A0A077Z8S9_TRITR Loading...

Translationally-controlled tumor protein homolog

Involved in calcium binding and microtubule stabilization.

AlphaFold DB , UniProt , Accession A0A077Z8S9, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 177 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
1M85.9Confident91.5Very high112 Ų11234.1 Ų34.155%0.55219%0.192SC*.  0136.40-179.2174.6171.400106.9D16 T17 C177M1-D16 WeakPolarHBondContact CA-OD1 3.29Å; M1-D16 WeakPolarHBondContact CG-OD1 3.46Å; M1-T17 HydrophobicContact CE-CG2 3.96Å; M1-T17 HydrophobicContact CG-CG2 4.31Å; M1-T17 HydrophobicContact SD-CG2 4.26Å; M1-C177 PolarHBondContact N-O 3Å; M1-C177 PolarHBondContact O-N 3.17Å; M1-C177 VanDerWaalsContact O-O 3.14Å
2I91.2Very high91.5Very high46 Ų4638.3 Ų38.324%0.23621%0.209CC..EExtended strand (participates in β ladder)trans-104.7127.6174.8-55.3172.9000107.3Y4 S15 D16 E174 E175 K176I2-Y4 HydrophobicContact CG2-CE2 4.46Å; I2-S15 CarbonylContact O-C 3.56Å; I2-S15 WeakPolarHBondContact O-CA 3.37Å; I2-S15 WeakPolarHBondContact O-CB 3.35Å; I2-D16 HydrophobicContact CB-CB 3.98Å; I2-D16 PolarHBondContact N-OD1 3.32Å; I2-D16 PolarHBondContact O-N 3.31Å; I2-E174 HydrophobicContact CG2-CB 3.94Å; I2-E174 HydrophobicContact CG2-CG 4.43Å; I2-E175 CarbonylContact C-O 3.59Å; I2-E175 WeakPolarHBondContact CA-O 3.28Å; I2-K176 HydrophobicContact CG1-CG 4.49Å
3I92.4Very high91.5Very high19 Ų1935.6 Ų35.610%0.09719%0.194CC..EExtended strand (participates in β ladder)trans-104.1131.7175.8-54.5-178.3000107.8K5 E12 E175I3-K5 HydrophobicContact CG2-CG 4.09Å; I3-E12 WeakPolarHBondContact CD1-OE1 3.49Å; I3-E12 HydrophobicContact CG2-CB 3.99Å; I3-E12 HydrophobicContact CG2-CG 3.67Å; I3-E12 WeakPolarHBondContact CG2-OE1 3.3Å; I3-E175 PolarHBondContact N-O 3.01Å; I3-E175 PolarHBondContact O-N 3.2Å
4Y93.8Very high91.6Very high0 Ų033.1 Ų33.10%018%0.18CC..EExtended strand (participates in β ladder)trans-96.2102.2176.2-66.7-80.4000108.7I2 L13 C14 D16 M20 Y28 F30 L172 E174I2-Y4 HydrophobicContact CG2-CE2 4.46Å; Y4-L13 PolarHBondContact O-N 3.42Å; Y4-C14 HydrophobicContact CD2-CB 4.32Å; Y4-C14 PolarHBondContact N-O 3.26Å; Y4-C14 PolarHBondContact O-N 2.99Å; Y4-D16 HydrophobicContact CE2-CB 4.46Å; Y4-M20 WeakPolarHBondContact OH-CE 3.45Å; Y4-M20 PolarHBondContact OH-SD 2.91Å; Y4-M20 VanDerWaalsContact OH-SD 3.33Å; Y4-Y28 HydrophobicContact CD1-CD2 4.49Å; Y4-Y28 HydrophobicContact CD1-CE2 4.47Å; Y4-Y28 HydrophobicContact CE1-CD2 4.19Å; Y4-Y28 AromaticContact CE1-CE2 3.93Å; Y4-Y28 HydrophobicContact CE1-CE2 3.93Å; Y4-F30 HydrophobicContact CD1-CZ 4.34Å; Y4-F30 AromaticContact CD2-CE1 3.78Å; Y4-F30 HydrophobicContact CD2-CE1 3.78Å; Y4-F30 AromaticContact CD2-CZ 3.54Å; Y4-F30 HydrophobicContact CD2-CZ 3.54Å; Y4-F30 HydrophobicContact CE1-CZ 4.35Å; Y4-F30 AromaticContact CE2-CE1 3.57Å; Y4-F30 HydrophobicContact CE2-CE1 3.57Å; Y4-F30 AromaticContact CE2-CZ 3.58Å; Y4-F30 HydrophobicContact CE2-CZ 3.58Å; Y4-F30 AromaticContact CG-CZ 3.96Å; Y4-F30 HydrophobicContact CG-CZ 3.96Å; Y4-L172 HydrophobicContact CD1-CB 4.39Å; Y4-L172 HydrophobicContact CD1-CD1 4Å; Y4-L172 HydrophobicContact CG-CD1 4.37Å; Y4-E174 HydrophobicContact CD1-CG 3.93Å; Y4-E174 HydrophobicContact CE1-CG 3.63Å; Y4-E174 WeakPolarHBondContact CE1-OE1 3.45Å; Y4-E174 PolarHBondContact OH-OE1 3.29Å
5K93.1Very high91.6Very high46 Ų4631.1 Ų31.120%0.217%0.17CC..EExtended strand (participates in β ladder)trans-96.3144178-70179.5176.1176.70111I3 D11 E12 L172 V173 E175I3-K5 HydrophobicContact CG2-CG 4.09Å; K5-D11 CarbonylContact C-O 3.56Å; K5-D11 VanDerWaalsContact CA-O 3.24Å; K5-D11 WeakPolarHBondContact CA-O 3.18Å; K5-E12 HydrophobicContact CD-CG 4.39Å; K5-E12 WeakPolarHBondContact CE-OE1 3.48Å; K5-E12 HydrophobicContact CG-CG 3.95Å; K5-E12 IonicContact NZ-OE1 3.8Å; K5-L172 CarbonylContact O-C 3.45Å; K5-L172 VanDerWaalsContact O-CA 3.27Å; K5-L172 WeakPolarHBondContact O-CA 3.5Å; K5-V173 PolarHBondContact N-O 2.83Å; K5-V173 PolarHBondContact O-N 3.17Å; K5-E175 IonicContact NZ-OE1 3.4Å; K5-E175 PolarHBondContact NZ-OE1 3.09Å; K5-E175 IonicContact NZ-OE2 3.77Å
6D93.8Very high91.6Very high4 Ų433.4 Ų33.42%0.02118%0.182CC..EExtended strand (participates in β ladder)trans-65.9136.6171.1-174.8-98.6000110.9F8 S9 G10 D11 L13 G147 Q148D6-F8 PolarHBondContact O-N 2.67Å; D6-F8 VanDerWaalsContact OD1-CA 3.31Å; D6-F8 WeakPolarHBondContact OD1-CA 3.35Å; D6-F8 WeakPolarHBondContact OD1-CB 3.46Å; D6-F8 PolarHBondContact OD1-N 2.98Å; D6-S9 WeakPolarHBondContact CB-OG 3.42Å; D6-S9 PolarHBondContact OD1-N 3.25Å; D6-G10 VanDerWaalsContact O-CA 3.23Å; D6-G10 WeakPolarHBondContact O-CA 3.36Å; D6-G10 PolarHBondContact O-N 3.31Å; D6-D11 PolarHBondContact N-O 2.9Å; D6-L13 HydrophobicContact CB-CD1 3.99Å; D6-L13 HydrophobicContact CB-CG 4.32Å; D6-G147 WeakPolarHBondContact OD1-CA 3.16Å; D6-Q148 WeakPolarHBondContact OD2-CB 3.28Å; D6-Q148 PolarHBondContact OD2-N 2.88Å
7I92.8Very high91.5Very high24 Ų2436.5 Ų36.512%0.12320%0.202CC..THydrogen-bonded Turntrans-70-19.6-177.5-165.2167.2000114L97 R100 G171 V173I7-L97 HydrophobicContact CG2-CD1 4.18Å; I7-R100 HydrophobicContact CD1-CG 3.8Å; I7-R100 HydrophobicContact CG1-CG 4.33Å; I7-R100 PolarHBondContact O-NH1 3.15Å; I7-G171 WeakPolarHBondContact CB-O 3.46Å; I7-G171 WeakPolarHBondContact CG2-O 3.35Å; I7-G171 PolarHBondContact N-O 3.25Å; I7-V173 HydrophobicContact CB-CG2 4.04Å; I7-V173 HydrophobicContact CD1-CG2 4.42Å; I7-V173 HydrophobicContact CG1-CG2 3.89Å
8F92.5Very high91.5Very high36 Ų3635.3 Ų35.316%0.15820%0.195CC..THydrogen-bonded Turntrans-103.6-52.5-178.7-59.4-67.5000112.3D6 Y93 K96 L97 R100 E146D6-F8 PolarHBondContact O-N 2.67Å; D6-F8 VanDerWaalsContact OD1-CA 3.31Å; D6-F8 WeakPolarHBondContact OD1-CA 3.35Å; D6-F8 WeakPolarHBondContact OD1-CB 3.46Å; D6-F8 PolarHBondContact OD1-N 2.98Å; F8-Y93 AromaticContact CD2-CE2 3.69Å; F8-Y93 HydrophobicContact CD2-CE2 3.69Å; F8-Y93 HydrophobicContact CE2-CD2 4.39Å; F8-Y93 AromaticContact CE2-CE2 3.63Å; F8-Y93 HydrophobicContact CE2-CE2 3.63Å; F8-Y93 AromaticContact CE2-CZ 3.86Å; F8-K96 HydrophobicContact CD1-CD 4Å; F8-K96 VanDerWaalsContact CD1-CE 3.43Å; F8-K96 HydrophobicContact CD1-CG 4.36Å; F8-K96 HydrophobicContact CD2-CD 4.47Å; F8-K96 HydrophobicContact CE1-CD 3.78Å; F8-K96 HydrophobicContact CE1-CG 3.64Å; F8-K96 HydrophobicContact CE2-CD 4.26Å; F8-K96 HydrophobicContact CE2-CG 4.41Å; F8-K96 HydrophobicContact CG-CD 4.33Å; F8-K96 HydrophobicContact CZ-CB 4.17Å; F8-K96 HydrophobicContact CZ-CD 3.9Å; F8-K96 HydrophobicContact CZ-CG 3.66Å; F8-L97 HydrophobicContact CE2-CB 4.37Å; F8-L97 HydrophobicContact CE2-CD1 4.2Å; F8-L97 HydrophobicContact CZ-CB 4.32Å; F8-L97 HydrophobicContact CZ-CD1 4.25Å; F8-R100 HydrophobicContact CE1-CB 4.03Å; F8-R100 HydrophobicContact CE1-CG 4.26Å; F8-R100 HydrophobicContact CZ-CB 4.14Å; F8-E146 WeakPolarHBondContact CB-O 3.42Å
9S90.7Very high91.5Very high21 Ų2137.8 Ų37.815%0.14721%0.213CC..THydrogen-bonded Turntrans-84.5-22.1-178.178.40000113.2D6 D11 E143D6-S9 WeakPolarHBondContact CB-OG 3.42Å; D6-S9 PolarHBondContact OD1-N 3.25Å; S9-D11 WeakPolarHBondContact CB-OD2 3.41Å; S9-D11 PolarHBondContact O-N 3.41Å; S9-D11 WeakPolarHBondContact OG-CB 3.38Å; S9-D11 PolarHBondContact OG-N 3.36Å; S9-D11 PolarHBondContact OG-OD2 3.41Å; S9-E143 VanDerWaalsContact CB-O 3.26Å; S9-E143 WeakPolarHBondContact CB-O 3.39Å
10G89Confident91.5Very high44 Ų4440.7 Ų40.745%0.45423%0.225SC..  trans73.41.2-173.500000114.1D6D6-G10 VanDerWaalsContact O-CA 3.23Å; D6-G10 WeakPolarHBondContact O-CA 3.36Å; D6-G10 PolarHBondContact O-N 3.31Å
11D90.8Very high91.6Very high23 Ų2344.8 Ų44.812%0.12324%0.241CC..  trans-67.7144.3178.9-71.8-65.1000111.6K5 D6 S9 L13 G141K5-D11 CarbonylContact C-O 3.56Å; K5-D11 VanDerWaalsContact CA-O 3.24Å; K5-D11 WeakPolarHBondContact CA-O 3.18Å; D6-D11 PolarHBondContact N-O 2.9Å; S9-D11 WeakPolarHBondContact CB-OD2 3.41Å; S9-D11 PolarHBondContact O-N 3.41Å; S9-D11 WeakPolarHBondContact OG-CB 3.38Å; S9-D11 PolarHBondContact OG-N 3.36Å; S9-D11 PolarHBondContact OG-OD2 3.41Å; D11-L13 HydrophobicContact CB-CD2 4.48Å; D11-L13 PolarHBondContact O-N 2.97Å; D11-G141 VanDerWaalsContact OD1-CA 3.25Å; D11-G141 WeakPolarHBondContact OD1-CA 3.21Å; D11-G141 PolarHBondContact OD1-N 3.03Å
12E91.7Very high92Very high85 Ų8542.6 Ų42.640%0.39723%0.231SC..EExtended strand (participates in β ladder)trans-77.2115.1174-59.5-178.7139.900109.3I3 K5I3-E12 WeakPolarHBondContact CD1-OE1 3.49Å; I3-E12 HydrophobicContact CG2-CB 3.99Å; I3-E12 HydrophobicContact CG2-CG 3.67Å; I3-E12 WeakPolarHBondContact CG2-OE1 3.3Å; K5-E12 HydrophobicContact CD-CG 4.39Å; K5-E12 WeakPolarHBondContact CE-OE1 3.48Å; K5-E12 HydrophobicContact CG-CG 3.95Å; K5-E12 IonicContact NZ-OE1 3.8Å
13L92Very high91.9Very high3 Ų341.6 Ų41.62%0.01623%0.227CC..EExtended strand (participates in β ladder)trans-100.3-31.9-177.8-61.6-175000112.7Y4 D6 D11 L74 Q148 L167 L172Y4-L13 PolarHBondContact O-N 3.42Å; D6-L13 HydrophobicContact CB-CD1 3.99Å; D6-L13 HydrophobicContact CB-CG 4.32Å; D11-L13 HydrophobicContact CB-CD2 4.48Å; D11-L13 PolarHBondContact O-N 2.97Å; L13-L74 HydrophobicContact CD2-CD2 3.83Å; L13-Q148 HydrophobicContact CD1-CB 4.23Å; L13-L167 HydrophobicContact CB-CD1 3.85Å; L13-L167 HydrophobicContact CB-CD2 4.4Å; L13-L167 HydrophobicContact CD1-CD2 4.06Å; L13-L172 HydrophobicContact CB-CD2 4.5Å; L13-L172 HydrophobicContact CD1-CD2 3.94Å
14C92.5Very high91.7Very high0 Ų044.8 Ų44.80%024%0.244CC..EExtended strand (participates in β ladder)trans-159.1178.3177.6-149.80000112Y4 F30 H72 L167Y4-C14 HydrophobicContact CD2-CB 4.32Å; Y4-C14 PolarHBondContact N-O 3.26Å; Y4-C14 PolarHBondContact O-N 2.99Å; C14-F30 HydrophobicContact CB-CD1 4.31Å; C14-F30 HydrophobicContact CB-CD2 4.19Å; C14-F30 HydrophobicContact CB-CE1 4.23Å; C14-F30 HydrophobicContact CB-CE2 4.12Å; C14-F30 HydrophobicContact CB-CG 4.29Å; C14-F30 HydrophobicContact CB-CZ 4.15Å; C14-F30 VanDerWaalsContact SG-CD1 3.5Å; C14-F30 VanDerWaalsContact SG-CG 3.5Å; C14-H72 VanDerWaalsContact C-NE2 3.29Å; C14-H72 VanDerWaalsContact CA-NE2 3.35Å; C14-H72 WeakPolarHBondContact CA-NE2 3.4Å; C14-L167 HydrophobicContact CB-CD1 3.94Å
15S92.1Very high91.5Very high3 Ų348.4 Ų48.42%0.02126%0.264CS..EExtended strand (participates in β ladder)trans-141.4163171.258.90000112.1I2 T17 F18I2-S15 CarbonylContact O-C 3.56Å; I2-S15 WeakPolarHBondContact O-CA 3.37Å; I2-S15 WeakPolarHBondContact O-CB 3.35Å; S15-T17 PolarHBondContact O-N 3.41Å; S15-T17 VanDerWaalsContact O-N 3.08Å; S15-T17 PolarHBondContact OG-OG1 2.73Å; S15-F18 PolarHBondContact O-N 2.82Å
16D91.6Very high91.5Very high68 Ų6846.3 Ų46.336%0.36426%0.255SS..THydrogen-bonded Turntrans-67.8-1.6176.774.4-39.7000114.4M1 I2 Y4 F18M1-D16 WeakPolarHBondContact CA-OD1 3.29Å; M1-D16 WeakPolarHBondContact CG-OD1 3.46Å; I2-D16 HydrophobicContact CB-CB 3.98Å; I2-D16 PolarHBondContact N-OD1 3.32Å; I2-D16 PolarHBondContact O-N 3.31Å; Y4-D16 HydrophobicContact CE2-CB 4.46Å; D16-F18 PolarHBondContact O-N 2.74Å
17T90Very high91.5Very high87 Ų8746.2 Ų46.253%0.53425%0.254SS..THydrogen-bonded Turntrans-67.3-22.4172.963.40000112.2M1 S15M1-T17 HydrophobicContact CE-CG2 3.96Å; M1-T17 HydrophobicContact CG-CG2 4.31Å; M1-T17 HydrophobicContact SD-CG2 4.26Å; S15-T17 PolarHBondContact O-N 3.41Å; S15-T17 VanDerWaalsContact O-N 3.08Å; S15-T17 PolarHBondContact OG-OG1 2.73Å
18F90.7Very high91.7Very high15 Ų1546 Ų467%0.06625%0.252CS..SBendtrans-93.4139176.4-60.7-82.4000111.1S15 D16 M20 F30 D67 I68 H72S15-F18 PolarHBondContact O-N 2.82Å; D16-F18 PolarHBondContact O-N 2.74Å; F18-M20 PolarHBondContact O-N 2.83Å; F18-M20 VanDerWaalsContact O-N 3.13Å; F18-F30 HydrophobicContact CB-CB 4.4Å; F18-F30 HydrophobicContact CB-CD1 4.22Å; F18-D67 HydrophobicContact CE1-CB 4.29Å; F18-D67 WeakPolarHBondContact CE1-OD2 3.47Å; F18-I68 HydrophobicContact CD1-CD1 4.09Å; F18-I68 HydrophobicContact CD1-CG1 3.46Å; F18-I68 VanDerWaalsContact CD1-CG1 3.46Å; F18-I68 HydrophobicContact CD2-CG1 4.09Å; F18-I68 HydrophobicContact CE1-CB 4.42Å; F18-I68 HydrophobicContact CE1-CG1 3.46Å; F18-I68 VanDerWaalsContact CE1-CG1 3.46Å; F18-I68 HydrophobicContact CE2-CG1 4.12Å; F18-I68 HydrophobicContact CG-CD1 4.23Å; F18-I68 HydrophobicContact CG-CG1 3.77Å; F18-I68 HydrophobicContact CZ-CB 4.33Å; F18-I68 HydrophobicContact CZ-CG1 3.78Å; F18-H72 AromaticContact CE2-CE1 3.7Å
19P92.4Very high91.8Very high83 Ų8344.9 Ų44.954%0.53925%0.247SC..  trans-59.5120.1173.919.7-27.3000110.4I31P19-I31 WeakPolarHBondContact CD-O 3.31Å; P19-I31 HydrophobicContact CG-CB 4.12Å; P19-I31 WeakPolarHBondContact CG-O 3.46Å; P19-I31 PolarHBondContact O-N 3.25Å
20M91.8Very high92Very high94 Ų9443.9 Ų43.946%0.46324%0.241SC..EExtended strand (participates in β ladder)trans-112.7150.7-178.672.5160.4176.100113.1Y4 F18 Y28 E29 F30Y4-M20 WeakPolarHBondContact OH-CE 3.45Å; Y4-M20 PolarHBondContact OH-SD 2.91Å; Y4-M20 VanDerWaalsContact OH-SD 3.33Å; F18-M20 PolarHBondContact O-N 2.83Å; F18-M20 VanDerWaalsContact O-N 3.13Å; M20-Y28 HydrophobicContact SD-CD1 4.16Å; M20-Y28 HydrophobicContact SD-CE1 4.29Å; M20-E29 CarbonylContact C-O 3.53Å; M20-E29 VanDerWaalsContact CA-O 3.24Å; M20-E29 WeakPolarHBondContact CA-O 3.33Å; M20-F30 HydrophobicContact CB-CD1 3.63Å; M20-F30 HydrophobicContact CB-CE1 3.6Å; M20-F30 HydrophobicContact CB-CG 4.36Å; M20-F30 HydrophobicContact CB-CZ 4.3Å; M20-F30 HydrophobicContact CG-CE1 4.38Å; M20-F30 HydrophobicContact SD-CE1 4.2Å; M20-F30 HydrophobicContact SD-CZ 4.42Å
21K93.8Very high92.3Very high128 Ų12843.8 Ų43.856%0.55723%0.229SC*.EExtended strand (participates in β ladder)trans-132.4135.5171.8-176.2-178.9179.3-176.30110.1V23 E29K21-V23 HydrophobicContact CD-CG2 4.21Å; K21-V23 HydrophobicContact CG-CG2 4.21Å; K21-E29 HydrophobicContact CB-CB 4.49Å; K21-E29 PolarHBondContact N-O 2.94Å; K21-E29 PolarHBondContact O-N 2.76Å
