A0A077Z2T7_TRITR Loading...

Elongator complex protein 5

AlphaFold DB , UniProt , Accession A0A077Z2T7, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 276 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
1M80.2Confident87.4Confident37 Ų3734.9 Ų34.918%0.18217%0.174CC..  0129.40-67176.5177.300106.5L26 Y167 W179 F181 F189 A192M1-L26 HydrophobicContact CB-CD2 4.2Å; M1-Y167 HydrophobicContact CE-CD1 3.38Å; M1-Y167 HydrophobicContact CE-CE1 3.71Å; M1-Y167 HydrophobicContact CE-CG 4.08Å; M1-Y167 HydrophobicContact CG-CE1 4.04Å; M1-Y167 HydrophobicContact SD-CD1 3.9Å; M1-Y167 HydrophobicContact SD-CE1 3.8Å; M1-Y167 HydrophobicContact SD-CG 4.37Å; M1-W179 HydrophobicContact CE-CB 3.23Å; M1-W179 HydrophobicContact CE-CD2 3.89Å; M1-W179 HydrophobicContact CE-CE3 4.13Å; M1-W179 HydrophobicContact CE-CG 3.52Å; M1-F181 HydrophobicContact CE-CB 3.64Å; M1-F181 HydrophobicContact CE-CG 4.26Å; M1-F181 HydrophobicContact SD-CB 4.22Å; M1-F189 HydrophobicContact CB-CE1 4.41Å; M1-F189 HydrophobicContact CB-CE2 4.29Å; M1-F189 HydrophobicContact CB-CZ 4.03Å; M1-F189 HydrophobicContact SD-CD1 4.14Å; M1-F189 HydrophobicContact SD-CE1 3.63Å; M1-F189 HydrophobicContact SD-CZ 4.13Å; M1-A192 HydrophobicContact CE-CB 4.07Å; M1-A192 HydrophobicContact CG-CB 4.42Å; M1-A192 HydrophobicContact SD-CB 4.46Å
2E85.9Confident87.7Confident94 Ų9432 Ų3244%0.43916%0.159SC..  trans-146.6153.5-174.5-64.9-177.3178.200110.1T29 K152E2-T29 HydrophobicContact CG-CG2 4.11Å; E2-K152 WeakPolarHBondContact O-CE 3.17Å; E2-K152 PolarHBondContact O-NZ 3.2Å
3L87.6Confident87.8Confident7 Ų732.5 Ų32.54%0.03716%0.161CC..  trans-71.5153.5168.9-65.6171.6000110.3N9 L26 L27 A30 W34 V95 V130L3-N9 HydrophobicContact CD2-CB 4.14Å; L3-L26 HydrophobicContact CD1-CB 4.38Å; L3-L26 HydrophobicContact CD2-CB 4.17Å; L3-L26 HydrophobicContact CD2-CD1 3.99Å; L3-L26 HydrophobicContact CG-CB 4.05Å; L3-L27 HydrophobicContact CD1-CD2 4.2Å; L3-A30 HydrophobicContact CD1-CB 4.21Å; L3-W34 HydrophobicContact CB-CZ2 4.36Å; L3-V95 HydrophobicContact CD1-CG1 4.25Å; L3-V130 HydrophobicContact CD1-CG2 3.89Å; L3-V130 HydrophobicContact CD2-CG2 4.1Å
4A86.1Confident87.6Confident16 Ų1632.7 Ų32.713%0.13217%0.167CC..  trans-64.5135.2163.700000109.3E6 N9 A128 R151 K152A4-E6 PolarHBondContact O-N 2.88Å; A4-N9 VanDerWaalsContact CB-OD1 3.26Å; A4-N9 WeakPolarHBondContact CB-OD1 3.21Å; A4-N9 PolarHBondContact N-OD1 3.16Å; A4-N9 PolarHBondContact O-ND2 2.96Å; A4-A128 VanDerWaalsContact O-CB 3.25Å; A4-A128 WeakPolarHBondContact O-CB 3.36Å; A4-R151 HydrophobicContact CB-CG 4.47Å; A4-K152 HydrophobicContact CB-CB 4.25Å
5K84.7Confident87Confident126 Ų12639.7 Ų39.755%0.54820%0.199SC..SBendtrans-67.9-24.5-177.3-62.2-171.8176.1-175.80113.7W34K5-W34 HydrophobicContact CB-CD2 4.38Å; K5-W34 HydrophobicContact CB-CE3 4.46Å; K5-W34 HydrophobicContact CB-CZ2 4.42Å; K5-W34 HydrophobicContact CD-CD2 4.42Å; K5-W34 HydrophobicContact CD-CG 4.22Å; K5-W34 HydrophobicContact CG-CD2 3.95Å; K5-W34 HydrophobicContact CG-CG 4.17Å; K5-W34 HydrophobicContact CG-CZ2 4.27Å
6E84.8Confident86.4Confident85 Ų8542.4 Ų42.440%0.39724%0.239SC..SBendtrans-144.1145.6-178.6-63.1172.6165.200109.6A4 R151A4-E6 PolarHBondContact O-N 2.88Å; E6-R151 WeakPolarHBondContact O-CD 3.38Å; E6-R151 PolarHBondContact O-NH1 3.15Å; E6-R151 IonicContact OE2-NH1 3.94Å
7G85.9Confident86.3Confident16 Ų1641.4 Ų41.417%0.16523%0.233CC..EExtended strand (participates in β ladder)trans88.3-162.6178.300000112.8R127 A128 W129G7-R127 PolarHBondContact N-O 2.68Å; G7-R127 VanDerWaalsContact N-O 3.15Å; G7-A128 WeakPolarHBondContact O-CA 3.42Å; G7-W129 PolarHBondContact O-N 2.78Å
8F90Very high86.2Confident3 Ų344.5 Ų44.51%0.01325%0.249CC..EExtended strand (participates in β ladder)trans-92.7127.1-169.8179.7-135.2000113.2L10 F121 W129 L131 L146 L149 A150 R151 K152F8-L10 HydrophobicContact CE1-CB 4.03Å; F8-L10 HydrophobicContact CZ-CB 3.89Å; F8-L10 HydrophobicContact CZ-CD1 3.95Å; F8-L10 HydrophobicContact CZ-CG 4.47Å; F8-F121 HydrophobicContact CB-CB 4.13Å; F8-F121 HydrophobicContact CB-CD1 4.31Å; F8-F121 HydrophobicContact CB-CD2 3.68Å; F8-F121 HydrophobicContact CB-CE2 4.12Å; F8-F121 HydrophobicContact CB-CG 3.78Å; F8-F121 AromaticContact CD1-CD2 3.71Å; F8-F121 HydrophobicContact CD1-CD2 3.71Å; F8-F121 AromaticContact CD1-CE2 3.61Å; F8-F121 HydrophobicContact CD1-CE2 3.61Å; F8-F121 HydrophobicContact CD1-CZ 4.47Å; F8-F121 HydrophobicContact CD2-CD1 4.35Å; F8-F121 AromaticContact CD2-CD2 3.86Å; F8-F121 HydrophobicContact CD2-CD2 3.86Å; F8-F121 AromaticContact CD2-CE1 3.93Å; F8-F121 HydrophobicContact CD2-CE1 3.93Å; F8-F121 AromaticContact CD2-CE2 3.36Å; F8-F121 HydrophobicContact CD2-CE2 3.36Å; F8-F121 HydrophobicContact CD2-CG 4.32Å; F8-F121 AromaticContact CD2-CZ 3.4Å; F8-F121 HydrophobicContact CD2-CZ 3.4Å; F8-F121 HydrophobicContact CE1-CD2 4.34Å; F8-F121 AromaticContact CE1-CE2 3.82Å; F8-F121 HydrophobicContact CE1-CE2 3.82Å; F8-F121 HydrophobicContact CE2-CD2 4.46Å; F8-F121 HydrophobicContact CE2-CE1 4.44Å; F8-F121 AromaticContact CE2-CE2 3.58Å; F8-F121 HydrophobicContact CE2-CE2 3.58Å; F8-F121 AromaticContact CE2-CZ 3.56Å; F8-F121 HydrophobicContact CE2-CZ 3.56Å; F8-F121 HydrophobicContact CG-CD1 4.47Å; F8-F121 AromaticContact CG-CD2 3.47Å; F8-F121 HydrophobicContact CG-CD2 3.47Å; F8-F121 VanDerWaalsContact CG-CD2 3.47Å; F8-F121 HydrophobicContact CG-CE1 4.44Å; F8-F121 AromaticContact CG-CE2 3.41Å; F8-F121 HydrophobicContact CG-CE2 3.41Å; F8-F121 VanDerWaalsContact CG-CE2 3.41Å; F8-F121 HydrophobicContact CG-CG 4.02Å; F8-F121 AromaticContact CG-CZ 3.93Å; F8-F121 HydrophobicContact CG-CZ 3.93Å; F8-F121 AromaticContact CZ-CE2 3.81Å; F8-F121 HydrophobicContact CZ-CE2 3.81Å; F8-F121 HydrophobicContact CZ-CZ 4.18Å; F8-W129 HydrophobicContact CD2-CB 4.09Å; F8-L131 HydrophobicContact CE2-CB 3.42Å; F8-L131 VanDerWaalsContact CE2-CB 3.42Å; F8-L131 HydrophobicContact CE2-CD2 4.19Å; F8-L131 HydrophobicContact CE2-CG 4.48Å; F8-L131 HydrophobicContact CZ-CB 3.72Å; F8-L131 HydrophobicContact CZ-CD2 3.76Å; F8-L131 HydrophobicContact CZ-CG 4.42Å; F8-L146 HydrophobicContact CE1-CB 4.37Å; F8-L146 HydrophobicContact CE1-CD2 4.34Å; F8-L146 WeakPolarHBondContact CE1-O 3.3Å; F8-L146 HydrophobicContact CZ-CD2 4.49Å; F8-L149 HydrophobicContact CD1-CB 3.98Å; F8-A150 VanDerWaalsContact CD1-CA 3.44Å; F8-A150 HydrophobicContact CD1-CB 3.71Å; F8-A150 HydrophobicContact CE1-CB 3.95Å; F8-A150 CarbonylContact O-C 3.59Å; F8-R151 PolarHBondContact O-N 2.83Å; F8-K152 PolarHBondContact O-N 2.9Å
9N91.6Very high86.3Confident0 Ų042.2 Ų42.20%024%0.236CC..EExtended strand (participates in β ladder)trans-109.9122.7170.5-57.4-94000108.8L3 A4 W129 V130 L131 K152L3-N9 HydrophobicContact CD2-CB 4.14Å; A4-N9 VanDerWaalsContact CB-OD1 3.26Å; A4-N9 WeakPolarHBondContact CB-OD1 3.21Å; A4-N9 PolarHBondContact N-OD1 3.16Å; A4-N9 PolarHBondContact O-ND2 2.96Å; N9-W129 WeakPolarHBondContact CA-O 3.4Å; N9-W129 VanDerWaalsContact CB-O 3.31Å; N9-W129 WeakPolarHBondContact CB-O 3.44Å; N9-W129 PolarHBondContact N-O 2.93Å; N9-W129 PolarHBondContact ND2-O 3.16Å; N9-W129 VanDerWaalsContact ND2-O 3.1Å; N9-V130 HydrophobicContact CB-CG2 4.25Å; N9-V130 VanDerWaalsContact O-CA 3.3Å; N9-V130 WeakPolarHBondContact O-CA 3.42Å; N9-L131 PolarHBondContact O-N 3.1Å; N9-K152 CarbonylContact C-O 3.56Å; N9-K152 VanDerWaalsContact CA-O 3.29Å; N9-K152 WeakPolarHBondContact CA-O 3.32Å
10L92.4Very high86.4Confident0 Ų042.9 Ų42.90%024%0.235CC..EExtended strand (participates in β ladder)trans-103.5128.8175.4178.165.1000109F8 E12 L131 L146 R147 A150 K152 V153 H154F8-L10 HydrophobicContact CE1-CB 4.03Å; F8-L10 HydrophobicContact CZ-CB 3.89Å; F8-L10 HydrophobicContact CZ-CD1 3.95Å; F8-L10 HydrophobicContact CZ-CG 4.47Å; L10-E12 HydrophobicContact CD2-CG 3.94Å; L10-E12 WeakPolarHBondContact CD2-OE1 3.42Å; L10-E12 HydrophobicContact CG-CG 3.99Å; L10-L131 HydrophobicContact CD1-CB 4.44Å; L10-L131 HydrophobicContact CD1-CD2 4.27Å; L10-L146 HydrophobicContact CD1-CB 4.47Å; L10-L146 HydrophobicContact CD1-CD1 4.24Å; L10-L146 HydrophobicContact CD2-CB 3.95Å; L10-R147 HydrophobicContact CD2-CG 3.98Å; L10-A150 HydrophobicContact CB-CB 3.88Å; L10-K152 PolarHBondContact N-O 3.37Å; L10-V153 HydrophobicContact CB-CG1 4.37Å; L10-V153 HydrophobicContact CB-CG2 4.29Å; L10-V153 HydrophobicContact CD2-CG1 4.19Å; L10-V153 HydrophobicContact CD2-CG2 4.4Å; L10-V153 HydrophobicContact CG-CG1 4.38Å; L10-V153 CarbonylContact O-C 3.55Å; L10-V153 VanDerWaalsContact O-CA 3.31Å; L10-V153 WeakPolarHBondContact O-CA 3.42Å; L10-H154 PolarHBondContact O-N 3.34Å
11I92.3Very high86.4Confident0 Ų043 Ų430%024%0.238CC..EExtended strand (participates in β ladder)trans-107114.4170.1-54.6-178.9000107.9A19 L22 L23 L26 V130 L131 I132 G133 H154I11-A19 HydrophobicContact CG2-CB 3.78Å; I11-L22 HydrophobicContact CG2-CD2 4.22Å; I11-L23 HydrophobicContact CD1-CB 4.01Å; I11-L23 HydrophobicContact CD1-CD1 3.75Å; I11-L23 HydrophobicContact CD1-CG 4.46Å; I11-L26 HydrophobicContact CD1-CD1 4.25Å; I11-V130 HydrophobicContact CD1-CG1 3.68Å; I11-V130 HydrophobicContact CG1-CG1 4.02Å; I11-L131 PolarHBondContact N-O 3.39Å; I11-I132 HydrophobicContact CB-CG1 4.23Å; I11-I132 CarbonylContact O-C 3.59Å; I11-I132 WeakPolarHBondContact O-CA 3.46Å; I11-G133 PolarHBondContact O-N 3.16Å; I11-H154 CarbonylContact C-O 3.59Å; I11-H154 WeakPolarHBondContact CA-O 3.26Å; I11-H154 HydrophobicContact CB-CB 4.42Å; I11-H154 HydrophobicContact CG1-CB 4.06Å; I11-H154 HydrophobicContact CG2-CB 4.4Å
12E90.6Very high86.9Confident0 Ų041.3 Ų41.30%023%0.229CC..EExtended strand (participates in β ladder)trans-97.3128177.7-64.2-179.8-167.500110.1L10 G133 V135 R147 V153 H154 R155 L156L10-E12 HydrophobicContact CD2-CG 3.94Å; L10-E12 WeakPolarHBondContact CD2-OE1 3.42Å; L10-E12 HydrophobicContact CG-CG 3.99Å; E12-G133 WeakPolarHBondContact CA-O 3.28Å; E12-V135 HydrophobicContact CB-CG2 4.02Å; E12-R147 VanDerWaalsContact OE1-CG 3.22Å; E12-R147 WeakPolarHBondContact OE1-CG 3.21Å; E12-R147 IonicContact OE1-CZ 3.63Å; E12-R147 IonicContact OE1-NE 3.48Å; E12-R147 PolarHBondContact OE1-NE 2.63Å; E12-R147 IonicContact OE1-NH2 2.9Å; E12-R147 PolarHBondContact OE1-NH2 2.83Å; E12-R147 IonicContact OE2-CZ 3.75Å; E12-R147 IonicContact OE2-NE 3.37Å; E12-R147 PolarHBondContact OE2-NE 3.33Å; E12-R147 IonicContact OE2-NH2 3.43Å; E12-R147 PolarHBondContact OE2-NH2 3.05Å; E12-V153 HydrophobicContact CG-CG1 4Å; E12-V153 WeakPolarHBondContact OE1-CG1 3.41Å; E12-H154 PolarHBondContact N-O 3.3Å; E12-R155 HydrophobicContact CB-CB 4.25Å; E12-R155 HydrophobicContact CB-CG 4.29Å; E12-R155 IonicContact OE1-NH2 2.77Å; E12-R155 IonicContact OE2-CZ 2.75Å; E12-R155 IonicContact OE2-NE 3.41Å; E12-R155 PolarHBondContact OE2-NE 3.13Å; E12-R155 IonicContact OE2-NH2 2.96Å; E12-R155 PolarHBondContact OE2-NH2 3.25Å; E12-L156 PolarHBondContact O-N 2.89Å
13Q89Confident87.1Confident38 Ų3836.9 Ų36.918%0.17821%0.209CC..EExtended strand (participates in β ladder)trans-107.8128.917163.4-173.111.900110.9A19 I132 G133 V135Q13-A19 HydrophobicContact CB-CB 4Å; Q13-I132 HydrophobicContact CG-CG2 4.48Å; Q13-G133 PolarHBondContact N-O 3.01Å; Q13-V135 PolarHBondContact O-N 3.39Å
14C85.4Confident87.2Confident36 Ų3637.3 Ų37.324%0.24321%0.21CC..  trans-87.8168.4168.3-71.50000111.5G16 L17 L156C14-G16 PolarHBondContact O-N 2.85Å; C14-L17 HydrophobicContact CB-CD1 4.39Å; C14-L17 WeakPolarHBondContact O-CB 3.37Å; C14-L17 PolarHBondContact O-N 3.23Å; C14-L17 VanDerWaalsContact O-N 3.12Å; C14-L156 VanDerWaalsContact CB-O 3.3Å; C14-L156 WeakPolarHBondContact CB-O 3.43Å; C14-L156 PolarHBondContact N-O 2.81Å; C14-L156 PolarHBondContact SG-O 3.03Å
15E78.4Confident87.4Confident138 Ų13836.6 Ų36.665%0.64520%0.204SC*.THydrogen-bonded Turntrans-43.7132.8-178.4-157179170.300113.6L17 E136E15-L17 PolarHBondContact O-N 3.08Å; E15-E136 WeakPolarHBondContact CB-OE1 3.38Å; E15-E136 WeakPolarHBondContact CG-OE1 3.34Å
16G78.1Confident87.7Confident82 Ų8230.6 Ų30.685%0.84518%0.178SC*.THydrogen-bonded Turntrans69.2-0.2174.700000115.2C14C14-G16 PolarHBondContact O-N 2.85Å
17L84.7Confident87.9Confident26 Ų2626.5 Ų26.514%0.13616%0.159CC..  trans-97.3136.2176.6-64.2-178.6000111.4C14 E15 L156 L158 V165C14-L17 HydrophobicContact CB-CD1 4.39Å; C14-L17 WeakPolarHBondContact O-CB 3.37Å; C14-L17 PolarHBondContact O-N 3.23Å; C14-L17 VanDerWaalsContact O-N 3.12Å; E15-L17 PolarHBondContact O-N 3.08Å; L17-L156 HydrophobicContact CD1-CB 3.94Å; L17-L158 HydrophobicContact CD1-CG 4.05Å; L17-L158 HydrophobicContact CD2-CD1 4.29Å; L17-L158 HydrophobicContact CD2-CD2 3.69Å; L17-L158 HydrophobicContact CD2-CG 3.82Å; L17-L158 HydrophobicContact CG-CD1 4.39Å; L17-L158 HydrophobicContact CG-CD2 4.41Å; L17-L158 HydrophobicContact CG-CG 3.99Å; L17-V165 HydrophobicContact CD1-CG1 4.26Å; L17-V165 HydrophobicContact CD2-CG1 4.2Å; L17-V165 HydrophobicContact CD2-CG2 3.75Å
18N84.5Confident88Confident97 Ų9728.4 Ų28.452%0.51916%0.163SC..  trans-96.5116171.9-174.1-5.4000109.8W20 P21N18-W20 VanDerWaalsContact C-N 3.32Å; N18-W20 WeakPolarHBondContact OD1-CB 3.47Å; N18-W20 PolarHBondContact OD1-N 3.1Å; N18-P21 WeakPolarHBondContact O-CD 3.46Å
19A88Confident88Confident0 Ų030 Ų300%017%0.172CC..  trans-76.3-14.3174.300000114.4I11 Q13 L22 L23 I132 L156I11-A19 HydrophobicContact CG2-CB 3.78Å; Q13-A19 HydrophobicContact CB-CB 4Å; A19-L22 WeakPolarHBondContact O-CB 3.21Å; A19-L22 PolarHBondContact O-N 2.91Å; A19-L22 VanDerWaalsContact O-N 3.11Å; A19-L23 PolarHBondContact O-N 3.31Å; A19-I132 HydrophobicContact CB-CG2 4.15Å; A19-L156 HydrophobicContact CB-CD1 3.95Å
20W88Confident87.8Confident56 Ų5630 Ų3021%0.21217%0.173CC..Hα-helixtrans-56.1-46.4-176.9-74.1107.1000114.3N18 L22 L23 K24 W51 D99 I132N18-W20 VanDerWaalsContact C-N 3.32Å; N18-W20 WeakPolarHBondContact OD1-CB 3.47Å; N18-W20 PolarHBondContact OD1-N 3.1Å; W20-L22 VanDerWaalsContact C-N 3.27Å; W20-L22 PolarHBondContact O-N 2.74Å; W20-L23 HydrophobicContact CE3-CD2 3.87Å; W20-L23 HydrophobicContact CH2-CD2 4.49Å; W20-L23 HydrophobicContact CZ3-CD2 3.64Å; W20-L23 PolarHBondContact O-N 3.16Å; W20-K24 WeakPolarHBondContact O-CB 3.33Å; W20-K24 VanDerWaalsContact O-CG 3.29Å; W20-K24 WeakPolarHBondContact O-CG 3.19Å; W20-K24 PolarHBondContact O-N 2.8Å; W20-W51 HydrophobicContact CE3-CH2 4.31Å; W20-W51 HydrophobicContact CE3-CZ2 4.48Å; W20-W51 HydrophobicContact CH2-CZ2 4.41Å; W20-W51 AromaticContact CZ3-CH2 3.69Å; W20-W51 HydrophobicContact CZ3-CH2 3.69Å; W20-W51 AromaticContact CZ3-CZ2 3.66Å; W20-W51 HydrophobicContact CZ3-CZ2 3.66Å; W20-D99 HydrophobicContact CH2-CB 4.15Å; W20-D99 WeakPolarHBondContact CH2-OD2 3.49Å; W20-D99 WeakPolarHBondContact CZ2-OD1 3.29Å; W20-D99 WeakPolarHBondContact CZ2-OD2 3.28Å; W20-I132 HydrophobicContact CD2-CD1 4.34Å; W20-I132 HydrophobicContact CE3-CD1 4.38Å; W20-I132 HydrophobicContact CH2-CD1 4.44Å; W20-I132 HydrophobicContact CZ2-CD1 4.38Å; W20-I132 HydrophobicContact CZ3-CD1 4.44Å
21P87.5Confident87.6Confident46 Ų4631.5 Ų31.530%0.29918%0.182SC..Hα-helixtrans-60.2-38.4177.1-23.835.2000112.6N18 A25 I183 Y187N18-P21 WeakPolarHBondContact O-CD 3.46Å; P21-A25 WeakPolarHBondContact O-CB 3.33Å; P21-A25 PolarHBondContact O-N 2.61Å; P21-I183 HydrophobicContact CB-CD1 4.38Å; P21-I183 WeakPolarHBondContact O-CD1 3.27Å; P21-Y187 HydrophobicContact CB-CD1 4.49Å; P21-Y187 HydrophobicContact CB-CE1 4.5Å
