3.71Å; K130-Y431 HydrophobicContact CB-CE2 3.63Å; K130-Y431 HydrophobicContact CG-CD2 4.32Å; K130-Y431 HydrophobicContact CG-CE2 4.04Å; I134-Y431 HydrophobicContact CD1-CD2 3.52Å; I134-Y431 HydrophobicContact CD1-CE2 3.98Å; I134-Y431 HydrophobicContact CG1-CD2 4.5Å; V427-Y431 HydrophobicContact CG1-CD1 4.49Å; V427-Y431 HydrophobicContact CG1-CD2 3.91Å; V427-Y431 HydrophobicContact CG1-CE1 4.1Å; V427-Y431 HydrophobicContact CG1-CE2 3.44Å; V427-Y431 VanDerWaalsContact CG1-CE2 3.44Å; V427-Y431 HydrophobicContact CG1-CG 4.41Å; V427-Y431 WeakPolarHBondContact O-CB 3.23Å; V427-Y431 PolarHBondContact O-N 3.09Å; S428-Y431 PolarHBondContact O-N 3.35Å; Y431-N433 PolarHBondContact O-N 2.67Å; Y431-A434 PolarHBondContact O-N 3.21Å; Y431-Y435 HydrophobicContact CD1-CE2 4.32Å; Y431-Y435 HydrophobicContact CG-CE2 4.19Å; Y431-Y435 WeakPolarHBondContact O-CD2 3.48Å; Y431-Y435 PolarHBondContact O-N 2.89Å; Y431-Y435 VanDerWaalsContact O-N 3.11Å
432S94.6Very high94.6Very high0 Ų033.5 Ų33.50%019%0.189CC..Hα-helixtrans-61.1-29.7173.271.40000112.6S428 L429 A430 F454S428-S432 PolarHBondContact O-N 3.14Å; L429-S432 PolarHBondContact O-OG 3.3Å; A430-S432 PolarHBondContact O-N 3.26Å; S432-F454 WeakPolarHBondContact O-CD2 3.33Å; S432-F454 WeakPolarHBondContact O-CE2 3.13Å
433N93.8Very high94.6Very high32 Ų3234.9 Ų34.917%0.17120%0.195CC..Hα-helixtrans-92.8-20.6174.9-81.2-47.9000113.6A430 Y431 P453 F454A430-N433 PolarHBondContact O-N 2.68Å; A430-N433 VanDerWaalsContact O-N 3.17Å; Y431-N433 PolarHBondContact O-N 2.67Å; N433-P453 WeakPolarHBondContact OD1-CD 3.48Å; N433-F454 PolarHBondContact ND2-O 3.06Å; N433-F454 VanDerWaalsContact ND2-O 3.15Å; N433-F454 PolarHBondContact OD1-N 2.77Å; N433-F454 PolarHBondContact OD1-O 3.08Å
434A94.2Very high94.6Very high62 Ų6236 Ų3651%0.51220%0.199SC..Hα-helixtrans-80-36.7-179.600000113A430 Y431 G436A430-A434 WeakPolarHBondContact O-CB 3.24Å; A430-A434 PolarHBondContact O-N 2.75Å; Y431-A434 PolarHBondContact O-N 3.21Å; A434-G436 VanDerWaalsContact C-N 3.26Å; A434-G436 PolarHBondContact O-N 3.13Å
435Y95.3Very high94.5Very high23 Ų2337.3 Ų37.39%0.0921%0.211CC..  trans-9347.6179.5-67.8-65.2000112E126 P127 K130 Y431 E437 W438E126-Y435 HydrophobicContact CG-CE1 4.17Å; E126-Y435 PolarHBondContact OE1-OH 2.97Å; P127-Y435 HydrophobicContact CB-CD2 4.28Å; P127-Y435 HydrophobicContact CB-CG 4.19Å; P127-Y435 HydrophobicContact CG-CD1 3.83Å; P127-Y435 HydrophobicContact CG-CD2 4.41Å; P127-Y435 HydrophobicContact CG-CE1 4.36Å; P127-Y435 HydrophobicContact CG-CG 3.87Å; K130-Y435 HydrophobicContact CB-CE2 4.2Å; K130-Y435 WeakPolarHBondContact CE-OH 3.33Å; K130-Y435 HydrophobicContact CG-CE2 3.68Å; K130-Y435 VanDerWaalsContact CG-OH 3.28Å; K130-Y435 WeakPolarHBondContact CG-OH 3.45Å; Y431-Y435 HydrophobicContact CD1-CE2 4.32Å; Y431-Y435 HydrophobicContact CG-CE2 4.19Å; Y431-Y435 WeakPolarHBondContact O-CD2 3.48Å; Y431-Y435 PolarHBondContact O-N 2.89Å; Y431-Y435 VanDerWaalsContact O-N 3.11Å; Y435-E437 VanDerWaalsContact C-OE2 3.22Å; Y435-E437 WeakPolarHBondContact CA-OE2 3.26Å; Y435-E437 PolarHBondContact O-N 3.25Å; Y435-W438 AromaticContact CD1-CD1 3.85Å; Y435-W438 AromaticContact CD1-NE1 3.81Å; Y435-W438 PolarHBondContact O-N 3.43Å; Y435-W438 VanDerWaalsContact O-N 3.09Å
436G92.1Very high94.4Very high2 Ų239.2 Ų39.22%0.02122%0.223CC..G310 helixtrans-64.9-25.2-17500000114.1A434 W438 L439A434-G436 VanDerWaalsContact C-N 3.26Å; A434-G436 PolarHBondContact O-N 3.13Å; G436-W438 PolarHBondContact O-N 3.35Å; G436-L439 WeakPolarHBondContact O-CB 3.41Å; G436-L439 PolarHBondContact O-N 3.04Å
437E91.1Very high94.1Very high113 Ų11338.6 Ų38.653%0.52822%0.222SC..G310 helixtrans-76-3.7174.679.3-72.6-172.500114Y435Y435-E437 VanDerWaalsContact C-OE2 3.22Å; Y435-E437 WeakPolarHBondContact CA-OE2 3.26Å; Y435-E437 PolarHBondContact O-N 3.25Å
438W96.4Very high93.8Very high22 Ų2243.9 Ų43.98%0.08324%0.237CC..G310 helixtrans-1089.1174.7-55.378.9000112.4T125 P127 Y199 I220 L248 Y435 G436T125-W438 HydrophobicContact CG2-CH2 4.01Å; T125-W438 HydrophobicContact CG2-CZ3 3.76Å; P127-W438 HydrophobicContact CG-CB 4.42Å; P127-W438 HydrophobicContact CG-CD2 3.53Å; P127-W438 HydrophobicContact CG-CE3 4.06Å; P127-W438 HydrophobicContact CG-CG 3.7Å; P127-W438 HydrophobicContact CG-CZ2 4.14Å; Y199-W438 AromaticContact CD1-CZ3 3.89Å; Y199-W438 HydrophobicContact CD1-CZ3 3.89Å; Y199-W438 AromaticContact CD2-CE3 3.76Å; Y199-W438 HydrophobicContact CD2-CE3 3.76Å; Y199-W438 AromaticContact CD2-CZ3 3.78Å; Y199-W438 HydrophobicContact CD2-CZ3 3.78Å; Y199-W438 HydrophobicContact CE1-CE3 4.13Å; Y199-W438 AromaticContact CE1-CZ3 3.78Å; Y199-W438 HydrophobicContact CE1-CZ3 3.78Å; Y199-W438 HydrophobicContact CE2-CD2 4.38Å; Y199-W438 AromaticContact CE2-CE3 3.33Å; Y199-W438 HydrophobicContact CE2-CE3 3.33Å; Y199-W438 AromaticContact CE2-CZ3 3.69Å; Y199-W438 HydrophobicContact CE2-CZ3 3.69Å; Y199-W438 HydrophobicContact CG-CE3 4.34Å; Y199-W438 AromaticContact CG-CZ3 3.89Å; Y199-W438 HydrophobicContact CG-CZ3 3.89Å; Y199-W438 AromaticContact CZ-CE3 3.54Å; Y199-W438 AromaticContact CZ-CZ3 3.69Å; I220-W438 HydrophobicContact CG2-CB 3.7Å; L248-W438 PolarHBondContact N-O 2.91Å; Y435-W438 AromaticContact CD1-CD1 3.85Å; Y435-W438 AromaticContact CD1-NE1 3.81Å; Y435-W438 PolarHBondContact O-N 3.43Å; Y435-W438 VanDerWaalsContact O-N 3.09Å; G436-W438 PolarHBondContact O-N 3.35Å
439L96.4Very high93.5Very high1 Ų149.6 Ų49.61%0.00527%0.268CS..BIsolated β-bridgetrans-95.6175.1178.8-56.7-177.7000111.5I220 H246 L248 G436 K443 P453 F454I220-L439 HydrophobicContact CD1-CD2 3.93Å; I220-L439 HydrophobicContact CG1-CD2 4.06Å; H246-L439 CarbonylContact O-C 3.37Å; H246-L439 VanDerWaalsContact O-CA 3.29Å; H246-L439 WeakPolarHBondContact O-CA 3.34Å; H246-L439 VanDerWaalsContact O-CB 3.3Å; H246-L439 WeakPolarHBondContact O-CB 3.36Å; L248-L439 WeakPolarHBondContact CA-O 3.33Å; L248-L439 WeakPolarHBondContact CB-O 3.47Å; L248-L439 WeakPolarHBondContact CD1-O 3.24Å; L248-L439 VanDerWaalsContact N-C 3.28Å; G436-L439 WeakPolarHBondContact O-CB 3.41Å; G436-L439 PolarHBondContact O-N 3.04Å; L439-K443 HydrophobicContact CB-CB 3.75Å; L439-K443 HydrophobicContact CD1-CB 3.91Å; L439-K443 HydrophobicContact CG-CB 4.46Å; L439-P453 HydrophobicContact CD1-CB 3.44Å; L439-P453 VanDerWaalsContact CD1-CB 3.44Å; L439-P453 HydrophobicContact CD1-CG 3.85Å; L439-F454 HydrophobicContact CD1-CD2 4.44Å; L439-F454 HydrophobicContact CD1-CE2 3.74Å; L439-F454 HydrophobicContact CD1-CZ 4.49Å; L439-F454 HydrophobicContact CD2-CE2 4.08Å; L439-F454 HydrophobicContact CD2-CZ 4.33Å
440N95.1Very high93.1Very high8 Ų853.8 Ų53.84%0.04330%0.304CS..  trans-66.8161.3172.174.135.6000111.6Y244 S245 H246 V247 V442 K443 E444Y244-N440 HydrophobicContact CE1-CB 4.28Å; Y244-N440 VanDerWaalsContact CE1-ND2 3.33Å; Y244-N440 WeakPolarHBondContact CE1-ND2 3.25Å; Y244-N440 HydrophobicContact CE2-CB 4.45Å; S245-N440 PolarHBondContact O-ND2 2.71Å; H246-N440 PolarHBondContact O-N 2.99Å; V247-N440 WeakPolarHBondContact O-CB 3.38Å; N440-V442 PolarHBondContact O-N 3.45Å; N440-V442 WeakPolarHBondContact OD1-CA 3.42Å; N440-V442 WeakPolarHBondContact OD1-CB 3.21Å; N440-V442 PolarHBondContact OD1-N 3.49Å; N440-K443 PolarHBondContact O-N 2.99Å; N440-K443 VanDerWaalsContact O-N 3.13Å; N440-K443 WeakPolarHBondContact OD1-CB 3.47Å; N440-K443 WeakPolarHBondContact OD1-CG 3.48Å; N440-K443 PolarHBondContact OD1-N 3.18Å; N440-E444 WeakPolarHBondContact O-CB 3.29Å; N440-E444 PolarHBondContact O-N 2.77Å
441S94Very high92.9Very high72 Ų7256.2 Ų56.250%0.50331%0.309SS..Hα-helixtrans-56.8-32-178.450.80000113.9S445S441-S445 VanDerWaalsContact O-CB 3.22Å; S441-S445 WeakPolarHBondContact O-CB 3.36Å; S441-S445 PolarHBondContact O-N 3.33Å
442V93.5Very high92.7Very high38 Ų3855.1 Ų55.123%0.2332%0.315CS..Hα-helixtrans-67.5-49.4177176.40000110.5Y244 T382 N440 S445Y244-V442 WeakPolarHBondContact OH-CG2 3.37Å; T382-V442 HydrophobicContact CG2-CB 4.33Å; T382-V442 HydrophobicContact CG2-CG1 3.9Å; T382-V442 HydrophobicContact CG2-CG2 3.45Å; T382-V442 VanDerWaalsContact CG2-CG2 3.45Å; N440-V442 PolarHBondContact O-N 3.45Å; N440-V442 WeakPolarHBondContact OD1-CA 3.42Å; N440-V442 WeakPolarHBondContact OD1-CB 3.21Å; N440-V442 PolarHBondContact OD1-N 3.49Å; V442-S445 PolarHBondContact O-N 2.79Å; V442-S445 PolarHBondContact O-OG 3.43Å
443K93.9Very high92.6Very high30 Ų3055.5 Ų55.513%0.1332%0.318CS..Hα-helixtrans-68.4-38.9178.9-74.3-78.4-179.7169.30112.2E310 L439 N440 P453E310-K443 IonicContact OE1-NZ 3.36Å; E310-K443 PolarHBondContact OE1-NZ 3.26Å; E310-K443 IonicContact OE2-NZ 3.06Å; E310-K443 PolarHBondContact OE2-NZ 2.88Å; L439-K443 HydrophobicContact CB-CB 3.75Å; L439-K443 HydrophobicContact CD1-CB 3.91Å; L439-K443 HydrophobicContact CG-CB 4.46Å; N440-K443 PolarHBondContact O-N 2.99Å; N440-K443 VanDerWaalsContact O-N 3.13Å; N440-K443 WeakPolarHBondContact OD1-CB 3.47Å; N440-K443 WeakPolarHBondContact OD1-CG 3.48Å; N440-K443 PolarHBondContact OD1-N 3.18Å; K443-P453 HydrophobicContact CB-CB 4.28Å; K443-P453 HydrophobicContact CD-CB 4.17Å; K443-P453 WeakPolarHBondContact CD-O 3.45Å; K443-P453 WeakPolarHBondContact CE-O 2.9Å; K443-P453 PolarHBondContact NZ-O 2.57Å
444E93Very high92.7Very high59 Ų5954 Ų5428%0.27631%0.31SS..Hα-helixtrans-61.8-43.1171.2-168.2-147144.300110.8N440 V446 L447 Y448N440-E444 WeakPolarHBondContact O-CB 3.29Å; N440-E444 PolarHBondContact O-N 2.77Å; E444-V446 PolarHBondContact O-N 2.97Å; E444-L447 HydrophobicContact CG-CD1 4.24Å; E444-L447 VanDerWaalsContact O-CB 3.24Å; E444-L447 WeakPolarHBondContact O-CB 3.31Å; E444-L447 WeakPolarHBondContact O-CG 3.47Å; E444-L447 PolarHBondContact O-N 3.21Å; E444-Y448 WeakPolarHBondContact OE1-CE2 3.31Å; E444-Y448 PolarHBondContact OE1-OH 2.6Å
445S92.4Very high92.5Very high57 Ų5755.4 Ų55.440%0.39931%0.307SS..Hα-helixtrans-59.3-28-174.475.50000114.1S441 V442 L447 Y448S441-S445 VanDerWaalsContact O-CB 3.22Å; S441-S445 WeakPolarHBondContact O-CB 3.36Å; S441-S445 PolarHBondContact O-N 3.33Å; V442-S445 PolarHBondContact O-N 2.79Å; V442-S445 PolarHBondContact O-OG 3.43Å; S445-L447 PolarHBondContact O-N 2.66Å; S445-Y448 PolarHBondContact O-N 3.18Å
446V91.4Very high92.3Very high40 Ų4054.3 Ų54.324%0.24230%0.303CS..G310 helixtrans-62.2-31.3177.1178.70000111.7E444 Y448 N449 D451E444-V446 PolarHBondContact O-N 2.97Å; V446-Y448 VanDerWaalsContact C-N 3.29Å; V446-Y448 PolarHBondContact O-N 3.24Å; V446-N449 WeakPolarHBondContact O-CB 3.28Å; V446-N449 PolarHBondContact O-N 2.86Å; V446-N449 VanDerWaalsContact O-N 3.09Å; V446-D451 HydrophobicContact CG1-CB 3.35Å; V446-D451 PolarHBondContact O-N 2.83Å
447L88.9Confident92.2Very high68 Ų6859.3 Ų59.336%0.35633%0.326SS..G310 helixtrans-63.1-32177.9-59.9167.8000112.8E444 S445 N449 A450 P453E444-L447 HydrophobicContact CG-CD1 4.24Å; E444-L447 VanDerWaalsContact O-CB 3.24Å; E444-L447 WeakPolarHBondContact O-CB 3.31Å; E444-L447 WeakPolarHBondContact O-CG 3.47Å; E444-L447 PolarHBondContact O-N 3.21Å; S445-L447 PolarHBondContact O-N 2.66Å; L447-N449 PolarHBondContact O-N 3.25Å; L447-A450 WeakPolarHBondContact O-CA 3.16Å; L447-A450 PolarHBondContact O-N 3.03Å; L447-P453 HydrophobicContact CD2-CG 3.63Å; L447-P453 HydrophobicContact CG-CG 4.02Å
448Y89.1Confident92.1Very high162 Ų16257.4 Ų57.464%0.63533%0.325SS*.G310 helixtrans-68.5-18.2178-60.9-68.3000112.6E444 S445 V446 A450E444-Y448 WeakPolarHBondContact OE1-CE2 3.31Å; E444-Y448 PolarHBondContact OE1-OH 2.6Å; S445-Y448 PolarHBondContact O-N 3.18Å; V446-Y448 VanDerWaalsContact C-N 3.29Å; V446-Y448 PolarHBondContact O-N 3.24Å; Y448-A450 VanDerWaalsContact C-N 3.33Å
449N90.2Very high91.8Very high121 Ų12156.9 Ų56.965%0.64732%0.324SS*.G310 helixtrans-88.91.1170.3-58.6-38.1000112.9V446 L447 D451V446-N449 WeakPolarHBondContact O-CB 3.28Å; V446-N449 PolarHBondContact O-N 2.86Å; V446-N449 VanDerWaalsContact O-N 3.09Å; L447-N449 PolarHBondContact O-N 3.25Å; N449-D451 PolarHBondContact O-N 3.17Å
450A88.2Confident91.5Very high96 Ų9659.2 Ų59.279%0.79334%0.336SS*.THydrogen-bonded Turntrans62.318.1-168.900000115.2L447 Y448L447-A450 WeakPolarHBondContact O-CA 3.16Å; L447-A450 PolarHBondContact O-N 3.03Å; Y448-A450 VanDerWaalsContact C-N 3.33Å
451D90.5Very high91.1Very high104 Ų10465.4 Ų65.456%0.55637%0.365SS*.  trans-87.3159.3173-80.9-47.3000111.5V446 N449V446-D451 HydrophobicContact CG1-CB 3.35Å; V446-D451 PolarHBondContact O-N 2.83Å; N449-D451 PolarHBondContact O-N 3.17Å
452A92.1Very high90.7Very high48 Ų4866.1 Ų66.140%0.39737%0.369SS..  trans-84133.6177.600000111.5F454A452-F454 PolarHBondContact O-N 3.07Å; A452-F454 VanDerWaalsContact O-N 3.15Å
453P93.5Very high90.2Very high8 Ų866.2 Ų66.25%0.05238%0.377CS..SBendtrans-56.9-31.8-179.4-2835.4000114.6N433 L439 K443 L447N433-P453 WeakPolarHBondContact OD1-CD 3.48Å; L439-P453 HydrophobicContact CD1-CB 3.44Å; L439-P453 VanDerWaalsContact CD1-CB 3.44Å; L439-P453 HydrophobicContact CD1-CG 3.85Å; K443-P453 HydrophobicContact CB-CB 4.28Å; K443-P453 HydrophobicContact CD-CB 4.17Å; K443-P453 WeakPolarHBondContact CD-O 3.45Å; K443-P453 WeakPolarHBondContact CE-O 2.9Å; K443-P453 PolarHBondContact NZ-O 2.57Å; L447-P453 HydrophobicContact CD2-CG 3.63Å; L447-P453 HydrophobicContact CG-CG 4.02Å
454F94.3Very high89.9Confident0 Ų068.1 Ų68.10%039%0.386CS..SBendtrans-118.3127.9173.7-58.8-91.8000111H246 F306 E310 S432 N433 L439 A452 F456H246-F454 HydrophobicContact CB-CE1 3.83Å; H246-F454 HydrophobicContact CB-CZ 3.58Å; H246-F454 AromaticContact CD2-CZ 3.65Å; H246-F454 AromaticContact CG-CZ 3.69Å; F306-F454 HydrophobicContact CB-CD1 4.39Å; F306-F454 HydrophobicContact CB-CE1 3.77Å; F306-F454 HydrophobicContact CB-CZ 4.2Å; E310-F454 WeakPolarHBondContact OE1-CD1 3.46Å; S432-F454 WeakPolarHBondContact O-CD2 3.33Å; S432-F454 WeakPolarHBondContact O-CE2 3.13Å; N433-F454 PolarHBondContact ND2-O 3.06Å; N433-F454 VanDerWaalsContact ND2-O 3.15Å; N433-F454 PolarHBondContact OD1-N 2.77Å; N433-F454 PolarHBondContact OD1-O 3.08Å; L439-F454 HydrophobicContact CD1-CD2 4.44Å; L439-F454 HydrophobicContact CD1-CE2 3.74Å; L439-F454 HydrophobicContact CD1-CZ 4.49Å; L439-F454 HydrophobicContact CD2-CE2 4.08Å; L439-F454 HydrophobicContact CD2-CZ 4.33Å; A452-F454 PolarHBondContact O-N 3.07Å; A452-F454 VanDerWaalsContact O-N 3.15Å; F454-F456 HydrophobicContact CB-CD1 4.28Å; F454-F456 HydrophobicContact CB-CD2 3.42Å; F454-F456 VanDerWaalsContact CB-CD2 3.42Å; F454-F456 HydrophobicContact CB-CE1 4.25Å; F454-F456 HydrophobicContact CB-CE2 3.4Å; F454-F456 HydrophobicContact CB-CG 3.88Å; F454-F456 HydrophobicContact CB-CZ 3.82Å; F454-F456 HydrophobicContact CD1-CD2 4.5Å; F454-F456 HydrophobicContact CD1-CE1 4.31Å; F454-F456 AromaticContact CD1-CE2 3.61Å; F454-F456 HydrophobicContact CD1-CE2 3.61Å; F454-F456 AromaticContact CD1-CZ 3.48Å; F454-F456 HydrophobicContact CD1-CZ 3.48Å; F454-F456 VanDerWaalsContact CD1-CZ 3.48Å; F454-F456 HydrophobicContact CD2-CE2 4.28Å; F454-F456 HydrophobicContact CE1-CE2 4.4Å; F454-F456 HydrophobicContact CE1-CZ 4.26Å; F454-F456 HydrophobicContact CG-CD2 4.05Å; F454-F456 AromaticContact CG-CE2 3.52Å; F454-F456 HydrophobicContact CG-CE2 3.52Å; F454-F456 AromaticContact CG-CZ 3.87Å; F454-F456 HydrophobicContact CG-CZ 3.87Å; F454-F456 PolarHBondContact O-N 2.91Å
455I91Very high89.9Confident91 Ų9165.4 Ų65.447%0.46737%0.373SS..THydrogen-bonded Turntrans-70.19.6-17856.5162.1000114.5Q457 S458 L459I455-Q457 PolarHBondContact O-N 3.3Å; I455-Q457 VanDerWaalsContact O-N 3.17Å; I455-S458 WeakPolarHBondContact O-CB 3.45Å; I455-S458 PolarHBondContact O-N 2.72Å; I455-L459 HydrophobicContact CD1-CD1 3.91Å; I455-L459 HydrophobicContact CD1-CD2 4.42Å; I455-L459 HydrophobicContact CD1-CG 4.19Å; I455-L459 HydrophobicContact CG1-CD1 3.75Å; I455-L459 HydrophobicContact CG1-CG 4.27Å; I455-L459 WeakPolarHBondContact O-CG 3.4Å; I455-L459 PolarHBondContact O-N 3.12Å
456F92Very high89.8Confident1 Ų164.7 Ų64.70%0.00437%0.366CS..Hα-helixtrans-51.3-39.5-178.6-56.9-33.3000113.3F306 L309 E310 L429 F454 L459 L460 L465F306-F456 HydrophobicContact CB-CE2 4.32Å; F306-F456 HydrophobicContact CB-CZ 3.97Å; F306-F456 AromaticContact CD1-CE2 3.72Å; F306-F456 HydrophobicContact CD1-CE2 3.72Å; F306-F456 AromaticContact CD1-CZ 3.98Å; F306-F456 HydrophobicContact CD1-CZ 3.98Å; F306-F456 HydrophobicContact CE1-CE2 4.43Å; F306-F456 HydrophobicContact CG-CE2 4.26Å; F306-F456 HydrophobicContact CG-CZ 4.35Å; L309-F456 HydrophobicContact CB-CE1 3.96Å; L309-F456 HydrophobicContact CB-CZ 4.49Å; L309-F456 HydrophobicContact CD1-CE1 4.19Å; L309-F456 HydrophobicContact CD1-CZ 4.35Å; E310-F456 HydrophobicContact CG-CE1 4Å; L429-F456 HydrophobicContact CB-CD2 4.44Å; L429-F456 HydrophobicContact CD2-CB 4.24Å; L429-F456 HydrophobicContact CD2-CD1 4.43Å; L429-F456 HydrophobicContact CD2-CD2 3.47Å; L429-F456 VanDerWaalsContact CD2-CD2 3.47Å; L429-F456 HydrophobicContact CD2-CE2 3.85Å; L429-F456 HydrophobicContact CD2-CG 3.81Å; L429-F456 HydrophobicContact CD2-CZ 4.49Å; F454-F456 HydrophobicContact CB-CD1 4.28Å; F454-F456 HydrophobicContact CB-CD2 3.42Å; F454-F456 VanDerWaalsContact CB-CD2 3.42Å; F454-F456 HydrophobicContact CB-CE1 4.25Å; F454-F456 HydrophobicContact CB-CE2 3.4Å; F454-F456 HydrophobicContact CB-CG 3.88Å; F454-F456 HydrophobicContact CB-CZ 3.82Å; F454-F456 HydrophobicContact CD1-CD2 4.5Å; F454-F456 HydrophobicContact CD1-CE1 4.31Å; F454-F456 AromaticContact CD1-CE2 3.61Å; F454-F456 HydrophobicContact CD1-CE2 3.61Å; F454-F456 AromaticContact CD1-CZ 3.48Å; F454-F456 HydrophobicContact CD1-CZ 3.48Å; F454-F456 VanDerWaalsContact CD1-CZ 3.48Å; F454-F456 HydrophobicContact CD2-CE2 4.28Å; F454-F456 HydrophobicContact CE1-CE2 4.4Å; F454-F456 HydrophobicContact CE1-CZ 4.26Å; F454-F456 HydrophobicContact CG-CD2 4.05Å; F454-F456 AromaticContact CG-CE2 3.52Å; F454-F456 HydrophobicContact CG-CE2 3.52Å; F454-F456 AromaticContact CG-CZ 3.87Å; F454-F456 HydrophobicContact CG-CZ 3.87Å; F454-F456 PolarHBondContact O-N 2.91Å; F456-L459 HydrophobicContact CD1-CD1 4.31Å; F456-L459 PolarHBondContact O-N 3.47Å; F456-L460 WeakPolarHBondContact O-CB 3.4Å; F456-L460 VanDerWaalsContact O-CG 3.24Å; F456-L460 WeakPolarHBondContact O-CG 3.4Å; F456-L460 PolarHBondContact O-N 2.86Å; F456-L465 HydrophobicContact CB-CD2 4.44Å; F456-L465 HydrophobicContact CD1-CD2 4.47Å
457Q88.3Confident89.9Confident106 Ų10663.2 Ų63.250%0.49536%0.358SS..Hα-helixtrans-66-40.6178.9179.463.3-6.900112.2I455 L460 Q461I455-Q457 PolarHBondContact O-N 3.3Å; I455-Q457 VanDerWaalsContact O-N 3.17Å; Q457-L460 PolarHBondContact O-N 2.63Å; Q457-Q461 VanDerWaalsContact O-CG 3.29Å; Q457-Q461 WeakPolarHBondContact O-CG 3.09Å; Q457-Q461 PolarHBondContact O-N 3.38Å
458S88.9Confident90Very high73 Ų7360.1 Ų60.151%0.5134%0.342SS..Hα-helixtrans-68.3-37.5175.2-51.20000111.6I455 Q461 C462I455-S458 WeakPolarHBondContact O-CB 3.45Å; I455-S458 PolarHBondContact O-N 2.72Å; S458-Q461 PolarHBondContact O-N 3.2Å; S458-C462 PolarHBondContact O-N 2.64Å; S458-C462 PolarHBondContact O-SG 3.06Å; S458-C462 VanDerWaalsContact O-SG 3.34Å
459L90.3Very high89.9Confident11 Ų1157.5 Ų57.56%0.05833%0.334CS..Hα-helixtrans-67.1-35.5176.4-67.7163.9000113I313 I455 F456 G463 K464 L465I313-L459 HydrophobicContact CD1-CD1 3.37Å; I313-L459 HydrophobicContact CD1-CD2 3.97Å; I313-L459 HydrophobicContact CD1-CG 4.28Å; I313-L459 HydrophobicContact CG2-CD2 4.48Å; I455-L459 HydrophobicContact CD1-CD1 3.91Å; I455-L459 HydrophobicContact CD1-CD2 4.42Å; I455-L459 HydrophobicContact CD1-CG 4.19Å; I455-L459 HydrophobicContact CG1-CD1 3.75Å; I455-L459 HydrophobicContact CG1-CG 4.27Å; I455-L459 WeakPolarHBondContact O-CG 3.4Å; I455-L459 PolarHBondContact O-N 3.12Å; F456-L459 HydrophobicContact CD1-CD1 4.31Å; F456-L459 PolarHBondContact O-N 3.47Å; L459-G463 PolarHBondContact O-N 2.94Å; L459-K464 HydrophobicContact CD2-CB 3.93Å; L459-K464 HydrophobicContact CD2-CD 4.08Å; L459-K464 PolarHBondContact O-N 2.95Å; L459-K464 VanDerWaalsContact O-N 3.09Å; L459-L465 HydrophobicContact CB-CB 3.77Å; L459-L465 HydrophobicContact CB-CD2 4.46Å; L459-L465 PolarHBondContact O-N 2.93Å
460L90.1Very high89.6Confident50 Ų5052.8 Ų52.826%0.26231%0.31SS..Hα-helixtrans-68.4-39.9171.8-73.3164.1000111.5L429 F456 Q457 G463 L465 A467L429-L460 HydrophobicContact CD1-CD1 4.33Å; F456-L460 WeakPolarHBondContact O-CB 3.4Å; F456-L460 VanDerWaalsContact O-CG 3.24Å; F456-L460 WeakPolarHBondContact O-CG 3.4Å; F456-L460 PolarHBondContact O-N 2.86Å; Q457-L460 PolarHBondContact O-N 2.63Å; L460-G463 PolarHBondContact O-N 3.19Å; L460-L465 HydrophobicContact CD2-CB 4.48Å; L460-L465 HydrophobicContact CD2-CD2 4.39Å; L460-L465 HydrophobicContact CD2-CG 4.11Å; L460-L465 HydrophobicContact CG-CD2 4.26Å; L460-L465 HydrophobicContact CG-CG 4.4Å; L460-A467 HydrophobicContact CD2-CB 3.73Å
461Q87.9Confident89.1Confident139 Ų13948.7 Ų48.765%0.6528%0.275SS*.Hα-helixtrans-68.8-39.2178.6-73.3173.321.900113Q457 S458 G463Q457-Q461 VanDerWaalsContact O-CG 3.29Å; Q457-Q461 WeakPolarHBondContact O-CG 3.09Å; Q457-Q461 PolarHBondContact O-N 3.38Å; S458-Q461 PolarHBondContact O-N 3.2Å; Q461-G463 VanDerWaalsContact C-N 3.32Å
462C85.8Confident88.1Confident86 Ų8647.4 Ų47.458%0.58126%0.263SS*.THydrogen-bonded Turntrans-84.8-2.4177.374.80000114.1S458 K464S458-C462 PolarHBondContact O-N 2.64Å; S458-C462 PolarHBondContact O-SG 3.06Å; S458-C462 VanDerWaalsContact O-SG 3.34Å; C462-K464 VanDerWaalsContact C-N 3.28Å; C462-K464 PolarHBondContact O-N 2.85Å
463G82.8Confident86.8Confident40 Ų4046.4 Ų46.441%0.41225%0.251SS..THydrogen-bonded Turntrans72.510.9178.400000115.5L459 L460 Q461 L465L459-G463 PolarHBondContact O-N 2.94Å; L460-G463 PolarHBondContact O-N 3.19Å; Q461-G463 VanDerWaalsContact C-N 3.32Å; G463-L465 VanDerWaalsContact C-N 3.3Å
464K87.4Confident84.6Confident71 Ų7147.8 Ų47.831%0.30926%0.26SS..SBendtrans-65.7-36.6168.8-82.8-160.1-178.9-166.90111.4D317 I418 L459 C462D317-K464 IonicContact OD1-NZ 2.67Å; D317-K464 PolarHBondContact OD1-NZ 2.77Å; D317-K464 IonicContact OD2-NZ 3.12Å; D317-K464 PolarHBondContact OD2-NZ 3.47Å; I418-K464 PolarHBondContact N-O 3.23Å; L459-K464 HydrophobicContact CD2-CB 3.93Å; L459-K464 HydrophobicContact CD2-CD 4.08Å; L459-K464 PolarHBondContact O-N 2.95Å; L459-K464 VanDerWaalsContact O-N 3.09Å; C462-K464 VanDerWaalsContact C-N 3.28Å; C462-K464 PolarHBondContact O-N 2.85Å
465L92.1Very high82.2Confident2 Ų251.4 Ų51.41%0.0129%0.286CS..EExtended strand (participates in β ladder)trans-111.5135.7174.9-179.261.4000109.5L309 I418 F420 L429 F456 L459 L460 G463L309-L465 HydrophobicContact CD2-CD1 4.14Å; I418-L465 HydrophobicContact CB-CD1 4.18Å; I418-L465 HydrophobicContact CG2-CD1 3.89Å; I418-L465 CarbonylContact O-C 3.52Å; I418-L465 WeakPolarHBondContact O-CA 3.47Å; F420-L465 HydrophobicContact CB-CD1 4.22Å; L429-L465 HydrophobicContact CD1-CD2 4.32Å; F456-L465 HydrophobicContact CB-CD2 4.44Å; F456-L465 HydrophobicContact CD1-CD2 4.47Å; L459-L465 HydrophobicContact CB-CB 3.77Å; L459-L465 HydrophobicContact CB-CD2 4.46Å; L459-L465 PolarHBondContact O-N 2.93Å; L460-L465 HydrophobicContact CD2-CB 4.48Å; L460-L465 HydrophobicContact CD2-CD2 4.39Å; L460-L465 HydrophobicContact CD2-CG 4.11Å; L460-L465 HydrophobicContact CG-CD2 4.26Å; L460-L465 HydrophobicContact CG-CG 4.4Å; G463-L465 VanDerWaalsContact C-N 3.3Å
466V91.8Very high79.7Confident42 Ų4250 Ų5026%0.25528%0.284SS..EExtended strand (participates in β ladder)trans-127.5102.2178.7-176.20000108.8I418 F419 F420 L468I418-V466 PolarHBondContact O-N 2.83Å; F419-V466 WeakPolarHBondContact CA-O 3.42Å; F419-V466 HydrophobicContact CD1-CB 3.71Å; F419-V466 HydrophobicContact CD1-CG1 3.82Å; F419-V466 HydrophobicContact CD1-CG2 4.49Å; F419-V466 HydrophobicContact CE1-CB 3.92Å; F419-V466 HydrophobicContact CE1-CG1 3.84Å; F419-V466 HydrophobicContact CE1-CG2 4.28Å; F419-V466 HydrophobicContact CG-CB 4.46Å; F420-V466 PolarHBondContact N-O 2.99Å; V466-L468 HydrophobicContact CG1-CD2 4.04Å; V466-L468 HydrophobicContact CG1-CG 4.21Å
467A92.4Very high76.9Confident8 Ų855.4 Ų55.47%0.06632%0.322CS..EExtended strand (participates in β ladder)trans-80.3129.6173.200000110.5F420 V425 L429 L460F420-A467 WeakPolarHBondContact O-CA 3.37Å; V425-A467 HydrophobicContact CG1-CB 3.91Å; V425-A467 HydrophobicContact CG2-CB 3.78Å; L429-A467 HydrophobicContact CD1-CB 4.35Å; L460-A467 HydrophobicContact CD2-CB 3.73Å
468L90.7Very high74.1Confident3 Ų358.9 Ų58.92%0.01633%0.33CS..EExtended strand (participates in β ladder)trans-129133.7177.8-60.7176.4000109.7F419 F420 I421 S422 V466 S470 D473 L499F419-L468 HydrophobicContact CD1-CD1 3.87Å; F419-L468 HydrophobicContact CD1-CG 4.48Å; F419-L468 HydrophobicContact CE1-CD1 4.39Å; F420-L468 PolarHBondContact O-N 2.69Å; I421-L468 WeakPolarHBondContact CA-O 3.35Å; I421-L468 HydrophobicContact CG1-CB 4.4Å; I421-L468 HydrophobicContact CG1-CD1 4.44Å; S422-L468 PolarHBondContact N-O 2.81Å; V466-L468 HydrophobicContact CG1-CD2 4.04Å; V466-L468 HydrophobicContact CG1-CG 4.21Å; L468-S470 VanDerWaalsContact C-N 3.32Å; L468-D473 HydrophobicContact CB-CB 4.29Å; L468-D473 HydrophobicContact CD2-CB 4.29Å; L468-L499 HydrophobicContact CD1-CD1 4.2Å
469K88.5Confident71.2Confident107 Ų10765 Ų6547%0.46535%0.348SS..SBendtrans-73.8-25.3177.2-67.6-171.7174.2-169.30113.7S422 N423 D473S422-K469 CarbonylContact C-O 3.53Å; S422-K469 WeakPolarHBondContact O-CA 3.28Å; N423-K469 VanDerWaalsContact CA-O 3.27Å; N423-K469 WeakPolarHBondContact CA-O 3.48Å; N423-K469 PolarHBondContact N-O 3.04Å; K469-D473 WeakPolarHBondContact CB-OD2 3.43Å; K469-D473 PolarHBondContact N-OD2 2.74Å
470S83.7Confident68.3Low23 Ų2372.1 Ų72.116%0.16139%0.385CS..SBendtrans-157.2160.9-1761790000109.7L468 Y472 D473L468-S470 VanDerWaalsContact C-N 3.32Å; S470-Y472 PolarHBondContact O-N 3.43Å; S470-Y472 VanDerWaalsContact O-N 3.11Å; S470-Y472 WeakPolarHBondContact OG-CD2 3.28Å; S470-Y472 PolarHBondContact OG-N 2.71Å; S470-D473 WeakPolarHBondContact O-CB 3.34Å; S470-D473 PolarHBondContact O-N 2.76Å
471L77.6Confident65.3Low9 Ų976.5 Ų76.55%0.04741%0.408CS..THydrogen-bonded Turntrans-58.1-20.4171.2-70.9163.4000113.1H41 I421 S497 L499 P578 H581 L582H41-L471 WeakPolarHBondContact NE2-CD1 3.48Å; I421-L471 HydrophobicContact CD1-CD2 4.16Å; L471-S497 WeakPolarHBondContact O-CB 3.38Å; L471-S497 PolarHBondContact O-OG 3.22Å; L471-L499 HydrophobicContact CD2-CD1 4.33Å; L471-P578 HydrophobicContact CD1-CB 3.7Å; L471-P578 HydrophobicContact CD2-CB 4.26Å; L471-P578 HydrophobicContact CG-CB 3.8Å; L471-H581 HydrophobicContact CD1-CB 3.86Å; L471-L582 HydrophobicContact CD2-CD1 4.19Å; L471-L582 HydrophobicContact CD2-CD2 3.87Å; L471-L582 HydrophobicContact CD2-CG 4.02Å
472Y68.7Low62.4Low77 Ų7774.5 Ų74.530%0.30241%0.409SS..THydrogen-bonded Turntrans-93-1.2177.2-48.1-66.5000114.3Q42 L43 S470 C474 L500Q42-Y472 PolarHBondContact O-OH 3.15Å; L43-Y472 WeakPolarHBondContact CA-OH 3.37Å; S470-Y472 PolarHBondContact O-N 3.43Å; S470-Y472 VanDerWaalsContact O-N 3.11Å; S470-Y472 WeakPolarHBondContact OG-CD2 3.28Å; S470-Y472 PolarHBondContact OG-N 2.71Å; Y472-C474 PolarHBondContact O-N 2.84Å; Y472-C474 VanDerWaalsContact O-N 3.08Å; Y472-C474 PolarHBondContact O-SG 2.87Å; Y472-L500 HydrophobicContact CD1-CD1 4.35Å
473D64.9Low59.5Low28 Ų2878 Ų7815%0.1542%0.422CS..  trans-69.1107.2-168.1-167.6-16000112.8L468 K469 S470 S475L468-D473 HydrophobicContact CB-CB 4.29Å; L468-D473 HydrophobicContact CD2-CB 4.29Å; K469-D473 WeakPolarHBondContact CB-OD2 3.43Å; K469-D473 PolarHBondContact N-OD2 2.74Å; S470-D473 WeakPolarHBondContact O-CB 3.34Å; S470-D473 PolarHBondContact O-N 2.76Å; D473-S475 VanDerWaalsContact C-N 3.26Å; D473-S475 PolarHBondContact O-N 3Å; D473-S475 VanDerWaalsContact OD1-CB 3.27Å; D473-S475 WeakPolarHBondContact OD1-CB 3.2Å; D473-S475 PolarHBondContact OD1-N 2.72Å; D473-S475 PolarHBondContact OD1-OG 3.3Å
474C48.6Very low56.9Low36 Ų3681.7 Ų81.724%0.24344%0.441CS..  trans-89.652.9179.1-61.40000111.6Y472 S476 L495Y472-C474 PolarHBondContact O-N 2.84Å; Y472-C474 VanDerWaalsContact O-N 3.08Å; Y472-C474 PolarHBondContact O-SG 2.87Å; C474-S476 PolarHBondContact O-N 2.62Å; C474-S476 PolarHBondContact O-OG 3.07Å; C474-S476 VanDerWaalsContact O-OG 3.06Å; C474-L495 HydrophobicContact CB-CB 4.11Å; C474-L495 VanDerWaalsContact SG-C 3.51Å
475S42.8Very low54Low77 Ų7783.9 Ų83.954%0.53847%0.466SS..  trans-73.451.2-175.4-85.60000115.5D473D473-S475 VanDerWaalsContact C-N 3.26Å; D473-S475 PolarHBondContact O-N 3Å; D473-S475 VanDerWaalsContact OD1-CB 3.27Å; D473-S475 WeakPolarHBondContact OD1-CB 3.2Å; D473-S475 PolarHBondContact OD1-N 2.72Å; D473-S475 PolarHBondContact OD1-OG 3.3Å
476S38.1Very low51Low60 Ų6090.7 Ų90.742%0.4251%0.508SS..  trans42.899.1133.2-67.90000118.2C474 R478C474-S476 PolarHBondContact O-N 2.62Å; C474-S476 PolarHBondContact O-OG 3.07Å; C474-S476 VanDerWaalsContact O-OG 3.06Å; S476-R478 PolarHBondContact O-N 3.3Å; S476-R478 PolarHBondContact OG-NE 3.42Å; S476-R478 PolarHBondContact OG-NH2 2.94Å