22L92.9Very high92.3Very high65 Ų6542.8 Ų42.834%0.3422%0.224SC..EExtended strand (participates in β ladder)trans-87120.1170.9-177.858.2000109.9D25 Y28 K169L22-D25 WeakPolarHBondContact CD2-OD2 3.47Å; L22-Y28 HydrophobicContact CB-CD1 4.18Å; L22-Y28 HydrophobicContact CB-CE1 4.15Å; L22-Y28 HydrophobicContact CD1-CD1 3.78Å; L22-Y28 HydrophobicContact CD1-CE1 3.71Å; L22-Y28 HydrophobicContact CD2-CE1 4.46Å; L22-Y28 HydrophobicContact CG-CE1 4.32Å; L22-K169 HydrophobicContact CD1-CB 4.48Å; L22-K169 HydrophobicContact CD1-CD 3.81Å; L22-K169 HydrophobicContact CD2-CD 4.42Å
23V90.6Very high92.3Very high26 Ų2645.2 Ų45.216%0.15823%0.234CC..EExtended strand (participates in β ladder)trans-112.8133.6178.7179.30000110K21 D25 V26 V27 E29 Y121K21-V23 HydrophobicContact CD-CG2 4.21Å; K21-V23 HydrophobicContact CG-CG2 4.21Å; V23-D25 PolarHBondContact O-N 3.03Å; V23-V26 PolarHBondContact O-N 3Å; V23-V26 VanDerWaalsContact O-N 3.16Å; V23-V27 PolarHBondContact N-O 3Å; V23-V27 PolarHBondContact O-N 2.99Å; V23-E29 HydrophobicContact CB-CG 4.3Å; V23-E29 HydrophobicContact CG2-CG 3.72Å; V23-E29 WeakPolarHBondContact CG2-OE2 3.48Å; V23-Y121 HydrophobicContact CB-CE2 4.47Å; V23-Y121 HydrophobicContact CG1-CD2 4.39Å; V23-Y121 HydrophobicContact CG1-CE2 3.9Å
24N87.7Confident92.2Very high85 Ų8551.2 Ų51.246%0.45526%0.257SS..THydrogen-bonded Turntrans51.819.4-177-68.53000114.5V26 K117N24-V26 HydrophobicContact CB-CG2 3.89Å; N24-V26 PolarHBondContact O-N 2.66Å; N24-V26 VanDerWaalsContact O-N 3.1Å; N24-K117 WeakPolarHBondContact O-CD 3.24Å
25D89.5Confident92Very high76 Ų7653 Ų5341%0.40627%0.268SS..THydrogen-bonded Turntrans62.28.1-176-156.4-119.7000115.2L22 V23 K117 Q170L22-D25 WeakPolarHBondContact CD2-OD2 3.47Å; V23-D25 PolarHBondContact O-N 3.03Å; D25-K117 IonicContact OD1-NZ 3.27Å; D25-Q170 PolarHBondContact O-NE2 3.03Å
26V92.4Very high91.6Very high2 Ų256.9 Ų56.91%0.01229%0.291CS..THydrogen-bonded Turntrans-126-16.9-175.3-67.60000114.2V23 N24 F114 K117 I168 K169 Q170V23-V26 PolarHBondContact O-N 3Å; V23-V26 VanDerWaalsContact O-N 3.16Å; N24-V26 HydrophobicContact CB-CG2 3.89Å; N24-V26 PolarHBondContact O-N 2.66Å; N24-V26 VanDerWaalsContact O-N 3.1Å; V26-F114 HydrophobicContact CB-CD2 4.4Å; V26-F114 HydrophobicContact CB-CE2 4.41Å; V26-F114 HydrophobicContact CG1-CD2 3.75Å; V26-F114 HydrophobicContact CG1-CE2 4.25Å; V26-K117 HydrophobicContact CB-CB 4.44Å; V26-K117 HydrophobicContact CG1-CB 3.54Å; V26-K117 HydrophobicContact CG1-CD 3.99Å; V26-K117 HydrophobicContact CG1-CG 4.42Å; V26-K117 HydrophobicContact CG2-CB 4.02Å; V26-I168 CarbonylContact O-C 3.57Å; V26-I168 WeakPolarHBondContact O-CA 3.38Å; V26-I168 WeakPolarHBondContact O-CG2 3.44Å; V26-K169 PolarHBondContact O-N 2.8Å; V26-Q170 PolarHBondContact O-OE1 2.7Å
27V94.8Very high91Very high2 Ų258.4 Ų58.41%0.01229%0.292CS..EExtended strand (participates in β ladder)trans-130.5127.9-176.4171.20000110.5V23 E29 I118 Y121 M166 L167 I168V23-V27 PolarHBondContact N-O 3Å; V23-V27 PolarHBondContact O-N 2.99Å; V27-E29 HydrophobicContact CG1-CG 4.29Å; V27-I118 HydrophobicContact CG2-CD1 4.28Å; V27-Y121 HydrophobicContact CB-CE1 4.15Å; V27-Y121 HydrophobicContact CB-CE2 4.17Å; V27-Y121 HydrophobicContact CG1-CE1 3.94Å; V27-Y121 HydrophobicContact CG1-CE2 4.29Å; V27-Y121 HydrophobicContact CG2-CD1 3.67Å; V27-Y121 HydrophobicContact CG2-CD2 4.3Å; V27-Y121 HydrophobicContact CG2-CE1 3.64Å; V27-Y121 HydrophobicContact CG2-CE2 4.28Å; V27-Y121 HydrophobicContact CG2-CG 4Å; V27-M166 HydrophobicContact CG1-CB 3.98Å; V27-L167 CarbonylContact C-O 3.57Å; V27-L167 WeakPolarHBondContact CA-O 3.26Å; V27-I168 HydrophobicContact CG2-CG1 4.47Å
28Y95.3Very high90Very high19 Ų1960.7 Ų60.78%0.07530%0.295CS..EExtended strand (participates in β ladder)trans-85.4127.5165.1-68.5-48000109.7Y4 M20 L22 F30 M166 L167 K169 L172Y4-Y28 HydrophobicContact CD1-CD2 4.49Å; Y4-Y28 HydrophobicContact CD1-CE2 4.47Å; Y4-Y28 HydrophobicContact CE1-CD2 4.19Å; Y4-Y28 AromaticContact CE1-CE2 3.93Å; Y4-Y28 HydrophobicContact CE1-CE2 3.93Å; M20-Y28 HydrophobicContact SD-CD1 4.16Å; M20-Y28 HydrophobicContact SD-CE1 4.29Å; L22-Y28 HydrophobicContact CB-CD1 4.18Å; L22-Y28 HydrophobicContact CB-CE1 4.15Å; L22-Y28 HydrophobicContact CD1-CD1 3.78Å; L22-Y28 HydrophobicContact CD1-CE1 3.71Å; L22-Y28 HydrophobicContact CD2-CE1 4.46Å; L22-Y28 HydrophobicContact CG-CE1 4.32Å; Y28-F30 VanDerWaalsContact CB-CE2 3.47Å; Y28-F30 HydrophobicContact CG-CE2 4.4Å; Y28-F30 HydrophobicContact CG-CZ 4.42Å; Y28-M166 WeakPolarHBondContact O-CA 3.44Å; Y28-L167 PolarHBondContact N-O 3.1Å; Y28-L167 PolarHBondContact O-N 3.16Å; Y28-K169 HydrophobicContact CD2-CB 3.85Å; Y28-K169 HydrophobicContact CD2-CG 4.21Å; Y28-K169 HydrophobicContact CE1-CD 4.1Å; Y28-K169 HydrophobicContact CE1-CG 4.38Å; Y28-K169 HydrophobicContact CE2-CB 3.71Å; Y28-K169 HydrophobicContact CE2-CD 4.12Å; Y28-K169 HydrophobicContact CE2-CG 3.53Å; Y28-K169 HydrophobicContact CG-CB 4.35Å; Y28-K169 WeakPolarHBondContact OH-CE 3.31Å; Y28-L172 HydrophobicContact CD2-CD1 3.91Å
29E95.2Very high88.4Confident13 Ų1364.9 Ų64.96%0.06132%0.317CS..EExtended strand (participates in β ladder)trans-107113.5172.5-61-164.8148.300108.8M20 K21 V23 V27 Y121 R155 V164 L165 M166M20-E29 CarbonylContact C-O 3.53Å; M20-E29 VanDerWaalsContact CA-O 3.24Å; M20-E29 WeakPolarHBondContact CA-O 3.33Å; K21-E29 HydrophobicContact CB-CB 4.49Å; K21-E29 PolarHBondContact N-O 2.94Å; K21-E29 PolarHBondContact O-N 2.76Å; V23-E29 HydrophobicContact CB-CG 4.3Å; V23-E29 HydrophobicContact CG2-CG 3.72Å; V23-E29 WeakPolarHBondContact CG2-OE2 3.48Å; V27-E29 HydrophobicContact CG1-CG 4.29Å; E29-Y121 PolarHBondContact OE1-OH 2.94Å; E29-R155 IonicContact OE1-CZ 3.87Å; E29-R155 VanDerWaalsContact OE1-CZ 3.27Å; E29-R155 IonicContact OE1-NH1 2.7Å; E29-R155 PolarHBondContact OE1-NH1 3.06Å; E29-R155 IonicContact OE1-NH2 3.11Å; E29-R155 PolarHBondContact OE1-NH2 3.27Å; E29-R155 IonicContact OE2-CZ 2.81Å; E29-R155 IonicContact OE2-NH1 3.66Å; E29-R155 PolarHBondContact OE2-NH1 2.92Å; E29-R155 IonicContact OE2-NH2 3.95Å; E29-V164 HydrophobicContact CB-CG1 3.73Å; E29-V164 HydrophobicContact CG-CG1 4.28Å; E29-L165 CarbonylContact C-O 3.52Å; E29-L165 WeakPolarHBondContact CA-O 3.33Å; E29-M166 HydrophobicContact CG-CG 4.14Å
30F95Very high86.5Confident0 Ų064 Ų640%032%0.323CS..EExtended strand (participates in β ladder)trans-99.2123.5176.4-62.6-90.3000109.3Y4 C14 F18 M20 Y28 I68 V164 L165 L167Y4-F30 HydrophobicContact CD1-CZ 4.34Å; Y4-F30 AromaticContact CD2-CE1 3.78Å; Y4-F30 HydrophobicContact CD2-CE1 3.78Å; Y4-F30 AromaticContact CD2-CZ 3.54Å; Y4-F30 HydrophobicContact CD2-CZ 3.54Å; Y4-F30 HydrophobicContact CE1-CZ 4.35Å; Y4-F30 AromaticContact CE2-CE1 3.57Å; Y4-F30 HydrophobicContact CE2-CE1 3.57Å; Y4-F30 AromaticContact CE2-CZ 3.58Å; Y4-F30 HydrophobicContact CE2-CZ 3.58Å; Y4-F30 AromaticContact CG-CZ 3.96Å; Y4-F30 HydrophobicContact CG-CZ 3.96Å; C14-F30 HydrophobicContact CB-CD1 4.31Å; C14-F30 HydrophobicContact CB-CD2 4.19Å; C14-F30 HydrophobicContact CB-CE1 4.23Å; C14-F30 HydrophobicContact CB-CE2 4.12Å; C14-F30 HydrophobicContact CB-CG 4.29Å; C14-F30 HydrophobicContact CB-CZ 4.15Å; C14-F30 VanDerWaalsContact SG-CD1 3.5Å; C14-F30 VanDerWaalsContact SG-CG 3.5Å; F18-F30 HydrophobicContact CB-CB 4.4Å; F18-F30 HydrophobicContact CB-CD1 4.22Å; M20-F30 HydrophobicContact CB-CD1 3.63Å; M20-F30 HydrophobicContact CB-CE1 3.6Å; M20-F30 HydrophobicContact CB-CG 4.36Å; M20-F30 HydrophobicContact CB-CZ 4.3Å; M20-F30 HydrophobicContact CG-CE1 4.38Å; M20-F30 HydrophobicContact SD-CE1 4.2Å; M20-F30 HydrophobicContact SD-CZ 4.42Å; Y28-F30 VanDerWaalsContact CB-CE2 3.47Å; Y28-F30 HydrophobicContact CG-CE2 4.4Å; Y28-F30 HydrophobicContact CG-CZ 4.42Å; F30-I68 HydrophobicContact CB-CD1 3.9Å; F30-V164 CarbonylContact O-C 3.59Å; F30-V164 WeakPolarHBondContact O-CA 3.37Å; F30-L165 HydrophobicContact CB-CB 4.39Å; F30-L165 PolarHBondContact N-O 2.95Å; F30-L165 PolarHBondContact O-N 3.28Å; F30-L167 HydrophobicContact CD2-CD1 4.09Å; F30-L167 HydrophobicContact CD2-CG 4.48Å; F30-L167 HydrophobicContact CE2-CB 4.43Å; F30-L167 HydrophobicContact CE2-CD1 3.83Å; F30-L167 HydrophobicContact CE2-CG 4.41Å
31I94.8Very high84.3Confident42 Ų4266.4 Ų66.422%0.21534%0.337CS..EExtended strand (participates in β ladder)trans-92.1112.2179.9-53.6168.9000107.9P19 F157 K162 V164P19-I31 WeakPolarHBondContact CD-O 3.31Å; P19-I31 HydrophobicContact CG-CB 4.12Å; P19-I31 WeakPolarHBondContact CG-O 3.46Å; P19-I31 PolarHBondContact O-N 3.25Å; I31-F157 HydrophobicContact CD1-CE1 3.99Å; I31-F157 HydrophobicContact CD1-CZ 3.87Å; I31-F157 HydrophobicContact CG1-CZ 4.26Å; I31-K162 HydrophobicContact CG2-CB 3.99Å; I31-K162 HydrophobicContact CG2-CD 4.1Å; I31-V164 HydrophobicContact CG1-CG2 4.39Å
32G92.5Very high81.9Confident2 Ų266.9 Ų66.92%0.02134%0.344CS..  trans-95.1-168.517600000112.4D67 P163G32-D67 VanDerWaalsContact CA-OD1 3.22Å; G32-D67 WeakPolarHBondContact CA-OD1 3.23Å; G32-P163 PolarHBondContact N-O 3.47Å
33K91.6Very high79.3Confident136 Ų13671.4 Ų71.459%0.59136%0.363SS*.  trans-135.2141.8173.1-63.2179-175.4176.30109.5V35 V66 D67K33-V35 HydrophobicContact CB-CG1 4.13Å; K33-V35 PolarHBondContact O-N 3.33Å; K33-V66 WeakPolarHBondContact O-CA 3.11Å; K33-D67 VanDerWaalsContact N-CG 3.31Å; K33-D67 PolarHBondContact N-OD1 3.23Å; K33-D67 PolarHBondContact N-OD2 3.44Å; K33-D67 PolarHBondContact O-N 3.09Å
34Y88.7Confident77Confident129 Ų12976.5 Ų76.551%0.50639%0.389SS..EExtended strand (participates in β ladder)trans-73.4118.5167-163.9-89.3000108.5R64 V66 Y154Y34-R64 HydrophobicContact CE1-CB 4.24Å; Y34-V66 HydrophobicContact CD2-CG2 4.47Å; Y34-Y154 HydrophobicContact CD2-CE1 4.46Å
35V88.6Confident74.8Confident38 Ų3881.6 Ų81.623%0.2341%0.41CS..EExtended strand (participates in β ladder)trans-123.2153.1-176.4-62.50000110.9K33 R64 G65 D67 L70K33-V35 HydrophobicContact CB-CG1 4.13Å; K33-V35 PolarHBondContact O-N 3.33Å; V35-R64 WeakPolarHBondContact O-CA 3.33Å; V35-G65 WeakPolarHBondContact CG2-O 3.4Å; V35-G65 PolarHBondContact N-O 2.81Å; V35-G65 PolarHBondContact O-N 3.46Å; V35-G65 VanDerWaalsContact O-N 3.08Å; V35-G65 VanDerWaalsContact O-O 3.1Å; V35-D67 HydrophobicContact CG1-CB 4.07Å; V35-D67 HydrophobicContact CG2-CB 3.83Å; V35-L70 HydrophobicContact CG2-CD1 3.9Å
36T83.8Confident72.6Confident84 Ų8481.6 Ų81.652%0.51543%0.429SS..EExtended strand (participates in β ladder)trans-120.1114.2174.7-65.10000107V62 R64T36-V62 HydrophobicContact CG2-CG1 3.17Å; T36-R64 HydrophobicContact CG2-CG 3.99Å
37R78.1Confident70.2Confident100 Ų10085.5 Ų85.538%0.37746%0.461SS..EExtended strand (participates in β ladder)trans-107136.3178.8-66.5-175.8174.8171.82.3109.5V62 E63 N71R37-V62 CarbonylContact O-C 3.49Å; R37-V62 WeakPolarHBondContact O-CA 3.39Å; R37-E63 PolarHBondContact N-O 3.38Å; R37-E63 PolarHBondContact O-N 3.13Å; R37-N71 PolarHBondContact NH1-OD1 2.84Å; R37-N71 PolarHBondContact NH2-OD1 2.8Å
38K69.4Low67.9Low136 Ų13692.4 Ų92.459%0.59150%0.498SS*.EExtended strand (participates in β ladder)trans-85.4114.6168.4-66.9-172.1172.2-154.10107.7G40 E60K38-G40 PolarHBondContact O-N 2.81Å; K38-E60 WeakPolarHBondContact CD-OE1 3.41Å; K38-E60 WeakPolarHBondContact CE-OE1 3.22Å; K38-E60 IonicContact NZ-OE1 3.64Å; K38-E60 PolarHBondContact NZ-OE1 2.98Å; K38-E60 IonicContact NZ-OE2 2.73Å
39I57.7Low65.4Low103 Ų10397.2 Ų97.253%0.52853%0.531SS..THydrogen-bonded Turntrans-76.599.6169.1-58.5168.8000105.7A61 E63I39-A61 HydrophobicContact CB-CB 4.17Å; I39-A61 VanDerWaalsContact CB-O 3.28Å; I39-A61 WeakPolarHBondContact CB-O 3.27Å; I39-A61 HydrophobicContact CD1-CB 4.46Å; I39-A61 PolarHBondContact N-O 3.33Å; I39-E63 HydrophobicContact CD1-CB 3.76Å; I39-E63 HydrophobicContact CD1-CG 4.44Å; I39-E63 HydrophobicContact CG1-CB 3.98Å
40G51.6Low63.1Low64 Ų64102 Ų10266%0.6657%0.566SS**THydrogen-bonded Turntrans164.9-12.2179.700000118.3K38 I42K38-G40 PolarHBondContact O-N 2.81Å; G40-I42 PolarHBondContact O-N 2.79Å
41D45.5Very low60.6Low145 Ų145106.9 Ų106.978%0.77561%0.606SS**  trans-83.658.8173.9-139.5-77000110.8
42I43.3Very low57.8Low137 Ų137113.8 Ų113.870%0.70364%0.638SS**  trans-98.891.8158.3-51.3177.1000104.6G40 L44G40-I42 PolarHBondContact O-N 2.79Å; I42-L44 HydrophobicContact CG2-CD1 4.4Å; I42-L44 HydrophobicContact CG2-CG 3.92Å; I42-L44 PolarHBondContact O-N 2.85Å
43H40.2Very low55.3Low160 Ų160122.5 Ų122.574%0.74168%0.678SS**  trans-61.785.3159.4-111.892.6000107.4E45H43-E45 PolarHBondContact O-N 3.21Å
44L42.2Very low52.8Low133 Ų133124.5 Ų124.570%0.69669%0.691SS**  trans-67.886.1162.4-87.2154.4000106.5I42 G46I42-L44 HydrophobicContact CG2-CD1 4.4Å; I42-L44 HydrophobicContact CG2-CG 3.92Å; I42-L44 PolarHBondContact O-N 2.85Å; L44-G46 PolarHBondContact O-N 3.02Å
45E39.8Very low50.4Low192 Ų192124.3 Ų124.390%0.89770%0.699SS**THydrogen-bonded Turntrans-56.985.7164.8-72.3-173.582.900108.6H43H43-E45 PolarHBondContact O-N 3.21Å
46G45.1Very low47.9Very low77 Ų77130.8 Ų130.879%0.79473%0.727SS**THydrogen-bonded Turntrans149.8-2.2175.800000118.2L44 N48L44-G46 PolarHBondContact O-N 3.02Å; G46-N48 PolarHBondContact O-N 3.37Å
47A41.7Very low45.8Very low83 Ų83130.5 Ų130.569%0.68674%0.74SS**  trans-86105.217800000112.2
48N45.5Very low44.1Very low148 Ų148132.4 Ų132.479%0.79176%0.763SS**  trans-24.7123.4176.8-155.916.9000118.7G46 S50G46-N48 PolarHBondContact O-N 3.37Å; N48-S50 PolarHBondContact O-N 3.32Å
49P42.2Very low43Very low120 Ų120133.4 Ų133.478%0.77978%0.775SS**  trans-9079.2-179.834.2-31.7000112.9
50S47.4Very low42.8Very low112 Ų112134.2 Ų134.278%0.78378%0.777SS**  trans-162.386.7169-92.20000112.4N48N48-S50 PolarHBondContact O-N 3.32Å
51A42.5Very low43Very low103 Ų103133.7 Ų133.785%0.85177%0.767SS**  trans-163.3122.5150.200000108.6