22L88.9Confident87.3Confident2 Ų240.6 Ų40.61%0.0122%0.222CC..Hα-helixtrans-66-48.6176.1177.668.9000110.9I11 A19 W20 K24 A25 L26 H154 L156 Y167 F181 I183 F189I11-L22 HydrophobicContact CG2-CD2 4.22Å; A19-L22 WeakPolarHBondContact O-CB 3.21Å; A19-L22 PolarHBondContact O-N 2.91Å; A19-L22 VanDerWaalsContact O-N 3.11Å; W20-L22 VanDerWaalsContact C-N 3.27Å; W20-L22 PolarHBondContact O-N 2.74Å; L22-K24 VanDerWaalsContact C-N 3.33Å; L22-K24 PolarHBondContact O-N 3Å; L22-A25 PolarHBondContact O-N 2.96Å; L22-L26 HydrophobicContact CD1-CD1 4.11Å; L22-L26 HydrophobicContact CD1-CG 4.15Å; L22-L26 HydrophobicContact CD2-CD1 4.37Å; L22-L26 HydrophobicContact CG-CD1 3.87Å; L22-L26 HydrophobicContact CG-CG 4.3Å; L22-L26 WeakPolarHBondContact O-CB 3.39Å; L22-L26 VanDerWaalsContact O-CG 3.3Å; L22-L26 WeakPolarHBondContact O-CG 3.22Å; L22-L26 PolarHBondContact O-N 3.19Å; L22-H154 HydrophobicContact CD2-CB 4.47Å; L22-L156 HydrophobicContact CB-CD1 4.14Å; L22-L156 HydrophobicContact CD2-CD1 3.84Å; L22-L156 HydrophobicContact CD2-CD2 3.85Å; L22-L156 HydrophobicContact CD2-CG 3.79Å; L22-Y167 HydrophobicContact CD1-CD2 4.19Å; L22-Y167 HydrophobicContact CD1-CE2 4.26Å; L22-Y167 HydrophobicContact CD2-CD2 3.8Å; L22-Y167 HydrophobicContact CD2-CE2 3.93Å; L22-F181 HydrophobicContact CD1-CE2 4.31Å; L22-I183 HydrophobicContact CB-CD1 4.33Å; L22-I183 HydrophobicContact CD1-CD1 4.38Å; L22-F189 HydrophobicContact CD1-CE1 4.12Å; L22-F189 HydrophobicContact CD1-CZ 4.18Å
23L90.6Very high87.1Confident0 Ų044.1 Ų44.10%024%0.243CC..Hα-helixtrans-55.5-50.5176.8173.164000110.5I11 A19 W20 A25 L26 L27 W51 V97 V130 I132I11-L23 HydrophobicContact CD1-CB 4.01Å; I11-L23 HydrophobicContact CD1-CD1 3.75Å; I11-L23 HydrophobicContact CD1-CG 4.46Å; A19-L23 PolarHBondContact O-N 3.31Å; W20-L23 HydrophobicContact CE3-CD2 3.87Å; W20-L23 HydrophobicContact CH2-CD2 4.49Å; W20-L23 HydrophobicContact CZ3-CD2 3.64Å; W20-L23 PolarHBondContact O-N 3.16Å; L23-A25 VanDerWaalsContact C-N 3.32Å; L23-A25 PolarHBondContact O-N 3.33Å; L23-L26 PolarHBondContact O-N 2.75Å; L23-L27 HydrophobicContact CD1-CD1 3.77Å; L23-L27 HydrophobicContact CD1-CD2 4.39Å; L23-L27 HydrophobicContact CD1-CG 3.85Å; L23-L27 HydrophobicContact CD2-CD1 4.33Å; L23-L27 HydrophobicContact CG-CD1 3.75Å; L23-L27 HydrophobicContact CG-CG 4.24Å; L23-L27 WeakPolarHBondContact O-CB 3.43Å; L23-L27 VanDerWaalsContact O-CG 3.28Å; L23-L27 WeakPolarHBondContact O-CG 3.19Å; L23-L27 PolarHBondContact O-N 3.25Å; L23-W51 HydrophobicContact CD2-CH2 4.33Å; L23-V97 HydrophobicContact CD1-CG2 4.45Å; L23-V97 HydrophobicContact CD2-CG1 3.91Å; L23-V130 HydrophobicContact CD1-CB 4.5Å; L23-V130 HydrophobicContact CD1-CG1 3.65Å; L23-I132 HydrophobicContact CB-CD1 4.27Å; L23-I132 HydrophobicContact CD2-CD1 3.56Å; L23-I132 HydrophobicContact CD2-CG1 4.33Å; L23-I132 HydrophobicContact CG-CD1 4.46Å
24K90.3Very high87Confident17 Ų1743.4 Ų43.47%0.07424%0.239CC..Hα-helixtrans-58.5-43.4179.7-69.4-176.2177-1700111.7W20 L22 L27 K28 D50 W51 F53 Y187W20-K24 WeakPolarHBondContact O-CB 3.33Å; W20-K24 VanDerWaalsContact O-CG 3.29Å; W20-K24 WeakPolarHBondContact O-CG 3.19Å; W20-K24 PolarHBondContact O-N 2.8Å; L22-K24 VanDerWaalsContact C-N 3.33Å; L22-K24 PolarHBondContact O-N 3Å; K24-L27 PolarHBondContact O-N 3.36Å; K24-K28 WeakPolarHBondContact O-CB 3.36Å; K24-K28 PolarHBondContact O-N 3.35Å; K24-D50 WeakPolarHBondContact CE-O 3.36Å; K24-D50 PolarHBondContact NZ-O 3.1Å; K24-W51 HydrophobicContact CG-CZ3 4.25Å; K24-F53 HydrophobicContact CB-CE1 3.94Å; K24-F53 HydrophobicContact CB-CE2 3.81Å; K24-F53 HydrophobicContact CB-CZ 3.48Å; K24-F53 VanDerWaalsContact CB-CZ 3.48Å; K24-F53 HydrophobicContact CD-CD1 4.11Å; K24-F53 HydrophobicContact CD-CE1 3.52Å; K24-F53 HydrophobicContact CD-CZ 3.98Å; K24-F53 HydrophobicContact CG-CD1 4.46Å; K24-F53 HydrophobicContact CG-CE1 3.53Å; K24-F53 HydrophobicContact CG-CE2 4.28Å; K24-F53 HydrophobicContact CG-CZ 3.43Å; K24-F53 VanDerWaalsContact CG-CZ 3.43Å; K24-F53 WeakPolarHBondContact O-CE2 3.29Å; K24-Y187 HydrophobicContact CB-CD1 3.64Å; K24-Y187 HydrophobicContact CB-CD2 4.21Å; K24-Y187 HydrophobicContact CB-CE1 4.11Å; K24-Y187 HydrophobicContact CB-CG 3.68Å; K24-Y187 HydrophobicContact CD-CD1 3.96Å; K24-Y187 HydrophobicContact CD-CD2 4.19Å; K24-Y187 HydrophobicContact CD-CE1 3.51Å; K24-Y187 HydrophobicContact CD-CE2 3.78Å; K24-Y187 HydrophobicContact CD-CG 4.26Å; K24-Y187 HydrophobicContact CG-CD1 4.41Å; K24-Y187 HydrophobicContact CG-CE1 4.4Å; K24-Y187 PolarHBondContact NZ-OH 3.15Å
25A88.9Confident86.9Confident0 Ų041.8 Ų41.80%023%0.228CC..Hα-helixtrans-67-39177.200000113.5P21 L22 L23 T29 I183 Y187 F189P21-A25 WeakPolarHBondContact O-CB 3.33Å; P21-A25 PolarHBondContact O-N 2.61Å; L22-A25 PolarHBondContact O-N 2.96Å; L23-A25 VanDerWaalsContact C-N 3.32Å; L23-A25 PolarHBondContact O-N 3.33Å; A25-T29 WeakPolarHBondContact O-CB 3.36Å; A25-T29 PolarHBondContact O-N 2.78Å; A25-T29 PolarHBondContact O-OG1 3.43Å; A25-I183 HydrophobicContact CB-CD1 3.86Å; A25-I183 HydrophobicContact CB-CG1 4.38Å; A25-I183 HydrophobicContact CB-CG2 4.07Å; A25-Y187 VanDerWaalsContact CA-O 3.22Å; A25-Y187 WeakPolarHBondContact CA-O 3.35Å; A25-Y187 VanDerWaalsContact CB-O 3.32Å; A25-Y187 WeakPolarHBondContact CB-O 3.41Å; A25-F189 HydrophobicContact CB-CD2 4.39Å; A25-F189 HydrophobicContact CB-CE1 4.2Å; A25-F189 HydrophobicContact CB-CE2 3.88Å; A25-F189 HydrophobicContact CB-CZ 3.77Å
26L90.9Very high87.1Confident0 Ų039.1 Ų39.10%022%0.223CC..Hα-helixtrans-65.7-43.1175-73.3175.5000111.6M1 L3 I11 L22 L23 T29 A30 F189M1-L26 HydrophobicContact CB-CD2 4.2Å; L3-L26 HydrophobicContact CD1-CB 4.38Å; L3-L26 HydrophobicContact CD2-CB 4.17Å; L3-L26 HydrophobicContact CD2-CD1 3.99Å; L3-L26 HydrophobicContact CG-CB 4.05Å; I11-L26 HydrophobicContact CD1-CD1 4.25Å; L22-L26 HydrophobicContact CD1-CD1 4.11Å; L22-L26 HydrophobicContact CD1-CG 4.15Å; L22-L26 HydrophobicContact CD2-CD1 4.37Å; L22-L26 HydrophobicContact CG-CD1 3.87Å; L22-L26 HydrophobicContact CG-CG 4.3Å; L22-L26 WeakPolarHBondContact O-CB 3.39Å; L22-L26 VanDerWaalsContact O-CG 3.3Å; L22-L26 WeakPolarHBondContact O-CG 3.22Å; L22-L26 PolarHBondContact O-N 3.19Å; L23-L26 PolarHBondContact O-N 2.75Å; L26-T29 WeakPolarHBondContact O-CB 3.42Å; L26-T29 PolarHBondContact O-N 2.85Å; L26-A30 WeakPolarHBondContact O-CB 3.46Å; L26-A30 PolarHBondContact O-N 3.24Å; L26-F189 HydrophobicContact CD2-CE2 4.29Å; L26-F189 HydrophobicContact CD2-CZ 3.93Å; L26-F189 HydrophobicContact CG-CZ 4.25Å
27L90.1Very high87.5Confident0 Ų036.1 Ų36.10%019%0.187CC..Hα-helixtrans-64.2-45.3176.3-71.6172.9000111.8L3 L23 K24 T29 A30 V31 V38 W51 V95 V97L3-L27 HydrophobicContact CD1-CD2 4.2Å; L23-L27 HydrophobicContact CD1-CD1 3.77Å; L23-L27 HydrophobicContact CD1-CD2 4.39Å; L23-L27 HydrophobicContact CD1-CG 3.85Å; L23-L27 HydrophobicContact CD2-CD1 4.33Å; L23-L27 HydrophobicContact CG-CD1 3.75Å; L23-L27 HydrophobicContact CG-CG 4.24Å; L23-L27 WeakPolarHBondContact O-CB 3.43Å; L23-L27 VanDerWaalsContact O-CG 3.28Å; L23-L27 WeakPolarHBondContact O-CG 3.19Å; L23-L27 PolarHBondContact O-N 3.25Å; K24-L27 PolarHBondContact O-N 3.36Å; L27-T29 PolarHBondContact O-N 3Å; L27-A30 PolarHBondContact O-N 2.95Å; L27-A30 VanDerWaalsContact O-N 3.09Å; L27-V31 WeakPolarHBondContact O-CG2 3.25Å; L27-V31 PolarHBondContact O-N 2.66Å; L27-V38 HydrophobicContact CD1-CG1 4.31Å; L27-V38 HydrophobicContact CD2-CG1 3.96Å; L27-V38 HydrophobicContact CD2-CG2 4.35Å; L27-W51 HydrophobicContact CD1-CH2 4.18Å; L27-W51 HydrophobicContact CD1-CZ3 3.64Å; L27-V95 HydrophobicContact CD2-CB 4.3Å; L27-V95 HydrophobicContact CD2-CG1 3.53Å; L27-V97 HydrophobicContact CD1-CG2 4.03Å; L27-V97 HydrophobicContact CD2-CG2 3.97Å
28K88.6Confident87.7Confident56 Ų5634.9 Ų34.924%0.24318%0.18CC..Hα-helixtrans-57.8-40.6175.5-165.6-179-167.3-177.10111.6K24 K32 F53 L54 S186 N188K24-K28 WeakPolarHBondContact O-CB 3.36Å; K24-K28 PolarHBondContact O-N 3.35Å; K28-K32 WeakPolarHBondContact O-CB 3.49Å; K28-K32 PolarHBondContact O-N 3.5Å; K28-F53 HydrophobicContact CB-CD2 4.36Å; K28-F53 HydrophobicContact CB-CE2 4.31Å; K28-F53 HydrophobicContact CD-CD2 4.49Å; K28-L54 HydrophobicContact CB-CD2 4.39Å; K28-S186 PolarHBondContact NZ-O 2.85Å; K28-N188 WeakPolarHBondContact CE-OD1 3.49Å; K28-N188 PolarHBondContact NZ-ND2 3.28Å; K28-N188 PolarHBondContact NZ-OD1 3.18Å
29T88.5Confident87.8Confident35 Ų3530.3 Ų30.322%0.21516%0.155CC..Hα-helixtrans-66.3-43.5175.2-55.20000111.3E2 A25 L26 L27 K32 T33E2-T29 HydrophobicContact CG-CG2 4.11Å; A25-T29 WeakPolarHBondContact O-CB 3.36Å; A25-T29 PolarHBondContact O-N 2.78Å; A25-T29 PolarHBondContact O-OG1 3.43Å; L26-T29 WeakPolarHBondContact O-CB 3.42Å; L26-T29 PolarHBondContact O-N 2.85Å; L27-T29 PolarHBondContact O-N 3Å; T29-K32 PolarHBondContact O-N 3.47Å; T29-T33 HydrophobicContact CG2-CG2 4.48Å; T29-T33 WeakPolarHBondContact O-CB 3.2Å; T29-T33 VanDerWaalsContact O-CG2 3.29Å; T29-T33 WeakPolarHBondContact O-CG2 3.42Å; T29-T33 PolarHBondContact O-N 3.28Å; T29-T33 VanDerWaalsContact O-N 3.15Å; T29-T33 PolarHBondContact O-OG1 2.91Å
30A88.8Confident87.8Confident2 Ų230.3 Ų30.32%0.01716%0.155CC..Hα-helixtrans-62.6-46177.600000112L3 L26 L27 K32 T33 W34 A35 V95L3-A30 HydrophobicContact CD1-CB 4.21Å; L26-A30 WeakPolarHBondContact O-CB 3.46Å; L26-A30 PolarHBondContact O-N 3.24Å; L27-A30 PolarHBondContact O-N 2.95Å; L27-A30 VanDerWaalsContact O-N 3.09Å; A30-K32 VanDerWaalsContact C-N 3.29Å; A30-K32 PolarHBondContact O-N 3.4Å; A30-T33 WeakPolarHBondContact CA-OG1 3.4Å; A30-T33 PolarHBondContact O-N 3.23Å; A30-T33 PolarHBondContact O-OG1 2.92Å; A30-W34 HydrophobicContact CB-CZ2 4.02Å; A30-W34 PolarHBondContact O-N 3.49Å; A30-A35 HydrophobicContact CB-CB 4.13Å; A30-A35 PolarHBondContact O-N 3.09Å; A30-V95 HydrophobicContact CB-CG2 4.28Å
31V88.1Confident87.7Confident31 Ų3127.6 Ų27.619%0.18815%0.145CC..Hα-helixtrans-62-38.3179.3173.30000112L27 T33 A35 V38 L54 T58L27-V31 WeakPolarHBondContact O-CG2 3.25Å; L27-V31 PolarHBondContact O-N 2.66Å; V31-T33 VanDerWaalsContact C-N 3.3Å; V31-T33 PolarHBondContact O-N 3.49Å; V31-A35 VanDerWaalsContact CA-O 3.28Å; V31-A35 WeakPolarHBondContact CA-O 3.14Å; V31-V38 HydrophobicContact CG2-CG2 3.44Å; V31-V38 VanDerWaalsContact CG2-CG2 3.44Å; V31-L54 HydrophobicContact CB-CD2 4.39Å; V31-L54 HydrophobicContact CG2-CD2 4.1Å; V31-T58 HydrophobicContact CG1-CG2 4.25Å
32K86.5Confident87.5Confident191 Ų19125.5 Ų25.583%0.8313%0.131SC*.Hα-helixtrans-68.3-28.6175.5-174.8175.9177.5-179.20113.2K28 T29 A30K28-K32 WeakPolarHBondContact O-CB 3.49Å; K28-K32 PolarHBondContact O-N 3.5Å; T29-K32 PolarHBondContact O-N 3.47Å; A30-K32 VanDerWaalsContact C-N 3.29Å; A30-K32 PolarHBondContact O-N 3.4Å
33T86.4Confident86.9Confident73 Ų7327.3 Ų27.345%0.44814%0.141SC..Hα-helixtrans-103.8-42.4-16748.90000114.1T29 A30 V31T29-T33 HydrophobicContact CG2-CG2 4.48Å; T29-T33 WeakPolarHBondContact O-CB 3.2Å; T29-T33 VanDerWaalsContact O-CG2 3.29Å; T29-T33 WeakPolarHBondContact O-CG2 3.42Å; T29-T33 PolarHBondContact O-N 3.28Å; T29-T33 VanDerWaalsContact O-N 3.15Å; T29-T33 PolarHBondContact O-OG1 2.91Å; A30-T33 WeakPolarHBondContact CA-OG1 3.4Å; A30-T33 PolarHBondContact O-N 3.23Å; A30-T33 PolarHBondContact O-OG1 2.92Å; V31-T33 VanDerWaalsContact C-N 3.3Å; V31-T33 PolarHBondContact O-N 3.49Å
34W86.2Confident86.2Confident24 Ų2433.3 Ų33.39%0.09116%0.164CC..THydrogen-bonded Turntrans-157.3-15.6-173.559.9-93.2000115.5L3 K5 A30 P36 Q93 V95 A128L3-W34 HydrophobicContact CB-CZ2 4.36Å; K5-W34 HydrophobicContact CB-CD2 4.38Å; K5-W34 HydrophobicContact CB-CE3 4.46Å; K5-W34 HydrophobicContact CB-CZ2 4.42Å; K5-W34 HydrophobicContact CD-CD2 4.42Å; K5-W34 HydrophobicContact CD-CG 4.22Å; K5-W34 HydrophobicContact CG-CD2 3.95Å; K5-W34 HydrophobicContact CG-CG 4.17Å; K5-W34 HydrophobicContact CG-CZ2 4.27Å; A30-W34 HydrophobicContact CB-CZ2 4.02Å; A30-W34 PolarHBondContact O-N 3.49Å; W34-P36 WeakPolarHBondContact O-CD 3.38Å; W34-Q93 PolarHBondContact O-OE1 3.27Å; W34-V95 HydrophobicContact CH2-CG2 3.5Å; W34-V95 HydrophobicContact CZ2-CG2 4.14Å; W34-V95 HydrophobicContact CZ3-CG2 4.03Å; W34-A128 HydrophobicContact CH2-CB 3.54Å; W34-A128 HydrophobicContact CZ2-CB 4.4Å; W34-A128 HydrophobicContact CZ3-CB 4.35Å
35A82.6Confident85.1Confident1 Ų138.5 Ų38.51%0.00820%0.199CC..  trans-97.1101.2-175.300000112.1A30 V31 Q37 V95A30-A35 HydrophobicContact CB-CB 4.13Å; A30-A35 PolarHBondContact O-N 3.09Å; V31-A35 VanDerWaalsContact CA-O 3.28Å; V31-A35 WeakPolarHBondContact CA-O 3.14Å; A35-Q37 PolarHBondContact O-N 3.14Å; A35-V95 HydrophobicContact CB-CG2 3.55Å
36P83.7Confident84Confident83 Ų8340.2 Ų40.254%0.53921%0.208SC..SBendtrans-61.6-27.3174.623.3-37.3000114W34 Q93W34-P36 WeakPolarHBondContact O-CD 3.38Å; P36-Q93 WeakPolarHBondContact CD-O 3.38Å; P36-Q93 WeakPolarHBondContact CG-O 3.37Å
37Q86.2Confident82.7Confident19 Ų1945.5 Ų45.59%0.08924%0.236CC..EExtended strand (participates in β ladder)trans-142.7141.8-172.2-171.4178.959.900112.4A35 I39 T58 R60 S94 V95A35-Q37 PolarHBondContact O-N 3.14Å; Q37-I39 HydrophobicContact CG-CG1 4.31Å; Q37-T58 CarbonylContact C-O 3.55Å; Q37-T58 WeakPolarHBondContact CA-O 3.09Å; Q37-R60 VanDerWaalsContact NE2-CZ 3.28Å; Q37-S94 WeakPolarHBondContact O-CA 3.33Å; Q37-S94 PolarHBondContact OE1-OG 3.08Å; Q37-V95 PolarHBondContact O-N 3.48Å
38V88Confident81.4Confident0 Ų050.5 Ų50.50%026%0.259CS..EExtended strand (participates in β ladder)trans-116.7123.1172.1-175.10000108.3L27 V31 I40 L54 T58 V59 R60 V95 V97L27-V38 HydrophobicContact CD1-CG1 4.31Å; L27-V38 HydrophobicContact CD2-CG1 3.96Å; L27-V38 HydrophobicContact CD2-CG2 4.35Å; V31-V38 HydrophobicContact CG2-CG2 3.44Å; V31-V38 VanDerWaalsContact CG2-CG2 3.44Å; V38-I40 HydrophobicContact CG1-CD1 4.23Å; V38-I40 HydrophobicContact CG1-CG1 3.87Å; V38-L54 HydrophobicContact CG2-CD1 4.27Å; V38-T58 PolarHBondContact N-O 3.38Å; V38-V59 CarbonylContact O-C 3.51Å; V38-V59 WeakPolarHBondContact O-CA 3.26Å; V38-R60 PolarHBondContact O-N 3.42Å; V38-V95 CarbonylContact C-O 3.49Å; V38-V95 WeakPolarHBondContact CA-O 3.34Å; V38-V95 HydrophobicContact CG2-CB 4.47Å; V38-V97 HydrophobicContact CG1-CG2 4.2Å
39I87.8Confident80.4Confident0 Ų052.9 Ų52.90%027%0.274CS..EExtended strand (participates in β ladder)trans-109.5125.5176-56.6158.3000107Q37 F41 R60 V62 Y85 F86 I89 V95 V96 V97Q37-I39 HydrophobicContact CG-CG1 4.31Å; I39-F41 HydrophobicContact CG2-CD2 4.02Å; I39-F41 HydrophobicContact CG2-CE2 3.53Å; I39-F41 HydrophobicContact CG2-CZ 3.94Å; I39-R60 CarbonylContact C-O 3.53Å; I39-R60 WeakPolarHBondContact CA-O 3.26Å; I39-V62 HydrophobicContact CG2-CG2 4.03Å; I39-Y85 HydrophobicContact CG2-CE1 4.2Å; I39-F86 HydrophobicContact CD1-CD1 4.48Å; I39-F86 HydrophobicContact CD1-CE1 4.18Å; I39-I89 HydrophobicContact CD1-CD1 3.44Å; I39-I89 VanDerWaalsContact CD1-CD1 3.44Å; I39-I89 HydrophobicContact CD1-CG2 4.22Å; I39-I89 HydrophobicContact CG1-CD1 4.1Å; I39-V95 PolarHBondContact N-O 3.37Å; I39-V96 HydrophobicContact CB-CG2 4.48Å; I39-V96 HydrophobicContact CD1-CG2 4.23Å; I39-V96 CarbonylContact O-C 3.55Å; I39-V96 WeakPolarHBondContact O-CA 3.22Å; I39-V97 PolarHBondContact O-N 3.08Å
40I88Confident79.7Confident0 Ų054.8 Ų54.80%028%0.283CS..EExtended strand (participates in β ladder)trans-118113.2-174.7-52.8176.9000107.4V38 I46 W51 V59 R60 V62 V97V38-I40 HydrophobicContact CG1-CD1 4.23Å; V38-I40 HydrophobicContact CG1-CG1 3.87Å; I40-I46 HydrophobicContact CG2-CD1 3.63Å; I40-W51 HydrophobicContact CD1-CD2 3.35Å; I40-W51 HydrophobicContact CD1-CE3 3.51Å; I40-W51 HydrophobicContact CD1-CG 4.04Å; I40-W51 HydrophobicContact CD1-CH2 3.61Å; I40-W51 HydrophobicContact CD1-CZ2 3.48Å; I40-W51 VanDerWaalsContact CD1-CZ2 3.48Å; I40-W51 HydrophobicContact CD1-CZ3 3.64Å; I40-W51 HydrophobicContact CG2-CZ2 4.14Å; I40-V59 HydrophobicContact CD1-CG1 3.74Å; I40-V59 HydrophobicContact CG1-CG1 4.39Å; I40-R60 PolarHBondContact N-O 2.95Å; I40-V62 PolarHBondContact O-N 3.24Å; I40-V97 HydrophobicContact CG1-CB 4.38Å; I40-V97 HydrophobicContact CG1-CG2 4.47Å; I40-V97 HydrophobicContact CG2-CB 4.4Å