477S33.2Very low47.9Very low115 Ų11595.1 Ų95.180%0.80454%0.535SS*.SBendtrans-64.528.5165-40.20000115.1K479S477-K479 PolarHBondContact O-N 2.92Å
478R29.1Very low44.8Very low180 Ų180102 Ų10268%0.67957%0.571SS**G310 helixtrans-80.3-7.7-172.1-93.3-177-78.5-164-4.1115.2S476S476-R478 PolarHBondContact O-N 3.3Å; S476-R478 PolarHBondContact OG-NE 3.42Å; S476-R478 PolarHBondContact OG-NH2 2.94Å
479K28.4Very low41.7Very low202 Ų202111.8 Ų111.888%0.87861%0.607SS**G310 helixtrans-90.31.3-177.3-85.9-169.2172.1-174.70115.9S477S477-K479 PolarHBondContact O-N 2.92Å
480L30.3Very low38.7Very low160 Ų160117.6 Ų117.684%0.83863%0.628SS**G310 helixtrans-117.38.3178-81.2166.6000114.1
481L27.3Very low36Very low142 Ų142120.8 Ų120.874%0.74365%0.65SS**SBendtrans-136.99.1-174.9-75.6170.8000114.2D483L481-D483 VanDerWaalsContact C-N 3.3Å; L481-D483 PolarHBondContact O-N 3.42Å
482S26.5Very low33.5Very low96 Ų96126 Ų12667%0.67169%0.687SS**  trans-91.839.3-176.465.20000114.1
483D25.3Very low31.6Very low159 Ų159129.7 Ų129.785%0.8571%0.707SS**SBendtrans-131.651.1174-106.8-30.8000111.5L481L481-D483 VanDerWaalsContact C-N 3.3Å; L481-D483 PolarHBondContact O-N 3.42Å
484S27.7Very low30Very low118 Ų118135.7 Ų135.783%0.82574%0.737SS**SBendtrans-158.3139.4160.1-86.40000111.7
485S26.5Very low29Very low118 Ų118140.6 Ų140.683%0.82576%0.76SS**  trans-86.3113.8-174.655.70000112.9
486T29.1Very low28.7Very low144 Ų144139.7 Ų139.788%0.88375%0.752SS**  trans-160130.2140.213.50000111.1
487V27.4Very low28.7Very low136 Ų136136.9 Ų136.982%0.82473%0.732SS**  trans-89.2124170175.70000108.8
488N26.8Very low29.3Very low153 Ų153134.4 Ų134.482%0.81871%0.713SS**  trans-145.5157.7155.6-143.9-13.8000111.8
489R25.8Very low30.2Very low207 Ų207126.3 Ų126.378%0.78168%0.683SS**  trans-103.6176.8-176.5-65.1176.4179155-0.3110.6
490Y25.5Very low31.2Very low230 Ų230118 Ų11890%0.90265%0.648SS**  trans70.4132.4-174.3-42.7-78.2000112.6
491S26.6Very low31.5Very low89 Ų89114.9 Ų114.962%0.62263%0.632SS**  cis-134.415819.6-172.20000112.9H493S491-H493 PolarHBondContact O-N 2.98Å; S491-H493 PolarHBondContact OG-CD2 3.27Å; S491-H493 VanDerWaalsContact OG-CD2 3.27Å; S491-H493 PolarHBondContact OG-NE2 2.79Å; S491-H493 VanDerWaalsContact OG-NE2 3.12Å
492S24.7Very low31.8Very low118 Ų118110.9 Ų110.983%0.82563%0.625SS**  trans-9486.4173.955.60000111.1
493H29.4Very low32Very low155 Ų155110.9 Ų110.972%0.71862%0.621SS**  trans-107.1152.8166.4-69.2-70.6000111S491 L495S491-H493 PolarHBondContact O-N 2.98Å; S491-H493 PolarHBondContact OG-CD2 3.27Å; S491-H493 VanDerWaalsContact OG-CD2 3.27Å; S491-H493 PolarHBondContact OG-NE2 2.79Å; S491-H493 VanDerWaalsContact OG-NE2 3.12Å; H493-L495 PolarHBondContact O-N 3.19Å
494I30.4Very low32.1Very low155 Ų155106.7 Ų106.780%0.79562%0.616SS**  trans-61.4125-166.8-60.2165.9000110T496I494-T496 HydrophobicContact CG2-CG2 4.18Å
495L28.7Very low32.1Very low138 Ų138108.5 Ų108.572%0.72362%0.616SS**  trans-82.1117.2171.7-66167.5000108.3C474 H493C474-L495 HydrophobicContact CB-CB 4.11Å; C474-L495 VanDerWaalsContact SG-C 3.51Å; H493-L495 PolarHBondContact O-N 3.19Å
496T35.8Very low32.2Very low59 Ų59108.8 Ų108.836%0.36262%0.618SS.*  trans-119.7150.5170.440.90000111.4I494I494-T496 HydrophobicContact CG2-CG2 4.18Å
497S39.1Very low32Very low0 Ų0107.2 Ų107.20%061%0.608CS.*  trans-59.7155-175168.60000113.7L471 L499 L500L471-S497 WeakPolarHBondContact O-CB 3.38Å; L471-S497 PolarHBondContact O-OG 3.22Å; S497-L499 PolarHBondContact O-N 2.97Å; S497-L499 PolarHBondContact OG-N 2.9Å; S497-L500 PolarHBondContact O-N 2.89Å
498P44.6Very low31.9Very low63 Ų63106.5 Ų106.541%0.40961%0.61SS.*THydrogen-bonded Turntrans-54.3-20.4171.1-2635.4000115.1
499L49.3Very low32Very low10 Ų10105 Ų1055%0.05261%0.611CS.*THydrogen-bonded Turntrans-94.910.1177.1-55.7177.7000113.2F419 I421 L468 L471 S497 I559 P561F419-L499 HydrophobicContact CD1-CD2 4.4Å; F419-L499 HydrophobicContact CD2-CD2 4.41Å; F419-L499 HydrophobicContact CE1-CD2 4.13Å; F419-L499 HydrophobicContact CE2-CD2 4.15Å; F419-L499 HydrophobicContact CZ-CD2 4Å; I421-L499 HydrophobicContact CD1-CD1 3.6Å; L468-L499 HydrophobicContact CD1-CD1 4.2Å; L471-L499 HydrophobicContact CD2-CD1 4.33Å; S497-L499 PolarHBondContact O-N 2.97Å; S497-L499 PolarHBondContact OG-N 2.9Å; L499-I559 CarbonylContact C-O 3.53Å; L499-P561 HydrophobicContact CD2-CG 3.82Å
500L47.9Very low31.9Very low27 Ų27101.3 Ų101.314%0.14162%0.617CS.*SBendtrans-133.88.5-175.7-63.7178000113.6Y472 S497 G502 I559Y472-L500 HydrophobicContact CD1-CD1 4.35Å; S497-L500 PolarHBondContact O-N 2.89Å; L500-G502 PolarHBondContact O-N 3.19Å; L500-I559 PolarHBondContact N-O 2.71Å
501L37.1Very low31.9Very low96 Ų9694.3 Ų94.350%0.50361%0.614SS.*  trans-91.1110.8-156.7-159.881.4000115.2T503 I559L501-T503 PolarHBondContact O-N 2.92Å; L501-I559 PolarHBondContact N-O 2.65Å; L501-I559 WeakPolarHBondContact O-CB 3.38Å; L501-I559 WeakPolarHBondContact O-CG2 3.43Å
502G33.5Very low31.8Very low58 Ų5893.6 Ų93.660%0.59862%0.622SS**PPolyproline II helixtrans-59.8120.6176.500000115.7L500L500-G502 PolarHBondContact O-N 3.19Å
503T30.5Very low31.9Very low95 Ų9599.5 Ų99.558%0.58363%0.628SS**PPolyproline II helixtrans-95.7121.6158.954.20000110.1L501L501-T503 PolarHBondContact O-N 2.92Å
504G27.8Very low31.6Very low72 Ų72102.1 Ų102.174%0.74264%0.637SS**PPolyproline II helixtrans-72.5148.4179.500000113.6S506G504-S506 PolarHBondContact O-N 3.39Å
505N28.7Very low31.5Very low155 Ų155104.1 Ų104.183%0.82964%0.643SS**PPolyproline II helixtrans-55.8129.4178.2-89.8-20.5000113.1
506S26.8Very low31.3Very low124 Ų124101.1 Ų101.187%0.86764%0.638SS**  trans-111.881.4158.652.90000110.1G504G504-S506 PolarHBondContact O-N 3.39Å
507T26.1Very low30.7Very low111 Ų111104.7 Ų104.768%0.68166%0.66SS**  trans-90.4144.7171.1430000111.6
508S25.8Very low30.3Very low122 Ų122110.7 Ų110.785%0.85370%0.702SS**  trans61.495.8171.557.80000118.9
509S27.4Very low29.3Very low122 Ų122111.1 Ų111.185%0.85372%0.718SS**  trans-137.4133.4131.361.20000108.8
510S24.3Very low28.5Very low129 Ų129117.6 Ų117.690%0.90276%0.758SS**  trans-90152.4-172.3500000113.7
511G25.5Very low27.4Very low82 Ų82124.6 Ų124.685%0.84580%0.795SS**  trans114.1136.4175.500000112.5
512G25.4Very low27.1Very low75 Ų75125.1 Ų125.177%0.77381%0.814SS**  cis-147.5178.7-2.800000111.4
513Y26Very low27Very low242 Ų242127.5 Ų127.595%0.94982%0.821SS**  trans-73.8152.1-172.2-72.4-95.7000113.5
514F23.4Very low26.9Very low210 Ų210130.1 Ų130.192%0.92183%0.832SS**  trans-64.5130157.4-92.7-100.9000109.7
515E27.3Very low27.5Very low197 Ų197131.4 Ų131.492%0.92183%0.827SS**  trans-145.4162.8144.8-158.6156.2-13600108.7
516A24.8Very low27.4Very low75 Ų75131.7 Ų131.762%0.6283%0.827SS**  trans-130.2172.8-15800000114.5
517T24.4Very low27.4Very low133 Ų133130.1 Ų130.182%0.81682%0.816SS**  trans85.2158.1162.177.30000119.6
518S29.1Very low27.3Very low127 Ų127130.8 Ų130.889%0.88882%0.82SS**  trans72.8139.4179.376.80000116.5
519G24.4Very low27.3Very low71 Ų71130.3 Ų130.373%0.73282%0.817SS**  trans-154.9-177.6-177.400000111
520T32.2Very low27.4Very low146 Ų146129.8 Ų129.890%0.89681%0.813SS**  trans-146.3154.2177.825.30000111.3
521N24.5Very low27.5Very low174 Ų174131 Ų13193%0.9381%0.809SS**  trans-91.5149.2-175.1-62.3-37.6000112.7
522A31.5Very low27.6Very low107 Ų107134.4 Ų134.488%0.88481%0.808SS**  trans-146.6154.4156.400000110
523S31.2Very low27.6Very low108 Ų108139.1 Ų139.176%0.75582%0.815SS**  trans-115.4140.4-160.1550000115.7
524N28.7Very low27.5Very low151 Ų151134.5 Ų134.581%0.80781%0.806SS**  trans21.1159.3130.2-69.44.9000121.5
525P39.8Very low27.6Very low98 Ų98130.6 Ų130.664%0.63681%0.805SS**  cis-147.5-167.5-39.843.3-24.9000114
526I26.3Very low27.5Very low162 Ų162125.8 Ų125.883%0.83180%0.799SS**  trans72.7143.5158.4-65.6169.7000115.6
527S27.2Very low27.5Very low91 Ų91129.5 Ų129.564%0.63681%0.807SS**  cis-150155.27.646.30000115.4
528T25.1Very low27.4Very low125 Ų125133.1 Ų133.177%0.76781%0.812SS**  trans67.8131.9142.649.90000124.9
529S24.9Very low27.2Very low112 Ų112132.9 Ų132.978%0.78380%0.804SS**  trans64.8100.714365.50000121.8
530S29.4Very low27.2Very low110 Ų110137.4 Ų137.477%0.76981%0.811SS**  -168.2145.8113.255.30000110.6
531D26.3Very low26.8Very low156 Ų156137.9 Ų137.983%0.83481%0.808SS**  trans-69.6137175.2-51.1-88000112.2
532N28.9Very low26.9Very low152 Ų152135.4 Ų135.481%0.81380%0.804SS**  trans-167.9125.3153.6-96.6-37.6000109.4
533L24.5Very low26.6Very low175 Ų175135.9 Ų135.992%0.91680%0.802SS**  trans-100.733.4-171.5-160.599.7000113.1
534D24.5Very low26.4Very low144 Ų144136.4 Ų136.477%0.7781%0.805SS**  trans-104.190-174.9-84.9-54.5000112.5
535S25Very low26.3Very low128 Ų128135.6 Ų135.690%0.89581%0.806SS**  trans-155.444.8171-770000112.7
536A24.4Very low25.9Very low97 Ų97136.8 Ų136.880%0.80281%0.813SS**SBendtrans-127.7-2.5-17800000115.8
537I24.4Very low25.8Very low152 Ų152136.9 Ų136.978%0.77982%0.816SS**  trans-126.494-180-55.8-179.8000110
538F23.4Very low25.9Very low209 Ų209138.6 Ų138.692%0.91782%0.822SS**  trans-15445172.1-133.7-79.2000115.1
539V25.5Very low26Very low122 Ų122137.6 Ų137.674%0.73982%0.82SS**SBendtrans-137.9143.2161.4-174.20000107.3
540L23.6Very low26.2Very low166 Ų166139.6 Ų139.687%0.86982%0.823SS**SBendtrans85.949.7-173.6-55.4169.6000117.1
541N23.6Very low26Very low156 Ų156142 Ų14283%0.83483%0.826SS**  trans-155.6111.2151-113.4-31.1000112.5
542S27.4Very low26Very low122 Ų122141.1 Ų141.185%0.85382%0.822SS**  trans-154.689.8170.459.80000110.1
543S24.5Very low25.9Very low118 Ų118139.5 Ų139.583%0.82582%0.82SS**  trans-86.4132.5179.854.20000112.1
544S28.1Very low26Very low119 Ų119137.8 Ų137.883%0.83281%0.812SS**  trans-145.2158.8164.661.30000111.2
545T26.5Very low26.1Very low134 Ų134136 Ų13682%0.82280%0.801SS**  trans-85.3145.5-162.1490000114.2
546P29.8Very low26.5Very low122 Ų122133.8 Ų133.879%0.79279%0.786SS**  trans-76.7149178.132.8-35.6000112.6
547N25.9Very low26.9Very low164 Ų164131 Ų13188%0.87777%0.766SS**  trans-132.8155.8163.9-121.2-16.3000109.3
548T28.2Very low27.6Very low127 Ų127124.5 Ų124.578%0.77974%0.736SS**  trans-92.3163.9-158.449.60000116.5
549S26.8Very low28.8Very low104 Ų104116.8 Ų116.873%0.72770%0.704SS**  trans73.2118.8173.371.90000115.5
550N28.6Very low30.3Very low155 Ų155113.5 Ų113.583%0.82968%0.678SS**  -154.9167.259.2-93.3-42.5000114
551N26.5Very low32.1Very low159 Ų159106.9 Ų106.985%0.8565%0.646SS**  trans-77.6131.8175.3-66.2-25000112.2
552N26.6Very low33.8Very low138 Ų138106.5 Ų106.574%0.73864%0.643SS**  trans-157.1124.4159.8-104.1-27.8000110.1N554N552-N554 PolarHBondContact O-N 3.13Å
553P26.9Very low36.2Very low119 Ų119102.9 Ų102.977%0.77362%0.618SS**  trans-85.351.5-17536.4-37000113I555P553-I555 PolarHBondContact O-N 3.26Å
554N25Very low39.2Very low138 Ų13897.8 Ų97.874%0.73858%0.582SS**  trans-9673175.3-74.2-5.7000110.4N552N552-N554 PolarHBondContact O-N 3.13Å
555I27.9Very low42.3Very low108 Ų10892.1 Ų92.155%0.55454%0.543SS*.PPolyproline II helixtrans-73.6128.4174.6-61.3-178.9000108.7P46 P553P46-I555 HydrophobicContact CB-CD1 4.11Å; P46-I555 HydrophobicContact CB-CG2 3.87Å; P553-I555 PolarHBondContact O-N 3.26Å
556S32.2Very low45.6Very low81 Ų8185.7 Ų85.757%0.56650%0.503SS*.PPolyproline II helixtrans-89.6151.9-177.7-510000111.6G47G47-S556 WeakPolarHBondContact CA-O 3.18Å
557G33Very low48.7Very low38 Ų3880 Ų8039%0.39247%0.466SS..PPolyproline II helixtrans-60.1156.3166.700000111.8G47 I559G47-G557 WeakPolarHBondContact O-CA 3.47Å; G557-I559 PolarHBondContact O-N 3.42Å
558G40.6Very low52Low15 Ų1572.1 Ų72.116%0.15542%0.424CS..PPolyproline II helixtrans-50.8123.1-175.600000113
559I46.8Very low55.2Low47 Ų4766.1 Ų66.124%0.24139%0.387CS..PPolyproline II helixtrans-86.3116.5-177-78.2154.4000110.3L499 L500 L501 G557L499-I559 CarbonylContact C-O 3.53Å; L500-I559 PolarHBondContact N-O 2.71Å; L501-I559 PolarHBondContact N-O 2.65Å; L501-I559 WeakPolarHBondContact O-CB 3.38Å; L501-I559 WeakPolarHBondContact O-CG2 3.43Å; G557-I559 PolarHBondContact O-N 3.42Å
560W58.5Low58.3Low53 Ų5361.2 Ų61.220%0.20135%0.353CS..PPolyproline II helixtrans-55.8161.1169.7-64.6104.7000112.5N562 I567 L582 V585 L586W560-N562 PolarHBondContact O-N 2.91Å; W560-I567 HydrophobicContact CE3-CD1 4.36Å; W560-I567 HydrophobicContact CZ3-CD1 3.6Å; W560-L582 HydrophobicContact CH2-CD2 3.72Å; W560-L582 HydrophobicContact CZ3-CD2 3.91Å; W560-V585 HydrophobicContact CH2-CB 4.4Å; W560-V585 HydrophobicContact CH2-CG1 4.41Å; W560-V585 HydrophobicContact CZ2-CB 3.65Å; W560-V585 HydrophobicContact CZ2-CG1 3.38Å; W560-L586 HydrophobicContact CH2-CD1 4.37Å; W560-L586 HydrophobicContact CH2-CD2 3.48Å; W560-L586 VanDerWaalsContact CH2-CD2 3.48Å; W560-L586 HydrophobicContact CH2-CG 3.6Å; W560-L586 HydrophobicContact CZ2-CB 4.43Å; W560-L586 HydrophobicContact CZ2-CD2 3.31Å; W560-L586 HydrophobicContact CZ2-CG 3.56Å; W560-L586 HydrophobicContact CZ3-CD2 4.17Å
561P61.5Low61.3Low28 Ų2854 Ų5418%0.18231%0.314CS..PPolyproline II helixtrans-52.6141.8165.3-22.233.7000110.8F419 L499 S563 C565F419-P561 HydrophobicContact CE2-CG 3.72Å; F419-P561 HydrophobicContact CZ-CG 3.82Å; L499-P561 HydrophobicContact CD2-CG 3.82Å; P561-S563 PolarHBondContact O-N 2.93Å; P561-C565 HydrophobicContact CG-CB 4.5Å
562N59.2Low64.1Low147 Ų14747 Ų4779%0.78628%0.277SS*.SBendtrans-68.110.5179-67.2-45.4000114.1W560W560-N562 PolarHBondContact O-N 2.91Å
563S76.6Confident66.9Low46 Ų4640.4 Ų40.432%0.32224%0.242SC..SBendtrans-140.6144.2177.455.60000109.1P561 C565P561-S563 PolarHBondContact O-N 2.93Å; S563-C565 PolarHBondContact O-N 3.35Å
564P88.7Confident70Confident11 Ų1134.7 Ų34.77%0.07121%0.205CC..  trans-53.3138.9177.324.6-35.7000110.9L289 G293 L412 S416L289-P564 HydrophobicContact CD2-CB 3.9Å; G293-P564 WeakPolarHBondContact O-CB 3.17Å; L412-P564 HydrophobicContact CD1-CG 3.86Å; L412-P564 HydrophobicContact CD2-CG 4.07Å; L412-P564 HydrophobicContact CG-CG 3.83Å; S416-P564 WeakPolarHBondContact CA-O 3.23Å; S416-P564 WeakPolarHBondContact CB-O 3.48Å; S416-P564 PolarHBondContact OG-O 2.68Å
565C92.3Very high73.1Confident0 Ų028.1 Ų28.10%017%0.17CC..  trans-133.5155.6-176.966.20000112.6N294 V295 P417 F419 P561 S563N294-C565 WeakPolarHBondContact CA-O 3.21Å; N294-C565 PolarHBondContact OD1-N 2.64Å; N294-C565 PolarHBondContact OD1-SG 3.44Å; V295-C565 PolarHBondContact N-O 2.86Å; P417-C565 HydrophobicContact CG-CB 3.89Å; P417-C565 WeakPolarHBondContact O-CA 3.28Å; P417-C565 WeakPolarHBondContact O-CB 3.22Å; F419-C565 HydrophobicContact CD2-CB 4.04Å; F419-C565 HydrophobicContact CE2-CB 3.85Å; P561-C565 HydrophobicContact CG-CB 4.5Å; S563-C565 PolarHBondContact O-N 3.35Å
566L95.7Very high75.9Confident0 Ų023 Ų230%014%0.144CC..EExtended strand (participates in β ladder)trans-102.2132.9169.8170.962.4000107.9V285 V295 V297 A312 K316 P417 I418 F419 F568V285-L566 HydrophobicContact CG1-CD2 4.12Å; V285-L566 HydrophobicContact CG2-CD1 4.32Å; V295-L566 HydrophobicContact CB-CD1 3.69Å; V295-L566 HydrophobicContact CG1-CD1 3.63Å; V295-L566 CarbonylContact O-C 3.5Å; V295-L566 WeakPolarHBondContact O-CA 3.31Å; V297-L566 HydrophobicContact CG2-CD1 3.8Å; A312-L566 HydrophobicContact CB-CD2 3.74Å; K316-L566 HydrophobicContact CD-CD2 4.49Å; P417-L566 PolarHBondContact O-N 2.61Å; I418-L566 CarbonylContact C-O 3.46Å; I418-L566 VanDerWaalsContact CA-O 3.28Å; I418-L566 WeakPolarHBondContact CA-O 3.26Å; I418-L566 HydrophobicContact CD1-CD2 4.21Å; I418-L566 HydrophobicContact CG1-CB 4.31Å; I418-L566 HydrophobicContact CG1-CD2 4.25Å; I418-L566 HydrophobicContact CG2-CD2 4.29Å; I418-L566 HydrophobicContact CG2-CG 4.27Å; F419-L566 PolarHBondContact N-O 3.14Å; L566-F568 HydrophobicContact CD1-CE2 4.29Å; L566-F568 HydrophobicContact CD1-CZ 4.47Å; L566-F568 HydrophobicContact CD2-CE2 3.65Å; L566-F568 HydrophobicContact CD2-CZ 4.08Å; L566-F568 HydrophobicContact CG-CD2 4.34Å; L566-F568 HydrophobicContact CG-CE2 3.84Å; L566-F568 HydrophobicContact CG-CZ 4.42Å
567I95.5Very high78.5Confident1 Ų119.3 Ų19.31%0.00512%0.118CC..EExtended strand (participates in β ladder)trans-129.6115.7-177-52.4-176.7000109V295 L296 V297 F419 I421 W560 A569 L582V295-I567 PolarHBondContact O-N 2.99Å; L296-I567 CarbonylContact C-O 3.59Å; L296-I567 WeakPolarHBondContact CA-O 3.16Å; L296-I567 HydrophobicContact CD1-CB 4.29Å; L296-I567 HydrophobicContact CD1-CG2 4.21Å; V297-I567 PolarHBondContact N-O 3.49Å; F419-I567 HydrophobicContact CB-CB 4.48Å; F419-I567 HydrophobicContact CB-CG1 4.2Å; F419-I567 HydrophobicContact CB-CG2 4.18Å; F419-I567 HydrophobicContact CD2-CG1 4.17Å; F419-I567 WeakPolarHBondContact O-CA 3.34Å; I421-I567 HydrophobicContact CD1-CG2 3.66Å; I421-I567 HydrophobicContact CG1-CG2 4.15Å; W560-I567 HydrophobicContact CE3-CD1 4.36Å; W560-I567 HydrophobicContact CZ3-CD1 3.6Å; I567-A569 HydrophobicContact CG2-CB 4.35Å; I567-L582 HydrophobicContact CD1-CD2 4.35Å; I567-L582 HydrophobicContact CG2-CD1 4.02Å
568F96.1Very high81Confident0 Ų017.7 Ų17.70%010%0.101CC..EExtended strand (participates in β ladder)trans-89.7131.7161.4-62.5-87.5000108.5F281 V297 I305 L308 L309 A312 I418 F419 F420 I421 L566F281-F568 HydrophobicContact CZ-CE1 4.16Å; F281-F568 HydrophobicContact CZ-CZ 4.06Å; V297-F568 HydrophobicContact CB-CD1 3.57Å; V297-F568 HydrophobicContact CB-CE1 3.79Å; V297-F568 HydrophobicContact CB-CG 4.39Å; V297-F568 HydrophobicContact CG1-CD1 3.75Å; V297-F568 HydrophobicContact CG1-CE1 3.77Å; V297-F568 HydrophobicContact CG2-CD1 4.19Å; V297-F568 HydrophobicContact CG2-CE1 3.97Å; V297-F568 WeakPolarHBondContact O-CA 3.34Å; I305-F568 HydrophobicContact CD1-CB 3.92Å; I305-F568 HydrophobicContact CD1-CD1 3.14Å; I305-F568 HydrophobicContact CD1-CD2 4.35Å; I305-F568 HydrophobicContact CD1-CE1 3.6Å; I305-F568 HydrophobicContact CD1-CG 3.56Å; I305-F568 HydrophobicContact CD1-CZ 4.36Å; L308-F568 HydrophobicContact CB-CE1 4.38Å; L309-F568 HydrophobicContact CD2-CD2 3.61Å; L309-F568 HydrophobicContact CD2-CE2 3.54Å; L309-F568 HydrophobicContact CD2-CG 4.46Å; L309-F568 HydrophobicContact CD2-CZ 4.34Å; L309-F568 HydrophobicContact CG-CD2 4.39Å; L309-F568 HydrophobicContact CG-CE2 4.21Å; A312-F568 HydrophobicContact CB-CZ 4.46Å; I418-F568 HydrophobicContact CG2-CD2 3.94Å; I418-F568 HydrophobicContact CG2-CE2 3.97Å; F419-F568 PolarHBondContact O-N 3.32Å; F420-F568 CarbonylContact C-O 3.58Å; F420-F568 WeakPolarHBondContact CA-O 3.37Å; F420-F568 HydrophobicContact CD2-CB 3.81Å; F420-F568 HydrophobicContact CE2-CB 4.33Å; F420-F568 HydrophobicContact CG-CB 4.34Å; I421-F568 PolarHBondContact N-O 2.83Å; L566-F568 HydrophobicContact CD1-CE2 4.29Å; L566-F568 HydrophobicContact CD1-CZ 4.47Å; L566-F568 HydrophobicContact CD2-CE2 3.65Å; L566-F568 HydrophobicContact CD2-CZ 4.08Å; L566-F568 HydrophobicContact CG-CD2 4.34Å; L566-F568 HydrophobicContact CG-CE2 3.84Å; L566-F568 HydrophobicContact CG-CZ 4.42Å
569A94.1Very high83.4Confident0 Ų017 Ų170%09%0.093CC..EExtended strand (participates in β ladder)trans-142.7143-176.700000111.1L296 V297 P298 S299 I421 I567 P578 S579 L582L296-A569 HydrophobicContact CD1-CB 4.01Å; V297-A569 PolarHBondContact O-N 2.87Å; V297-A569 VanDerWaalsContact O-N 3.16Å; P298-A569 WeakPolarHBondContact CA-O 3.23Å; S299-A569 PolarHBondContact N-O 3.06Å; I421-A569 HydrophobicContact CB-CB 4.33Å; I421-A569 WeakPolarHBondContact O-CA 3.48Å; I567-A569 HydrophobicContact CG2-CB 4.35Å; A569-P578 HydrophobicContact CB-CB 4.49Å; A569-P578 HydrophobicContact CB-CG 4.24Å; A569-S579 WeakPolarHBondContact CB-OG 3.39Å; A569-S579 PolarHBondContact O-OG 2.89Å; A569-L582 HydrophobicContact CB-CD1 3.69Å
570S92.6Very high85.5Confident1 Ų114.9 Ų14.91%0.0078%0.083CC..  trans-66.1146178.659.10000112.9D138 S299 I421 P578 S579D138-S570 WeakPolarHBondContact OD2-CB 3.41Å; D138-S570 PolarHBondContact OD2-OG 2.92Å; S299-S570 WeakPolarHBondContact O-CA 3.45Å; I421-S570 PolarHBondContact O-N 2.84Å; S570-P578 WeakPolarHBondContact OG-CD 3.44Å; S570-S579 WeakPolarHBondContact O-CB 3.49Å; S570-S579 PolarHBondContact O-N 3.32Å; S570-S579 PolarHBondContact O-OG 3.03Å
571H90.5Very high86.7Confident4 Ų412.8 Ų12.82%0.0198%0.075CC..  trans-146.6140.6162.467.184000110.8P298 S299 S573 L574 E612 Y616P298-H571 VanDerWaalsContact CA-CD2 3.47Å; P298-H571 WeakPolarHBondContact CA-CD2 3.46Å; P298-H571 WeakPolarHBondContact CB-CD2 3.15Å; P298-H571 PolarHBondContact O-NE2 3.43Å; S299-H571 PolarHBondContact N-CD2 3.29Å; S299-H571 PolarHBondContact N-NE2 3.47Å; H571-S573 PolarHBondContact ND1-N 2.59Å; H571-L574 PolarHBondContact ND1-N 3.12Å; H571-E612 IonicContact CE1-OE2 2.97Å; H571-E612 PolarHBondContact CE1-OE2 3.18Å; H571-E612 VanDerWaalsContact CE1-OE2 3.23Å; H571-E612 IonicContact NE2-OE2 3.19Å; H571-E612 PolarHBondContact NE2-OE2 3.5Å; H571-Y616 AromaticContact CE1-CE1 3.81Å; H571-Y616 AromaticContact CE1-CZ 3.48Å; H571-Y616 VanDerWaalsContact CE1-CZ 3.48Å; H571-Y616 PolarHBondContact CE1-OH 3.17Å; H571-Y616 AromaticContact ND1-CE1 3.97Å; H571-Y616 AromaticContact NE2-CZ 3.81Å; H571-Y616 PolarHBondContact NE2-OH 3.17Å
572P85.6Confident88Confident11 Ų1111.6 Ų11.67%0.0717%0.067CC..SBendtrans-83.5113142.4-2234.8000109.2L34 L139 L574 R575 L576L34-P572 HydrophobicContact CD1-CB 3.84Å; L139-P572 HydrophobicContact CD1-CB 4.16Å; L139-P572 HydrophobicContact CD1-CG 3.56Å; P572-L574 PolarHBondContact O-N 3.48Å; P572-R575 PolarHBondContact O-N 3.27Å; P572-L576 HydrophobicContact CB-CD1 4.37Å; P572-L576 HydrophobicContact CB-CD2 3.88Å; P572-L576 HydrophobicContact CB-CG 3.89Å; P572-L576 WeakPolarHBondContact CD-O 3.13Å; P572-L576 HydrophobicContact CG-CD1 3.89Å; P572-L576 HydrophobicContact CG-CD2 4.29Å; P572-L576 HydrophobicContact CG-CG 3.75Å
573S86.5Confident89.4Confident0 Ų04.6 Ų4.60%03%0.03CC..THydrogen-bonded Turntrans45.825.7174.6-52.80000118.3L31 H571 R575 D615L31-S573 PolarHBondContact O-OG 3.04Å; H571-S573 PolarHBondContact ND1-N 2.59Å; S573-R575 VanDerWaalsContact C-N 3.32Å; S573-R575 PolarHBondContact O-N 2.75Å; S573-D615 WeakPolarHBondContact CA-O 3.4Å; S573-D615 WeakPolarHBondContact CB-O 3.22Å; S573-D615 PolarHBondContact OG-O 2.79Å
574L91.3Very high89.9Confident0 Ų04.8 Ų4.80%02%0.023CC..THydrogen-bonded Turntrans52.444.9-169-160.372.1000113.2P298 H571 P572 L610 Y616 I637 I638 F641P298-L574 HydrophobicContact CB-CD1 4.05Å; P298-L574 HydrophobicContact CG-CD1 3.87Å; H571-L574 PolarHBondContact ND1-N 3.12Å; P572-L574 PolarHBondContact O-N 3.48Å; L574-L610 HydrophobicContact CD2-CD2 4.06Å; L574-Y616 HydrophobicContact CB-CE1 3.86Å; L574-I637 HydrophobicContact CB-CG2 4.22Å; L574-I637 HydrophobicContact CD2-CG2 3.82Å; L574-I638 HydrophobicContact CD2-CD1 3.85Å; L574-F641 HydrophobicContact CD2-CE2 3.83Å; L574-F641 HydrophobicContact CD2-CZ 4.2Å; L574-F641 HydrophobicContact CG-CE2 3.99Å; L574-F641 HydrophobicContact CG-CZ 3.96Å
575R89.5Confident89.5Confident0 Ų04.9 Ų4.90%02%0.024CC..THydrogen-bonded Turntrans-129.5-26-180-64.8-63.5-177-102.35.9115.3L34 S35 F37 P39 K40 F77 P572 S573 V580 R636 I637L34-R575 WeakPolarHBondContact O-CG 3.49Å; S35-R575 PolarHBondContact O-NE 2.63Å; S35-R575 PolarHBondContact O-NH2 3.34Å; F37-R575 WeakPolarHBondContact O-CD 3.5Å; F37-R575 PolarHBondContact O-NE 3.5Å; P39-R575 CarbonylContact C-O 3.55Å; P39-R575 VanDerWaalsContact CA-O 3.25Å; P39-R575 WeakPolarHBondContact CA-O 3.44Å; K40-R575 PolarHBondContact N-O 2.89Å; F77-R575 HydrophobicContact CE1-CB 3.97Å; F77-R575 HydrophobicContact CZ-CB 4.17Å; F77-R575 WeakPolarHBondContact CZ-O 3.26Å; P572-R575 PolarHBondContact O-N 3.27Å; S573-R575 VanDerWaalsContact C-N 3.32Å; S573-R575 PolarHBondContact O-N 2.75Å; R575-V580 VanDerWaalsContact C-CG2 3.47Å; R575-R636 PolarHBondContact NH2-O 3.23Å; R575-I637 PolarHBondContact NH1-O 3.05Å; R575-I637 PolarHBondContact NH2-O 2.88Å
576L87.4Confident89.3Confident1 Ų15 Ų51%0.0053%0.025CC..SBendtrans-138.2173.2166.450.8149.4000109.1L34 F77 L139 E142 L143 P572L34-L576 HydrophobicContact CD1-CD2 4.39Å; F77-L576 HydrophobicContact CD1-CD2 4.18Å; F77-L576 HydrophobicContact CD2-CD2 3.88Å; F77-L576 HydrophobicContact CE1-CD2 3.98Å; F77-L576 HydrophobicContact CE2-CB 3.99Å; F77-L576 HydrophobicContact CE2-CD2 3.67Å; F77-L576 HydrophobicContact CE2-CG 4.31Å; F77-L576 HydrophobicContact CG-CD2 4.14Å; F77-L576 HydrophobicContact CZ-CB 4.31Å; F77-L576 HydrophobicContact CZ-CD2 3.74Å; L139-L576 HydrophobicContact CD1-CD1 3.93Å; E142-L576 HydrophobicContact CB-CD1 4.02Å; L143-L576 HydrophobicContact CD2-CD1 3.75Å; L143-L576 HydrophobicContact CG-CD1 3.9Å; P572-L576 HydrophobicContact CB-CD1 4.37Å; P572-L576 HydrophobicContact CB-CD2 3.88Å; P572-L576 HydrophobicContact CB-CG 3.89Å; P572-L576 WeakPolarHBondContact CD-O 3.13Å; P572-L576 HydrophobicContact CG-CD1 3.89Å; P572-L576 HydrophobicContact CG-CD2 4.29Å; P572-L576 HydrophobicContact CG-CG 3.75Å
577G86.2Confident88.8Confident2 Ų25 Ų52%0.0213%0.025CC..SBendtrans81.2166.8-176.200000115H41 E142 S579 V580H41-G577 PolarHBondContact CD2-O 3.48Å; H41-G577 VanDerWaalsContact CD2-O 3.29Å; E142-G577 WeakPolarHBondContact OE2-CA 3.42Å; G577-S579 PolarHBondContact O-N 3.26Å; G577-V580 WeakPolarHBondContact O-CB 3.49Å; G577-V580 PolarHBondContact O-N 2.92Å
578P86.5Confident88.2Confident5 Ų55.3 Ų5.33%0.0323%0.026CC..Hα-helixtrans-55.9-28.8-165.420.3-34.1000114.5I421 L471 A569 S570 V580 H581 L582I421-P578 HydrophobicContact CB-CG 4.48Å; I421-P578 HydrophobicContact CG2-CB 4.02Å; I421-P578 HydrophobicContact CG2-CG 3.98Å; L471-P578 HydrophobicContact CD1-CB 3.7Å; L471-P578 HydrophobicContact CD2-CB 4.26Å; L471-P578 HydrophobicContact CG-CB 3.8Å; A569-P578 HydrophobicContact CB-CB 4.49Å; A569-P578 HydrophobicContact CB-CG 4.24Å; S570-P578 WeakPolarHBondContact OG-CD 3.44Å; P578-V580 PolarHBondContact O-N 3Å; P578-H581 PolarHBondContact O-N 3.13Å; P578-H581 VanDerWaalsContact O-N 3.11Å; P578-L582 HydrophobicContact CB-CD1 4.42Å; P578-L582 WeakPolarHBondContact O-CG 3.46Å; P578-L582 PolarHBondContact O-N 2.89Å
579S91.6Very high87Confident0 Ų07.1 Ų7.10%05%0.045CC..Hα-helixtrans-55.7-31.2175.5-59.20000114A569 S570 G577 T583A569-S579 WeakPolarHBondContact CB-OG 3.39Å; A569-S579 PolarHBondContact O-OG 2.89Å; S570-S579 WeakPolarHBondContact O-CB 3.49Å; S570-S579 PolarHBondContact O-N 3.32Å; S570-S579 PolarHBondContact O-OG 3.03Å; G577-S579 PolarHBondContact O-N 3.26Å; S579-T583 VanDerWaalsContact O-CB 3.28Å; S579-T583 WeakPolarHBondContact O-CB 3.31Å; S579-T583 PolarHBondContact O-N 2.86Å; S579-T583 PolarHBondContact O-OG1 2.99Å
580V89.1Confident85.4Confident3 Ų310 Ų102%0.0187%0.074CC..Hα-helixtrans-67.3-41.3177.5175.50000111.3P39 H41 R575 G577 P578 R584 F641P39-V580 HydrophobicContact CB-CG1 3.58Å; P39-V580 HydrophobicContact CB-CG2 4.3Å; H41-V580 HydrophobicContact CB-CB 4.28Å; H41-V580 HydrophobicContact CB-CG1 3.99Å; R575-V580 VanDerWaalsContact C-CG2 3.47Å; G577-V580 WeakPolarHBondContact O-CB 3.49Å; G577-V580 PolarHBondContact O-N 2.92Å; P578-V580 PolarHBondContact O-N 3Å; V580-R584 PolarHBondContact O-N 2.93Å; V580-F641 HydrophobicContact CG1-CE1 4.03Å; V580-F641 HydrophobicContact CG1-CZ 4.26Å; V580-F641 HydrophobicContact CG2-CZ 4.49Å
581H84.4Confident83.5Confident8 Ų814.7 Ų14.74%0.03710%0.099CC..Hα-helixtrans-69.1-51175.6-179.949.3000111L43 L471 P578 T583 R584 V585L43-H581 HydrophobicContact CD1-CB 4.08Å; L43-H581 WeakPolarHBondContact CD1-ND1 3.43Å; L43-H581 HydrophobicContact CD2-CB 4.44Å; L43-H581 VanDerWaalsContact CD2-CE1 3.48Å; L43-H581 WeakPolarHBondContact CD2-CE1 3.39Å; L43-H581 WeakPolarHBondContact CD2-NE2 3.33Å; L471-H581 HydrophobicContact CD1-CB 3.86Å; P578-H581 PolarHBondContact O-N 3.13Å; P578-H581 VanDerWaalsContact O-N 3.11Å; H581-T583 VanDerWaalsContact C-N 3.28Å; H581-T583 PolarHBondContact O-N 3.03Å; H581-R584 WeakPolarHBondContact O-CA 3.46Å; H581-R584 PolarHBondContact O-N 3.28Å; H581-V585 WeakPolarHBondContact CE1-CG2 3.05Å; H581-V585 WeakPolarHBondContact NE2-CG2 3.23Å; H581-V585 WeakPolarHBondContact O-CG2 3.45Å; H581-V585 PolarHBondContact O-N 3.02Å
582L88.5Confident81.3Confident4 Ų422.9 Ų22.92%0.02113%0.13CC..Hα-helixtrans-58.3-40.9-175.9-65.9162.5000111.4L296 I421 L471 W560 I567 A569 P578 R584 V585 L586L296-L582 HydrophobicContact CD1-CB 3.97Å; L296-L582 HydrophobicContact CD1-CD1 3.81Å; L296-L582 HydrophobicContact CD2-CB 3.69Å; L296-L582 HydrophobicContact CG-CB 4.46Å; I421-L582 HydrophobicContact CD1-CD1 4.11Å; L471-L582 HydrophobicContact CD2-CD1 4.19Å; L471-L582 HydrophobicContact CD2-CD2 3.87Å; L471-L582 HydrophobicContact CD2-CG 4.02Å; W560-L582 HydrophobicContact CH2-CD2 3.72Å; W560-L582 HydrophobicContact CZ3-CD2 3.91Å; I567-L582 HydrophobicContact CD1-CD2 4.35Å; I567-L582 HydrophobicContact CG2-CD1 4.02Å; A569-L582 HydrophobicContact CB-CD1 3.69Å; P578-L582 HydrophobicContact CB-CD1 4.42Å; P578-L582 WeakPolarHBondContact O-CG 3.46Å; P578-L582 PolarHBondContact O-N 2.89Å; L582-R584 PolarHBondContact O-N 3.11Å; L582-V585 PolarHBondContact O-N 3.47Å; L582-L586 WeakPolarHBondContact O-CB 3.42Å; L582-L586 WeakPolarHBondContact O-CG 3.24Å; L582-L586 PolarHBondContact O-N 2.83Å