52E36.6Very low44Very low188 Ų188129.5 Ų129.588%0.87975%0.746SS**  trans-75.4151.5-172.7-62.8172.588.700113.3
53E40.8Very low45.6Very low185 Ų185127 Ų12786%0.86473%0.731SS**  trans12.6116.5160.1-59.9-172.289.400120.7
54M37.3Very low47.7Very low177 Ų177127.2 Ų127.287%0.87273%0.726SS**  -166.3120.1129.8-111.5-178.789.300111.4
55D40.2Very low49.9Very low125 Ų125121.5 Ų121.567%0.66870%0.699SS**  70.7111.8128.6-141.3-122.6000121.5
56E35.3Very low52.4Low175 Ų175112.6 Ų112.682%0.81866%0.657SS**SBendtrans39.3112.1140.2-69.6-176.959.100120.7
57G39.7Very low54.6Low77 Ų77109.9 Ų109.979%0.79463%0.625SS**  trans85.358.2146.600000116.1D59G57-D59 PolarHBondContact O-N 3.08Å; G57-D59 VanDerWaalsContact O-N 3.09Å
58T42.3Very low57.1Low140 Ų140106 Ų10686%0.85959%0.592SS**  trans-72.5103.6162.3-240000107.7E60T58-E60 VanDerWaalsContact C-N 3.33Å; T58-E60 PolarHBondContact O-N 3.35Å
59D45.2Very low59.3Low158 Ų15899.6 Ų99.685%0.84556%0.558SS**  trans-53.798.3172-144.1-96.4000107.4G57 A61G57-D59 PolarHBondContact O-N 3.08Å; G57-D59 VanDerWaalsContact O-N 3.09Å; D59-A61 PolarHBondContact O-N 3.23Å
60E53.5Low61.5Low119 Ų11995.4 Ų95.456%0.55653%0.529SS*.  trans-54.4115.9178.3-72.418078.500106.5K38 T58 V62K38-E60 WeakPolarHBondContact CD-OE1 3.41Å; K38-E60 WeakPolarHBondContact CE-OE1 3.22Å; K38-E60 IonicContact NZ-OE1 3.64Å; K38-E60 PolarHBondContact NZ-OE1 2.98Å; K38-E60 IonicContact NZ-OE2 2.73Å; T58-E60 VanDerWaalsContact C-N 3.33Å; T58-E60 PolarHBondContact O-N 3.35Å; E60-V62 VanDerWaalsContact C-N 3.3Å; E60-V62 HydrophobicContact CB-CG2 4.42Å; E60-V62 WeakPolarHBondContact O-CG2 3.32Å; E60-V62 PolarHBondContact O-N 3.14Å
61A57.3Low63.5Low54 Ų5493.8 Ų93.845%0.44651%0.512SS..  trans-67.593.1-17900000108.7I39 D59I39-A61 HydrophobicContact CB-CB 4.17Å; I39-A61 VanDerWaalsContact CB-O 3.28Å; I39-A61 WeakPolarHBondContact CB-O 3.27Å; I39-A61 HydrophobicContact CD1-CB 4.46Å; I39-A61 PolarHBondContact N-O 3.33Å; D59-A61 PolarHBondContact O-N 3.23Å
62V66.7Low65.8Low57 Ų5790.1 Ų90.135%0.34548%0.477SS..EExtended strand (participates in β ladder)trans-88.8114.2179.5-179.30000108.4T36 R37 E60 R64T36-V62 HydrophobicContact CG2-CG1 3.17Å; R37-V62 CarbonylContact O-C 3.49Å; R37-V62 WeakPolarHBondContact O-CA 3.39Å; E60-V62 VanDerWaalsContact C-N 3.3Å; E60-V62 HydrophobicContact CB-CG2 4.42Å; E60-V62 WeakPolarHBondContact O-CG2 3.32Å; E60-V62 PolarHBondContact O-N 3.14Å; V62-R64 HydrophobicContact CG1-CG 3.84Å
63E76.9Confident68.3Low83 Ų8388.2 Ų88.239%0.38847%0.468SS..EExtended strand (participates in β ladder)trans-88.5119.9171-162.5170.373.800109.5R37 I39 L70R37-E63 PolarHBondContact N-O 3.38Å; R37-E63 PolarHBondContact O-N 3.13Å; I39-E63 HydrophobicContact CD1-CB 3.76Å; I39-E63 HydrophobicContact CD1-CG 4.44Å; I39-E63 HydrophobicContact CG1-CB 3.98Å; E63-L70 HydrophobicContact CG-CD1 4.47Å; E63-L70 HydrophobicContact CG-CD2 3.82Å
64R84.5Confident70.8Confident166 Ų16680 Ų8063%0.62643%0.43SS*.EExtended strand (participates in β ladder)trans-115.7135.3178.2-58.1-174.5-177.4176.32.1109.2Y34 V35 T36 V62Y34-R64 HydrophobicContact CE1-CB 4.24Å; V35-R64 WeakPolarHBondContact O-CA 3.33Å; T36-R64 HydrophobicContact CG2-CG 3.99Å; V62-R64 HydrophobicContact CG1-CG 3.84Å
65G87.5Confident73.4Confident13 Ų1375 Ų7513%0.13441%0.409CS..EExtended strand (participates in β ladder)trans171.8-178.2178.300000111.9V35V35-G65 WeakPolarHBondContact CG2-O 3.4Å; V35-G65 PolarHBondContact N-O 2.81Å; V35-G65 PolarHBondContact O-N 3.46Å; V35-G65 VanDerWaalsContact O-N 3.08Å; V35-G65 VanDerWaalsContact O-O 3.1Å
66V91.8Very high75.9Confident4 Ų472.2 Ų72.22%0.02440%0.399CS..EExtended strand (participates in β ladder)trans-74.4129.4173.8176.70000108.7K33 Y34 I68 I69 L70 L152 Y154 P163K33-V66 WeakPolarHBondContact O-CA 3.11Å; Y34-V66 HydrophobicContact CD2-CG2 4.47Å; V66-I68 HydrophobicContact CG1-CB 4.2Å; V66-I68 HydrophobicContact CG1-CG1 4.45Å; V66-I68 PolarHBondContact O-N 3.3Å; V66-I69 HydrophobicContact CB-CB 4.28Å; V66-I69 HydrophobicContact CB-CG1 3.81Å; V66-I69 HydrophobicContact CG1-CG1 4.23Å; V66-I69 WeakPolarHBondContact O-CB 3.49Å; V66-I69 PolarHBondContact O-N 2.92Å; V66-L70 WeakPolarHBondContact O-CG 3.31Å; V66-L70 PolarHBondContact O-N 3.47Å; V66-L152 HydrophobicContact CB-CD1 4.24Å; V66-L152 HydrophobicContact CG1-CD1 4.07Å; V66-L152 HydrophobicContact CG2-CD1 4Å; V66-L152 HydrophobicContact CG2-CD2 4.37Å; V66-Y154 WeakPolarHBondContact CG2-OH 3.32Å; V66-P163 HydrophobicContact CB-CB 4.26Å; V66-P163 HydrophobicContact CB-CG 4.16Å; V66-P163 HydrophobicContact CG1-CB 3.75Å; V66-P163 HydrophobicContact CG1-CG 3.51Å; V66-P163 HydrophobicContact CG2-CB 3.5Å; V66-P163 HydrophobicContact CG2-CG 3.69Å
67D92.3Very high78.6Confident21 Ų2166.5 Ų66.511%0.11237%0.373CS..Hα-helixtrans-51.9-38.8-179.857.7-8.3000113.9F18 G32 K33 V35 N71F18-D67 HydrophobicContact CE1-CB 4.29Å; F18-D67 WeakPolarHBondContact CE1-OD2 3.47Å; G32-D67 VanDerWaalsContact CA-OD1 3.22Å; G32-D67 WeakPolarHBondContact CA-OD1 3.23Å; K33-D67 VanDerWaalsContact N-CG 3.31Å; K33-D67 PolarHBondContact N-OD1 3.23Å; K33-D67 PolarHBondContact N-OD2 3.44Å; K33-D67 PolarHBondContact O-N 3.09Å; V35-D67 HydrophobicContact CG1-CB 4.07Å; V35-D67 HydrophobicContact CG2-CB 3.83Å; D67-N71 WeakPolarHBondContact O-CB 3.24Å; D67-N71 PolarHBondContact O-N 3.3Å; D67-N71 PolarHBondContact O-OD1 3.2Å
68I93.1Very high80.9Confident0 Ų067.8 Ų67.80%036%0.362CS..Hα-helixtrans-61.1-46.8175.1-56167.8000110.9F18 F30 V66 H72 L165F18-I68 HydrophobicContact CD1-CD1 4.09Å; F18-I68 HydrophobicContact CD1-CG1 3.46Å; F18-I68 VanDerWaalsContact CD1-CG1 3.46Å; F18-I68 HydrophobicContact CD2-CG1 4.09Å; F18-I68 HydrophobicContact CE1-CB 4.42Å; F18-I68 HydrophobicContact CE1-CG1 3.46Å; F18-I68 VanDerWaalsContact CE1-CG1 3.46Å; F18-I68 HydrophobicContact CE2-CG1 4.12Å; F18-I68 HydrophobicContact CG-CD1 4.23Å; F18-I68 HydrophobicContact CG-CG1 3.77Å; F18-I68 HydrophobicContact CZ-CB 4.33Å; F18-I68 HydrophobicContact CZ-CG1 3.78Å; F30-I68 HydrophobicContact CB-CD1 3.9Å; V66-I68 HydrophobicContact CG1-CB 4.2Å; V66-I68 HydrophobicContact CG1-CG1 4.45Å; V66-I68 PolarHBondContact O-N 3.3Å; I68-H72 PolarHBondContact O-N 3.11Å; I68-H72 PolarHBondContact O-ND1 2.8Å; I68-L165 HydrophobicContact CD1-CB 4.09Å; I68-L165 HydrophobicContact CG2-CD2 3.55Å
69I91.9Very high83.2Confident15 Ų1564.9 Ų64.98%0.07734%0.344CS..Hα-helixtrans-65.8-45.6-178.7-57-53.1000110V66 Q73 L74 Y137 L152 L165V66-I69 HydrophobicContact CB-CB 4.28Å; V66-I69 HydrophobicContact CB-CG1 3.81Å; V66-I69 HydrophobicContact CG1-CG1 4.23Å; V66-I69 WeakPolarHBondContact O-CB 3.49Å; V66-I69 PolarHBondContact O-N 2.92Å; I69-Q73 WeakPolarHBondContact O-CA 3.46Å; I69-Q73 PolarHBondContact O-N 2.88Å; I69-L74 HydrophobicContact CD1-CB 4.13Å; I69-L74 HydrophobicContact CD1-CD1 3.63Å; I69-L74 HydrophobicContact CD1-CG 4.41Å; I69-L74 HydrophobicContact CG2-CB 4.12Å; I69-L74 PolarHBondContact O-N 2.84Å; I69-Y137 HydrophobicContact CB-CE1 4.44Å; I69-Y137 HydrophobicContact CD1-CD1 3.81Å; I69-Y137 HydrophobicContact CD1-CD2 3.67Å; I69-Y137 HydrophobicContact CD1-CE1 4.06Å; I69-Y137 HydrophobicContact CD1-CE2 3.9Å; I69-Y137 HydrophobicContact CD1-CG 3.61Å; I69-Y137 HydrophobicContact CG1-CD1 4.29Å; I69-Y137 HydrophobicContact CG1-CD2 4.43Å; I69-Y137 HydrophobicContact CG1-CE1 4.05Å; I69-Y137 HydrophobicContact CG1-CE2 4.18Å; I69-Y137 HydrophobicContact CG1-CG 4.48Å; I69-Y137 HydrophobicContact CG2-CD1 3.83Å; I69-Y137 HydrophobicContact CG2-CE1 3.53Å; I69-L152 HydrophobicContact CD1-CD1 3.93Å; I69-L152 HydrophobicContact CG1-CD1 3.94Å; I69-L165 HydrophobicContact CD1-CD1 4.44Å
70L89.8Confident85.3Confident31 Ų3158.9 Ų58.916%0.16231%0.31CS..Hα-helixtrans-66.7-40.8-179.8-62.6179.9000112.1V35 E63 V66 Q73V35-L70 HydrophobicContact CG2-CD1 3.9Å; E63-L70 HydrophobicContact CG-CD1 4.47Å; E63-L70 HydrophobicContact CG-CD2 3.82Å; V66-L70 WeakPolarHBondContact O-CG 3.31Å; V66-L70 PolarHBondContact O-N 3.47Å; L70-Q73 PolarHBondContact O-N 3.31Å
71N89.2Confident87Confident79 Ų7957.9 Ų57.942%0.42231%0.305SS..Hα-helixtrans-68-35.6-178.2-77.2-4.5000113.3R37 D67R37-N71 PolarHBondContact NH1-OD1 2.84Å; R37-N71 PolarHBondContact NH2-OD1 2.8Å; D67-N71 WeakPolarHBondContact O-CB 3.24Å; D67-N71 PolarHBondContact O-N 3.3Å; D67-N71 PolarHBondContact O-OD1 3.2Å
72H89.8Confident88.6Confident26 Ų2659 Ų5912%0.1230%0.304CS..THydrogen-bonded Turntrans-102.98.2-179.1-52.188.1000112.2C14 F18 I68 L74C14-H72 VanDerWaalsContact C-NE2 3.29Å; C14-H72 VanDerWaalsContact CA-NE2 3.35Å; C14-H72 WeakPolarHBondContact CA-NE2 3.4Å; F18-H72 AromaticContact CE2-CE1 3.7Å; I68-H72 PolarHBondContact O-N 3.11Å; I68-H72 PolarHBondContact O-ND1 2.8Å; H72-L74 HydrophobicContact CB-CD2 4.05Å; H72-L74 HydrophobicContact CB-CG 3.98Å; H72-L74 PolarHBondContact O-N 2.77Å; H72-L74 VanDerWaalsContact O-N 3.15Å
73Q89.9Confident89.6Confident147 Ų14758.8 Ų58.869%0.68730%0.302SS*.THydrogen-bonded Turntrans5039.3179.9-54.8-172.2-90.700113.3I69 L70 P140I69-Q73 WeakPolarHBondContact O-CA 3.46Å; I69-Q73 PolarHBondContact O-N 2.88Å; L70-Q73 PolarHBondContact O-N 3.31Å; Q73-P140 HydrophobicContact CB-CB 4.41Å
74L92.8Very high90.3Very high14 Ų1461.9 Ų61.97%0.07331%0.314CS..PPolyproline II helixtrans-67.7140.5-176.3-58.1178.4000110.9L13 I69 H72 Y137 T138 L165L13-L74 HydrophobicContact CD2-CD2 3.83Å; I69-L74 HydrophobicContact CD1-CB 4.13Å; I69-L74 HydrophobicContact CD1-CD1 3.63Å; I69-L74 HydrophobicContact CD1-CG 4.41Å; I69-L74 HydrophobicContact CG2-CB 4.12Å; I69-L74 PolarHBondContact O-N 2.84Å; H72-L74 HydrophobicContact CB-CD2 4.05Å; H72-L74 HydrophobicContact CB-CG 3.98Å; H72-L74 PolarHBondContact O-N 2.77Å; H72-L74 VanDerWaalsContact O-N 3.15Å; L74-Y137 HydrophobicContact CB-CD1 4.21Å; L74-Y137 HydrophobicContact CB-CG 4.48Å; L74-T138 CarbonylContact C-O 3.51Å; L74-T138 WeakPolarHBondContact CA-O 3.18Å; L74-L165 HydrophobicContact CD1-CD2 4.26Å
75V92.2Very high90.7Very high70 Ų7057.2 Ų57.242%0.42430%0.301SS..EExtended strand (participates in β ladder)trans-97.9126.2-173-177.20000109.9Y137 T138V75-Y137 CarbonylContact O-C 3.56Å; V75-Y137 VanDerWaalsContact O-CA 3.25Å; V75-Y137 WeakPolarHBondContact O-CA 3.43Å; V75-T138 HydrophobicContact CB-CG2 4.11Å; V75-T138 PolarHBondContact N-O 2.84Å; V75-T138 PolarHBondContact O-N 3.34Å
76S92.2Very high90.9Very high67 Ų6756.6 Ų56.647%0.46930%0.295SS..EExtended strand (participates in β ladder)trans-68.7130.4178.662.40000111.9F136S76-F136 CarbonylContact C-O 3.5Å; S76-F136 WeakPolarHBondContact CA-O 3.38Å
77M91.3Very high90.8Very high55 Ų5560.8 Ų60.827%0.27131%0.313SS..  trans-120.473.9-176.4-66.4-68-103.100111.3V79 Y80 F136 T138 L149M77-V79 PolarHBondContact O-N 2.89Å; M77-Y80 HydrophobicContact CB-CD2 3.65Å; M77-Y80 HydrophobicContact CB-CE2 3.89Å; M77-Y80 HydrophobicContact CE-CE2 4.31Å; M77-Y80 HydrophobicContact CG-CE2 4.42Å; M77-Y80 PolarHBondContact O-N 3.43Å; M77-F136 HydrophobicContact CB-CB 4.46Å; M77-F136 PolarHBondContact N-O 3.47Å; M77-T138 HydrophobicContact CE-CG2 3.97Å; M77-T138 HydrophobicContact CG-CG2 3.62Å; M77-T138 HydrophobicContact SD-CG2 3.98Å; M77-L149 HydrophobicContact CB-CD1 4.18Å; M77-L149 HydrophobicContact CG-CD1 4.42Å
78N89.6Confident90.9Very high104 Ų10465.7 Ų65.756%0.55634%0.335SS*.G310 helixtrans-63.3-16.9-174.8-601.4000113.8Y80 Q81N78-Y80 PolarHBondContact O-N 2.91Å; N78-Q81 WeakPolarHBondContact O-CB 3.46Å; N78-Q81 PolarHBondContact O-N 2.83Å
79V90.4Very high90.9Very high80 Ų8067.1 Ų67.149%0.48534%0.34SS..G310 helixtrans-57.2-29.9176.569.90000112.7M77 Q81 D82 I85M77-V79 PolarHBondContact O-N 2.89Å; V79-Q81 VanDerWaalsContact C-N 3.26Å; V79-Q81 PolarHBondContact O-N 3Å; V79-D82 PolarHBondContact O-N 3.33Å; V79-I85 HydrophobicContact CG2-CD1 3.77Å; V79-I85 HydrophobicContact CG2-CG2 4.37Å
80Y89.6Confident90.9Very high32 Ų3267.2 Ų67.213%0.12534%0.342CS..G310 helixtrans-81-2.6179.9-62.2-69.3000113.7M77 N78 D82 I85 W89 F131 F136 L149M77-Y80 HydrophobicContact CB-CD2 3.65Å; M77-Y80 HydrophobicContact CB-CE2 3.89Å; M77-Y80 HydrophobicContact CE-CE2 4.31Å; M77-Y80 HydrophobicContact CG-CE2 4.42Å; M77-Y80 PolarHBondContact O-N 3.43Å; N78-Y80 PolarHBondContact O-N 2.91Å; Y80-D82 PolarHBondContact O-N 2.98Å; Y80-I85 HydrophobicContact CD1-CG2 3.89Å; Y80-I85 HydrophobicContact CE1-CG2 4.02Å; Y80-W89 HydrophobicContact CD1-CB 4.16Å; Y80-W89 HydrophobicContact CD1-CG 4.39Å; Y80-W89 HydrophobicContact CE1-CB 3.65Å; Y80-W89 AromaticContact CE1-CD1 3.88Å; Y80-W89 AromaticContact CE1-CG 3.74Å; Y80-W89 HydrophobicContact CE1-CG 3.74Å; Y80-W89 AromaticContact CZ-CD1 3.98Å; Y80-F131 WeakPolarHBondContact O-CZ 3.18Å; Y80-F136 VanDerWaalsContact C-CE2 3.47Å; Y80-F136 HydrophobicContact CD2-CB 4.38Å; Y80-F136 WeakPolarHBondContact O-CE2 3.24Å; Y80-L149 HydrophobicContact CD1-CD2 4.05Å; Y80-L149 HydrophobicContact CD2-CD1 3.49Å; Y80-L149 VanDerWaalsContact CD2-CD1 3.49Å; Y80-L149 HydrophobicContact CD2-CD2 3.51Å; Y80-L149 HydrophobicContact CD2-CG 4.16Å; Y80-L149 HydrophobicContact CE2-CD1 3.49Å; Y80-L149 VanDerWaalsContact CE2-CD1 3.49Å; Y80-L149 HydrophobicContact CE2-CD2 4.04Å; Y80-L149 HydrophobicContact CE2-CG 4.42Å; Y80-L149 HydrophobicContact CG-CD1 4.36Å; Y80-L149 HydrophobicContact CG-CD2 3.5Å
81Q88.8Confident91Very high97 Ų9773.2 Ų73.245%0.45337%0.366SS..G310 helixtrans-68.8-11.1167.1-65.2-172.4-4800112.5N78 V79 F131 L134 F136N78-Q81 WeakPolarHBondContact O-CB 3.46Å; N78-Q81 PolarHBondContact O-N 2.83Å; V79-Q81 VanDerWaalsContact C-N 3.26Å; V79-Q81 PolarHBondContact O-N 3Å; Q81-F131 WeakPolarHBondContact O-CE1 3.05Å; Q81-L134 PolarHBondContact NE2-O 3.49Å; Q81-F136 HydrophobicContact CG-CD2 4.08Å; Q81-F136 HydrophobicContact CG-CE2 4.16Å