41F86Confident79.2Confident0 Ų055 Ų550%028%0.283CS..EExtended strand (participates in β ladder)trans-97.5116.7173.2-71.6-80.2000108.2I39 V62 L64 F68 L82 Y85 F86 V96 V97 L98 D99I39-F41 HydrophobicContact CG2-CD2 4.02Å; I39-F41 HydrophobicContact CG2-CE2 3.53Å; I39-F41 HydrophobicContact CG2-CZ 3.94Å; F41-V62 HydrophobicContact CD1-CB 3.72Å; F41-V62 HydrophobicContact CD1-CG1 3.84Å; F41-V62 HydrophobicContact CD1-CG2 4.37Å; F41-V62 HydrophobicContact CE1-CB 3.86Å; F41-V62 HydrophobicContact CE1-CG1 3.74Å; F41-V62 HydrophobicContact CE1-CG2 4.14Å; F41-V62 HydrophobicContact CG-CB 4.5Å; F41-L64 HydrophobicContact CB-CD1 3.66Å; F41-L64 HydrophobicContact CB-CD2 3.99Å; F41-L64 HydrophobicContact CB-CG 3.73Å; F41-L64 HydrophobicContact CD1-CD2 3.43Å; F41-L64 VanDerWaalsContact CD1-CD2 3.43Å; F41-L64 HydrophobicContact CD1-CG 3.88Å; F41-L64 HydrophobicContact CE1-CD2 4.23Å; F41-L64 HydrophobicContact CG-CD2 4.05Å; F41-L64 HydrophobicContact CG-CG 4.27Å; F41-F68 HydrophobicContact CD1-CE2 4.18Å; F41-F68 AromaticContact CE1-CE2 3.79Å; F41-F68 HydrophobicContact CE1-CE2 3.79Å; F41-F68 AromaticContact CE1-CZ 3.95Å; F41-F68 HydrophobicContact CE1-CZ 3.95Å; F41-L82 HydrophobicContact CD1-CD2 4.4Å; F41-L82 HydrophobicContact CE1-CD2 3.64Å; F41-L82 HydrophobicContact CE2-CD2 4.46Å; F41-L82 HydrophobicContact CZ-CD2 3.67Å; F41-Y85 HydrophobicContact CE1-CD1 4.2Å; F41-Y85 HydrophobicContact CE1-CE1 4.16Å; F41-Y85 AromaticContact CZ-CD1 3.78Å; F41-Y85 HydrophobicContact CZ-CD1 3.78Å; F41-Y85 AromaticContact CZ-CE1 3.77Å; F41-Y85 HydrophobicContact CZ-CE1 3.77Å; F41-F86 AromaticContact CE2-CE1 3.96Å; F41-F86 HydrophobicContact CE2-CE1 3.96Å; F41-F86 AromaticContact CE2-CZ 3.66Å; F41-F86 HydrophobicContact CE2-CZ 3.66Å; F41-F86 HydrophobicContact CZ-CE1 4.11Å; F41-F86 AromaticContact CZ-CZ 3.84Å; F41-F86 HydrophobicContact CZ-CZ 3.84Å; F41-V96 HydrophobicContact CD2-CG1 3.46Å; F41-V96 VanDerWaalsContact CD2-CG1 3.46Å; F41-V96 HydrophobicContact CE2-CG1 3.42Å; F41-V96 VanDerWaalsContact CE2-CG1 3.42Å; F41-V97 PolarHBondContact N-O 2.8Å; F41-L98 HydrophobicContact CB-CD2 3.92Å; F41-L98 HydrophobicContact CD2-CD2 4.08Å; F41-L98 HydrophobicContact CG-CD2 4.22Å; F41-D99 PolarHBondContact O-N 2.85Å
42S83.7Confident78.6Confident1 Ų160.1 Ų60.11%0.00731%0.305CS..EExtended strand (participates in β ladder)trans-135.1150.5176.2-171.50000110.5R44 V62 L64 D99S42-R44 PolarHBondContact OG-N 3.32Å; S42-V62 PolarHBondContact N-O 3.08Å; S42-L64 PolarHBondContact O-N 2.88Å; S42-D99 WeakPolarHBondContact CA-O 3.31Å; S42-D99 PolarHBondContact OG-O 3.46Å; S42-D99 PolarHBondContact OG-OD2 3.48Å; S42-D99 VanDerWaalsContact OG-OD2 3.09Å
43D75.7Confident78.2Confident41 Ų4152.9 Ų52.922%0.21927%0.274CS..SBendtrans-88-17.1169.658.50.8000112.3C100 S103D43-C100 HydrophobicContact CB-CB 4.32Å; D43-S103 WeakPolarHBondContact CB-OG 3.5Å; D43-S103 WeakPolarHBondContact OD2-CB 3.46Å; D43-S103 PolarHBondContact OD2-OG 3.41Å
44R75.6Confident77.9Confident126 Ų12649.8 Ų49.848%0.47526%0.255SS..SBendtrans-86.4149.8177.5-70.1-179.7-68.2-152.2-8.7110.8S42 I46 D99S42-R44 PolarHBondContact OG-N 3.32Å; R44-I46 PolarHBondContact O-N 3.41Å; R44-D99 IonicContact CZ-OD2 3.67Å; R44-D99 IonicContact NE-OD2 3.68Å; R44-D99 IonicContact NH2-OD1 3.16Å; R44-D99 PolarHBondContact NH2-OD1 3.37Å; R44-D99 IonicContact NH2-OD2 2.79Å; R44-D99 PolarHBondContact NH2-OD2 2.71Å
45P66.5Low77.4Confident125 Ų12553.6 Ų53.681%0.81228%0.276SS*.  trans-64.991.2167.428-32.6000108.6L47P45-L47 PolarHBondContact O-N 3.46Å
46I65.6Low76.9Confident36 Ų3657.8 Ų57.819%0.18530%0.303CS..  trans-68.6124.4172.2-73.6-178.9000107.8I40 R44 W51 V61I40-I46 HydrophobicContact CG2-CD1 3.63Å; R44-I46 PolarHBondContact O-N 3.41Å; I46-W51 VanDerWaalsContact CG2-CD1 3.45Å; I46-V61 HydrophobicContact CB-CG1 3.92Å; I46-V61 HydrophobicContact CD1-CG1 4.11Å; I46-V61 HydrophobicContact CG2-CG1 3.99Å; I46-V61 HydrophobicContact CG2-CG2 4.2Å
47L63.9Low76.5Confident112 Ų11258.7 Ų58.759%0.58631%0.311SS*.  trans-75.6133.4167.9-66.1170.4000107.8P45 D49 D50P45-L47 PolarHBondContact O-N 3.46Å; L47-D49 HydrophobicContact CB-CB 4.4Å; L47-D49 PolarHBondContact O-N 2.97Å; L47-D49 VanDerWaalsContact O-N 3.09Å; L47-D50 WeakPolarHBondContact O-CB 3.45Å; L47-D50 PolarHBondContact O-N 3.32Å
48H62.5Low76.2Confident104 Ų10458.6 Ų58.648%0.48131%0.312SS..G310 helixtrans-57.9-26.6177.8-156.9-56000111.5D50 W51H48-D50 PolarHBondContact O-N 2.88Å; H48-W51 PolarHBondContact O-N 3.33Å; H48-W51 VanDerWaalsContact O-N 3.14Å
49D68.3Low76.1Confident107 Ų10759.1 Ų59.157%0.57232%0.315SS*.G310 helixtrans-57.7-31.1175.2-57.24.1000112.5L47 W51 E52L47-D49 HydrophobicContact CB-CB 4.4Å; L47-D49 PolarHBondContact O-N 2.97Å; L47-D49 VanDerWaalsContact O-N 3.09Å; D49-W51 PolarHBondContact O-N 3Å; D49-W51 VanDerWaalsContact O-N 3.07Å; D49-E52 PolarHBondContact O-N 3.25Å
50D74Confident75.8Confident74 Ų7464.3 Ų64.340%0.39633%0.334SS..G310 helixtrans-63.4-19.8179.2-73.2-46.6000112.9K24 L47 H48 F53K24-D50 WeakPolarHBondContact CE-O 3.36Å; K24-D50 PolarHBondContact NZ-O 3.1Å; L47-D50 WeakPolarHBondContact O-CB 3.45Å; L47-D50 PolarHBondContact O-N 3.32Å; H48-D50 PolarHBondContact O-N 2.88Å; D50-F53 WeakPolarHBondContact O-CE1 3.44Å
51W78.3Confident75.6Confident6 Ų667.1 Ų67.12%0.02335%0.352CS..G310 helixtrans-117.18.2-172.1-57.199.2000114.1W20 L23 K24 L27 I40 I46 H48 D49 F53 L54 V59W20-W51 HydrophobicContact CE3-CH2 4.31Å; W20-W51 HydrophobicContact CE3-CZ2 4.48Å; W20-W51 HydrophobicContact CH2-CZ2 4.41Å; W20-W51 AromaticContact CZ3-CH2 3.69Å; W20-W51 HydrophobicContact CZ3-CH2 3.69Å; W20-W51 AromaticContact CZ3-CZ2 3.66Å; W20-W51 HydrophobicContact CZ3-CZ2 3.66Å; L23-W51 HydrophobicContact CD2-CH2 4.33Å; K24-W51 HydrophobicContact CG-CZ3 4.25Å; L27-W51 HydrophobicContact CD1-CH2 4.18Å; L27-W51 HydrophobicContact CD1-CZ3 3.64Å; I40-W51 HydrophobicContact CD1-CD2 3.35Å; I40-W51 HydrophobicContact CD1-CE3 3.51Å; I40-W51 HydrophobicContact CD1-CG 4.04Å; I40-W51 HydrophobicContact CD1-CH2 3.61Å; I40-W51 HydrophobicContact CD1-CZ2 3.48Å; I40-W51 VanDerWaalsContact CD1-CZ2 3.48Å; I40-W51 HydrophobicContact CD1-CZ3 3.64Å; I40-W51 HydrophobicContact CG2-CZ2 4.14Å; I46-W51 VanDerWaalsContact CG2-CD1 3.45Å; H48-W51 PolarHBondContact O-N 3.33Å; H48-W51 VanDerWaalsContact O-N 3.14Å; D49-W51 PolarHBondContact O-N 3Å; D49-W51 VanDerWaalsContact O-N 3.07Å; W51-F53 HydrophobicContact CD2-CE1 4.28Å; W51-F53 AromaticContact CE3-CE1 3.47Å; W51-F53 HydrophobicContact CE3-CE1 3.47Å; W51-F53 VanDerWaalsContact CE3-CE1 3.47Å; W51-F53 AromaticContact CE3-CZ 3.56Å; W51-F53 HydrophobicContact CE3-CZ 3.56Å; W51-F53 AromaticContact CZ3-CE1 3.99Å; W51-F53 HydrophobicContact CZ3-CE1 3.99Å; W51-F53 AromaticContact CZ3-CZ 3.76Å; W51-F53 HydrophobicContact CZ3-CZ 3.76Å; W51-F53 PolarHBondContact O-N 3.32Å; W51-L54 HydrophobicContact CE3-CD1 4.25Å; W51-L54 PolarHBondContact O-N 2.97Å; W51-V59 HydrophobicContact CB-CG1 4.29Å; W51-V59 HydrophobicContact CG-CG1 4.42Å
52E75.6Confident75.4Confident139 Ų13967.4 Ų67.465%0.6535%0.353SS*.THydrogen-bonded Turntrans-56.6-21.9177.8-78179.8177.200114.3D49 L54D49-E52 PolarHBondContact O-N 3.25Å; E52-L54 PolarHBondContact O-N 3.34Å
53F77Confident75.2Confident40 Ų4070.8 Ų70.818%0.17537%0.371CS..THydrogen-bonded Turntrans-68.2-15176.173.3-86.2000113.3K24 K28 D50 W51 Y187K24-F53 HydrophobicContact CB-CE1 3.94Å; K24-F53 HydrophobicContact CB-CE2 3.81Å; K24-F53 HydrophobicContact CB-CZ 3.48Å; K24-F53 VanDerWaalsContact CB-CZ 3.48Å; K24-F53 HydrophobicContact CD-CD1 4.11Å; K24-F53 HydrophobicContact CD-CE1 3.52Å; K24-F53 HydrophobicContact CD-CZ 3.98Å; K24-F53 HydrophobicContact CG-CD1 4.46Å; K24-F53 HydrophobicContact CG-CE1 3.53Å; K24-F53 HydrophobicContact CG-CE2 4.28Å; K24-F53 HydrophobicContact CG-CZ 3.43Å; K24-F53 VanDerWaalsContact CG-CZ 3.43Å; K24-F53 WeakPolarHBondContact O-CE2 3.29Å; K28-F53 HydrophobicContact CB-CD2 4.36Å; K28-F53 HydrophobicContact CB-CE2 4.31Å; K28-F53 HydrophobicContact CD-CD2 4.49Å; D50-F53 WeakPolarHBondContact O-CE1 3.44Å; W51-F53 HydrophobicContact CD2-CE1 4.28Å; W51-F53 AromaticContact CE3-CE1 3.47Å; W51-F53 HydrophobicContact CE3-CE1 3.47Å; W51-F53 VanDerWaalsContact CE3-CE1 3.47Å; W51-F53 AromaticContact CE3-CZ 3.56Å; W51-F53 HydrophobicContact CE3-CZ 3.56Å; W51-F53 AromaticContact CZ3-CE1 3.99Å; W51-F53 HydrophobicContact CZ3-CE1 3.99Å; W51-F53 AromaticContact CZ3-CZ 3.76Å; W51-F53 HydrophobicContact CZ3-CZ 3.76Å; W51-F53 PolarHBondContact O-N 3.32Å; F53-Y187 HydrophobicContact CB-CD2 3.75Å; F53-Y187 HydrophobicContact CB-CE2 4.15Å; F53-Y187 AromaticContact CD1-CD2 3.9Å; F53-Y187 HydrophobicContact CD1-CD2 3.9Å; F53-Y187 AromaticContact CD1-CE2 3.91Å; F53-Y187 HydrophobicContact CD1-CE2 3.91Å; F53-Y187 HydrophobicContact CD2-CD2 4.03Å; F53-Y187 AromaticContact CG-CD2 3.61Å; F53-Y187 HydrophobicContact CG-CD2 3.61Å; F53-Y187 HydrophobicContact CG-CE2 4.05Å
54L80.1Confident75.2Confident7 Ų768.8 Ų68.84%0.03736%0.361CS..SBendtrans-101.9156.2170.4-63.8177000110K28 V31 V38 W51 E52 V59K28-L54 HydrophobicContact CB-CD2 4.39Å; V31-L54 HydrophobicContact CB-CD2 4.39Å; V31-L54 HydrophobicContact CG2-CD2 4.1Å; V38-L54 HydrophobicContact CG2-CD1 4.27Å; W51-L54 HydrophobicContact CE3-CD1 4.25Å; W51-L54 PolarHBondContact O-N 2.97Å; E52-L54 PolarHBondContact O-N 3.34Å; L54-V59 HydrophobicContact CB-CG2 3.44Å; L54-V59 VanDerWaalsContact CB-CG2 3.44Å; L54-V59 HydrophobicContact CD1-CG2 3.43Å; L54-V59 VanDerWaalsContact CD1-CG2 3.43Å; L54-V59 HydrophobicContact CG-CG2 4.05Å
55I77Confident75.1Confident105 Ų10569.8 Ų69.854%0.53837%0.366SS..  trans-65.9129175.8-55.8171.2000107.7S57 T58I55-S57 VanDerWaalsContact CG2-OG 3.28Å; I55-S57 WeakPolarHBondContact CG2-OG 3.41Å; I55-S57 PolarHBondContact O-N 2.91Å; I55-T58 HydrophobicContact CB-CG2 3.92Å; I55-T58 HydrophobicContact CD1-CG2 4.5Å; I55-T58 WeakPolarHBondContact O-CB 3.4Å; I55-T58 PolarHBondContact O-N 3.34Å; I55-T58 PolarHBondContact O-OG1 3.42Å
56P71Confident75.3Confident89 Ų8965.3 Ų65.358%0.57834%0.339SS*.G310 helixtrans-54.8-32.1-176.3-29.235000114.3T58 V59P56-T58 PolarHBondContact O-N 3.28Å; P56-V59 PolarHBondContact O-N 2.64Å
57S74.9Confident75.6Confident102 Ų10267.9 Ų67.971%0.71335%0.353SS*.G310 helixtrans-70.5-16.5176.657.30000114.4I55I55-S57 VanDerWaalsContact CG2-OG 3.28Å; I55-S57 WeakPolarHBondContact CG2-OG 3.41Å; I55-S57 PolarHBondContact O-N 2.91Å
58T81.3Confident76Confident16 Ų1663 Ų6310%0.09833%0.327CS..G310 helixtrans-91.7-17.4-179.4640000112.7V31 Q37 V38 I55 P56V31-T58 HydrophobicContact CG1-CG2 4.25Å; Q37-T58 CarbonylContact C-O 3.55Å; Q37-T58 WeakPolarHBondContact CA-O 3.09Å; V38-T58 PolarHBondContact N-O 3.38Å; I55-T58 HydrophobicContact CB-CG2 3.92Å; I55-T58 HydrophobicContact CD1-CG2 4.5Å; I55-T58 WeakPolarHBondContact O-CB 3.4Å; I55-T58 PolarHBondContact O-N 3.34Å; I55-T58 PolarHBondContact O-OG1 3.42Å; P56-T58 PolarHBondContact O-N 3.28Å
59V84.8Confident76.4Confident11 Ų1158.4 Ų58.47%0.06731%0.306CS..EExtended strand (participates in β ladder)trans-107.9130.5-175.5-1750000110.5V38 I40 W51 L54 P56 V61V38-V59 CarbonylContact O-C 3.51Å; V38-V59 WeakPolarHBondContact O-CA 3.26Å; I40-V59 HydrophobicContact CD1-CG1 3.74Å; I40-V59 HydrophobicContact CG1-CG1 4.39Å; W51-V59 HydrophobicContact CB-CG1 4.29Å; W51-V59 HydrophobicContact CG-CG1 4.42Å; L54-V59 HydrophobicContact CB-CG2 3.44Å; L54-V59 VanDerWaalsContact CB-CG2 3.44Å; L54-V59 HydrophobicContact CD1-CG2 3.43Å; L54-V59 VanDerWaalsContact CD1-CG2 3.43Å; L54-V59 HydrophobicContact CG-CG2 4.05Å; P56-V59 PolarHBondContact O-N 2.64Å; V59-V61 HydrophobicContact CG1-CG2 4.08Å
60R82.7Confident76.3Confident109 Ų10959.8 Ų59.841%0.41131%0.307SS..EExtended strand (participates in β ladder)trans-120.8117.3167.7-67.9-171.3178.7176.26.7108.9Q37 V38 I39 I40Q37-R60 VanDerWaalsContact NE2-CZ 3.28Å; V38-R60 PolarHBondContact O-N 3.42Å; I39-R60 CarbonylContact C-O 3.53Å; I39-R60 WeakPolarHBondContact CA-O 3.26Å; I40-R60 PolarHBondContact N-O 2.95Å
61V82.7Confident75.8Confident59 Ų5960.7 Ų60.736%0.35831%0.312SS..EExtended strand (participates in β ladder)trans-95.5129.4174.4-177.50000108.6I46 V59I46-V61 HydrophobicContact CB-CG1 3.92Å; I46-V61 HydrophobicContact CD1-CG1 4.11Å; I46-V61 HydrophobicContact CG2-CG1 3.99Å; I46-V61 HydrophobicContact CG2-CG2 4.2Å; V59-V61 HydrophobicContact CG1-CG2 4.08Å
62V82Confident74.9Confident6 Ų664.5 Ų64.54%0.03633%0.332CS..EExtended strand (participates in β ladder)trans-122.3117.1-178.8-172.40000108.2I39 I40 F41 S42 L64 F68 Y85I39-V62 HydrophobicContact CG2-CG2 4.03Å; I40-V62 PolarHBondContact O-N 3.24Å; F41-V62 HydrophobicContact CD1-CB 3.72Å; F41-V62 HydrophobicContact CD1-CG1 3.84Å; F41-V62 HydrophobicContact CD1-CG2 4.37Å; F41-V62 HydrophobicContact CE1-CB 3.86Å; F41-V62 HydrophobicContact CE1-CG1 3.74Å; F41-V62 HydrophobicContact CE1-CG2 4.14Å; F41-V62 HydrophobicContact CG-CB 4.5Å; S42-V62 PolarHBondContact N-O 3.08Å; V62-L64 PolarHBondContact O-N 3.02Å; V62-F68 HydrophobicContact CG1-CE2 3.9Å; V62-Y85 HydrophobicContact CG2-CE1 3.83Å; V62-Y85 HydrophobicContact CG2-CE2 4.4Å; V62-Y85 WeakPolarHBondContact CG2-OH 3.3Å
63D79.9Confident74.1Confident72 Ų7264.9 Ų64.939%0.38534%0.339SS..EExtended strand (participates in β ladder)trans-70.7112.5171179.3-18.8000108.8Y65 A66 N67D63-Y65 WeakPolarHBondContact OD1-CA 3.49Å; D63-Y65 WeakPolarHBondContact OD1-CB 3.45Å; D63-Y65 PolarHBondContact OD1-N 3.19Å; D63-A66 HydrophobicContact CB-CB 3.94Å; D63-A66 VanDerWaalsContact CG-CB 3.42Å; D63-A66 PolarHBondContact OD1-N 3.36Å; D63-A66 VanDerWaalsContact OD2-CB 3.28Å; D63-A66 WeakPolarHBondContact OD2-CB 3.14Å; D63-N67 WeakPolarHBondContact O-CB 3.27Å; D63-N67 PolarHBondContact O-N 3.38Å; D63-N67 PolarHBondContact O-ND2 3.15Å
64L76.3Confident73.5Confident0 Ų065.6 Ų65.60%035%0.348CS..Hα-helixtrans-70.1-36.9179.7-82169.4000112.7F41 S42 V62 N67 F68 F69 F78 C100F41-L64 HydrophobicContact CB-CD1 3.66Å; F41-L64 HydrophobicContact CB-CD2 3.99Å; F41-L64 HydrophobicContact CB-CG 3.73Å; F41-L64 HydrophobicContact CD1-CD2 3.43Å; F41-L64 VanDerWaalsContact CD1-CD2 3.43Å; F41-L64 HydrophobicContact CD1-CG 3.88Å; F41-L64 HydrophobicContact CE1-CD2 4.23Å; F41-L64 HydrophobicContact CG-CD2 4.05Å; F41-L64 HydrophobicContact CG-CG 4.27Å; S42-L64 PolarHBondContact O-N 2.88Å; V62-L64 PolarHBondContact O-N 3.02Å; L64-N67 PolarHBondContact O-N 3.21Å; L64-F68 HydrophobicContact CD2-CD2 3.47Å; L64-F68 VanDerWaalsContact CD2-CD2 3.47Å; L64-F68 HydrophobicContact CD2-CE2 3.84Å; L64-F68 HydrophobicContact CD2-CG 4.19Å; L64-F68 HydrophobicContact CG-CD2 4.47Å; L64-F68 WeakPolarHBondContact O-CA 3.31Å; L64-F68 PolarHBondContact O-N 2.98Å; L64-F69 HydrophobicContact CB-CD2 4.13Å; L64-F69 HydrophobicContact CB-CE2 3.89Å; L64-F69 PolarHBondContact O-N 2.88Å; L64-F69 VanDerWaalsContact O-N 3.13Å; L64-F78 HydrophobicContact CD2-CE2 4.3Å; L64-F78 HydrophobicContact CD2-CZ 4.42Å; L64-C100 HydrophobicContact CD1-CB 3.18Å; L64-C100 WeakPolarHBondContact CD1-SG 3.39Å
65Y72.9Confident72.7Confident147 Ų14769.7 Ų69.758%0.57637%0.367SS*.Hα-helixtrans-64.4-48.5-180-172.5-96.8000110.5D63 N67 F69 K70D63-Y65 WeakPolarHBondContact OD1-CA 3.49Å; D63-Y65 WeakPolarHBondContact OD1-CB 3.45Å; D63-Y65 PolarHBondContact OD1-N 3.19Å; Y65-N67 VanDerWaalsContact C-N 3.35Å; Y65-N67 PolarHBondContact O-N 2.81Å; Y65-F69 HydrophobicContact CD2-CB 3.96Å; Y65-F69 HydrophobicContact CE2-CB 4.45Å; Y65-K70 WeakPolarHBondContact O-CG 3.43Å; Y65-K70 PolarHBondContact O-N 2.87Å
66A71.6Confident72.1Confident31 Ų3168.5 Ų68.526%0.25637%0.369SS..Hα-helixtrans-66.4-33.7179.600000113.9D63 K70D63-A66 HydrophobicContact CB-CB 3.94Å; D63-A66 VanDerWaalsContact CG-CB 3.42Å; D63-A66 PolarHBondContact OD1-N 3.36Å; D63-A66 VanDerWaalsContact OD2-CB 3.28Å; D63-A66 WeakPolarHBondContact OD2-CB 3.14Å; A66-K70 WeakPolarHBondContact O-CD 3.15Å
67N71.9Confident72.1Confident90 Ų9066.1 Ų66.148%0.48135%0.353SS..Hα-helixtrans-96.8-35.5-172.7-69.4-59.2000113.9D63 L64 Y65 Q81D63-N67 WeakPolarHBondContact O-CB 3.27Å; D63-N67 PolarHBondContact O-N 3.38Å; D63-N67 PolarHBondContact O-ND2 3.15Å; L64-N67 PolarHBondContact O-N 3.21Å; Y65-N67 VanDerWaalsContact C-N 3.35Å; Y65-N67 PolarHBondContact O-N 2.81Å; N67-Q81 PolarHBondContact O-OE1 3.49Å