583T90.1Very high79Confident0 Ų027.6 Ų27.60%016%0.163CC..Hα-helixtrans-54-48.1171.4-62.90000112.2S579 H581 A587 I608 F641 L664S579-T583 VanDerWaalsContact O-CB 3.28Å; S579-T583 WeakPolarHBondContact O-CB 3.31Å; S579-T583 PolarHBondContact O-N 2.86Å; S579-T583 PolarHBondContact O-OG1 2.99Å; H581-T583 VanDerWaalsContact C-N 3.28Å; H581-T583 PolarHBondContact O-N 3.03Å; T583-A587 WeakPolarHBondContact O-CB 3.42Å; T583-A587 PolarHBondContact O-N 2.71Å; T583-I608 HydrophobicContact CG2-CD1 3.88Å; T583-F641 HydrophobicContact CG2-CB 4.34Å; T583-F641 HydrophobicContact CG2-CD1 3.49Å; T583-F641 VanDerWaalsContact CG2-CD1 3.49Å; T583-F641 HydrophobicContact CG2-CD2 4.37Å; T583-F641 HydrophobicContact CG2-CE1 3.74Å; T583-F641 HydrophobicContact CG2-CG 3.84Å; T583-F641 HydrophobicContact CG2-CZ 4.28Å; T583-L664 HydrophobicContact CG2-CD2 3.62Å
584R85.2Confident76.3Confident49 Ų4931.8 Ų31.819%0.18521%0.206CC..Hα-helixtrans-68.7-37.5179-68.7176.669.7-157.90.3112.7L51 P52 V580 H581 L582 Y588 F641L51-R584 HydrophobicContact CD1-CB 4.12Å; L51-R584 PolarHBondContact O-NH2 3.14Å; P52-R584 PolarHBondContact O-NH2 3.38Å; V580-R584 PolarHBondContact O-N 2.93Å; H581-R584 WeakPolarHBondContact O-CA 3.46Å; H581-R584 PolarHBondContact O-N 3.28Å; L582-R584 PolarHBondContact O-N 3.11Å; R584-Y588 WeakPolarHBondContact O-CB 3.17Å; R584-Y588 PolarHBondContact O-N 2.82Å; R584-F641 HydrophobicContact CG-CD1 3.87Å; R584-F641 HydrophobicContact CG-CE1 4.22Å
585V82.1Confident73.5Confident13 Ų1334.4 Ų34.48%0.07923%0.233CC..Hα-helixtrans-71.3-43.6179.1-173.30000111.3L51 W560 H581 L582 A587 Y588 G589L51-V585 HydrophobicContact CD1-CG2 3.95Å; W560-V585 HydrophobicContact CH2-CB 4.4Å; W560-V585 HydrophobicContact CH2-CG1 4.41Å; W560-V585 HydrophobicContact CZ2-CB 3.65Å; W560-V585 HydrophobicContact CZ2-CG1 3.38Å; H581-V585 WeakPolarHBondContact CE1-CG2 3.05Å; H581-V585 WeakPolarHBondContact NE2-CG2 3.23Å; H581-V585 WeakPolarHBondContact O-CG2 3.45Å; H581-V585 PolarHBondContact O-N 3.02Å; L582-V585 PolarHBondContact O-N 3.47Å; V585-A587 VanDerWaalsContact C-N 3.25Å; V585-A587 PolarHBondContact O-N 3.24Å; V585-Y588 PolarHBondContact O-N 3.32Å; V585-G589 WeakPolarHBondContact O-CA 3.38Å; V585-G589 PolarHBondContact O-N 3.02Å
586L86.5Confident70.7Confident3 Ų340.6 Ų40.62%0.01628%0.276CS..Hα-helixtrans-63.4-33.2177.5-71.3173.6000112.2N294 L296 W560 L582 N606 I608 T667N294-L586 HydrophobicContact CB-CD2 3.81Å; L296-L586 HydrophobicContact CB-CD1 3.54Å; L296-L586 HydrophobicContact CD2-CD1 4.13Å; L296-L586 HydrophobicContact CG-CD1 4.45Å; W560-L586 HydrophobicContact CH2-CD1 4.37Å; W560-L586 HydrophobicContact CH2-CD2 3.48Å; W560-L586 VanDerWaalsContact CH2-CD2 3.48Å; W560-L586 HydrophobicContact CH2-CG 3.6Å; W560-L586 HydrophobicContact CZ2-CB 4.43Å; W560-L586 HydrophobicContact CZ2-CD2 3.31Å; W560-L586 HydrophobicContact CZ2-CG 3.56Å; W560-L586 HydrophobicContact CZ3-CD2 4.17Å; L582-L586 WeakPolarHBondContact O-CB 3.42Å; L582-L586 WeakPolarHBondContact O-CG 3.24Å; L582-L586 PolarHBondContact O-N 2.83Å; L586-N606 HydrophobicContact CB-CB 4.28Å; L586-N606 HydrophobicContact CD2-CB 3.98Å; L586-N606 PolarHBondContact O-ND2 3.01Å; L586-I608 HydrophobicContact CD1-CG1 4.28Å; L586-T667 PolarHBondContact O-OG1 3.25Å
587A85.7Confident68Low1 Ų146.1 Ų46.11%0.00832%0.315CS..Hα-helixtrans-79.2-39.4177.400000113.9T583 V585 L664 S665 T667 A668T583-A587 WeakPolarHBondContact O-CB 3.42Å; T583-A587 PolarHBondContact O-N 2.71Å; V585-A587 VanDerWaalsContact C-N 3.25Å; V585-A587 PolarHBondContact O-N 3.24Å; A587-L664 HydrophobicContact CB-CD2 3.73Å; A587-L664 HydrophobicContact CB-CG 3.72Å; A587-S665 WeakPolarHBondContact CA-OG 3.38Å; A587-S665 WeakPolarHBondContact O-CB 3.42Å; A587-S665 PolarHBondContact O-OG 2.91Å; A587-T667 PolarHBondContact O-OG1 2.87Å; A587-T667 VanDerWaalsContact O-OG1 3.12Å; A587-A668 HydrophobicContact CB-CB 4.19Å
588Y82.7Confident65.4Low6 Ų650 Ų502%0.02436%0.355CS..Hα-helixtrans-132.5-4.8-162.2-56.3-50.9000115.9M54 R584 V585 G590 L591 F641 Q643 L664M54-Y588 HydrophobicContact CE-CD2 4.32Å; M54-Y588 HydrophobicContact CE-CE2 3.58Å; M54-Y588 HydrophobicContact SD-CD2 4.39Å; M54-Y588 HydrophobicContact SD-CE2 3.86Å; R584-Y588 WeakPolarHBondContact O-CB 3.17Å; R584-Y588 PolarHBondContact O-N 2.82Å; V585-Y588 PolarHBondContact O-N 3.32Å; Y588-G590 PolarHBondContact O-N 2.93Å; Y588-L591 HydrophobicContact CD1-CD1 3.82Å; Y588-L591 HydrophobicContact CG-CD1 4.25Å; Y588-L591 WeakPolarHBondContact O-CB 3.46Å; Y588-L591 WeakPolarHBondContact O-CG 3.25Å; Y588-L591 PolarHBondContact O-N 3.24Å; Y588-F641 VanDerWaalsContact CE2-O 3.28Å; Y588-F641 WeakPolarHBondContact CE2-O 3.48Å; Y588-F641 PolarHBondContact OH-O 3.22Å; Y588-Q643 HydrophobicContact CE1-CG 3.75Å; Y588-L664 PolarHBondContact OH-O 2.98Å
589G70.8Confident62.8Low39 Ų3960.9 Ų60.940%0.40240%0.396SS..THydrogen-bonded Turntrans-60.8-28.4-179.100000114.4V585 L591V585-G589 WeakPolarHBondContact O-CA 3.38Å; V585-G589 PolarHBondContact O-N 3.02Å; G589-L591 PolarHBondContact O-N 2.75Å
590G61.3Low60Low60 Ų6068.1 Ų68.162%0.61944%0.44SS*.THydrogen-bonded Turntrans-77.9-9.1179.700000116.1Y588 R592Y588-G590 PolarHBondContact O-N 2.93Å; G590-R592 PolarHBondContact O-N 3.44Å
591L51.3Low57.9Low100 Ų10072.7 Ų72.752%0.52447%0.472SS..THydrogen-bonded Turntrans-67.9-2.5-167.6-71.6-180000116Y588 G589Y588-L591 HydrophobicContact CD1-CD1 3.82Å; Y588-L591 HydrophobicContact CG-CD1 4.25Å; Y588-L591 WeakPolarHBondContact O-CB 3.46Å; Y588-L591 WeakPolarHBondContact O-CG 3.25Å; Y588-L591 PolarHBondContact O-N 3.24Å; G589-L591 PolarHBondContact O-N 2.75Å
592R44.9Very low56.4Low175 Ų17577.5 Ų77.566%0.6651%0.507SS*.THydrogen-bonded Turntrans-111.320.3-175.8-70.1-161.3-177.8-175.812.8115.8D50 G590 G594D50-R592 PolarHBondContact O-NH2 2.62Å; D50-R592 VanDerWaalsContact O-NH2 3.13Å; D50-R592 IonicContact OD1-CZ 3.58Å; D50-R592 IonicContact OD1-NH1 2.63Å; D50-R592 PolarHBondContact OD1-NH1 2.82Å; D50-R592 IonicContact OD1-NH2 3.43Å; D50-R592 PolarHBondContact OD1-NH2 3.43Å; G590-R592 PolarHBondContact O-N 3.44Å; R592-G594 PolarHBondContact O-N 3.04Å
593S38.6Very low55Low111 Ų11181.7 Ų81.778%0.77653%0.534SS*.  trans-73.458.7172.6-162.80000113.2G595S593-G595 PolarHBondContact O-N 2.53Å
594G29.1Very low54.3Low88 Ų8884.4 Ų84.491%0.90755%0.553SS**  trans-75.354.5173.500000112.5R592R592-G594 PolarHBondContact O-N 3.04Å
595G32.7Very low54.4Low54 Ų5482.5 Ų82.556%0.55755%0.546SS*.  trans-138.798.6-174.800000112S593 S597S593-G595 PolarHBondContact O-N 2.53Å; G595-S597 PolarHBondContact O-N 3.25Å
596S29.4Very low54.9Low131 Ų13182.4 Ų82.492%0.91655%0.545SS*.  trans-72.898.2177.9-171.90000111.2
597S32Very low55.4Low117 Ų11782.3 Ų82.382%0.81855%0.545SS*.  trans-157.1126.8165.6-79.70000109.5G595 R599G595-S597 PolarHBondContact O-N 3.25Å; S597-R599 PolarHBondContact O-N 2.82Å
598G30.3Very low55.9Low84 Ų8482.2 Ų82.287%0.86654%0.544SS*.  trans-79.2122.6-160.100000115.5
599R32.2Very low56.5Low232 Ų23282 Ų8288%0.87554%0.543SS*.  trans-150.1120.6149.1-134.2175175.2-165.6-4.5109.7S597 S601S597-R599 PolarHBondContact O-N 2.82Å; R599-S601 VanDerWaalsContact C-N 3.28Å; R599-S601 PolarHBondContact O-N 2.87Å
600T34.1Very low57.6Low153 Ų15380.1 Ų80.194%0.93952%0.524SS*.  trans-88.454.6-167.654.60000112.9
601S44.4Very low58.9Low98 Ų9877.2 Ų77.269%0.68550%0.495SS*.PPolyproline II helixtrans-89.5122.6163.749.40000109R599R599-S601 VanDerWaalsContact C-N 3.28Å; R599-S601 PolarHBondContact O-N 2.87Å
602S52.1Low60.1Low109 Ų10973.2 Ų73.276%0.76247%0.473SS*.PPolyproline II helixtrans-55.9141.7166.4490000110S604S602-S604 PolarHBondContact O-N 2.79Å
603P59.8Low61.1Low93 Ų9364.9 Ų64.960%0.60444%0.442SS*.PPolyproline II helixtrans-60141175.127.1-34.4000110.1H605 T667P603-H605 PolarHBondContact O-N 2.79Å; P603-T667 HydrophobicContact CB-CG2 3.92Å; P603-T667 HydrophobicContact CG-CG2 3.94Å
604S74.5Confident62.7Low56 Ų5660.2 Ų60.239%0.39241%0.411SS..PPolyproline II helixtrans-63.6117.9177.251.30000110.4G292 S602G292-S604 VanDerWaalsContact O-CB 3.24Å; G292-S604 WeakPolarHBondContact O-CB 3.46Å; S602-S604 PolarHBondContact O-N 2.79Å
605H88.1Confident64.9Low10 Ų1056.4 Ų56.45%0.04637%0.37CS..PPolyproline II helixtrans-85.1125.8-177-159.4102.9000110.9G293 F327 H329 P603 D666 A668 T669G293-H605 WeakPolarHBondContact CA-O 3.35Å; F327-H605 AromaticContact CD1-CD2 3.56Å; F327-H605 HydrophobicContact CD2-CB 3.94Å; F327-H605 AromaticContact CE1-CD2 3.53Å; F327-H605 HydrophobicContact CE2-CB 3.78Å; F327-H605 HydrophobicContact CG-CB 4.47Å; F327-H605 AromaticContact CG-CD2 3.89Å; F327-H605 HydrophobicContact CZ-CB 4.18Å; F327-H605 AromaticContact CZ-CD2 3.82Å; F327-H605 WeakPolarHBondContact CZ-O 3.34Å; H329-H605 AromaticContact CE1-CG 3.67Å; H329-H605 AromaticContact CE1-ND1 3.44Å; H329-H605 PolarHBondContact CE1-ND1 3.16Å; P603-H605 PolarHBondContact O-N 2.79Å; H605-D666 PolarHBondContact ND1-O 3.2Å; H605-A668 PolarHBondContact CE1-N 3.21Å; H605-T669 PolarHBondContact NE2-N 3.35Å; H605-T669 PolarHBondContact NE2-OG1 3.39Å
606N93.1Very high67.2Low11 Ų1153.9 Ų53.96%0.05934%0.344CS..EExtended strand (participates in β ladder)trans-93.5157.9-173.5-53.4-73.2000111.7N294 L586 T667 A668 T669N294-N606 WeakPolarHBondContact CB-OD1 3.29Å; N294-N606 PolarHBondContact N-OD1 3.5Å; N294-N606 PolarHBondContact ND2-OD1 2.82Å; N294-N606 VanDerWaalsContact ND2-OD1 3.11Å; N294-N606 WeakPolarHBondContact O-CA 3.22Å; N294-N606 WeakPolarHBondContact O-CB 3.3Å; L586-N606 HydrophobicContact CB-CB 4.28Å; L586-N606 HydrophobicContact CD2-CB 3.98Å; L586-N606 PolarHBondContact O-ND2 3.01Å; N606-T667 WeakPolarHBondContact CB-O 3.48Å; N606-T667 PolarHBondContact N-O 3.47Å; N606-T667 PolarHBondContact ND2-O 3.36Å; N606-A668 WeakPolarHBondContact O-CA 3.44Å; N606-T669 PolarHBondContact O-N 3.3Å
607S95.9Very high69.5Low0 Ų047.9 Ų47.90%030%0.301CS..EExtended strand (participates in β ladder)trans-119138.2174.8-65.30000111T288 N294 V295 L296 F327 T669T288-S607 WeakPolarHBondContact OG1-CB 3.47Å; T288-S607 PolarHBondContact OG1-OG 3.11Å; N294-S607 PolarHBondContact O-N 3.23Å; V295-S607 CarbonylContact C-O 3.57Å; V295-S607 WeakPolarHBondContact CA-O 3.11Å; L296-S607 PolarHBondContact N-O 3.49Å; F327-S607 WeakPolarHBondContact CE1-OG 3.2Å; S607-T669 CarbonylContact C-O 3.45Å; S607-T669 WeakPolarHBondContact CA-O 3.24Å
608I96.1Very high71.4Confident0 Ų042.3 Ų42.30%026%0.262CS..EExtended strand (participates in β ladder)trans-118118.8170.8-53.8179.7000106.8L296 P298 T583 L586 L610 L664 T669 V670 Y671L296-I608 HydrophobicContact CB-CG1 4.3Å; L296-I608 HydrophobicContact CB-CG2 4.41Å; L296-I608 HydrophobicContact CD2-CD1 4.49Å; L296-I608 HydrophobicContact CD2-CG1 4.45Å; L296-I608 HydrophobicContact CD2-CG2 4.16Å; L296-I608 HydrophobicContact CG-CG2 4.36Å; L296-I608 CarbonylContact O-C 3.43Å; L296-I608 WeakPolarHBondContact O-CA 3.38Å; P298-I608 HydrophobicContact CG-CG2 4.23Å; T583-I608 HydrophobicContact CG2-CD1 3.88Å; L586-I608 HydrophobicContact CD1-CG1 4.28Å; I608-L610 HydrophobicContact CG2-CD2 4.35Å; I608-L664 HydrophobicContact CD1-CD2 3.95Å; I608-T669 PolarHBondContact N-O 3.28Å; I608-V670 HydrophobicContact CB-CG2 4.19Å; I608-V670 HydrophobicContact CD1-CG2 4.38Å; I608-V670 CarbonylContact O-C 3.54Å; I608-V670 VanDerWaalsContact O-CA 3.28Å; I608-V670 WeakPolarHBondContact O-CA 3.5Å; I608-Y671 PolarHBondContact O-N 3.37Å
609I95.9Very high72.9Confident0 Ų038.8 Ų38.80%022%0.224CC..EExtended strand (participates in β ladder)trans-110.9104.9-175.3-44.8176.7000108.8F281 I284 V285 V295 L296 V297 P298 I611 L673F281-I609 HydrophobicContact CD2-CD1 3.87Å; F281-I609 HydrophobicContact CD2-CG2 4.22Å; F281-I609 HydrophobicContact CE2-CD1 4.18Å; I284-I609 HydrophobicContact CB-CD1 4Å; I284-I609 HydrophobicContact CG2-CD1 3.62Å; I284-I609 HydrophobicContact CG2-CG1 3.99Å; V285-I609 HydrophobicContact CG2-CD1 4Å; V295-I609 HydrophobicContact CG1-CD1 3.8Å; V295-I609 HydrophobicContact CG1-CG1 4.14Å; L296-I609 PolarHBondContact O-N 3.49Å; V297-I609 HydrophobicContact CG2-CB 4.47Å; P298-I609 VanDerWaalsContact CD-O 3.27Å; P298-I609 WeakPolarHBondContact CD-O 3.12Å; I609-I611 HydrophobicContact CG2-CG2 4.15Å; I609-L673 HydrophobicContact CG2-CB 4.4Å; I609-L673 HydrophobicContact CG2-CD1 3.87Å; I609-L673 HydrophobicContact CG2-CG 4.26Å
610L93.4Very high74.2Confident0 Ų028.8 Ų28.80%019%0.187CC..EExtended strand (participates in β ladder)trans-75.5125.3171.7-52-177.2000108.3P298 L574 I608 Y616 L634 I637 I638 V670 Y671 W672 L673P298-L610 HydrophobicContact CG-CD2 4.11Å; L574-L610 HydrophobicContact CD2-CD2 4.06Å; I608-L610 HydrophobicContact CG2-CD2 4.35Å; L610-Y616 HydrophobicContact CB-CD2 4.36Å; L610-Y616 HydrophobicContact CB-CE2 3.75Å; L610-Y616 HydrophobicContact CD2-CE2 4.38Å; L610-Y616 HydrophobicContact CG-CE2 4.46Å; L610-L634 HydrophobicContact CD1-CD1 3.95Å; L610-I637 HydrophobicContact CD1-CB 4.36Å; L610-I637 HydrophobicContact CD1-CD1 4.05Å; L610-I637 HydrophobicContact CD1-CG2 3.86Å; L610-I638 HydrophobicContact CD1-CD1 4.29Å; L610-V670 HydrophobicContact CD1-CG1 3.88Å; L610-V670 HydrophobicContact CD2-CG1 4.37Å; L610-V670 HydrophobicContact CG-CG1 3.78Å; L610-Y671 PolarHBondContact N-O 3.41Å; L610-W672 HydrophobicContact CB-CB 4.26Å; L610-W672 HydrophobicContact CB-CG 4.37Å; L610-L673 PolarHBondContact O-N 2.87Å
611I89.8Confident75.3Confident0 Ų022.2 Ų22.20%015%0.146CC..  trans-111.3-37.6-176.552.5159.2000114.7V297 P298 L308 I609 S613 L673 M675V297-I611 HydrophobicContact CG1-CD1 3.87Å; V297-I611 HydrophobicContact CG1-CG1 3.99Å; V297-I611 HydrophobicContact CG1-CG2 4.04Å; P298-I611 WeakPolarHBondContact O-CG1 3.43Å; L308-I611 HydrophobicContact CD1-CD1 3.61Å; I609-I611 HydrophobicContact CG2-CG2 4.15Å; I611-S613 PolarHBondContact O-N 3.35Å; I611-L673 WeakPolarHBondContact CA-O 3.25Å; I611-L673 VanDerWaalsContact O-O 3.1Å; I611-M675 HydrophobicContact CB-CB 4.24Å; I611-M675 HydrophobicContact CB-SD 4.14Å; I611-M675 HydrophobicContact CG2-CG 4.47Å; I611-M675 HydrophobicContact CG2-SD 3.66Å; I611-M675 PolarHBondContact O-N 2.71Å
612E76.1Confident75.5Confident16 Ų1620.7 Ų20.78%0.07513%0.125CC..  trans-89.5105.2-167.2-71.6168.6164.600114.5N300 H571 G614 D615 Y616N300-E612 VanDerWaalsContact CB-OE1 3.24Å; N300-E612 WeakPolarHBondContact CB-OE1 3.44Å; N300-E612 PolarHBondContact N-OE1 3.49Å; N300-E612 PolarHBondContact N-OE2 2.85Å; N300-E612 PolarHBondContact ND2-OE1 3Å; N300-E612 PolarHBondContact ND2-OE2 3.38Å; H571-E612 IonicContact CE1-OE2 2.97Å; H571-E612 PolarHBondContact CE1-OE2 3.18Å; H571-E612 VanDerWaalsContact CE1-OE2 3.23Å; H571-E612 IonicContact NE2-OE2 3.19Å; H571-E612 PolarHBondContact NE2-OE2 3.5Å; E612-G614 PolarHBondContact O-N 2.95Å; E612-D615 HydrophobicContact CB-CB 4.44Å; E612-Y616 HydrophobicContact CB-CE2 4.48Å; E612-Y616 WeakPolarHBondContact O-CD2 3.38Å
613S65.9Low75.3Confident0 Ų021.1 Ų21.10%012%0.119CC..Hα-helixtrans-57.4-51.1178.139.80000113.9I611 D615 Y616 V617 E676I611-S613 PolarHBondContact O-N 3.35Å; S613-D615 VanDerWaalsContact C-N 3.3Å; S613-D615 PolarHBondContact O-N 3.07Å; S613-Y616 PolarHBondContact O-N 3.38Å; S613-V617 PolarHBondContact O-N 2.77Å; S613-E676 WeakPolarHBondContact OG-CB 3.32Å; S613-E676 PolarHBondContact OG-OE2 3.17Å
614G71.5Confident74.7Confident13 Ų1320.2 Ų20.213%0.13412%0.115CC..Hα-helixtrans-64.7-25.9-172.600000115.5E612 E676E612-G614 PolarHBondContact O-N 2.95Å; G614-E676 PolarHBondContact N-OE2 3.38Å
615D76.6Confident73.1Confident8 Ų827.9 Ų27.94%0.04314%0.141CC..Hα-helixtrans-92.7-3.5-178.4-69.5-75.3000113.1R104 N300 S573 E612 S613R104-D615 IonicContact CZ-OD2 3.36Å; R104-D615 IonicContact NE-OD2 2.71Å; R104-D615 IonicContact NH2-OD2 3.19Å; R104-D615 PolarHBondContact NH2-OD2 3.4Å; N300-D615 PolarHBondContact ND2-OD2 3.2Å; S573-D615 WeakPolarHBondContact CA-O 3.4Å; S573-D615 WeakPolarHBondContact CB-O 3.22Å; S573-D615 PolarHBondContact OG-O 2.79Å; E612-D615 HydrophobicContact CB-CB 4.44Å; S613-D615 VanDerWaalsContact C-N 3.3Å; S613-D615 PolarHBondContact O-N 3.07Å
616Y79.2Confident70.9Confident1 Ų132 Ų320%0.00417%0.17CC..Hα-helixtrans-115.1-22.3-178.7-69.5-43.6000115.5H571 L574 L610 E612 S613 P618 I637H571-Y616 AromaticContact CE1-CE1 3.81Å; H571-Y616 AromaticContact CE1-CZ 3.48Å; H571-Y616 VanDerWaalsContact CE1-CZ 3.48Å; H571-Y616 PolarHBondContact CE1-OH 3.17Å; H571-Y616 AromaticContact ND1-CE1 3.97Å; H571-Y616 AromaticContact NE2-CZ 3.81Å; H571-Y616 PolarHBondContact NE2-OH 3.17Å; L574-Y616 HydrophobicContact CB-CE1 3.86Å; L610-Y616 HydrophobicContact CB-CD2 4.36Å; L610-Y616 HydrophobicContact CB-CE2 3.75Å; L610-Y616 HydrophobicContact CD2-CE2 4.38Å; L610-Y616 HydrophobicContact CG-CE2 4.46Å; E612-Y616 HydrophobicContact CB-CE2 4.48Å; E612-Y616 WeakPolarHBondContact O-CD2 3.38Å; S613-Y616 PolarHBondContact O-N 3.38Å; Y616-P618 WeakPolarHBondContact O-CD 3.42Å; Y616-I637 HydrophobicContact CD1-CD1 4.15Å; Y616-I637 HydrophobicContact CD1-CG1 4.17Å; Y616-I637 HydrophobicContact CD1-CG2 4.16Å; Y616-I637 HydrophobicContact CD2-CD1 4.42Å; Y616-I637 HydrophobicContact CE1-CG2 4.21Å; Y616-I637 HydrophobicContact CG-CD1 3.85Å; Y616-I637 HydrophobicContact CG-CG1 4.33Å
617V78.4Confident68.7Low4 Ų437.5 Ų37.52%0.02420%0.198CC..SBendtrans-109.6111.4-170.7-174.50000111.3Y269 S613 S619 H633 W672Y269-V617 HydrophobicContact CD1-CG1 4.28Å; Y269-V617 HydrophobicContact CD2-CB 4.39Å; Y269-V617 HydrophobicContact CE1-CB 4.22Å; Y269-V617 HydrophobicContact CE1-CG1 3.52Å; Y269-V617 HydrophobicContact CE2-CB 3.81Å; Y269-V617 HydrophobicContact CE2-CG1 3.98Å; Y269-V617 HydrophobicContact CE2-CG2 4.48Å; Y269-V617 WeakPolarHBondContact OH-CG1 3.45Å; S613-V617 PolarHBondContact O-N 2.77Å; V617-S619 PolarHBondContact O-N 3.28Å; V617-H633 HydrophobicContact CG2-CB 4.42Å; V617-W672 HydrophobicContact CG2-CH2 3.64Å; V617-W672 HydrophobicContact CG2-CZ2 3.82Å
618P72.1Confident66.8Low0 Ų039.3 Ų39.30%021%0.211CC..  trans-68.4125.1-175.7-27.840000115.7S32 S35 Y36 Y616 F620 E621S32-P618 WeakPolarHBondContact OG-CA 3.46Å; S35-P618 WeakPolarHBondContact OG-CG 3.38Å; Y36-P618 HydrophobicContact CD2-CG 4.37Å; Y36-P618 HydrophobicContact CE2-CB 3.58Å; Y36-P618 HydrophobicContact CE2-CG 3.45Å; Y36-P618 VanDerWaalsContact CE2-CG 3.45Å; Y36-P618 WeakPolarHBondContact OH-CB 3.49Å; Y36-P618 WeakPolarHBondContact OH-CG 3.27Å; Y616-P618 WeakPolarHBondContact O-CD 3.42Å; P618-F620 VanDerWaalsContact C-N 3.32Å; P618-F620 HydrophobicContact CB-CD1 4.32Å; P618-F620 HydrophobicContact CB-CE1 4.15Å; P618-F620 PolarHBondContact O-N 2.84Å; P618-E621 PolarHBondContact O-N 3.48Å
619S62.5Low65.5Low10 Ų1042.6 Ų42.67%0.0723%0.228CC..G310 helixtrans-48-44.5-176.658.20000115.2D8 D30 V617 E621 W622D8-S619 VanDerWaalsContact CB-CB 3.42Å; D8-S619 WeakPolarHBondContact OD1-CB 3.28Å; D30-S619 WeakPolarHBondContact OD2-CB 3.42Å; D30-S619 PolarHBondContact OD2-OG 3.21Å; V617-S619 PolarHBondContact O-N 3.28Å; S619-E621 PolarHBondContact O-N 3.45Å; S619-W622 PolarHBondContact O-N 3.26Å
620F58.9Low64.4Low22 Ų2245.3 Ų45.310%0.09625%0.246CC..G310 helixtrans-72.4-11-172.169.9-95.4000114.9Y36 P166 Y169 L170 P618 W622Y36-F620 HydrophobicContact CD2-CE1 4.39Å; Y36-F620 AromaticContact CE2-CE1 3.45Å; Y36-F620 HydrophobicContact CE2-CE1 3.45Å; Y36-F620 VanDerWaalsContact CE2-CE1 3.45Å; Y36-F620 AromaticContact CE2-CZ 3.62Å; Y36-F620 HydrophobicContact CE2-CZ 3.62Å; Y36-F620 AromaticContact CZ-CE1 3.91Å; Y36-F620 AromaticContact CZ-CZ 3.62Å; Y36-F620 VanDerWaalsContact OH-CZ 3.32Å; Y36-F620 WeakPolarHBondContact OH-CZ 3.47Å; P166-F620 HydrophobicContact CB-CE2 3.54Å; P166-F620 HydrophobicContact CB-CZ 3.64Å; P166-F620 WeakPolarHBondContact O-CE2 2.92Å; P166-F620 WeakPolarHBondContact O-CZ 3.46Å; Y169-F620 HydrophobicContact CD1-CB 4.39Å; Y169-F620 AromaticContact CD1-CD2 3.75Å; Y169-F620 HydrophobicContact CD1-CD2 3.75Å; Y169-F620 HydrophobicContact CD1-CE2 4.18Å; Y169-F620 HydrophobicContact CD1-CG 4.16Å; Y169-F620 HydrophobicContact CE1-CB 4.22Å; Y169-F620 HydrophobicContact CE1-CD2 4.41Å; Y169-F620 HydrophobicContact CE1-CG 4.46Å; L170-F620 HydrophobicContact CB-CE1 4.27Å; L170-F620 HydrophobicContact CB-CZ 4.09Å; L170-F620 HydrophobicContact CD1-CD1 4.26Å; L170-F620 HydrophobicContact CD1-CE1 3.77Å; L170-F620 HydrophobicContact CD1-CZ 4.44Å; L170-F620 HydrophobicContact CD2-CE1 4.27Å; L170-F620 HydrophobicContact CG-CE1 4.33Å; P618-F620 VanDerWaalsContact C-N 3.32Å; P618-F620 HydrophobicContact CB-CD1 4.32Å; P618-F620 HydrophobicContact CB-CE1 4.15Å; P618-F620 PolarHBondContact O-N 2.84Å; F620-W622 VanDerWaalsContact C-N 3.35Å
621E56.9Low63.6Low15 Ų1548.1 Ų48.17%0.0726%0.259CS..G310 helixtrans-74.5-24179.5-62.8-165119.800113P166 P618 S619 N623 S624 H633 R636P166-E621 WeakPolarHBondContact CG-OE1 3.43Å; P618-E621 PolarHBondContact O-N 3.48Å; S619-E621 PolarHBondContact O-N 3.45Å; E621-N623 PolarHBondContact O-N 2.94Å; E621-S624 WeakPolarHBondContact O-CB 3.36Å; E621-S624 PolarHBondContact O-N 2.97Å; E621-H633 IonicContact OE2-CE1 3.84Å; E621-H633 PolarHBondContact OE2-CE1 3.34Å; E621-H633 IonicContact OE2-ND1 3.47Å; E621-R636 VanDerWaalsContact CD-NH1 3.35Å; E621-R636 IonicContact OE1-CZ 2.77Å; E621-R636 IonicContact OE1-NH1 2.67Å; E621-R636 PolarHBondContact OE1-NH1 3.41Å; E621-R636 IonicContact OE1-NH2 2.71Å; E621-R636 PolarHBondContact OE1-NH2 3.01Å; E621-R636 IonicContact OE2-CZ 2.69Å; E621-R636 VanDerWaalsContact OE2-CZ 3.25Å; E621-R636 IonicContact OE2-NH1 2.68Å; E621-R636 PolarHBondContact OE2-NH1 2.88Å; E621-R636 IonicContact OE2-NH2 3.1Å; E621-R636 PolarHBondContact OE2-NH2 2.91Å
622W49.3Very low63.1Low66 Ų6651 Ų5125%0.2528%0.277CS..G310 helixtrans-60.7-29.1177.6-175.9-93.2000113.6M268 S619 F620 S624 L627M268-W622 HydrophobicContact CE-CD2 4.35Å; M268-W622 HydrophobicContact CE-CH2 3.72Å; M268-W622 HydrophobicContact CE-CZ2 3.32Å; M268-W622 HydrophobicContact CE-CZ3 4.34Å; S619-W622 PolarHBondContact O-N 3.26Å; F620-W622 VanDerWaalsContact C-N 3.35Å; W622-S624 PolarHBondContact O-N 3.18Å; W622-L627 HydrophobicContact CE3-CG 4.46Å; W622-L627 HydrophobicContact CH2-CD1 4.12Å; W622-L627 HydrophobicContact CH2-CD2 3.99Å; W622-L627 HydrophobicContact CH2-CG 3.98Å; W622-L627 HydrophobicContact CZ3-CD1 4.26Å; W622-L627 HydrophobicContact CZ3-CD2 3.93Å; W622-L627 HydrophobicContact CZ3-CG 3.71Å
623N47.3Very low63.3Low119 Ų11950.7 Ų50.764%0.63628%0.275SS*.G310 helixtrans-71.8-11.3177.3-72.7-51.8000113.3E621E621-N623 PolarHBondContact O-N 2.94Å
624S46.4Very low64.4Low73 Ų7350.7 Ų50.751%0.5128%0.275SS..SBendtrans-86.2130.9167.8-65.20000109.6E621 W622 C626E621-S624 WeakPolarHBondContact O-CB 3.36Å; E621-S624 PolarHBondContact O-N 2.97Å; W622-S624 PolarHBondContact O-N 3.18Å; S624-C626 CarbonylContact O-C 3.59Å; S624-C626 PolarHBondContact O-N 3.19Å
625K41.4Very low65.1Low218 Ų21853.6 Ų53.695%0.94828%0.282SS*.SBendtrans-63.1-3-177.8-71.5-172.1174.3-175.20115.5
626C42.1Very low65.5Low95 Ų9553.7 Ų53.764%0.64228%0.282SS*.SBendtrans-84.1103.7160.3-64.70000108.1S624 C628S624-C626 CarbonylContact O-C 3.59Å; S624-C626 PolarHBondContact O-N 3.19Å; C626-C628 PolarHBondContact O-N 3.37Å
627L46.7Very low66Low127 Ų12753.7 Ų53.767%0.66528%0.282SS*.  trans-53.4111.4153.9-88.774.2000106.2W622 N629W622-L627 HydrophobicContact CE3-CG 4.46Å; W622-L627 HydrophobicContact CH2-CD1 4.12Å; W622-L627 HydrophobicContact CH2-CD2 3.99Å; W622-L627 HydrophobicContact CH2-CG 3.98Å; W622-L627 HydrophobicContact CZ3-CD1 4.26Å; W622-L627 HydrophobicContact CZ3-CD2 3.93Å; W622-L627 HydrophobicContact CZ3-CG 3.71Å; L627-N629 PolarHBondContact O-N 3.3Å
628C55.9Low66.6Low39 Ų3953.5 Ų53.526%0.26428%0.281SS..  trans-65.4107.5179.2-72.60000108C626 H633C626-C628 PolarHBondContact O-N 3.37Å; C628-H633 WeakPolarHBondContact CB-CE1 3.32Å; C628-H633 WeakPolarHBondContact CB-NE2 3.32Å; C628-H633 PolarHBondContact O-NE2 3.22Å
629N69Low67.4Low68 Ų6853.9 Ų53.936%0.36428%0.284SS..  trans-49.1137.1173.8171-13.6000108.5L627 E631 V632L627-N629 PolarHBondContact O-N 3.3Å; N629-E631 PolarHBondContact ND2-OE1 3.4Å; N629-E631 PolarHBondContact O-N 3.01Å; N629-E631 WeakPolarHBondContact OD1-CB 3.36Å; N629-E631 WeakPolarHBondContact OD1-CG 3.21Å; N629-E631 PolarHBondContact OD1-N 2.89Å; N629-V632 WeakPolarHBondContact O-CB 3.42Å; N629-V632 PolarHBondContact O-N 3.49Å
630P72.9Confident68.6Low57 Ų5753.7 Ų53.737%0.3728%0.282SS..Hα-helixtrans-49.9-24.8179.117.1-32.1000114.7V632 H633 L634 P660 W672P630-V632 VanDerWaalsContact C-N 3.28Å; P630-V632 PolarHBondContact O-N 3.29Å; P630-H633 PolarHBondContact O-N 3Å; P630-L634 WeakPolarHBondContact O-CB 3.11Å; P630-L634 PolarHBondContact O-N 2.81Å; P630-P660 HydrophobicContact CB-CG 4.39Å; P630-W672 VanDerWaalsContact CA-CZ3 3.47Å; P630-W672 HydrophobicContact CB-CE3 3.8Å; P630-W672 HydrophobicContact CB-CH2 4.06Å; P630-W672 HydrophobicContact CB-CZ3 3.33Å; P630-W672 WeakPolarHBondContact O-CZ3 3.36Å
631E77.9Confident70.1Confident60 Ų6052.8 Ų52.828%0.2828%0.278SS..Hα-helixtrans-49.6-43.3167.3-72.8179.1-122.500114.5N629 R635 I652 F654N629-E631 PolarHBondContact ND2-OE1 3.4Å; N629-E631 PolarHBondContact O-N 3.01Å; N629-E631 WeakPolarHBondContact OD1-CB 3.36Å; N629-E631 WeakPolarHBondContact OD1-CG 3.21Å; N629-E631 PolarHBondContact OD1-N 2.89Å; E631-R635 WeakPolarHBondContact O-CG 3.33Å; E631-R635 PolarHBondContact O-N 3.48Å; E631-I652 VanDerWaalsContact CA-CD1 3.48Å; E631-I652 HydrophobicContact CB-CD1 3.83Å; E631-I652 HydrophobicContact CG-CB 4.18Å; E631-I652 HydrophobicContact CG-CD1 4.06Å; E631-I652 HydrophobicContact CG-CG2 3.96Å; E631-I652 WeakPolarHBondContact O-CD1 3.49Å; E631-F654 HydrophobicContact CG-CE2 4.28Å; E631-F654 HydrophobicContact CG-CZ 3.82Å
632V79.3Confident71.5Confident61 Ų6152.2 Ų52.237%0.3728%0.275SS..Hα-helixtrans-68.8-42.7-175.4-178.60000110.7N629 P630 R636N629-V632 WeakPolarHBondContact O-CB 3.42Å; N629-V632 PolarHBondContact O-N 3.49Å; P630-V632 VanDerWaalsContact C-N 3.28Å; P630-V632 PolarHBondContact O-N 3.29Å; V632-R636 PolarHBondContact O-N 2.94Å
633H80.3Confident73.1Confident9 Ų951 Ų514%0.04227%0.272CS..Hα-helixtrans-70.1-43.9177.3-52.5-60.6000111V617 E621 C628 P630 R635 R636 I637 W672V617-H633 HydrophobicContact CG2-CB 4.42Å; E621-H633 IonicContact OE2-CE1 3.84Å; E621-H633 PolarHBondContact OE2-CE1 3.34Å; E621-H633 IonicContact OE2-ND1 3.47Å; C628-H633 WeakPolarHBondContact CB-CE1 3.32Å; C628-H633 WeakPolarHBondContact CB-NE2 3.32Å; C628-H633 PolarHBondContact O-NE2 3.22Å; P630-H633 PolarHBondContact O-N 3Å; H633-R635 VanDerWaalsContact C-N 3.31Å; H633-R635 PolarHBondContact O-N 3.41Å; H633-R636 PolarHBondContact O-N 3.31Å; H633-I637 HydrophobicContact CB-CD1 4.48Å; H633-I637 VanDerWaalsContact O-CD1 3.3Å; H633-I637 WeakPolarHBondContact O-CD1 3.47Å; H633-I637 WeakPolarHBondContact O-CG1 3.5Å; H633-I637 PolarHBondContact O-N 3Å; H633-W672 HydrophobicContact CB-CH2 4.14Å; H633-W672 HydrophobicContact CB-CZ3 3.8Å
634L87Confident74.5Confident0 Ų048.2 Ų48.20%026%0.261CS..Hα-helixtrans-58.2-42.5175.4-179.956.8000111.9L610 P630 I638 I652 P660 L662 V670 W672L610-L634 HydrophobicContact CD1-CD1 3.95Å; P630-L634 WeakPolarHBondContact O-CB 3.11Å; P630-L634 PolarHBondContact O-N 2.81Å; L634-I638 HydrophobicContact CD1-CG1 3.95Å; L634-I638 PolarHBondContact O-N 3.04Å; L634-I652 HydrophobicContact CB-CD1 4.02Å; L634-I652 HydrophobicContact CD2-CD1 4Å; L634-I652 HydrophobicContact CD2-CG1 4.4Å; L634-I652 HydrophobicContact CD2-CG2 4.48Å; L634-I652 HydrophobicContact CG-CD1 4.12Å; L634-P660 HydrophobicContact CD2-CB 4.06Å; L634-L662 HydrophobicContact CD2-CB 4.08Å; L634-L662 HydrophobicContact CG-CB 4.29Å; L634-V670 HydrophobicContact CD1-CB 4.49Å; L634-V670 HydrophobicContact CD1-CG1 3.86Å; L634-W672 HydrophobicContact CB-CE3 4.36Å; L634-W672 HydrophobicContact CD1-CB 4.32Å
635R87Confident76Confident74 Ų7449.8 Ų49.828%0.27926%0.264SS..Hα-helixtrans-58.3-48.6170.3-75.6-175.7-175.6-880.4111.4M70 E631 H633 I637 I638 S639 N650 I652 L662M70-R635 HydrophobicContact CE-CB 4.15Å; E631-R635 WeakPolarHBondContact O-CG 3.33Å; E631-R635 PolarHBondContact O-N 3.48Å; H633-R635 VanDerWaalsContact C-N 3.31Å; H633-R635 PolarHBondContact O-N 3.41Å; R635-I637 PolarHBondContact O-N 3.36Å; R635-I638 PolarHBondContact O-N 3.32Å; R635-S639 WeakPolarHBondContact O-CB 3.39Å; R635-S639 PolarHBondContact O-N 2.95Å; R635-S639 PolarHBondContact O-OG 2.79Å; R635-S639 VanDerWaalsContact O-OG 3.06Å; R635-N650 VanDerWaalsContact CZ-O 3.28Å; R635-N650 PolarHBondContact NH1-O 3.15Å; R635-N650 PolarHBondContact NH2-O 3.16Å; R635-I652 HydrophobicContact CG-CD1 3.84Å; R635-L662 HydrophobicContact CG-CD1 4.4Å