82D90.7Very high91.2Very high79 Ų7976.2 Ų76.242%0.42238%0.378SS..SBendtrans-80.2116.8163.1-168.6-59.3000110.1V79 Y80 K84 I85 F86V79-D82 PolarHBondContact O-N 3.33Å; Y80-D82 PolarHBondContact O-N 2.98Å; D82-K84 PolarHBondContact O-N 2.75Å; D82-K84 VanDerWaalsContact O-N 3.12Å; D82-K84 WeakPolarHBondContact OD1-CA 3.19Å; D82-K84 VanDerWaalsContact OD1-CB 3.24Å; D82-K84 WeakPolarHBondContact OD1-CB 3.43Å; D82-K84 PolarHBondContact OD1-N 2.73Å; D82-I85 HydrophobicContact CB-CB 4.22Å; D82-I85 HydrophobicContact CB-CD1 3.88Å; D82-I85 HydrophobicContact CB-CG1 3.91Å; D82-I85 PolarHBondContact O-N 3.01Å; D82-I85 VanDerWaalsContact O-N 3.11Å; D82-I85 PolarHBondContact OD1-N 3.3Å; D82-F86 PolarHBondContact O-N 2.92Å
83V88.3Confident91.3Very high52 Ų5275.4 Ų75.432%0.31537%0.374SS..Hα-helixtrans-59.2-26.7-178.1710000113.5K87 F131V83-K87 HydrophobicContact CG2-CD 4.35Å; V83-K87 VanDerWaalsContact O-CB 3.28Å; V83-K87 WeakPolarHBondContact O-CB 3.42Å; V83-K87 WeakPolarHBondContact O-CD 3.39Å; V83-K87 WeakPolarHBondContact O-CG 3.36Å; V83-K87 PolarHBondContact O-N 2.79Å; V83-K87 VanDerWaalsContact O-N 3.08Å; V83-F131 HydrophobicContact CB-CD1 4.11Å; V83-F131 HydrophobicContact CB-CE1 3.66Å; V83-F131 HydrophobicContact CB-CZ 4.07Å; V83-F131 HydrophobicContact CG2-CD1 4.34Å; V83-F131 HydrophobicContact CG2-CE1 4.15Å; V83-F131 HydrophobicContact CG2-CZ 4.28Å
84K90.5Very high91.5Very high148 Ų14869.5 Ų69.564%0.64335%0.348SS*.Hα-helixtrans-73.8-47.4176.9-62.4178.1-179.1172.80110.1D82 F86 K87 E88D82-K84 PolarHBondContact O-N 2.75Å; D82-K84 VanDerWaalsContact O-N 3.12Å; D82-K84 WeakPolarHBondContact OD1-CA 3.19Å; D82-K84 VanDerWaalsContact OD1-CB 3.24Å; D82-K84 WeakPolarHBondContact OD1-CB 3.43Å; D82-K84 PolarHBondContact OD1-N 2.73Å; K84-F86 VanDerWaalsContact C-N 3.35Å; K84-F86 PolarHBondContact O-N 3.27Å; K84-K87 WeakPolarHBondContact O-CB 3.44Å; K84-K87 PolarHBondContact O-N 3.42Å; K84-K87 VanDerWaalsContact O-N 3.17Å; K84-E88 PolarHBondContact O-N 3.22Å
85I92.3Very high91.5Very high67 Ų6776.7 Ų76.734%0.34438%0.378SS..Hα-helixtrans-61.5-46.6178.6-57.9-179.5000109.8V79 Y80 D82 K87 E88 W89V79-I85 HydrophobicContact CG2-CD1 3.77Å; V79-I85 HydrophobicContact CG2-CG2 4.37Å; Y80-I85 HydrophobicContact CD1-CG2 3.89Å; Y80-I85 HydrophobicContact CE1-CG2 4.02Å; D82-I85 HydrophobicContact CB-CB 4.22Å; D82-I85 HydrophobicContact CB-CD1 3.88Å; D82-I85 HydrophobicContact CB-CG1 3.91Å; D82-I85 PolarHBondContact O-N 3.01Å; D82-I85 VanDerWaalsContact O-N 3.11Å; D82-I85 PolarHBondContact OD1-N 3.3Å; I85-K87 VanDerWaalsContact C-N 3.33Å; I85-K87 PolarHBondContact O-N 2.98Å; I85-E88 PolarHBondContact O-N 3.11Å; I85-W89 PolarHBondContact O-N 2.86Å
86F91.7Very high91.6Very high1 Ų176.3 Ų76.30%0.00437%0.371CS..Hα-helixtrans-59-42.7175178.6-108.1000112.5D82 K84 E88 W89 V90 V122 L125 M126 F131 F136 L149 I151D82-F86 PolarHBondContact O-N 2.92Å; K84-F86 VanDerWaalsContact C-N 3.35Å; K84-F86 PolarHBondContact O-N 3.27Å; F86-E88 VanDerWaalsContact C-N 3.32Å; F86-E88 PolarHBondContact O-N 2.97Å; F86-W89 HydrophobicContact CD2-CE3 4.19Å; F86-W89 HydrophobicContact CE2-CE3 4.03Å; F86-W89 HydrophobicContact CE2-CZ3 4.12Å; F86-W89 PolarHBondContact O-N 3.5Å; F86-V90 HydrophobicContact CD1-CG2 4.14Å; F86-V90 HydrophobicContact CD2-CG2 4.16Å; F86-V90 HydrophobicContact CE1-CG2 3.72Å; F86-V90 HydrophobicContact CE2-CG2 3.71Å; F86-V90 HydrophobicContact CG-CG2 4.37Å; F86-V90 HydrophobicContact CZ-CG2 3.48Å; F86-V90 VanDerWaalsContact CZ-CG2 3.48Å; F86-V90 VanDerWaalsContact O-CG2 3.31Å; F86-V90 WeakPolarHBondContact O-CG2 3.33Å; F86-V90 PolarHBondContact O-N 3.44Å; F86-V122 HydrophobicContact CE1-CG1 4.2Å; F86-L125 HydrophobicContact CZ-CD1 4.5Å; F86-M126 HydrophobicContact CD1-CG 4.42Å; F86-M126 HydrophobicContact CE1-CG 4.27Å; F86-F131 HydrophobicContact CB-CE2 4.06Å; F86-F131 HydrophobicContact CB-CZ 3.78Å; F86-F131 HydrophobicContact CD1-CD2 4.41Å; F86-F131 AromaticContact CD1-CE2 3.41Å; F86-F131 HydrophobicContact CD1-CE2 3.41Å; F86-F131 VanDerWaalsContact CD1-CE2 3.41Å; F86-F131 HydrophobicContact CD1-CZ 4.03Å; F86-F131 AromaticContact CE1-CE2 3.94Å; F86-F131 HydrophobicContact CE1-CE2 3.94Å; F86-F131 AromaticContact CG-CE2 3.76Å; F86-F131 HydrophobicContact CG-CE2 3.76Å; F86-F131 HydrophobicContact CG-CZ 4.01Å; F86-F136 HydrophobicContact CD2-CD1 4.34Å; F86-F136 AromaticContact CD2-CE1 3.6Å; F86-F136 HydrophobicContact CD2-CE1 3.6Å; F86-F136 HydrophobicContact CD2-CZ 4.02Å; F86-F136 HydrophobicContact CE2-CD1 4.32Å; F86-F136 AromaticContact CE2-CE1 3.54Å; F86-F136 HydrophobicContact CE2-CE1 3.54Å; F86-F136 HydrophobicContact CE2-CZ 4.26Å; F86-F136 HydrophobicContact CG-CE1 4.39Å; F86-F136 HydrophobicContact CG-CZ 4.39Å; F86-F136 HydrophobicContact CZ-CE1 4.27Å; F86-L149 HydrophobicContact CD2-CD2 4.24Å; F86-L149 HydrophobicContact CE2-CD2 4.36Å; F86-I151 HydrophobicContact CE2-CD1 3.84Å; F86-I151 HydrophobicContact CZ-CD1 3.77Å
87K90.7Very high91.7Very high92 Ų9273.1 Ų73.140%0.435%0.349SS..Hα-helixtrans-62.7-37.1176.9-84.6172.1178.9173.90113.2V83 K84 I85 K91 M126V83-K87 HydrophobicContact CG2-CD 4.35Å; V83-K87 VanDerWaalsContact O-CB 3.28Å; V83-K87 WeakPolarHBondContact O-CB 3.42Å; V83-K87 WeakPolarHBondContact O-CD 3.39Å; V83-K87 WeakPolarHBondContact O-CG 3.36Å; V83-K87 PolarHBondContact O-N 2.79Å; V83-K87 VanDerWaalsContact O-N 3.08Å; K84-K87 WeakPolarHBondContact O-CB 3.44Å; K84-K87 PolarHBondContact O-N 3.42Å; K84-K87 VanDerWaalsContact O-N 3.17Å; I85-K87 VanDerWaalsContact C-N 3.33Å; I85-K87 PolarHBondContact O-N 2.98Å; K87-K91 VanDerWaalsContact O-CG 3.32Å; K87-K91 WeakPolarHBondContact O-CG 3.16Å; K87-K91 PolarHBondContact O-N 2.78Å; K87-M126 HydrophobicContact CD-SD 3.93Å; K87-M126 WeakPolarHBondContact CE-SD 3.33Å; K87-M126 HydrophobicContact CG-SD 3.44Å; K87-M126 WeakPolarHBondContact CG-SD 3.38Å
88E93.6Very high91.8Very high123 Ų12371.2 Ų71.258%0.57534%0.34SS*.Hα-helixtrans-68.3-48.8175.7-70.6-171.3103.800110.4K84 I85 F86 V90 K91 E92K84-E88 PolarHBondContact O-N 3.22Å; I85-E88 PolarHBondContact O-N 3.11Å; F86-E88 VanDerWaalsContact C-N 3.32Å; F86-E88 PolarHBondContact O-N 2.97Å; E88-V90 PolarHBondContact O-N 2.87Å; E88-K91 WeakPolarHBondContact O-CB 3.38Å; E88-K91 PolarHBondContact O-N 2.87Å; E88-K91 VanDerWaalsContact O-N 3.08Å; E88-E92 PolarHBondContact O-N 3.15Å
89W92.9Very high92Very high31 Ų3170.8 Ų70.812%0.11734%0.338CS..Hα-helixtrans-55.8-48.1175.9176.884000112.5Y80 I85 F86 K91 E92 Y93 Q148 L149Y80-W89 HydrophobicContact CD1-CB 4.16Å; Y80-W89 HydrophobicContact CD1-CG 4.39Å; Y80-W89 HydrophobicContact CE1-CB 3.65Å; Y80-W89 AromaticContact CE1-CD1 3.88Å; Y80-W89 AromaticContact CE1-CG 3.74Å; Y80-W89 HydrophobicContact CE1-CG 3.74Å; Y80-W89 AromaticContact CZ-CD1 3.98Å; I85-W89 PolarHBondContact O-N 2.86Å; F86-W89 HydrophobicContact CD2-CE3 4.19Å; F86-W89 HydrophobicContact CE2-CE3 4.03Å; F86-W89 HydrophobicContact CE2-CZ3 4.12Å; F86-W89 PolarHBondContact O-N 3.5Å; W89-K91 VanDerWaalsContact C-N 3.28Å; W89-K91 PolarHBondContact O-N 3.32Å; W89-E92 PolarHBondContact O-N 3.23Å; W89-Y93 AromaticContact CH2-CD1 3.96Å; W89-Y93 HydrophobicContact CH2-CD1 3.96Å; W89-Y93 HydrophobicContact CH2-CD2 4.35Å; W89-Y93 AromaticContact CH2-CG 3.88Å; W89-Y93 HydrophobicContact CH2-CG 3.88Å; W89-Y93 HydrophobicContact CZ2-CD1 4.07Å; W89-Y93 AromaticContact CZ2-CD2 3.63Å; W89-Y93 HydrophobicContact CZ2-CD2 3.63Å; W89-Y93 HydrophobicContact CZ2-CE2 4.27Å; W89-Y93 AromaticContact CZ2-CG 3.52Å; W89-Y93 HydrophobicContact CZ2-CG 3.52Å; W89-Y93 WeakPolarHBondContact O-CB 3.22Å; W89-Y93 PolarHBondContact O-N 2.84Å; W89-Q148 HydrophobicContact CH2-CG 4.48Å; W89-L149 HydrophobicContact CD2-CB 4.26Å; W89-L149 HydrophobicContact CD2-CD2 4.37Å; W89-L149 HydrophobicContact CE3-CB 4.22Å; W89-L149 HydrophobicContact CE3-CD2 4.19Å; W89-L149 HydrophobicContact CH2-CB 3.38Å; W89-L149 HydrophobicContact CZ2-CB 3.39Å; W89-L149 HydrophobicContact CZ3-CB 3.8Å; W89-L149 HydrophobicContact CZ3-CD2 4.36Å
90V92.7Very high92.1Very high17 Ų1771.1 Ų71.110%0.10333%0.33CS..Hα-helixtrans-58.6-421781710000111.3F86 E88 V94 V122F86-V90 HydrophobicContact CD1-CG2 4.14Å; F86-V90 HydrophobicContact CD2-CG2 4.16Å; F86-V90 HydrophobicContact CE1-CG2 3.72Å; F86-V90 HydrophobicContact CE2-CG2 3.71Å; F86-V90 HydrophobicContact CG-CG2 4.37Å; F86-V90 HydrophobicContact CZ-CG2 3.48Å; F86-V90 VanDerWaalsContact CZ-CG2 3.48Å; F86-V90 VanDerWaalsContact O-CG2 3.31Å; F86-V90 WeakPolarHBondContact O-CG2 3.33Å; F86-V90 PolarHBondContact O-N 3.44Å; E88-V90 PolarHBondContact O-N 2.87Å; V90-V94 HydrophobicContact CG1-CG2 3.95Å; V90-V94 VanDerWaalsContact O-CB 3.22Å; V90-V94 WeakPolarHBondContact O-CB 3.31Å; V90-V94 WeakPolarHBondContact O-CG2 3.47Å; V90-V94 PolarHBondContact O-N 2.81Å; V90-V122 HydrophobicContact CB-CG1 4.39Å; V90-V122 HydrophobicContact CG1-CB 4.33Å; V90-V122 HydrophobicContact CG1-CG1 3.84Å; V90-V122 HydrophobicContact CG1-CG2 3.7Å; V90-V122 HydrophobicContact CG2-CG1 4.07Å; V90-V122 HydrophobicContact CG2-CG2 4.41Å
91K91.2Very high92.2Very high156 Ų15670.3 Ų70.368%0.67833%0.328SS*.Hα-helixtrans-64-45179.5-76.5173.2-178.4176.70111.6K87 E88 W89 K95K87-K91 VanDerWaalsContact O-CG 3.32Å; K87-K91 WeakPolarHBondContact O-CG 3.16Å; K87-K91 PolarHBondContact O-N 2.78Å; E88-K91 WeakPolarHBondContact O-CB 3.38Å; E88-K91 PolarHBondContact O-N 2.87Å; E88-K91 VanDerWaalsContact O-N 3.08Å; W89-K91 VanDerWaalsContact C-N 3.28Å; W89-K91 PolarHBondContact O-N 3.32Å; K91-K95 VanDerWaalsContact O-CB 3.31Å; K91-K95 WeakPolarHBondContact O-CB 3.35Å; K91-K95 PolarHBondContact O-N 2.81Å; K91-K95 VanDerWaalsContact O-N 3.15Å
92E93.5Very high92.4Very high143 Ų14371.6 Ų71.667%0.66833%0.332SS*.Hα-helixtrans-68-47.8179.6-67.7-168.497.300111.3E88 W89 K95 K96E88-E92 PolarHBondContact O-N 3.15Å; W89-E92 PolarHBondContact O-N 3.23Å; E92-K95 WeakPolarHBondContact O-CB 3.05Å; E92-K95 PolarHBondContact O-N 3.39Å; E92-K96 PolarHBondContact O-N 2.91Å
93Y93.4Very high92.5Very high9 Ų973.4 Ų73.44%0.03534%0.342CS..Hα-helixtrans-61.8-48.8179.2-174.8-94.5000112F8 W89 K95 K96 L97 Q148 I168F8-Y93 AromaticContact CD2-CE2 3.69Å; F8-Y93 HydrophobicContact CD2-CE2 3.69Å; F8-Y93 HydrophobicContact CE2-CD2 4.39Å; F8-Y93 AromaticContact CE2-CE2 3.63Å; F8-Y93 HydrophobicContact CE2-CE2 3.63Å; F8-Y93 AromaticContact CE2-CZ 3.86Å; W89-Y93 AromaticContact CH2-CD1 3.96Å; W89-Y93 HydrophobicContact CH2-CD1 3.96Å; W89-Y93 HydrophobicContact CH2-CD2 4.35Å; W89-Y93 AromaticContact CH2-CG 3.88Å; W89-Y93 HydrophobicContact CH2-CG 3.88Å; W89-Y93 HydrophobicContact CZ2-CD1 4.07Å; W89-Y93 AromaticContact CZ2-CD2 3.63Å; W89-Y93 HydrophobicContact CZ2-CD2 3.63Å; W89-Y93 HydrophobicContact CZ2-CE2 4.27Å; W89-Y93 AromaticContact CZ2-CG 3.52Å; W89-Y93 HydrophobicContact CZ2-CG 3.52Å; W89-Y93 WeakPolarHBondContact O-CB 3.22Å; W89-Y93 PolarHBondContact O-N 2.84Å; Y93-K95 VanDerWaalsContact C-N 3.27Å; Y93-K95 PolarHBondContact O-N 2.79Å; Y93-K96 PolarHBondContact O-N 2.89Å; Y93-L97 HydrophobicContact CE1-CB 4.37Å; Y93-L97 HydrophobicContact CE1-CD2 3.85Å; Y93-L97 VanDerWaalsContact O-CB 3.31Å; Y93-L97 WeakPolarHBondContact O-CB 3.34Å; Y93-L97 PolarHBondContact O-N 3.18Å; Y93-Q148 HydrophobicContact CE1-CB 4.49Å; Y93-Q148 HydrophobicContact CE1-CG 4.26Å; Y93-Q148 HydrophobicContact CE2-CB 4.01Å; Y93-Q148 WeakPolarHBondContact OH-CB 3.45Å; Y93-I168 HydrophobicContact CD1-CD1 4.08Å; Y93-I168 HydrophobicContact CE1-CD1 3.8Å
94V92.2Very high92.6Very high23 Ų2376 Ų7614%0.13935%0.354CS..Hα-helixtrans-62.3-36.6177.51720000111V90 V98 I118V90-V94 HydrophobicContact CG1-CG2 3.95Å; V90-V94 VanDerWaalsContact O-CB 3.22Å; V90-V94 WeakPolarHBondContact O-CB 3.31Å; V90-V94 WeakPolarHBondContact O-CG2 3.47Å; V90-V94 PolarHBondContact O-N 2.81Å; V94-V98 HydrophobicContact CG1-CG2 4.21Å; V94-V98 WeakPolarHBondContact O-CB 3.34Å; V94-V98 WeakPolarHBondContact O-CG2 3.2Å; V94-V98 PolarHBondContact O-N 2.77Å; V94-I118 HydrophobicContact CG1-CG2 4.13Å; V94-I118 HydrophobicContact CG2-CG1 4.2Å; V94-I118 HydrophobicContact CG2-CG2 4.27Å
95K93.5Very high92.6Very high164 Ų16471.8 Ų71.871%0.71335%0.353SS*.Hα-helixtrans-64.4-46.7175.3-174.8-176.1176.4-1710111.2K91 E92 Y93 V98 D99K91-K95 VanDerWaalsContact O-CB 3.31Å; K91-K95 WeakPolarHBondContact O-CB 3.35Å; K91-K95 PolarHBondContact O-N 2.81Å; K91-K95 VanDerWaalsContact O-N 3.15Å; E92-K95 WeakPolarHBondContact O-CB 3.05Å; E92-K95 PolarHBondContact O-N 3.39Å; Y93-K95 VanDerWaalsContact C-N 3.27Å; Y93-K95 PolarHBondContact O-N 2.79Å; K95-V98 PolarHBondContact O-N 3.38Å; K95-D99 PolarHBondContact O-N 3.13Å; K95-D99 VanDerWaalsContact O-N 3.11Å
96K94Very high92.5Very high62 Ų6270.9 Ų70.927%0.2735%0.348SS..Hα-helixtrans-60.1-46176.7-166.6-175-178.7177.80111F8 E92 Y93 D99 R100 E146F8-K96 HydrophobicContact CD1-CD 4Å; F8-K96 VanDerWaalsContact CD1-CE 3.43Å; F8-K96 HydrophobicContact CD1-CG 4.36Å; F8-K96 HydrophobicContact CD2-CD 4.47Å; F8-K96 HydrophobicContact CE1-CD 3.78Å; F8-K96 HydrophobicContact CE1-CG 3.64Å; F8-K96 HydrophobicContact CE2-CD 4.26Å; F8-K96 HydrophobicContact CE2-CG 4.41Å; F8-K96 HydrophobicContact CG-CD 4.33Å; F8-K96 HydrophobicContact CZ-CB 4.17Å; F8-K96 HydrophobicContact CZ-CD 3.9Å; F8-K96 HydrophobicContact CZ-CG 3.66Å; E92-K96 PolarHBondContact O-N 2.91Å; Y93-K96 PolarHBondContact O-N 2.89Å; K96-D99 PolarHBondContact O-N 2.77Å; K96-R100 PolarHBondContact O-N 3.36Å; K96-E146 PolarHBondContact NZ-O 3.17Å; K96-E146 VanDerWaalsContact NZ-O 3.13Å; K96-E146 IonicContact NZ-OE1 3.71Å; K96-E146 PolarHBondContact NZ-OE1 2.79Å; K96-E146 IonicContact NZ-OE2 2.67Å; K96-E146 PolarHBondContact NZ-OE2 3.29Å