68F71.9Confident72.1Confident9 Ų961.4 Ų61.44%0.03932%0.32CS..THydrogen-bonded Turntrans-120.7-40.3-168.4-55.2-89.9000113.5F41 V62 L64 F78 Q81 L82 Y85F41-F68 HydrophobicContact CD1-CE2 4.18Å; F41-F68 AromaticContact CE1-CE2 3.79Å; F41-F68 HydrophobicContact CE1-CE2 3.79Å; F41-F68 AromaticContact CE1-CZ 3.95Å; F41-F68 HydrophobicContact CE1-CZ 3.95Å; V62-F68 HydrophobicContact CG1-CE2 3.9Å; L64-F68 HydrophobicContact CD2-CD2 3.47Å; L64-F68 VanDerWaalsContact CD2-CD2 3.47Å; L64-F68 HydrophobicContact CD2-CE2 3.84Å; L64-F68 HydrophobicContact CD2-CG 4.19Å; L64-F68 HydrophobicContact CG-CD2 4.47Å; L64-F68 WeakPolarHBondContact O-CA 3.31Å; L64-F68 PolarHBondContact O-N 2.98Å; F68-F78 HydrophobicContact CB-CD2 3.68Å; F68-F78 HydrophobicContact CB-CE2 3.7Å; F68-F78 HydrophobicContact CD1-CD2 4.39Å; F68-F78 HydrophobicContact CD1-CE2 4.43Å; F68-F78 HydrophobicContact CG-CD2 4.29Å; F68-F78 HydrophobicContact CG-CE2 4.1Å; F68-Q81 HydrophobicContact CD1-CB 3.62Å; F68-Q81 HydrophobicContact CE1-CB 3.71Å; F68-L82 HydrophobicContact CD1-CD2 4.27Å; F68-L82 HydrophobicContact CD1-CG 4.22Å; F68-L82 HydrophobicContact CE1-CB 4.41Å; F68-L82 HydrophobicContact CE1-CD2 3.62Å; F68-L82 HydrophobicContact CE1-CG 3.86Å; F68-L82 HydrophobicContact CE2-CD2 4.23Å; F68-L82 HydrophobicContact CZ-CD2 3.6Å; F68-L82 HydrophobicContact CZ-CG 4.35Å; F68-Y85 HydrophobicContact CZ-CG 4.44Å
69F69.4Low71.7Confident8 Ų861.2 Ų61.24%0.03532%0.318CS..G310 helixtrans-79.9-18.7-178.2-63.9-67.9000114.1L64 Y65 N71 L72 L104 C107 Y108L64-F69 HydrophobicContact CB-CD2 4.13Å; L64-F69 HydrophobicContact CB-CE2 3.89Å; L64-F69 PolarHBondContact O-N 2.88Å; L64-F69 VanDerWaalsContact O-N 3.13Å; Y65-F69 HydrophobicContact CD2-CB 3.96Å; Y65-F69 HydrophobicContact CE2-CB 4.45Å; F69-N71 PolarHBondContact O-N 3.1Å; F69-L72 HydrophobicContact CB-CD1 4.46Å; F69-L72 HydrophobicContact CD1-CD2 4.23Å; F69-L72 WeakPolarHBondContact O-CD1 3.48Å; F69-L72 VanDerWaalsContact O-CG 3.23Å; F69-L72 WeakPolarHBondContact O-CG 3.25Å; F69-L104 HydrophobicContact CE1-CD2 4.17Å; F69-L104 HydrophobicContact CZ-CD2 3.79Å; F69-L104 HydrophobicContact CZ-CG 4.14Å; F69-C107 HydrophobicContact CD1-CB 4.33Å; F69-C107 HydrophobicContact CE1-CB 4.01Å; F69-Y108 HydrophobicContact CE1-CE2 4.09Å
70K67Low71.4Confident135 Ų13563.2 Ų63.259%0.58734%0.336SS*.G310 helixtrans-60.5-28.5175.6-82.6-177.9-171.4159.70113.8Y65 A66Y65-K70 WeakPolarHBondContact O-CG 3.43Å; Y65-K70 PolarHBondContact O-N 2.87Å; A66-K70 WeakPolarHBondContact O-CD 3.15Å
71N63Low71.3Confident94 Ų9460.2 Ų60.250%0.50333%0.327SS..G310 helixtrans-116.254.4-175.5-67.4-31.3000111.5F69 N73F69-N71 PolarHBondContact O-N 3.1Å; N71-N73 PolarHBondContact O-N 2.68Å
72L59.8Low71.1Confident85 Ų8557.5 Ų57.545%0.44531%0.31SS..  trans-68.760.6176.6-79.5156.9000112.5F69 C107 Y108F69-L72 HydrophobicContact CB-CD1 4.46Å; F69-L72 HydrophobicContact CD1-CD2 4.23Å; F69-L72 WeakPolarHBondContact O-CD1 3.48Å; F69-L72 VanDerWaalsContact O-CG 3.23Å; F69-L72 WeakPolarHBondContact O-CG 3.25Å; L72-C107 HydrophobicContact CD2-CB 4.17Å; L72-Y108 HydrophobicContact CD2-CE1 4.41Å; L72-Y108 HydrophobicContact CD2-CE2 4.48Å
73N59.9Low70.9Confident148 Ų14860.6 Ų60.679%0.79132%0.324SS*.SBendtrans-94.2-17.7176-69.8-11000112.6N71N71-N73 PolarHBondContact O-N 2.68Å
74S63.5Low70.9Confident54 Ų5461.9 Ų61.938%0.37833%0.331SS..  trans-175.6157.6171.754.40000113.4S76 C77S74-S76 VanDerWaalsContact C-N 3.3Å; S74-S76 PolarHBondContact O-N 3.49Å; S74-S76 PolarHBondContact OG-OG 3.38Å; S74-C77 WeakPolarHBondContact O-CB 3.47Å; S74-C77 PolarHBondContact O-N 2.83Å
75E63.6Low71.1Confident93 Ų9364.6 Ų64.644%0.43534%0.342SS..Hα-helixtrans-54-42.4170.9-67170.3-166.500113C77 F78 I79 Y108 V112E75-C77 PolarHBondContact O-N 3.42Å; E75-C77 VanDerWaalsContact O-N 3.15Å; E75-F78 PolarHBondContact O-N 3.13Å; E75-F78 VanDerWaalsContact O-N 3.15Å; E75-I79 PolarHBondContact O-N 2.91Å; E75-Y108 HydrophobicContact CB-CE1 4.41Å; E75-Y108 HydrophobicContact CG-CD1 3.73Å; E75-Y108 HydrophobicContact CG-CE1 3.85Å; E75-V112 HydrophobicContact CG-CG1 3.73Å; E75-V112 WeakPolarHBondContact OE1-CG1 3.27Å; E75-V112 WeakPolarHBondContact OE1-CG2 2.95Å
76S63.1Low71.3Confident81 Ų8158.2 Ų58.257%0.56632%0.317SS*.Hα-helixtrans-59.2-26176.844.10000112.6S74 A80S74-S76 VanDerWaalsContact C-N 3.3Å; S74-S76 PolarHBondContact O-N 3.49Å; S74-S76 PolarHBondContact OG-OG 3.38Å; S76-A80 WeakPolarHBondContact O-CB 3.48Å; S76-A80 PolarHBondContact O-N 3.02Å; S76-A80 VanDerWaalsContact O-N 3.15Å
77C71.9Confident71.7Confident38 Ų3864.1 Ų64.126%0.25734%0.337SS..Hα-helixtrans-71.8-41178.9-155.50000111.4S74 E75 Q81S74-C77 WeakPolarHBondContact O-CB 3.47Å; S74-C77 PolarHBondContact O-N 2.83Å; E75-C77 PolarHBondContact O-N 3.42Å; E75-C77 VanDerWaalsContact O-N 3.15Å; C77-Q81 VanDerWaalsContact O-CB 3.27Å; C77-Q81 WeakPolarHBondContact O-CB 3.38Å; C77-Q81 WeakPolarHBondContact O-CG 3.49Å; C77-Q81 PolarHBondContact O-N 3.01Å; C77-Q81 PolarHBondContact SG-NE2 2.89Å
78F74.6Confident71.9Confident4 Ų464 Ų642%0.01834%0.34CS..Hα-helixtrans-63.7-50.1-179.5-179.1-91.6000111.9L64 F68 E75 Q81 L82 L104 L116L64-F78 HydrophobicContact CD2-CE2 4.3Å; L64-F78 HydrophobicContact CD2-CZ 4.42Å; F68-F78 HydrophobicContact CB-CD2 3.68Å; F68-F78 HydrophobicContact CB-CE2 3.7Å; F68-F78 HydrophobicContact CD1-CD2 4.39Å; F68-F78 HydrophobicContact CD1-CE2 4.43Å; F68-F78 HydrophobicContact CG-CD2 4.29Å; F68-F78 HydrophobicContact CG-CE2 4.1Å; E75-F78 PolarHBondContact O-N 3.13Å; E75-F78 VanDerWaalsContact O-N 3.15Å; F78-Q81 PolarHBondContact O-N 3.38Å; F78-L82 HydrophobicContact CD1-CD1 3.76Å; F78-L82 HydrophobicContact CD1-CG 4.31Å; F78-L82 HydrophobicContact CE1-CD1 3.12Å; F78-L82 HydrophobicContact CE1-CG 3.95Å; F78-L82 HydrophobicContact CZ-CD1 3.56Å; F78-L82 HydrophobicContact CZ-CG 4.12Å; F78-L82 WeakPolarHBondContact O-CB 3.37Å; F78-L82 PolarHBondContact O-N 2.97Å; F78-L104 HydrophobicContact CE1-CD2 4.18Å; F78-L104 HydrophobicContact CE2-CD2 4.09Å; F78-L104 HydrophobicContact CZ-CD2 3.75Å; F78-L116 HydrophobicContact CD1-CD1 3.67Å; F78-L116 HydrophobicContact CD1-CD2 4.12Å; F78-L116 HydrophobicContact CD1-CG 4.3Å; F78-L116 HydrophobicContact CE1-CD1 4.23Å; F78-L116 HydrophobicContact CE1-CD2 3.82Å; F78-L116 HydrophobicContact CE1-CG 4.49Å; F78-L116 HydrophobicContact CG-CD1 4.41Å
79I73.6Confident72.1Confident12 Ų1263.9 Ų63.96%0.06234%0.339CS..Hα-helixtrans-65.1-44.4-179.9-59.4-177.9000110.2E75 Q81 L82 E83 L116 R119E75-I79 PolarHBondContact O-N 2.91Å; I79-Q81 VanDerWaalsContact C-N 3.33Å; I79-Q81 PolarHBondContact O-N 3.15Å; I79-L82 PolarHBondContact O-N 3.41Å; I79-E83 HydrophobicContact CG2-CG 4.2Å; I79-E83 WeakPolarHBondContact CG2-OE1 3.37Å; I79-E83 WeakPolarHBondContact O-CB 3.43Å; I79-E83 WeakPolarHBondContact O-CG 3.06Å; I79-E83 PolarHBondContact O-N 3.4Å; I79-L116 HydrophobicContact CD1-CD1 4.13Å; I79-L116 HydrophobicContact CD1-CG 4.01Å; I79-L116 HydrophobicContact CG1-CD1 3.88Å; I79-L116 HydrophobicContact CG1-CG 4.01Å; I79-R119 HydrophobicContact CD1-CG 4.47Å
80A78.1Confident71.7Confident53 Ų5371.4 Ų71.444%0.43838%0.38SS..Hα-helixtrans-62.1-40.5178.400000112.3S76 E83 D84S76-A80 WeakPolarHBondContact O-CB 3.48Å; S76-A80 PolarHBondContact O-N 3.02Å; S76-A80 VanDerWaalsContact O-N 3.15Å; A80-E83 PolarHBondContact O-N 2.99Å; A80-D84 VanDerWaalsContact O-CB 3.31Å; A80-D84 WeakPolarHBondContact O-CB 3.37Å; A80-D84 PolarHBondContact O-N 3.15Å
81Q79.8Confident71.6Confident46 Ų4665.9 Ų65.922%0.21536%0.361CS..Hα-helixtrans-66.5-40.5175.1-751739.900111.7N67 F68 C77 F78 I79 D84 Y85N67-Q81 PolarHBondContact O-OE1 3.49Å; F68-Q81 HydrophobicContact CD1-CB 3.62Å; F68-Q81 HydrophobicContact CE1-CB 3.71Å; C77-Q81 VanDerWaalsContact O-CB 3.27Å; C77-Q81 WeakPolarHBondContact O-CB 3.38Å; C77-Q81 WeakPolarHBondContact O-CG 3.49Å; C77-Q81 PolarHBondContact O-N 3.01Å; C77-Q81 PolarHBondContact SG-NE2 2.89Å; F78-Q81 PolarHBondContact O-N 3.38Å; I79-Q81 VanDerWaalsContact C-N 3.33Å; I79-Q81 PolarHBondContact O-N 3.15Å; Q81-D84 PolarHBondContact O-N 3.38Å; Q81-Y85 VanDerWaalsContact O-CB 3.27Å; Q81-Y85 WeakPolarHBondContact O-CB 3.37Å; Q81-Y85 PolarHBondContact O-N 3.49Å
82L78.5Confident71.8Confident1 Ų167.6 Ų67.61%0.00537%0.366CS..Hα-helixtrans-64.5-45.5175.3-84.5-177000111.3F41 F68 F78 I79 D84 Y85 F86 L120F41-L82 HydrophobicContact CD1-CD2 4.4Å; F41-L82 HydrophobicContact CE1-CD2 3.64Å; F41-L82 HydrophobicContact CE2-CD2 4.46Å; F41-L82 HydrophobicContact CZ-CD2 3.67Å; F68-L82 HydrophobicContact CD1-CD2 4.27Å; F68-L82 HydrophobicContact CD1-CG 4.22Å; F68-L82 HydrophobicContact CE1-CB 4.41Å; F68-L82 HydrophobicContact CE1-CD2 3.62Å; F68-L82 HydrophobicContact CE1-CG 3.86Å; F68-L82 HydrophobicContact CE2-CD2 4.23Å; F68-L82 HydrophobicContact CZ-CD2 3.6Å; F68-L82 HydrophobicContact CZ-CG 4.35Å; F78-L82 HydrophobicContact CD1-CD1 3.76Å; F78-L82 HydrophobicContact CD1-CG 4.31Å; F78-L82 HydrophobicContact CE1-CD1 3.12Å; F78-L82 HydrophobicContact CE1-CG 3.95Å; F78-L82 HydrophobicContact CZ-CD1 3.56Å; F78-L82 HydrophobicContact CZ-CG 4.12Å; F78-L82 WeakPolarHBondContact O-CB 3.37Å; F78-L82 PolarHBondContact O-N 2.97Å; I79-L82 PolarHBondContact O-N 3.41Å; L82-D84 VanDerWaalsContact C-N 3.35Å; L82-D84 PolarHBondContact O-N 3.15Å; L82-Y85 WeakPolarHBondContact O-CB 3.43Å; L82-Y85 PolarHBondContact O-N 2.88Å; L82-F86 HydrophobicContact CB-CD2 4.38Å; L82-F86 HydrophobicContact CB-CE2 4.12Å; L82-F86 HydrophobicContact CD2-CE2 4.24Å; L82-F86 WeakPolarHBondContact O-CB 3.18Å; L82-F86 WeakPolarHBondContact O-CD2 3.29Å; L82-F86 WeakPolarHBondContact O-CG 3.32Å; L82-F86 PolarHBondContact O-N 2.86Å; L82-L120 HydrophobicContact CD1-CD1 4.04Å; L82-L120 HydrophobicContact CD1-CD2 3.98Å
83E78.2Confident72.7Confident71 Ų7168 Ų6833%0.33237%0.366SS..Hα-helixtrans-60.6-44.1176.3-75.8177.5-166.300111.3I79 A80 F86 K87 R119I79-E83 HydrophobicContact CG2-CG 4.2Å; I79-E83 WeakPolarHBondContact CG2-OE1 3.37Å; I79-E83 WeakPolarHBondContact O-CB 3.43Å; I79-E83 WeakPolarHBondContact O-CG 3.06Å; I79-E83 PolarHBondContact O-N 3.4Å; A80-E83 PolarHBondContact O-N 2.99Å; E83-F86 PolarHBondContact O-N 2.89Å; E83-K87 WeakPolarHBondContact O-CG 3.15Å; E83-K87 PolarHBondContact O-N 3.41Å; E83-R119 IonicContact OE1-NH2 2.66Å; E83-R119 PolarHBondContact OE1-NH2 3.05Å
84D80.8Confident73.9Confident100 Ų10061 Ų6154%0.53533%0.328SS..Hα-helixtrans-61.2-46.1175-168.457.3000111.1A80 Q81 L82 F86 K87 T88A80-D84 VanDerWaalsContact O-CB 3.31Å; A80-D84 WeakPolarHBondContact O-CB 3.37Å; A80-D84 PolarHBondContact O-N 3.15Å; Q81-D84 PolarHBondContact O-N 3.38Å; L82-D84 VanDerWaalsContact C-N 3.35Å; L82-D84 PolarHBondContact O-N 3.15Å; D84-F86 VanDerWaalsContact C-N 3.33Å; D84-F86 PolarHBondContact O-N 3.21Å; D84-K87 WeakPolarHBondContact O-CB 3.31Å; D84-K87 PolarHBondContact O-N 2.8Å; D84-K87 VanDerWaalsContact O-N 3.08Å; D84-T88 WeakPolarHBondContact O-CG2 3.44Å; D84-T88 PolarHBondContact O-N 2.81Å; D84-T88 VanDerWaalsContact O-N 3.14Å
85Y80.5Confident75.1Confident57 Ų5758.4 Ų58.422%0.22431%0.31CS..Hα-helixtrans-58-45.3174.4-177-102.3000111.5I39 F41 V62 F68 Q81 L82 K87 T88 I89I39-Y85 HydrophobicContact CG2-CE1 4.2Å; F41-Y85 HydrophobicContact CE1-CD1 4.2Å; F41-Y85 HydrophobicContact CE1-CE1 4.16Å; F41-Y85 AromaticContact CZ-CD1 3.78Å; F41-Y85 HydrophobicContact CZ-CD1 3.78Å; F41-Y85 AromaticContact CZ-CE1 3.77Å; F41-Y85 HydrophobicContact CZ-CE1 3.77Å; V62-Y85 HydrophobicContact CG2-CE1 3.83Å; V62-Y85 HydrophobicContact CG2-CE2 4.4Å; V62-Y85 WeakPolarHBondContact CG2-OH 3.3Å; F68-Y85 HydrophobicContact CZ-CG 4.44Å; Q81-Y85 VanDerWaalsContact O-CB 3.27Å; Q81-Y85 WeakPolarHBondContact O-CB 3.37Å; Q81-Y85 PolarHBondContact O-N 3.49Å; L82-Y85 WeakPolarHBondContact O-CB 3.43Å; L82-Y85 PolarHBondContact O-N 2.88Å; Y85-K87 VanDerWaalsContact C-N 3.3Å; Y85-K87 PolarHBondContact O-N 3.21Å; Y85-T88 PolarHBondContact O-N 3.37Å; Y85-T88 VanDerWaalsContact O-N 3.09Å; Y85-T88 PolarHBondContact O-OG1 3.28Å; Y85-I89 HydrophobicContact CD1-CD1 3.92Å; Y85-I89 HydrophobicContact CE1-CD1 3.32Å; Y85-I89 HydrophobicContact CE1-CG1 4.35Å; Y85-I89 PolarHBondContact O-N 3.42Å
86F77.6Confident76.3Confident13 Ų1354 Ų546%0.05729%0.29CS..Hα-helixtrans-68.1-25.1177-71.2-53.8000113.9I39 F41 L82 E83 D84 T88 I89 V96 R127 W129I39-F86 HydrophobicContact CD1-CD1 4.48Å; I39-F86 HydrophobicContact CD1-CE1 4.18Å; F41-F86 AromaticContact CE2-CE1 3.96Å; F41-F86 HydrophobicContact CE2-CE1 3.96Å; F41-F86 AromaticContact CE2-CZ 3.66Å; F41-F86 HydrophobicContact CE2-CZ 3.66Å; F41-F86 HydrophobicContact CZ-CE1 4.11Å; F41-F86 AromaticContact CZ-CZ 3.84Å; F41-F86 HydrophobicContact CZ-CZ 3.84Å; L82-F86 HydrophobicContact CB-CD2 4.38Å; L82-F86 HydrophobicContact CB-CE2 4.12Å; L82-F86 HydrophobicContact CD2-CE2 4.24Å; L82-F86 WeakPolarHBondContact O-CB 3.18Å; L82-F86 WeakPolarHBondContact O-CD2 3.29Å; L82-F86 WeakPolarHBondContact O-CG 3.32Å; L82-F86 PolarHBondContact O-N 2.86Å; E83-F86 PolarHBondContact O-N 2.89Å; D84-F86 VanDerWaalsContact C-N 3.33Å; D84-F86 PolarHBondContact O-N 3.21Å; F86-T88 VanDerWaalsContact C-N 3.33Å; F86-I89 PolarHBondContact O-N 2.86Å; F86-V96 HydrophobicContact CE1-CG1 4.43Å; F86-V96 HydrophobicContact CE1-CG2 3.84Å; F86-V96 HydrophobicContact CZ-CG1 4.18Å; F86-V96 HydrophobicContact CZ-CG2 4.18Å; F86-R127 PolarHBondContact O-NH2 2.75Å; F86-W129 AromaticContact CE2-CH2 3.55Å; F86-W129 HydrophobicContact CE2-CH2 3.55Å; F86-W129 AromaticContact CE2-CZ2 3.84Å; F86-W129 HydrophobicContact CE2-CZ2 3.84Å; F86-W129 AromaticContact CZ-CH2 3.4Å; F86-W129 HydrophobicContact CZ-CH2 3.4Å; F86-W129 AromaticContact CZ-CZ2 3.86Å; F86-W129 HydrophobicContact CZ-CZ2 3.86Å; F86-W129 HydrophobicContact CZ-CZ3 4.24Å
87K78.5Confident77.6Confident154 Ų15450.1 Ų50.167%0.6726%0.263SS*.Hα-helixtrans-69.5-31.5170.3-72.9169.3-172.4168.10111.9E83 D84 Y85 I89E83-K87 WeakPolarHBondContact O-CG 3.15Å; E83-K87 PolarHBondContact O-N 3.41Å; D84-K87 WeakPolarHBondContact O-CB 3.31Å; D84-K87 PolarHBondContact O-N 2.8Å; D84-K87 VanDerWaalsContact O-N 3.08Å; Y85-K87 VanDerWaalsContact C-N 3.3Å; Y85-K87 PolarHBondContact O-N 3.21Å; K87-I89 PolarHBondContact O-N 2.9Å
88T77.4Confident78.3Confident89 Ų8948.4 Ų48.455%0.54625%0.251SS..SBendtrans-73.2-12.8174.472.30000113.3D84 Y85 F86D84-T88 WeakPolarHBondContact O-CG2 3.44Å; D84-T88 PolarHBondContact O-N 2.81Å; D84-T88 VanDerWaalsContact O-N 3.14Å; Y85-T88 PolarHBondContact O-N 3.37Å; Y85-T88 VanDerWaalsContact O-N 3.09Å; Y85-T88 PolarHBondContact O-OG1 3.28Å; F86-T88 VanDerWaalsContact C-N 3.33Å
89I74.6Confident78.7Confident6 Ų648.8 Ų48.83%0.03125%0.253CS..  trans-98.8104.9179.9-60.2-176.7000109.8I39 Y85 F86 K87 G91I39-I89 HydrophobicContact CD1-CD1 3.44Å; I39-I89 VanDerWaalsContact CD1-CD1 3.44Å; I39-I89 HydrophobicContact CD1-CG2 4.22Å; I39-I89 HydrophobicContact CG1-CD1 4.1Å; Y85-I89 HydrophobicContact CD1-CD1 3.92Å; Y85-I89 HydrophobicContact CE1-CD1 3.32Å; Y85-I89 HydrophobicContact CE1-CG1 4.35Å; Y85-I89 PolarHBondContact O-N 3.42Å; F86-I89 PolarHBondContact O-N 2.86Å; K87-I89 PolarHBondContact O-N 2.9Å; I89-G91 PolarHBondContact O-N 2.64Å
90D61.7Low78.7Confident166 Ų16648.2 Ų48.289%0.88825%0.25SS*.  trans-67.193.8165.4-72.3-28.2000109.6
91G64.6Low78.9Confident19 Ų1945.7 Ų45.720%0.19623%0.229CC..  trans-17797.7179.600000111.5I89 Q93I89-G91 PolarHBondContact O-N 2.64Å; G91-Q93 PolarHBondContact O-N 3.42Å
92E67.8Low79.1Confident129 Ų12947 Ų4760%0.60324%0.236SC*.SBendtrans-66.5-26.7173.9-70.4-166.8-174.800111.9R126E92-R126 CarbonylContact O-C 3.45Å; E92-R126 VanDerWaalsContact O-CB 3.27Å; E92-R126 WeakPolarHBondContact O-CB 3.46Å; E92-R126 IonicContact OE2-CZ 3.88Å; E92-R126 IonicContact OE2-NH1 2.8Å; E92-R126 PolarHBondContact OE2-NH1 3.17Å