636R86.2Confident77.8Confident10 Ų1041.1 Ų41.14%0.03823%0.226CC..Hα-helixtrans-63.8-39.8-178.1-167.3-176.6-53.91407.1114Y36 M70 Y72 R575 E621 V632 H633 I638Y36-R636 PolarHBondContact OH-NH1 3.41Å; M70-R636 HydrophobicContact CE-CB 4.45Å; M70-R636 HydrophobicContact SD-CB 3.65Å; M70-R636 HydrophobicContact SD-CG 3.79Å; Y72-R636 HydrophobicContact CE1-CG 4.19Å; Y72-R636 WeakPolarHBondContact OH-CA 3.38Å; Y72-R636 PolarHBondContact OH-O 3.48Å; R575-R636 PolarHBondContact NH2-O 3.23Å; E621-R636 VanDerWaalsContact CD-NH1 3.35Å; E621-R636 IonicContact OE1-CZ 2.77Å; E621-R636 IonicContact OE1-NH1 2.67Å; E621-R636 PolarHBondContact OE1-NH1 3.41Å; E621-R636 IonicContact OE1-NH2 2.71Å; E621-R636 PolarHBondContact OE1-NH2 3.01Å; E621-R636 IonicContact OE2-CZ 2.69Å; E621-R636 VanDerWaalsContact OE2-CZ 3.25Å; E621-R636 IonicContact OE2-NH1 2.68Å; E621-R636 PolarHBondContact OE2-NH1 2.88Å; E621-R636 IonicContact OE2-NH2 3.1Å; E621-R636 PolarHBondContact OE2-NH2 2.91Å; V632-R636 PolarHBondContact O-N 2.94Å; H633-R636 PolarHBondContact O-N 3.31Å; R636-I638 VanDerWaalsContact C-N 3.3Å; R636-I638 PolarHBondContact O-N 3.26Å
637I88.7Confident79.5Confident1 Ų137.8 Ų37.81%0.00520%0.202CC..Hα-helixtrans-64.9-40.5-179.9-59.2151.9000109.6L574 R575 L610 Y616 H633 R635L574-I637 HydrophobicContact CB-CG2 4.22Å; L574-I637 HydrophobicContact CD2-CG2 3.82Å; R575-I637 PolarHBondContact NH1-O 3.05Å; R575-I637 PolarHBondContact NH2-O 2.88Å; L610-I637 HydrophobicContact CD1-CB 4.36Å; L610-I637 HydrophobicContact CD1-CD1 4.05Å; L610-I637 HydrophobicContact CD1-CG2 3.86Å; Y616-I637 HydrophobicContact CD1-CD1 4.15Å; Y616-I637 HydrophobicContact CD1-CG1 4.17Å; Y616-I637 HydrophobicContact CD1-CG2 4.16Å; Y616-I637 HydrophobicContact CD2-CD1 4.42Å; Y616-I637 HydrophobicContact CE1-CG2 4.21Å; Y616-I637 HydrophobicContact CG-CD1 3.85Å; Y616-I637 HydrophobicContact CG-CG1 4.33Å; H633-I637 HydrophobicContact CB-CD1 4.48Å; H633-I637 VanDerWaalsContact O-CD1 3.3Å; H633-I637 WeakPolarHBondContact O-CD1 3.47Å; H633-I637 WeakPolarHBondContact O-CG1 3.5Å; H633-I637 PolarHBondContact O-N 3Å; R635-I637 PolarHBondContact O-N 3.36Å
638I90.9Very high80.6Confident0 Ų036.7 Ų36.70%020%0.202CC..Hα-helixtrans-100.5-22.9-168.7-56.7-57.9000114.8L574 L610 L634 R635 R636 P640 F641 L642 L662 L664 V670L574-I638 HydrophobicContact CD2-CD1 3.85Å; L610-I638 HydrophobicContact CD1-CD1 4.29Å; L634-I638 HydrophobicContact CD1-CG1 3.95Å; L634-I638 PolarHBondContact O-N 3.04Å; R635-I638 PolarHBondContact O-N 3.32Å; R636-I638 VanDerWaalsContact C-N 3.3Å; R636-I638 PolarHBondContact O-N 3.26Å; I638-P640 VanDerWaalsContact C-CD 3.43Å; I638-P640 VanDerWaalsContact C-N 3.33Å; I638-F641 WeakPolarHBondContact O-CA 3.22Å; I638-F641 WeakPolarHBondContact O-CB 3.42Å; I638-F641 PolarHBondContact O-N 3.48Å; I638-L642 PolarHBondContact O-N 3.07Å; I638-L662 HydrophobicContact CB-CD2 4.17Å; I638-L662 HydrophobicContact CG2-CD2 3.55Å; I638-L664 HydrophobicContact CG2-CD1 3.83Å; I638-V670 HydrophobicContact CD1-CB 4.41Å; I638-V670 HydrophobicContact CD1-CG1 3.9Å; I638-V670 HydrophobicContact CD1-CG2 3.86Å; I638-V670 HydrophobicContact CG1-CB 4.3Å; I638-V670 HydrophobicContact CG1-CG1 3.97Å; I638-V670 HydrophobicContact CG1-CG2 4.05Å; I638-V670 HydrophobicContact CG2-CG2 4.15Å
639S89Confident81.3Confident8 Ų839.4 Ų39.46%0.05622%0.217CC..G310 helixtrans-50.7-39.3179.4-87.90000115.2M70 R635 F641 L642M70-S639 WeakPolarHBondContact CE-OG 3.28Å; R635-S639 WeakPolarHBondContact O-CB 3.39Å; R635-S639 PolarHBondContact O-N 2.95Å; R635-S639 PolarHBondContact O-OG 2.79Å; R635-S639 VanDerWaalsContact O-OG 3.06Å; S639-F641 PolarHBondContact O-N 3.18Å; S639-L642 PolarHBondContact O-N 3.15Å; S639-L642 VanDerWaalsContact O-N 3.12Å
640P88.7Confident81.5Confident5 Ų536.9 Ų36.93%0.03220%0.204CC..G310 helixtrans-62-22175-26.137.3000114.9L38 P39 W55 I67 Y72 I638L38-P640 HydrophobicContact CD2-CB 4.28Å; P39-P640 HydrophobicContact CG-CB 3.77Å; W55-P640 PolarHBondContact NE1-O 3.28Å; I67-P640 HydrophobicContact CD1-CB 4.3Å; I67-P640 HydrophobicContact CD1-CG 4.45Å; Y72-P640 HydrophobicContact CD1-CG 3.77Å; Y72-P640 HydrophobicContact CD2-CG 4.48Å; Y72-P640 HydrophobicContact CE1-CG 3.42Å; Y72-P640 VanDerWaalsContact CE1-CG 3.42Å; Y72-P640 HydrophobicContact CE2-CG 4.21Å; Y72-P640 HydrophobicContact CG-CG 4.3Å; I638-P640 VanDerWaalsContact C-CD 3.43Å; I638-P640 VanDerWaalsContact C-N 3.33Å
641F88.5Confident81.8Confident3 Ų340.8 Ų40.81%0.01322%0.217CC..G310 helixtrans-92.4-7.5177.7-59.5-90000113.1P39 M54 L574 V580 T583 R584 Y588 I638 S639 L664P39-F641 HydrophobicContact CB-CE1 4.21Å; P39-F641 HydrophobicContact CB-CE2 4.43Å; P39-F641 HydrophobicContact CB-CZ 3.82Å; P39-F641 HydrophobicContact CG-CD2 4.32Å; P39-F641 HydrophobicContact CG-CE1 4.1Å; P39-F641 HydrophobicContact CG-CE2 3.66Å; P39-F641 HydrophobicContact CG-CZ 3.54Å; M54-F641 WeakPolarHBondContact CE-O 3.5Å; M54-F641 VanDerWaalsContact SD-O 3.34Å; L574-F641 HydrophobicContact CD2-CE2 3.83Å; L574-F641 HydrophobicContact CD2-CZ 4.2Å; L574-F641 HydrophobicContact CG-CE2 3.99Å; L574-F641 HydrophobicContact CG-CZ 3.96Å; V580-F641 HydrophobicContact CG1-CE1 4.03Å; V580-F641 HydrophobicContact CG1-CZ 4.26Å; V580-F641 HydrophobicContact CG2-CZ 4.49Å; T583-F641 HydrophobicContact CG2-CB 4.34Å; T583-F641 HydrophobicContact CG2-CD1 3.49Å; T583-F641 VanDerWaalsContact CG2-CD1 3.49Å; T583-F641 HydrophobicContact CG2-CD2 4.37Å; T583-F641 HydrophobicContact CG2-CE1 3.74Å; T583-F641 HydrophobicContact CG2-CG 3.84Å; T583-F641 HydrophobicContact CG2-CZ 4.28Å; R584-F641 HydrophobicContact CG-CD1 3.87Å; R584-F641 HydrophobicContact CG-CE1 4.22Å; Y588-F641 VanDerWaalsContact CE2-O 3.28Å; Y588-F641 WeakPolarHBondContact CE2-O 3.48Å; Y588-F641 PolarHBondContact OH-O 3.22Å; I638-F641 WeakPolarHBondContact O-CA 3.22Å; I638-F641 WeakPolarHBondContact O-CB 3.42Å; I638-F641 PolarHBondContact O-N 3.48Å; S639-F641 PolarHBondContact O-N 3.18Å; F641-L664 HydrophobicContact CB-CD1 3.68Å; F641-L664 HydrophobicContact CB-CD2 4.44Å; F641-L664 WeakPolarHBondContact O-CD1 3.23Å
642L87.3Confident81.9Confident3 Ų339 Ų392%0.01621%0.209CC..SBendtrans-80.5144.5-179.6-76.1173000112.7M54 I638 S639 I647 N650 L662 L664M54-L642 VanDerWaalsContact CE-C 3.4Å; M54-L642 WeakPolarHBondContact CE-O 3.49Å; I638-L642 PolarHBondContact O-N 3.07Å; S639-L642 PolarHBondContact O-N 3.15Å; S639-L642 VanDerWaalsContact O-N 3.12Å; L642-I647 HydrophobicContact CB-CG1 4.02Å; L642-I647 HydrophobicContact CD1-CG1 4.44Å; L642-N650 HydrophobicContact CD1-CB 4.39Å; L642-N650 VanDerWaalsContact CD2-ND2 3.26Å; L642-N650 WeakPolarHBondContact CD2-ND2 3.42Å; L642-L662 HydrophobicContact CD2-CD2 4.47Å; L642-L664 HydrophobicContact CD2-CD1 3.95Å; L642-L664 HydrophobicContact CG-CD1 4.35Å
643Q82Confident82.1Confident40 Ų4037.3 Ų37.319%0.18720%0.2CC..  trans-66.2138166.8-61.3176.9-67.200109.9M54 Y588 D645 K646 I647M54-Q643 HydrophobicContact CE-CB 4.19Å; M54-Q643 HydrophobicContact CE-CG 3.58Å; Y588-Q643 HydrophobicContact CE1-CG 3.75Å; Q643-D645 WeakPolarHBondContact CB-OD1 3.25Å; Q643-D645 PolarHBondContact O-N 2.78Å; Q643-D645 VanDerWaalsContact O-N 3.13Å; Q643-K646 PolarHBondContact O-N 2.71Å; Q643-I647 PolarHBondContact O-N 3.12Å
644P78.3Confident82Confident62 Ų6240.2 Ų40.240%0.40321%0.213SC..THydrogen-bonded Turntrans-57.2-30.9-171.7-28.835.6000115.5W55W55-P644 HydrophobicContact CH2-CB 4.24Å; W55-P644 HydrophobicContact CH2-CG 3.91Å; W55-P644 HydrophobicContact CZ2-CG 4.25Å; W55-P644 HydrophobicContact CZ3-CG 4.38Å
645D77.6Confident81.4Confident105 Ų10541.3 Ų41.356%0.56122%0.22SC*.THydrogen-bonded Turntrans-69.6-29.8176.662.6-58000113.4Q643Q643-D645 WeakPolarHBondContact CB-OD1 3.25Å; Q643-D645 PolarHBondContact O-N 2.78Å; Q643-D645 VanDerWaalsContact O-N 3.13Å
646K79.3Confident80.6Confident37 Ų3746.8 Ų46.816%0.16125%0.249CC..THydrogen-bonded Turntrans-86.1-14-179.5-61.1-162.1179.1-174.40113.7Q643 T649 N650 D666Q643-K646 PolarHBondContact O-N 2.71Å; K646-T649 PolarHBondContact O-N 3.46Å; K646-T649 PolarHBondContact O-OG1 3.03Å; K646-N650 WeakPolarHBondContact O-CB 3.23Å; K646-N650 PolarHBondContact O-N 3.12Å; K646-D666 IonicContact NZ-OD1 2.74Å; K646-D666 PolarHBondContact NZ-OD1 2.91Å; K646-D666 IonicContact NZ-OD2 2.67Å; K646-D666 PolarHBondContact NZ-OD2 3.24Å
647I77.2Confident79.8Confident25 Ų2549.3 Ų49.313%0.12827%0.268CS..THydrogen-bonded Turntrans-55.8-53.3179.3-64.6173.7000113.4W55 I67 L642 Q643 T649W55-I647 HydrophobicContact CH2-CD1 3.58Å; W55-I647 HydrophobicContact CZ2-CD1 3.84Å; I67-I647 HydrophobicContact CG2-CD1 3.64Å; L642-I647 HydrophobicContact CB-CG1 4.02Å; L642-I647 HydrophobicContact CD1-CG1 4.44Å; Q643-I647 PolarHBondContact O-N 3.12Å; I647-T649 VanDerWaalsContact C-N 3.27Å; I647-T649 PolarHBondContact O-N 3.43Å
648P70.2Confident79.3Confident104 Ų10454.9 Ų54.968%0.67530%0.298SS*.THydrogen-bonded Turntrans-72.3-18.8-176.729.2-36.7000113.9
649T69.3Low78.9Confident95 Ų9555.3 Ų55.358%0.58330%0.3SS*.THydrogen-bonded Turntrans-101.7-5.6-177.750.20000113.4K646 I647 H651K646-T649 PolarHBondContact O-N 3.46Å; K646-T649 PolarHBondContact O-OG1 3.03Å; I647-T649 VanDerWaalsContact C-N 3.27Å; I647-T649 PolarHBondContact O-N 3.43Å; T649-H651 PolarHBondContact O-CD2 2.9Å; T649-H651 PolarHBondContact O-N 3.46Å
650N75.1Confident78.9Confident16 Ų1655.4 Ų55.49%0.08630%0.301CS..  trans-77.8124.7179.7-145.8-26.6000111.3R635 L642 K646 S663R635-N650 VanDerWaalsContact CZ-O 3.28Å; R635-N650 PolarHBondContact NH1-O 3.15Å; R635-N650 PolarHBondContact NH2-O 3.16Å; L642-N650 HydrophobicContact CD1-CB 4.39Å; L642-N650 VanDerWaalsContact CD2-ND2 3.26Å; L642-N650 WeakPolarHBondContact CD2-ND2 3.42Å; K646-N650 WeakPolarHBondContact O-CB 3.23Å; K646-N650 PolarHBondContact O-N 3.12Å; N650-S663 PolarHBondContact ND2-O 3.29Å
651H78.3Confident79Confident139 Ų13955.5 Ų55.564%0.64430%0.302SS*.  trans-118.1141.7176.1-65.8-82.1000109.3T649T649-H651 PolarHBondContact O-CD2 2.9Å; T649-H651 PolarHBondContact O-N 3.46Å
652I80.8Confident79.1Confident22 Ų2255.5 Ų55.511%0.11330%0.302CS..  trans-80.1129.2173.3-70.6179000108.4E631 L634 R635 F654 P660 S661 L662E631-I652 VanDerWaalsContact CA-CD1 3.48Å; E631-I652 HydrophobicContact CB-CD1 3.83Å; E631-I652 HydrophobicContact CG-CB 4.18Å; E631-I652 HydrophobicContact CG-CD1 4.06Å; E631-I652 HydrophobicContact CG-CG2 3.96Å; E631-I652 WeakPolarHBondContact O-CD1 3.49Å; L634-I652 HydrophobicContact CB-CD1 4.02Å; L634-I652 HydrophobicContact CD2-CD1 4Å; L634-I652 HydrophobicContact CD2-CG1 4.4Å; L634-I652 HydrophobicContact CD2-CG2 4.48Å; L634-I652 HydrophobicContact CG-CD1 4.12Å; R635-I652 HydrophobicContact CG-CD1 3.84Å; I652-F654 HydrophobicContact CG2-CE2 4.25Å; I652-F654 HydrophobicContact CG2-CZ 4.37Å; I652-P660 HydrophobicContact CG2-CB 4.11Å; I652-S661 CarbonylContact C-O 3.46Å; I652-S661 WeakPolarHBondContact CA-O 3.25Å; I652-S661 WeakPolarHBondContact CG2-O 3.41Å; I652-L662 HydrophobicContact CD1-CD1 4.31Å; I652-L662 HydrophobicContact CG1-CB 4.26Å; I652-L662 HydrophobicContact CG1-CD1 3.81Å
653S81.6Confident79.2Confident26 Ų2657.7 Ų57.718%0.18232%0.318CS..EExtended strand (participates in β ladder)trans-100.5151.3172.443.50000110.6M328 S661M328-S653 VanDerWaalsContact CE-CB 3.41Å; S653-S661 PolarHBondContact N-O 3.04Å; S653-S661 PolarHBondContact O-N 3.27Å; S653-S661 PolarHBondContact O-OG 3.07Å; S653-S661 PolarHBondContact OG-O 3.11Å; S653-S661 PolarHBondContact OG-OG 3.2Å
654F80Confident79.5Confident69 Ų6955.8 Ų55.830%0.30331%0.309SS..EExtended strand (participates in β ladder)trans-108.7141.5171.8-67.9-90.2000110.5E631 I652 N658 T659 P660E631-F654 HydrophobicContact CG-CE2 4.28Å; E631-F654 HydrophobicContact CG-CZ 3.82Å; I652-F654 HydrophobicContact CG2-CE2 4.25Å; I652-F654 HydrophobicContact CG2-CZ 4.37Å; F654-N658 WeakPolarHBondContact CD1-O 3.24Å; F654-T659 WeakPolarHBondContact CA-O 3.23Å; F654-P660 HydrophobicContact CD1-CB 4.34Å; F654-P660 HydrophobicContact CE1-CB 3.91Å
655S74.3Confident79.9Confident23 Ų2353 Ų5316%0.16129%0.291CS..  trans-69.1177.4168730000110.9S657 N658 T659S655-S657 PolarHBondContact O-N 2.58Å; S655-S657 PolarHBondContact OG-N 3.28Å; S655-S657 PolarHBondContact OG-OG 3.42Å; S655-N658 PolarHBondContact O-N 3.06Å; S655-N658 PolarHBondContact OG-N 3.24Å; S655-T659 PolarHBondContact N-O 2.92Å; S655-T659 VanDerWaalsContact OG-CB 3.26Å; S655-T659 WeakPolarHBondContact OG-CB 3.4Å; S655-T659 PolarHBondContact OG-N 2.63Å
656Q69.3Low80.2Confident190 Ų19053.4 Ų53.489%0.88829%0.293SS*.THydrogen-bonded Turntrans-68-28.4171-69.8-179.5-19.200112.1N658Q656-N658 PolarHBondContact O-N 2.77Å
657S69.6Low80.6Confident62 Ų6253 Ų5343%0.43429%0.294SS..THydrogen-bonded Turntrans-83.118170.647.80000113.4E280 S655 T659E280-S657 PolarHBondContact OE1-OG 2.96Å; E280-S657 WeakPolarHBondContact OE2-CB 3.36Å; E280-S657 PolarHBondContact OE2-OG 3.17Å; S655-S657 PolarHBondContact O-N 2.58Å; S655-S657 PolarHBondContact OG-N 3.28Å; S655-S657 PolarHBondContact OG-OG 3.42Å; S657-T659 PolarHBondContact O-N 3.37Å; S657-T659 VanDerWaalsContact O-N 3.14Å
658N77.9Confident81.3Confident118 Ų11851.9 Ų51.963%0.63129%0.288SS*.  trans56.725.3179-161.254.6000115.5F654 S655 Q656F654-N658 WeakPolarHBondContact CD1-O 3.24Å; S655-N658 PolarHBondContact O-N 3.06Å; S655-N658 PolarHBondContact OG-N 3.24Å; Q656-N658 PolarHBondContact O-N 2.77Å
659T83.1Confident82.4Confident9 Ų947.4 Ų47.46%0.05526%0.259CS..  trans-76.8123.7175.9-65.80000110.5F654 S655 S657 Y671 L673F654-T659 WeakPolarHBondContact CA-O 3.23Å; S655-T659 PolarHBondContact N-O 2.92Å; S655-T659 VanDerWaalsContact OG-CB 3.26Å; S655-T659 WeakPolarHBondContact OG-CB 3.4Å; S655-T659 PolarHBondContact OG-N 2.63Å; S657-T659 PolarHBondContact O-N 3.37Å; S657-T659 VanDerWaalsContact O-N 3.14Å; T659-Y671 HydrophobicContact CG2-CD1 4.33Å; T659-L673 HydrophobicContact CG2-CD2 3.49Å; T659-L673 VanDerWaalsContact CG2-CD2 3.49Å; T659-L673 HydrophobicContact CG2-CG 4.06Å; T659-L673 VanDerWaalsContact OG1-CD2 3.25Å; T659-L673 WeakPolarHBondContact OG1-CD2 3.38Å
660P87.8Confident83.7Confident10 Ų1042.9 Ų42.97%0.06523%0.231CC..EExtended strand (participates in β ladder)trans-69.6135.3175.629-34.5000111.2P630 L634 I652 F654 W672P630-P660 HydrophobicContact CB-CG 4.39Å; L634-P660 HydrophobicContact CD2-CB 4.06Å; I652-P660 HydrophobicContact CG2-CB 4.11Å; F654-P660 HydrophobicContact CD1-CB 4.34Å; F654-P660 HydrophobicContact CE1-CB 3.91Å; P660-W672 WeakPolarHBondContact CD-O 3.18Å; P660-W672 HydrophobicContact CG-CB 4.3Å; P660-W672 PolarHBondContact O-N 2.69Å
661S90.8Very high84.5Confident8 Ų842.6 Ų42.66%0.05623%0.229CC..EExtended strand (participates in β ladder)trans-144.6149-175.658.50000112.2I652 S653 V670I652-S661 CarbonylContact C-O 3.46Å; I652-S661 WeakPolarHBondContact CA-O 3.25Å; I652-S661 WeakPolarHBondContact CG2-O 3.41Å; S653-S661 PolarHBondContact N-O 3.04Å; S653-S661 PolarHBondContact O-N 3.27Å; S653-S661 PolarHBondContact O-OG 3.07Å; S653-S661 PolarHBondContact OG-O 3.11Å; S653-S661 PolarHBondContact OG-OG 3.2Å; S661-V670 CarbonylContact C-O 3.52Å; S661-V670 WeakPolarHBondContact CA-O 3.44Å; S661-V670 WeakPolarHBondContact CB-O 3.43Å
662L90.6Very high85.1Confident2 Ų236.4 Ų36.41%0.0120%0.2CC..EExtended strand (participates in β ladder)trans-144129.7-174.9179.1136.3000110.3L634 R635 I638 L642 I652 L664 V670L634-L662 HydrophobicContact CD2-CB 4.08Å; L634-L662 HydrophobicContact CG-CB 4.29Å; R635-L662 HydrophobicContact CG-CD1 4.4Å; I638-L662 HydrophobicContact CB-CD2 4.17Å; I638-L662 HydrophobicContact CG2-CD2 3.55Å; L642-L662 HydrophobicContact CD2-CD2 4.47Å; I652-L662 HydrophobicContact CD1-CD1 4.31Å; I652-L662 HydrophobicContact CG1-CB 4.26Å; I652-L662 HydrophobicContact CG1-CD1 3.81Å; L662-L664 PolarHBondContact O-N 2.98Å; L662-V670 PolarHBondContact N-O 3.04Å; L662-V670 PolarHBondContact O-N 3.17Å
663S90.3Very high85.5Confident50 Ų5035.5 Ų35.535%0.3520%0.195SC..EExtended strand (participates in β ladder)trans-76.1117.2176-143.30000109.4N650 S665N650-S663 PolarHBondContact ND2-O 3.29Å; S663-S665 PolarHBondContact OG-O 3.46Å
664L88.8Confident85.6Confident0 Ų035.9 Ų35.90%020%0.197CC..SBendtrans-82.8-35177.8173.156.3000111.1T583 A587 Y588 I608 I638 F641 L642 L662 A668 V670T583-L664 HydrophobicContact CG2-CD2 3.62Å; A587-L664 HydrophobicContact CB-CD2 3.73Å; A587-L664 HydrophobicContact CB-CG 3.72Å; Y588-L664 PolarHBondContact OH-O 2.98Å; I608-L664 HydrophobicContact CD1-CD2 3.95Å; I638-L664 HydrophobicContact CG2-CD1 3.83Å; F641-L664 HydrophobicContact CB-CD1 3.68Å; F641-L664 HydrophobicContact CB-CD2 4.44Å; F641-L664 WeakPolarHBondContact O-CD1 3.23Å; L642-L664 HydrophobicContact CD2-CD1 3.95Å; L642-L664 HydrophobicContact CG-CD1 4.35Å; L662-L664 PolarHBondContact O-N 2.98Å; L664-A668 HydrophobicContact CB-CB 4.43Å; L664-A668 PolarHBondContact N-O 3Å; L664-V670 HydrophobicContact CB-CG2 4.04Å; L664-V670 HydrophobicContact CD2-CG2 4.27Å
665S86.5Confident85.8Confident4 Ų432.8 Ų32.83%0.02818%0.184CC..SBendtrans-149.9-171.2169.6780000110.2A587 S663 T667 A668A587-S665 WeakPolarHBondContact CA-OG 3.38Å; A587-S665 WeakPolarHBondContact O-CB 3.42Å; A587-S665 PolarHBondContact O-OG 2.91Å; S663-S665 PolarHBondContact OG-O 3.46Å; S665-T667 PolarHBondContact O-N 3.21Å; S665-T667 PolarHBondContact OG-N 2.68Å; S665-T667 PolarHBondContact OG-OG1 3.31Å; S665-T667 VanDerWaalsContact OG-OG1 3.05Å; S665-A668 PolarHBondContact N-O 2.92Å; S665-A668 PolarHBondContact OG-N 2.68Å
666D84.3Confident86.3Confident112 Ų11232.4 Ų32.460%0.59918%0.179SC*.SBendtrans-79.87.5172.8-37.8-60.8000112.2H605 K646H605-D666 PolarHBondContact ND1-O 3.2Å; K646-D666 IonicContact NZ-OD1 2.74Å; K646-D666 PolarHBondContact NZ-OD1 2.91Å; K646-D666 IonicContact NZ-OD2 2.67Å; K646-D666 PolarHBondContact NZ-OD2 3.24Å
667T87.3Confident87Confident30 Ų3024.2 Ų24.218%0.18414%0.144CC..SBendtrans-137.13.1177.655.40000113.8L586 A587 P603 N606 S665L586-T667 PolarHBondContact O-OG1 3.25Å; A587-T667 PolarHBondContact O-OG1 2.87Å; A587-T667 VanDerWaalsContact O-OG1 3.12Å; P603-T667 HydrophobicContact CB-CG2 3.92Å; P603-T667 HydrophobicContact CG-CG2 3.94Å; N606-T667 WeakPolarHBondContact CB-O 3.48Å; N606-T667 PolarHBondContact N-O 3.47Å; N606-T667 PolarHBondContact ND2-O 3.36Å; S665-T667 PolarHBondContact O-N 3.21Å; S665-T667 PolarHBondContact OG-N 2.68Å; S665-T667 PolarHBondContact OG-OG1 3.31Å; S665-T667 VanDerWaalsContact OG-OG1 3.05Å
668A91.4Very high87.9Confident0 Ų021.5 Ų21.50%012%0.124CC..EExtended strand (participates in β ladder)trans-146.2129.6177.300000112.7A587 H605 N606 L664 S665A587-A668 HydrophobicContact CB-CB 4.19Å; H605-A668 PolarHBondContact CE1-N 3.21Å; N606-A668 WeakPolarHBondContact O-CA 3.44Å; L664-A668 HydrophobicContact CB-CB 4.43Å; L664-A668 PolarHBondContact N-O 3Å; S665-A668 PolarHBondContact N-O 2.92Å; S665-A668 PolarHBondContact OG-N 2.68Å
669T94.3Very high88.5Confident11 Ų1116 Ų167%0.06710%0.095CC..EExtended strand (participates in β ladder)trans-111.5135.5169.2-60.50000110.1H605 N606 S607 I608 Y671H605-T669 PolarHBondContact NE2-N 3.35Å; H605-T669 PolarHBondContact NE2-OG1 3.39Å; N606-T669 PolarHBondContact O-N 3.3Å; S607-T669 CarbonylContact C-O 3.45Å; S607-T669 WeakPolarHBondContact CA-O 3.24Å; I608-T669 PolarHBondContact N-O 3.28Å; T669-Y671 HydrophobicContact CG2-CD2 4.09Å; T669-Y671 HydrophobicContact CG2-CE1 4.33Å; T669-Y671 HydrophobicContact CG2-CE2 3.52Å
670V95Very high88.7Confident0 Ų015.6 Ų15.60%09%0.093CC..EExtended strand (participates in β ladder)trans-95.4136.4169.8-172.90000109.2I608 L610 L634 I638 S661 L662 L664I608-V670 HydrophobicContact CB-CG2 4.19Å; I608-V670 HydrophobicContact CD1-CG2 4.38Å; I608-V670 CarbonylContact O-C 3.54Å; I608-V670 VanDerWaalsContact O-CA 3.28Å; I608-V670 WeakPolarHBondContact O-CA 3.5Å; L610-V670 HydrophobicContact CD1-CG1 3.88Å; L610-V670 HydrophobicContact CD2-CG1 4.37Å; L610-V670 HydrophobicContact CG-CG1 3.78Å; L634-V670 HydrophobicContact CD1-CB 4.49Å; L634-V670 HydrophobicContact CD1-CG1 3.86Å; I638-V670 HydrophobicContact CD1-CB 4.41Å; I638-V670 HydrophobicContact CD1-CG1 3.9Å; I638-V670 HydrophobicContact CD1-CG2 3.86Å; I638-V670 HydrophobicContact CG1-CB 4.3Å; I638-V670 HydrophobicContact CG1-CG1 3.97Å; I638-V670 HydrophobicContact CG1-CG2 4.05Å; I638-V670 HydrophobicContact CG2-CG2 4.15Å; S661-V670 CarbonylContact C-O 3.52Å; S661-V670 WeakPolarHBondContact CA-O 3.44Å; S661-V670 WeakPolarHBondContact CB-O 3.43Å; L662-V670 PolarHBondContact N-O 3.04Å; L662-V670 PolarHBondContact O-N 3.17Å; L664-V670 HydrophobicContact CB-CG2 4.04Å; L664-V670 HydrophobicContact CD2-CG2 4.27Å
671Y93.5Very high88.6Confident9 Ų915.4 Ų15.44%0.0359%0.092CC..EExtended strand (participates in β ladder)trans-118.5145170.2-60.6-97.6000108.1I284 F327 I608 L610 T659 T669I284-Y671 HydrophobicContact CD1-CD1 3.73Å; I284-Y671 HydrophobicContact CD1-CD2 4.39Å; I284-Y671 HydrophobicContact CD1-CE1 4.28Å; I284-Y671 HydrophobicContact CD1-CG 3.81Å; I284-Y671 HydrophobicContact CG1-CD1 4.47Å; I284-Y671 HydrophobicContact CG2-CD2 4.12Å; I284-Y671 HydrophobicContact CG2-CE2 4.14Å; F327-Y671 WeakPolarHBondContact CD1-OH 3.33Å; F327-Y671 HydrophobicContact CE1-CE2 4.44Å; I608-Y671 PolarHBondContact O-N 3.37Å; L610-Y671 PolarHBondContact N-O 3.41Å; T659-Y671 HydrophobicContact CG2-CD1 4.33Å; T669-Y671 HydrophobicContact CG2-CD2 4.09Å; T669-Y671 HydrophobicContact CG2-CE1 4.33Å; T669-Y671 HydrophobicContact CG2-CE2 3.52Å
672W90.3Very high88.1Confident9 Ų921.2 Ų21.23%0.03412%0.118CC..EExtended strand (participates in β ladder)trans-118.3115.6168.5176.227.3000110.8L610 V617 P630 H633 L634 P660 P674L610-W672 HydrophobicContact CB-CB 4.26Å; L610-W672 HydrophobicContact CB-CG 4.37Å; V617-W672 HydrophobicContact CG2-CH2 3.64Å; V617-W672 HydrophobicContact CG2-CZ2 3.82Å; P630-W672 VanDerWaalsContact CA-CZ3 3.47Å; P630-W672 HydrophobicContact CB-CE3 3.8Å; P630-W672 HydrophobicContact CB-CH2 4.06Å; P630-W672 HydrophobicContact CB-CZ3 3.33Å; P630-W672 WeakPolarHBondContact O-CZ3 3.36Å; H633-W672 HydrophobicContact CB-CH2 4.14Å; H633-W672 HydrophobicContact CB-CZ3 3.8Å; L634-W672 HydrophobicContact CB-CE3 4.36Å; L634-W672 HydrophobicContact CD1-CB 4.32Å; P660-W672 WeakPolarHBondContact CD-O 3.18Å; P660-W672 HydrophobicContact CG-CB 4.3Å; P660-W672 PolarHBondContact O-N 2.69Å; W672-P674 HydrophobicContact CZ2-CB 4.24Å
673L89.4Confident88Confident3 Ų323 Ų232%0.01613%0.127CC..  trans-114.996.3175.9-71.8178000108.1T277 E280 F281 I284 I609 L610 I611 T659 M675T277-L673 HydrophobicContact CG2-CB 3.76Å; T277-L673 HydrophobicContact CG2-CD2 3.98Å; T277-L673 HydrophobicContact CG2-CG 4.38Å; E280-L673 HydrophobicContact CB-CD1 4.43Å; E280-L673 HydrophobicContact CB-CD2 4.17Å; E280-L673 HydrophobicContact CG-CD1 4.28Å; E280-L673 HydrophobicContact CG-CD2 3.86Å; F281-L673 HydrophobicContact CB-CD1 3.69Å; I284-L673 HydrophobicContact CD1-CD1 4.01Å; I609-L673 HydrophobicContact CG2-CB 4.4Å; I609-L673 HydrophobicContact CG2-CD1 3.87Å; I609-L673 HydrophobicContact CG2-CG 4.26Å; L610-L673 PolarHBondContact O-N 2.87Å; I611-L673 WeakPolarHBondContact CA-O 3.25Å; I611-L673 VanDerWaalsContact O-O 3.1Å; T659-L673 HydrophobicContact CG2-CD2 3.49Å; T659-L673 VanDerWaalsContact CG2-CD2 3.49Å; T659-L673 HydrophobicContact CG2-CG 4.06Å; T659-L673 VanDerWaalsContact OG1-CD2 3.25Å; T659-L673 WeakPolarHBondContact OG1-CD2 3.38Å; L673-M675 HydrophobicContact CD1-CE 4.49Å; L673-M675 PolarHBondContact O-N 3.03Å
674P83.2Confident87.9Confident35 Ų3520.7 Ų20.723%0.22711%0.11CC..  trans-67.196.3-177.126-33.6000111.7W672W672-P674 HydrophobicContact CZ2-CB 4.24Å
675M84.8Confident87.9Confident3 Ų323.1 Ų23.12%0.01512%0.123CC..  trans-105.791.6-179.9-68.8179.8163.600110.7L274 T277 V278 F281 I304 L308 I611 L673L274-M675 HydrophobicContact CD1-CB 4.16Å; L274-M675 HydrophobicContact CD1-CG 4.12Å; T277-M675 HydrophobicContact CG2-CE 4.05Å; T277-M675 HydrophobicContact CG2-CG 3.82Å; T277-M675 WeakPolarHBondContact O-CE 3.46Å; V278-M675 HydrophobicContact CB-CE 4.26Å; V278-M675 HydrophobicContact CG2-CE 3.75Å; F281-M675 HydrophobicContact CB-CE 3.36Å; F281-M675 HydrophobicContact CD1-CE 4.46Å; F281-M675 HydrophobicContact CD2-CE 4.37Å; F281-M675 HydrophobicContact CG-CE 3.86Å; I304-M675 HydrophobicContact CD1-CB 4.44Å; L308-M675 HydrophobicContact CD1-SD 3.95Å; L308-M675 HydrophobicContact CD2-CE 4.12Å; L308-M675 HydrophobicContact CD2-SD 3.74Å; L308-M675 HydrophobicContact CG-SD 4.5Å; I611-M675 HydrophobicContact CB-CB 4.24Å; I611-M675 HydrophobicContact CB-SD 4.14Å; I611-M675 HydrophobicContact CG2-CG 4.47Å; I611-M675 HydrophobicContact CG2-SD 3.66Å; I611-M675 PolarHBondContact O-N 2.71Å; L673-M675 HydrophobicContact CD1-CE 4.49Å; L673-M675 PolarHBondContact O-N 3.03Å
676E83.1Confident88Confident16 Ų1627.8 Ų27.88%0.07515%0.145CC..  trans-138.2109170.5177.8163.5-151.600109.2R104 N267 S613 G614 R678R104-E676 IonicContact CZ-OE1 2.66Å; R104-E676 IonicContact NH1-OE1 2.74Å; R104-E676 PolarHBondContact NH1-OE1 3.25Å; R104-E676 IonicContact NH2-OE1 3.67Å; N267-E676 PolarHBondContact ND2-O 3.45Å; S613-E676 WeakPolarHBondContact OG-CB 3.32Å; S613-E676 PolarHBondContact OG-OE2 3.17Å; G614-E676 PolarHBondContact N-OE2 3.38Å; E676-R678 HydrophobicContact CG-CB 3.87Å; E676-R678 PolarHBondContact O-N 3.27Å; E676-R678 IonicContact OE1-CZ 2.74Å; E676-R678 IonicContact OE1-NE 2.64Å; E676-R678 PolarHBondContact OE1-NE 2.87Å; E676-R678 IonicContact OE1-NH2 2.58Å; E676-R678 PolarHBondContact OE1-NH2 3.19Å; E676-R678 IonicContact OE2-NH2 3.81Å
677A84.4Confident88.4Confident18 Ų1822.5 Ų22.515%0.14912%0.116CC..  trans-64.5-5.8-175.600000114.5S241 L243 L274 I304 I679S241-A677 WeakPolarHBondContact CB-O 3.49Å; S241-A677 PolarHBondContact OG-O 3.19Å; L243-A677 HydrophobicContact CD1-CB 4.14Å; L274-A677 HydrophobicContact CD2-CB 4.41Å; I304-A677 HydrophobicContact CD1-CB 4.5Å; A677-I679 PolarHBondContact O-N 2.89Å
678R89.6Confident88.6Confident4 Ų421 Ų212%0.01511%0.108CC..SBendtrans-61.9134175.8-165.4-154.4-44.4-145.53.2109.8H10 Y218 H239 T240 T265 N267 E676 G680H10-R678 PolarHBondContact O-NH1 3.17Å; Y218-R678 HydrophobicContact CD2-CB 3.92Å; Y218-R678 HydrophobicContact CD2-CG 4.4Å; Y218-R678 HydrophobicContact CE2-CB 3.7Å; Y218-R678 HydrophobicContact CE2-CG 4.36Å; H239-R678 HydrophobicContact CB-CG 4.38Å; H239-R678 PolarHBondContact CD2-NH1 3.13Å; H239-R678 PolarHBondContact NE2-NH1 3.48Å; H239-R678 VanDerWaalsContact NE2-NH1 3.15Å; H239-R678 PolarHBondContact NE2-NH2 3.21Å; T240-R678 WeakPolarHBondContact O-CA 3.37Å; T265-R678 PolarHBondContact OG1-NH1 3.4Å; N267-R678 HydrophobicContact CB-CB 4.12Å; N267-R678 HydrophobicContact CB-CG 4.45Å; N267-R678 VanDerWaalsContact CB-O 3.24Å; N267-R678 WeakPolarHBondContact CB-O 3.35Å; E676-R678 HydrophobicContact CG-CB 3.87Å; E676-R678 PolarHBondContact O-N 3.27Å; E676-R678 IonicContact OE1-CZ 2.74Å; E676-R678 IonicContact OE1-NE 2.64Å; E676-R678 PolarHBondContact OE1-NE 2.87Å; E676-R678 IonicContact OE1-NH2 2.58Å; E676-R678 PolarHBondContact OE1-NH2 3.19Å; E676-R678 IonicContact OE2-NH2 3.81Å; R678-G680 PolarHBondContact O-N 3.26Å
679I89.8Confident88.6Confident2 Ų228.1 Ų28.11%0.0114%0.138CC..PPolyproline II helixtrans-50.6131.6-173.1-165.2173.7000113.3T240 L242 N267 A677 Q683 L687T240-I679 PolarHBondContact O-N 3.45Å; L242-I679 HydrophobicContact CD1-CD1 3.86Å; L242-I679 HydrophobicContact CG-CD1 4.07Å; N267-I679 WeakPolarHBondContact CB-O 3.47Å; N267-I679 PolarHBondContact N-O 3.47Å; A677-I679 PolarHBondContact O-N 2.89Å; I679-Q683 HydrophobicContact CD1-CB 3.92Å; I679-Q683 HydrophobicContact CG1-CB 3.58Å; I679-L687 HydrophobicContact CD1-CB 3.54Å; I679-L687 HydrophobicContact CD1-CD2 3.8Å; I679-L687 HydrophobicContact CD1-CG 4.16Å
680G87.3Confident88.4Confident1 Ų132.4 Ų32.41%0.0115%0.153CC..BIsolated β-bridgetrans-78.3157.117700000112.9R678 Q682 Q683R678-G680 PolarHBondContact O-N 3.26Å; G680-Q682 PolarHBondContact O-N 3.2Å; G680-Q683 PolarHBondContact O-N 2.89Å
681A84.9Confident88.3Confident7 Ų732.7 Ų32.76%0.05816%0.155CC..G310 helixtrans-56.2-34.8177.600000112.9V266 M268 Q683 I684 K707 F709V266-A681 HydrophobicContact CG1-CB 4Å; M268-A681 HydrophobicContact SD-CB 4.24Å; A681-Q683 PolarHBondContact O-N 2.82Å; A681-I684 HydrophobicContact CB-CD1 4.42Å; A681-I684 WeakPolarHBondContact O-CB 3.13Å; A681-I684 WeakPolarHBondContact O-CD1 3.39Å; A681-I684 WeakPolarHBondContact O-CG1 3.18Å; A681-I684 PolarHBondContact O-N 3.08Å; A681-K707 HydrophobicContact CB-CD 3.73Å; A681-F709 VanDerWaalsContact O-CE1 3.24Å; A681-F709 WeakPolarHBondContact O-CE1 3.43Å
682Q82.1Confident88.1Confident129 Ų12933.8 Ų33.860%0.60317%0.169SC*.G310 helixtrans-71.7-12.2-179.8-62.1-170.289.600114.3D272 G680D272-Q682 PolarHBondContact OD1-NE2 3.22Å; D272-Q682 PolarHBondContact OD2-NE2 3.17Å; G680-Q682 PolarHBondContact O-N 3.2Å
683Q86.9Confident88Confident40 Ų4037.1 Ų37.119%0.18719%0.185CC..G310 helixtrans-1022.1-178.8-62.5168.9-45.900112.8I679 G680 A681 D685 Q686 L687I679-Q683 HydrophobicContact CD1-CB 3.92Å; I679-Q683 HydrophobicContact CG1-CB 3.58Å; G680-Q683 PolarHBondContact O-N 2.89Å; A681-Q683 PolarHBondContact O-N 2.82Å; Q683-D685 PolarHBondContact O-N 2.95Å; Q683-Q686 WeakPolarHBondContact O-CB 3.48Å; Q683-Q686 PolarHBondContact O-N 2.87Å; Q683-L687 PolarHBondContact O-N 2.82Å; Q683-L687 VanDerWaalsContact O-N 3.15Å