97L94Very high92.4Very high0 Ų072.4 Ų72.40%036%0.364CS..Hα-helixtrans-64.8-43179.5-175.157.1000112.7I7 F8 Y93 D99 R100 L101 F114 I168 Q170I7-L97 HydrophobicContact CG2-CD1 4.18Å; F8-L97 HydrophobicContact CE2-CB 4.37Å; F8-L97 HydrophobicContact CE2-CD1 4.2Å; F8-L97 HydrophobicContact CZ-CB 4.32Å; F8-L97 HydrophobicContact CZ-CD1 4.25Å; Y93-L97 HydrophobicContact CE1-CB 4.37Å; Y93-L97 HydrophobicContact CE1-CD2 3.85Å; Y93-L97 VanDerWaalsContact O-CB 3.31Å; Y93-L97 WeakPolarHBondContact O-CB 3.34Å; Y93-L97 PolarHBondContact O-N 3.18Å; L97-D99 VanDerWaalsContact C-N 3.32Å; L97-D99 PolarHBondContact O-N 2.88Å; L97-R100 PolarHBondContact O-N 3.22Å; L97-L101 HydrophobicContact CD1-CD1 4.34Å; L97-L101 HydrophobicContact CD1-CG 4.18Å; L97-L101 HydrophobicContact CG-CD1 4.01Å; L97-L101 HydrophobicContact CG-CG 4.34Å; L97-L101 WeakPolarHBondContact O-CB 3.2Å; L97-L101 WeakPolarHBondContact O-CG 3.48Å; L97-L101 PolarHBondContact O-N 2.68Å; L97-F114 HydrophobicContact CD2-CE1 4.17Å; L97-F114 HydrophobicContact CD2-CZ 3.61Å; L97-F114 HydrophobicContact CG-CE1 4.42Å; L97-F114 HydrophobicContact CG-CZ 4.32Å; L97-I168 HydrophobicContact CD2-CG2 4.16Å; L97-Q170 WeakPolarHBondContact CD1-O 3.38Å; L97-Q170 HydrophobicContact CD2-CB 4.22Å
98V93.4Very high92.4Very high16 Ų1675.9 Ų75.910%0.09738%0.381CS..Hα-helixtrans-61.5-41.8175.1163.50000111.6V94 K95 R100 K102 L111 F114 K115V94-V98 HydrophobicContact CG1-CG2 4.21Å; V94-V98 WeakPolarHBondContact O-CB 3.34Å; V94-V98 WeakPolarHBondContact O-CG2 3.2Å; V94-V98 PolarHBondContact O-N 2.77Å; K95-V98 PolarHBondContact O-N 3.38Å; V98-R100 VanDerWaalsContact C-N 3.35Å; V98-K102 VanDerWaalsContact O-CB 3.3Å; V98-K102 WeakPolarHBondContact O-CB 3.26Å; V98-K102 PolarHBondContact O-N 2.81Å; V98-L111 HydrophobicContact CG1-CD2 4.35Å; V98-F114 HydrophobicContact CG2-CD1 4.14Å; V98-F114 HydrophobicContact CG2-CE1 4.09Å; V98-K115 HydrophobicContact CG2-CD 4.23Å; V98-K115 HydrophobicContact CG2-CG 3.82Å
99D94.3Very high92.4Very high95 Ų9574 Ų7451%0.50839%0.386SS..Hα-helixtrans-64.1-44.6178.3-157.8-90.5000110.5K95 K96 L97 K102 N103K95-D99 PolarHBondContact O-N 3.13Å; K95-D99 VanDerWaalsContact O-N 3.11Å; K96-D99 PolarHBondContact O-N 2.77Å; L97-D99 VanDerWaalsContact C-N 3.32Å; L97-D99 PolarHBondContact O-N 2.88Å; D99-K102 WeakPolarHBondContact O-CB 3.33Å; D99-K102 PolarHBondContact O-N 3.29Å; D99-N103 VanDerWaalsContact O-CG 3.24Å; D99-N103 PolarHBondContact O-N 3.03Å; D99-N103 PolarHBondContact O-ND2 2.98Å; D99-N103 PolarHBondContact OD1-ND2 3.05Å
100R92.6Very high92.3Very high86 Ų8678 Ų7833%0.32541%0.407SS..Hα-helixtrans-57.8-53.9174.1179.959.4-174.7-86.7-4.9112.2I7 F8 K96 L97 V98 K102 N103 D104I7-R100 HydrophobicContact CD1-CG 3.8Å; I7-R100 HydrophobicContact CG1-CG 4.33Å; I7-R100 PolarHBondContact O-NH1 3.15Å; F8-R100 HydrophobicContact CE1-CB 4.03Å; F8-R100 HydrophobicContact CE1-CG 4.26Å; F8-R100 HydrophobicContact CZ-CB 4.14Å; K96-R100 PolarHBondContact O-N 3.36Å; L97-R100 PolarHBondContact O-N 3.22Å; V98-R100 VanDerWaalsContact C-N 3.35Å; R100-K102 PolarHBondContact O-N 2.7Å; R100-N103 CarbonylContact O-C 3.53Å; R100-N103 WeakPolarHBondContact O-CA 3.32Å; R100-N103 WeakPolarHBondContact O-CB 3.34Å; R100-N103 PolarHBondContact O-N 3.05Å; R100-D104 VanDerWaalsContact CD-OD2 3.29Å; R100-D104 WeakPolarHBondContact CD-OD2 3.25Å; R100-D104 IonicContact CZ-OD2 2.92Å; R100-D104 IonicContact NE-OD2 2.88Å; R100-D104 PolarHBondContact NE-OD2 3.32Å; R100-D104 IonicContact NH2-OD2 2.77Å; R100-D104 PolarHBondContact O-N 3.37Å
101L92.9Very high92.3Very high16 Ų1677.8 Ų77.88%0.08441%0.405CS..Hα-helixtrans-58.6-37179.3-70.2169.7000112.4L97 D104 G105 M106 L111 F114 Q170L97-L101 HydrophobicContact CD1-CD1 4.34Å; L97-L101 HydrophobicContact CD1-CG 4.18Å; L97-L101 HydrophobicContact CG-CD1 4.01Å; L97-L101 HydrophobicContact CG-CG 4.34Å; L97-L101 WeakPolarHBondContact O-CB 3.2Å; L97-L101 WeakPolarHBondContact O-CG 3.48Å; L97-L101 PolarHBondContact O-N 2.68Å; L101-D104 PolarHBondContact O-N 3.21Å; L101-G105 PolarHBondContact O-N 3.4Å; L101-M106 HydrophobicContact CB-CB 4.26Å; L101-M106 HydrophobicContact CB-SD 4.14Å; L101-M106 HydrophobicContact CD1-SD 4.12Å; L101-M106 HydrophobicContact CD2-CE 4.4Å; L101-M106 HydrophobicContact CD2-SD 4.39Å; L101-M106 HydrophobicContact CG-SD 4.46Å; L101-M106 WeakPolarHBondContact O-CB 3.3Å; L101-M106 PolarHBondContact O-N 2.96Å; L101-L111 HydrophobicContact CB-CD2 3.57Å; L101-L111 HydrophobicContact CD1-CD2 4.22Å; L101-F114 HydrophobicContact CD1-CD1 4.08Å; L101-F114 HydrophobicContact CD1-CE1 4.11Å; L101-Q170 HydrophobicContact CD1-CB 3.87Å; L101-Q170 HydrophobicContact CD1-CG 4.13Å; L101-Q170 HydrophobicContact CD2-CB 4.08Å; L101-Q170 HydrophobicContact CD2-CG 4.4Å
102K93.3Very high92.4Very high123 Ų12377.8 Ų77.854%0.53541%0.405SS..Hα-helixtrans-65.1-41.4174.7-172.2-179.4178.2-176.70111.6V98 D99 R100 D104 G105 L111V98-K102 VanDerWaalsContact O-CB 3.3Å; V98-K102 WeakPolarHBondContact O-CB 3.26Å; V98-K102 PolarHBondContact O-N 2.81Å; D99-K102 WeakPolarHBondContact O-CB 3.33Å; D99-K102 PolarHBondContact O-N 3.29Å; R100-K102 PolarHBondContact O-N 2.7Å; K102-D104 VanDerWaalsContact C-N 3.34Å; K102-G105 PolarHBondContact O-N 2.99Å; K102-G105 VanDerWaalsContact O-N 3.17Å; K102-L111 HydrophobicContact CB-CD1 3.74Å; K102-L111 HydrophobicContact CG-CD1 3.98Å
103N92.7Very high92.4Very high118 Ų11876.1 Ų76.163%0.63140%0.397SS*.Hα-helixtrans-69.2-32.1177.1-66.2-35.6000112.3D99 R100 G105D99-N103 VanDerWaalsContact O-CG 3.24Å; D99-N103 PolarHBondContact O-N 3.03Å; D99-N103 PolarHBondContact O-ND2 2.98Å; D99-N103 PolarHBondContact OD1-ND2 3.05Å; R100-N103 CarbonylContact O-C 3.53Å; R100-N103 WeakPolarHBondContact O-CA 3.32Å; R100-N103 WeakPolarHBondContact O-CB 3.34Å; R100-N103 PolarHBondContact O-N 3.05Å; N103-G105 PolarHBondContact O-N 3.31Å
104D90.4Very high92.3Very high105 Ų10576 Ų7656%0.56140%0.396SS*.THydrogen-bonded Turntrans-73.2-1.9171.4-81.4-80.1000113.5R100 L101 K102R100-D104 VanDerWaalsContact CD-OD2 3.29Å; R100-D104 WeakPolarHBondContact CD-OD2 3.25Å; R100-D104 IonicContact CZ-OD2 2.92Å; R100-D104 IonicContact NE-OD2 2.88Å; R100-D104 PolarHBondContact NE-OD2 3.32Å; R100-D104 IonicContact NH2-OD2 2.77Å; R100-D104 PolarHBondContact O-N 3.37Å; L101-D104 PolarHBondContact O-N 3.21Å; K102-D104 VanDerWaalsContact C-N 3.34Å
105G89.4Confident92.3Very high61 Ų6179.6 Ų79.663%0.62941%0.41SS*.THydrogen-bonded Turntrans9410.9172.300000115.4L101 K102 N103 G107L101-G105 PolarHBondContact O-N 3.4Å; K102-G105 PolarHBondContact O-N 2.99Å; K102-G105 VanDerWaalsContact O-N 3.17Å; N103-G105 PolarHBondContact O-N 3.31Å; G105-G107 PolarHBondContact O-N 2.97Å
106M89.6Confident92.4Very high48 Ų4875.1 Ų75.124%0.23640%0.397CS..  trans-61.3132.3173.7-173.7175.2-98.100110.7L101 E110 L111L101-M106 HydrophobicContact CB-CB 4.26Å; L101-M106 HydrophobicContact CB-SD 4.14Å; L101-M106 HydrophobicContact CD1-SD 4.12Å; L101-M106 HydrophobicContact CD2-CE 4.4Å; L101-M106 HydrophobicContact CD2-SD 4.39Å; L101-M106 HydrophobicContact CG-SD 4.46Å; L101-M106 WeakPolarHBondContact O-CB 3.3Å; L101-M106 PolarHBondContact O-N 2.96Å; M106-E110 HydrophobicContact CE-CB 4.41Å; M106-E110 HydrophobicContact CG-CB 3.61Å; M106-E110 HydrophobicContact SD-CB 3.99Å; M106-L111 HydrophobicContact CB-CD2 4.28Å; M106-L111 HydrophobicContact CB-CG 4.24Å; M106-L111 HydrophobicContact CG-CD2 4.18Å; M106-L111 HydrophobicContact CG-CG 4Å; M106-L111 HydrophobicContact SD-CD2 3.8Å; M106-L111 HydrophobicContact SD-CG 4.13Å
107G90.8Very high92.3Very high32 Ų3274.5 Ų74.533%0.3339%0.394SS..  trans-66.6155.2-177.200000113.1G105 A109 E110 L111G105-G107 PolarHBondContact O-N 2.97Å; G107-A109 PolarHBondContact O-N 3.11Å; G107-E110 PolarHBondContact O-N 2.72Å; G107-E110 VanDerWaalsContact O-N 3.17Å; G107-L111 PolarHBondContact O-N 2.84Å
108E90.5Very high92.3Very high166 Ų16674.7 Ų74.778%0.77640%0.395SS*.Hα-helixtrans-58.8-33.2179.6-72.8-164.692.200113.3K112E108-K112 WeakPolarHBondContact O-CB 3.37Å; E108-K112 PolarHBondContact O-N 3.02Å
109A92.3Very high92.2Very high82 Ų8280.4 Ų80.468%0.67842%0.421SS*.Hα-helixtrans-66-45.6177.400000111.9G107 K112 E113G107-A109 PolarHBondContact O-N 3.11Å; A109-K112 PolarHBondContact O-N 2.83Å; A109-E113 PolarHBondContact O-N 3.36Å
110E91.4Very high92.1Very high117 Ų11781.7 Ų81.755%0.54742%0.424SS..Hα-helixtrans-67.3-41.7178.3-66-179.298.100111.4M106 G107 K112 E113 F114M106-E110 HydrophobicContact CE-CB 4.41Å; M106-E110 HydrophobicContact CG-CB 3.61Å; M106-E110 HydrophobicContact SD-CB 3.99Å; G107-E110 PolarHBondContact O-N 2.72Å; G107-E110 VanDerWaalsContact O-N 3.17Å; E110-K112 VanDerWaalsContact C-N 3.28Å; E110-K112 PolarHBondContact O-N 2.76Å; E110-E113 PolarHBondContact O-N 2.81Å; E110-F114 WeakPolarHBondContact O-CB 3.09Å; E110-F114 PolarHBondContact O-N 2.81Å
111L92.7Very high92.1Very high12 Ų1278.1 Ų78.16%0.06341%0.411CS..Hα-helixtrans-60-39.5174.2-74.2171.6000112.1V98 L101 K102 M106 G107 K115V98-L111 HydrophobicContact CG1-CD2 4.35Å; L101-L111 HydrophobicContact CB-CD2 3.57Å; L101-L111 HydrophobicContact CD1-CD2 4.22Å; K102-L111 HydrophobicContact CB-CD1 3.74Å; K102-L111 HydrophobicContact CG-CD1 3.98Å; M106-L111 HydrophobicContact CB-CD2 4.28Å; M106-L111 HydrophobicContact CB-CG 4.24Å; M106-L111 HydrophobicContact CG-CD2 4.18Å; M106-L111 HydrophobicContact CG-CG 4Å; M106-L111 HydrophobicContact SD-CD2 3.8Å; M106-L111 HydrophobicContact SD-CG 4.13Å; G107-L111 PolarHBondContact O-N 2.84Å; L111-K115 WeakPolarHBondContact O-CB 3.28Å; L111-K115 VanDerWaalsContact O-CG 3.31Å; L111-K115 WeakPolarHBondContact O-CG 3.37Å; L111-K115 PolarHBondContact O-N 3.22Å
112K92.8Very high92Very high156 Ų15678 Ų7868%0.67841%0.411SS*.Hα-helixtrans-68.2-43.5177.8-169.8177.4-179.7-178.20110.9E108 A109 E110 K115 T116E108-K112 WeakPolarHBondContact O-CB 3.37Å; E108-K112 PolarHBondContact O-N 3.02Å; A109-K112 PolarHBondContact O-N 2.83Å; E110-K112 VanDerWaalsContact C-N 3.28Å; E110-K112 PolarHBondContact O-N 2.76Å; K112-K115 PolarHBondContact O-N 2.73Å; K112-T116 PolarHBondContact O-N 3.01Å; K112-T116 VanDerWaalsContact O-N 3.09Å; K112-T116 PolarHBondContact O-OG1 3.27Å
113E93.6Very high91.8Very high107 Ų10775 Ų7550%0.541%0.405SS..Hα-helixtrans-62.9-44.9176.5-167.6178.897.600111.6A109 E110 K115 T116 K117A109-E113 PolarHBondContact O-N 3.36Å; E110-E113 PolarHBondContact O-N 2.81Å; E113-K115 PolarHBondContact O-N 3.14Å; E113-T116 PolarHBondContact O-N 3.3Å; E113-K117 HydrophobicContact CG-CD 3.95Å; E113-K117 HydrophobicContact CG-CG 4.48Å; E113-K117 WeakPolarHBondContact O-CB 3.34Å; E113-K117 WeakPolarHBondContact O-CG 3.27Å; E113-K117 PolarHBondContact O-N 3.37Å; E113-K117 WeakPolarHBondContact OE1-CE 3.49Å; E113-K117 IonicContact OE1-NZ 3.6Å; E113-K117 PolarHBondContact OE1-NZ 2.78Å
114F92.7Very high91.7Very high6 Ų671.1 Ų71.13%0.02639%0.387CS..Hα-helixtrans-55.4-50.8173.9169.9-106.6000111.4V26 L97 V98 L101 E110 T116 K117 I118 I168 Q170V26-F114 HydrophobicContact CB-CD2 4.4Å; V26-F114 HydrophobicContact CB-CE2 4.41Å; V26-F114 HydrophobicContact CG1-CD2 3.75Å; V26-F114 HydrophobicContact CG1-CE2 4.25Å; L97-F114 HydrophobicContact CD2-CE1 4.17Å; L97-F114 HydrophobicContact CD2-CZ 3.61Å; L97-F114 HydrophobicContact CG-CE1 4.42Å; L97-F114 HydrophobicContact CG-CZ 4.32Å; V98-F114 HydrophobicContact CG2-CD1 4.14Å; V98-F114 HydrophobicContact CG2-CE1 4.09Å; L101-F114 HydrophobicContact CD1-CD1 4.08Å; L101-F114 HydrophobicContact CD1-CE1 4.11Å; E110-F114 WeakPolarHBondContact O-CB 3.09Å; E110-F114 PolarHBondContact O-N 2.81Å; F114-T116 VanDerWaalsContact C-N 3.3Å; F114-T116 PolarHBondContact O-N 3.08Å; F114-K117 PolarHBondContact O-N 2.87Å; F114-I118 HydrophobicContact CE1-CG2 4.27Å; F114-I118 HydrophobicContact CE2-CB 4.2Å; F114-I118 HydrophobicContact CZ-CB 4.22Å; F114-I118 HydrophobicContact CZ-CG1 4.34Å; F114-I118 HydrophobicContact CZ-CG2 4.24Å; F114-I118 WeakPolarHBondContact O-CB 3.48Å; F114-I118 VanDerWaalsContact O-CG2 3.26Å; F114-I118 WeakPolarHBondContact O-CG2 3.29Å; F114-I118 PolarHBondContact O-N 2.69Å; F114-I168 HydrophobicContact CE2-CG2 3.81Å; F114-I168 HydrophobicContact CZ-CG2 4.03Å; F114-Q170 HydrophobicContact CD2-CB 4.31Å; F114-Q170 HydrophobicContact CD2-CG 3.76Å; F114-Q170 HydrophobicContact CE2-CB 3.87Å; F114-Q170 HydrophobicContact CE2-CG 3.82Å; F114-Q170 HydrophobicContact CZ-CB 4.28Å
115K92.2Very high91.6Very high99 Ų9966.1 Ų66.143%0.4336%0.36SS..Hα-helixtrans-57-41.8178.3-79.6176.1179.6176.30112.6V98 L111 K112 E113 I118 Q119V98-K115 HydrophobicContact CG2-CD 4.23Å; V98-K115 HydrophobicContact CG2-CG 3.82Å; L111-K115 WeakPolarHBondContact O-CB 3.28Å; L111-K115 VanDerWaalsContact O-CG 3.31Å; L111-K115 WeakPolarHBondContact O-CG 3.37Å; L111-K115 PolarHBondContact O-N 3.22Å; K112-K115 PolarHBondContact O-N 2.73Å; E113-K115 PolarHBondContact O-N 3.14Å; K115-I118 WeakPolarHBondContact O-CG2 3.49Å; K115-Q119 WeakPolarHBondContact O-CB 3.22Å; K115-Q119 PolarHBondContact O-N 3.23Å; K115-Q119 VanDerWaalsContact O-N 3.11Å
116T94.1Very high91.5Very high71 Ų7165.4 Ų65.444%0.43634%0.341SS..Hα-helixtrans-66.5-51.7177.5-62.20000110.9K112 E113 F114 I118 Q119 E120K112-T116 PolarHBondContact O-N 3.01Å; K112-T116 VanDerWaalsContact O-N 3.09Å; K112-T116 PolarHBondContact O-OG1 3.27Å; E113-T116 PolarHBondContact O-N 3.3Å; F114-T116 VanDerWaalsContact C-N 3.3Å; F114-T116 PolarHBondContact O-N 3.08Å; T116-I118 PolarHBondContact O-N 2.94Å; T116-Q119 PolarHBondContact O-N 3.19Å; T116-E120 PolarHBondContact O-N 3.48Å
117K93.8Very high91.5Very high49 Ų4969 Ų6921%0.21336%0.355CS..Hα-helixtrans-61.6-42.9-178.4-74.8171.2167.1174.90112.5N24 D25 V26 E113 F114 E120 Y121N24-K117 WeakPolarHBondContact O-CD 3.24Å; D25-K117 IonicContact OD1-NZ 3.27Å; V26-K117 HydrophobicContact CB-CB 4.44Å; V26-K117 HydrophobicContact CG1-CB 3.54Å; V26-K117 HydrophobicContact CG1-CD 3.99Å; V26-K117 HydrophobicContact CG1-CG 4.42Å; V26-K117 HydrophobicContact CG2-CB 4.02Å; E113-K117 HydrophobicContact CG-CD 3.95Å; E113-K117 HydrophobicContact CG-CG 4.48Å; E113-K117 WeakPolarHBondContact O-CB 3.34Å; E113-K117 WeakPolarHBondContact O-CG 3.27Å; E113-K117 PolarHBondContact O-N 3.37Å; E113-K117 WeakPolarHBondContact OE1-CE 3.49Å; E113-K117 IonicContact OE1-NZ 3.6Å; E113-K117 PolarHBondContact OE1-NZ 2.78Å; F114-K117 PolarHBondContact O-N 2.87Å; K117-E120 PolarHBondContact O-N 2.75Å; K117-Y121 WeakPolarHBondContact O-CB 3.48Å; K117-Y121 PolarHBondContact O-N 3.46Å