93Q79Confident79.2Confident94 Ų9448.5 Ų48.544%0.43925%0.246SC..SBendtrans-122.171.2-176.8-66.4-176.4-4.700110.9W34 P36 G91W34-Q93 PolarHBondContact O-OE1 3.27Å; P36-Q93 WeakPolarHBondContact CD-O 3.38Å; P36-Q93 WeakPolarHBondContact CG-O 3.37Å; G91-Q93 PolarHBondContact O-N 3.42Å
94S85.5Confident79.5Confident0 Ų045.2 Ų45.20%023%0.231CC..EExtended strand (participates in β ladder)trans-103.9142.6172.2-56.20000110.3Q37 R127 A128Q37-S94 WeakPolarHBondContact O-CA 3.33Å; Q37-S94 PolarHBondContact OE1-OG 3.08Å; S94-R127 WeakPolarHBondContact O-CA 3.49Å; S94-R127 WeakPolarHBondContact O-CB 3.15Å; S94-A128 PolarHBondContact O-N 3.11Å
95V88.1Confident79.7Confident0 Ų042 Ų420%021%0.214CC..EExtended strand (participates in β ladder)trans-87.9124.5165.9179.50000107.5L3 L27 A30 W34 A35 Q37 V38 I39 V97 A128 V130L3-V95 HydrophobicContact CD1-CG1 4.25Å; L27-V95 HydrophobicContact CD2-CB 4.3Å; L27-V95 HydrophobicContact CD2-CG1 3.53Å; A30-V95 HydrophobicContact CB-CG2 4.28Å; W34-V95 HydrophobicContact CH2-CG2 3.5Å; W34-V95 HydrophobicContact CZ2-CG2 4.14Å; W34-V95 HydrophobicContact CZ3-CG2 4.03Å; A35-V95 HydrophobicContact CB-CG2 3.55Å; Q37-V95 PolarHBondContact O-N 3.48Å; V38-V95 CarbonylContact C-O 3.49Å; V38-V95 WeakPolarHBondContact CA-O 3.34Å; V38-V95 HydrophobicContact CG2-CB 4.47Å; I39-V95 PolarHBondContact N-O 3.37Å; V95-V97 HydrophobicContact CG1-CG2 4.43Å; V95-A128 CarbonylContact C-O 3.6Å; V95-A128 WeakPolarHBondContact CA-O 3.45Å; V95-A128 HydrophobicContact CG2-CB 4.3Å; V95-V130 HydrophobicContact CG1-CG2 3.79Å
96V88.8Confident79.8Confident0 Ų047.2 Ų47.20%024%0.242CC..EExtended strand (participates in β ladder)trans-109.3117.1177.9-174.10000108.7I39 F41 F86 R127 A128 W129 V130I39-V96 HydrophobicContact CB-CG2 4.48Å; I39-V96 HydrophobicContact CD1-CG2 4.23Å; I39-V96 CarbonylContact O-C 3.55Å; I39-V96 WeakPolarHBondContact O-CA 3.22Å; F41-V96 HydrophobicContact CD2-CG1 3.46Å; F41-V96 VanDerWaalsContact CD2-CG1 3.46Å; F41-V96 HydrophobicContact CE2-CG1 3.42Å; F41-V96 VanDerWaalsContact CE2-CG1 3.42Å; F86-V96 HydrophobicContact CE1-CG1 4.43Å; F86-V96 HydrophobicContact CE1-CG2 3.84Å; F86-V96 HydrophobicContact CZ-CG1 4.18Å; F86-V96 HydrophobicContact CZ-CG2 4.18Å; V96-R127 HydrophobicContact CG2-CB 4.45Å; V96-A128 PolarHBondContact N-O 2.85Å; V96-W129 HydrophobicContact CB-CD2 4.03Å; V96-W129 HydrophobicContact CB-CE3 3.65Å; V96-W129 HydrophobicContact CB-CH2 4.43Å; V96-W129 HydrophobicContact CB-CZ3 3.88Å; V96-W129 HydrophobicContact CG1-CD2 4.32Å; V96-W129 HydrophobicContact CG1-CE3 3.5Å; V96-W129 VanDerWaalsContact CG1-CE3 3.5Å; V96-W129 HydrophobicContact CG1-CH2 3.92Å; V96-W129 HydrophobicContact CG1-CZ3 3.26Å; V96-W129 CarbonylContact O-C 3.58Å; V96-W129 WeakPolarHBondContact O-CA 3.18Å; V96-V130 PolarHBondContact O-N 3.46Å
97V89.3Confident80Confident0 Ų049.4 Ų49.40%026%0.258CS..EExtended strand (participates in β ladder)trans-97.8123.3174.8-175.40000108.3L23 L27 V38 I39 I40 F41 V95 V130L23-V97 HydrophobicContact CD1-CG2 4.45Å; L23-V97 HydrophobicContact CD2-CG1 3.91Å; L27-V97 HydrophobicContact CD1-CG2 4.03Å; L27-V97 HydrophobicContact CD2-CG2 3.97Å; V38-V97 HydrophobicContact CG1-CG2 4.2Å; I39-V97 PolarHBondContact O-N 3.08Å; I40-V97 HydrophobicContact CG1-CB 4.38Å; I40-V97 HydrophobicContact CG1-CG2 4.47Å; I40-V97 HydrophobicContact CG2-CB 4.4Å; F41-V97 PolarHBondContact N-O 2.8Å; V95-V97 HydrophobicContact CG1-CG2 4.43Å; V97-V130 CarbonylContact C-O 3.59Å; V97-V130 WeakPolarHBondContact CA-O 3.38Å; V97-V130 HydrophobicContact CG2-CB 4.36Å
98L87.1Confident80.2Confident2 Ų243.8 Ų43.81%0.0123%0.233CC..EExtended strand (participates in β ladder)trans-101113.4169.6-69.3174.2000108.2F41 L117 F121 W129 V130 L131F41-L98 HydrophobicContact CB-CD2 3.92Å; F41-L98 HydrophobicContact CD2-CD2 4.08Å; F41-L98 HydrophobicContact CG-CD2 4.22Å; L98-L117 HydrophobicContact CD1-CD2 4.03Å; L98-F121 HydrophobicContact CD1-CE1 4.26Å; L98-F121 HydrophobicContact CD1-CZ 4.28Å; L98-W129 HydrophobicContact CD1-CE3 3.69Å; L98-W129 HydrophobicContact CD1-CZ3 3.7Å; L98-W129 HydrophobicContact CD2-CE3 4.48Å; L98-W129 HydrophobicContact CD2-CZ3 3.88Å; L98-W129 HydrophobicContact CG-CE3 3.85Å; L98-W129 HydrophobicContact CG-CZ3 3.76Å; L98-V130 PolarHBondContact N-O 3.42Å; L98-L131 HydrophobicContact CB-CD1 3.76Å; L98-L131 WeakPolarHBondContact O-CD1 3.4Å
99D83.6Confident80.6Confident12 Ų1241 Ų416%0.06422%0.222CC..EExtended strand (participates in β ladder)trans-122.259.8176.4-179.749.8000109.1W20 F41 S42 R44W20-D99 HydrophobicContact CH2-CB 4.15Å; W20-D99 WeakPolarHBondContact CH2-OD2 3.49Å; W20-D99 WeakPolarHBondContact CZ2-OD1 3.29Å; W20-D99 WeakPolarHBondContact CZ2-OD2 3.28Å; F41-D99 PolarHBondContact O-N 2.85Å; S42-D99 WeakPolarHBondContact CA-O 3.31Å; S42-D99 PolarHBondContact OG-O 3.46Å; S42-D99 PolarHBondContact OG-OD2 3.48Å; S42-D99 VanDerWaalsContact OG-OD2 3.09Å; R44-D99 IonicContact CZ-OD2 3.67Å; R44-D99 IonicContact NE-OD2 3.68Å; R44-D99 IonicContact NH2-OD1 3.16Å; R44-D99 PolarHBondContact NH2-OD1 3.37Å; R44-D99 IonicContact NH2-OD2 2.79Å; R44-D99 PolarHBondContact NH2-OD2 2.71Å
100C73.1Confident81.3Confident0 Ų045.4 Ų45.40%024%0.242CC..  trans-157.921.4-170.662.60000113.1D43 L64 E102 S103 L104D43-C100 HydrophobicContact CB-CB 4.32Å; L64-C100 HydrophobicContact CD1-CB 3.18Å; L64-C100 WeakPolarHBondContact CD1-SG 3.39Å; C100-E102 PolarHBondContact O-N 3.06Å; C100-S103 PolarHBondContact O-N 3.02Å; C100-L104 PolarHBondContact O-N 2.86Å
101L83Confident82.6Confident1 Ų142.3 Ų42.31%0.00523%0.229CC..Hα-helixtrans-61.9-36.8-169.9-172.556.7000110.8L104 L105 L117 L131 L138 F142 L146L101-L104 PolarHBondContact O-N 3.38Å; L101-L105 HydrophobicContact CD1-CD1 4.47Å; L101-L105 HydrophobicContact CD1-CG 4.47Å; L101-L105 HydrophobicContact CG-CD1 3.99Å; L101-L105 HydrophobicContact CG-CG 4.43Å; L101-L105 VanDerWaalsContact O-CB 3.31Å; L101-L105 WeakPolarHBondContact O-CB 3.47Å; L101-L105 WeakPolarHBondContact O-CG 3.48Å; L101-L105 PolarHBondContact O-N 3.36Å; L101-L117 HydrophobicContact CD1-CD1 4.17Å; L101-L131 HydrophobicContact CB-CD1 4.1Å; L101-L131 HydrophobicContact CD1-CD1 4.24Å; L101-L131 HydrophobicContact CD1-CD2 4.11Å; L101-L131 HydrophobicContact CD2-CD1 4.3Å; L101-L131 HydrophobicContact CD2-CD2 3.92Å; L101-L131 HydrophobicContact CD2-CG 4.24Å; L101-L131 HydrophobicContact CG-CD1 4.45Å; L101-L138 HydrophobicContact CD2-CD1 3.51Å; L101-L138 HydrophobicContact CD2-CD2 3.76Å; L101-L138 HydrophobicContact CD2-CG 4.24Å; L101-L138 HydrophobicContact CG-CD2 4.25Å; L101-F142 HydrophobicContact CD1-CE1 4.06Å; L101-F142 HydrophobicContact CD1-CZ 3.99Å; L101-F142 HydrophobicContact CD2-CE1 4.11Å; L101-F142 HydrophobicContact CG-CE1 4.35Å; L101-L146 HydrophobicContact CD2-CD1 4.35Å
102E82.8Confident83.6Confident74 Ų7442.7 Ų42.735%0.34623%0.228SC..Hα-helixtrans-62-49.7177.8-58.173-157.600110.3C100 L104 L105 M106C100-E102 PolarHBondContact O-N 3.06Å; E102-L104 PolarHBondContact O-N 3.33Å; E102-L105 PolarHBondContact O-N 3.02Å; E102-M106 WeakPolarHBondContact O-CB 3.25Å; E102-M106 WeakPolarHBondContact O-CG 3.16Å; E102-M106 PolarHBondContact O-N 2.73Å
103S82.3Confident84.6Confident32 Ų3236.6 Ų36.622%0.22420%0.199CC..Hα-helixtrans-61.9-41.7176.9-740000112.3D43 C100 M106 C107D43-S103 WeakPolarHBondContact CB-OG 3.5Å; D43-S103 WeakPolarHBondContact OD2-CB 3.46Å; D43-S103 PolarHBondContact OD2-OG 3.41Å; C100-S103 PolarHBondContact O-N 3.02Å; S103-M106 PolarHBondContact O-N 3.35Å; S103-C107 PolarHBondContact O-N 3.4Å; S103-C107 PolarHBondContact O-SG 2.78Å; S103-C107 VanDerWaalsContact O-SG 3.41Å
104L82.6Confident85.1Confident2 Ų233.7 Ų33.71%0.0119%0.187CC..Hα-helixtrans-60.9-48.4174.8-74.8171.4000111.3F69 F78 C100 L101 E102 M106 C107 Y108 C113F69-L104 HydrophobicContact CE1-CD2 4.17Å; F69-L104 HydrophobicContact CZ-CD2 3.79Å; F69-L104 HydrophobicContact CZ-CG 4.14Å; F78-L104 HydrophobicContact CE1-CD2 4.18Å; F78-L104 HydrophobicContact CE2-CD2 4.09Å; F78-L104 HydrophobicContact CZ-CD2 3.75Å; C100-L104 PolarHBondContact O-N 2.86Å; L101-L104 PolarHBondContact O-N 3.38Å; E102-L104 PolarHBondContact O-N 3.33Å; L104-M106 VanDerWaalsContact C-N 3.31Å; L104-M106 PolarHBondContact O-N 3.49Å; L104-C107 PolarHBondContact O-N 2.81Å; L104-Y108 HydrophobicContact CD2-CD2 4.36Å; L104-Y108 HydrophobicContact CD2-CE2 4.32Å; L104-Y108 PolarHBondContact O-N 3.1Å; L104-C113 PolarHBondContact O-SG 2.93Å
105L85.6Confident85.2Confident33 Ų3339.3 Ų39.317%0.17321%0.213CC..Hα-helixtrans-61.2-39.9178.8-75.8171.6000112.1L101 E102 G109 Q110 C113 L138 F142L101-L105 HydrophobicContact CD1-CD1 4.47Å; L101-L105 HydrophobicContact CD1-CG 4.47Å; L101-L105 HydrophobicContact CG-CD1 3.99Å; L101-L105 HydrophobicContact CG-CG 4.43Å; L101-L105 VanDerWaalsContact O-CB 3.31Å; L101-L105 WeakPolarHBondContact O-CB 3.47Å; L101-L105 WeakPolarHBondContact O-CG 3.48Å; L101-L105 PolarHBondContact O-N 3.36Å; E102-L105 PolarHBondContact O-N 3.02Å; L105-G109 VanDerWaalsContact O-CA 3.25Å; L105-G109 WeakPolarHBondContact O-CA 3.48Å; L105-G109 PolarHBondContact O-N 2.8Å; L105-Q110 HydrophobicContact CD2-CB 4.38Å; L105-Q110 HydrophobicContact CD2-CG 3.91Å; L105-C113 HydrophobicContact CD2-CB 3.99Å; L105-L138 HydrophobicContact CD1-CD2 3.47Å; L105-L138 VanDerWaalsContact CD1-CD2 3.47Å; L105-F142 HydrophobicContact CD1-CE1 4.28Å; L105-F142 HydrophobicContact CD1-CZ 4.41Å; L105-F142 HydrophobicContact CD2-CD2 4.33Å; L105-F142 HydrophobicContact CD2-CE1 4.32Å; L105-F142 HydrophobicContact CD2-CE2 3.7Å; L105-F142 HydrophobicContact CD2-CZ 3.72Å; L105-F142 HydrophobicContact CG-CZ 4.36Å
106M83.8Confident85Confident166 Ų16639.7 Ų39.782%0.81822%0.215SC*.Hα-helixtrans-67.1-37.6177.4-73.8-62.8-63.100112.7E102 S103 L104E102-M106 WeakPolarHBondContact O-CB 3.25Å; E102-M106 WeakPolarHBondContact O-CG 3.16Å; E102-M106 PolarHBondContact O-N 2.73Å; S103-M106 PolarHBondContact O-N 3.35Å; L104-M106 VanDerWaalsContact C-N 3.31Å; L104-M106 PolarHBondContact O-N 3.49Å
107C81.3Confident85Confident58 Ų5839.7 Ų39.739%0.39222%0.215SC..Hα-helixtrans-80.1-38.2-177.7-72.60000113.8F69 L72 S103 L104F69-C107 HydrophobicContact CD1-CB 4.33Å; F69-C107 HydrophobicContact CE1-CB 4.01Å; L72-C107 HydrophobicContact CD2-CB 4.17Å; S103-C107 PolarHBondContact O-N 3.4Å; S103-C107 PolarHBondContact O-SG 2.78Å; S103-C107 VanDerWaalsContact O-SG 3.41Å; L104-C107 PolarHBondContact O-N 2.81Å
108Y83.2Confident84.9Confident36 Ų3643.9 Ų43.914%0.14123%0.234CC..Hα-helixtrans-117.8-17.1-168.7-63.3-73.4000114F69 L72 E75 L104 V112F69-Y108 HydrophobicContact CE1-CE2 4.09Å; L72-Y108 HydrophobicContact CD2-CE1 4.41Å; L72-Y108 HydrophobicContact CD2-CE2 4.48Å; E75-Y108 HydrophobicContact CB-CE1 4.41Å; E75-Y108 HydrophobicContact CG-CD1 3.73Å; E75-Y108 HydrophobicContact CG-CE1 3.85Å; L104-Y108 HydrophobicContact CD2-CD2 4.36Å; L104-Y108 HydrophobicContact CD2-CE2 4.32Å; L104-Y108 PolarHBondContact O-N 3.1Å; Y108-V112 HydrophobicContact CD1-CG1 4.19Å; Y108-V112 HydrophobicContact CG-CG1 4.24Å; Y108-V112 WeakPolarHBondContact O-CB 3.48Å; Y108-V112 WeakPolarHBondContact O-CG2 3.45Å
109G85.9Confident84.8Confident31 Ų3149.3 Ų49.332%0.3225%0.254SS..  trans77164.9-17300000113.4L105 V111 C113L105-G109 VanDerWaalsContact O-CA 3.25Å; L105-G109 WeakPolarHBondContact O-CA 3.48Å; L105-G109 PolarHBondContact O-N 2.8Å; G109-V111 PolarHBondContact O-N 2.93Å; G109-C113 WeakPolarHBondContact O-CB 3.48Å; G109-C113 PolarHBondContact O-N 2.78Å; G109-C113 PolarHBondContact O-SG 3.27Å
110Q88.7Confident84.7Confident98 Ų9849.4 Ų49.446%0.45826%0.255SS..Hα-helixtrans-59.4-47.4-169.2-68.3-178.5-5.500114.1L105 C113 I114 S139 F142L105-Q110 HydrophobicContact CD2-CB 4.38Å; L105-Q110 HydrophobicContact CD2-CG 3.91Å; Q110-C113 PolarHBondContact O-N 2.83Å; Q110-I114 WeakPolarHBondContact O-CG1 3.39Å; Q110-I114 PolarHBondContact O-N 2.94Å; Q110-S139 PolarHBondContact NE2-OG 2.83Å; Q110-F142 HydrophobicContact CB-CD2 4.1Å; Q110-F142 HydrophobicContact CB-CE2 4.49Å; Q110-F142 HydrophobicContact CG-CD2 4.28Å
111V88.4Confident85.1Confident102 Ų10250.4 Ų50.462%0.61826%0.259SS*.Hα-helixtrans-63.8-48-174.5178.60000111G109 C113 I114 Q115G109-V111 PolarHBondContact O-N 2.93Å; V111-C113 VanDerWaalsContact C-N 3.34Å; V111-I114 PolarHBondContact O-N 3.05Å; V111-Q115 WeakPolarHBondContact O-CG 3.47Å; V111-Q115 PolarHBondContact O-N 3.36Å; V111-Q115 VanDerWaalsContact O-N 3.08Å
112V86.8Confident84.9Confident26 Ų2654.3 Ų54.316%0.15828%0.283CS..Hα-helixtrans-65.3-40.8178.8178.60000110.4E75 Y108 I114 Q115 L116E75-V112 HydrophobicContact CG-CG1 3.73Å; E75-V112 WeakPolarHBondContact OE1-CG1 3.27Å; E75-V112 WeakPolarHBondContact OE1-CG2 2.95Å; Y108-V112 HydrophobicContact CD1-CG1 4.19Å; Y108-V112 HydrophobicContact CG-CG1 4.24Å; Y108-V112 WeakPolarHBondContact O-CB 3.48Å; Y108-V112 WeakPolarHBondContact O-CG2 3.45Å; V112-I114 VanDerWaalsContact C-N 3.34Å; V112-I114 PolarHBondContact O-N 2.88Å; V112-Q115 PolarHBondContact O-N 3.16Å; V112-L116 VanDerWaalsContact O-CB 3.25Å; V112-L116 WeakPolarHBondContact O-CB 3.38Å; V112-L116 PolarHBondContact O-N 3.45Å
113C87.2Confident84.1Confident1 Ų154.6 Ų54.61%0.00729%0.287CS..Hα-helixtrans-58.7-43.7174.3-72.40000112.4L104 L105 G109 Q110 V111 Q115 L116 L117 F142L104-C113 PolarHBondContact O-SG 2.93Å; L105-C113 HydrophobicContact CD2-CB 3.99Å; G109-C113 WeakPolarHBondContact O-CB 3.48Å; G109-C113 PolarHBondContact O-N 2.78Å; G109-C113 PolarHBondContact O-SG 3.27Å; Q110-C113 PolarHBondContact O-N 2.83Å; V111-C113 VanDerWaalsContact C-N 3.34Å; C113-Q115 VanDerWaalsContact C-N 3.35Å; C113-Q115 PolarHBondContact O-N 2.85Å; C113-L116 PolarHBondContact O-N 3.33Å; C113-L117 VanDerWaalsContact O-CB 3.32Å; C113-L117 WeakPolarHBondContact O-CB 3.43Å; C113-L117 WeakPolarHBondContact O-CG 3.33Å; C113-L117 PolarHBondContact O-N 3.37Å; C113-F142 HydrophobicContact CB-CE2 4.23Å; C113-F142 HydrophobicContact CB-CZ 4.45Å
114I89.1Confident83.2Confident34 Ų3456.8 Ų56.817%0.17432%0.315CS..Hα-helixtrans-60.9-45.8176.4-68.2167.1000110.5Q110 V111 V112 L116 L117 H118 F142 H145Q110-I114 WeakPolarHBondContact O-CG1 3.39Å; Q110-I114 PolarHBondContact O-N 2.94Å; V111-I114 PolarHBondContact O-N 3.05Å; V112-I114 VanDerWaalsContact C-N 3.34Å; V112-I114 PolarHBondContact O-N 2.88Å; I114-L116 VanDerWaalsContact C-N 3.33Å; I114-L116 PolarHBondContact O-N 2.73Å; I114-L117 PolarHBondContact O-N 2.95Å; I114-H118 VanDerWaalsContact O-CB 3.22Å; I114-H118 WeakPolarHBondContact O-CB 3.46Å; I114-H118 PolarHBondContact O-N 2.96Å; I114-F142 HydrophobicContact CD1-CD2 3.72Å; I114-F142 HydrophobicContact CD1-CE2 4.11Å; I114-F142 HydrophobicContact CG1-CD2 3.67Å; I114-F142 HydrophobicContact CG1-CE2 3.51Å; I114-H145 HydrophobicContact CD1-CB 3.88Å; I114-H145 HydrophobicContact CG1-CB 4.34Å; I114-H145 HydrophobicContact CG2-CB 4.47Å
115Q89Confident82.3Confident118 Ų11858.5 Ų58.555%0.55133%0.326SS*.Hα-helixtrans-62.3-42.8179.6-70.2175.5-6.900111.9V111 V112 C113 H118 R119V111-Q115 WeakPolarHBondContact O-CG 3.47Å; V111-Q115 PolarHBondContact O-N 3.36Å; V111-Q115 VanDerWaalsContact O-N 3.08Å; V112-Q115 PolarHBondContact O-N 3.16Å; C113-Q115 VanDerWaalsContact C-N 3.35Å; C113-Q115 PolarHBondContact O-N 2.85Å; Q115-H118 PolarHBondContact O-N 2.73Å; Q115-R119 WeakPolarHBondContact O-CB 3.17Å; Q115-R119 PolarHBondContact O-N 2.81Å