684I89.8Confident88.2Confident1 Ų137.1 Ų37.11%0.00519%0.186CC..Hα-helixtrans-59.3-32.8-178.6-74.3173.7000111.8V266 A681 L687 I688 V704 F709 W711V266-I684 HydrophobicContact CG1-CD1 4.08Å; V266-I684 HydrophobicContact CG1-CG1 4.48Å; V266-I684 HydrophobicContact CG2-CD1 3.96Å; V266-I684 HydrophobicContact CG2-CG1 4.42Å; A681-I684 HydrophobicContact CB-CD1 4.42Å; A681-I684 WeakPolarHBondContact O-CB 3.13Å; A681-I684 WeakPolarHBondContact O-CD1 3.39Å; A681-I684 WeakPolarHBondContact O-CG1 3.18Å; A681-I684 PolarHBondContact O-N 3.08Å; I684-L687 PolarHBondContact O-N 3.32Å; I684-I688 HydrophobicContact CG2-CD1 3.46Å; I684-I688 VanDerWaalsContact CG2-CD1 3.46Å; I684-I688 HydrophobicContact CG2-CG1 4.34Å; I684-I688 WeakPolarHBondContact O-CD1 3.37Å; I684-I688 WeakPolarHBondContact O-CG1 3.44Å; I684-I688 PolarHBondContact O-N 3.42Å; I684-V704 HydrophobicContact CD1-CG1 3.18Å; I684-F709 HydrophobicContact CD1-CE1 4.32Å; I684-F709 HydrophobicContact CD1-CZ 3.92Å; I684-W711 HydrophobicContact CG2-CH2 4.4Å
685D88.1Confident88.5Confident51 Ų5140 Ų4027%0.27319%0.192SC..Hα-helixtrans-67.5-41178.575.5-46.7000112.1Q683 L687 I688 K689 I714Q683-D685 PolarHBondContact O-N 2.95Å; D685-L687 VanDerWaalsContact C-N 3.34Å; D685-L687 PolarHBondContact O-N 3.33Å; D685-I688 PolarHBondContact O-N 2.99Å; D685-K689 WeakPolarHBondContact O-CB 3.37Å; D685-K689 PolarHBondContact O-N 3.44Å; D685-I714 HydrophobicContact CB-CD1 3.92Å; D685-I714 HydrophobicContact CB-CG1 4.45Å
686Q89Confident88.7Confident103 Ų10342 Ų4248%0.48120%0.202SC..Hα-helixtrans-62-41.6174.2-57.6177.85.400111.4L242 Q683 K689 R690L242-Q686 HydrophobicContact CD1-CB 3.97Å; Q683-Q686 WeakPolarHBondContact O-CB 3.48Å; Q683-Q686 PolarHBondContact O-N 2.87Å; Q686-K689 PolarHBondContact O-N 3.17Å; Q686-R690 PolarHBondContact O-N 3.37Å; Q686-R690 VanDerWaalsContact O-N 3.11Å
687L92.4Very high89.3Confident0 Ų041.2 Ų41.20%020%0.198CC..Hα-helixtrans-64.9-48.1176.6178.563.2000112.1I237 T240 L242 F250 I263 I679 Q683 I684 D685 K689 R690 C691I237-L687 HydrophobicContact CD1-CD1 4.19Å; I237-L687 HydrophobicContact CD1-CD2 4.09Å; I237-L687 HydrophobicContact CD1-CG 4.25Å; I237-L687 HydrophobicContact CG2-CD2 4.3Å; T240-L687 HydrophobicContact CG2-CD1 4.11Å; L242-L687 HydrophobicContact CD1-CB 4.25Å; L242-L687 HydrophobicContact CD2-CD1 4.11Å; F250-L687 HydrophobicContact CD1-CD1 4.36Å; F250-L687 HydrophobicContact CE1-CD1 3.76Å; F250-L687 HydrophobicContact CE2-CD1 4.33Å; F250-L687 HydrophobicContact CZ-CD1 3.74Å; I263-L687 HydrophobicContact CD1-CD2 4.01Å; I679-L687 HydrophobicContact CD1-CB 3.54Å; I679-L687 HydrophobicContact CD1-CD2 3.8Å; I679-L687 HydrophobicContact CD1-CG 4.16Å; Q683-L687 PolarHBondContact O-N 2.82Å; Q683-L687 VanDerWaalsContact O-N 3.15Å; I684-L687 PolarHBondContact O-N 3.32Å; D685-L687 VanDerWaalsContact C-N 3.34Å; D685-L687 PolarHBondContact O-N 3.33Å; L687-K689 VanDerWaalsContact C-N 3.29Å; L687-K689 PolarHBondContact O-N 3.31Å; L687-R690 PolarHBondContact O-N 3Å; L687-R690 VanDerWaalsContact O-N 3.15Å; L687-C691 PolarHBondContact O-N 2.65Å; L687-C691 PolarHBondContact O-SG 3.35Å
688I91.9Very high89.8Confident0 Ų040.3 Ų40.30%019%0.191CC..Hα-helixtrans-66.8-34.3179-66.6160.3000110.6I263 I684 D685 R690 C691 G692 L698 W711 I714 F721I263-I688 HydrophobicContact CD1-CG1 4.36Å; I684-I688 HydrophobicContact CG2-CD1 3.46Å; I684-I688 VanDerWaalsContact CG2-CD1 3.46Å; I684-I688 HydrophobicContact CG2-CG1 4.34Å; I684-I688 WeakPolarHBondContact O-CD1 3.37Å; I684-I688 WeakPolarHBondContact O-CG1 3.44Å; I684-I688 PolarHBondContact O-N 3.42Å; D685-I688 PolarHBondContact O-N 2.99Å; I688-R690 VanDerWaalsContact C-N 3.29Å; I688-R690 PolarHBondContact O-N 3.43Å; I688-C691 PolarHBondContact O-N 2.94Å; I688-G692 CarbonylContact O-C 3.51Å; I688-G692 WeakPolarHBondContact O-CA 3.13Å; I688-G692 PolarHBondContact O-N 3.39Å; I688-L698 HydrophobicContact CD1-CD2 3.43Å; I688-L698 VanDerWaalsContact CD1-CD2 3.43Å; I688-L698 HydrophobicContact CG1-CD2 4.18Å; I688-W711 HydrophobicContact CD1-CH2 4.04Å; I688-W711 HydrophobicContact CD1-CZ3 3.64Å; I688-I714 HydrophobicContact CB-CD1 4.25Å; I688-I714 HydrophobicContact CG2-CD1 4.16Å; I688-I714 HydrophobicContact CG2-CG1 4.41Å; I688-I714 HydrophobicContact CG2-CG2 3.86Å; I688-F721 HydrophobicContact CG2-CZ 4.41Å
689K89.9Confident90.2Very high148 Ų14840.3 Ų40.364%0.64319%0.191SC*.Hα-helixtrans-62.9-32.5173.1-173.6177.6179.8179.60113D685 Q686 L687D685-K689 WeakPolarHBondContact O-CB 3.37Å; D685-K689 PolarHBondContact O-N 3.44Å; Q686-K689 PolarHBondContact O-N 3.17Å; L687-K689 VanDerWaalsContact C-N 3.29Å; L687-K689 PolarHBondContact O-N 3.31Å
690R91.5Very high90.4Very high101 Ų10140.2 Ų40.238%0.38119%0.191SC..Hα-helixtrans-75.1-41.3169.9-76.5-165.471.2-173.7-8.8112.7F250 D252 Q686 L687 I688 G692F250-R690 HydrophobicContact CE1-CB 4.12Å; F250-R690 PolarHBondContact O-NH1 3.24Å; F250-R690 PolarHBondContact O-NH2 2.93Å; D252-R690 HydrophobicContact CB-CB 4.31Å; D252-R690 IonicContact OD1-CZ 3.62Å; D252-R690 IonicContact OD1-NE 2.63Å; D252-R690 IonicContact OD1-NH2 3.88Å; D252-R690 PolarHBondContact OD1-NH2 3.45Å; D252-R690 WeakPolarHBondContact OD2-CB 3.41Å; D252-R690 IonicContact OD2-CZ 3.81Å; D252-R690 IonicContact OD2-NE 2.75Å; D252-R690 PolarHBondContact OD2-NE 3.33Å; D252-R690 IonicContact OD2-NH2 2.67Å; D252-R690 PolarHBondContact OD2-NH2 2.91Å; Q686-R690 PolarHBondContact O-N 3.37Å; Q686-R690 VanDerWaalsContact O-N 3.11Å; L687-R690 PolarHBondContact O-N 3Å; L687-R690 VanDerWaalsContact O-N 3.15Å; I688-R690 VanDerWaalsContact C-N 3.29Å; I688-R690 PolarHBondContact O-N 3.43Å; R690-G692 VanDerWaalsContact C-N 3.34Å; R690-G692 PolarHBondContact O-N 3.31Å
691C93.5Very high90.7Very high6 Ų640.1 Ų40.14%0.04119%0.19CC..Hα-helixtrans-73.6-21.6179.9-59.20000114.4F255 L261 L687 I688F255-C691 HydrophobicContact CB-CB 4.21Å; F255-C691 WeakPolarHBondContact CB-O 3.31Å; F255-C691 HydrophobicContact CD1-CB 3.89Å; F255-C691 HydrophobicContact CG-CB 4.26Å; L261-C691 HydrophobicContact CD2-CB 3.78Å; L687-C691 PolarHBondContact O-N 2.65Å; L687-C691 PolarHBondContact O-SG 3.35Å; I688-C691 PolarHBondContact O-N 2.94Å
692G88.9Confident91Very high32 Ų3241.9 Ų41.933%0.3320%0.197SC..  trans82.4165.5-169.600000114I688 R690 P694I688-G692 CarbonylContact O-C 3.51Å; I688-G692 WeakPolarHBondContact O-CA 3.13Å; I688-G692 PolarHBondContact O-N 3.39Å; R690-G692 VanDerWaalsContact C-N 3.34Å; R690-G692 PolarHBondContact O-N 3.31Å; G692-P694 WeakPolarHBondContact O-CD 3.47Å
693E88.6Confident91.2Very high80 Ų8036.7 Ų36.737%0.37417%0.173SC..  trans-72.5117.5173.8172.6175150.600110.2T715 F721 K724E693-T715 WeakPolarHBondContact OE2-CB 3.32Å; E693-T715 PolarHBondContact OE2-OG1 3.05Å; E693-F721 HydrophobicContact CB-CE2 4.42Å; E693-F721 HydrophobicContact CG-CD2 3.73Å; E693-F721 HydrophobicContact CG-CE2 3.9Å; E693-K724 IonicContact OE1-NZ 3.88Å; E693-K724 PolarHBondContact OE1-NZ 3.46Å
694P92.3Very high91.3Very high3 Ų334.8 Ų34.82%0.01916%0.164CC..  trans-67.6145.6178.727.5-34.4000111.6T258 L261 G692 L696 A697 L698 K724T258-P694 CarbonylContact O-C 3.47Å; T258-P694 VanDerWaalsContact O-CA 3.29Å; T258-P694 WeakPolarHBondContact O-CA 3.33Å; L261-P694 HydrophobicContact CB-CB 3.95Å; L261-P694 HydrophobicContact CB-CG 4.03Å; G692-P694 WeakPolarHBondContact O-CD 3.47Å; P694-L696 PolarHBondContact O-N 3.45Å; P694-A697 WeakPolarHBondContact CB-O 3.42Å; P694-A697 VanDerWaalsContact CG-O 3.31Å; P694-A697 WeakPolarHBondContact CG-O 3.17Å; P694-L698 HydrophobicContact CG-CB 3.87Å; P694-K724 WeakPolarHBondContact O-CD 3.49Å; P694-K724 PolarHBondContact O-NZ 3.5Å
695R88.9Confident91.3Very high95 Ų9538.9 Ų38.936%0.35818%0.18SC..SBendtrans-68.1-38.8-171.1-169.2177.762.499.5-1.4113.6T258 D259 K724T258-R695 PolarHBondContact O-N 3.27Å; D259-R695 IonicContact OD1-CZ 3.27Å; D259-R695 IonicContact OD1-NE 2.65Å; D259-R695 PolarHBondContact OD1-NE 3.5Å; D259-R695 IonicContact OD1-NH2 2.71Å; D259-R695 PolarHBondContact OD1-NH2 3.34Å; R695-K724 WeakPolarHBondContact O-CE 3.17Å; R695-K724 PolarHBondContact O-NZ 3.05Å
696L90.6Very high91.2Very high44 Ų4441.7 Ų41.723%0.2320%0.195CC..SBendtrans-112.2-47.7-174.4-53.8178.4000112.8D259 V260 P694 L738 P739D259-L696 HydrophobicContact CB-CD1 4.03Å; D259-L696 HydrophobicContact CB-CG 4.21Å; D259-L696 WeakPolarHBondContact O-CA 3.37Å; D259-L696 VanDerWaalsContact O-CB 3.28Å; D259-L696 WeakPolarHBondContact O-CB 3.33Å; D259-L696 PolarHBondContact O-N 3.27Å; V260-L696 HydrophobicContact CG2-CB 4.45Å; P694-L696 PolarHBondContact O-N 3.45Å; L696-L738 HydrophobicContact CD1-CD2 3.87Å; L696-P739 HydrophobicContact CD1-CG 4.47Å
697A94.4Very high90.9Very high0 Ų039.5 Ų39.50%018%0.184CC..EExtended strand (participates in β ladder)trans-152.2144.8-172.700000114.4D259 V260 L261 P694 K724 I736D259-A697 PolarHBondContact O-N 2.95Å; D259-A697 VanDerWaalsContact O-N 3.13Å; V260-A697 WeakPolarHBondContact CA-O 3.19Å; V260-A697 HydrophobicContact CG1-CB 4.24Å; V260-A697 HydrophobicContact CG2-CB 4.28Å; L261-A697 PolarHBondContact N-O 2.88Å; P694-A697 WeakPolarHBondContact CB-O 3.42Å; P694-A697 VanDerWaalsContact CG-O 3.31Å; P694-A697 WeakPolarHBondContact CG-O 3.17Å; A697-K724 CarbonylContact C-O 3.55Å; A697-K724 VanDerWaalsContact CA-O 3.32Å; A697-K724 WeakPolarHBondContact CA-O 3.41Å; A697-I736 HydrophobicContact CB-CD1 3.46Å; A697-I736 VanDerWaalsContact CB-CD1 3.46Å; A697-I736 HydrophobicContact CB-CG1 4.17Å
698L95.6Very high90.3Very high0 Ų045.8 Ų45.80%023%0.225CC..EExtended strand (participates in β ladder)trans-114.4118.1161.7173.158.6000108.3L261 I263 I688 P694 L700 W711 F721 K724 L725 H726L261-L698 HydrophobicContact CB-CD1 4.06Å; L261-L698 HydrophobicContact CD2-CD1 3.99Å; L261-L698 HydrophobicContact CG-CD1 3.9Å; L261-L698 WeakPolarHBondContact O-CA 3.43Å; I263-L698 HydrophobicContact CD1-CD1 4.35Å; I263-L698 HydrophobicContact CG1-CD1 4.4Å; I688-L698 HydrophobicContact CD1-CD2 3.43Å; I688-L698 VanDerWaalsContact CD1-CD2 3.43Å; I688-L698 HydrophobicContact CG1-CD2 4.18Å; P694-L698 HydrophobicContact CG-CB 3.87Å; L698-L700 HydrophobicContact CD1-CD2 3.96Å; L698-L700 HydrophobicContact CD2-CD2 4.4Å; L698-L700 HydrophobicContact CG-CD2 4.09Å; L698-L700 HydrophobicContact CG-CG 4.31Å; L698-W711 HydrophobicContact CD2-CH2 4.44Å; L698-W711 HydrophobicContact CD2-CZ3 4.49Å; L698-F721 HydrophobicContact CD2-CE1 4.23Å; L698-F721 HydrophobicContact CD2-CZ 3.71Å; L698-K724 PolarHBondContact N-O 3.29Å; L698-L725 HydrophobicContact CB-CD1 4.1Å; L698-L725 HydrophobicContact CD2-CD1 3.59Å; L698-L725 HydrophobicContact CG-CD1 3.81Å; L698-H726 PolarHBondContact O-N 3.41Å
699I96.8Very high89.6Confident3 Ų348.1 Ų48.12%0.01524%0.235CC..EExtended strand (participates in β ladder)trans-104.7126.3178.1-49.2173.6000109.5L2 V260 L261 I262 I263 H726 I728 L734 I736L2-I699 HydrophobicContact CD2-CD1 3.69Å; L2-I699 HydrophobicContact CD2-CG2 4.01Å; V260-I699 HydrophobicContact CG1-CD1 3.95Å; V260-I699 HydrophobicContact CG1-CG1 4.35Å; L261-I699 PolarHBondContact O-N 3.22Å; I262-I699 HydrophobicContact CD1-CD1 4.46Å; I262-I699 HydrophobicContact CG1-CD1 4.11Å; I262-I699 HydrophobicContact CG2-CB 4.39Å; I263-I699 PolarHBondContact N-O 3.28Å; I699-H726 WeakPolarHBondContact CA-O 3.44Å; I699-I728 HydrophobicContact CG2-CB 4.08Å; I699-I728 HydrophobicContact CG2-CG2 3.77Å; I699-L734 HydrophobicContact CD1-CD2 3.84Å; I699-L734 HydrophobicContact CG1-CD2 3.97Å; I699-L734 HydrophobicContact CG2-CD2 4.33Å; I699-I736 HydrophobicContact CD1-CD1 3.74Å; I699-I736 HydrophobicContact CG1-CD1 4.2Å
700L95.3Very high88.9Confident0 Ų046.5 Ų46.50%023%0.234CC..EExtended strand (participates in β ladder)trans-121.1155175.1-54.7-178.2000110.1I263 L698 V704 W711 L725 H726 G727 I728I263-L700 HydrophobicContact CB-CD2 3.91Å; I263-L700 HydrophobicContact CD1-CD2 3.76Å; I263-L700 HydrophobicContact CG1-CD2 4.06Å; L698-L700 HydrophobicContact CD1-CD2 3.96Å; L698-L700 HydrophobicContact CD2-CD2 4.4Å; L698-L700 HydrophobicContact CG-CD2 4.09Å; L698-L700 HydrophobicContact CG-CG 4.31Å; L700-V704 HydrophobicContact CB-CB 4.47Å; L700-V704 HydrophobicContact CB-CG1 4.45Å; L700-V704 HydrophobicContact CD1-CG1 4.27Å; L700-W711 HydrophobicContact CD1-CH2 4.34Å; L700-L725 HydrophobicContact CD1-CD1 3.93Å; L700-L725 HydrophobicContact CG-CD1 4.24Å; L700-H726 PolarHBondContact N-O 3.19Å; L700-G727 CarbonylContact O-C 3.51Å; L700-G727 WeakPolarHBondContact O-CA 3.41Å; L700-I728 PolarHBondContact O-N 3.28Å
701P93.3Very high88.3Confident0 Ų042.8 Ų42.80%022%0.22CC..EExtended strand (participates in β ladder)trans-60.7144.6167.5-16.631.9000109.8V9 I263 E703 V704 Y705V9-P701 HydrophobicContact CG2-CB 3.63Å; V9-P701 HydrophobicContact CG2-CG 3.81Å; I263-P701 VanDerWaalsContact O-CD 3.31Å; I263-P701 WeakPolarHBondContact O-CD 3.38Å; P701-E703 VanDerWaalsContact C-N 3.25Å; P701-E703 WeakPolarHBondContact CB-OE2 3.32Å; P701-E703 PolarHBondContact O-N 2.93Å; P701-V704 HydrophobicContact CB-CG2 4.08Å; P701-V704 HydrophobicContact CG-CG2 4Å; P701-V704 WeakPolarHBondContact O-CA 3.41Å; P701-V704 WeakPolarHBondContact O-CB 3.28Å; P701-V704 PolarHBondContact O-N 2.84Å; P701-Y705 PolarHBondContact O-N 3.21Å
702Q90.9Very high87.3Confident44 Ų4446 Ų4621%0.20624%0.242CC..Hα-helixtrans-53.6-42.4-176.5-172.764.644.600113.1V704 Y705 D706 I728 S729Q702-V704 PolarHBondContact O-N 2.85Å; Q702-Y705 PolarHBondContact O-N 2.88Å; Q702-D706 PolarHBondContact NE2-OD1 2.74Å; Q702-D706 PolarHBondContact NE2-OD2 2.74Å; Q702-D706 PolarHBondContact O-N 3.19Å; Q702-I728 PolarHBondContact N-O 3.25Å; Q702-I728 VanDerWaalsContact N-O 3.07Å; Q702-S729 WeakPolarHBondContact CG-OG 3.24Å; Q702-S729 PolarHBondContact OE1-OG 3.35Å
703E87.3Confident86.5Confident19 Ų1947.3 Ų47.39%0.08925%0.246CC..Hα-helixtrans-59.5-28.7179.2-53.888.7157.500112.8R4 M268 P701R4-E703 IonicContact CZ-OE1 3.42Å; R4-E703 VanDerWaalsContact CZ-OE1 3.28Å; R4-E703 IonicContact CZ-OE2 3.55Å; R4-E703 VanDerWaalsContact NH1-CD 3.27Å; R4-E703 IonicContact NH1-OE1 2.96Å; R4-E703 PolarHBondContact NH1-OE1 3.21Å; R4-E703 IonicContact NH1-OE2 2.7Å; R4-E703 PolarHBondContact NH1-OE2 3.38Å; R4-E703 IonicContact NH2-OE1 3.49Å; R4-E703 PolarHBondContact NH2-OE1 2.95Å; R4-E703 IonicContact NH2-OE2 3.96Å; M268-E703 HydrophobicContact CE-CB 3.96Å; M268-E703 WeakPolarHBondContact CE-O 3.29Å; P701-E703 VanDerWaalsContact C-N 3.25Å; P701-E703 WeakPolarHBondContact CB-OE2 3.32Å; P701-E703 PolarHBondContact O-N 2.93Å
704V88.5Confident85.7Confident0 Ų045.1 Ų45.10%024%0.236CC..Hα-helixtrans-86.4-48.8176.2-179.20000109.6V9 V266 M268 I684 L700 P701 Q702 D706 K707 F709V9-V704 HydrophobicContact CG2-CG2 4.26Å; V266-V704 HydrophobicContact CB-CG2 3.8Å; V266-V704 HydrophobicContact CG1-CG2 4.38Å; V266-V704 HydrophobicContact CG2-CG1 4.17Å; V266-V704 HydrophobicContact CG2-CG2 3.85Å; M268-V704 HydrophobicContact SD-CG2 3.94Å; I684-V704 HydrophobicContact CD1-CG1 3.18Å; L700-V704 HydrophobicContact CB-CB 4.47Å; L700-V704 HydrophobicContact CB-CG1 4.45Å; L700-V704 HydrophobicContact CD1-CG1 4.27Å; P701-V704 HydrophobicContact CB-CG2 4.08Å; P701-V704 HydrophobicContact CG-CG2 4Å; P701-V704 WeakPolarHBondContact O-CA 3.41Å; P701-V704 WeakPolarHBondContact O-CB 3.28Å; P701-V704 PolarHBondContact O-N 2.84Å; Q702-V704 PolarHBondContact O-N 2.85Å; V704-D706 PolarHBondContact O-N 2.75Å; V704-K707 WeakPolarHBondContact O-CB 3.38Å; V704-K707 PolarHBondContact O-N 2.64Å; V704-F709 HydrophobicContact CG1-CE2 4.42Å; V704-F709 HydrophobicContact CG1-CZ 4.14Å; V704-F709 WeakPolarHBondContact O-CE2 3.47Å
705Y88.9Confident84.9Confident88 Ų8845.6 Ų45.635%0.34524%0.239SC..Hα-helixtrans-54.4-35.9178.9174.8-84.5000113P701 Q702 K707 L725P701-Y705 PolarHBondContact O-N 3.21Å; Q702-Y705 PolarHBondContact O-N 2.88Å; Y705-K707 PolarHBondContact O-N 3.31Å; Y705-L725 HydrophobicContact CD2-CD2 3.97Å; Y705-L725 HydrophobicContact CD2-CG 3.87Å; Y705-L725 HydrophobicContact CE2-CB 4.37Å; Y705-L725 HydrophobicContact CE2-CD2 3.76Å; Y705-L725 HydrophobicContact CE2-CG 3.71Å
706D86.3Confident84.1Confident109 Ų10947.6 Ų47.658%0.58326%0.262SS*.THydrogen-bonded Turntrans-75.6-4.2179.4-70-31.1000114.2Q702 V704Q702-D706 PolarHBondContact NE2-OD1 2.74Å; Q702-D706 PolarHBondContact NE2-OD2 2.74Å; Q702-D706 PolarHBondContact O-N 3.19Å; V704-D706 PolarHBondContact O-N 2.75Å
707K83.3Confident83.6Confident58 Ų5851 Ų5125%0.25228%0.275SS..SBendtrans-81.6144.6172.4-76.4179.1167.4173.20111.2M268 A681 V704 Y705 F709M268-K707 HydrophobicContact CE-CD 4.06Å; M268-K707 VanDerWaalsContact CE-CE 3.44Å; M268-K707 VanDerWaalsContact CE-NZ 3.31Å; M268-K707 HydrophobicContact SD-CD 4.41Å; M268-K707 PolarHBondContact SD-NZ 3.1Å; A681-K707 HydrophobicContact CB-CD 3.73Å; V704-K707 WeakPolarHBondContact O-CB 3.38Å; V704-K707 PolarHBondContact O-N 2.64Å; Y705-K707 PolarHBondContact O-N 3.31Å; K707-F709 HydrophobicContact CB-CE1 4.28Å; K707-F709 HydrophobicContact CB-CE2 4Å; K707-F709 HydrophobicContact CB-CZ 3.71Å; K707-F709 VanDerWaalsContact O-CD2 3.25Å; K707-F709 WeakPolarHBondContact O-CD2 3.25Å; K707-F709 WeakPolarHBondContact O-CE2 3.32Å; K707-F709 PolarHBondContact O-N 3.29Å
708P78.8Confident82.7Confident131 Ų13153.3 Ų53.385%0.85129%0.29SS*.  trans-74.2124.7177.130-33.6000111.2
709F77.4Confident81.8Confident49 Ų4961.2 Ų61.222%0.21533%0.327CS..  trans-124.6145.9174.6-57.1-67.1000111A681 I684 V704 K707 W711A681-F709 VanDerWaalsContact O-CE1 3.24Å; A681-F709 WeakPolarHBondContact O-CE1 3.43Å; I684-F709 HydrophobicContact CD1-CE1 4.32Å; I684-F709 HydrophobicContact CD1-CZ 3.92Å; V704-F709 HydrophobicContact CG1-CE2 4.42Å; V704-F709 HydrophobicContact CG1-CZ 4.14Å; V704-F709 WeakPolarHBondContact O-CE2 3.47Å; K707-F709 HydrophobicContact CB-CE1 4.28Å; K707-F709 HydrophobicContact CB-CE2 4Å; K707-F709 HydrophobicContact CB-CZ 3.71Å; K707-F709 VanDerWaalsContact O-CD2 3.25Å; K707-F709 WeakPolarHBondContact O-CD2 3.25Å; K707-F709 WeakPolarHBondContact O-CE2 3.32Å; K707-F709 PolarHBondContact O-N 3.29Å; F709-W711 HydrophobicContact CB-CD2 4.28Å; F709-W711 HydrophobicContact CB-CH2 4.36Å; F709-W711 HydrophobicContact CB-CZ2 3.83Å; F709-W711 HydrophobicContact CD2-CH2 4.09Å; F709-W711 AromaticContact CD2-CZ2 3.53Å; F709-W711 HydrophobicContact CD2-CZ2 3.53Å; F709-W711 HydrophobicContact CE2-CZ2 4.42Å; F709-W711 HydrophobicContact CG-CH2 4.35Å; F709-W711 AromaticContact CG-CZ2 3.97Å; F709-W711 HydrophobicContact CG-CZ2 3.97Å; F709-W711 PolarHBondContact O-N 2.75Å
710D75.8Confident80.7Confident115 Ų11566.6 Ų66.662%0.61535%0.352SS*.  trans-92.793.6170.3-167.1-19.1000110.2S712 S713D710-S712 PolarHBondContact O-N 3.47Å; D710-S712 WeakPolarHBondContact OD1-CB 3.44Å; D710-S712 PolarHBondContact OD1-N 3.32Å; D710-S712 PolarHBondContact OD1-OG 2.91Å; D710-S713 PolarHBondContact O-OG 3.15Å
711W79.9Confident80.1Confident23 Ų2366.6 Ų66.69%0.08735%0.352CS..G310 helixtrans-69.3-5.6-179.8-60.2110.6000114.2I684 I688 L698 L700 F709 S713 I714 T715 P718 F721 L725I684-W711 HydrophobicContact CG2-CH2 4.4Å; I688-W711 HydrophobicContact CD1-CH2 4.04Å; I688-W711 HydrophobicContact CD1-CZ3 3.64Å; L698-W711 HydrophobicContact CD2-CH2 4.44Å; L698-W711 HydrophobicContact CD2-CZ3 4.49Å; L700-W711 HydrophobicContact CD1-CH2 4.34Å; F709-W711 HydrophobicContact CB-CD2 4.28Å; F709-W711 HydrophobicContact CB-CH2 4.36Å; F709-W711 HydrophobicContact CB-CZ2 3.83Å; F709-W711 HydrophobicContact CD2-CH2 4.09Å; F709-W711 AromaticContact CD2-CZ2 3.53Å; F709-W711 HydrophobicContact CD2-CZ2 3.53Å; F709-W711 HydrophobicContact CE2-CZ2 4.42Å; F709-W711 HydrophobicContact CG-CH2 4.35Å; F709-W711 AromaticContact CG-CZ2 3.97Å; F709-W711 HydrophobicContact CG-CZ2 3.97Å; F709-W711 PolarHBondContact O-N 2.75Å; W711-S713 VanDerWaalsContact C-N 3.25Å; W711-S713 PolarHBondContact O-N 3.24Å; W711-I714 HydrophobicContact CE3-CD1 3.48Å; W711-I714 VanDerWaalsContact CE3-CD1 3.48Å; W711-I714 HydrophobicContact CZ3-CD1 3.73Å; W711-I714 PolarHBondContact O-N 2.97Å; W711-T715 PolarHBondContact O-N 2.82Å; W711-P718 HydrophobicContact CB-CB 4.39Å; W711-F721 HydrophobicContact CB-CD1 4.43Å; W711-F721 HydrophobicContact CD2-CD1 4.16Å; W711-F721 AromaticContact CD2-CE1 3.76Å; W711-F721 HydrophobicContact CD2-CE1 3.76Å; W711-F721 HydrophobicContact CE3-CD1 4.15Å; W711-F721 AromaticContact CE3-CE1 3.4Å; W711-F721 HydrophobicContact CE3-CE1 3.4Å; W711-F721 HydrophobicContact CE3-CZ 4.06Å; W711-F721 HydrophobicContact CG-CD1 4.28Å; W711-F721 HydrophobicContact CG-CE1 4.36Å; W711-F721 HydrophobicContact CH2-CE1 4.42Å; W711-F721 AromaticContact CZ3-CE1 3.79Å; W711-F721 HydrophobicContact CZ3-CE1 3.79Å; W711-F721 HydrophobicContact CZ3-CZ 4.19Å; W711-L725 HydrophobicContact CH2-CD1 4.24Å; W711-L725 HydrophobicContact CZ2-CD1 4.09Å; W711-L725 HydrophobicContact CZ2-CD2 3.69Å
712S72.7Confident79.5Confident74 Ų7470.7 Ų70.752%0.51737%0.374SS..G310 helixtrans-69.6-19.2-177.369.70000114.1D710 I714D710-S712 PolarHBondContact O-N 3.47Å; D710-S712 WeakPolarHBondContact OD1-CB 3.44Å; D710-S712 PolarHBondContact OD1-N 3.32Å; D710-S712 PolarHBondContact OD1-OG 2.91Å; S712-I714 VanDerWaalsContact C-N 3.33Å
713S71.3Confident79Confident58 Ų5873.9 Ų73.941%0.40640%0.396SS..G310 helixtrans-74-21.1175.965.50000114D710 W711D710-S713 PolarHBondContact O-OG 3.15Å; W711-S713 VanDerWaalsContact C-N 3.25Å; W711-S713 PolarHBondContact O-N 3.24Å
714I72.6Confident79.1Confident34 Ų3474.7 Ų74.717%0.17440%0.4CS..THydrogen-bonded Turntrans-99.2-43.3-174.6-68.2150.6000111.6D685 I688 W711 S712 F721D685-I714 HydrophobicContact CB-CD1 3.92Å; D685-I714 HydrophobicContact CB-CG1 4.45Å; I688-I714 HydrophobicContact CB-CD1 4.25Å; I688-I714 HydrophobicContact CG2-CD1 4.16Å; I688-I714 HydrophobicContact CG2-CG1 4.41Å; I688-I714 HydrophobicContact CG2-CG2 3.86Å; W711-I714 HydrophobicContact CE3-CD1 3.48Å; W711-I714 VanDerWaalsContact CE3-CD1 3.48Å; W711-I714 HydrophobicContact CZ3-CD1 3.73Å; W711-I714 PolarHBondContact O-N 2.97Å; S712-I714 VanDerWaalsContact C-N 3.33Å; I714-F721 HydrophobicContact CG2-CE2 4.35Å
715T74.9Confident79.2Confident13 Ų1375.3 Ų75.38%0.0840%0.403CS..  trans-135.9138.3-168.4-172.90000112.8E693 W711 K717 F721E693-T715 WeakPolarHBondContact OE2-CB 3.32Å; E693-T715 PolarHBondContact OE2-OG1 3.05Å; W711-T715 PolarHBondContact O-N 2.82Å; T715-K717 PolarHBondContact O-N 2.68Å; T715-K717 VanDerWaalsContact O-N 3.15Å; T715-F721 HydrophobicContact CG2-CB 3.43Å; T715-F721 VanDerWaalsContact CG2-CB 3.43Å; T715-F721 HydrophobicContact CG2-CD1 4.47Å; T715-F721 HydrophobicContact CG2-CD2 4.07Å; T715-F721 HydrophobicContact CG2-CG 3.77Å
716T72.5Confident79.5Confident137 Ų13773.6 Ų73.684%0.8440%0.398SS*.SBendtrans-70.8-5.6178.157.90000113.4
717K78.8Confident79.8Confident115 Ų11568.8 Ų68.850%0.537%0.374SS..  trans-138.769.4-178.1-60.2-177.9-169.1166.90111.2T715 E719 Q720 F721T715-K717 PolarHBondContact O-N 2.68Å; T715-K717 VanDerWaalsContact O-N 3.15Å; K717-E719 PolarHBondContact O-N 2.8Å; K717-E719 VanDerWaalsContact O-N 3.14Å; K717-Q720 HydrophobicContact CB-CB 4.07Å; K717-Q720 HydrophobicContact CB-CG 4.18Å; K717-Q720 HydrophobicContact CD-CG 4.43Å; K717-Q720 PolarHBondContact O-N 3.28Å; K717-F721 PolarHBondContact O-N 2.94Å; K717-F721 VanDerWaalsContact O-N 3.09Å
718P76.5Confident80.3Confident50 Ų5066.1 Ų66.133%0.32536%0.362SS..Hα-helixtrans-55.2-35-176.220.7-32.8000113.4W711 Q720 F721 L722W711-P718 HydrophobicContact CB-CB 4.39Å; P718-Q720 VanDerWaalsContact C-N 3.3Å; P718-Q720 PolarHBondContact O-N 3.46Å; P718-F721 PolarHBondContact O-N 2.97Å; P718-L722 WeakPolarHBondContact O-CB 3.3Å; P718-L722 VanDerWaalsContact O-CG 3.25Å; P718-L722 WeakPolarHBondContact O-CG 3.44Å; P718-L722 PolarHBondContact O-N 3.18Å
719E75.3Confident80.9Confident166 Ų16661.8 Ų61.878%0.77634%0.335SS*.Hα-helixtrans-60.9-34.3174.2-63.6-175.1170.900113.7K717K717-E719 PolarHBondContact O-N 2.8Å; K717-E719 VanDerWaalsContact O-N 3.14Å
720Q75.4Confident81.4Confident116 Ų11662.2 Ų62.254%0.54234%0.336SS..Hα-helixtrans-80.9-32.9177.1-62.5-166.3-2500111.6K717 P718 T723K717-Q720 HydrophobicContact CB-CB 4.07Å; K717-Q720 HydrophobicContact CB-CG 4.18Å; K717-Q720 HydrophobicContact CD-CG 4.43Å; K717-Q720 PolarHBondContact O-N 3.28Å; P718-Q720 VanDerWaalsContact C-N 3.3Å; P718-Q720 PolarHBondContact O-N 3.46Å; Q720-T723 PolarHBondContact O-OG1 3.13Å
721F81Confident81.8Confident0 Ų060.9 Ų60.90%033%0.326CS..Hα-helixtrans-67.4-40.2173.9-176.3-92.9000112.2I688 E693 L698 W711 I714 T715 K717 P718 T723 K724 L725I688-F721 HydrophobicContact CG2-CZ 4.41Å; E693-F721 HydrophobicContact CB-CE2 4.42Å; E693-F721 HydrophobicContact CG-CD2 3.73Å; E693-F721 HydrophobicContact CG-CE2 3.9Å; L698-F721 HydrophobicContact CD2-CE1 4.23Å; L698-F721 HydrophobicContact CD2-CZ 3.71Å; W711-F721 HydrophobicContact CB-CD1 4.43Å; W711-F721 HydrophobicContact CD2-CD1 4.16Å; W711-F721 AromaticContact CD2-CE1 3.76Å; W711-F721 HydrophobicContact CD2-CE1 3.76Å; W711-F721 HydrophobicContact CE3-CD1 4.15Å; W711-F721 AromaticContact CE3-CE1 3.4Å; W711-F721 HydrophobicContact CE3-CE1 3.4Å; W711-F721 HydrophobicContact CE3-CZ 4.06Å; W711-F721 HydrophobicContact CG-CD1 4.28Å; W711-F721 HydrophobicContact CG-CE1 4.36Å; W711-F721 HydrophobicContact CH2-CE1 4.42Å; W711-F721 AromaticContact CZ3-CE1 3.79Å; W711-F721 HydrophobicContact CZ3-CE1 3.79Å; W711-F721 HydrophobicContact CZ3-CZ 4.19Å; I714-F721 HydrophobicContact CG2-CE2 4.35Å; T715-F721 HydrophobicContact CG2-CB 3.43Å; T715-F721 VanDerWaalsContact CG2-CB 3.43Å; T715-F721 HydrophobicContact CG2-CD1 4.47Å; T715-F721 HydrophobicContact CG2-CD2 4.07Å; T715-F721 HydrophobicContact CG2-CG 3.77Å; K717-F721 PolarHBondContact O-N 2.94Å; K717-F721 VanDerWaalsContact O-N 3.09Å; P718-F721 PolarHBondContact O-N 2.97Å; F721-T723 PolarHBondContact O-N 3.44Å; F721-T723 VanDerWaalsContact O-N 3.15Å; F721-K724 WeakPolarHBondContact O-CA 3.19Å; F721-K724 WeakPolarHBondContact O-CB 3.36Å; F721-K724 PolarHBondContact O-N 3.46Å; F721-L725 HydrophobicContact CE1-CD1 4.45Å; F721-L725 PolarHBondContact O-N 3.01Å
722L80.7Confident82.2Confident86 Ų8663 Ų6345%0.4534%0.336SS..Hα-helixtrans-59.5-25.3178.4-77.6166.4000113.5P718 K724 L725P718-L722 WeakPolarHBondContact O-CB 3.3Å; P718-L722 VanDerWaalsContact O-CG 3.25Å; P718-L722 WeakPolarHBondContact O-CG 3.44Å; P718-L722 PolarHBondContact O-N 3.18Å; L722-K724 VanDerWaalsContact C-N 3.29Å; L722-K724 PolarHBondContact O-N 2.85Å; L722-L725 HydrophobicContact CD2-CD2 4.23Å; L722-L725 PolarHBondContact O-N 3.22Å
723T80.5Confident83Confident110 Ų11064.7 Ų64.768%0.67534%0.336SS*.THydrogen-bonded Turntrans-77.4-13.6174.766.70000113.8Q720 F721Q720-T723 PolarHBondContact O-OG1 3.13Å; F721-T723 PolarHBondContact O-N 3.44Å; F721-T723 VanDerWaalsContact O-N 3.15Å
724K89.2Confident84.1Confident37 Ų3763.4 Ų63.416%0.16133%0.325CS..THydrogen-bonded Turntrans-92.1-14.1172.3-56.4178.5172.3-179.40113.3E693 P694 R695 A697 L698 F721 L722E693-K724 IonicContact OE1-NZ 3.88Å; E693-K724 PolarHBondContact OE1-NZ 3.46Å; P694-K724 WeakPolarHBondContact O-CD 3.49Å; P694-K724 PolarHBondContact O-NZ 3.5Å; R695-K724 WeakPolarHBondContact O-CE 3.17Å; R695-K724 PolarHBondContact O-NZ 3.05Å; A697-K724 CarbonylContact C-O 3.55Å; A697-K724 VanDerWaalsContact CA-O 3.32Å; A697-K724 WeakPolarHBondContact CA-O 3.41Å; L698-K724 PolarHBondContact N-O 3.29Å; F721-K724 WeakPolarHBondContact O-CA 3.19Å; F721-K724 WeakPolarHBondContact O-CB 3.36Å; F721-K724 PolarHBondContact O-N 3.46Å; L722-K724 VanDerWaalsContact C-N 3.29Å; L722-K724 PolarHBondContact O-N 2.85Å
725L92.6Very high85Confident12 Ų1265.8 Ų65.86%0.06334%0.344CS..EExtended strand (participates in β ladder)trans-83.1128.6-173.4-169.171.3000110.3L698 L700 Y705 W711 F721 L722L698-L725 HydrophobicContact CB-CD1 4.1Å; L698-L725 HydrophobicContact CD2-CD1 3.59Å; L698-L725 HydrophobicContact CG-CD1 3.81Å; L700-L725 HydrophobicContact CD1-CD1 3.93Å; L700-L725 HydrophobicContact CG-CD1 4.24Å; Y705-L725 HydrophobicContact CD2-CD2 3.97Å; Y705-L725 HydrophobicContact CD2-CG 3.87Å; Y705-L725 HydrophobicContact CE2-CB 4.37Å; Y705-L725 HydrophobicContact CE2-CD2 3.76Å; Y705-L725 HydrophobicContact CE2-CG 3.71Å; W711-L725 HydrophobicContact CH2-CD1 4.24Å; W711-L725 HydrophobicContact CZ2-CD1 4.09Å; W711-L725 HydrophobicContact CZ2-CD2 3.69Å; F721-L725 HydrophobicContact CE1-CD1 4.45Å; F721-L725 PolarHBondContact O-N 3.01Å; L722-L725 HydrophobicContact CD2-CD2 4.23Å; L722-L725 PolarHBondContact O-N 3.22Å
726H94.1Very high85.6Confident53 Ų5367.1 Ų67.125%0.24535%0.35CS..EExtended strand (participates in β ladder)trans-133.7123.2-177.5-59.9-38.2000111.8L698 I699 L700 L734L698-H726 PolarHBondContact O-N 3.41Å; I699-H726 WeakPolarHBondContact CA-O 3.44Å; L700-H726 PolarHBondContact N-O 3.19Å; H726-L734 HydrophobicContact CB-CD2 3.73Å
727G93.1Very high86Confident8 Ų869.3 Ų69.38%0.08235%0.351CS..EExtended strand (participates in β ladder)trans-77.7138.3163.600000111.1L700 Q732L700-G727 CarbonylContact O-C 3.51Å; L700-G727 WeakPolarHBondContact O-CA 3.41Å; G727-Q732 PolarHBondContact O-NE2 3.49Å