118I92.2Very high90.7Very high4 Ų472.7 Ų72.72%0.02138%0.376CS..Hα-helixtrans-68.6-37.5177.9-164.360.3000111.4V27 V94 F114 K115 T116 E120 Y121 V122 I168V27-I118 HydrophobicContact CG2-CD1 4.28Å; V94-I118 HydrophobicContact CG1-CG2 4.13Å; V94-I118 HydrophobicContact CG2-CG1 4.2Å; V94-I118 HydrophobicContact CG2-CG2 4.27Å; F114-I118 HydrophobicContact CE1-CG2 4.27Å; F114-I118 HydrophobicContact CE2-CB 4.2Å; F114-I118 HydrophobicContact CZ-CB 4.22Å; F114-I118 HydrophobicContact CZ-CG1 4.34Å; F114-I118 HydrophobicContact CZ-CG2 4.24Å; F114-I118 WeakPolarHBondContact O-CB 3.48Å; F114-I118 VanDerWaalsContact O-CG2 3.26Å; F114-I118 WeakPolarHBondContact O-CG2 3.29Å; F114-I118 PolarHBondContact O-N 2.69Å; K115-I118 WeakPolarHBondContact O-CG2 3.49Å; T116-I118 PolarHBondContact O-N 2.94Å; I118-E120 PolarHBondContact O-N 2.85Å; I118-Y121 PolarHBondContact O-N 3.15Å; I118-V122 HydrophobicContact CD1-CG2 4.45Å; I118-V122 HydrophobicContact CG1-CG2 4.26Å; I118-V122 WeakPolarHBondContact O-CB 3.38Å; I118-V122 WeakPolarHBondContact O-CG2 3.32Å; I118-V122 PolarHBondContact O-N 2.97Å; I118-I168 HydrophobicContact CD1-CD1 3.88Å; I118-I168 HydrophobicContact CD1-CG1 3.92Å; I118-I168 HydrophobicContact CD1-CG2 4.02Å; I118-I168 HydrophobicContact CG1-CD1 4.42Å
119Q91.8Very high90.4Very high136 Ų13670.4 Ų70.464%0.63637%0.369SS*.Hα-helixtrans-64-41.5175.9-178.4-180-18.300111.7K115 T116 S123K115-Q119 WeakPolarHBondContact O-CB 3.22Å; K115-Q119 PolarHBondContact O-N 3.23Å; K115-Q119 VanDerWaalsContact O-N 3.11Å; T116-Q119 PolarHBondContact O-N 3.19Å; Q119-S123 VanDerWaalsContact O-CB 3.29Å; Q119-S123 WeakPolarHBondContact O-CB 3.31Å; Q119-S123 PolarHBondContact O-N 2.9Å; Q119-S123 PolarHBondContact O-OG 2.88Å
120E92.5Very high90.2Very high121 Ų12169 Ų6957%0.56535%0.346SS*.Hα-helixtrans-63.2-43.4173.7-72.1-173.198.500111.5T116 K117 I118 S123 S124T116-E120 PolarHBondContact O-N 3.48Å; K117-E120 PolarHBondContact O-N 2.75Å; I118-E120 PolarHBondContact O-N 2.85Å; E120-S123 PolarHBondContact O-N 3.04Å; E120-S124 PolarHBondContact O-N 3.4Å
121Y92Very high90.1Very high12 Ų1264.1 Ų64.15%0.04732%0.323CS..Hα-helixtrans-62.7-49.3178.5-168.2-94.7000112.3V23 V27 E29 K117 I118 S123 S124 L125 M166V23-Y121 HydrophobicContact CB-CE2 4.47Å; V23-Y121 HydrophobicContact CG1-CD2 4.39Å; V23-Y121 HydrophobicContact CG1-CE2 3.9Å; V27-Y121 HydrophobicContact CB-CE1 4.15Å; V27-Y121 HydrophobicContact CB-CE2 4.17Å; V27-Y121 HydrophobicContact CG1-CE1 3.94Å; V27-Y121 HydrophobicContact CG1-CE2 4.29Å; V27-Y121 HydrophobicContact CG2-CD1 3.67Å; V27-Y121 HydrophobicContact CG2-CD2 4.3Å; V27-Y121 HydrophobicContact CG2-CE1 3.64Å; V27-Y121 HydrophobicContact CG2-CE2 4.28Å; V27-Y121 HydrophobicContact CG2-CG 4Å; E29-Y121 PolarHBondContact OE1-OH 2.94Å; K117-Y121 WeakPolarHBondContact O-CB 3.48Å; K117-Y121 PolarHBondContact O-N 3.46Å; I118-Y121 PolarHBondContact O-N 3.15Å; Y121-S123 VanDerWaalsContact C-N 3.28Å; Y121-S123 PolarHBondContact O-N 2.98Å; Y121-S124 WeakPolarHBondContact O-CA 3.45Å; Y121-S124 VanDerWaalsContact O-CB 3.3Å; Y121-S124 WeakPolarHBondContact O-CB 3.18Å; Y121-S124 PolarHBondContact O-N 2.94Å; Y121-L125 HydrophobicContact CD1-CD1 3.85Å; Y121-L125 HydrophobicContact CD1-CG 4.22Å; Y121-L125 HydrophobicContact CE1-CD1 3.6Å; Y121-L125 HydrophobicContact CE1-CD2 4.26Å; Y121-L125 HydrophobicContact CE1-CG 3.95Å; Y121-L125 PolarHBondContact O-N 3.49Å; Y121-M166 PolarHBondContact OH-SD 2.87Å
122V90.4Very high89.8Confident14 Ų1470.3 Ų70.39%0.08535%0.35CS..Hα-helixtrans-60.6-40.8176.3175.10000110.2F86 V90 I118 S124 L125 M126F86-V122 HydrophobicContact CE1-CG1 4.2Å; V90-V122 HydrophobicContact CB-CG1 4.39Å; V90-V122 HydrophobicContact CG1-CB 4.33Å; V90-V122 HydrophobicContact CG1-CG1 3.84Å; V90-V122 HydrophobicContact CG1-CG2 3.7Å; V90-V122 HydrophobicContact CG2-CG1 4.07Å; V90-V122 HydrophobicContact CG2-CG2 4.41Å; I118-V122 HydrophobicContact CD1-CG2 4.45Å; I118-V122 HydrophobicContact CG1-CG2 4.26Å; I118-V122 WeakPolarHBondContact O-CB 3.38Å; I118-V122 WeakPolarHBondContact O-CG2 3.32Å; I118-V122 PolarHBondContact O-N 2.97Å; V122-S124 PolarHBondContact O-N 3.17Å; V122-L125 WeakPolarHBondContact O-CB 3.38Å; V122-L125 PolarHBondContact O-N 2.91Å; V122-L125 VanDerWaalsContact O-N 3.11Å; V122-M126 HydrophobicContact CG1-CE 3.86Å; V122-M126 HydrophobicContact CG1-CG 4.25Å; V122-M126 HydrophobicContact CG1-SD 3.98Å; V122-M126 VanDerWaalsContact O-CG 3.28Å; V122-M126 WeakPolarHBondContact O-CG 3.21Å; V122-M126 PolarHBondContact O-N 3.47Å
123S90.2Very high89.7Confident59 Ų5967.3 Ų67.341%0.41334%0.341SS..Hα-helixtrans-61.7-33.7176-600000112.7Q119 E120 Y121Q119-S123 VanDerWaalsContact O-CB 3.29Å; Q119-S123 WeakPolarHBondContact O-CB 3.31Å; Q119-S123 PolarHBondContact O-N 2.9Å; Q119-S123 PolarHBondContact O-OG 2.88Å; E120-S123 PolarHBondContact O-N 3.04Å; Y121-S123 VanDerWaalsContact C-N 3.28Å; Y121-S123 PolarHBondContact O-N 2.98Å
124S90.5Very high89.7Confident36 Ų3662.2 Ų62.225%0.25232%0.317SS..Hα-helixtrans-67.8-40.7172.4175.20000112.6E120 Y121 V122 M126 K127 R130E120-S124 PolarHBondContact O-N 3.4Å; Y121-S124 WeakPolarHBondContact O-CA 3.45Å; Y121-S124 VanDerWaalsContact O-CB 3.3Å; Y121-S124 WeakPolarHBondContact O-CB 3.18Å; Y121-S124 PolarHBondContact O-N 2.94Å; V122-S124 PolarHBondContact O-N 3.17Å; S124-M126 VanDerWaalsContact C-N 3.35Å; S124-K127 WeakPolarHBondContact O-CG 3.42Å; S124-K127 PolarHBondContact O-N 3.39Å; S124-R130 PolarHBondContact OG-NH1 2.78Å
125L88.9Confident89.8Confident1 Ų165 Ų651%0.00533%0.331CS..Hα-helixtrans-65.7-36.7176.6-68.5174000112.5F86 Y121 V122 K127 F131 L134 I151 M166F86-L125 HydrophobicContact CZ-CD1 4.5Å; Y121-L125 HydrophobicContact CD1-CD1 3.85Å; Y121-L125 HydrophobicContact CD1-CG 4.22Å; Y121-L125 HydrophobicContact CE1-CD1 3.6Å; Y121-L125 HydrophobicContact CE1-CD2 4.26Å; Y121-L125 HydrophobicContact CE1-CG 3.95Å; Y121-L125 PolarHBondContact O-N 3.49Å; V122-L125 WeakPolarHBondContact O-CB 3.38Å; V122-L125 PolarHBondContact O-N 2.91Å; V122-L125 VanDerWaalsContact O-N 3.11Å; L125-K127 PolarHBondContact O-N 2.9Å; L125-F131 WeakPolarHBondContact O-CB 3.49Å; L125-L134 HydrophobicContact CB-CD1 4.18Å; L125-L134 HydrophobicContact CD2-CD1 4.08Å; L125-L134 HydrophobicContact CD2-CD2 4.44Å; L125-I151 HydrophobicContact CD1-CD1 3.57Å; L125-M166 HydrophobicContact CD2-CE 4.13Å; L125-M166 HydrophobicContact CD2-SD 3.92Å
126M87.1Confident89.9Confident45 Ų4560.4 Ų60.422%0.22231%0.31CS..THydrogen-bonded Turntrans-74.30.2-178.2-68.1-176.3-58.400114.6F86 K87 V122 S124 S128F86-M126 HydrophobicContact CD1-CG 4.42Å; F86-M126 HydrophobicContact CE1-CG 4.27Å; K87-M126 HydrophobicContact CD-SD 3.93Å; K87-M126 WeakPolarHBondContact CE-SD 3.33Å; K87-M126 HydrophobicContact CG-SD 3.44Å; K87-M126 WeakPolarHBondContact CG-SD 3.38Å; V122-M126 HydrophobicContact CG1-CE 3.86Å; V122-M126 HydrophobicContact CG1-CG 4.25Å; V122-M126 HydrophobicContact CG1-SD 3.98Å; V122-M126 VanDerWaalsContact O-CG 3.28Å; V122-M126 WeakPolarHBondContact O-CG 3.21Å; V122-M126 PolarHBondContact O-N 3.47Å; S124-M126 VanDerWaalsContact C-N 3.35Å; M126-S128 PolarHBondContact O-N 2.77Å
127K88.6Confident89.9Confident125 Ų12558.4 Ų58.454%0.54330%0.295SS..SBendtrans-62.9126.1173.4-68.8178.1178.9173.10108.7S124 L125 N129 R130 F131S124-K127 WeakPolarHBondContact O-CG 3.42Å; S124-K127 PolarHBondContact O-N 3.39Å; L125-K127 PolarHBondContact O-N 2.9Å; K127-N129 WeakPolarHBondContact CB-OD1 3.06Å; K127-N129 PolarHBondContact O-N 3.35Å; K127-R130 PolarHBondContact O-N 3.39Å; K127-F131 PolarHBondContact O-N 2.84Å
128S74.8Confident89.9Confident109 Ų10956.6 Ų56.676%0.76229%0.288SS*.Hα-helixtrans-57.2-26-168.5-53.80000114.9M126M126-S128 PolarHBondContact O-N 2.77Å
129N83.1Confident89.8Confident118 Ų11856.5 Ų56.563%0.63129%0.289SS*.Hα-helixtrans-76.5-22.2176.964.7-32.6000113.9K127K127-N129 WeakPolarHBondContact CB-OD1 3.06Å; K127-N129 PolarHBondContact O-N 3.35Å
130R88Confident89.7Confident51 Ų5153.2 Ų53.219%0.19228%0.279CS..Hα-helixtrans-102-42.3-177.5-174.8175.8177.4-176.9-4.7111S124 K127 K132 D133 L134 E153S124-R130 PolarHBondContact OG-NH1 2.78Å; K127-R130 PolarHBondContact O-N 3.39Å; R130-K132 VanDerWaalsContact C-N 3.27Å; R130-K132 PolarHBondContact O-N 3.06Å; R130-D133 PolarHBondContact O-N 3.36Å; R130-D133 VanDerWaalsContact O-N 3.16Å; R130-L134 HydrophobicContact CG-CD2 4.48Å; R130-E153 IonicContact CZ-OE1 3.79Å; R130-E153 IonicContact CZ-OE2 3.83Å; R130-E153 IonicContact NE-OE1 2.7Å; R130-E153 PolarHBondContact NE-OE1 2.9Å; R130-E153 IonicContact NE-OE2 3.49Å; R130-E153 PolarHBondContact NE-OE2 3.01Å; R130-E153 IonicContact NH2-OE1 3.95Å; R130-E153 IonicContact NH2-OE2 2.75Å; R130-E153 PolarHBondContact NH2-OE2 2.86Å
131F89.2Confident89.4Confident16 Ų1648.8 Ų48.87%0.0727%0.266CS..Hα-helixtrans-58.6-35.3-174.3-169.9-98.3000114Y80 Q81 V83 F86 L125 K127 D133 L134 F136Y80-F131 WeakPolarHBondContact O-CZ 3.18Å; Q81-F131 WeakPolarHBondContact O-CE1 3.05Å; V83-F131 HydrophobicContact CB-CD1 4.11Å; V83-F131 HydrophobicContact CB-CE1 3.66Å; V83-F131 HydrophobicContact CB-CZ 4.07Å; V83-F131 HydrophobicContact CG2-CD1 4.34Å; V83-F131 HydrophobicContact CG2-CE1 4.15Å; V83-F131 HydrophobicContact CG2-CZ 4.28Å; F86-F131 HydrophobicContact CB-CE2 4.06Å; F86-F131 HydrophobicContact CB-CZ 3.78Å; F86-F131 HydrophobicContact CD1-CD2 4.41Å; F86-F131 AromaticContact CD1-CE2 3.41Å; F86-F131 HydrophobicContact CD1-CE2 3.41Å; F86-F131 VanDerWaalsContact CD1-CE2 3.41Å; F86-F131 HydrophobicContact CD1-CZ 4.03Å; F86-F131 AromaticContact CE1-CE2 3.94Å; F86-F131 HydrophobicContact CE1-CE2 3.94Å; F86-F131 AromaticContact CG-CE2 3.76Å; F86-F131 HydrophobicContact CG-CE2 3.76Å; F86-F131 HydrophobicContact CG-CZ 4.01Å; L125-F131 WeakPolarHBondContact O-CB 3.49Å; K127-F131 PolarHBondContact O-N 2.84Å; F131-D133 PolarHBondContact O-N 2.95Å; F131-L134 HydrophobicContact CD2-CD1 3.87Å; F131-L134 HydrophobicContact CE2-CD1 4.44Å; F131-L134 WeakPolarHBondContact O-CB 3.45Å; F131-L134 PolarHBondContact O-N 2.69Å; F131-F136 HydrophobicContact CE2-CE2 4.49Å; F131-F136 AromaticContact CE2-CZ 3.76Å; F131-F136 HydrophobicContact CE2-CZ 3.76Å; F131-F136 HydrophobicContact CZ-CE2 4.3Å; F131-F136 AromaticContact CZ-CZ 3.97Å; F131-F136 HydrophobicContact CZ-CZ 3.97Å
132K87.7Confident88.9Confident142 Ų14257.6 Ų57.662%0.61731%0.307SS*.THydrogen-bonded Turntrans-66.4-24.3-177.966.2173.1-168.7166.50113.8R130R130-K132 VanDerWaalsContact C-N 3.27Å; R130-K132 PolarHBondContact O-N 3.06Å
133D90.6Very high88.6Confident93 Ų9362.4 Ų62.450%0.49733%0.329SS..THydrogen-bonded Turntrans-101.84.3-177.4-53.1-58.5000111R130 F131R130-D133 PolarHBondContact O-N 3.36Å; R130-D133 VanDerWaalsContact O-N 3.16Å; F131-D133 PolarHBondContact O-N 2.95Å
134L93.5Very high88.2Confident0 Ų059.9 Ų59.90%031%0.312CS..  trans-78.9134.2174.6-60.8-179.8000110.2Q81 L125 R130 F131 F136 I151 L152 E153 M166Q81-L134 PolarHBondContact NE2-O 3.49Å; L125-L134 HydrophobicContact CB-CD1 4.18Å; L125-L134 HydrophobicContact CD2-CD1 4.08Å; L125-L134 HydrophobicContact CD2-CD2 4.44Å; R130-L134 HydrophobicContact CG-CD2 4.48Å; F131-L134 HydrophobicContact CD2-CD1 3.87Å; F131-L134 HydrophobicContact CE2-CD1 4.44Å; F131-L134 WeakPolarHBondContact O-CB 3.45Å; F131-L134 PolarHBondContact O-N 2.69Å; L134-F136 HydrophobicContact CB-CE2 4.09Å; L134-F136 HydrophobicContact CB-CZ 3.9Å; L134-F136 HydrophobicContact CD1-CZ 4.29Å; L134-I151 HydrophobicContact CB-CG2 4.12Å; L134-I151 HydrophobicContact CD1-CG2 3.91Å; L134-I151 HydrophobicContact CD2-CG2 3.97Å; L134-I151 HydrophobicContact CG-CG2 4.21Å; L134-L152 WeakPolarHBondContact CA-O 3.37Å; L134-E153 HydrophobicContact CD2-CB 3.74Å; L134-E153 HydrophobicContact CD2-CG 4.08Å; L134-M166 HydrophobicContact CD2-CE 4.01Å
135E94.3Very high87.8Confident65 Ų6563.6 Ų63.630%0.30433%0.332SS..EExtended strand (participates in β ladder)trans-105.2147.6168.4-62.3-176.5143.300108.9Y137 I151 L152E135-Y137 HydrophobicContact CB-CD2 4.45Å; E135-Y137 HydrophobicContact CB-CE2 3.66Å; E135-Y137 PolarHBondContact OE2-OH 3.18Å; E135-I151 CarbonylContact O-C 3.52Å; E135-I151 WeakPolarHBondContact O-CA 3.39Å; E135-L152 HydrophobicContact CB-CB 4.21Å; E135-L152 HydrophobicContact CB-CD2 4.46Å; E135-L152 PolarHBondContact N-O 2.93Å; E135-L152 PolarHBondContact O-N 3.18Å; E135-L152 WeakPolarHBondContact OE2-CD2 3.5Å