116L84.4Confident81.7Confident7 Ų763.6 Ų63.64%0.03734%0.344CS..Hα-helixtrans-65.1-46.6178.1-176.8140.1000111.6F78 I79 V112 C113 I114 R119 L120F78-L116 HydrophobicContact CD1-CD1 3.67Å; F78-L116 HydrophobicContact CD1-CD2 4.12Å; F78-L116 HydrophobicContact CD1-CG 4.3Å; F78-L116 HydrophobicContact CE1-CD1 4.23Å; F78-L116 HydrophobicContact CE1-CD2 3.82Å; F78-L116 HydrophobicContact CE1-CG 4.49Å; F78-L116 HydrophobicContact CG-CD1 4.41Å; I79-L116 HydrophobicContact CD1-CD1 4.13Å; I79-L116 HydrophobicContact CD1-CG 4.01Å; I79-L116 HydrophobicContact CG1-CD1 3.88Å; I79-L116 HydrophobicContact CG1-CG 4.01Å; V112-L116 VanDerWaalsContact O-CB 3.25Å; V112-L116 WeakPolarHBondContact O-CB 3.38Å; V112-L116 PolarHBondContact O-N 3.45Å; C113-L116 PolarHBondContact O-N 3.33Å; I114-L116 VanDerWaalsContact C-N 3.33Å; I114-L116 PolarHBondContact O-N 2.73Å; L116-R119 PolarHBondContact O-N 3.41Å; L116-L120 HydrophobicContact CD2-CD1 3.73Å; L116-L120 HydrophobicContact CG-CD1 4.48Å; L116-L120 VanDerWaalsContact O-CG 3.29Å; L116-L120 WeakPolarHBondContact O-CG 3.13Å; L116-L120 PolarHBondContact O-N 2.85Å
117L87.8Confident81.7Confident0 Ų057.5 Ų57.50%031%0.311CS..Hα-helixtrans-64.8-42.8176.1-69174.5000111.6L98 L101 C113 I114 R119 L120 F121 F142 L146L98-L117 HydrophobicContact CD1-CD2 4.03Å; L101-L117 HydrophobicContact CD1-CD1 4.17Å; C113-L117 VanDerWaalsContact O-CB 3.32Å; C113-L117 WeakPolarHBondContact O-CB 3.43Å; C113-L117 WeakPolarHBondContact O-CG 3.33Å; C113-L117 PolarHBondContact O-N 3.37Å; I114-L117 PolarHBondContact O-N 2.95Å; L117-R119 VanDerWaalsContact C-N 3.31Å; L117-R119 PolarHBondContact O-N 2.8Å; L117-L120 PolarHBondContact O-N 3.27Å; L117-F121 HydrophobicContact CB-CD2 4.22Å; L117-F121 HydrophobicContact CB-CE2 3.76Å; L117-F121 HydrophobicContact CB-CZ 4.22Å; L117-F121 HydrophobicContact CD2-CE1 4.42Å; L117-F121 HydrophobicContact CD2-CE2 4.09Å; L117-F121 HydrophobicContact CD2-CZ 3.69Å; L117-F121 HydrophobicContact CG-CE2 4.38Å; L117-F121 HydrophobicContact CG-CZ 4.47Å; L117-F121 WeakPolarHBondContact O-CB 3.44Å; L117-F121 WeakPolarHBondContact O-CD2 3.38Å; L117-F121 WeakPolarHBondContact O-CG 3.39Å; L117-F121 PolarHBondContact O-N 2.88Å; L117-F142 HydrophobicContact CD1-CZ 4.42Å; L117-L146 HydrophobicContact CD1-CD2 3.73Å
118H87.7Confident81.9Confident89 Ų8954.7 Ų54.741%0.41229%0.293SS..Hα-helixtrans-57.1-46.6174.6176.8-76.5000110.8I114 Q115 F121 T122 L149I114-H118 VanDerWaalsContact O-CB 3.22Å; I114-H118 WeakPolarHBondContact O-CB 3.46Å; I114-H118 PolarHBondContact O-N 2.96Å; Q115-H118 PolarHBondContact O-N 2.73Å; H118-F121 PolarHBondContact O-N 2.87Å; H118-T122 PolarHBondContact CE1-OG1 3.17Å; H118-T122 WeakPolarHBondContact O-CB 3.44Å; H118-T122 PolarHBondContact O-N 3.15Å; H118-T122 PolarHBondContact O-OG1 3.42Å; H118-L149 HydrophobicContact CB-CD1 4.29Å; H118-L149 HydrophobicContact CB-CD2 4.31Å; H118-L149 VanDerWaalsContact CD2-CD2 3.49Å; H118-L149 WeakPolarHBondContact CD2-CD2 3.25Å
119R84.2Confident82.1Confident115 Ų11553.1 Ų53.143%0.43429%0.286SS..Hα-helixtrans-61.8-46.3177.6-174167.2166.4-171.2-7.4111.7I79 E83 Q115 L116 L117 F121 D123I79-R119 HydrophobicContact CD1-CG 4.47Å; E83-R119 IonicContact OE1-NH2 2.66Å; E83-R119 PolarHBondContact OE1-NH2 3.05Å; Q115-R119 WeakPolarHBondContact O-CB 3.17Å; Q115-R119 PolarHBondContact O-N 2.81Å; L116-R119 PolarHBondContact O-N 3.41Å; L117-R119 VanDerWaalsContact C-N 3.31Å; L117-R119 PolarHBondContact O-N 2.8Å; R119-F121 VanDerWaalsContact C-N 3.29Å; R119-F121 PolarHBondContact O-N 2.84Å; R119-D123 WeakPolarHBondContact CG-OD2 3.38Å; R119-D123 IonicContact NE-OD2 3.49Å; R119-D123 WeakPolarHBondContact O-CB 3.03Å; R119-D123 PolarHBondContact O-N 3.46Å; R119-D123 VanDerWaalsContact O-N 3.1Å
120L81.9Confident82.3Confident14 Ų1451.6 Ų51.67%0.07327%0.271CS..Hα-helixtrans-61.5-34.4177.6-70.5173.2000113.7L82 L116 L117 W129L82-L120 HydrophobicContact CD1-CD1 4.04Å; L82-L120 HydrophobicContact CD1-CD2 3.98Å; L116-L120 HydrophobicContact CD2-CD1 3.73Å; L116-L120 HydrophobicContact CG-CD1 4.48Å; L116-L120 VanDerWaalsContact O-CG 3.29Å; L116-L120 WeakPolarHBondContact O-CG 3.13Å; L116-L120 PolarHBondContact O-N 2.85Å; L117-L120 PolarHBondContact O-N 3.27Å; L120-W129 HydrophobicContact CB-CZ2 4.31Å; L120-W129 HydrophobicContact CD1-CH2 4.49Å; L120-W129 HydrophobicContact CD2-CH2 4.35Å; L120-W129 HydrophobicContact CD2-CZ2 4.41Å; L120-W129 PolarHBondContact O-NE1 2.79Å
121F82Confident82.3Confident21 Ų2147 Ų479%0.09225%0.249CC..Hα-helixtrans-91.2-28.2-174.8-58.2-22.9000113.7F8 L98 L117 H118 R119 W129F8-F121 HydrophobicContact CB-CB 4.13Å; F8-F121 HydrophobicContact CB-CD1 4.31Å; F8-F121 HydrophobicContact CB-CD2 3.68Å; F8-F121 HydrophobicContact CB-CE2 4.12Å; F8-F121 HydrophobicContact CB-CG 3.78Å; F8-F121 AromaticContact CD1-CD2 3.71Å; F8-F121 HydrophobicContact CD1-CD2 3.71Å; F8-F121 AromaticContact CD1-CE2 3.61Å; F8-F121 HydrophobicContact CD1-CE2 3.61Å; F8-F121 HydrophobicContact CD1-CZ 4.47Å; F8-F121 HydrophobicContact CD2-CD1 4.35Å; F8-F121 AromaticContact CD2-CD2 3.86Å; F8-F121 HydrophobicContact CD2-CD2 3.86Å; F8-F121 AromaticContact CD2-CE1 3.93Å; F8-F121 HydrophobicContact CD2-CE1 3.93Å; F8-F121 AromaticContact CD2-CE2 3.36Å; F8-F121 HydrophobicContact CD2-CE2 3.36Å; F8-F121 HydrophobicContact CD2-CG 4.32Å; F8-F121 AromaticContact CD2-CZ 3.4Å; F8-F121 HydrophobicContact CD2-CZ 3.4Å; F8-F121 HydrophobicContact CE1-CD2 4.34Å; F8-F121 AromaticContact CE1-CE2 3.82Å; F8-F121 HydrophobicContact CE1-CE2 3.82Å; F8-F121 HydrophobicContact CE2-CD2 4.46Å; F8-F121 HydrophobicContact CE2-CE1 4.44Å; F8-F121 AromaticContact CE2-CE2 3.58Å; F8-F121 HydrophobicContact CE2-CE2 3.58Å; F8-F121 AromaticContact CE2-CZ 3.56Å; F8-F121 HydrophobicContact CE2-CZ 3.56Å; F8-F121 HydrophobicContact CG-CD1 4.47Å; F8-F121 AromaticContact CG-CD2 3.47Å; F8-F121 HydrophobicContact CG-CD2 3.47Å; F8-F121 VanDerWaalsContact CG-CD2 3.47Å; F8-F121 HydrophobicContact CG-CE1 4.44Å; F8-F121 AromaticContact CG-CE2 3.41Å; F8-F121 HydrophobicContact CG-CE2 3.41Å; F8-F121 VanDerWaalsContact CG-CE2 3.41Å; F8-F121 HydrophobicContact CG-CG 4.02Å; F8-F121 AromaticContact CG-CZ 3.93Å; F8-F121 HydrophobicContact CG-CZ 3.93Å; F8-F121 AromaticContact CZ-CE2 3.81Å; F8-F121 HydrophobicContact CZ-CE2 3.81Å; F8-F121 HydrophobicContact CZ-CZ 4.18Å; L98-F121 HydrophobicContact CD1-CE1 4.26Å; L98-F121 HydrophobicContact CD1-CZ 4.28Å; L117-F121 HydrophobicContact CB-CD2 4.22Å; L117-F121 HydrophobicContact CB-CE2 3.76Å; L117-F121 HydrophobicContact CB-CZ 4.22Å; L117-F121 HydrophobicContact CD2-CE1 4.42Å; L117-F121 HydrophobicContact CD2-CE2 4.09Å; L117-F121 HydrophobicContact CD2-CZ 3.69Å; L117-F121 HydrophobicContact CG-CE2 4.38Å; L117-F121 HydrophobicContact CG-CZ 4.47Å; L117-F121 WeakPolarHBondContact O-CB 3.44Å; L117-F121 WeakPolarHBondContact O-CD2 3.38Å; L117-F121 WeakPolarHBondContact O-CG 3.39Å; L117-F121 PolarHBondContact O-N 2.88Å; H118-F121 PolarHBondContact O-N 2.87Å; R119-F121 VanDerWaalsContact C-N 3.29Å; R119-F121 PolarHBondContact O-N 2.84Å; F121-W129 HydrophobicContact CD1-CB 3.74Å; F121-W129 AromaticContact CD1-CD1 3.67Å; F121-W129 AromaticContact CD1-CD2 3.89Å; F121-W129 HydrophobicContact CD1-CD2 3.89Å; F121-W129 AromaticContact CD1-CG 3.49Å; F121-W129 HydrophobicContact CD1-CG 3.49Å; F121-W129 VanDerWaalsContact CD1-CG 3.49Å; F121-W129 HydrophobicContact CE1-CB 3.49Å; F121-W129 VanDerWaalsContact CE1-CB 3.49Å; F121-W129 AromaticContact CE1-CD2 3.66Å; F121-W129 HydrophobicContact CE1-CD2 3.66Å; F121-W129 AromaticContact CE1-CE3 3.9Å; F121-W129 HydrophobicContact CE1-CE3 3.9Å; F121-W129 AromaticContact CE1-CG 3.5Å; F121-W129 HydrophobicContact CE1-CG 3.5Å; F121-W129 VanDerWaalsContact CE1-CG 3.5Å; F121-W129 HydrophobicContact CZ-CB 4.34Å
122T77.6Confident82.2Confident84 Ų8442.7 Ų42.752%0.51522%0.223SC..Hα-helixtrans-89.2-27.3-178.9-58.20000112.2H118 G124H118-T122 PolarHBondContact CE1-OG1 3.17Å; H118-T122 WeakPolarHBondContact O-CB 3.44Å; H118-T122 PolarHBondContact O-N 3.15Å; H118-T122 PolarHBondContact O-OG1 3.42Å; T122-G124 VanDerWaalsContact C-N 3.3Å; T122-G124 PolarHBondContact O-N 2.78Å
123D67.4Low82.1Confident79 Ų7941.5 Ų41.542%0.42222%0.215SC..SBendtrans-72.475.7-175.3-77.3-9.9000112.7R119 C125R119-D123 WeakPolarHBondContact CG-OD2 3.38Å; R119-D123 IonicContact NE-OD2 3.49Å; R119-D123 WeakPolarHBondContact O-CB 3.03Å; R119-D123 PolarHBondContact O-N 3.46Å; R119-D123 VanDerWaalsContact O-N 3.1Å; D123-C125 WeakPolarHBondContact O-CA 3.43Å; D123-C125 PolarHBondContact O-N 3.27Å; D123-C125 PolarHBondContact O-SG 2.82Å
124G61.8Low82Confident78 Ų7841.9 Ų41.980%0.80422%0.218SC*.SBendtrans50.310.2160.300000117.5T122 R126T122-G124 VanDerWaalsContact C-N 3.3Å; T122-G124 PolarHBondContact O-N 2.78Å; G124-R126 PolarHBondContact O-N 3.15Å
125C65Low81.7Confident38 Ų3842 Ų4226%0.25722%0.221SC..  trans-78.6114.6-168.2-83.60000107.6D123 R127D123-C125 WeakPolarHBondContact O-CA 3.43Å; D123-C125 PolarHBondContact O-N 3.27Å; D123-C125 PolarHBondContact O-SG 2.82Å; C125-R127 HydrophobicContact CB-CB 4.4Å; C125-R127 PolarHBondContact O-N 3.04Å
126R72.3Confident81.4Confident141 Ų14142.1 Ų42.153%0.53222%0.221SC..  trans-66.518.6168.6-67.1-176.6176.4-175.8-3113.5E92 G124E92-R126 CarbonylContact O-C 3.45Å; E92-R126 VanDerWaalsContact O-CB 3.27Å; E92-R126 WeakPolarHBondContact O-CB 3.46Å; E92-R126 IonicContact OE2-CZ 3.88Å; E92-R126 IonicContact OE2-NH1 2.8Å; E92-R126 PolarHBondContact OE2-NH1 3.17Å; G124-R126 PolarHBondContact O-N 3.15Å
127R83.2Confident81.3Confident37 Ų3747.9 Ų47.914%0.1425%0.248CC..SBendtrans-100.2145.1-176.8-61.3-176-178.5104.7-2.7109.3G7 F86 S94 V96 C125G7-R127 PolarHBondContact N-O 2.68Å; G7-R127 VanDerWaalsContact N-O 3.15Å; F86-R127 PolarHBondContact O-NH2 2.75Å; S94-R127 WeakPolarHBondContact O-CA 3.49Å; S94-R127 WeakPolarHBondContact O-CB 3.15Å; V96-R127 HydrophobicContact CG2-CB 4.45Å; C125-R127 HydrophobicContact CB-CB 4.4Å; C125-R127 PolarHBondContact O-N 3.04Å
128A85.9Confident81.3Confident0 Ų048.3 Ų48.30%025%0.25CS..EExtended strand (participates in β ladder)trans-91.5117.3169.800000108.8A4 G7 W34 S94 V95 V96A4-A128 VanDerWaalsContact O-CB 3.25Å; A4-A128 WeakPolarHBondContact O-CB 3.36Å; G7-A128 WeakPolarHBondContact O-CA 3.42Å; W34-A128 HydrophobicContact CH2-CB 3.54Å; W34-A128 HydrophobicContact CZ2-CB 4.4Å; W34-A128 HydrophobicContact CZ3-CB 4.35Å; S94-A128 PolarHBondContact O-N 3.11Å; V95-A128 CarbonylContact C-O 3.6Å; V95-A128 WeakPolarHBondContact CA-O 3.45Å; V95-A128 HydrophobicContact CG2-CB 4.3Å; V96-A128 PolarHBondContact N-O 2.85Å
129W88.6Confident81.2Confident2 Ų246.1 Ų46.11%0.00825%0.245CC..EExtended strand (participates in β ladder)trans-89139.1173.1-68.993.1000109.5G7 F8 N9 F86 V96 L98 L120 F121G7-W129 PolarHBondContact O-N 2.78Å; F8-W129 HydrophobicContact CD2-CB 4.09Å; N9-W129 WeakPolarHBondContact CA-O 3.4Å; N9-W129 VanDerWaalsContact CB-O 3.31Å; N9-W129 WeakPolarHBondContact CB-O 3.44Å; N9-W129 PolarHBondContact N-O 2.93Å; N9-W129 PolarHBondContact ND2-O 3.16Å; N9-W129 VanDerWaalsContact ND2-O 3.1Å; F86-W129 AromaticContact CE2-CH2 3.55Å; F86-W129 HydrophobicContact CE2-CH2 3.55Å; F86-W129 AromaticContact CE2-CZ2 3.84Å; F86-W129 HydrophobicContact CE2-CZ2 3.84Å; F86-W129 AromaticContact CZ-CH2 3.4Å; F86-W129 HydrophobicContact CZ-CH2 3.4Å; F86-W129 AromaticContact CZ-CZ2 3.86Å; F86-W129 HydrophobicContact CZ-CZ2 3.86Å; F86-W129 HydrophobicContact CZ-CZ3 4.24Å; V96-W129 HydrophobicContact CB-CD2 4.03Å; V96-W129 HydrophobicContact CB-CE3 3.65Å; V96-W129 HydrophobicContact CB-CH2 4.43Å; V96-W129 HydrophobicContact CB-CZ3 3.88Å; V96-W129 HydrophobicContact CG1-CD2 4.32Å; V96-W129 HydrophobicContact CG1-CE3 3.5Å; V96-W129 VanDerWaalsContact CG1-CE3 3.5Å; V96-W129 HydrophobicContact CG1-CH2 3.92Å; V96-W129 HydrophobicContact CG1-CZ3 3.26Å; V96-W129 CarbonylContact O-C 3.58Å; V96-W129 WeakPolarHBondContact O-CA 3.18Å; L98-W129 HydrophobicContact CD1-CE3 3.69Å; L98-W129 HydrophobicContact CD1-CZ3 3.7Å; L98-W129 HydrophobicContact CD2-CE3 4.48Å; L98-W129 HydrophobicContact CD2-CZ3 3.88Å; L98-W129 HydrophobicContact CG-CE3 3.85Å; L98-W129 HydrophobicContact CG-CZ3 3.76Å; L120-W129 HydrophobicContact CB-CZ2 4.31Å; L120-W129 HydrophobicContact CD1-CH2 4.49Å; L120-W129 HydrophobicContact CD2-CH2 4.35Å; L120-W129 HydrophobicContact CD2-CZ2 4.41Å; L120-W129 PolarHBondContact O-NE1 2.79Å; F121-W129 HydrophobicContact CD1-CB 3.74Å; F121-W129 AromaticContact CD1-CD1 3.67Å; F121-W129 AromaticContact CD1-CD2 3.89Å; F121-W129 HydrophobicContact CD1-CD2 3.89Å; F121-W129 AromaticContact CD1-CG 3.49Å; F121-W129 HydrophobicContact CD1-CG 3.49Å; F121-W129 VanDerWaalsContact CD1-CG 3.49Å; F121-W129 HydrophobicContact CE1-CB 3.49Å; F121-W129 VanDerWaalsContact CE1-CB 3.49Å; F121-W129 AromaticContact CE1-CD2 3.66Å; F121-W129 HydrophobicContact CE1-CD2 3.66Å; F121-W129 AromaticContact CE1-CE3 3.9Å; F121-W129 HydrophobicContact CE1-CE3 3.9Å; F121-W129 AromaticContact CE1-CG 3.5Å; F121-W129 HydrophobicContact CE1-CG 3.5Å; F121-W129 VanDerWaalsContact CE1-CG 3.5Å; F121-W129 HydrophobicContact CZ-CB 4.34Å
130V89.4Confident81.4Confident0 Ų046.2 Ų46.20%025%0.254CS..EExtended strand (participates in β ladder)trans-129.6123.7176-171.30000108.4L3 N9 I11 L23 V95 V96 V97 L98L3-V130 HydrophobicContact CD1-CG2 3.89Å; L3-V130 HydrophobicContact CD2-CG2 4.1Å; N9-V130 HydrophobicContact CB-CG2 4.25Å; N9-V130 VanDerWaalsContact O-CA 3.3Å; N9-V130 WeakPolarHBondContact O-CA 3.42Å; I11-V130 HydrophobicContact CD1-CG1 3.68Å; I11-V130 HydrophobicContact CG1-CG1 4.02Å; L23-V130 HydrophobicContact CD1-CB 4.5Å; L23-V130 HydrophobicContact CD1-CG1 3.65Å; V95-V130 HydrophobicContact CG1-CG2 3.79Å; V96-V130 PolarHBondContact O-N 3.46Å; V97-V130 CarbonylContact C-O 3.59Å; V97-V130 WeakPolarHBondContact CA-O 3.38Å; V97-V130 HydrophobicContact CG2-CB 4.36Å; L98-V130 PolarHBondContact N-O 3.42Å
131L89.8Confident81.8Confident0 Ų051.4 Ų51.40%028%0.282CS..EExtended strand (participates in β ladder)trans-121.3134.5174.4-175.971.8000108.4F8 N9 L10 I11 L98 L101 L146F8-L131 HydrophobicContact CE2-CB 3.42Å; F8-L131 VanDerWaalsContact CE2-CB 3.42Å; F8-L131 HydrophobicContact CE2-CD2 4.19Å; F8-L131 HydrophobicContact CE2-CG 4.48Å; F8-L131 HydrophobicContact CZ-CB 3.72Å; F8-L131 HydrophobicContact CZ-CD2 3.76Å; F8-L131 HydrophobicContact CZ-CG 4.42Å; N9-L131 PolarHBondContact O-N 3.1Å; L10-L131 HydrophobicContact CD1-CB 4.44Å; L10-L131 HydrophobicContact CD1-CD2 4.27Å; I11-L131 PolarHBondContact N-O 3.39Å; L98-L131 HydrophobicContact CB-CD1 3.76Å; L98-L131 WeakPolarHBondContact O-CD1 3.4Å; L101-L131 HydrophobicContact CB-CD1 4.1Å; L101-L131 HydrophobicContact CD1-CD1 4.24Å; L101-L131 HydrophobicContact CD1-CD2 4.11Å; L101-L131 HydrophobicContact CD2-CD1 4.3Å; L101-L131 HydrophobicContact CD2-CD2 3.92Å; L101-L131 HydrophobicContact CD2-CG 4.24Å; L101-L131 HydrophobicContact CG-CD1 4.45Å; L131-L146 HydrophobicContact CD2-CD1 3.9Å; L131-L146 HydrophobicContact CD2-CD2 4.16Å
132I85.5Confident82.1Confident13 Ų1350.5 Ų50.57%0.06728%0.278CS..EExtended strand (participates in β ladder)trans-92.4130.3165.6-62.3171.8000107.3I11 Q13 A19 W20 L23I11-I132 HydrophobicContact CB-CG1 4.23Å; I11-I132 CarbonylContact O-C 3.59Å; I11-I132 WeakPolarHBondContact O-CA 3.46Å; Q13-I132 HydrophobicContact CG-CG2 4.48Å; A19-I132 HydrophobicContact CB-CG2 4.15Å; W20-I132 HydrophobicContact CD2-CD1 4.34Å; W20-I132 HydrophobicContact CE3-CD1 4.38Å; W20-I132 HydrophobicContact CH2-CD1 4.44Å; W20-I132 HydrophobicContact CZ2-CD1 4.38Å; W20-I132 HydrophobicContact CZ3-CD1 4.44Å; L23-I132 HydrophobicContact CB-CD1 4.27Å; L23-I132 HydrophobicContact CD2-CD1 3.56Å; L23-I132 HydrophobicContact CD2-CG1 4.33Å; L23-I132 HydrophobicContact CG-CD1 4.46Å
133G85Confident82.6Confident0 Ų046.5 Ų46.50%025%0.253CS..EExtended strand (participates in β ladder)trans-127.5130.7172.200000110.6I11 E12 Q13I11-G133 PolarHBondContact O-N 3.16Å; E12-G133 WeakPolarHBondContact CA-O 3.28Å; Q13-G133 PolarHBondContact N-O 3.01Å
134S84.4Confident83.7Confident9 Ų945.1 Ų45.16%0.06325%0.253CS..EExtended strand (participates in β ladder)trans-75.9132.6166.3-176.80000109.9E136 E137 L138S134-E136 PolarHBondContact O-N 2.95Å; S134-E136 PolarHBondContact OG-N 3.06Å; S134-E137 WeakPolarHBondContact CB-OE2 3.28Å; S134-L138 WeakPolarHBondContact O-CB 3.44Å; S134-L138 WeakPolarHBondContact O-CG 3.3Å; S134-L138 PolarHBondContact O-N 3.34Å