728I94.5Very high85.7Confident1 Ų166.3 Ų66.31%0.00534%0.34CS..EExtended strand (participates in β ladder)trans-118.2109.1168.9-165.5170.2000111.2L2 R4 Y14 I699 L700 Q702 Q732 L734L2-I728 HydrophobicContact CB-CD1 4.39Å; L2-I728 HydrophobicContact CD2-CD1 3.84Å; L2-I728 HydrophobicContact CG-CD1 3.92Å; R4-I728 HydrophobicContact CB-CD1 4.15Å; R4-I728 HydrophobicContact CB-CG1 4.12Å; R4-I728 PolarHBondContact NH1-O 2.93Å; Y14-I728 HydrophobicContact CE1-CG2 3.91Å; I699-I728 HydrophobicContact CG2-CB 4.08Å; I699-I728 HydrophobicContact CG2-CG2 3.77Å; L700-I728 PolarHBondContact O-N 3.28Å; Q702-I728 PolarHBondContact N-O 3.25Å; Q702-I728 VanDerWaalsContact N-O 3.07Å; I728-Q732 HydrophobicContact CG1-CB 4.22Å; I728-L734 HydrophobicContact CD1-CB 4.47Å
729S91.1Very high85.1Confident40 Ų4066.4 Ų66.428%0.2834%0.34SS..  trans-72.8160.4172.2-60.20000111.1Q702 Q732Q702-S729 WeakPolarHBondContact CG-OG 3.24Å; Q702-S729 PolarHBondContact OE1-OG 3.35Å; S729-Q732 VanDerWaalsContact CB-OE1 3.3Å; S729-Q732 VanDerWaalsContact O-CB 3.28Å; S729-Q732 WeakPolarHBondContact O-CB 3.47Å; S729-Q732 PolarHBondContact O-N 2.95Å; S729-Q732 PolarHBondContact OG-OE1 2.9Å
730Y87.1Confident84Confident58 Ų5867.6 Ų67.623%0.22735%0.346CS..THydrogen-bonded Turntrans-50.5142.7163.7168.1-105.2000111.4T7 K83 E86 Q732T7-Y730 HydrophobicContact CG2-CD1 3.81Å; T7-Y730 HydrophobicContact CG2-CD2 3.48Å; T7-Y730 VanDerWaalsContact CG2-CD2 3.48Å; T7-Y730 HydrophobicContact CG2-CE1 3.89Å; T7-Y730 HydrophobicContact CG2-CE2 3.53Å; T7-Y730 HydrophobicContact CG2-CG 3.61Å; K83-Y730 WeakPolarHBondContact CD-OH 3.43Å; E86-Y730 HydrophobicContact CG-CE2 3.75Å; E86-Y730 WeakPolarHBondContact CG-OH 3.49Å; E86-Y730 WeakPolarHBondContact OE1-CE2 3.39Å; Y730-Q732 PolarHBondContact O-N 3.29Å
731H85Confident82.7Confident88 Ų8868 Ų6841%0.40736%0.357SS..THydrogen-bonded Turntrans62.5-10.3-175.7-129.368.8000116.3R3 R4 E86R3-H731 PolarHBondContact NH2-CE1 3.25Å; R3-H731 VanDerWaalsContact NH2-CE1 3.3Å; R4-H731 PolarHBondContact O-N 3.44Å; E86-H731 IonicContact OE1-CE1 3.39Å; E86-H731 IonicContact OE1-CG 2.68Å; E86-H731 IonicContact OE1-ND1 2.58Å; E86-H731 PolarHBondContact OE1-ND1 2.69Å; E86-H731 IonicContact OE2-CE1 2.7Å; E86-H731 PolarHBondContact OE2-CE1 2.94Å; E86-H731 IonicContact OE2-ND1 3.61Å; E86-H731 PolarHBondContact OE2-ND1 3.11Å
732Q87.5Confident80.9Confident66 Ų6672.5 Ų72.531%0.30837%0.373SS..  trans-73.1134.8-177.4-174.2-176.7-14.900111R3 G727 I728 S729 Y730R3-Q732 WeakPolarHBondContact CA-O 3.43Å; G727-Q732 PolarHBondContact O-NE2 3.49Å; I728-Q732 HydrophobicContact CG1-CB 4.22Å; S729-Q732 VanDerWaalsContact CB-OE1 3.3Å; S729-Q732 VanDerWaalsContact O-CB 3.28Å; S729-Q732 WeakPolarHBondContact O-CB 3.47Å; S729-Q732 PolarHBondContact O-N 2.95Å; S729-Q732 PolarHBondContact OG-OE1 2.9Å; Y730-Q732 PolarHBondContact O-N 3.29Å
733Q90.2Very high79.2Confident111 Ų11176.6 Ų76.652%0.51940%0.395SS..EExtended strand (participates in β ladder)trans-104.8122171.4-173.6179.4-57.400110.2M1 L2 R3M1-Q733 HydrophobicContact CG-CG 3.53Å; M1-Q733 HydrophobicContact SD-CG 3.68Å; L2-Q733 CarbonylContact O-C 3.57Å; L2-Q733 WeakPolarHBondContact O-CA 3.45Å; R3-Q733 HydrophobicContact CB-CB 4.48Å
734L92.9Very high77.1Confident30 Ų3077.4 Ų77.416%0.15739%0.391CS..EExtended strand (participates in β ladder)trans-105.2126.9176.4-171.866.6000110.8M1 L2 I699 H726 I728 I736M1-L734 CarbonylContact C-O 3.57Å; M1-L734 VanDerWaalsContact CA-O 3.28Å; M1-L734 WeakPolarHBondContact CA-O 3.38Å; L2-L734 PolarHBondContact N-O 3.25Å; L2-L734 PolarHBondContact O-N 3.14Å; I699-L734 HydrophobicContact CD1-CD2 3.84Å; I699-L734 HydrophobicContact CG1-CD2 3.97Å; I699-L734 HydrophobicContact CG2-CD2 4.33Å; H726-L734 HydrophobicContact CB-CD2 3.73Å; I728-L734 HydrophobicContact CD1-CB 4.47Å; L734-I736 HydrophobicContact CD2-CD1 4.28Å; L734-I736 HydrophobicContact CD2-CG1 4.37Å; L734-I736 HydrophobicContact CG-CG1 4.41Å
735C92.3Very high74.6Confident85 Ų8584 Ų8457%0.57442%0.422SS*.  trans-117.187.4178.3-71.50000110.6
736I88.4Confident71.8Confident40 Ų4089.7 Ų89.721%0.20545%0.452CS..PPolyproline II helixtrans-70.6128.3167.3-64.5155.7000108.4V260 A697 I699 L734 L738V260-I736 HydrophobicContact CG1-CD1 3.94Å; V260-I736 HydrophobicContact CG2-CD1 4.18Å; V260-I736 HydrophobicContact CG2-CG2 4.49Å; A697-I736 HydrophobicContact CB-CD1 3.46Å; A697-I736 VanDerWaalsContact CB-CD1 3.46Å; A697-I736 HydrophobicContact CB-CG1 4.17Å; I699-I736 HydrophobicContact CD1-CD1 3.74Å; I699-I736 HydrophobicContact CG1-CD1 4.2Å; L734-I736 HydrophobicContact CD2-CD1 4.28Å; L734-I736 HydrophobicContact CD2-CG1 4.37Å; L734-I736 HydrophobicContact CG-CG1 4.41Å; I736-L738 PolarHBondContact O-N 3.17Å
737Q80.7Confident69Low184 Ų18495.6 Ų95.686%0.8648%0.479SS*.PPolyproline II helixtrans-78.2118.7167.3-75.1-170-25.800109.4
738L71.4Confident66.4Low52 Ų5298.7 Ų98.727%0.27249%0.493SS..PPolyproline II helixtrans-85.5136173.2-61.4157.9000107.2E232 V260 L696 I736 E740E232-L738 HydrophobicContact CG-CB 4.11Å; E232-L738 HydrophobicContact CG-CD1 3.99Å; E232-L738 HydrophobicContact CG-CD2 3.94Å; E232-L738 HydrophobicContact CG-CG 4.2Å; V260-L738 HydrophobicContact CG2-CD2 4.26Å; L696-L738 HydrophobicContact CD1-CD2 3.87Å; I736-L738 PolarHBondContact O-N 3.17Å; L738-E740 PolarHBondContact O-N 2.86Å; L738-E740 VanDerWaalsContact O-N 3.14Å
739P64.2Low63.6Low52 Ų52101.8 Ų101.834%0.33852%0.515SS..  trans-69.5113.5-175.227-33.4000110.5L696 T741L696-P739 HydrophobicContact CD1-CG 4.47Å; P739-T741 PolarHBondContact O-N 2.98Å
740E52.6Low61.4Low190 Ų190104.8 Ų104.889%0.88853%0.532SS*.SBendtrans-55-12.7-173.6-59-179.5154.800115.5L738L738-E740 PolarHBondContact O-N 2.86Å; L738-E740 VanDerWaalsContact O-N 3.14Å
741T46.9Very low59.1Low126 Ų126110 Ų11077%0.77356%0.555SS**  trans-136.285.1-176.345.50000112P739P739-T741 PolarHBondContact O-N 2.98Å
742R44.1Very low56.9Low93 Ų93110.1 Ų110.135%0.35156%0.559SS.*  trans-80.9131.5150.3-121.3-176.5-175132.6-6.7107.4T231 D259 E744T231-R742 HydrophobicContact CG2-CB 3.72Å; T231-R742 WeakPolarHBondContact O-CD 3.49Å; T231-R742 PolarHBondContact O-NH1 2.83Å; D259-R742 VanDerWaalsContact CG-NH1 3.26Å; D259-R742 IonicContact OD1-CZ 2.98Å; D259-R742 IonicContact OD1-NH1 3Å; D259-R742 PolarHBondContact OD1-NH1 3.21Å; D259-R742 IonicContact OD1-NH2 3.91Å; D259-R742 PolarHBondContact OD1-NH2 2.69Å; D259-R742 IonicContact OD2-CZ 2.71Å; D259-R742 IonicContact OD2-NH1 3.1Å; D259-R742 PolarHBondContact OD2-NH1 3.29Å; D259-R742 IonicContact OD2-NH2 3.6Å; R742-E744 PolarHBondContact O-N 3.49Å
743L44.4Very low54.7Low173 Ų173109.5 Ų109.591%0.90656%0.557SS**  trans-76.8111.3171.3-72.2166.4000108.4
744E36.3Very low52.2Low126 Ų126111.6 Ų111.659%0.58957%0.567SS**  trans-65.7141172.9-71-174.5-17500111.3R742 I746R742-E744 PolarHBondContact O-N 3.49Å; E744-I746 VanDerWaalsContact C-N 3.32Å; E744-I746 PolarHBondContact O-N 2.9Å
745Q36.5Very low49.6Very low175 Ų175114.1 Ų114.182%0.81858%0.577SS**  trans-76.883.1172.3-78-169.6-13.400110.7H747Q745-H747 PolarHBondContact O-N 3.28Å
746I35.1Very low47Very low132 Ų132112.5 Ų112.568%0.67756%0.563SS**  trans-63.4109.7171.2-56.2177.1000108.9E744 L748E744-I746 VanDerWaalsContact C-N 3.32Å; E744-I746 PolarHBondContact O-N 2.9Å; I746-L748 VanDerWaalsContact C-N 3.28Å; I746-L748 HydrophobicContact CG2-CD2 3.77Å; I746-L748 HydrophobicContact CG2-CG 4.27Å; I746-L748 PolarHBondContact O-N 3.43Å
747H34.7Very low44.4Very low177 Ų177118.4 Ų118.482%0.81959%0.587SS**  trans-70.683171.5-88.880.5000110.7Q745 S749Q745-H747 PolarHBondContact O-N 3.28Å; H747-S749 PolarHBondContact O-N 2.72Å
748L39.3Very low42.3Very low74 Ų74113 Ų11339%0.38757%0.568SS.*  trans-65.2127169.2-59.5177.5000109.1I746 L752 I753 I756I746-L748 VanDerWaalsContact C-N 3.28Å; I746-L748 HydrophobicContact CG2-CD2 3.77Å; I746-L748 HydrophobicContact CG2-CG 4.27Å; I746-L748 PolarHBondContact O-N 3.43Å; L748-L752 HydrophobicContact CD2-CD2 3.93Å; L748-I753 HydrophobicContact CB-CD1 4.22Å; L748-I753 HydrophobicContact CB-CG1 3.96Å; L748-I756 HydrophobicContact CD1-CD1 4.31Å
749S35.5Very low40.6Very low66 Ų66115.9 Ų115.946%0.46258%0.582SS.*  trans-59.6146.7176.8760000111H747 K751 L752 I753H747-S749 PolarHBondContact O-N 2.72Å; S749-K751 PolarHBondContact O-N 2.95Å; S749-K751 VanDerWaalsContact O-N 3.11Å; S749-L752 WeakPolarHBondContact O-CA 3.33Å; S749-L752 WeakPolarHBondContact O-CB 3.28Å; S749-L752 PolarHBondContact O-N 3.25Å; S749-L752 PolarHBondContact OG-N 3.11Å; S749-I753 PolarHBondContact O-N 2.9Å; S749-I753 VanDerWaalsContact O-N 3.11Å
750T43.4Very low39Very low103 Ų103123 Ų12363%0.63260%0.603SS**Hα-helixtrans-57.4-28.8178.6520000112.6I753 H754T750-I753 PolarHBondContact O-N 3.01Å; T750-H754 PolarHBondContact O-N 3.39Å; T750-H754 PolarHBondContact O-ND1 2.84Å
751K38.9Very low38Very low166 Ų166119.5 Ų119.572%0.72259%0.59SS**Hα-helixtrans-64.1-39.2170.9-67.5-175.5178.7-179.40112.6S749 H755S749-K751 PolarHBondContact O-N 2.95Å; S749-K751 VanDerWaalsContact O-N 3.11Å; K751-H755 PolarHBondContact O-CE1 2.67Å; K751-H755 PolarHBondContact O-ND1 2.8Å
752L38.9Very low37.1Very low92 Ų92122.8 Ų122.848%0.48259%0.593SS.*Hα-helixtrans-67.3-46.6175.7-137.983.1000110.6L748 S749 H754 H755 I756L748-L752 HydrophobicContact CD2-CD2 3.93Å; S749-L752 WeakPolarHBondContact O-CA 3.33Å; S749-L752 WeakPolarHBondContact O-CB 3.28Å; S749-L752 PolarHBondContact O-N 3.25Å; S749-L752 PolarHBondContact OG-N 3.11Å; L752-H754 VanDerWaalsContact C-N 3.28Å; L752-H754 PolarHBondContact O-N 3.02Å; L752-H755 PolarHBondContact O-N 3Å; L752-H755 VanDerWaalsContact O-N 3.12Å; L752-I756 WeakPolarHBondContact O-CG1 3.35Å
753I42.9Very low36.4Very low52 Ų52123.3 Ų123.327%0.26760%0.603SS.*Hα-helixtrans-57.3-38.4-176.1-66.2173.1000112.2L748 S749 T750 H755 I756L748-I753 HydrophobicContact CB-CD1 4.22Å; L748-I753 HydrophobicContact CB-CG1 3.96Å; S749-I753 PolarHBondContact O-N 2.9Å; S749-I753 VanDerWaalsContact O-N 3.11Å; T750-I753 PolarHBondContact O-N 3.01Å; I753-H755 PolarHBondContact O-N 2.86Å; I753-I756 PolarHBondContact O-N 3.49Å
754H37.1Very low35.7Very low156 Ų156125 Ų12572%0.72260%0.603SS**THydrogen-bonded Turntrans-64.4-21.8-179.7-82.681.1000114.9T750 L752T750-H754 PolarHBondContact O-N 3.39Å; T750-H754 PolarHBondContact O-ND1 2.84Å; L752-H754 VanDerWaalsContact C-N 3.28Å; L752-H754 PolarHBondContact O-N 3.02Å
755H37.2Very low35.5Very low82 Ų82126 Ų12638%0.3861%0.608SS.*THydrogen-bonded Turntrans-101.6-7.5-177.2-55.986.6000112.9K751 L752 I753 K757 V1007 V1008K751-H755 PolarHBondContact O-CE1 2.67Å; K751-H755 PolarHBondContact O-ND1 2.8Å; L752-H755 PolarHBondContact O-N 3Å; L752-H755 VanDerWaalsContact O-N 3.12Å; I753-H755 PolarHBondContact O-N 2.86Å; H755-K757 PolarHBondContact O-N 3.35Å; H755-V1007 HydrophobicContact CB-CG1 4.24Å; H755-V1007 WeakPolarHBondContact CB-O 3.35Å; H755-V1008 PolarHBondContact CD2-OXT 3.42Å
756I38.8Very low35Very low52 Ų52123.2 Ų123.227%0.26761%0.607SS.*  trans-80.4100.9179.3-61.6167.5000110.5L748 L752 I753 L822 V1007L748-I756 HydrophobicContact CD1-CD1 4.31Å; L752-I756 WeakPolarHBondContact O-CG1 3.35Å; I753-I756 PolarHBondContact O-N 3.49Å; I756-L822 HydrophobicContact CG2-CD1 3.77Å; I756-V1007 HydrophobicContact CG1-CG1 3.93Å
757K34.2Very low34.8Very low163 Ų163123.4 Ų123.471%0.70961%0.61SS**  trans-70.8140.2166.6-75.9170.3-178.9154.40110.8H755 I759H755-K757 PolarHBondContact O-N 3.35Å; K757-I759 PolarHBondContact O-N 3.18Å
758P36.3Very low34.6Very low71 Ų71124.2 Ų124.246%0.46161%0.614SS.*  trans-66.7125.8179.826.3-34.1000111.8Y760P758-Y760 HydrophobicContact CB-CE2 4.26Å; P758-Y760 HydrophobicContact CG-CE2 4.08Å; P758-Y760 WeakPolarHBondContact O-CD2 3.4Å; P758-Y760 PolarHBondContact O-N 2.96Å
759I35.2Very low34Very low112 Ų112124 Ų12457%0.57463%0.629SS**  trans-81.1110.8-178.1-58.7161.9000109.6K757 I761 L1002K757-I759 PolarHBondContact O-N 3.18Å; I759-I761 HydrophobicContact CG2-CG1 4.22Å; I759-L1002 HydrophobicContact CD1-CD1 4.46Å; I759-L1002 HydrophobicContact CD1-CD2 3.71Å; I759-L1002 HydrophobicContact CG1-CD2 4.26Å
760Y30.8Very low33.8Very low201 Ų201129.1 Ų129.179%0.78865%0.65SS**  trans-93.596.2175-77.3-86.6000111.7P758 K762P758-Y760 HydrophobicContact CB-CE2 4.26Å; P758-Y760 HydrophobicContact CG-CE2 4.08Å; P758-Y760 WeakPolarHBondContact O-CD2 3.4Å; P758-Y760 PolarHBondContact O-N 2.96Å; Y760-K762 PolarHBondContact O-N 2.69Å
761I31.3Very low33.1Very low118 Ų118133 Ų13361%0.60566%0.66SS**  trans-72.9108171.9-54178.8000109.2I759 L763I759-I761 HydrophobicContact CG2-CG1 4.22Å; I761-L763 HydrophobicContact CG2-CD1 4.14Å
762K27.3Very low32.8Very low194 Ų194130.4 Ų130.484%0.84366%0.661SS**  trans-9099.5167.8-78.1-175175-179.80109.8Y760 K764Y760-K762 PolarHBondContact O-N 2.69Å; K762-K764 PolarHBondContact O-N 3.01Å
763L30.5Very low32.4Very low105 Ų105134.1 Ų134.155%0.5568%0.681SS.*  trans-57.3130158.6-93.973.2000108.6I761 Q765I761-L763 HydrophobicContact CG2-CD1 4.14Å; L763-Q765 PolarHBondContact O-N 3.28Å
764K29.1Very low31.8Very low209 Ų209139.1 Ų139.191%0.90971%0.708SS**  trans-68.8111.1165.3-74.6179.8177.9175.10107.9K762 S766K762-K764 PolarHBondContact O-N 3.01Å; K764-S766 PolarHBondContact O-N 3.48Å
765Q31.9Very low31.6Very low147 Ų147136.6 Ų136.669%0.68771%0.706SS**  trans-69.6119.2163.5-66.9-171.2-9800108.2L763 N767L763-Q765 PolarHBondContact O-N 3.28Å; Q765-N767 PolarHBondContact O-N 2.97Å
766S27.3Very low31.2Very low116 Ų116140.3 Ų140.381%0.81173%0.728SS**  trans-74.576.1172.254.20000109.9K764 E768K764-S766 PolarHBondContact O-N 3.48Å; S766-E768 PolarHBondContact O-N 2.96Å
767N29.8Very low30.9Very low136 Ų136146.2 Ų146.273%0.72775%0.752SS**  trans-78.599.9164.4-74.515.7000107.9Q765Q765-N767 PolarHBondContact O-N 2.97Å
768E30.6Very low30.6Very low194 Ų194145.4 Ų145.491%0.90775%0.75SS**  trans-62.3146.5153.3-65.9-168.2133.600108.8S766S766-E768 PolarHBondContact O-N 2.96Å
769G28Very low30.2Very low69 Ų69149.1 Ų149.171%0.71176%0.759SS**  trans-84.5161.7-154.500000115.7
770I29.6Very low29.9Very low174 Ų174149.8 Ų149.889%0.89276%0.764SS**  trans-152.6134131.8-95.9146.3000106.2
771E29.9Very low29.8Very low183 Ų183146.1 Ų146.186%0.85576%0.758SS**  trans-83158176.8-90.6-168.6152.900112.2
772P31.7Very low29.7Very low112 Ų112148.5 Ų148.573%0.72776%0.764SS**  trans-87.7166.9-161.835.6-37.9000114.4
773N30.9Very low29.8Very low170 Ų170145.1 Ų145.191%0.90975%0.751SS**  trans-148.6159.7153.7-101.6-68.5000110.8
774D31.2Very low29.7Very low157 Ų157145.6 Ų145.684%0.8475%0.754SS**  trans-78160.6-157-94.9-47000117.2
775P32.4Very low29.8Very low103 Ų103142 Ų14267%0.66975%0.745SS**  trans-94.7160.2-175.437.9-35.6000114.2
776L29Very low29.8Very low160 Ų160140.4 Ų140.484%0.83874%0.741SS**  trans177.1152.5131.2-98.8163.4000114.5
777K32.5Very low29.9Very low177 Ų177140.5 Ų140.577%0.7773%0.733SS**  trans72.4100.2158.1-71176179.8177.90121.8
778E26.6Very low30Very low146 Ų146141.4 Ų141.468%0.68273%0.73SS**  55.3125.3113.6-67.1-145.6118.500123.7
779K28.8Very low30Very low148 Ų148137.7 Ų137.764%0.64371%0.712SS**  95.4125126.2-82.7173.4179.2137.90122.9
780N28.4Very low30Very low126 Ų126142.1 Ų142.167%0.67471%0.712SS**  trans98.9112.3131.8-70-2.4000122.7
781N28.9Very low30Very low124 Ų124139.7 Ų139.766%0.66370%0.701SS**  82.7121.4123.8-66.6-12.2000123.5
782K29Very low29.9Very low169 Ų169137.3 Ų137.374%0.73569%0.694SS**  72.7155.8128.4-69-175.9157.9-143.90118.2
783E29.7Very low29.7Very low122 Ų122138.1 Ų138.157%0.5769%0.688SS**  cis-162.5167.70.7-126.8172-149.600112.7
784N29.7Very low29.5Very low115 Ų115138 Ų13862%0.61568%0.68SS**  trans63.3117.7147.7-60-20.6000120.5
785N29.5Very low29.2Very low134 Ų134139 Ų13972%0.71768%0.676SS**  93.2157.686.3-79.432.8000113.6
786D31.6Very low29Very low114 Ų114140.4 Ų140.461%0.6168%0.677SS**  cis-163.5159.27.8-129-38.1000113.9
787N31Very low28.9Very low118 Ų118138.9 Ų138.963%0.63167%0.67SS**  trans61.6157.5150.2-68.8-52.8000121.5
788K31.9Very low28.6Very low154 Ų154136.4 Ų136.467%0.6766%0.664SS**  cis-163.8145.8-4.8-120.8163.7179.6-99.50115.4
789E29.4Very low28.5Very low116 Ų116138.8 Ų138.854%0.54267%0.672SS.*  trans51.8121.3139.8-73.1179.7114.400127
790K28.3Very low28.3Very low162 Ų162136.5 Ų136.570%0.70468%0.675SS**  69.8153.2119.6-66.5175.3-175.41630121.2
791N29.5Very low28.1Very low124 Ų124138.1 Ų138.166%0.66368%0.683SS**  cis-161.1154.38.5-1161.5000112.2
792N28.5Very low27.8Very low132 Ų132141.5 Ų141.571%0.70670%0.695SS**  trans36.4152.7142-617.4000123.5
793E26.8Very low27.6Very low130 Ų130140.1 Ų140.161%0.60769%0.693SS**  cis-169.1146-9.5-112.6-161.4155.500112.2
794K26.1Very low27.5Very low167 Ų167142.1 Ų142.173%0.72671%0.707SS**  trans63.6156.8155.1-63.1161.7-175.1149.80117.4
795K26.8Very low27.1Very low177 Ų177144.6 Ų144.677%0.7772%0.715SS**  cis-159.1147.515.6-149.2-169.7175.5-178.80110.9
796I27Very low26.9Very low133 Ų133145.3 Ų145.368%0.68272%0.717SS**  trans28.9128.7142.4-72.4168.3000117.8
797D27.2Very low26.7Very low128 Ų128146.6 Ų146.668%0.68472%0.724SS**  cis-174.9178.215.1-117.225.2000109.3
798L25.9Very low26.3Very low126 Ų126148.8 Ų148.866%0.6674%0.736SS**  cis-168156.9-10.3-174.564.8000109.5
799K24.8Very low26Very low195 Ų195148.6 Ų148.685%0.84874%0.742SS**  trans66.9142171.1-80.9161.4-173.6176.20116
800S24.3Very low25.8Very low100 Ų100151 Ų15170%0.69976%0.759SS**  cis-151.4165.313.465.40000113.9
801L24.2Very low25.7Very low161 Ų161152.3 Ų152.384%0.84377%0.767SS**  trans57.872.6154-71164.5000119.1
802Q23.7Very low25.6Very low194 Ų194152.8 Ų152.891%0.90778%0.775SS**  trans172114.1131.3-98.81739.900110.5
803M24.2Very low25.6Very low140 Ų140153.6 Ų153.669%0.6978%0.778SS**  trans-179.5134.6143.8-110.1-58.8174.800112.4Q805M803-Q805 PolarHBondContact SD-N 2.81Å
804N26.3Very low25.7Very low164 Ų164153.8 Ų153.888%0.87778%0.778SS**  -173.378.7112.5-96-6000110.1
805Q22.4Very low25.8Very low168 Ų168154.6 Ų154.679%0.78578%0.782SS**  trans-101.1123.1143.2-79.5-173.2-1400106.8M803M803-Q805 PolarHBondContact SD-N 2.81Å
806I24.5Very low25.8Very low148 Ų148154 Ų15476%0.75978%0.779SS**  trans-174.5107.9148-96.5148.5000107.2
807N27.2Very low26.1Very low141 Ų141156.4 Ų156.475%0.75478%0.78SS**  trans173.682.7133.4-91.3-14.8000108.6
808N23Very low26.1Very low164 Ų164160.4 Ų160.488%0.87779%0.791SS**  trans-76.6120.5152.7-75.7-11000106.7
809N26.8Very low26.5Very low151 Ų151157.4 Ų157.481%0.80778%0.78SS**  trans-148.6138.1154.8-95.3-24.9000107.6
810D24.2Very low26.9Very low165 Ų165155 Ų15588%0.88278%0.775SS**  trans-45.8125.6-166.2-54.5-55.2000116.2
811E26.9Very low27.4Very low190 Ų190152.8 Ų152.889%0.88876%0.763SS**  trans-142.1146.6147-142.3176.3-14200111.4I813E811-I813 PolarHBondContact O-N 2.85Å
812V27.5Very low27.8Very low135 Ų135148.2 Ų148.282%0.81874%0.739SS**  trans-75.3117.1-166.7176.70000111E814V812-E814 VanDerWaalsContact C-N 3.31Å; V812-E814 PolarHBondContact O-N 3.02Å
813I28.9Very low28.4Very low149 Ų149143.8 Ų143.876%0.76473%0.725SS**  trans-71.386174.6-55.6180000110.1E811 K815E811-I813 PolarHBondContact O-N 2.85Å; I813-K815 HydrophobicContact CG2-CG 4.44Å; I813-K815 PolarHBondContact O-N 2.98Å
814E28Very low28.9Very low134 Ų134145 Ų14563%0.62673%0.734SS**  trans-58.299.9159.1-77.6-160120.600109.2V812 K816V812-E814 VanDerWaalsContact C-N 3.31Å; V812-E814 PolarHBondContact O-N 3.02Å; E814-K816 HydrophobicContact CB-CG 4.1Å; E814-K816 PolarHBondContact O-N 3.37Å; E814-K816 WeakPolarHBondContact OE2-CE 3.36Å; E814-K816 IonicContact OE2-NZ 3.48Å; E814-K816 PolarHBondContact OE2-NZ 3.31Å
815K28.4Very low29.4Very low184 Ų184138.7 Ų138.780%0.871%0.707SS**  trans-66.882.6162.7-75.2-168.2174.5-173.70109.1I813 R817I813-K815 HydrophobicContact CG2-CG 4.44Å; I813-K815 PolarHBondContact O-N 2.98Å; K815-R817 PolarHBondContact O-N 3.31Å
816K27.5Very low29.8Very low163 Ų163136.2 Ų136.271%0.70970%0.697SS**  trans-62.493.4-179.2-75.5-177.9178.7171.20111.1E814 K818E814-K816 HydrophobicContact CB-CG 4.1Å; E814-K816 PolarHBondContact O-N 3.37Å; E814-K816 WeakPolarHBondContact OE2-CE 3.36Å; E814-K816 IonicContact OE2-NZ 3.48Å; E814-K816 PolarHBondContact OE2-NZ 3.31Å; K816-K818 PolarHBondContact O-N 2.94Å; K816-K818 VanDerWaalsContact O-N 3.15Å
817R32.8Very low30.3Very low184 Ų184135.3 Ų135.369%0.69469%0.693SS**  trans-64.2108.7176.9-59.5177.2-173.6175.4-0.5109.4K815 C819K815-R817 PolarHBondContact O-N 3.31Å; R817-C819 PolarHBondContact O-N 2.88Å
818K27.3Very low30.8Very low212 Ų212132 Ų13292%0.92269%0.685SS**  trans-69.6111.1168.7-69.6-179.2178.9-179.80108.2K816K816-K818 PolarHBondContact O-N 2.94Å; K816-K818 VanDerWaalsContact O-N 3.15Å
819C33.5Very low31.4Very low64 Ų64129.5 Ų129.543%0.43268%0.676SS.*  trans-134.5130.2173.5-54.20000108.4R817R817-C819 PolarHBondContact O-N 2.88Å
820I33.7Very low31.9Very low143 Ų143131.5 Ų131.573%0.73367%0.672SS**  trans-86139.1170.2-57.4174.3000107.6L827I820-L827 HydrophobicContact CG2-CD2 3.55Å
821A33.8Very low32.5Very low55 Ų55128 Ų12846%0.45565%0.654SS.*EExtended strand (participates in β ladder)trans-138.7135172.600000110.2
822L33.9Very low32.9Very low64 Ų64121.2 Ų121.234%0.33564%0.635SS.*EExtended strand (participates in β ladder)trans-85.2124.2164.7-93.6147.8000108.4I756I756-L822 HydrophobicContact CG2-CD1 3.77Å
823V36.6Very low33.1Very low101 Ų101123 Ų12361%0.61263%0.632SS**EExtended strand (participates in β ladder)trans-129.1118.9170.4-177.20000107.1G825 M826V823-G825 VanDerWaalsContact C-N 3.27Å; V823-G825 PolarHBondContact O-N 3.38Å; V823-M826 PolarHBondContact N-O 3.46Å; V823-M826 PolarHBondContact O-N 3.48Å
824N34.6Very low33.2Very low167 Ų167123.9 Ų123.989%0.89363%0.632SS**THydrogen-bonded Turntrans4942.1178.5-59.74.3000114.6M826N824-M826 PolarHBondContact O-N 3.02Å
825G35.3Very low33.4Very low30 Ų30127.6 Ų127.631%0.30964%0.641SS.*THydrogen-bonded Turntrans85.6-2.7171.200000116.7V823V823-G825 VanDerWaalsContact C-N 3.27Å; V823-G825 PolarHBondContact O-N 3.38Å
826M30.9Very low33.5Very low116 Ų116126.2 Ų126.257%0.57164%0.641SS**EExtended strand (participates in β ladder)trans-109.9149174.2-64.3-175.476.300112.1V823 N824 L836V823-M826 PolarHBondContact N-O 3.46Å; V823-M826 PolarHBondContact O-N 3.48Å; N824-M826 PolarHBondContact O-N 3.02Å; M826-L836 HydrophobicContact CE-CD1 4.38Å
827L36.2Very low33.5Very low129 Ų129125.6 Ų125.668%0.67564%0.644SS**EExtended strand (participates in β ladder)trans-87.2130.4169.8-82.6161.4000109.6I820I820-L827 HydrophobicContact CG2-CD2 3.55Å
828A37Very low33.3Very low71 Ų71120.4 Ų120.459%0.58765%0.648SS**EExtended strand (participates in β ladder)trans-140.3151.1179.800000112.3
829T35.5Very low33.5Very low112 Ų112118.4 Ų118.469%0.68764%0.639SS**  trans-86.3145.4176.3510000112D831T829-D831 WeakPolarHBondContact CB-OD1 3.49Å; T829-D831 PolarHBondContact O-N 3.02Å; T829-D831 VanDerWaalsContact O-N 3.17Å; T829-D831 PolarHBondContact OG1-OD1 3.19Å
830R37.3Very low33.4Very low193 Ų193123.6 Ų123.673%0.72866%0.657SS**THydrogen-bonded Turntrans-85.424.6-172.1-155-146.6156132.50.6114.7
831D37.5Very low33.1Very low91 Ų91125.7 Ų125.749%0.48766%0.664SS.*THydrogen-bonded Turntrans-86.1-20.1165.565-63.8000112.1T829 K833T829-D831 WeakPolarHBondContact CB-OD1 3.49Å; T829-D831 PolarHBondContact O-N 3.02Å; T829-D831 VanDerWaalsContact O-N 3.17Å; T829-D831 PolarHBondContact OG1-OD1 3.19Å; D831-K833 PolarHBondContact O-N 3.39Å; D831-K833 VanDerWaalsContact O-N 3.09Å
832G34.9Very low32.9Very low48 Ų48132 Ų13250%0.49568%0.681SS.*  trans69.46162.600000116.8W835G832-W835 PolarHBondContact O-NE1 3.2Å
833K32.3Very low32.6Very low173 Ų173136 Ų13675%0.75270%0.702SS**  trans-87.8-15.5-175.5-75.5-173.5174.6-173.90114.9D831D831-K833 PolarHBondContact O-N 3.39Å; D831-K833 VanDerWaalsContact O-N 3.09Å
834H30.8Very low32Very low167 Ų167139.3 Ų139.377%0.77371%0.711SS**  trans-125.2115.9-178.3-55.9102.9000110.3
835W31.7Very low32.1Very low212 Ų212136.2 Ų136.280%0.80370%0.7SS**  trans-109.1124.1173.8-64.866.7000107.7G832 I837G832-W835 PolarHBondContact O-NE1 3.2Å; W835-I837 HydrophobicContact CB-CG1 4.02Å; W835-I837 PolarHBondContact O-N 3.48Å
836L31Very low31.7Very low156 Ų156141.3 Ų141.382%0.81772%0.72SS**  trans-78.3103.2161-73.8172.7000107.3M826 G838M826-L836 HydrophobicContact CE-CD1 4.38Å; L836-G838 PolarHBondContact O-N 2.95Å; L836-G838 VanDerWaalsContact O-N 3.13Å
837I27.8Very low31.4Very low149 Ų149142.7 Ų142.776%0.76473%0.728SS**  trans-8196.5-170.7-60.6176000110W835W835-I837 HydrophobicContact CB-CG1 4.02Å; W835-I837 PolarHBondContact O-N 3.48Å
838G28.3Very low31Very low76 Ų76143.7 Ų143.778%0.78473%0.733SS**  trans-106.386.9163.300000111L836L836-G838 PolarHBondContact O-N 2.95Å; L836-G838 VanDerWaalsContact O-N 3.13Å
839K30Very low30.4Very low169 Ų169149.1 Ų149.174%0.73575%0.746SS**  trans-139.595.5172.1-79.3-168.9178.8-179.50111.7
840H33Very low30.1Very low173 Ų173149.1 Ų149.180%0.80175%0.748SS**  -178.2100.4105.1-100.1-68.1000110.7
841E25.6Very low29.6Very low188 Ų188145.9 Ų145.988%0.87975%0.749SS**  trans-92.2135.3160.2-170.2173.2-132.400108.6
842K30.8Very low29.1Very low188 Ų188150 Ų15082%0.81777%0.765SS**  trans-148.9130.8168.2-99.6-166173.2-171.70108.9
843L26.8Very low28.6Very low146 Ų146155 Ų15576%0.76478%0.78SS**  trans-67.8158.6164.8-5589.5000109
844E25Very low28.5Very low171 Ų171152.4 Ų152.480%0.79979%0.785SS**  cis-144.5-15011.9-145171.3-146.200110.3
845P37.3Very low28.3Very low102 Ų102150.3 Ų150.366%0.66278%0.783SS**  trans-111.3-167.8-134.842.9-27.1000116.4
846D25.2Very low28Very low137 Ų137149.1 Ų149.173%0.73379%0.789SS**  trans105.7113.6152.2-83.6-1000122.5
847I24.7Very low27.9Very low145 Ų145151.9 Ų151.974%0.74479%0.788SS**  trans89.9140.6136-61.5163.9000120
848I29.1Very low27.9Very low151 Ų151150.2 Ų150.277%0.77479%0.787SS**  trans7497-179-39.2-163.9000115
849Q24.9Very low28.1Very low185 Ų185155.1 Ų155.186%0.86479%0.792SS**  90.6155.371.9-88.2-157.7-15.800115.2
850P28.9Very low28Very low112 Ų112153.6 Ų153.673%0.72780%0.797SS**  trans-107.7-166.8-133.743.8-40.9000115.8
851V25.2Very low27.9Very low124 Ų124150.4 Ų150.475%0.75279%0.791SS**  trans120.9129.2179.9166.10000108.9
852E28.5Very low28.1Very low178 Ų178146.7 Ų146.783%0.83278%0.784SS**  cis-147.4168.90.2-132.8158.3-145.600111.2
853D24.4Very low27.9Very low152 Ų152144.6 Ų144.681%0.81379%0.787SS**  trans-75.8137.1-176.5-66.1-76000114.4V855D853-V855 HydrophobicContact CB-CG2 4.29Å
854S28.8Very low28.1Very low120 Ų120142.9 Ų142.984%0.83978%0.783SS**  trans-113.995.7156.456.60000110M856S854-M856 PolarHBondContact O-N 2.75Å
855V26.3Very low28.1Very low122 Ų122141.5 Ų141.574%0.73979%0.786SS**  trans-70.8101.3-173.6179.90000110.9D853 R857D853-V855 HydrophobicContact CB-CG2 4.29Å; V855-R857 PolarHBondContact O-N 2.7Å; V855-R857 VanDerWaalsContact O-N 3.16Å
856M27.1Very low27.7Very low188 Ų188143.9 Ų143.993%0.92679%0.793SS**  trans-68.9110.2160-120-160.9171.200108.9S854S854-M856 PolarHBondContact O-N 2.75Å
857R27.6Very low28Very low214 Ų214144.2 Ų144.281%0.80880%0.8SS**PPolyproline II helixtrans-64.2121.1-176.4-162.7-175.1-149.1175.17.3109.8V855 M859V855-R857 PolarHBondContact O-N 2.7Å; V855-R857 VanDerWaalsContact O-N 3.16Å; R857-M859 PolarHBondContact O-N 3.36Å
858P27.6Very low28.2Very low114 Ų114142.3 Ų142.374%0.7480%0.8SS**PPolyproline II helixtrans-67.2130.9175.327.5-33.3000109.7
859M32.6Very low28.3Very low179 Ų179141.3 Ų141.388%0.88280%0.801SS**PPolyproline II helixtrans-66.3147.6171.4-67-171.377.500110.6R857R857-M859 PolarHBondContact O-N 3.36Å
860T29.1Very low28.6Very low137 Ų137138.5 Ų138.584%0.8480%0.799SS**PPolyproline II helixtrans-59.1130.6179.814.50000111.8
861P29.8Very low28.7Very low105 Ų105137.5 Ų137.568%0.68280%0.8SS**PPolyproline II helixtrans-74.6150.6-179.431.2-35.6000111.7T863P861-T863 PolarHBondContact O-N 2.67Å
862P31.2Very low28.7Very low111 Ų111137.6 Ų137.672%0.72180%0.801SS**PPolyproline II helixtrans-68126178.427.5-34.1000111.6T864P862-T864 PolarHBondContact O-N 2.55Å
863T24.8Very low28.6Very low144 Ų144135 Ų13588%0.88380%0.797SS**  trans-7286.4176.642.60000111.7P861P861-T863 PolarHBondContact O-N 2.67Å
864T31.2Very low28.9Very low110 Ų110134.8 Ų134.868%0.67580%0.802SS**  trans-96.4112.1171.446.70000111.2P862 N866P862-T864 PolarHBondContact O-N 2.55Å; T864-N866 PolarHBondContact O-N 3.46Å; T864-N866 VanDerWaalsContact O-N 3.15Å
865T26.5Very low28.7Very low142 Ų142133 Ų13387%0.87180%0.795SS**  trans-77.994.9179.450.20000111.4
866N28.6Very low28.8Very low152 Ų152134.7 Ų134.781%0.81380%0.799SS**  trans-101.3115.5172.2-81.9-28.2000111.5T864T864-N866 PolarHBondContact O-N 3.46Å; T864-N866 VanDerWaalsContact O-N 3.15Å
867T30.5Very low28.9Very low144 Ų144130.7 Ų130.788%0.88379%0.79SS**  trans-78.1138.7165.440.90000111.3
868S30.5Very low28.9Very low104 Ų104126.6 Ų126.673%0.72778%0.783SS**  trans-63.1163.2178.550.50000112.7
869T29.6Very low28.9Very low131 Ų131126.9 Ų126.980%0.80478%0.779SS**  -158.7162.954.337.90000116