136F94.7Very high87.6Confident2 Ų268.1 Ų68.11%0.00935%0.353CS..EExtended strand (participates in β ladder)trans-123.1136.4-175.2-62.3-79.3000109.5S76 M77 Y80 Q81 F86 F131 L134 L149 G150 I151S76-F136 CarbonylContact C-O 3.5Å; S76-F136 WeakPolarHBondContact CA-O 3.38Å; M77-F136 HydrophobicContact CB-CB 4.46Å; M77-F136 PolarHBondContact N-O 3.47Å; Y80-F136 VanDerWaalsContact C-CE2 3.47Å; Y80-F136 HydrophobicContact CD2-CB 4.38Å; Y80-F136 WeakPolarHBondContact O-CE2 3.24Å; Q81-F136 HydrophobicContact CG-CD2 4.08Å; Q81-F136 HydrophobicContact CG-CE2 4.16Å; F86-F136 HydrophobicContact CD2-CD1 4.34Å; F86-F136 AromaticContact CD2-CE1 3.6Å; F86-F136 HydrophobicContact CD2-CE1 3.6Å; F86-F136 HydrophobicContact CD2-CZ 4.02Å; F86-F136 HydrophobicContact CE2-CD1 4.32Å; F86-F136 AromaticContact CE2-CE1 3.54Å; F86-F136 HydrophobicContact CE2-CE1 3.54Å; F86-F136 HydrophobicContact CE2-CZ 4.26Å; F86-F136 HydrophobicContact CG-CE1 4.39Å; F86-F136 HydrophobicContact CG-CZ 4.39Å; F86-F136 HydrophobicContact CZ-CE1 4.27Å; F131-F136 HydrophobicContact CE2-CE2 4.49Å; F131-F136 AromaticContact CE2-CZ 3.76Å; F131-F136 HydrophobicContact CE2-CZ 3.76Å; F131-F136 HydrophobicContact CZ-CE2 4.3Å; F131-F136 AromaticContact CZ-CZ 3.97Å; F131-F136 HydrophobicContact CZ-CZ 3.97Å; L134-F136 HydrophobicContact CB-CE2 4.09Å; L134-F136 HydrophobicContact CB-CZ 3.9Å; L134-F136 HydrophobicContact CD1-CZ 4.29Å; F136-L149 HydrophobicContact CB-CD1 4.14Å; F136-L149 HydrophobicContact CB-CD2 3.9Å; F136-L149 HydrophobicContact CB-CG 4.03Å; F136-L149 HydrophobicContact CD1-CD2 3.32Å; F136-L149 HydrophobicContact CD1-CG 3.98Å; F136-L149 HydrophobicContact CE1-CD2 4.11Å; F136-L149 HydrophobicContact CG-CD2 3.87Å; F136-L149 HydrophobicContact CG-CG 4.44Å; F136-G150 CarbonylContact C-O 3.58Å; F136-G150 WeakPolarHBondContact CA-O 3.5Å; F136-I151 HydrophobicContact CD1-CB 4.47Å; F136-I151 HydrophobicContact CD1-CG1 4Å; F136-I151 HydrophobicContact CD1-CG2 4.23Å; F136-I151 HydrophobicContact CE1-CB 4.46Å; F136-I151 HydrophobicContact CE1-CD1 4.28Å; F136-I151 HydrophobicContact CE1-CG1 3.98Å; F136-I151 HydrophobicContact CE1-CG2 3.88Å
137Y94.6Very high87.6Confident28 Ų2866.1 Ų66.111%0.1134%0.344CS..EExtended strand (participates in β ladder)trans-135.3146.9-175.1-68.5-85.2000110.8I69 L74 V75 E135 L149 G150 L152I69-Y137 HydrophobicContact CB-CE1 4.44Å; I69-Y137 HydrophobicContact CD1-CD1 3.81Å; I69-Y137 HydrophobicContact CD1-CD2 3.67Å; I69-Y137 HydrophobicContact CD1-CE1 4.06Å; I69-Y137 HydrophobicContact CD1-CE2 3.9Å; I69-Y137 HydrophobicContact CD1-CG 3.61Å; I69-Y137 HydrophobicContact CG1-CD1 4.29Å; I69-Y137 HydrophobicContact CG1-CD2 4.43Å; I69-Y137 HydrophobicContact CG1-CE1 4.05Å; I69-Y137 HydrophobicContact CG1-CE2 4.18Å; I69-Y137 HydrophobicContact CG1-CG 4.48Å; I69-Y137 HydrophobicContact CG2-CD1 3.83Å; I69-Y137 HydrophobicContact CG2-CE1 3.53Å; L74-Y137 HydrophobicContact CB-CD1 4.21Å; L74-Y137 HydrophobicContact CB-CG 4.48Å; V75-Y137 CarbonylContact O-C 3.56Å; V75-Y137 VanDerWaalsContact O-CA 3.25Å; V75-Y137 WeakPolarHBondContact O-CA 3.43Å; E135-Y137 HydrophobicContact CB-CD2 4.45Å; E135-Y137 HydrophobicContact CB-CE2 3.66Å; E135-Y137 PolarHBondContact OE2-OH 3.18Å; Y137-L149 CarbonylContact O-C 3.58Å; Y137-L149 WeakPolarHBondContact O-CD1 3.14Å; Y137-G150 PolarHBondContact N-O 2.77Å; Y137-G150 PolarHBondContact O-N 2.89Å; Y137-L152 HydrophobicContact CD2-CB 3.95Å; Y137-L152 HydrophobicContact CE2-CB 3.75Å; Y137-L152 HydrophobicContact CE2-CD1 4.11Å; Y137-L152 HydrophobicContact CE2-CG 4.37Å
138T94Very high87.8Confident11 Ų1160.2 Ų60.27%0.06732%0.319CS..EExtended strand (participates in β ladder)trans-124.6166.2171.7-164.40000110.9L74 V75 M77 A144L74-T138 CarbonylContact C-O 3.51Å; L74-T138 WeakPolarHBondContact CA-O 3.18Å; V75-T138 HydrophobicContact CB-CG2 4.11Å; V75-T138 PolarHBondContact N-O 2.84Å; V75-T138 PolarHBondContact O-N 3.34Å; M77-T138 HydrophobicContact CE-CG2 3.97Å; M77-T138 HydrophobicContact CG-CG2 3.62Å; M77-T138 HydrophobicContact SD-CG2 3.98Å; T138-A144 HydrophobicContact CG2-CB 4.15Å; T138-A144 WeakPolarHBondContact OG1-CB 3.41Å; T138-A144 PolarHBondContact OG1-O 2.94Å
139G90.3Very high88.7Confident3 Ų355.3 Ų55.33%0.03128%0.284CS..  trans-60.2158.217400000112.4G141 A144G139-G141 VanDerWaalsContact C-N 3.3Å; G139-G141 PolarHBondContact O-N 2.94Å; G139-A144 WeakPolarHBondContact O-CB 3.44Å
140P89.3Confident89.2Confident67 Ų6749.8 Ų49.844%0.43526%0.255SS..SBendtrans-74.5-18.1179.129.2-34.5000113.8Q73Q73-P140 HydrophobicContact CB-CB 4.41Å
141G85.8Confident89.5Confident28 Ų2848 Ų4829%0.28925%0.249SC..SBendtrans-70.2163.4-174.900000114.8D11 G139 E143 A144D11-G141 VanDerWaalsContact OD1-CA 3.25Å; D11-G141 WeakPolarHBondContact OD1-CA 3.21Å; D11-G141 PolarHBondContact OD1-N 3.03Å; G139-G141 VanDerWaalsContact C-N 3.3Å; G139-G141 PolarHBondContact O-N 2.94Å; G141-E143 VanDerWaalsContact C-N 3.26Å; G141-E143 PolarHBondContact O-N 2.77Å; G141-A144 WeakPolarHBondContact O-CB 3.43Å; G141-A144 PolarHBondContact O-N 3.35Å; G141-A144 VanDerWaalsContact O-N 3.17Å
142E80.8Confident89.8Confident197 Ų19747.3 Ų47.392%0.92125%0.246SC*.G310 helixtrans-67-29.2177.2-64.1-17892.200112.3A144E142-A144 PolarHBondContact O-N 3.42Å
143E85.4Confident90.1Very high115 Ų11541.6 Ų41.654%0.53722%0.222SC..G310 helixtrans-810.3177.1-62.9-101.286.200112.2S9 G141 V145 E146S9-E143 VanDerWaalsContact CB-O 3.26Å; S9-E143 WeakPolarHBondContact CB-O 3.39Å; G141-E143 VanDerWaalsContact C-N 3.26Å; G141-E143 PolarHBondContact O-N 2.77Å; E143-V145 PolarHBondContact O-N 2.98Å; E143-E146 WeakPolarHBondContact O-CB 3.48Å; E143-E146 PolarHBondContact O-N 3.38Å
144A80.4Confident90.2Very high6 Ų640.5 Ų40.55%0.0521%0.211CC..G310 helixtrans-62.5-18.2-176.100000113.8T138 G139 G141 E142 E146 G147T138-A144 HydrophobicContact CG2-CB 4.15Å; T138-A144 WeakPolarHBondContact OG1-CB 3.41Å; T138-A144 PolarHBondContact OG1-O 2.94Å; G139-A144 WeakPolarHBondContact O-CB 3.44Å; G141-A144 WeakPolarHBondContact O-CB 3.43Å; G141-A144 PolarHBondContact O-N 3.35Å; G141-A144 VanDerWaalsContact O-N 3.17Å; E142-A144 PolarHBondContact O-N 3.42Å; A144-E146 VanDerWaalsContact C-N 3.26Å; A144-E146 PolarHBondContact O-N 3.2Å; A144-G147 PolarHBondContact O-N 3.08Å
145V82.6Confident90.1Very high113 Ų11342.7 Ų42.769%0.68522%0.219SC*.G310 helixtrans-66.2-29.5171.766.70000112.6E143E143-V145 PolarHBondContact O-N 2.98Å
146E85.1Confident90Very high96 Ų9644.8 Ų44.845%0.44923%0.233SC..THydrogen-bonded Turntrans-86.1-14179.8-75.6-104.291.400112.7F8 K96 E143 A144F8-E146 WeakPolarHBondContact CB-O 3.42Å; K96-E146 PolarHBondContact NZ-O 3.17Å; K96-E146 VanDerWaalsContact NZ-O 3.13Å; K96-E146 IonicContact NZ-OE1 3.71Å; K96-E146 PolarHBondContact NZ-OE1 2.79Å; K96-E146 IonicContact NZ-OE2 2.67Å; K96-E146 PolarHBondContact NZ-OE2 3.29Å; E143-E146 WeakPolarHBondContact O-CB 3.48Å; E143-E146 PolarHBondContact O-N 3.38Å; A144-E146 VanDerWaalsContact C-N 3.26Å; A144-E146 PolarHBondContact O-N 3.2Å
147G87.6Confident89.6Confident3 Ų348 Ų483%0.03125%0.246CC..SBendtrans-89.1-177.4-173.300000115.2D6 A144D6-G147 WeakPolarHBondContact OD1-CA 3.16Å; A144-G147 PolarHBondContact O-N 3.08Å
148Q93Very high89.2Confident2 Ų255 Ų551%0.00929%0.286CS..PPolyproline II helixtrans-71.4143175.6-170.7173.3-99.200112.3D6 L13 W89 Y93 L167 I168D6-Q148 WeakPolarHBondContact OD2-CB 3.28Å; D6-Q148 PolarHBondContact OD2-N 2.88Å; L13-Q148 HydrophobicContact CD1-CB 4.23Å; W89-Q148 HydrophobicContact CH2-CG 4.48Å; Y93-Q148 HydrophobicContact CE1-CB 4.49Å; Y93-Q148 HydrophobicContact CE1-CG 4.26Å; Y93-Q148 HydrophobicContact CE2-CB 4.01Å; Y93-Q148 WeakPolarHBondContact OH-CB 3.45Å; Q148-L167 VanDerWaalsContact NE2-CB 3.32Å; Q148-L167 VanDerWaalsContact NE2-CD2 3.31Å; Q148-I168 VanDerWaalsContact CD-N 3.33Å; Q148-I168 VanDerWaalsContact OE1-CA 3.27Å; Q148-I168 PolarHBondContact OE1-O 3.37Å
149L92.7Very high88.8Confident6 Ų657.5 Ų57.53%0.03131%0.313CS..PPolyproline II helixtrans-85.5117.8166.4-160.871000110.1M77 Y80 F86 W89 F136 Y137M77-L149 HydrophobicContact CB-CD1 4.18Å; M77-L149 HydrophobicContact CG-CD1 4.42Å; Y80-L149 HydrophobicContact CD1-CD2 4.05Å; Y80-L149 HydrophobicContact CD2-CD1 3.49Å; Y80-L149 VanDerWaalsContact CD2-CD1 3.49Å; Y80-L149 HydrophobicContact CD2-CD2 3.51Å; Y80-L149 HydrophobicContact CD2-CG 4.16Å; Y80-L149 HydrophobicContact CE2-CD1 3.49Å; Y80-L149 VanDerWaalsContact CE2-CD1 3.49Å; Y80-L149 HydrophobicContact CE2-CD2 4.04Å; Y80-L149 HydrophobicContact CE2-CG 4.42Å; Y80-L149 HydrophobicContact CG-CD1 4.36Å; Y80-L149 HydrophobicContact CG-CD2 3.5Å; F86-L149 HydrophobicContact CD2-CD2 4.24Å; F86-L149 HydrophobicContact CE2-CD2 4.36Å; W89-L149 HydrophobicContact CD2-CB 4.26Å; W89-L149 HydrophobicContact CD2-CD2 4.37Å; W89-L149 HydrophobicContact CE3-CB 4.22Å; W89-L149 HydrophobicContact CE3-CD2 4.19Å; W89-L149 HydrophobicContact CH2-CB 3.38Å; W89-L149 HydrophobicContact CZ2-CB 3.39Å; W89-L149 HydrophobicContact CZ3-CB 3.8Å; W89-L149 HydrophobicContact CZ3-CD2 4.36Å; F136-L149 HydrophobicContact CB-CD1 4.14Å; F136-L149 HydrophobicContact CB-CD2 3.9Å; F136-L149 HydrophobicContact CB-CG 4.03Å; F136-L149 HydrophobicContact CD1-CD2 3.32Å; F136-L149 HydrophobicContact CD1-CG 3.98Å; F136-L149 HydrophobicContact CE1-CD2 4.11Å; F136-L149 HydrophobicContact CG-CD2 3.87Å; F136-L149 HydrophobicContact CG-CG 4.44Å; Y137-L149 CarbonylContact O-C 3.58Å; Y137-L149 WeakPolarHBondContact O-CD1 3.14Å
150G93.8Very high88.7Confident2 Ų263 Ų632%0.02134%0.339CS..EExtended strand (participates in β ladder)trans-70129.416600000110.2F136 Y137F136-G150 CarbonylContact C-O 3.58Å; F136-G150 WeakPolarHBondContact CA-O 3.5Å; Y137-G150 PolarHBondContact N-O 2.77Å; Y137-G150 PolarHBondContact O-N 2.89Å
151I95.2Very high88.8Confident14 Ų1466.5 Ų66.57%0.07235%0.349CS..EExtended strand (participates in β ladder)trans-110.6120.7179.3-49.1176.9000107.4F86 L125 L134 E135 F136 M166F86-I151 HydrophobicContact CE2-CD1 3.84Å; F86-I151 HydrophobicContact CZ-CD1 3.77Å; L125-I151 HydrophobicContact CD1-CD1 3.57Å; L134-I151 HydrophobicContact CB-CG2 4.12Å; L134-I151 HydrophobicContact CD1-CG2 3.91Å; L134-I151 HydrophobicContact CD2-CG2 3.97Å; L134-I151 HydrophobicContact CG-CG2 4.21Å; E135-I151 CarbonylContact O-C 3.52Å; E135-I151 WeakPolarHBondContact O-CA 3.39Å; F136-I151 HydrophobicContact CD1-CB 4.47Å; F136-I151 HydrophobicContact CD1-CG1 4Å; F136-I151 HydrophobicContact CD1-CG2 4.23Å; F136-I151 HydrophobicContact CE1-CB 4.46Å; F136-I151 HydrophobicContact CE1-CD1 4.28Å; F136-I151 HydrophobicContact CE1-CG1 3.98Å; F136-I151 HydrophobicContact CE1-CG2 3.88Å; I151-M166 HydrophobicContact CB-CB 4.33Å; I151-M166 HydrophobicContact CB-CE 3.91Å; I151-M166 HydrophobicContact CG2-CE 3.55Å; I151-M166 PolarHBondContact N-O 3.11Å; I151-M166 VanDerWaalsContact N-O 3.14Å; I151-M166 WeakPolarHBondContact O-CB 3.24Å; I151-M166 VanDerWaalsContact O-CE 3.27Å; I151-M166 WeakPolarHBondContact O-CE 3.45Å; I151-M166 PolarHBondContact O-N 3.49Å
152L95.1Very high89.2Confident0 Ų067.7 Ų67.70%035%0.346CS..EExtended strand (participates in β ladder)trans-108.8137.6-179.4-169.1139.1000110.2V66 I69 L134 E135 Y137 Y154 P163 V164 L165V66-L152 HydrophobicContact CB-CD1 4.24Å; V66-L152 HydrophobicContact CG1-CD1 4.07Å; V66-L152 HydrophobicContact CG2-CD1 4Å; V66-L152 HydrophobicContact CG2-CD2 4.37Å; I69-L152 HydrophobicContact CD1-CD1 3.93Å; I69-L152 HydrophobicContact CG1-CD1 3.94Å; L134-L152 WeakPolarHBondContact CA-O 3.37Å; E135-L152 HydrophobicContact CB-CB 4.21Å; E135-L152 HydrophobicContact CB-CD2 4.46Å; E135-L152 PolarHBondContact N-O 2.93Å; E135-L152 PolarHBondContact O-N 3.18Å; E135-L152 WeakPolarHBondContact OE2-CD2 3.5Å; Y137-L152 HydrophobicContact CD2-CB 3.95Å; Y137-L152 HydrophobicContact CE2-CB 3.75Å; Y137-L152 HydrophobicContact CE2-CD1 4.11Å; Y137-L152 HydrophobicContact CE2-CG 4.37Å; L152-Y154 HydrophobicContact CD2-CD2 4.03Å; L152-Y154 HydrophobicContact CD2-CE2 3.52Å; L152-P163 HydrophobicContact CD1-CB 4.18Å; L152-P163 HydrophobicContact CD2-CB 4.03Å; L152-P163 HydrophobicContact CG-CB 4.29Å; L152-V164 WeakPolarHBondContact CA-O 3.19Å; L152-L165 HydrophobicContact CB-CD1 4.44Å
153E93.9Very high89.9Confident23 Ų2358.4 Ų58.411%0.10730%0.303CS..EExtended strand (participates in β ladder)trans-139.7136.1178.7177.9-175.6138.100109.2R130 L134 R155 V164 M166R130-E153 IonicContact CZ-OE1 3.79Å; R130-E153 IonicContact CZ-OE2 3.83Å; R130-E153 IonicContact NE-OE1 2.7Å; R130-E153 PolarHBondContact NE-OE1 2.9Å; R130-E153 IonicContact NE-OE2 3.49Å; R130-E153 PolarHBondContact NE-OE2 3.01Å; R130-E153 IonicContact NH2-OE1 3.95Å; R130-E153 IonicContact NH2-OE2 2.75Å; R130-E153 PolarHBondContact NH2-OE2 2.86Å; L134-E153 HydrophobicContact CD2-CB 3.74Å; L134-E153 HydrophobicContact CD2-CG 4.08Å; E153-R155 HydrophobicContact CG-CG 4.04Å; E153-R155 WeakPolarHBondContact OE1-CD 3.45Å; E153-R155 VanDerWaalsContact OE1-CG 3.24Å; E153-R155 WeakPolarHBondContact OE1-CG 3.43Å; E153-R155 IonicContact OE1-CZ 3.77Å; E153-R155 IonicContact OE1-NE 2.76Å; E153-R155 PolarHBondContact OE1-NE 3.21Å; E153-R155 IonicContact OE1-NH2 3.66Å; E153-R155 IonicContact OE2-NE 3.92Å; E153-R155 IonicContact OE2-NH2 2.66Å; E153-V164 PolarHBondContact N-O 3.38Å; E153-V164 PolarHBondContact O-N 3.03Å; E153-M166 HydrophobicContact CB-CE 3.61Å
154Y92.7Very high90.3Very high69 Ų6952.9 Ų52.927%0.27128%0.277SS..EExtended strand (participates in β ladder)trans-84.5124.2170.8-68.6-93.6000109.6Y34 V66 L152 E161 P163Y34-Y154 HydrophobicContact CD2-CE1 4.46Å; V66-Y154 WeakPolarHBondContact CG2-OH 3.32Å; L152-Y154 HydrophobicContact CD2-CD2 4.03Å; L152-Y154 HydrophobicContact CD2-CE2 3.52Å; Y154-E161 WeakPolarHBondContact CB-OE1 3.49Å; Y154-P163 HydrophobicContact CD1-CB 4.17Å; Y154-P163 HydrophobicContact CE1-CB 3.84Å; Y154-P163 HydrophobicContact CE1-CG 4.41Å
155R92Very high91.1Very high47 Ų4752.6 Ų52.618%0.17728%0.275CS..EExtended strand (participates in β ladder)trans-123.4143.8177.2-66.3-176.4-163.8154.410.9110.5E29 E153 F157 K162 V164 M166E29-R155 IonicContact OE1-CZ 3.87Å; E29-R155 VanDerWaalsContact OE1-CZ 3.27Å; E29-R155 IonicContact OE1-NH1 2.7Å; E29-R155 PolarHBondContact OE1-NH1 3.06Å; E29-R155 IonicContact OE1-NH2 3.11Å; E29-R155 PolarHBondContact OE1-NH2 3.27Å; E29-R155 IonicContact OE2-CZ 2.81Å; E29-R155 IonicContact OE2-NH1 3.66Å; E29-R155 PolarHBondContact OE2-NH1 2.92Å; E29-R155 IonicContact OE2-NH2 3.95Å; E153-R155 HydrophobicContact CG-CG 4.04Å; E153-R155 WeakPolarHBondContact OE1-CD 3.45Å; E153-R155 VanDerWaalsContact OE1-CG 3.24Å; E153-R155 WeakPolarHBondContact OE1-CG 3.43Å; E153-R155 IonicContact OE1-CZ 3.77Å; E153-R155 IonicContact OE1-NE 2.76Å; E153-R155 PolarHBondContact OE1-NE 3.21Å; E153-R155 IonicContact OE1-NH2 3.66Å; E153-R155 IonicContact OE2-NE 3.92Å; E153-R155 IonicContact OE2-NH2 2.66Å; R155-F157 HydrophobicContact CB-CD2 4.2Å; R155-F157 HydrophobicContact CB-CE2 3.7Å; R155-F157 HydrophobicContact CB-CZ 4.43Å; R155-F157 WeakPolarHBondContact O-CD2 3.25Å; R155-K162 PolarHBondContact N-O 3.16Å; R155-K162 PolarHBondContact O-N 3.31Å; R155-V164 HydrophobicContact CB-CG2 4.27Å; R155-V164 HydrophobicContact CG-CG2 4.27Å; R155-M166 PolarHBondContact NH2-SD 2.96Å