135V83.8Confident85Confident38 Ų3845.7 Ų45.723%0.2324%0.235CC..THydrogen-bonded Turntrans-67.2-22.4176.2178.40000111.5E12 Q13 L143E12-V135 HydrophobicContact CB-CG2 4.02Å; Q13-V135 PolarHBondContact O-N 3.39Å; V135-L143 HydrophobicContact CB-CD1 4.34Å; V135-L143 HydrophobicContact CG1-CD1 4.12Å
136E81.3Confident86.2Confident120 Ų12043.9 Ų43.956%0.56122%0.222SC*.THydrogen-bonded Turntrans-92.3-33.2-176.1-58.5-174.8148.600113.5E15 S134E15-E136 WeakPolarHBondContact CB-OE1 3.38Å; E15-E136 WeakPolarHBondContact CG-OE1 3.34Å; S134-E136 PolarHBondContact O-N 2.95Å; S134-E136 PolarHBondContact OG-N 3.06Å
137E83.5Confident87.1Confident127 Ų12740.4 Ų40.459%0.59321%0.209SC*.THydrogen-bonded Turntrans-81.9-25-177.1-60.8169.9157.300111.4S134S134-E137 WeakPolarHBondContact CB-OE2 3.28Å
138L86.1Confident87.3Confident10 Ų1042.1 Ų42.15%0.05223%0.227CC..SBendtrans-101134.5-178.5-58.9174.4000110.1L101 L105 S134 F142 L143 L146L101-L138 HydrophobicContact CD2-CD1 3.51Å; L101-L138 HydrophobicContact CD2-CD2 3.76Å; L101-L138 HydrophobicContact CD2-CG 4.24Å; L101-L138 HydrophobicContact CG-CD2 4.25Å; L105-L138 HydrophobicContact CD1-CD2 3.47Å; L105-L138 VanDerWaalsContact CD1-CD2 3.47Å; S134-L138 WeakPolarHBondContact O-CB 3.44Å; S134-L138 WeakPolarHBondContact O-CG 3.3Å; S134-L138 PolarHBondContact O-N 3.34Å; L138-F142 HydrophobicContact CB-CD1 4.29Å; L138-F142 HydrophobicContact CD1-CD1 4.32Å; L138-F142 HydrophobicContact CD1-CE1 4.41Å; L138-F142 HydrophobicContact CD2-CD1 3.96Å; L138-F142 HydrophobicContact CD2-CE1 3.99Å; L138-F142 HydrophobicContact CG-CD1 4.42Å; L138-L143 HydrophobicContact CB-CD1 4.1Å; L138-L143 HydrophobicContact CB-CD2 3.91Å; L138-L143 HydrophobicContact CB-CG 3.7Å; L138-L143 HydrophobicContact CD1-CD2 3.62Å; L138-L143 HydrophobicContact CD1-CG 4.34Å; L138-L143 HydrophobicContact CG-CD2 4.42Å; L138-L146 HydrophobicContact CD1-CD1 4.31Å
139S87.5Confident87.4Confident42 Ų4244 Ų4429%0.29424%0.237SC..  trans-59145.7173.358.60000111.4Q110 D141 F142 L143Q110-S139 PolarHBondContact NE2-OG 2.83Å; S139-D141 PolarHBondContact O-N 3.01Å; S139-F142 WeakPolarHBondContact O-CB 3.22Å; S139-F142 PolarHBondContact O-N 2.84Å; S139-F142 WeakPolarHBondContact OG-CB 3.37Å; S139-F142 PolarHBondContact OG-N 2.85Å; S139-L143 PolarHBondContact O-N 2.82Å
140D87.7Confident87.4Confident118 Ų11844 Ų4463%0.63124%0.237SC*.Hα-helixtrans-54.4-39.5178.6-78.8-37.6000113.1L143 A144D140-L143 PolarHBondContact O-N 3.15Å; D140-A144 WeakPolarHBondContact O-CB 3.07Å; D140-A144 PolarHBondContact O-N 3.42Å
141D89.6Confident87.3Confident122 Ų12250.3 Ų50.365%0.65226%0.261SS*.Hα-helixtrans-62.3-49.6177-67.9-26.8000110.9S139 L143 A144 H145S139-D141 PolarHBondContact O-N 3.01Å; D141-L143 VanDerWaalsContact C-N 3.34Å; D141-L143 PolarHBondContact O-N 3.46Å; D141-A144 WeakPolarHBondContact O-CB 3.42Å; D141-A144 PolarHBondContact O-N 2.93Å; D141-A144 VanDerWaalsContact O-N 3.15Å; D141-H145 PolarHBondContact O-N 3.25Å; D141-H145 PolarHBondContact O-ND1 2.83Å
142F89.5Confident87.3Confident2 Ų251.5 Ų51.51%0.00927%0.266CS..Hα-helixtrans-60.2-43.4177.5-172.9-98.3000111.8L101 L105 Q110 C113 I114 L117 L138 S139 A144 H145 L146L101-F142 HydrophobicContact CD1-CE1 4.06Å; L101-F142 HydrophobicContact CD1-CZ 3.99Å; L101-F142 HydrophobicContact CD2-CE1 4.11Å; L101-F142 HydrophobicContact CG-CE1 4.35Å; L105-F142 HydrophobicContact CD1-CE1 4.28Å; L105-F142 HydrophobicContact CD1-CZ 4.41Å; L105-F142 HydrophobicContact CD2-CD2 4.33Å; L105-F142 HydrophobicContact CD2-CE1 4.32Å; L105-F142 HydrophobicContact CD2-CE2 3.7Å; L105-F142 HydrophobicContact CD2-CZ 3.72Å; L105-F142 HydrophobicContact CG-CZ 4.36Å; Q110-F142 HydrophobicContact CB-CD2 4.1Å; Q110-F142 HydrophobicContact CB-CE2 4.49Å; Q110-F142 HydrophobicContact CG-CD2 4.28Å; C113-F142 HydrophobicContact CB-CE2 4.23Å; C113-F142 HydrophobicContact CB-CZ 4.45Å; I114-F142 HydrophobicContact CD1-CD2 3.72Å; I114-F142 HydrophobicContact CD1-CE2 4.11Å; I114-F142 HydrophobicContact CG1-CD2 3.67Å; I114-F142 HydrophobicContact CG1-CE2 3.51Å; L117-F142 HydrophobicContact CD1-CZ 4.42Å; L138-F142 HydrophobicContact CB-CD1 4.29Å; L138-F142 HydrophobicContact CD1-CD1 4.32Å; L138-F142 HydrophobicContact CD1-CE1 4.41Å; L138-F142 HydrophobicContact CD2-CD1 3.96Å; L138-F142 HydrophobicContact CD2-CE1 3.99Å; L138-F142 HydrophobicContact CG-CD1 4.42Å; S139-F142 WeakPolarHBondContact O-CB 3.22Å; S139-F142 PolarHBondContact O-N 2.84Å; S139-F142 WeakPolarHBondContact OG-CB 3.37Å; S139-F142 PolarHBondContact OG-N 2.85Å; F142-A144 VanDerWaalsContact C-N 3.34Å; F142-A144 PolarHBondContact O-N 2.84Å; F142-H145 PolarHBondContact O-N 2.79Å; F142-L146 HydrophobicContact CD1-CD1 3.82Å; F142-L146 HydrophobicContact CD1-CG 4.13Å; F142-L146 HydrophobicContact CE1-CD1 3.46Å; F142-L146 VanDerWaalsContact CE1-CD1 3.46Å; F142-L146 HydrophobicContact CE1-CD2 4.28Å; F142-L146 HydrophobicContact CE1-CG 3.88Å; F142-L146 HydrophobicContact CZ-CD1 4.3Å; F142-L146 HydrophobicContact CZ-CD2 4.33Å; F142-L146 HydrophobicContact CZ-CG 4.37Å; F142-L146 WeakPolarHBondContact O-CG 3.47Å; F142-L146 PolarHBondContact O-N 2.87Å
143L88.3Confident87.6Confident0 Ų051.1 Ų51.10%026%0.264CS..Hα-helixtrans-62.1-39.8174.3-75.2170.3000112.4V135 L138 S139 D140 D141 H145 L146 R147V135-L143 HydrophobicContact CB-CD1 4.34Å; V135-L143 HydrophobicContact CG1-CD1 4.12Å; L138-L143 HydrophobicContact CB-CD1 4.1Å; L138-L143 HydrophobicContact CB-CD2 3.91Å; L138-L143 HydrophobicContact CB-CG 3.7Å; L138-L143 HydrophobicContact CD1-CD2 3.62Å; L138-L143 HydrophobicContact CD1-CG 4.34Å; L138-L143 HydrophobicContact CG-CD2 4.42Å; S139-L143 PolarHBondContact O-N 2.82Å; D140-L143 PolarHBondContact O-N 3.15Å; D141-L143 VanDerWaalsContact C-N 3.34Å; D141-L143 PolarHBondContact O-N 3.46Å; L143-H145 VanDerWaalsContact C-N 3.32Å; L143-H145 PolarHBondContact O-N 3.21Å; L143-L146 PolarHBondContact O-N 3.38Å; L143-R147 WeakPolarHBondContact O-CB 3.31Å; L143-R147 WeakPolarHBondContact O-CD 3.19Å; L143-R147 WeakPolarHBondContact O-CG 3.38Å; L143-R147 PolarHBondContact O-N 2.95Å
144A88.9Confident87.9Confident51 Ų5151.1 Ų51.142%0.42126%0.264SS..Hα-helixtrans-61.2-42.1175.700000111.4D140 D141 F142 R147 S148D140-A144 WeakPolarHBondContact O-CB 3.07Å; D140-A144 PolarHBondContact O-N 3.42Å; D141-A144 WeakPolarHBondContact O-CB 3.42Å; D141-A144 PolarHBondContact O-N 2.93Å; D141-A144 VanDerWaalsContact O-N 3.15Å; F142-A144 VanDerWaalsContact C-N 3.34Å; F142-A144 PolarHBondContact O-N 2.84Å; A144-R147 PolarHBondContact O-N 2.8Å; A144-S148 PolarHBondContact O-N 2.77Å
145H90.5Very high88.1Confident90 Ų9053.2 Ų53.242%0.41727%0.271SS..Hα-helixtrans-63.2-48.2173.9-68.991.4000111.3I114 D141 F142 L143 R147 S148 L149I114-H145 HydrophobicContact CD1-CB 3.88Å; I114-H145 HydrophobicContact CG1-CB 4.34Å; I114-H145 HydrophobicContact CG2-CB 4.47Å; D141-H145 PolarHBondContact O-N 3.25Å; D141-H145 PolarHBondContact O-ND1 2.83Å; F142-H145 PolarHBondContact O-N 2.79Å; L143-H145 VanDerWaalsContact C-N 3.32Å; L143-H145 PolarHBondContact O-N 3.21Å; H145-R147 VanDerWaalsContact C-N 3.32Å; H145-R147 PolarHBondContact O-N 3.47Å; H145-S148 WeakPolarHBondContact O-CB 3.23Å; H145-S148 PolarHBondContact O-N 2.9Å; H145-S148 PolarHBondContact O-OG 3.48Å; H145-L149 WeakPolarHBondContact O-CG 3.41Å; H145-L149 PolarHBondContact O-N 2.67Å; H145-L149 VanDerWaalsContact O-N 3.08Å
146L90Very high88.4Confident0 Ų051.5 Ų51.50%026%0.261CS..Hα-helixtrans-58.6-42.7176.7-69.7-177.3000112.3F8 L10 L101 L117 L131 L138 F142 L143 S148 L149 A150F8-L146 HydrophobicContact CE1-CB 4.37Å; F8-L146 HydrophobicContact CE1-CD2 4.34Å; F8-L146 WeakPolarHBondContact CE1-O 3.3Å; F8-L146 HydrophobicContact CZ-CD2 4.49Å; L10-L146 HydrophobicContact CD1-CB 4.47Å; L10-L146 HydrophobicContact CD1-CD1 4.24Å; L10-L146 HydrophobicContact CD2-CB 3.95Å; L101-L146 HydrophobicContact CD2-CD1 4.35Å; L117-L146 HydrophobicContact CD1-CD2 3.73Å; L131-L146 HydrophobicContact CD2-CD1 3.9Å; L131-L146 HydrophobicContact CD2-CD2 4.16Å; L138-L146 HydrophobicContact CD1-CD1 4.31Å; F142-L146 HydrophobicContact CD1-CD1 3.82Å; F142-L146 HydrophobicContact CD1-CG 4.13Å; F142-L146 HydrophobicContact CE1-CD1 3.46Å; F142-L146 VanDerWaalsContact CE1-CD1 3.46Å; F142-L146 HydrophobicContact CE1-CD2 4.28Å; F142-L146 HydrophobicContact CE1-CG 3.88Å; F142-L146 HydrophobicContact CZ-CD1 4.3Å; F142-L146 HydrophobicContact CZ-CD2 4.33Å; F142-L146 HydrophobicContact CZ-CG 4.37Å; F142-L146 WeakPolarHBondContact O-CG 3.47Å; F142-L146 PolarHBondContact O-N 2.87Å; L143-L146 PolarHBondContact O-N 3.38Å; L146-S148 VanDerWaalsContact C-N 3.27Å; L146-S148 PolarHBondContact O-N 3.37Å; L146-L149 PolarHBondContact O-N 2.76Å; L146-A150 WeakPolarHBondContact O-CB 3.48Å; L146-A150 PolarHBondContact O-N 2.75Å
147R90Very high88.6Confident68 Ų6846.9 Ų46.926%0.25724%0.242SC..Hα-helixtrans-60.3-37.4175.4-72.7164.6-175.2139.17.4112.1L10 E12 L143 A144 H145 A150 V153 R155L10-R147 HydrophobicContact CD2-CG 3.98Å; E12-R147 VanDerWaalsContact OE1-CG 3.22Å; E12-R147 WeakPolarHBondContact OE1-CG 3.21Å; E12-R147 IonicContact OE1-CZ 3.63Å; E12-R147 IonicContact OE1-NE 3.48Å; E12-R147 PolarHBondContact OE1-NE 2.63Å; E12-R147 IonicContact OE1-NH2 2.9Å; E12-R147 PolarHBondContact OE1-NH2 2.83Å; E12-R147 IonicContact OE2-CZ 3.75Å; E12-R147 IonicContact OE2-NE 3.37Å; E12-R147 PolarHBondContact OE2-NE 3.33Å; E12-R147 IonicContact OE2-NH2 3.43Å; E12-R147 PolarHBondContact OE2-NH2 3.05Å; L143-R147 WeakPolarHBondContact O-CB 3.31Å; L143-R147 WeakPolarHBondContact O-CD 3.19Å; L143-R147 WeakPolarHBondContact O-CG 3.38Å; L143-R147 PolarHBondContact O-N 2.95Å; A144-R147 PolarHBondContact O-N 2.8Å; H145-R147 VanDerWaalsContact C-N 3.32Å; H145-R147 PolarHBondContact O-N 3.47Å; R147-A150 PolarHBondContact O-N 2.84Å; R147-V153 HydrophobicContact CG-CG2 4.39Å; R147-R155 VanDerWaalsContact NE-NH2 3.12Å
148S88.1Confident88.6Confident72 Ų7245 Ų4550%0.50324%0.235SC..Hα-helixtrans-68.5-35.617877.60000112.7A144 H145 L146 A150A144-S148 PolarHBondContact O-N 2.77Å; H145-S148 WeakPolarHBondContact O-CB 3.23Å; H145-S148 PolarHBondContact O-N 2.9Å; H145-S148 PolarHBondContact O-OG 3.48Å; L146-S148 VanDerWaalsContact C-N 3.27Å; L146-S148 PolarHBondContact O-N 3.37Å; S148-A150 VanDerWaalsContact C-N 3.34Å
149L88.1Confident88.3Confident41 Ų4147.3 Ų47.322%0.21525%0.246CC..Hα-helixtrans-75.4-26.9175.2-59.5178000112F8 H118 H145 L146 R151F8-L149 HydrophobicContact CD1-CB 3.98Å; H118-L149 HydrophobicContact CB-CD1 4.29Å; H118-L149 HydrophobicContact CB-CD2 4.31Å; H118-L149 VanDerWaalsContact CD2-CD2 3.49Å; H118-L149 WeakPolarHBondContact CD2-CD2 3.25Å; H145-L149 WeakPolarHBondContact O-CG 3.41Å; H145-L149 PolarHBondContact O-N 2.67Å; H145-L149 VanDerWaalsContact O-N 3.08Å; L146-L149 PolarHBondContact O-N 2.76Å; L149-R151 PolarHBondContact O-N 2.82Å
150A89.3Confident87.7Confident2 Ų250.7 Ų50.72%0.01727%0.269CS..  trans-72.1127.1-17500000110.9F8 L10 L146 R147 S148 K152 V153F8-A150 VanDerWaalsContact CD1-CA 3.44Å; F8-A150 HydrophobicContact CD1-CB 3.71Å; F8-A150 HydrophobicContact CE1-CB 3.95Å; F8-A150 CarbonylContact O-C 3.59Å; L10-A150 HydrophobicContact CB-CB 3.88Å; L146-A150 WeakPolarHBondContact O-CB 3.48Å; L146-A150 PolarHBondContact O-N 2.75Å; R147-A150 PolarHBondContact O-N 2.84Å; S148-A150 VanDerWaalsContact C-N 3.34Å; A150-K152 VanDerWaalsContact C-N 3.29Å; A150-V153 HydrophobicContact CB-CG2 3.6Å
151R87.2Confident86.9Confident132 Ų13251.4 Ų51.450%0.49827%0.273SS..SBendtrans-69.9-35.6168-169.4173.7-173.1170.86110.7A4 E6 F8 L149 H172A4-R151 HydrophobicContact CB-CG 4.47Å; E6-R151 WeakPolarHBondContact O-CD 3.38Å; E6-R151 PolarHBondContact O-NH1 3.15Å; E6-R151 IonicContact OE2-NH1 3.94Å; F8-R151 PolarHBondContact O-N 2.83Å; L149-R151 PolarHBondContact O-N 2.82Å; R151-H172 PolarHBondContact O-N 3.43Å
152K89.2Confident86Confident24 Ų2450.8 Ų50.810%0.10427%0.27CS..EExtended strand (participates in β ladder)trans-141.7127.8-179.2-165.6171.3-174.1169.20110.6E2 A4 F8 N9 L10 A150 H154 E169E2-K152 WeakPolarHBondContact O-CE 3.17Å; E2-K152 PolarHBondContact O-NZ 3.2Å; A4-K152 HydrophobicContact CB-CB 4.25Å; F8-K152 PolarHBondContact O-N 2.9Å; N9-K152 CarbonylContact C-O 3.56Å; N9-K152 VanDerWaalsContact CA-O 3.29Å; N9-K152 WeakPolarHBondContact CA-O 3.32Å; L10-K152 PolarHBondContact N-O 3.37Å; A150-K152 VanDerWaalsContact C-N 3.29Å; K152-H154 WeakPolarHBondContact CD-NE2 3.37Å; K152-H154 VanDerWaalsContact CE-CE1 3.47Å; K152-H154 WeakPolarHBondContact CE-CE1 3.38Å; K152-E169 WeakPolarHBondContact CE-OE1 3.31Å; K152-E169 VanDerWaalsContact CE-OE2 3.25Å; K152-E169 WeakPolarHBondContact CE-OE2 3.09Å; K152-E169 HydrophobicContact CG-CG 4.41Å; K152-E169 IonicContact NZ-OE1 2.95Å; K152-E169 PolarHBondContact NZ-OE1 3.31Å; K152-E169 IonicContact NZ-OE2 3.64Å; K152-E169 PolarHBondContact NZ-OE2 3.09Å
153V90.9Very high85.1Confident6 Ų652.9 Ų52.94%0.03629%0.292CS..EExtended strand (participates in β ladder)trans-111.5130.6174.7-174.80000109L10 E12 R147 A150 E169 I170L10-V153 HydrophobicContact CB-CG1 4.37Å; L10-V153 HydrophobicContact CB-CG2 4.29Å; L10-V153 HydrophobicContact CD2-CG1 4.19Å; L10-V153 HydrophobicContact CD2-CG2 4.4Å; L10-V153 HydrophobicContact CG-CG1 4.38Å; L10-V153 CarbonylContact O-C 3.55Å; L10-V153 VanDerWaalsContact O-CA 3.31Å; L10-V153 WeakPolarHBondContact O-CA 3.42Å; E12-V153 HydrophobicContact CG-CG1 4Å; E12-V153 WeakPolarHBondContact OE1-CG1 3.41Å; R147-V153 HydrophobicContact CG-CG2 4.39Å; A150-V153 HydrophobicContact CB-CG2 3.6Å; V153-E169 WeakPolarHBondContact O-CA 3.46Å; V153-I170 HydrophobicContact CB-CB 4.15Å; V153-I170 PolarHBondContact N-O 2.81Å; V153-I170 PolarHBondContact O-N 3.27Å
154H91.4Very high84.6Confident0 Ų057.7 Ų57.70%031%0.314CS..EExtended strand (participates in β ladder)trans-112.394179.2-62.9-90.6000107.8L10 I11 E12 L22 K152 Y167L10-H154 PolarHBondContact O-N 3.34Å; I11-H154 CarbonylContact C-O 3.59Å; I11-H154 WeakPolarHBondContact CA-O 3.26Å; I11-H154 HydrophobicContact CB-CB 4.42Å; I11-H154 HydrophobicContact CG1-CB 4.06Å; I11-H154 HydrophobicContact CG2-CB 4.4Å; E12-H154 PolarHBondContact N-O 3.3Å; L22-H154 HydrophobicContact CD2-CB 4.47Å; K152-H154 WeakPolarHBondContact CD-NE2 3.37Å; K152-H154 VanDerWaalsContact CE-CE1 3.47Å; K152-H154 WeakPolarHBondContact CE-CE1 3.38Å; H154-Y167 HydrophobicContact CB-CE2 3.84Å; H154-Y167 PolarHBondContact CE1-OH 3.21Å; H154-Y167 AromaticContact ND1-CE2 3.48Å; H154-Y167 WeakPolarHBondContact ND1-CE2 3.4Å; H154-Y167 AromaticContact ND1-CZ 3.5Å; H154-Y167 PolarHBondContact ND1-OH 3.22Å
155R90.2Very high84.1Confident52 Ų5258 Ų5820%0.19631%0.311CS..EExtended strand (participates in β ladder)trans-95.8126.6-178.7177.9179.4-68.6173.9-1110.9E12 R147 Q168E12-R155 HydrophobicContact CB-CB 4.25Å; E12-R155 HydrophobicContact CB-CG 4.29Å; E12-R155 IonicContact OE1-NH2 2.77Å; E12-R155 IonicContact OE2-CZ 2.75Å; E12-R155 IonicContact OE2-NE 3.41Å; E12-R155 PolarHBondContact OE2-NE 3.13Å; E12-R155 IonicContact OE2-NH2 2.96Å; E12-R155 PolarHBondContact OE2-NH2 3.25Å; R147-R155 VanDerWaalsContact NE-NH2 3.12Å; R155-Q168 HydrophobicContact CB-CB 4.28Å; R155-Q168 PolarHBondContact N-O 3.02Å; R155-Q168 PolarHBondContact O-N 2.81Å
156L89.3Confident83.7Confident3 Ų354 Ų542%0.01629%0.293CS..EExtended strand (participates in β ladder)trans-99.3123.8169.3-71.4175.8000109.5E12 C14 L17 A19 L22 V165 Y167 F181E12-L156 PolarHBondContact O-N 2.89Å; C14-L156 VanDerWaalsContact CB-O 3.3Å; C14-L156 WeakPolarHBondContact CB-O 3.43Å; C14-L156 PolarHBondContact N-O 2.81Å; C14-L156 PolarHBondContact SG-O 3.03Å; L17-L156 HydrophobicContact CD1-CB 3.94Å; A19-L156 HydrophobicContact CB-CD1 3.95Å; L22-L156 HydrophobicContact CB-CD1 4.14Å; L22-L156 HydrophobicContact CD2-CD1 3.84Å; L22-L156 HydrophobicContact CD2-CD2 3.85Å; L22-L156 HydrophobicContact CD2-CG 3.79Å; L156-V165 HydrophobicContact CD2-CG1 4.07Å; L156-Y167 HydrophobicContact CD2-CD2 4.29Å; L156-F181 HydrophobicContact CD2-CE1 3.79Å; L156-F181 HydrophobicContact CD2-CZ 3.59Å