870P32.6Very low28.6Very low125 Ų125125.1 Ų125.181%0.81277%0.773SS**  trans-117.7173.4-172.843.3-32.9000115.7
871A29.5Very low28.6Very low91 Ų91123 Ų12375%0.75277%0.769SS**  trans-158.3113.3160.200000115.5
872T26.8Very low28.4Very low127 Ų127122.7 Ų122.778%0.77977%0.769SS**  trans13.8126.414050.90000121.5
873T26Very low28.2Very low123 Ų123123.4 Ų123.476%0.75577%0.767SS**  91.1121.570.8-580000115.3
874T30Very low28.2Very low148 Ų148124.5 Ų124.591%0.90876%0.762SS**  trans-178.3170.8134.719.60000112
875A25.5Very low27.9Very low83 Ų83125.1 Ų125.169%0.68677%0.771SS**  trans-140.5-169.3-174.800000112.3
876N27.5Very low27.8Very low157 Ų157127.9 Ų127.984%0.8477%0.771SS**  trans86.7149.9-174.1-47.6-37.2000113.6
877S30.5Very low27.6Very low104 Ų104129.7 Ų129.773%0.72777%0.774SS**  cis-143.8151.617.2178.40000115.6
878L26.8Very low27.5Very low128 Ų128128.5 Ų128.567%0.6777%0.772SS**  trans-31.8166.5148.4-45.895.5000116.3
879N27.2Very low27.2Very low120 Ų120131.4 Ų131.464%0.64278%0.778SS**  cis-169.6168.914.4-133.61.5000114.4
880N26.4Very low27Very low142 Ų142132.9 Ų132.976%0.75978%0.78SS**  trans66.2153.6147.5-68.1-6.1000120.6
881A28.8Very low26.8Very low91 Ų91137.2 Ų137.275%0.75279%0.786SS**  cis-157.4-176.2-8.900000111.4
882S25.4Very low26.7Very low100 Ų100137.8 Ų137.870%0.69978%0.784SS**  trans-71.7169.1175.262.30000112.8
883D27.2Very low26.6Very low125 Ų125138.9 Ų138.967%0.66879%0.785SS**  cis-164.8-179.846.3-129.8-61.2000116.7
884Q25.4Very low26.6Very low167 Ų167141.6 Ų141.678%0.7879%0.792SS**  trans-34.2142.3-177.9-67152.274.400119.7
885S25.3Very low26.5Very low123 Ų123142.5 Ų142.586%0.8679%0.79SS**  -178.4174.19749.50000114.2
886K24.1Very low26.7Very low201 Ų201141.6 Ų141.687%0.87479%0.789SS**  trans-76.2133.3-166.3-56.3157.1-179.3170.30113.1
887E24Very low26.9Very low189 Ų189140.2 Ų140.288%0.88379%0.791SS**  174.8116.1122.8-100.4-179.8-175.300112.9
888S28.2Very low26.9Very low120 Ų120143 Ų14384%0.83979%0.793SS**  trans171100.9144.535.60000111.3
889I25.2Very low27.2Very low164 Ų164143.7 Ų143.784%0.84180%0.797SS**  trans-77.2151.3154.3-71.7160.1000107.1
890L24.7Very low27.8Very low162 Ų162147.4 Ų147.485%0.84880%0.802SS**  trans69.581.9-178.5-65.1148.4000116.5
891K28.5Very low28.3Very low217 Ų217146.6 Ų146.694%0.94380%0.797SS**  -150.3131.6129.1-112.5161.6-171.9174.30111
892S26.3Very low28.9Very low102 Ų102146.3 Ų146.371%0.71378%0.782SS**  trans-96136.1-164.251.90000113.6M894S892-M894 PolarHBondContact O-N 3.19Å
893N26.1Very low29.6Very low150 Ų150145 Ų14580%0.80277%0.769SS**  trans12.890.5148.5-594.4000116.4
894M25.1Very low30.3Very low180 Ų180142.3 Ų142.389%0.88776%0.761SS**  trans-119.885.6161.2-79.7-78.4105.500107.8S892S892-M894 PolarHBondContact O-N 3.19Å
895L28.2Very low31.2Very low168 Ų168136.4 Ų136.488%0.8874%0.737SS**  trans-143.2131.2-178.5-92.9167.1000110.2
896G30.8Very low32Very low63 Ų63136 Ų13665%0.64973%0.733SS**  trans46.392.3160.500000117.7E898G896-E898 PolarHBondContact O-N 2.87Å
897S30.4Very low33Very low128 Ų128129.2 Ų129.290%0.89571%0.706SS**  trans-84.940.7169.261.40000113.2
898E30.4Very low34Very low162 Ų162129.3 Ų129.376%0.75771%0.707SS**  trans-131149179.9-65.5-172.8167.800110.5G896G896-E898 PolarHBondContact O-N 2.87Å
899N34.1Very low35Very low143 Ų143129 Ų12977%0.76571%0.705SS**  trans58.872.9176.2-57.2-27.9000116.3
900R38.7Very low36.4Very low198 Ų198123.5 Ų123.575%0.74768%0.681SS**  trans-117.4121.1159.3-68.4-174.8-178.7-176.60.3110.5
901I36.7Very low38.5Very low126 Ų126119 Ų11965%0.64665%0.652SS**  trans-84.6129.5169.6-60.3175.7000108.2V903I901-V903 HydrophobicContact CG2-CG2 4.27Å
902L41.7Very low40.9Very low85 Ų85110 Ų11045%0.44562%0.615SS.*EExtended strand (participates in β ladder)trans-114.1132.4178.4-63.8170.5000108.9L996 V999L902-L996 HydrophobicContact CD1-CD2 3.46Å; L902-L996 VanDerWaalsContact CD1-CD2 3.46Å; L902-L996 HydrophobicContact CD2-CD2 4.03Å; L902-L996 HydrophobicContact CG-CD2 4.41Å; L902-V999 HydrophobicContact CB-CG1 4.39Å
903V40.1Very low43.7Very low71 Ų71109.1 Ų109.143%0.4360%0.602SS.*EExtended strand (participates in β ladder)trans-125.3121.3-179.9-177.60000108.9I901 L1002I901-V903 HydrophobicContact CG2-CG2 4.27Å; V903-L1002 HydrophobicContact CG2-CD1 3.88Å
904S43.3Very low46.7Very low70 Ų70102.6 Ų102.649%0.4957%0.568SS.*  trans-102.4148.1169.3-164.80000109.8
905C42.6Very low49.8Very low43 Ų43100 Ų10029%0.29155%0.553SS.*  trans-97.6108.1175.5-159.30000108.4D907 S910C905-D907 PolarHBondContact O-N 3.26Å; C905-D907 PolarHBondContact SG-OD2 3.14Å; C905-S910 WeakPolarHBondContact O-CB 3.16Å; C905-S910 PolarHBondContact O-OG 3.27Å
906C41.9Very low52.7Low113 Ų11395.8 Ų95.876%0.76453%0.529SS*.  trans-79.160.9-175.6-58.50000112.5
907D46.1Very low55.5Low59 Ų5992.8 Ų92.832%0.31650%0.498SS..SBendtrans-94.3151.5163.3-63.8-64.9000109.1C905 S909 S910C905-D907 PolarHBondContact O-N 3.26Å; C905-D907 PolarHBondContact SG-OD2 3.14Å; D907-S909 PolarHBondContact O-N 3.19Å; D907-S910 VanDerWaalsContact O-CB 3.3Å; D907-S910 WeakPolarHBondContact O-CB 3.44Å; D907-S910 PolarHBondContact O-N 3.4Å; D907-S910 PolarHBondContact O-OG 2.87Å
908E45.7Very low58.3Low191 Ų19187.9 Ų87.989%0.89346%0.461SS*.G310 helixtrans-58.4-18.9-179-63.1177.3145.400113.8S910E908-S910 VanDerWaalsContact C-N 3.3Å; E908-S910 PolarHBondContact O-N 2.94Å
909S49.3Very low61.3Low114 Ų11485.4 Ų85.480%0.79745%0.445SS*.G310 helixtrans-81.41.417556.60000114.7D907D907-S909 PolarHBondContact O-N 3.19Å
910S54.6Low63.9Low49 Ų4981.3 Ų81.334%0.34342%0.421SS..G310 helixtrans-87.2-3.8-178.976.60000114.9C905 D907 E908 I912C905-S910 WeakPolarHBondContact O-CB 3.16Å; C905-S910 PolarHBondContact O-OG 3.27Å; D907-S910 VanDerWaalsContact O-CB 3.3Å; D907-S910 WeakPolarHBondContact O-CB 3.44Å; D907-S910 PolarHBondContact O-N 3.4Å; D907-S910 PolarHBondContact O-OG 2.87Å; E908-S910 VanDerWaalsContact C-N 3.3Å; E908-S910 PolarHBondContact O-N 2.94Å; S910-I912 PolarHBondContact O-N 3.34Å
911R69.1Low66.3Low66 Ų6671.9 Ų71.925%0.24939%0.385CS..SBendtrans-59.8123.9177.9-178.7-175.3175.8117.51.9110.3N913 N958 D960 D975R911-N913 PolarHBondContact O-N 3.38Å; R911-N958 VanDerWaalsContact CZ-O 3.27Å; R911-N958 PolarHBondContact NH1-O 3.1Å; R911-N958 PolarHBondContact NH2-O 3.21Å; R911-D960 IonicContact CZ-OD2 3.14Å; R911-D960 IonicContact NE-OD2 2.87Å; R911-D960 VanDerWaalsContact NH2-CG 3.27Å; R911-D960 IonicContact NH2-OD1 3.93Å; R911-D960 IonicContact NH2-OD2 2.69Å; R911-D960 PolarHBondContact NH2-OD2 2.89Å; R911-D975 IonicContact CZ-OD1 2.75Å; R911-D975 VanDerWaalsContact NH1-CG 3.33Å; R911-D975 IonicContact NH1-OD1 2.71Å; R911-D975 PolarHBondContact NH1-OD1 3.1Å; R911-D975 IonicContact NH1-OD2 3.96Å
912I78.7Confident68.8Low30 Ų3069.1 Ų69.115%0.15437%0.374CS..PPolyproline II helixtrans-61.9123.4177.4-58.5177.3000109.2S910 L917 I995 F998S910-I912 PolarHBondContact O-N 3.34Å; I912-L917 HydrophobicContact CG2-CB 3.96Å; I912-L917 HydrophobicContact CG2-CD2 4.2Å; I912-I995 HydrophobicContact CD1-CG2 4Å; I912-F998 HydrophobicContact CD1-CB 4.13Å; I912-F998 HydrophobicContact CD1-CG 4.47Å; I912-F998 HydrophobicContact CG1-CB 4.03Å; I912-F998 HydrophobicContact CG1-CG 4.33Å; I912-F998 HydrophobicContact CG2-CD1 4.05Å; I912-F998 HydrophobicContact CG2-CD2 4.21Å; I912-F998 HydrophobicContact CG2-CE1 4.19Å; I912-F998 HydrophobicContact CG2-CE2 4.36Å; I912-F998 HydrophobicContact CG2-CG 4.06Å; I912-F998 HydrophobicContact CG2-CZ 4.34Å
913N85.1Confident71Confident83 Ų8370.2 Ų70.244%0.44438%0.377SS..PPolyproline II helixtrans-69.6122.8177.1-178.2-54.7000110.1R911 H915 E916 L917R911-N913 PolarHBondContact O-N 3.38Å; N913-H915 VanDerWaalsContact C-N 3.34Å; N913-H915 PolarHBondContact O-N 3.49Å; N913-H915 WeakPolarHBondContact OD1-CB 3.29Å; N913-H915 PolarHBondContact OD1-N 3.28Å; N913-E916 HydrophobicContact CB-CB 4.06Å; N913-E916 PolarHBondContact O-N 3.31Å; N913-E916 PolarHBondContact OD1-N 2.92Å; N913-E916 VanDerWaalsContact OD1-N 3.16Å; N913-L917 PolarHBondContact O-N 2.95Å
914P88.1Confident73Confident13 Ų1372.3 Ų72.38%0.08438%0.377CS..Hα-helixtrans-63.7-37.2-174.324.6-35000112.9L917 I918 L931 D960 I962 L973P914-L917 PolarHBondContact O-N 3.44Å; P914-I918 WeakPolarHBondContact O-CB 3.49Å; P914-I918 WeakPolarHBondContact O-CD1 3.36Å; P914-I918 VanDerWaalsContact O-CG1 3.26Å; P914-I918 WeakPolarHBondContact O-CG1 3.26Å; P914-I918 PolarHBondContact O-N 2.87Å; P914-L931 HydrophobicContact CB-CD1 4.09Å; P914-L931 HydrophobicContact CB-CD2 4.3Å; P914-L931 HydrophobicContact CG-CD1 4.49Å; P914-L931 HydrophobicContact CG-CD2 4.04Å; P914-D960 HydrophobicContact CB-CB 4.32Å; P914-D960 HydrophobicContact CG-CB 4.42Å; P914-I962 HydrophobicContact CB-CD1 4.2Å; P914-I962 HydrophobicContact CB-CG1 4.4Å; P914-L973 HydrophobicContact CB-CD1 4.08Å
915H90.2Very high74.9Confident124 Ų12471.7 Ų71.757%0.57438%0.382SS*.Hα-helixtrans-70.1-35.7178.2-65.5-76.6000111.9N913 R919N913-H915 VanDerWaalsContact C-N 3.34Å; N913-H915 PolarHBondContact O-N 3.49Å; N913-H915 WeakPolarHBondContact OD1-CB 3.29Å; N913-H915 PolarHBondContact OD1-N 3.28Å; H915-R919 WeakPolarHBondContact O-CB 3.4Å; H915-R919 PolarHBondContact O-N 2.98Å
916E88.6Confident77Confident80 Ų8070.5 Ų70.537%0.37437%0.373SS..Hα-helixtrans-70.7-38.1174.2-171.7160.7-139.200112.2N913 R919 K920 F998N913-E916 HydrophobicContact CB-CB 4.06Å; N913-E916 PolarHBondContact O-N 3.31Å; N913-E916 PolarHBondContact OD1-N 2.92Å; N913-E916 VanDerWaalsContact OD1-N 3.16Å; E916-R919 PolarHBondContact O-N 2.75Å; E916-R919 IonicContact OE1-CZ 3.19Å; E916-R919 IonicContact OE1-NH2 2.81Å; E916-R919 PolarHBondContact OE1-NH2 2.93Å; E916-K920 HydrophobicContact CG-CG 4.39Å; E916-K920 WeakPolarHBondContact O-CB 3.43Å; E916-K920 WeakPolarHBondContact O-CG 3.47Å; E916-K920 PolarHBondContact O-N 3.42Å; E916-F998 HydrophobicContact CB-CE1 4.3Å; E916-F998 HydrophobicContact CB-CZ 4.48Å; E916-F998 HydrophobicContact CG-CE1 3.85Å; E916-F998 HydrophobicContact CG-CZ 4Å
917L89.6Confident79.2Confident0 Ų069.5 Ų69.50%036%0.364CS..Hα-helixtrans-62.4-47.5173.1-179.558.2000111.4I912 N913 P914 R919 K920 L921 I962 I971 L973 T994 I995 F998I912-L917 HydrophobicContact CG2-CB 3.96Å; I912-L917 HydrophobicContact CG2-CD2 4.2Å; N913-L917 PolarHBondContact O-N 2.95Å; P914-L917 PolarHBondContact O-N 3.44Å; L917-R919 VanDerWaalsContact C-N 3.32Å; L917-R919 PolarHBondContact O-N 2.85Å; L917-K920 PolarHBondContact O-N 2.76Å; L917-K920 VanDerWaalsContact O-N 3.17Å; L917-L921 HydrophobicContact CD1-CD1 4.12Å; L917-L921 HydrophobicContact CD1-CG 4.09Å; L917-L921 HydrophobicContact CG-CD1 3.94Å; L917-L921 HydrophobicContact CG-CG 4.38Å; L917-L921 WeakPolarHBondContact O-CB 3.39Å; L917-L921 VanDerWaalsContact O-CG 3.24Å; L917-L921 WeakPolarHBondContact O-CG 3.17Å; L917-L921 PolarHBondContact O-N 2.96Å; L917-I962 HydrophobicContact CB-CD1 4.49Å; L917-I962 HydrophobicContact CD2-CD1 3.86Å; L917-I962 HydrophobicContact CG-CD1 4.32Å; L917-I971 HydrophobicContact CD2-CD1 4.32Å; L917-I971 HydrophobicContact CD2-CG2 4.42Å; L917-L973 HydrophobicContact CD2-CD1 4.17Å; L917-L973 HydrophobicContact CD2-CD2 4.07Å; L917-T994 HydrophobicContact CD1-CG2 4.05Å; L917-I995 HydrophobicContact CD1-CG1 3.88Å; L917-I995 HydrophobicContact CD2-CG1 4.23Å; L917-F998 HydrophobicContact CB-CE2 4.44Å; L917-F998 HydrophobicContact CB-CZ 4.36Å; L917-F998 HydrophobicContact CD1-CD2 4.45Å; L917-F998 HydrophobicContact CD1-CE2 3.76Å; L917-F998 HydrophobicContact CD1-CZ 4.46Å
918I90.8Very high81.1Confident25 Ų2568.8 Ų68.813%0.12837%0.37CS..Hα-helixtrans-56.7-44.9175.1-72.8163.3000111.2P914 L921 T922 A929 L931 I962P914-I918 WeakPolarHBondContact O-CB 3.49Å; P914-I918 WeakPolarHBondContact O-CD1 3.36Å; P914-I918 VanDerWaalsContact O-CG1 3.26Å; P914-I918 WeakPolarHBondContact O-CG1 3.26Å; P914-I918 PolarHBondContact O-N 2.87Å; I918-L921 PolarHBondContact O-N 2.82Å; I918-T922 WeakPolarHBondContact O-CB 3.45Å; I918-T922 PolarHBondContact O-N 2.85Å; I918-T922 PolarHBondContact O-OG1 2.81Å; I918-A929 HydrophobicContact CG1-CB 4.2Å; I918-A929 HydrophobicContact CG2-CB 4.31Å; I918-A929 WeakPolarHBondContact CG2-O 3.46Å; I918-L931 HydrophobicContact CD1-CB 4.15Å; I918-I962 HydrophobicContact CD1-CD1 4.41Å; I918-I962 HydrophobicContact CD1-CG1 4.19Å; I918-I962 HydrophobicContact CD1-CG2 4.07Å; I918-I962 HydrophobicContact CG1-CD1 4.1Å; I918-I962 HydrophobicContact CG1-CG1 4.32Å; I918-I962 HydrophobicContact CG1-CG2 3.8Å
919R91.5Very high83.2Confident111 Ų11160.2 Ų60.242%0.41933%0.332SS..Hα-helixtrans-59.7-48.4175.3179.5-177.168.7102.4-16.2111.5H915 E916 L917 L921 T922 E923H915-R919 WeakPolarHBondContact O-CB 3.4Å; H915-R919 PolarHBondContact O-N 2.98Å; E916-R919 PolarHBondContact O-N 2.75Å; E916-R919 IonicContact OE1-CZ 3.19Å; E916-R919 IonicContact OE1-NH2 2.81Å; E916-R919 PolarHBondContact OE1-NH2 2.93Å; L917-R919 VanDerWaalsContact C-N 3.32Å; L917-R919 PolarHBondContact O-N 2.85Å; R919-L921 PolarHBondContact O-N 3.31Å; R919-T922 WeakPolarHBondContact O-CB 3.49Å; R919-T922 PolarHBondContact O-N 3.17Å; R919-E923 WeakPolarHBondContact CG-OE1 3.45Å; R919-E923 IonicContact CZ-OE1 2.72Å; R919-E923 IonicContact NE-OE1 3.82Å; R919-E923 IonicContact NH1-OE1 3.67Å; R919-E923 PolarHBondContact NH1-OE1 2.87Å; R919-E923 WeakPolarHBondContact O-CG 3.4Å; R919-E923 PolarHBondContact O-N 3.11Å
920K89.3Confident85.2Confident57 Ų5760.3 Ų60.325%0.24832%0.315CS..Hα-helixtrans-68.1-32.5-178.4-75.7-75.9164.3-160.10113.5E916 L917 E923 R924 T994 L997 F998E916-K920 HydrophobicContact CG-CG 4.39Å; E916-K920 WeakPolarHBondContact O-CB 3.43Å; E916-K920 WeakPolarHBondContact O-CG 3.47Å; E916-K920 PolarHBondContact O-N 3.42Å; L917-K920 PolarHBondContact O-N 2.76Å; L917-K920 VanDerWaalsContact O-N 3.17Å; K920-E923 WeakPolarHBondContact CD-OE2 3.16Å; K920-E923 WeakPolarHBondContact CE-OE2 3.04Å; K920-E923 IonicContact NZ-OE1 3.38Å; K920-E923 IonicContact NZ-OE2 3.62Å; K920-E923 PolarHBondContact NZ-OE2 3.43Å; K920-R924 PolarHBondContact O-N 2.97Å; K920-T994 HydrophobicContact CB-CG2 3.6Å; K920-L997 HydrophobicContact CD-CD1 4.43Å; K920-F998 HydrophobicContact CB-CE2 4.45Å; K920-F998 HydrophobicContact CB-CZ 4.34Å; K920-F998 HydrophobicContact CG-CZ 4.06Å
921L90.2Very high87Confident0 Ų060.5 Ų60.50%031%0.312CS..Hα-helixtrans-66.3-44.4170.7-72.9170.4000111.2L917 I918 R919 R924 G925 V926 F964 I971 I991 T994L917-L921 HydrophobicContact CD1-CD1 4.12Å; L917-L921 HydrophobicContact CD1-CG 4.09Å; L917-L921 HydrophobicContact CG-CD1 3.94Å; L917-L921 HydrophobicContact CG-CG 4.38Å; L917-L921 WeakPolarHBondContact O-CB 3.39Å; L917-L921 VanDerWaalsContact O-CG 3.24Å; L917-L921 WeakPolarHBondContact O-CG 3.17Å; L917-L921 PolarHBondContact O-N 2.96Å; I918-L921 PolarHBondContact O-N 2.82Å; R919-L921 PolarHBondContact O-N 3.31Å; L921-R924 CarbonylContact O-C 3.53Å; L921-R924 WeakPolarHBondContact O-CA 3.34Å; L921-R924 PolarHBondContact O-N 3.04Å; L921-G925 PolarHBondContact O-N 3.44Å; L921-V926 CarbonylContact C-O 3.38Å; L921-V926 HydrophobicContact CB-CB 4.19Å; L921-V926 HydrophobicContact CD2-CB 4.43Å; L921-V926 PolarHBondContact O-N 2.96Å; L921-F964 HydrophobicContact CD1-CE1 4.24Å; L921-F964 HydrophobicContact CD1-CZ 3.92Å; L921-I971 HydrophobicContact CD1-CD1 3.95Å; L921-I991 HydrophobicContact CD2-CB 4.3Å; L921-I991 HydrophobicContact CD2-CG1 3.78Å; L921-T994 HydrophobicContact CD2-CG2 3.99Å; L921-T994 HydrophobicContact CG-CG2 4.15Å
922T89.4Confident87.9Confident67 Ų6758 Ų5841%0.41131%0.305SS..Hα-helixtrans-62.1-43175.8-55.80000111.6I918 R919 R924 G925 T927I918-T922 WeakPolarHBondContact O-CB 3.45Å; I918-T922 PolarHBondContact O-N 2.85Å; I918-T922 PolarHBondContact O-OG1 2.81Å; R919-T922 WeakPolarHBondContact O-CB 3.49Å; R919-T922 PolarHBondContact O-N 3.17Å; T922-R924 PolarHBondContact O-N 3.37Å; T922-R924 VanDerWaalsContact O-N 3.15Å; T922-G925 PolarHBondContact O-N 2.78Å; T922-T927 HydrophobicContact CG2-CG2 4.38Å
923E87.6Confident88.3Confident108 Ų10860 Ų6051%0.50532%0.316SS..THydrogen-bonded Turntrans-60-19.7173.4-75172.5-158.100113.5R919 K920R919-E923 WeakPolarHBondContact CG-OE1 3.45Å; R919-E923 IonicContact CZ-OE1 2.72Å; R919-E923 IonicContact NE-OE1 3.82Å; R919-E923 IonicContact NH1-OE1 3.67Å; R919-E923 PolarHBondContact NH1-OE1 2.87Å; R919-E923 WeakPolarHBondContact O-CG 3.4Å; R919-E923 PolarHBondContact O-N 3.11Å; K920-E923 WeakPolarHBondContact CD-OE2 3.16Å; K920-E923 WeakPolarHBondContact CE-OE2 3.04Å; K920-E923 IonicContact NZ-OE1 3.38Å; K920-E923 IonicContact NZ-OE2 3.62Å; K920-E923 PolarHBondContact NZ-OE2 3.43Å
924R81.4Confident88Confident116 Ų11660.3 Ų60.344%0.43832%0.323SS..THydrogen-bonded Turntrans-107.518.1174.6-77.1-178.5167.1168.1-5.9113.9K920 L921 T922 V926 D993 T994K920-R924 PolarHBondContact O-N 2.97Å; L921-R924 CarbonylContact O-C 3.53Å; L921-R924 WeakPolarHBondContact O-CA 3.34Å; L921-R924 PolarHBondContact O-N 3.04Å; T922-R924 PolarHBondContact O-N 3.37Å; T922-R924 VanDerWaalsContact O-N 3.15Å; R924-V926 VanDerWaalsContact C-N 3.33Å; R924-V926 PolarHBondContact O-N 3.18Å; R924-D993 PolarHBondContact NH1-O 2.87Å; R924-T994 VanDerWaalsContact CD-OG1 3.28Å; R924-T994 WeakPolarHBondContact CD-OG1 3.44Å; R924-T994 PolarHBondContact NH1-OG1 3.2Å
925G84Confident87.5Confident57 Ų5763.4 Ų63.459%0.58835%0.345SS*.THydrogen-bonded Turntrans82.6-0.8173.200000115.6L921 T922 T927L921-G925 PolarHBondContact O-N 3.44Å; T922-G925 PolarHBondContact O-N 2.78Å; G925-T927 VanDerWaalsContact C-N 3.35Å; G925-T927 PolarHBondContact O-N 3.45Å; G925-T927 VanDerWaalsContact O-N 3.08Å
926V86.4Confident87.1Confident17 Ų1759.4 Ų59.410%0.10333%0.33CS..  trans-8482.9172.9-169.80000108.4L921 R924 F964 T987 A990L921-V926 CarbonylContact C-O 3.38Å; L921-V926 HydrophobicContact CB-CB 4.19Å; L921-V926 HydrophobicContact CD2-CB 4.43Å; L921-V926 PolarHBondContact O-N 2.96Å; R924-V926 VanDerWaalsContact C-N 3.33Å; R924-V926 PolarHBondContact O-N 3.18Å; V926-F964 HydrophobicContact CG1-CD1 4.01Å; V926-F964 HydrophobicContact CG1-CE1 3.62Å; V926-T987 HydrophobicContact CG1-CG2 4.16Å; V926-A990 HydrophobicContact CG2-CB 3.53Å
927T86.8Confident86.6Confident93 Ų9356.1 Ų56.157%0.57132%0.316SS*.  trans-91162-170.661.20000113.6T922 G925 A929T922-T927 HydrophobicContact CG2-CG2 4.38Å; G925-T927 VanDerWaalsContact C-N 3.35Å; G925-T927 PolarHBondContact O-N 3.45Å; G925-T927 VanDerWaalsContact O-N 3.08Å; T927-A929 VanDerWaalsContact C-N 3.3Å; T927-A929 PolarHBondContact O-N 3.24Å
928G86.3Confident85.8Confident43 Ų4362.7 Ų62.744%0.44334%0.341SS..  trans79.55175.900000115.5P965G928-P965 WeakPolarHBondContact O-CD 3.44Å
929A89.3Confident85Confident11 Ų1167.4 Ų67.49%0.09136%0.363CS..  trans-64.7134.2171.900000111.1I918 T927 I962 L963 F964I918-A929 HydrophobicContact CG1-CB 4.2Å; I918-A929 HydrophobicContact CG2-CB 4.31Å; I918-A929 WeakPolarHBondContact CG2-O 3.46Å; T927-A929 VanDerWaalsContact C-N 3.3Å; T927-A929 PolarHBondContact O-N 3.24Å; A929-I962 HydrophobicContact CB-CG2 4.04Å; A929-L963 CarbonylContact C-O 3.46Å; A929-L963 WeakPolarHBondContact CA-O 3.15Å; A929-F964 HydrophobicContact CB-CD1 3.76Å; A929-F964 HydrophobicContact CB-CE1 3.48Å; A929-F964 VanDerWaalsContact CB-CE1 3.48Å; A929-F964 HydrophobicContact CB-CG 4.44Å; A929-F964 HydrophobicContact CB-CZ 3.94Å
930Y91.9Very high84Confident117 Ų11763.2 Ų63.246%0.45935%0.349SS..EExtended strand (participates in β ladder)trans-141150.1176.470.6-82.9000111.8I962 L963Y930-I962 CarbonylContact O-C 3.54Å; Y930-I962 WeakPolarHBondContact O-CA 3.14Å; Y930-L963 HydrophobicContact CD1-CB 4.38Å; Y930-L963 WeakPolarHBondContact CD1-O 3.49Å; Y930-L963 HydrophobicContact CE1-CB 3.82Å; Y930-L963 HydrophobicContact CE2-CB 4.33Å; Y930-L963 HydrophobicContact CE2-CD1 4.33Å; Y930-L963 PolarHBondContact N-O 3.02Å; Y930-L963 PolarHBondContact O-N 2.91Å
931L92.1Very high83Confident52 Ų5263.8 Ų63.827%0.27235%0.35SS..EExtended strand (participates in β ladder)trans-77.2122.9173.6-178.260.9000109P914 I918 D960 I962P914-L931 HydrophobicContact CB-CD1 4.09Å; P914-L931 HydrophobicContact CB-CD2 4.3Å; P914-L931 HydrophobicContact CG-CD1 4.49Å; P914-L931 HydrophobicContact CG-CD2 4.04Å; I918-L931 HydrophobicContact CD1-CB 4.15Å; L931-D960 HydrophobicContact CD1-CB 3.87Å; L931-I962 HydrophobicContact CD1-CG1 4.45Å
932A88.2Confident81.8Confident13 Ų1367.6 Ų67.611%0.10738%0.377CS..PPolyproline II helixtrans-76.3145.9177.900000111.5T936 A937 V961 L963A932-T936 HydrophobicContact CB-CG2 4.28Å; A932-A937 HydrophobicContact CB-CB 4.35Å; A932-V961 WeakPolarHBondContact CB-O 3.46Å; A932-V961 PolarHBondContact N-O 2.98Å; A932-L963 HydrophobicContact CB-CD1 3.66Å; A932-L963 HydrophobicContact CB-CG 3.96Å
933D87Confident80.6Confident72 Ų7272.6 Ų72.639%0.38539%0.388SS..PPolyproline II helixtrans-70.7159.516973.589.4000111.3S935 T936 A937D933-S935 PolarHBondContact O-N 3.26Å; D933-S935 WeakPolarHBondContact OD1-CA 3.32Å; D933-S935 VanDerWaalsContact OD1-CB 3.26Å; D933-S935 WeakPolarHBondContact OD1-CB 3.42Å; D933-S935 PolarHBondContact OD1-N 2.94Å; D933-S935 PolarHBondContact OD1-OG 3.48Å; D933-T936 PolarHBondContact O-N 3.33Å; D933-T936 PolarHBondContact OD1-N 3.24Å; D933-T936 WeakPolarHBondContact OD2-CB 3.46Å; D933-T936 PolarHBondContact OD2-OG1 3.46Å; D933-A937 WeakPolarHBondContact O-CB 3.47Å; D933-A937 PolarHBondContact O-N 2.97Å
934P78.8Confident79.2Confident90 Ų9070.3 Ų70.358%0.58438%0.377SS*.Hα-helixtrans-62.6-13.6-177.4-26.136000116.3R938P934-R938 VanDerWaalsContact O-CD 3.28Å; P934-R938 WeakPolarHBondContact O-CD 3.02Å; P934-R938 VanDerWaalsContact O-CG 3.29Å; P934-R938 WeakPolarHBondContact O-CG 3.39Å; P934-R938 PolarHBondContact O-NE 3.49Å
935S78.3Confident77.8Confident79 Ų7968.7 Ų68.755%0.55238%0.383SS*.Hα-helixtrans-86.7-46.9173.277.80000111.4D933 A937 R938 Q939D933-S935 PolarHBondContact O-N 3.26Å; D933-S935 WeakPolarHBondContact OD1-CA 3.32Å; D933-S935 VanDerWaalsContact OD1-CB 3.26Å; D933-S935 WeakPolarHBondContact OD1-CB 3.42Å; D933-S935 PolarHBondContact OD1-N 2.94Å; D933-S935 PolarHBondContact OD1-OG 3.48Å; S935-A937 PolarHBondContact O-N 3.01Å; S935-R938 PolarHBondContact O-N 3.26Å; S935-Q939 PolarHBondContact O-N 2.82Å
936T82.1Confident76.1Confident40 Ų4071.5 Ų71.525%0.24539%0.389CS..Hα-helixtrans-60.6-43.9173.6-610000111.2A932 D933 R938 Q939 V940 L963A932-T936 HydrophobicContact CB-CG2 4.28Å; D933-T936 PolarHBondContact O-N 3.33Å; D933-T936 PolarHBondContact OD1-N 3.24Å; D933-T936 WeakPolarHBondContact OD2-CB 3.46Å; D933-T936 PolarHBondContact OD2-OG1 3.46Å; T936-R938 VanDerWaalsContact C-N 3.32Å; T936-R938 PolarHBondContact O-N 3.5Å; T936-Q939 PolarHBondContact O-N 2.96Å; T936-Q939 VanDerWaalsContact O-N 3.08Å; T936-V940 HydrophobicContact CG2-CG2 4.37Å; T936-V940 PolarHBondContact O-N 2.84Å; T936-L963 HydrophobicContact CG2-CD1 3.81Å
937A77.6Confident74Confident11 Ų1180.5 Ų80.59%0.09142%0.422CS..Hα-helixtrans-55.4-44.3178.800000112.6A932 D933 S935 V940 Y941 V961A932-A937 HydrophobicContact CB-CB 4.35Å; D933-A937 WeakPolarHBondContact O-CB 3.47Å; D933-A937 PolarHBondContact O-N 2.97Å; S935-A937 PolarHBondContact O-N 3.01Å; A937-V940 PolarHBondContact O-N 3.29Å; A937-Y941 PolarHBondContact O-N 2.8Å; A937-V961 HydrophobicContact CB-CB 4.02Å; A937-V961 HydrophobicContact CB-CG2 3.93Å
938R73.4Confident71.9Confident137 Ų13780.7 Ų80.752%0.51742%0.42SS..Hα-helixtrans-65.4-38.7176.6-69170.8-170.7143.44.8112.4P934 S935 T936 V940 Y941 S942 I956P934-R938 VanDerWaalsContact O-CD 3.28Å; P934-R938 WeakPolarHBondContact O-CD 3.02Å; P934-R938 VanDerWaalsContact O-CG 3.29Å; P934-R938 WeakPolarHBondContact O-CG 3.39Å; P934-R938 PolarHBondContact O-NE 3.49Å; S935-R938 PolarHBondContact O-N 3.26Å; T936-R938 VanDerWaalsContact C-N 3.32Å; T936-R938 PolarHBondContact O-N 3.5Å; R938-V940 VanDerWaalsContact C-N 3.33Å; R938-Y941 PolarHBondContact O-N 3Å; R938-S942 PolarHBondContact O-N 2.91Å; R938-S942 VanDerWaalsContact O-N 3.14Å; R938-S942 PolarHBondContact O-OG 2.97Å; R938-I956 HydrophobicContact CG-CD1 4.35Å
939Q74.5Confident69.5Low125 Ų12584.8 Ų84.858%0.58444%0.436SS*.Hα-helixtrans-72.9-24.2179.1-163.8179.623.600113.2S935 T936 S942S935-Q939 PolarHBondContact O-N 2.82Å; T936-Q939 PolarHBondContact O-N 2.96Å; T936-Q939 VanDerWaalsContact O-N 3.08Å; Q939-S942 PolarHBondContact O-OG 2.8Å
940V70.4Confident67.1Low23 Ų2390.9 Ų90.914%0.13947%0.467CS..Hα-helixtrans-78.5-46.2169.8177.10000110.4T936 A937 R938 S942 R943 F944 L963 L970T936-V940 HydrophobicContact CG2-CG2 4.37Å; T936-V940 PolarHBondContact O-N 2.84Å; A937-V940 PolarHBondContact O-N 3.29Å; R938-V940 VanDerWaalsContact C-N 3.33Å; V940-S942 VanDerWaalsContact C-N 3.27Å; V940-S942 PolarHBondContact O-N 2.81Å; V940-R943 WeakPolarHBondContact O-CB 3.46Å; V940-R943 PolarHBondContact O-N 2.83Å; V940-F944 HydrophobicContact CG1-CD2 4.12Å; V940-F944 HydrophobicContact CG1-CE2 3.78Å; V940-F944 WeakPolarHBondContact O-CD2 3.39Å; V940-L963 HydrophobicContact CB-CD2 4.41Å; V940-L963 HydrophobicContact CG1-CD2 3.96Å; V940-L963 HydrophobicContact CG2-CD1 3.87Å; V940-L963 HydrophobicContact CG2-CD2 4.15Å; V940-L970 HydrophobicContact CG1-CD2 3.77Å
941Y66.3Low64.6Low69 Ų6992 Ų9227%0.27147%0.474SS..Hα-helixtrans-56-38.3178.3-99.2-56.1000113.4A937 R938 R943 F944 S945 E959 V961 C972A937-Y941 PolarHBondContact O-N 2.8Å; R938-Y941 PolarHBondContact O-N 3Å; Y941-R943 PolarHBondContact O-N 2.72Å; Y941-R943 VanDerWaalsContact O-N 3.09Å; Y941-F944 PolarHBondContact O-N 3.35Å; Y941-S945 PolarHBondContact O-N 2.86Å; Y941-E959 WeakPolarHBondContact CE2-OE2 3.41Å; Y941-E959 VanDerWaalsContact CZ-OE2 3.3Å; Y941-E959 PolarHBondContact OH-OE2 3.12Å; Y941-V961 HydrophobicContact CD2-CG2 4.43Å; Y941-V961 HydrophobicContact CE2-CG2 3.89Å; Y941-C972 VanDerWaalsContact CZ-SG 3.59Å; Y941-C972 PolarHBondContact OH-SG 2.71Å
942S66.3Low61.8Low80 Ų8098.3 Ų98.356%0.55950%0.503SS*.Hα-helixtrans-67.2-5.8177.963.70000115R938 Q939 V940 S945R938-S942 PolarHBondContact O-N 2.91Å; R938-S942 VanDerWaalsContact O-N 3.14Å; R938-S942 PolarHBondContact O-OG 2.97Å; Q939-S942 PolarHBondContact O-OG 2.8Å; V940-S942 VanDerWaalsContact C-N 3.27Å; V940-S942 PolarHBondContact O-N 2.81Å; S942-S945 PolarHBondContact O-OG 2.8Å
943R64.5Low59.4Low172 Ų172103.5 Ų103.565%0.64954%0.538SS*.Hα-helixtrans-90.6-19.9170.3-59179.1179.2179.2-0.5113.5V940 Y941V940-R943 WeakPolarHBondContact O-CB 3.46Å; V940-R943 PolarHBondContact O-N 2.83Å; Y941-R943 PolarHBondContact O-N 2.72Å; Y941-R943 VanDerWaalsContact O-N 3.09Å
944F56.9Low57.2Low59 Ų59103.1 Ų103.126%0.25955%0.552SS.*Hα-helixtrans-111.1-0.9-173.4-65.6-72.4000114V940 Y941 V946 Y947 L970 I981V940-F944 HydrophobicContact CG1-CD2 4.12Å; V940-F944 HydrophobicContact CG1-CE2 3.78Å; V940-F944 WeakPolarHBondContact O-CD2 3.39Å; Y941-F944 PolarHBondContact O-N 3.35Å; F944-V946 PolarHBondContact O-N 3.02Å; F944-Y947 PolarHBondContact O-N 2.75Å; F944-L970 HydrophobicContact CD2-CD2 3.86Å; F944-L970 HydrophobicContact CE2-CD2 3.49Å; F944-L970 VanDerWaalsContact CE2-CD2 3.49Å; F944-L970 HydrophobicContact CZ-CD2 4.16Å; F944-I981 HydrophobicContact CD1-CD1 4.25Å; F944-I981 HydrophobicContact CG-CD1 4.28Å
945S52.4Low55.8Low83 Ų83103.1 Ų103.158%0.5855%0.553SS**G310 helixtrans-61.1-6.5179.644.90000115.6Y941 S942 Y947Y941-S945 PolarHBondContact O-N 2.86Å; S942-S945 PolarHBondContact O-OG 2.8Å; S945-Y947 VanDerWaalsContact C-N 3.27Å; S945-Y947 PolarHBondContact O-N 3.24Å
946V48.8Very low54.6Low115 Ų115103.4 Ų103.470%0.69755%0.548SS*.G310 helixtrans-68.7-22.4174.4-176.60000112.7F944F944-V946 PolarHBondContact O-N 3.02Å
947Y42.6Very low53.2Low207 Ų207108.6 Ų108.681%0.81257%0.569SS**G310 helixtrans-1117.6-169.9-72.6-77.5000115.8F944 S945F944-Y947 PolarHBondContact O-N 2.75Å; S945-Y947 VanDerWaalsContact C-N 3.27Å; S945-Y947 PolarHBondContact O-N 3.24Å
948N43Very low52.6Low97 Ų97113.3 Ų113.352%0.51959%0.593SS.*  trans-139.983.8-173.8-158.2-18.3000112.9N950N948-N950 VanDerWaalsContact C-N 3.33Å; N948-N950 PolarHBondContact O-N 3.28Å
949T36Very low52.6Low128 Ų128109 Ų10979%0.78558%0.579SS**THydrogen-bonded Turntrans-78.7-7.5-174.550.50000115
950N37.1Very low53.2Low140 Ų140105 Ų10575%0.74956%0.561SS**THydrogen-bonded Turntrans-110.415.7-161.9-68.813.2000115.3N948N948-N950 VanDerWaalsContact C-N 3.33Å; N948-N950 PolarHBondContact O-N 3.28Å
951K40.2Very low54.1Low139 Ų139104.1 Ų104.160%0.60456%0.556SS**  trans-116.896.7169-88.2-171.1172.1-178.30111.2E959K951-E959 IonicContact NZ-OE1 3.89Å; K951-E959 PolarHBondContact NZ-OE1 3.46Å
952Q34.2Very low55.3Low185 Ų185100.9 Ų100.986%0.86454%0.543SS*.  trans-74.5120.9164.6-71.5-175.3-6.900110.3G954Q952-G954 PolarHBondContact O-N 2.86Å
953S37.1Very low56.3Low123 Ų12397.7 Ų97.786%0.8652%0.52SS*.SBendtrans38.546.8153.561.30000118.9
954G41.7Very low57.5Low64 Ų6490.3 Ų90.366%0.6649%0.493SS*.  trans-78.6147.916100000111.3Q952 I956Q952-G954 PolarHBondContact O-N 2.86Å; G954-I956 PolarHBondContact O-N 2.83Å
955S48.2Very low58.9Low89 Ų8992.1 Ų92.162%0.62251%0.511SS*.  trans-69.2129.9171.746.30000110.5Q957S955-Q957 PolarHBondContact O-N 3.49Å