156D90.2Very high91.7Very high109 Ų10947.4 Ų47.458%0.58324%0.243SC*.EExtended strand (participates in β ladder)trans-74.5125.1171-173.5-89.3000110.2G159D156-G159 PolarHBondContact OD1-N 3.26Å; D156-G159 WeakPolarHBondContact OD2-CA 3.47Å; D156-G159 PolarHBondContact OD2-N 3.32Å
157F87.3Confident92.2Very high68 Ų6843 Ų4330%0.29822%0.222SC..EExtended strand (participates in β ladder)trans-122.799169.8-70.2-94.9000108.2I31 R155 G159 E160 K162 V164I31-F157 HydrophobicContact CD1-CE1 3.99Å; I31-F157 HydrophobicContact CD1-CZ 3.87Å; I31-F157 HydrophobicContact CG1-CZ 4.26Å; R155-F157 HydrophobicContact CB-CD2 4.2Å; R155-F157 HydrophobicContact CB-CE2 3.7Å; R155-F157 HydrophobicContact CB-CZ 4.43Å; R155-F157 WeakPolarHBondContact O-CD2 3.25Å; F157-G159 VanDerWaalsContact C-N 3.3Å; F157-G159 PolarHBondContact O-N 2.87Å; F157-E160 PolarHBondContact N-O 2.79Å; F157-E160 PolarHBondContact O-N 3.29Å; F157-E160 VanDerWaalsContact O-N 3.15Å; F157-K162 HydrophobicContact CB-CD 4.31Å; F157-K162 HydrophobicContact CD2-CB 3.88Å; F157-K162 HydrophobicContact CD2-CD 4.32Å; F157-K162 HydrophobicContact CD2-CG 4.4Å; F157-K162 HydrophobicContact CE2-CB 4.25Å; F157-V164 HydrophobicContact CE2-CG2 3.73Å; F157-V164 HydrophobicContact CZ-CG2 4.04Å
158D86.5Confident92.6Very high177 Ų17743.8 Ų43.895%0.94723%0.226SC*.THydrogen-bonded Turntrans56.140.3179.7-70.3-93.4000113.1E160D158-E160 VanDerWaalsContact C-N 3.34Å
159G85.6Confident92.6Very high62 Ų6246.6 Ų46.664%0.63924%0.238SC*.THydrogen-bonded Turntrans85.8-1.5-179.900000115.2D156 F157D156-G159 PolarHBondContact OD1-N 3.26Å; D156-G159 WeakPolarHBondContact OD2-CA 3.47Å; D156-G159 PolarHBondContact OD2-N 3.32Å; F157-G159 VanDerWaalsContact C-N 3.3Å; F157-G159 PolarHBondContact O-N 2.87Å
160E87.8Confident92.6Very high120 Ų12047.6 Ų47.656%0.56124%0.243SC*.EExtended strand (participates in β ladder)trans-102.5120.7168.1-87.7-179.657.200110.7F157 D158 K162F157-E160 PolarHBondContact N-O 2.79Å; F157-E160 PolarHBondContact O-N 3.29Å; F157-E160 VanDerWaalsContact O-N 3.15Å; D158-E160 VanDerWaalsContact C-N 3.34Å; E160-K162 PolarHBondContact O-N 3.12Å; E160-K162 WeakPolarHBondContact OE1-CE 3.34Å; E160-K162 IonicContact OE1-NZ 2.69Å; E160-K162 PolarHBondContact OE1-NZ 3.08Å
161E91.6Very high92.6Very high140 Ų14047.5 Ų47.565%0.65424%0.242SC*.EExtended strand (participates in β ladder)trans-74.1116.4172.2-137.4-176.594.200109.9Y154Y154-E161 WeakPolarHBondContact CB-OE1 3.49Å
162K93.7Very high92.5Very high53 Ų5347.6 Ų47.623%0.2324%0.242CC..EExtended strand (participates in β ladder)trans-120.5136.5-178.8-66178.7178.5159.50111.1I31 R155 F157 E160I31-K162 HydrophobicContact CG2-CB 3.99Å; I31-K162 HydrophobicContact CG2-CD 4.1Å; R155-K162 PolarHBondContact N-O 3.16Å; R155-K162 PolarHBondContact O-N 3.31Å; F157-K162 HydrophobicContact CB-CD 4.31Å; F157-K162 HydrophobicContact CD2-CB 3.88Å; F157-K162 HydrophobicContact CD2-CD 4.32Å; F157-K162 HydrophobicContact CD2-CG 4.4Å; F157-K162 HydrophobicContact CE2-CB 4.25Å; E160-K162 PolarHBondContact O-N 3.12Å; E160-K162 WeakPolarHBondContact OE1-CE 3.34Å; E160-K162 IonicContact OE1-NZ 2.69Å; E160-K162 PolarHBondContact OE1-NZ 3.08Å
163P95.1Very high92.3Very high1 Ų150.8 Ų50.81%0.00626%0.262CS..EExtended strand (participates in β ladder)trans-71.4133.317430.3-34.4000110.2G32 V66 L152 Y154G32-P163 PolarHBondContact N-O 3.47Å; V66-P163 HydrophobicContact CB-CB 4.26Å; V66-P163 HydrophobicContact CB-CG 4.16Å; V66-P163 HydrophobicContact CG1-CB 3.75Å; V66-P163 HydrophobicContact CG1-CG 3.51Å; V66-P163 HydrophobicContact CG2-CB 3.5Å; V66-P163 HydrophobicContact CG2-CG 3.69Å; L152-P163 HydrophobicContact CD1-CB 4.18Å; L152-P163 HydrophobicContact CD2-CB 4.03Å; L152-P163 HydrophobicContact CG-CB 4.29Å; Y154-P163 HydrophobicContact CD1-CB 4.17Å; Y154-P163 HydrophobicContact CE1-CB 3.84Å; Y154-P163 HydrophobicContact CE1-CG 4.41Å
164V95.5Very high92.2Very high0 Ų054.7 Ų54.70%028%0.28CS..EExtended strand (participates in β ladder)trans-119.4110.1177.5-176.30000108.6E29 F30 I31 L152 E153 R155 F157 M166E29-V164 HydrophobicContact CB-CG1 3.73Å; E29-V164 HydrophobicContact CG-CG1 4.28Å; F30-V164 CarbonylContact O-C 3.59Å; F30-V164 WeakPolarHBondContact O-CA 3.37Å; I31-V164 HydrophobicContact CG1-CG2 4.39Å; L152-V164 WeakPolarHBondContact CA-O 3.19Å; E153-V164 PolarHBondContact N-O 3.38Å; E153-V164 PolarHBondContact O-N 3.03Å; R155-V164 HydrophobicContact CB-CG2 4.27Å; R155-V164 HydrophobicContact CG-CG2 4.27Å; F157-V164 HydrophobicContact CE2-CG2 3.73Å; F157-V164 HydrophobicContact CZ-CG2 4.04Å; V164-M166 HydrophobicContact CG1-CG 4.36Å
165L96Very high92.1Very high0 Ų055.5 Ų55.50%029%0.286CS..EExtended strand (participates in β ladder)trans-84.3124.4172.8-178.569.2000109.6E29 F30 I68 I69 L74 L152 L167E29-L165 CarbonylContact C-O 3.52Å; E29-L165 WeakPolarHBondContact CA-O 3.33Å; F30-L165 HydrophobicContact CB-CB 4.39Å; F30-L165 PolarHBondContact N-O 2.95Å; F30-L165 PolarHBondContact O-N 3.28Å; I68-L165 HydrophobicContact CD1-CB 4.09Å; I68-L165 HydrophobicContact CG2-CD2 3.55Å; I69-L165 HydrophobicContact CD1-CD1 4.44Å; L74-L165 HydrophobicContact CD1-CD2 4.26Å; L152-L165 HydrophobicContact CB-CD1 4.44Å; L165-L167 HydrophobicContact CD1-CD2 4.47Å; L165-L167 HydrophobicContact CD2-CD1 4.02Å; L165-L167 HydrophobicContact CD2-CD2 4.32Å; L165-L167 HydrophobicContact CD2-CG 4.19Å; L165-L167 HydrophobicContact CG-CD1 4.48Å; L165-L167 HydrophobicContact CG-CD2 4.26Å; L165-L167 HydrophobicContact CG-CG 4.13Å
166M95.3Very high91.9Very high4 Ų461.8 Ų61.82%0.0232%0.315CS..EExtended strand (participates in β ladder)trans-108.5123-178.5-59.3169-82.700109.3V27 Y28 E29 Y121 L125 L134 I151 E153 R155 V164V27-M166 HydrophobicContact CG1-CB 3.98Å; Y28-M166 WeakPolarHBondContact O-CA 3.44Å; E29-M166 HydrophobicContact CG-CG 4.14Å; Y121-M166 PolarHBondContact OH-SD 2.87Å; L125-M166 HydrophobicContact CD2-CE 4.13Å; L125-M166 HydrophobicContact CD2-SD 3.92Å; L134-M166 HydrophobicContact CD2-CE 4.01Å; I151-M166 HydrophobicContact CB-CB 4.33Å; I151-M166 HydrophobicContact CB-CE 3.91Å; I151-M166 HydrophobicContact CG2-CE 3.55Å; I151-M166 PolarHBondContact N-O 3.11Å; I151-M166 VanDerWaalsContact N-O 3.14Å; I151-M166 WeakPolarHBondContact O-CB 3.24Å; I151-M166 VanDerWaalsContact O-CE 3.27Å; I151-M166 WeakPolarHBondContact O-CE 3.45Å; I151-M166 PolarHBondContact O-N 3.49Å; E153-M166 HydrophobicContact CB-CE 3.61Å; R155-M166 PolarHBondContact NH2-SD 2.96Å; V164-M166 HydrophobicContact CG1-CG 4.36Å
167L95.5Very high91.1Very high2 Ų262.3 Ų62.31%0.0133%0.325CS..EExtended strand (participates in β ladder)trans-129.3137.9-179.2-61.6177.7000109.8L13 C14 V27 Y28 F30 Q148 L165 K169 L172L13-L167 HydrophobicContact CB-CD1 3.85Å; L13-L167 HydrophobicContact CB-CD2 4.4Å; L13-L167 HydrophobicContact CD1-CD2 4.06Å; C14-L167 HydrophobicContact CB-CD1 3.94Å; V27-L167 CarbonylContact C-O 3.57Å; V27-L167 WeakPolarHBondContact CA-O 3.26Å; Y28-L167 PolarHBondContact N-O 3.1Å; Y28-L167 PolarHBondContact O-N 3.16Å; F30-L167 HydrophobicContact CD2-CD1 4.09Å; F30-L167 HydrophobicContact CD2-CG 4.48Å; F30-L167 HydrophobicContact CE2-CB 4.43Å; F30-L167 HydrophobicContact CE2-CD1 3.83Å; F30-L167 HydrophobicContact CE2-CG 4.41Å; Q148-L167 VanDerWaalsContact NE2-CB 3.32Å; Q148-L167 VanDerWaalsContact NE2-CD2 3.31Å; L165-L167 HydrophobicContact CD1-CD2 4.47Å; L165-L167 HydrophobicContact CD2-CD1 4.02Å; L165-L167 HydrophobicContact CD2-CD2 4.32Å; L165-L167 HydrophobicContact CD2-CG 4.19Å; L165-L167 HydrophobicContact CG-CD1 4.48Å; L165-L167 HydrophobicContact CG-CD2 4.26Å; L165-L167 HydrophobicContact CG-CG 4.13Å; L167-K169 PolarHBondContact O-N 3.49Å; L167-L172 HydrophobicContact CB-CD1 3.71Å; L167-L172 HydrophobicContact CB-CG 4.48Å; L167-L172 HydrophobicContact CD1-CD1 4.15Å; L167-L172 HydrophobicContact CD1-CD2 4.4Å
168I95.2Very high91.3Very high20 Ų2062 Ų6210%0.10333%0.327CS..EExtended strand (participates in β ladder)trans-74.4119.3178.5-49.5168.7000107.6V26 V27 Y93 L97 F114 I118 Q148 Q170 G171V26-I168 CarbonylContact O-C 3.57Å; V26-I168 WeakPolarHBondContact O-CA 3.38Å; V26-I168 WeakPolarHBondContact O-CG2 3.44Å; V27-I168 HydrophobicContact CG2-CG1 4.47Å; Y93-I168 HydrophobicContact CD1-CD1 4.08Å; Y93-I168 HydrophobicContact CE1-CD1 3.8Å; L97-I168 HydrophobicContact CD2-CG2 4.16Å; F114-I168 HydrophobicContact CE2-CG2 3.81Å; F114-I168 HydrophobicContact CZ-CG2 4.03Å; I118-I168 HydrophobicContact CD1-CD1 3.88Å; I118-I168 HydrophobicContact CD1-CG1 3.92Å; I118-I168 HydrophobicContact CD1-CG2 4.02Å; I118-I168 HydrophobicContact CG1-CD1 4.42Å; Q148-I168 VanDerWaalsContact CD-N 3.33Å; Q148-I168 VanDerWaalsContact OE1-CA 3.27Å; Q148-I168 PolarHBondContact OE1-O 3.37Å; I168-Q170 VanDerWaalsContact C-N 3.26Å; I168-Q170 PolarHBondContact O-N 3.23Å; I168-G171 PolarHBondContact O-N 2.77Å
169K94.2Very high91.6Very high61 Ų6155.9 Ų55.927%0.26529%0.294SS..G310 helixtrans-53.1-44.8-176164.3178.4176.8-170.70111.9L22 V26 Y28 L167 G171 L172L22-K169 HydrophobicContact CD1-CB 4.48Å; L22-K169 HydrophobicContact CD1-CD 3.81Å; L22-K169 HydrophobicContact CD2-CD 4.42Å; V26-K169 PolarHBondContact O-N 2.8Å; Y28-K169 HydrophobicContact CD2-CB 3.85Å; Y28-K169 HydrophobicContact CD2-CG 4.21Å; Y28-K169 HydrophobicContact CE1-CD 4.1Å; Y28-K169 HydrophobicContact CE1-CG 4.38Å; Y28-K169 HydrophobicContact CE2-CB 3.71Å; Y28-K169 HydrophobicContact CE2-CD 4.12Å; Y28-K169 HydrophobicContact CE2-CG 3.53Å; Y28-K169 HydrophobicContact CG-CB 4.35Å; Y28-K169 WeakPolarHBondContact OH-CE 3.31Å; L167-K169 PolarHBondContact O-N 3.49Å; K169-G171 PolarHBondContact O-N 2.82Å; K169-L172 PolarHBondContact O-N 3.18Å; K169-L172 VanDerWaalsContact O-N 3.14Å
170Q92.5Very high91.9Very high28 Ų2855.6 Ų55.613%0.13128%0.275CS..G310 helixtrans-70.4-20.9-177.2-71.974.510.200112.8D25 V26 L97 L101 F114 I168 L172D25-Q170 PolarHBondContact O-NE2 3.03Å; V26-Q170 PolarHBondContact O-OE1 2.7Å; L97-Q170 WeakPolarHBondContact CD1-O 3.38Å; L97-Q170 HydrophobicContact CD2-CB 4.22Å; L101-Q170 HydrophobicContact CD1-CB 3.87Å; L101-Q170 HydrophobicContact CD1-CG 4.13Å; L101-Q170 HydrophobicContact CD2-CB 4.08Å; L101-Q170 HydrophobicContact CD2-CG 4.4Å; F114-Q170 HydrophobicContact CD2-CB 4.31Å; F114-Q170 HydrophobicContact CD2-CG 3.76Å; F114-Q170 HydrophobicContact CE2-CB 3.87Å; F114-Q170 HydrophobicContact CE2-CG 3.82Å; F114-Q170 HydrophobicContact CZ-CB 4.28Å; I168-Q170 VanDerWaalsContact C-N 3.26Å; I168-Q170 PolarHBondContact O-N 3.23Å; Q170-L172 VanDerWaalsContact C-N 3.26Å
171G92.9Very high92.1Very high0 Ų051.8 Ų51.80%026%0.258CS..G310 helixtrans-83.20.1173.900000113.5I7 I168 K169I7-G171 WeakPolarHBondContact CB-O 3.46Å; I7-G171 WeakPolarHBondContact CG2-O 3.35Å; I7-G171 PolarHBondContact N-O 3.25Å; I168-G171 PolarHBondContact O-N 2.77Å; K169-G171 PolarHBondContact O-N 2.82Å
172L93.3Very high92.2Very high16 Ų1646.3 Ų46.38%0.08423%0.233CC..EExtended strand (participates in β ladder)trans-112.5142.3-176.9-64.8170.6000111.7Y4 K5 L13 Y28 L167 K169 Q170Y4-L172 HydrophobicContact CD1-CB 4.39Å; Y4-L172 HydrophobicContact CD1-CD1 4Å; Y4-L172 HydrophobicContact CG-CD1 4.37Å; K5-L172 CarbonylContact O-C 3.45Å; K5-L172 VanDerWaalsContact O-CA 3.27Å; K5-L172 WeakPolarHBondContact O-CA 3.5Å; L13-L172 HydrophobicContact CB-CD2 4.5Å; L13-L172 HydrophobicContact CD1-CD2 3.94Å; Y28-L172 HydrophobicContact CD2-CD1 3.91Å; L167-L172 HydrophobicContact CB-CD1 3.71Å; L167-L172 HydrophobicContact CB-CG 4.48Å; L167-L172 HydrophobicContact CD1-CD1 4.15Å; L167-L172 HydrophobicContact CD1-CD2 4.4Å; K169-L172 PolarHBondContact O-N 3.18Å; K169-L172 VanDerWaalsContact O-N 3.14Å; Q170-L172 VanDerWaalsContact C-N 3.26Å
173V92.3Very high92.1Very high67 Ų6745.9 Ų45.941%0.40623%0.233SC..EExtended strand (participates in β ladder)trans-105.7125168.2-1790000107.9K5 I7K5-V173 PolarHBondContact N-O 2.83Å; K5-V173 PolarHBondContact O-N 3.17Å; I7-V173 HydrophobicContact CB-CG2 4.04Å; I7-V173 HydrophobicContact CD1-CG2 4.42Å; I7-V173 HydrophobicContact CG1-CG2 3.89Å
174E91.9Very high91.9Very high105 Ų10549.1 Ų49.149%0.49125%0.25SC..EExtended strand (participates in β ladder)trans-88.3110.3178.4-61.5-177.69500109.4I2 Y4I2-E174 HydrophobicContact CG2-CB 3.94Å; I2-E174 HydrophobicContact CG2-CG 4.43Å; Y4-E174 HydrophobicContact CD1-CG 3.93Å; Y4-E174 HydrophobicContact CE1-CG 3.63Å; Y4-E174 WeakPolarHBondContact CE1-OE1 3.45Å; Y4-E174 PolarHBondContact OH-OE1 3.29Å
175E89.9Confident91.6Very high86 Ų8652.8 Ų52.840%0.40227%0.269SS..EExtended strand (participates in β ladder)trans-104.5124.7175.2-171.617184.200110.2I2 I3 K5I2-E175 CarbonylContact C-O 3.59Å; I2-E175 WeakPolarHBondContact CA-O 3.28Å; I3-E175 PolarHBondContact N-O 3.01Å; I3-E175 PolarHBondContact O-N 3.2Å; K5-E175 IonicContact NZ-OE1 3.4Å; K5-E175 PolarHBondContact NZ-OE1 3.09Å; K5-E175 IonicContact NZ-OE2 3.77Å
176K86.7Confident91.2Very high179 Ų17957.3 Ų57.378%0.77829%0.291SS*.EExtended strand (participates in β ladder)trans-95.1114.7179.8-166.6174.2-176.1176.70110.3I2I2-K176 HydrophobicContact CG1-CG 4.49Å
177C74.8Confident90.8Very high119 Ų11962.1 Ų62.180%0.80432%0.316SS*.  trans-97.60169.4-63.40000112M1M1-C177 PolarHBondContact N-O 3Å; M1-C177 PolarHBondContact O-N 3.17Å; M1-C177 VanDerWaalsContact O-O 3.14Å

Retrieved 177 of 177 residues in 37.2 ms (Link to these results)

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