956I53.5Low60.3Low86 Ų8691.4 Ų91.444%0.44150%0.5SS..  trans-7875.2172.1-50.2173.2000108.4R938 G954 E959R938-I956 HydrophobicContact CG-CD1 4.35Å; G954-I956 PolarHBondContact O-N 2.83Å; I956-E959 HydrophobicContact CG2-CB 4.3Å
957Q53.4Low61.8Low148 Ų14890.3 Ų90.369%0.69250%0.495SS*.  trans-122.6137.3167.9-71.4170.5-35.500105.8S955S955-Q957 PolarHBondContact O-N 3.49Å
958N63.5Low63.6Low110 Ų11084.6 Ų84.659%0.58848%0.479SS*.SBendtrans69.916-174.6-56.24.7000118.2R911 D975R911-N958 VanDerWaalsContact CZ-O 3.27Å; R911-N958 PolarHBondContact NH1-O 3.1Å; R911-N958 PolarHBondContact NH2-O 3.21Å; N958-D975 WeakPolarHBondContact CB-OD2 3.4Å; N958-D975 PolarHBondContact ND2-OD2 3.16Å
959E74.4Confident65.6Low48 Ų4880.1 Ų80.122%0.22446%0.455CS..  trans-95.7121.1166.2-61.9-161.4168.900111.5Y941 K951 I956 H974Y941-E959 WeakPolarHBondContact CE2-OE2 3.41Å; Y941-E959 VanDerWaalsContact CZ-OE2 3.3Å; Y941-E959 PolarHBondContact OH-OE2 3.12Å; K951-E959 IonicContact NZ-OE1 3.89Å; K951-E959 PolarHBondContact NZ-OE1 3.46Å; I956-E959 HydrophobicContact CG2-CB 4.3Å; E959-H974 VanDerWaalsContact CD-ND1 3.27Å; E959-H974 IonicContact OE1-CE1 3.84Å; E959-H974 PolarHBondContact OE1-CE1 3.36Å; E959-H974 IonicContact OE1-ND1 2.69Å; E959-H974 PolarHBondContact OE1-ND1 3.41Å; E959-H974 IonicContact OE2-CE1 2.81Å; E959-H974 IonicContact OE2-ND1 3.73Å
960D86.8Confident68.1Low39 Ų3974.4 Ų74.421%0.20942%0.42CS..EExtended strand (participates in β ladder)trans-91.8132.1170.1-72.9-47.2000109.6R911 P914 L931 C972 L973R911-D960 IonicContact CZ-OD2 3.14Å; R911-D960 IonicContact NE-OD2 2.87Å; R911-D960 VanDerWaalsContact NH2-CG 3.27Å; R911-D960 IonicContact NH2-OD1 3.93Å; R911-D960 IonicContact NH2-OD2 2.69Å; R911-D960 PolarHBondContact NH2-OD2 2.89Å; P914-D960 HydrophobicContact CB-CB 4.32Å; P914-D960 HydrophobicContact CG-CB 4.42Å; L931-D960 HydrophobicContact CD1-CB 3.87Å; D960-C972 CarbonylContact O-C 3.56Å; D960-C972 WeakPolarHBondContact O-CA 3.38Å; D960-L973 HydrophobicContact CB-CB 4.26Å; D960-L973 PolarHBondContact N-O 3.07Å; D960-L973 VanDerWaalsContact N-O 3.08Å; D960-L973 PolarHBondContact O-N 3.46Å
961V88.9Confident70.5Confident6 Ų667.8 Ų67.84%0.03638%0.384CS..EExtended strand (participates in β ladder)trans-120114.2179.1-177.80000110.3A932 A937 Y941 L963A932-V961 WeakPolarHBondContact CB-O 3.46Å; A932-V961 PolarHBondContact N-O 2.98Å; A937-V961 HydrophobicContact CB-CB 4.02Å; A937-V961 HydrophobicContact CB-CG2 3.93Å; Y941-V961 HydrophobicContact CD2-CG2 4.43Å; Y941-V961 HydrophobicContact CE2-CG2 3.89Å; V961-L963 HydrophobicContact CG1-CD2 3.89Å; V961-L963 HydrophobicContact CG1-CG 4.35Å
962I90.8Very high72.7Confident0 Ų061.2 Ų61.20%036%0.356CS..EExtended strand (participates in β ladder)trans-95.2122.6176-56.5167.4000108.5P914 L917 I918 A929 Y930 L931 F964 L970 I971 L973P914-I962 HydrophobicContact CB-CD1 4.2Å; P914-I962 HydrophobicContact CB-CG1 4.4Å; L917-I962 HydrophobicContact CB-CD1 4.49Å; L917-I962 HydrophobicContact CD2-CD1 3.86Å; L917-I962 HydrophobicContact CG-CD1 4.32Å; I918-I962 HydrophobicContact CD1-CD1 4.41Å; I918-I962 HydrophobicContact CD1-CG1 4.19Å; I918-I962 HydrophobicContact CD1-CG2 4.07Å; I918-I962 HydrophobicContact CG1-CD1 4.1Å; I918-I962 HydrophobicContact CG1-CG1 4.32Å; I918-I962 HydrophobicContact CG1-CG2 3.8Å; A929-I962 HydrophobicContact CB-CG2 4.04Å; Y930-I962 CarbonylContact O-C 3.54Å; Y930-I962 WeakPolarHBondContact O-CA 3.14Å; L931-I962 HydrophobicContact CD1-CG1 4.45Å; I962-F964 HydrophobicContact CG2-CE2 3.89Å; I962-F964 HydrophobicContact CG2-CZ 4.13Å; I962-L970 WeakPolarHBondContact O-CA 3.35Å; I962-I971 HydrophobicContact CB-CB 4.32Å; I962-I971 PolarHBondContact N-O 3.13Å; I962-I971 PolarHBondContact O-N 2.77Å; I962-L973 HydrophobicContact CD1-CD1 4.04Å
963L88.7Confident75.1Confident14 Ų1452.5 Ų52.57%0.07332%0.315CS..EExtended strand (participates in β ladder)trans-107.4153.4178.2-60.2178.5000110.7A929 Y930 A932 T936 V940 V961 L970A929-L963 CarbonylContact C-O 3.46Å; A929-L963 WeakPolarHBondContact CA-O 3.15Å; Y930-L963 HydrophobicContact CD1-CB 4.38Å; Y930-L963 WeakPolarHBondContact CD1-O 3.49Å; Y930-L963 HydrophobicContact CE1-CB 3.82Å; Y930-L963 HydrophobicContact CE2-CB 4.33Å; Y930-L963 HydrophobicContact CE2-CD1 4.33Å; Y930-L963 PolarHBondContact N-O 3.02Å; Y930-L963 PolarHBondContact O-N 2.91Å; A932-L963 HydrophobicContact CB-CD1 3.66Å; A932-L963 HydrophobicContact CB-CG 3.96Å; T936-L963 HydrophobicContact CG2-CD1 3.81Å; V940-L963 HydrophobicContact CB-CD2 4.41Å; V940-L963 HydrophobicContact CG1-CD2 3.96Å; V940-L963 HydrophobicContact CG2-CD1 3.87Å; V940-L963 HydrophobicContact CG2-CD2 4.15Å; V961-L963 HydrophobicContact CG1-CD2 3.89Å; V961-L963 HydrophobicContact CG1-CG 4.35Å; L963-L970 HydrophobicContact CD2-CB 3.94Å
964F90.3Very high77.1Confident16 Ų1648.9 Ų48.97%0.0729%0.285CS..  trans-122.1163.4-178.7-64.1-104.4000109.7L921 V926 A929 I962 N966 T969 I971 I991L921-F964 HydrophobicContact CD1-CE1 4.24Å; L921-F964 HydrophobicContact CD1-CZ 3.92Å; V926-F964 HydrophobicContact CG1-CD1 4.01Å; V926-F964 HydrophobicContact CG1-CE1 3.62Å; A929-F964 HydrophobicContact CB-CD1 3.76Å; A929-F964 HydrophobicContact CB-CE1 3.48Å; A929-F964 VanDerWaalsContact CB-CE1 3.48Å; A929-F964 HydrophobicContact CB-CG 4.44Å; A929-F964 HydrophobicContact CB-CZ 3.94Å; I962-F964 HydrophobicContact CG2-CE2 3.89Å; I962-F964 HydrophobicContact CG2-CZ 4.13Å; F964-N966 PolarHBondContact O-N 3.39Å; F964-T969 HydrophobicContact CB-CG2 4.37Å; F964-T969 HydrophobicContact CD1-CG2 4.4Å; F964-T969 HydrophobicContact CD2-CG2 3.73Å; F964-T969 WeakPolarHBondContact CD2-O 3.45Å; F964-T969 HydrophobicContact CE2-CG2 4.09Å; F964-T969 HydrophobicContact CG-CG2 3.91Å; F964-I971 HydrophobicContact CE2-CD1 3.97Å; F964-I971 HydrophobicContact CE2-CG1 3.95Å; F964-I971 HydrophobicContact CZ-CD1 3.72Å; F964-I971 HydrophobicContact CZ-CG1 4.22Å; F964-I991 HydrophobicContact CZ-CD1 4.25Å
965P84.8Confident78.3Confident98 Ų9849 Ų4964%0.63627%0.27SS*.SBendtrans-64.8-22.4177.1-20.334.2000112.8G928G928-P965 WeakPolarHBondContact O-CD 3.44Å
966N82.6Confident79.1Confident67 Ų6752.8 Ų52.836%0.35828%0.278SS..SBendtrans-82.2114.1167.7-179.3-4.9000109.3F964 N968 T969F964-N966 PolarHBondContact O-N 3.39Å; N966-N968 PolarHBondContact O-N 3.49Å; N966-N968 VanDerWaalsContact O-N 3.09Å; N966-N968 WeakPolarHBondContact OD1-CB 3.39Å; N966-N968 PolarHBondContact OD1-N 2.61Å; N966-T969 PolarHBondContact O-N 3.09Å
967P79.2Confident79.7Confident92 Ų9250.5 Ų50.560%0.59728%0.276SS*.THydrogen-bonded Turntrans-66.3-13.2-17829-36.5000113.6T969P967-T969 VanDerWaalsContact C-N 3.29Å
968N80.8Confident80.8Confident87 Ų8745.8 Ų45.847%0.46526%0.259SS..THydrogen-bonded Turntrans-92.120.7175.1-56.4-33.3000112.2N966 C982 M983N966-N968 PolarHBondContact O-N 3.49Å; N966-N968 VanDerWaalsContact O-N 3.09Å; N966-N968 WeakPolarHBondContact OD1-CB 3.39Å; N966-N968 PolarHBondContact OD1-N 2.61Å; N968-C982 WeakPolarHBondContact O-CA 3.34Å; N968-M983 HydrophobicContact CB-CB 4.26Å; N968-M983 HydrophobicContact CB-CG 3.9Å; N968-M983 PolarHBondContact O-N 3.12Å
969T85.1Confident81.6Confident4 Ų444.9 Ų44.93%0.02525%0.251CS..EExtended strand (participates in β ladder)trans-140.1124.7174.5-580000111.6F964 N966 P967 I981 C982 T987 I991F964-T969 HydrophobicContact CB-CG2 4.37Å; F964-T969 HydrophobicContact CD1-CG2 4.4Å; F964-T969 HydrophobicContact CD2-CG2 3.73Å; F964-T969 WeakPolarHBondContact CD2-O 3.45Å; F964-T969 HydrophobicContact CE2-CG2 4.09Å; F964-T969 HydrophobicContact CG-CG2 3.91Å; N966-T969 PolarHBondContact O-N 3.09Å; P967-T969 VanDerWaalsContact C-N 3.29Å; T969-I981 CarbonylContact C-O 3.57Å; T969-I981 VanDerWaalsContact CA-O 3.25Å; T969-I981 WeakPolarHBondContact CA-O 3.44Å; T969-C982 HydrophobicContact CG2-CB 4.04Å; T969-C982 PolarHBondContact OG1-SG 2.95Å; T969-T987 HydrophobicContact CG2-CG2 4.21Å; T969-I991 HydrophobicContact CG2-CD1 3.93Å
970L88.9Confident82Confident8 Ų845.5 Ų45.54%0.04226%0.255CS..EExtended strand (participates in β ladder)trans-150.5156.8173.265.384.5000111.4V940 F944 I962 L963 I981V940-L970 HydrophobicContact CG1-CD2 3.77Å; F944-L970 HydrophobicContact CD2-CD2 3.86Å; F944-L970 HydrophobicContact CE2-CD2 3.49Å; F944-L970 VanDerWaalsContact CE2-CD2 3.49Å; F944-L970 HydrophobicContact CZ-CD2 4.16Å; I962-L970 WeakPolarHBondContact O-CA 3.35Å; L963-L970 HydrophobicContact CD2-CB 3.94Å; L970-I981 HydrophobicContact CD1-CB 4.32Å; L970-I981 HydrophobicContact CD1-CD1 4.13Å; L970-I981 HydrophobicContact CD1-CG1 4.15Å; L970-I981 HydrophobicContact CD2-CD1 4.49Å; L970-I981 HydrophobicContact CG-CB 4.18Å; L970-I981 HydrophobicContact CG-CD1 4.41Å; L970-I981 HydrophobicContact CG-CG1 4.48Å; L970-I981 PolarHBondContact N-O 2.84Å; L970-I981 PolarHBondContact O-N 3.21Å
971I88.6Confident81.7Confident0 Ų046.1 Ų46.10%026%0.258CS..EExtended strand (participates in β ladder)trans-127.7125.2172.5-56.3167.5000108.2L917 L921 I962 F964 L973 H979 I980 I991L917-I971 HydrophobicContact CD2-CD1 4.32Å; L917-I971 HydrophobicContact CD2-CG2 4.42Å; L921-I971 HydrophobicContact CD1-CD1 3.95Å; I962-I971 HydrophobicContact CB-CB 4.32Å; I962-I971 PolarHBondContact N-O 3.13Å; I962-I971 PolarHBondContact O-N 2.77Å; F964-I971 HydrophobicContact CE2-CD1 3.97Å; F964-I971 HydrophobicContact CE2-CG1 3.95Å; F964-I971 HydrophobicContact CZ-CD1 3.72Å; F964-I971 HydrophobicContact CZ-CG1 4.22Å; I971-L973 HydrophobicContact CG2-CD2 3.86Å; I971-L973 HydrophobicContact CG2-CG 4.33Å; I971-H979 WeakPolarHBondContact CA-O 3.42Å; I971-I980 HydrophobicContact CG1-CG1 4.4Å; I971-I980 HydrophobicContact CG1-CG2 4.27Å; I971-I980 HydrophobicContact CG2-CG1 4.36Å; I971-I991 HydrophobicContact CD1-CD1 4.22Å; I971-I991 HydrophobicContact CD1-CG1 4.27Å; I971-I991 HydrophobicContact CD1-CG2 3.64Å; I971-I991 HydrophobicContact CG1-CG2 4.22Å
972C85.9Confident81.5Confident1 Ų146.9 Ų46.91%0.00726%0.263CS..EExtended strand (participates in β ladder)trans-99.5134.8166.6-56.60000109.3Y941 D960 S978 H979Y941-C972 VanDerWaalsContact CZ-SG 3.59Å; Y941-C972 PolarHBondContact OH-SG 2.71Å; D960-C972 CarbonylContact O-C 3.56Å; D960-C972 WeakPolarHBondContact O-CA 3.38Å; C972-S978 CarbonylContact O-C 3.6Å; C972-S978 WeakPolarHBondContact O-CA 3.14Å; C972-H979 HydrophobicContact CB-CB 4.42Å; C972-H979 PolarHBondContact N-O 3.23Å; C972-H979 PolarHBondContact O-N 3.48Å
973L84.6Confident80.8Confident3 Ų354.4 Ų54.42%0.01630%0.3CS..EExtended strand (participates in β ladder)trans-113.3131.2172.8-52.9171000109.3P914 L917 D960 I962 I971P914-L973 HydrophobicContact CB-CD1 4.08Å; L917-L973 HydrophobicContact CD2-CD1 4.17Å; L917-L973 HydrophobicContact CD2-CD2 4.07Å; D960-L973 HydrophobicContact CB-CB 4.26Å; D960-L973 PolarHBondContact N-O 3.07Å; D960-L973 VanDerWaalsContact N-O 3.08Å; D960-L973 PolarHBondContact O-N 3.46Å; I962-L973 HydrophobicContact CD1-CD1 4.04Å; I971-L973 HydrophobicContact CG2-CD2 3.86Å; I971-L973 HydrophobicContact CG2-CG 4.33Å
974H77.7Confident80.5Confident47 Ų4756.8 Ų56.822%0.21831%0.313CS..EExtended strand (participates in β ladder)trans-117.5163176.4-46.6-75.4000108.7E959 H976 G977E959-H974 VanDerWaalsContact CD-ND1 3.27Å; E959-H974 IonicContact OE1-CE1 3.84Å; E959-H974 PolarHBondContact OE1-CE1 3.36Å; E959-H974 IonicContact OE1-ND1 2.69Å; E959-H974 PolarHBondContact OE1-ND1 3.41Å; E959-H974 IonicContact OE2-CE1 2.81Å; E959-H974 IonicContact OE2-ND1 3.73Å; H974-H976 PolarHBondContact O-N 2.8Å; H974-G977 PolarHBondContact N-O 2.98Å; H974-G977 PolarHBondContact O-N 2.86Å; H974-G977 VanDerWaalsContact O-O 3.08Å
975D67.4Low79.8Confident67 Ų6760.6 Ų60.636%0.35833%0.331SS..THydrogen-bonded Turntrans-57.4-24.9-179.8-67.7-54.3000114.1R911 N958R911-D975 IonicContact CZ-OD1 2.75Å; R911-D975 VanDerWaalsContact NH1-CG 3.33Å; R911-D975 IonicContact NH1-OD1 2.71Å; R911-D975 PolarHBondContact NH1-OD1 3.1Å; R911-D975 IonicContact NH1-OD2 3.96Å; N958-D975 WeakPolarHBondContact CB-OD2 3.4Å; N958-D975 PolarHBondContact ND2-OD2 3.16Å
976H64.8Low79.7Confident167 Ų16760 Ų6077%0.77333%0.329SS*.THydrogen-bonded Turntrans-128.522.4-178.3-54.8-27.3000113.8H974H974-H976 PolarHBondContact O-N 2.8Å
977G67.3Low79.7Confident39 Ų3958.3 Ų58.340%0.40232%0.321SS..EExtended strand (participates in β ladder)trans174.4176.317700000115.3H974H974-G977 PolarHBondContact N-O 2.98Å; H974-G977 PolarHBondContact O-N 2.86Å; H974-G977 VanDerWaalsContact O-O 3.08Å
978S76.2Confident79.9Confident48 Ų4860.1 Ų60.134%0.33632%0.316SS..EExtended strand (participates in β ladder)trans-132.6139.3174.962.20000110.7C972C972-S978 CarbonylContact O-C 3.6Å; C972-S978 WeakPolarHBondContact O-CA 3.14Å
979H79.8Confident79.9Confident92 Ų9258.1 Ų58.143%0.42631%0.307SS..EExtended strand (participates in β ladder)trans-119.2128.8176-176-94.6000109.8I971 C972I971-H979 WeakPolarHBondContact CA-O 3.42Å; C972-H979 HydrophobicContact CB-CB 4.42Å; C972-H979 PolarHBondContact N-O 3.23Å; C972-H979 PolarHBondContact O-N 3.48Å
980I83.3Confident79.9Confident61 Ų6159 Ų5931%0.31332%0.315SS..EExtended strand (participates in β ladder)trans-123.1126-171.1-52.5154.8000108.2I971 C982 I991 I995I971-I980 HydrophobicContact CG1-CG1 4.4Å; I971-I980 HydrophobicContact CG1-CG2 4.27Å; I971-I980 HydrophobicContact CG2-CG1 4.36Å; I980-C982 HydrophobicContact CG2-CB 4.4Å; I980-I991 HydrophobicContact CD1-CG2 3.97Å; I980-I991 HydrophobicContact CG1-CG2 4.27Å; I980-I991 HydrophobicContact CG2-CD1 4.49Å; I980-I991 HydrophobicContact CG2-CG2 4.06Å; I980-I995 HydrophobicContact CD1-CD1 3.61Å; I980-I995 HydrophobicContact CG1-CD1 4.04Å
981I80.1Confident79.9Confident51 Ų5158.6 Ų58.626%0.26231%0.313SS..EExtended strand (participates in β ladder)trans-111.4122.2167.1-53.7178.7000106.2F944 T969 L970F944-I981 HydrophobicContact CD1-CD1 4.25Å; F944-I981 HydrophobicContact CG-CD1 4.28Å; T969-I981 CarbonylContact C-O 3.57Å; T969-I981 VanDerWaalsContact CA-O 3.25Å; T969-I981 WeakPolarHBondContact CA-O 3.44Å; L970-I981 HydrophobicContact CD1-CB 4.32Å; L970-I981 HydrophobicContact CD1-CD1 4.13Å; L970-I981 HydrophobicContact CD1-CG1 4.15Å; L970-I981 HydrophobicContact CD2-CD1 4.49Å; L970-I981 HydrophobicContact CG-CB 4.18Å; L970-I981 HydrophobicContact CG-CD1 4.41Å; L970-I981 HydrophobicContact CG-CG1 4.48Å; L970-I981 PolarHBondContact N-O 2.84Å; L970-I981 PolarHBondContact O-N 3.21Å
982C83.8Confident79.6Confident23 Ų2364.7 Ų64.716%0.15534%0.336CS..EExtended strand (participates in β ladder)trans-154.2132.7176.4-171.60000109.9N968 T969 I980 R988N968-C982 WeakPolarHBondContact O-CA 3.34Å; T969-C982 HydrophobicContact CG2-CB 4.04Å; T969-C982 PolarHBondContact OG1-SG 2.95Å; I980-C982 HydrophobicContact CG2-CB 4.4Å; C982-R988 HydrophobicContact CB-CB 4.44Å
983M77.5Confident79.4Confident157 Ų15767.4 Ų67.477%0.77335%0.35SS*.SBendtrans-93.6-12.5179-69.5-63.2-62.400114.3N968N968-M983 HydrophobicContact CB-CB 4.26Å; N968-M983 HydrophobicContact CB-CG 3.9Å; N968-M983 PolarHBondContact O-N 3.12Å
984D81Confident79.4Confident64 Ų6467.2 Ų67.234%0.34235%0.35SS..  trans-103.2126.9-178.4174.867.7000111.3S986 T987 R988D984-S986 PolarHBondContact O-N 3.02Å; D984-S986 PolarHBondContact OD2-N 3.06Å; D984-S986 PolarHBondContact OD2-OG 3.14Å; D984-T987 PolarHBondContact O-N 3.19Å; D984-T987 VanDerWaalsContact OD2-CB 3.28Å; D984-T987 WeakPolarHBondContact OD2-CB 3.39Å; D984-T987 PolarHBondContact OD2-N 3.38Å; D984-T987 PolarHBondContact OD2-OG1 2.79Å; D984-R988 VanDerWaalsContact O-CB 3.25Å; D984-R988 WeakPolarHBondContact O-CB 3.45Å; D984-R988 PolarHBondContact O-N 2.88Å
985E76.7Confident79.6Confident97 Ų9765.8 Ų65.845%0.45334%0.343SS..Hα-helixtrans-67.9-34.9-174-170.957.2-123.800113R988 T989E985-R988 IonicContact OE1-CZ 3.92Å; E985-R988 IonicContact OE1-NE 3.05Å; E985-R988 PolarHBondContact OE1-NE 3.34Å; E985-R988 IonicContact OE1-NH2 2.69Å; E985-R988 PolarHBondContact OE1-NH2 3.05Å; E985-R988 IonicContact OE2-CZ 2.68Å; E985-R988 IonicContact OE2-NE 3.93Å; E985-R988 PolarHBondContact OE2-NE 2.8Å; E985-R988 VanDerWaalsContact OE2-NE 3.14Å; E985-R988 IonicContact OE2-NH1 3.58Å; E985-R988 IonicContact OE2-NH2 3.61Å; E985-R988 PolarHBondContact OE2-NH2 3.41Å; E985-T989 VanDerWaalsContact O-CB 3.31Å; E985-T989 WeakPolarHBondContact O-CB 3.13Å; E985-T989 PolarHBondContact O-N 3.05Å; E985-T989 PolarHBondContact O-OG1 3.12Å
986S82.1Confident79.9Confident85 Ų8564.2 Ų64.259%0.59434%0.335SS*.Hα-helixtrans-69.4-42.1179.779.50000111.1D984 T989 A990D984-S986 PolarHBondContact O-N 3.02Å; D984-S986 PolarHBondContact OD2-N 3.06Å; D984-S986 PolarHBondContact OD2-OG 3.14Å; S986-T989 PolarHBondContact O-N 3.31Å; S986-A990 WeakPolarHBondContact O-CB 3.5Å; S986-A990 PolarHBondContact O-N 2.68Å
987T83.9Confident80.4Confident31 Ų3160.5 Ų60.519%0.1932%0.32CS..Hα-helixtrans-68-42.8176.1-54.30000110.5V926 T969 D984 T989 A990 I991V926-T987 HydrophobicContact CG1-CG2 4.16Å; T969-T987 HydrophobicContact CG2-CG2 4.21Å; D984-T987 PolarHBondContact O-N 3.19Å; D984-T987 VanDerWaalsContact OD2-CB 3.28Å; D984-T987 WeakPolarHBondContact OD2-CB 3.39Å; D984-T987 PolarHBondContact OD2-N 3.38Å; D984-T987 PolarHBondContact OD2-OG1 2.79Å; T987-T989 VanDerWaalsContact C-N 3.35Å; T987-T989 PolarHBondContact O-N 3.44Å; T987-A990 PolarHBondContact O-N 2.84Å; T987-I991 HydrophobicContact CG2-CD1 3.86Å; T987-I991 HydrophobicContact CG2-CG1 4.47Å; T987-I991 WeakPolarHBondContact O-CB 3.4Å; T987-I991 VanDerWaalsContact O-CG1 3.25Å; T987-I991 WeakPolarHBondContact O-CG1 3.47Å; T987-I991 PolarHBondContact O-N 3.22Å
988R82.6Confident80.6Confident130 Ų13061.6 Ų61.649%0.49131%0.314SS..Hα-helixtrans-58.3-45173.3-172.5179.781.3154.94.6111.8C982 D984 E985 I991 R992C982-R988 HydrophobicContact CB-CB 4.44Å; D984-R988 VanDerWaalsContact O-CB 3.25Å; D984-R988 WeakPolarHBondContact O-CB 3.45Å; D984-R988 PolarHBondContact O-N 2.88Å; E985-R988 IonicContact OE1-CZ 3.92Å; E985-R988 IonicContact OE1-NE 3.05Å; E985-R988 PolarHBondContact OE1-NE 3.34Å; E985-R988 IonicContact OE1-NH2 2.69Å; E985-R988 PolarHBondContact OE1-NH2 3.05Å; E985-R988 IonicContact OE2-CZ 2.68Å; E985-R988 IonicContact OE2-NE 3.93Å; E985-R988 PolarHBondContact OE2-NE 2.8Å; E985-R988 VanDerWaalsContact OE2-NE 3.14Å; E985-R988 IonicContact OE2-NH1 3.58Å; E985-R988 IonicContact OE2-NH2 3.61Å; E985-R988 PolarHBondContact OE2-NH2 3.41Å; R988-I991 PolarHBondContact O-N 3.21Å; R988-R992 VanDerWaalsContact O-CB 3.28Å; R988-R992 WeakPolarHBondContact O-CB 3.35Å; R988-R992 PolarHBondContact O-N 2.95Å
989T80.4Confident79.9Confident45 Ų4560.9 Ų60.928%0.27631%0.307SS..Hα-helixtrans-63.2-48176.7-650000111.3E985 S986 T987 I991 R992 D993E985-T989 VanDerWaalsContact O-CB 3.31Å; E985-T989 WeakPolarHBondContact O-CB 3.13Å; E985-T989 PolarHBondContact O-N 3.05Å; E985-T989 PolarHBondContact O-OG1 3.12Å; S986-T989 PolarHBondContact O-N 3.31Å; T987-T989 VanDerWaalsContact C-N 3.35Å; T987-T989 PolarHBondContact O-N 3.44Å; T989-I991 PolarHBondContact O-N 2.93Å; T989-R992 PolarHBondContact O-N 3.16Å; T989-D993 WeakPolarHBondContact O-CB 3.28Å; T989-D993 PolarHBondContact O-N 2.93Å
990A85.8Confident78.6Confident23 Ų2364 Ų6419%0.1932%0.322CS..Hα-helixtrans-63.5-38.8177.900000112.7V926 S986 T987 T994V926-A990 HydrophobicContact CG2-CB 3.53Å; S986-A990 WeakPolarHBondContact O-CB 3.5Å; S986-A990 PolarHBondContact O-N 2.68Å; T987-A990 PolarHBondContact O-N 2.84Å; A990-T994 VanDerWaalsContact O-CB 3.24Å; A990-T994 WeakPolarHBondContact O-CB 3.35Å; A990-T994 PolarHBondContact O-N 2.97Å; A990-T994 PolarHBondContact O-OG1 2.84Å
991I87.5Confident76.8Confident0 Ų065.9 Ų65.90%033%0.329CS..Hα-helixtrans-65.9-50.8174.3-69.1166.7000110.6L921 F964 T969 I971 I980 T987 R988 T989 D993 T994 I995L921-I991 HydrophobicContact CD2-CB 4.3Å; L921-I991 HydrophobicContact CD2-CG1 3.78Å; F964-I991 HydrophobicContact CZ-CD1 4.25Å; T969-I991 HydrophobicContact CG2-CD1 3.93Å; I971-I991 HydrophobicContact CD1-CD1 4.22Å; I971-I991 HydrophobicContact CD1-CG1 4.27Å; I971-I991 HydrophobicContact CD1-CG2 3.64Å; I971-I991 HydrophobicContact CG1-CG2 4.22Å; I980-I991 HydrophobicContact CD1-CG2 3.97Å; I980-I991 HydrophobicContact CG1-CG2 4.27Å; I980-I991 HydrophobicContact CG2-CD1 4.49Å; I980-I991 HydrophobicContact CG2-CG2 4.06Å; T987-I991 HydrophobicContact CG2-CD1 3.86Å; T987-I991 HydrophobicContact CG2-CG1 4.47Å; T987-I991 WeakPolarHBondContact O-CB 3.4Å; T987-I991 VanDerWaalsContact O-CG1 3.25Å; T987-I991 WeakPolarHBondContact O-CG1 3.47Å; T987-I991 PolarHBondContact O-N 3.22Å; R988-I991 PolarHBondContact O-N 3.21Å; T989-I991 PolarHBondContact O-N 2.93Å; I991-D993 PolarHBondContact O-N 2.91Å; I991-T994 PolarHBondContact O-N 3.13Å; I991-T994 VanDerWaalsContact O-N 3.11Å; I991-I995 HydrophobicContact CG2-CD1 3.7Å; I991-I995 HydrophobicContact CG2-CG1 4.43Å; I991-I995 PolarHBondContact O-N 3.29Å
992R83Confident74.9Confident127 Ų12767.6 Ų67.648%0.47934%0.338SS..Hα-helixtrans-52.5-55.6177.6-179.5-162.171.7-161.6-2.6110.9R988 T989 T994 I995 L996R988-R992 VanDerWaalsContact O-CB 3.28Å; R988-R992 WeakPolarHBondContact O-CB 3.35Å; R988-R992 PolarHBondContact O-N 2.95Å; T989-R992 PolarHBondContact O-N 3.16Å; R992-T994 PolarHBondContact O-N 3.48Å; R992-T994 VanDerWaalsContact O-N 3.14Å; R992-I995 PolarHBondContact O-N 2.79Å; R992-L996 HydrophobicContact CG-CD1 4.09Å; R992-L996 WeakPolarHBondContact O-CB 3.19Å; R992-L996 VanDerWaalsContact O-CG 3.26Å; R992-L996 WeakPolarHBondContact O-CG 3.41Å; R992-L996 PolarHBondContact O-N 3.04Å
993D80.9Confident72.7Confident58 Ų5871.1 Ų71.131%0.3136%0.356SS..Hα-helixtrans-66.8-18.9-175.5-68.1-7.4000112.3R924 T989 I991R924-D993 PolarHBondContact NH1-O 2.87Å; T989-D993 WeakPolarHBondContact O-CB 3.28Å; T989-D993 PolarHBondContact O-N 2.93Å; I991-D993 PolarHBondContact O-N 2.91Å
994T85.7Confident70.7Confident0 Ų068.5 Ų68.50%034%0.344CS..Hα-helixtrans-87.7-41.3176.7-56.90000112.3L917 K920 L921 R924 A990 I991 R992 L996 L997 F998L917-T994 HydrophobicContact CD1-CG2 4.05Å; K920-T994 HydrophobicContact CB-CG2 3.6Å; L921-T994 HydrophobicContact CD2-CG2 3.99Å; L921-T994 HydrophobicContact CG-CG2 4.15Å; R924-T994 VanDerWaalsContact CD-OG1 3.28Å; R924-T994 WeakPolarHBondContact CD-OG1 3.44Å; R924-T994 PolarHBondContact NH1-OG1 3.2Å; A990-T994 VanDerWaalsContact O-CB 3.24Å; A990-T994 WeakPolarHBondContact O-CB 3.35Å; A990-T994 PolarHBondContact O-N 2.97Å; A990-T994 PolarHBondContact O-OG1 2.84Å; I991-T994 PolarHBondContact O-N 3.13Å; I991-T994 VanDerWaalsContact O-N 3.11Å; R992-T994 PolarHBondContact O-N 3.48Å; R992-T994 VanDerWaalsContact O-N 3.14Å; T994-L996 PolarHBondContact O-N 3.48Å; T994-L997 WeakPolarHBondContact O-CB 3.39Å; T994-L997 PolarHBondContact O-N 3.26Å; T994-L997 VanDerWaalsContact O-N 3.14Å; T994-F998 VanDerWaalsContact O-CD2 3.25Å; T994-F998 WeakPolarHBondContact O-CD2 3.15Å; T994-F998 WeakPolarHBondContact O-CE2 3.26Å
995I81.4Confident68.5Low17 Ų1771.6 Ų71.69%0.08736%0.36CS..Hα-helixtrans-62.3-37.3170.8-72.2170.3000110.4I912 L917 I980 I991 R992 L997 F998I912-I995 HydrophobicContact CD1-CG2 4Å; L917-I995 HydrophobicContact CD1-CG1 3.88Å; L917-I995 HydrophobicContact CD2-CG1 4.23Å; I980-I995 HydrophobicContact CD1-CD1 3.61Å; I980-I995 HydrophobicContact CG1-CD1 4.04Å; I991-I995 HydrophobicContact CG2-CD1 3.7Å; I991-I995 HydrophobicContact CG2-CG1 4.43Å; I991-I995 PolarHBondContact O-N 3.29Å; R992-I995 PolarHBondContact O-N 2.79Å; I995-L997 PolarHBondContact O-N 2.99Å; I995-F998 WeakPolarHBondContact O-CB 3.46Å; I995-F998 PolarHBondContact O-N 3.37Å
996L74.3Confident66.4Low34 Ų3470.4 Ų70.418%0.17836%0.363CS..G310 helixtrans-59.5-25.5174.3-75.7176.2000114.2L902 R992 T994 F998 V999 H1001L902-L996 HydrophobicContact CD1-CD2 3.46Å; L902-L996 VanDerWaalsContact CD1-CD2 3.46Å; L902-L996 HydrophobicContact CD2-CD2 4.03Å; L902-L996 HydrophobicContact CG-CD2 4.41Å; R992-L996 HydrophobicContact CG-CD1 4.09Å; R992-L996 WeakPolarHBondContact O-CB 3.19Å; R992-L996 VanDerWaalsContact O-CG 3.26Å; R992-L996 WeakPolarHBondContact O-CG 3.41Å; R992-L996 PolarHBondContact O-N 3.04Å; T994-L996 PolarHBondContact O-N 3.48Å; L996-F998 PolarHBondContact O-N 2.67Å; L996-V999 PolarHBondContact O-N 2.74Å; L996-V999 VanDerWaalsContact O-N 3.17Å; L996-H1001 PolarHBondContact O-NE2 3.16Å
997L74.9Confident64.1Low88 Ų8868.9 Ų68.946%0.46135%0.35SS..G310 helixtrans-66.5-22173.9-65.7178.6000113.5K920 T994 I995 V999K920-L997 HydrophobicContact CD-CD1 4.43Å; T994-L997 WeakPolarHBondContact O-CB 3.39Å; T994-L997 PolarHBondContact O-N 3.26Å; T994-L997 VanDerWaalsContact O-N 3.14Å; I995-L997 PolarHBondContact O-N 2.99Å; L997-V999 VanDerWaalsContact C-N 3.33Å
998F71.4Confident61.3Low62 Ų6274.5 Ų74.527%0.27238%0.383SS..G310 helixtrans-88.2-3.9177.4-60.8-91.2000112.3I912 E916 L917 K920 T994 I995 L996I912-F998 HydrophobicContact CD1-CB 4.13Å; I912-F998 HydrophobicContact CD1-CG 4.47Å; I912-F998 HydrophobicContact CG1-CB 4.03Å; I912-F998 HydrophobicContact CG1-CG 4.33Å; I912-F998 HydrophobicContact CG2-CD1 4.05Å; I912-F998 HydrophobicContact CG2-CD2 4.21Å; I912-F998 HydrophobicContact CG2-CE1 4.19Å; I912-F998 HydrophobicContact CG2-CE2 4.36Å; I912-F998 HydrophobicContact CG2-CG 4.06Å; I912-F998 HydrophobicContact CG2-CZ 4.34Å; E916-F998 HydrophobicContact CB-CE1 4.3Å; E916-F998 HydrophobicContact CB-CZ 4.48Å; E916-F998 HydrophobicContact CG-CE1 3.85Å; E916-F998 HydrophobicContact CG-CZ 4Å; L917-F998 HydrophobicContact CB-CE2 4.44Å; L917-F998 HydrophobicContact CB-CZ 4.36Å; L917-F998 HydrophobicContact CD1-CD2 4.45Å; L917-F998 HydrophobicContact CD1-CE2 3.76Å; L917-F998 HydrophobicContact CD1-CZ 4.46Å; K920-F998 HydrophobicContact CB-CE2 4.45Å; K920-F998 HydrophobicContact CB-CZ 4.34Å; K920-F998 HydrophobicContact CG-CZ 4.06Å; T994-F998 VanDerWaalsContact O-CD2 3.25Å; T994-F998 WeakPolarHBondContact O-CD2 3.15Å; T994-F998 WeakPolarHBondContact O-CE2 3.26Å; I995-F998 WeakPolarHBondContact O-CB 3.46Å; I995-F998 PolarHBondContact O-N 3.37Å; L996-F998 PolarHBondContact O-N 2.67Å
999V60.8Low60.3Low33 Ų3371.7 Ų71.720%0.238%0.378CS..SBendtrans-104.3140.9176.2-174.60000109.1L902 L996 L997 H1001L902-V999 HydrophobicContact CB-CG1 4.39Å; L996-V999 PolarHBondContact O-N 2.74Å; L996-V999 VanDerWaalsContact O-N 3.17Å; L997-V999 VanDerWaalsContact C-N 3.33Å; V999-H1001 PolarHBondContact O-N 3.36Å; V999-H1001 VanDerWaalsContact O-N 3.12Å
1000H54Low59.2Low157 Ų15773.1 Ų73.173%0.72738%0.383SS*.EExtended strand (participates in β ladder)trans-70.9110.7177.2-80.5-65.8000111
1001H45.3Very low57.7Low102 Ų10275.9 Ų75.947%0.47239%0.394SS..EExtended strand (participates in β ladder)trans-71.7126.2174.5-72.4-50.6000112L996 V999L996-H1001 PolarHBondContact O-NE2 3.16Å; V999-H1001 PolarHBondContact O-N 3.36Å; V999-H1001 VanDerWaalsContact O-N 3.12Å
1002L40.5Very low56Low86 Ų8680.4 Ų80.445%0.4542%0.417SS..  trans-90.1113.2160-79.7160.6000108.5I759 V903I759-L1002 HydrophobicContact CD1-CD1 4.46Å; I759-L1002 HydrophobicContact CD1-CD2 3.71Å; I759-L1002 HydrophobicContact CG1-CD2 4.26Å; V903-L1002 HydrophobicContact CG2-CD1 3.88Å
1003D37.6Very low54.3Low98 Ų9877.4 Ų77.452%0.52441%0.414SS..  trans-87.3110.4175.2-168.7-14.4000110.2N1005 S1006D1003-N1005 PolarHBondContact O-N 3.46Å; D1003-N1005 PolarHBondContact OD1-N 3.23Å; D1003-N1005 PolarHBondContact OD1-ND2 3.08Å; D1003-N1005 VanDerWaalsContact OD1-ND2 3.14Å; D1003-S1006 WeakPolarHBondContact O-CB 3.49Å; D1003-S1006 PolarHBondContact O-N 3.24Å; D1003-S1006 PolarHBondContact O-OG 3.16Å
1004I35.5Very low52.5Low102 Ų10278.7 Ų78.752%0.52342%0.42SS..G310 helixtrans-58.9-26179.9-110.7167.8000112.3S1006 V1007I1004-S1006 PolarHBondContact O-N 3.28Å; I1004-V1007 WeakPolarHBondContact O-CA 2.82Å; I1004-V1007 WeakPolarHBondContact O-CB 3.12Å; I1004-V1007 PolarHBondContact O-N 3.08Å
1005N33.8Very low50.1Low128 Ų12884.4 Ų84.468%0.68445%0.45SS*.G310 helixtrans-79.42.4177.9-54.2-69.2000113.5D1003D1003-N1005 PolarHBondContact O-N 3.46Å; D1003-N1005 PolarHBondContact OD1-N 3.23Å; D1003-N1005 PolarHBondContact OD1-ND2 3.08Å; D1003-N1005 VanDerWaalsContact OD1-ND2 3.14Å
1006S33.9Very low47.7Very low72 Ų7289.5 Ų89.550%0.50348%0.478SS..G310 helixtrans-94.44.1163.270.90000113.3D1003 I1004D1003-S1006 WeakPolarHBondContact O-CB 3.49Å; D1003-S1006 PolarHBondContact O-N 3.24Å; D1003-S1006 PolarHBondContact O-OG 3.16Å; I1004-S1006 PolarHBondContact O-N 3.28Å
1007V32.4Very low45.5Very low54 Ų5494.2 Ų94.233%0.32750%0.503SS..  trans-125.131.4-175.1-158.20000110.5H755 I756 I1004H755-V1007 HydrophobicContact CB-CG1 4.24Å; H755-V1007 WeakPolarHBondContact CB-O 3.35Å; I756-V1007 HydrophobicContact CG1-CG1 3.93Å; I1004-V1007 WeakPolarHBondContact O-CA 2.82Å; I1004-V1007 WeakPolarHBondContact O-CB 3.12Å; I1004-V1007 PolarHBondContact O-N 3.08Å
1008V26.2Very low42.8Very low148 Ų14894.7 Ų94.790%0.89751%0.507SS*.  trans-134.50173.9-174.80000108.2H755H755-V1008 PolarHBondContact CD2-OXT 3.42Å

Retrieved 1,008 of 1,008 residues in 222.6 ms (Link to these results)

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