157S85.9Confident83.5Confident23 Ų2354 Ų5416%0.16129%0.293CS..EExtended strand (participates in β ladder)trans-137148.3179.2570000110.9V166S157-V166 PolarHBondContact N-O 3.1Å; S157-V166 PolarHBondContact O-N 3.06Å
158L82.1Confident83.2Confident86 Ų8652.9 Ų52.945%0.4529%0.29SS..EExtended strand (participates in β ladder)trans-84.1135.2169.2-72.4168.7000110L17 G163 V165L17-L158 HydrophobicContact CD1-CG 4.05Å; L17-L158 HydrophobicContact CD2-CD1 4.29Å; L17-L158 HydrophobicContact CD2-CD2 3.69Å; L17-L158 HydrophobicContact CD2-CG 3.82Å; L17-L158 HydrophobicContact CG-CD1 4.39Å; L17-L158 HydrophobicContact CG-CD2 4.41Å; L17-L158 HydrophobicContact CG-CG 3.99Å; L158-G163 VanDerWaalsContact CD2-O 3.31Å; L158-G163 WeakPolarHBondContact CD2-O 3.29Å; L158-V165 HydrophobicContact CD2-CG2 4.17Å
159E80.7Confident83Confident60 Ų6050 Ų5028%0.2827%0.269SS..  trans-78.8127.9170.1-170.9160.2-138.400110.1D161 N162 G163 H164 V166 R195E159-D161 PolarHBondContact O-N 2.92Å; E159-D161 VanDerWaalsContact O-N 3.13Å; E159-N162 PolarHBondContact O-N 3.08Å; E159-G163 WeakPolarHBondContact O-CA 3.46Å; E159-G163 PolarHBondContact O-N 3.3Å; E159-H164 PolarHBondContact N-O 2.9Å; E159-V166 HydrophobicContact CB-CG2 3.86Å; E159-R195 VanDerWaalsContact CD-NH1 3.27Å; E159-R195 IonicContact OE1-CZ 2.82Å; E159-R195 IonicContact OE1-NH1 3.07Å; E159-R195 PolarHBondContact OE1-NH1 3.07Å; E159-R195 IonicContact OE1-NH2 2.75Å; E159-R195 IonicContact OE2-CZ 3.19Å; E159-R195 IonicContact OE2-NH1 3.8Å; E159-R195 PolarHBondContact OE2-NH1 3.33Å; E159-R195 VanDerWaalsContact OE2-NH1 3.07Å; E159-R195 IonicContact OE2-NH2 3.1Å; E159-R195 PolarHBondContact OE2-NH2 2.85Å
160S74Confident82.8Confident113 Ų11348.9 Ų48.979%0.7926%0.263SS*.THydrogen-bonded Turntrans-54.5-33.9-174.1500000114
161D71.3Confident82.2Confident133 Ų13350.3 Ų50.371%0.71127%0.272SS*.THydrogen-bonded Turntrans-84.2-30.6-164.9-61.4-2.2000112E159E159-D161 PolarHBondContact O-N 2.92Å; E159-D161 VanDerWaalsContact O-N 3.13Å
162N72.2Confident81.3Confident109 Ų10949.9 Ų49.958%0.58328%0.276SS*.THydrogen-bonded Turntrans-131.5-5.4-172.5-67.64.4000114.4E159 H164E159-N162 PolarHBondContact O-N 3.08Å; N162-H164 HydrophobicContact CB-CB 4.5Å; N162-H164 WeakPolarHBondContact CB-CD2 3.34Å; N162-H164 WeakPolarHBondContact CB-NE2 3.4Å; N162-H164 PolarHBondContact ND2-CD2 3.36Å; N162-H164 VanDerWaalsContact ND2-CD2 3.3Å; N162-H164 PolarHBondContact ND2-NE2 2.86Å; N162-H164 PolarHBondContact O-N 2.78Å
163G70.5Confident80.5Confident46 Ų4655 Ų5547%0.47431%0.305SS..  trans63.420.4-17100000113.3L158 E159L158-G163 VanDerWaalsContact CD2-O 3.31Å; L158-G163 WeakPolarHBondContact CD2-O 3.29Å; E159-G163 WeakPolarHBondContact O-CA 3.46Å; E159-G163 PolarHBondContact O-N 3.3Å
164H76.6Confident79.7Confident101 Ų10160.9 Ų60.947%0.46834%0.335SS..  trans-73.7136176.2-71.1-44000110.3E159 N162 V166E159-H164 PolarHBondContact N-O 2.9Å; N162-H164 HydrophobicContact CB-CB 4.5Å; N162-H164 WeakPolarHBondContact CB-CD2 3.34Å; N162-H164 WeakPolarHBondContact CB-NE2 3.4Å; N162-H164 PolarHBondContact ND2-CD2 3.36Å; N162-H164 VanDerWaalsContact ND2-CD2 3.3Å; N162-H164 PolarHBondContact ND2-NE2 2.86Å; N162-H164 PolarHBondContact O-N 2.78Å; H164-V166 PolarHBondContact O-N 3.27Å
165V78.8Confident79Confident58 Ų5863.8 Ų63.835%0.35235%0.353SS..EExtended strand (participates in β ladder)trans-72.1117.9173.6-171.20000108.7L17 L156 L158 F181L17-V165 HydrophobicContact CD1-CG1 4.26Å; L17-V165 HydrophobicContact CD2-CG1 4.2Å; L17-V165 HydrophobicContact CD2-CG2 3.75Å; L156-V165 HydrophobicContact CD2-CG1 4.07Å; L158-V165 HydrophobicContact CD2-CG2 4.17Å; V165-F181 HydrophobicContact CG1-CE1 3.9Å; V165-F181 HydrophobicContact CG1-CZ 3.97Å
166V81.7Confident78.7Confident6 Ų669.2 Ų69.24%0.03637%0.374CS..EExtended strand (participates in β ladder)trans-106.7131.6176177.90000108.5S157 E159 H164 Q168 T178S157-V166 PolarHBondContact N-O 3.1Å; S157-V166 PolarHBondContact O-N 3.06Å; E159-V166 HydrophobicContact CB-CG2 3.86Å; H164-V166 PolarHBondContact O-N 3.27Å; V166-Q168 HydrophobicContact CG1-CG 4.33Å; V166-T178 HydrophobicContact CG1-CG2 3.26Å
167Y85.7Confident78.4Confident0 Ų073.4 Ų73.40%039%0.389CS..EExtended strand (participates in β ladder)trans-101.8128.1172.5164.5-90.3000109.9M1 L22 H154 L156 E169 T178 W179 F181M1-Y167 HydrophobicContact CE-CD1 3.38Å; M1-Y167 HydrophobicContact CE-CE1 3.71Å; M1-Y167 HydrophobicContact CE-CG 4.08Å; M1-Y167 HydrophobicContact CG-CE1 4.04Å; M1-Y167 HydrophobicContact SD-CD1 3.9Å; M1-Y167 HydrophobicContact SD-CE1 3.8Å; M1-Y167 HydrophobicContact SD-CG 4.37Å; L22-Y167 HydrophobicContact CD1-CD2 4.19Å; L22-Y167 HydrophobicContact CD1-CE2 4.26Å; L22-Y167 HydrophobicContact CD2-CD2 3.8Å; L22-Y167 HydrophobicContact CD2-CE2 3.93Å; H154-Y167 HydrophobicContact CB-CE2 3.84Å; H154-Y167 PolarHBondContact CE1-OH 3.21Å; H154-Y167 AromaticContact ND1-CE2 3.48Å; H154-Y167 WeakPolarHBondContact ND1-CE2 3.4Å; H154-Y167 AromaticContact ND1-CZ 3.5Å; H154-Y167 PolarHBondContact ND1-OH 3.22Å; L156-Y167 HydrophobicContact CD2-CD2 4.29Å; Y167-E169 HydrophobicContact CE1-CB 3.87Å; Y167-E169 PolarHBondContact OH-OE2 2.93Å; Y167-T178 CarbonylContact O-C 3.54Å; Y167-W179 HydrophobicContact CD1-CB 3.83Å; Y167-W179 AromaticContact CD1-CD1 3.44Å; Y167-W179 VanDerWaalsContact CD1-CD1 3.44Å; Y167-W179 AromaticContact CD1-CG 3.81Å; Y167-W179 HydrophobicContact CD1-CG 3.81Å; Y167-W179 AromaticContact CE1-CD1 3.49Å; Y167-W179 VanDerWaalsContact CE1-CD1 3.49Å; Y167-W179 HydrophobicContact CE1-CG 4.09Å; Y167-W179 AromaticContact CE1-NE1 3.95Å; Y167-W179 PolarHBondContact N-O 3.38Å; Y167-W179 VanDerWaalsContact N-O 3.15Å; Y167-W179 PolarHBondContact O-N 3.03Å; Y167-F181 HydrophobicContact CG-CD1 4.4Å
168Q83.9Confident78.5Confident44 Ų4473.2 Ų73.221%0.20639%0.387CS..EExtended strand (participates in β ladder)trans-114.9125.8174.4-65.7-178.1-600109.6R155 V166 T178R155-Q168 HydrophobicContact CB-CB 4.28Å; R155-Q168 PolarHBondContact N-O 3.02Å; R155-Q168 PolarHBondContact O-N 2.81Å; V166-Q168 HydrophobicContact CG1-CG 4.33Å; Q168-T178 HydrophobicContact CG-CG2 4.19Å
169E84.4Confident78.6Confident10 Ų1071.1 Ų71.15%0.04737%0.373CS..EExtended strand (participates in β ladder)trans-98.2119.5169175.7174.5144.500108.5K152 V153 Y167 R176 R177K152-E169 WeakPolarHBondContact CE-OE1 3.31Å; K152-E169 VanDerWaalsContact CE-OE2 3.25Å; K152-E169 WeakPolarHBondContact CE-OE2 3.09Å; K152-E169 HydrophobicContact CG-CG 4.41Å; K152-E169 IonicContact NZ-OE1 2.95Å; K152-E169 PolarHBondContact NZ-OE1 3.31Å; K152-E169 IonicContact NZ-OE2 3.64Å; K152-E169 PolarHBondContact NZ-OE2 3.09Å; V153-E169 WeakPolarHBondContact O-CA 3.46Å; Y167-E169 HydrophobicContact CE1-CB 3.87Å; Y167-E169 PolarHBondContact OH-OE2 2.93Å; E169-R176 CarbonylContact O-C 3.56Å; E169-R176 WeakPolarHBondContact O-CA 3.41Å; E169-R177 HydrophobicContact CB-CB 4.29Å; E169-R177 PolarHBondContact N-O 2.84Å; E169-R177 PolarHBondContact O-N 2.83Å; E169-R177 IonicContact OE1-NH1 3.67Å
170I82.7Confident78.9Confident19 Ų1971 Ų7110%0.09738%0.375CS..EExtended strand (participates in β ladder)trans-113.7113.1175.2-46.3175.2000107V153 R176V153-I170 HydrophobicContact CB-CB 4.15Å; V153-I170 PolarHBondContact N-O 2.81Å; V153-I170 PolarHBondContact O-N 3.27Å; I170-R176 HydrophobicContact CG1-CG 4.23Å; I170-R176 HydrophobicContact CG2-CG 4.27Å
171C78.3Confident79.4Confident32 Ų3267.1 Ų67.122%0.21634%0.344CS..EExtended strand (participates in β ladder)trans-88.2156.9173.5-60.30000110.2N173 N174 V175C171-N173 PolarHBondContact O-N 3.15Å; C171-N174 WeakPolarHBondContact O-CA 3.3Å; C171-N174 PolarHBondContact O-N 3.4Å; C171-V175 PolarHBondContact N-O 3.04Å; C171-V175 VanDerWaalsContact N-O 3.1Å
172H67.1Low80Confident122 Ų12266.5 Ų66.557%0.56534%0.336SS*.THydrogen-bonded Turntrans-44.8-34.2178.9-169.575.1000114.7R151 N174R151-H172 PolarHBondContact O-N 3.43Å; H172-N174 PolarHBondContact O-N 3.43Å
173N72.2Confident80.6Confident133 Ų13363.2 Ų63.271%0.71132%0.319SS*.THydrogen-bonded Turntrans-76.220.8176.6-59.814.7000113.9C171 V175C171-N173 PolarHBondContact O-N 3.15Å; N173-V175 HydrophobicContact CB-CG2 4.12Å; N173-V175 PolarHBondContact O-N 3.41Å
174N74.4Confident81.3Confident128 Ų12863.3 Ų63.368%0.68431%0.308SS*.  trans53.919.3-172.2-70.6-44.2000114.9C171 H172 R176C171-N174 WeakPolarHBondContact O-CA 3.3Å; C171-N174 PolarHBondContact O-N 3.4Å; H172-N174 PolarHBondContact O-N 3.43Å; N174-R176 PolarHBondContact O-N 3.13Å; N174-R176 VanDerWaalsContact O-N 3.13Å
175V77.9Confident81.5Confident62 Ų6264 Ų6438%0.37633%0.325SS..  trans-75.3108.2175.5178.20000107.7C171 N173 R177C171-V175 PolarHBondContact N-O 3.04Å; C171-V175 VanDerWaalsContact N-O 3.1Å; N173-V175 HydrophobicContact CB-CG2 4.12Å; N173-V175 PolarHBondContact O-N 3.41Å; V175-R177 HydrophobicContact CG1-CG 4.23Å
176R82.8Confident81.8Confident165 Ų16564.2 Ų64.262%0.62333%0.329SS*.EExtended strand (participates in β ladder)trans-90.8130175.5-59.1-172.9-177.8177.50.7110E169 I170 N174E169-R176 CarbonylContact O-C 3.56Å; E169-R176 WeakPolarHBondContact O-CA 3.41Å; I170-R176 HydrophobicContact CG1-CG 4.23Å; I170-R176 HydrophobicContact CG2-CG 4.27Å; N174-R176 PolarHBondContact O-N 3.13Å; N174-R176 VanDerWaalsContact O-N 3.13Å
177R84.3Confident81.9Confident92 Ų9266.9 Ų66.935%0.34734%0.338SS..EExtended strand (participates in β ladder)trans-128.2116.5174.6-60.9174.5-179.8169.9-3.5108.3E169 V175 W179E169-R177 HydrophobicContact CB-CB 4.29Å; E169-R177 PolarHBondContact N-O 2.84Å; E169-R177 PolarHBondContact O-N 2.83Å; E169-R177 IonicContact OE1-NH1 3.67Å; V175-R177 HydrophobicContact CG1-CG 4.23Å; R177-W179 PolarHBondContact O-NE1 3.49Å
178T86.4Confident81.9Confident19 Ų1970 Ų7012%0.11736%0.355CS..EExtended strand (participates in β ladder)trans-94.5139.6178.1-50.80000109.8V166 Y167 Q168 R195V166-T178 HydrophobicContact CG1-CG2 3.26Å; Y167-T178 CarbonylContact O-C 3.54Å; Q168-T178 HydrophobicContact CG-CG2 4.19Å; T178-R195 HydrophobicContact CG2-CB 4.44Å; T178-R195 HydrophobicContact CG2-CG 4.42Å; T178-R195 PolarHBondContact O-N 3.17Å
179W85.9Confident81.9Confident42 Ų4270.2 Ų70.216%0.15936%0.355CS..EExtended strand (participates in β ladder)trans-137143.6-179.1-49.571.9000111.4M1 Y167 R177 K193 R194M1-W179 HydrophobicContact CE-CB 3.23Å; M1-W179 HydrophobicContact CE-CD2 3.89Å; M1-W179 HydrophobicContact CE-CE3 4.13Å; M1-W179 HydrophobicContact CE-CG 3.52Å; Y167-W179 HydrophobicContact CD1-CB 3.83Å; Y167-W179 AromaticContact CD1-CD1 3.44Å; Y167-W179 VanDerWaalsContact CD1-CD1 3.44Å; Y167-W179 AromaticContact CD1-CG 3.81Å; Y167-W179 HydrophobicContact CD1-CG 3.81Å; Y167-W179 AromaticContact CE1-CD1 3.49Å; Y167-W179 VanDerWaalsContact CE1-CD1 3.49Å; Y167-W179 HydrophobicContact CE1-CG 4.09Å; Y167-W179 AromaticContact CE1-NE1 3.95Å; Y167-W179 PolarHBondContact N-O 3.38Å; Y167-W179 VanDerWaalsContact N-O 3.15Å; Y167-W179 PolarHBondContact O-N 3.03Å; R177-W179 PolarHBondContact O-NE1 3.49Å; W179-K193 VanDerWaalsContact CA-O 3.31Å; W179-K193 WeakPolarHBondContact CA-O 3.2Å; W179-R194 HydrophobicContact CD2-CB 4.1Å; W179-R194 HydrophobicContact CD2-CG 4.4Å; W179-R194 HydrophobicContact CE3-CB 3.73Å; W179-R194 HydrophobicContact CE3-CG 4.49Å; W179-R194 HydrophobicContact CH2-CB 4.01Å; W179-R194 HydrophobicContact CH2-CG 4.44Å; W179-R194 HydrophobicContact CZ2-CB 4.38Å; W179-R194 HydrophobicContact CZ2-CG 4.37Å; W179-R194 HydrophobicContact CZ3-CB 3.68Å
180D85Confident81.8Confident57 Ų5774.9 Ų74.931%0.30538%0.38SS..EExtended strand (participates in β ladder)trans-88.8131.8159.7-59.7-55.9000108.2A192 K193 R195D180-A192 CarbonylContact O-C 3.55Å; D180-A192 WeakPolarHBondContact O-CA 3.36Å; D180-K193 PolarHBondContact N-O 3.43Å; D180-K193 PolarHBondContact O-N 2.8Å; D180-R195 VanDerWaalsContact CG-NE 3.28Å; D180-R195 IonicContact OD1-CZ 2.76Å; D180-R195 IonicContact OD1-NE 2.8Å; D180-R195 PolarHBondContact OD1-NE 3.44Å; D180-R195 IonicContact OD1-NH2 2.9Å; D180-R195 PolarHBondContact OD1-NH2 2.9Å; D180-R195 VanDerWaalsContact OD2-CG 3.3Å; D180-R195 WeakPolarHBondContact OD2-CG 3.49Å; D180-R195 IonicContact OD2-NE 2.67Å; D180-R195 PolarHBondContact OD2-NE 3.42Å; D180-R195 VanDerWaalsContact OD2-NE 3.1Å
181F85.3Confident81.5Confident32 Ų3275.7 Ų75.714%0.1439%0.387CS..EExtended strand (participates in β ladder)trans-141.1156179.776.6-72.6000112.4M1 L22 L156 V165 Y167 I183 F189 S191M1-F181 HydrophobicContact CE-CB 3.64Å; M1-F181 HydrophobicContact CE-CG 4.26Å; M1-F181 HydrophobicContact SD-CB 4.22Å; L22-F181 HydrophobicContact CD1-CE2 4.31Å; L156-F181 HydrophobicContact CD2-CE1 3.79Å; L156-F181 HydrophobicContact CD2-CZ 3.59Å; V165-F181 HydrophobicContact CG1-CE1 3.9Å; V165-F181 HydrophobicContact CG1-CZ 3.97Å; Y167-F181 HydrophobicContact CG-CD1 4.4Å; F181-I183 HydrophobicContact CD2-CD1 3.9Å; F181-I183 HydrophobicContact CD2-CG1 3.68Å; F181-I183 HydrophobicContact CE2-CD1 3.56Å; F181-I183 HydrophobicContact CE2-CG1 3.76Å; F181-F189 HydrophobicContact CD2-CE1 4.32Å; F181-S191 WeakPolarHBondContact CA-O 3.34Å
182Q84.9Confident81.6Confident119 Ų11976.1 Ų76.156%0.55639%0.393SS*.EExtended strand (participates in β ladder)trans-137.2136.8171.2-68.5179.1-24.800109I190 S191Q182-I190 HydrophobicContact CB-CB 4.29Å; Q182-I190 HydrophobicContact CB-CD1 4.45Å; Q182-I190 PolarHBondContact O-N 2.94Å; Q182-S191 PolarHBondContact N-O 3.24Å
183I84.6Confident82.4Confident41 Ų4177.7 Ų77.721%0.2140%0.398CS..EExtended strand (participates in β ladder)trans-114.9131.6179.3-56.6-178.7000107.8P21 L22 A25 F181 N188 F189P21-I183 HydrophobicContact CB-CD1 4.38Å; P21-I183 WeakPolarHBondContact O-CD1 3.27Å; L22-I183 HydrophobicContact CB-CD1 4.33Å; L22-I183 HydrophobicContact CD1-CD1 4.38Å; A25-I183 HydrophobicContact CB-CD1 3.86Å; A25-I183 HydrophobicContact CB-CG1 4.38Å; A25-I183 HydrophobicContact CB-CG2 4.07Å; F181-I183 HydrophobicContact CD2-CD1 3.9Å; F181-I183 HydrophobicContact CD2-CG1 3.68Å; F181-I183 HydrophobicContact CE2-CD1 3.56Å; F181-I183 HydrophobicContact CE2-CG1 3.76Å; I183-N188 WeakPolarHBondContact CA-O 3.37Å; I183-F189 HydrophobicContact CD1-CE1 4.22Å; I183-F189 HydrophobicContact CG1-CD1 4.19Å; I183-F189 HydrophobicContact CG1-CE1 4.23Å
184D84.2Confident82.8Confident47 Ų4778 Ų7825%0.25139%0.389SS..  trans-75.7171.3173.469.116.5000112S186 Y187 N188 I190D184-S186 PolarHBondContact O-N 2.76Å; D184-S186 VanDerWaalsContact O-N 3.13Å; D184-S186 WeakPolarHBondContact OD1-CA 3.32Å; D184-S186 WeakPolarHBondContact OD1-CB 3.47Å; D184-S186 PolarHBondContact OD1-N 3.36Å; D184-Y187 PolarHBondContact O-N 3.27Å; D184-Y187 PolarHBondContact OD1-N 3.37Å; D184-N188 PolarHBondContact N-O 3.45Å; D184-N188 PolarHBondContact OD1-N 2.97Å; D184-N188 PolarHBondContact OD1-ND2 3.26Å; D184-N188 WeakPolarHBondContact OD2-CB 3.4Å; D184-N188 PolarHBondContact OD2-ND2 3.24Å; D184-I190 HydrophobicContact CB-CD1 3.69Å; D184-I190 HydrophobicContact CB-CG1 3.75Å
185S82.3Confident83Confident117 Ų11775.1 Ų75.182%0.81837%0.369SS*.THydrogen-bonded Turntrans-64-13.9174.753.50000113.9
186S83.6Confident82.8Confident62 Ų6277.5 Ų77.543%0.43438%0.383SS..THydrogen-bonded Turntrans-96.610.2175.9-62.10000112.7K28 D184 N188K28-S186 PolarHBondContact NZ-O 2.85Å; D184-S186 PolarHBondContact O-N 2.76Å; D184-S186 VanDerWaalsContact O-N 3.13Å; D184-S186 WeakPolarHBondContact OD1-CA 3.32Å; D184-S186 WeakPolarHBondContact OD1-CB 3.47Å; D184-S186 PolarHBondContact OD1-N 3.36Å; S186-N188 PolarHBondContact O-N 2.87Å
187Y85.2Confident81.7Confident62 Ų6277.3 Ų77.324%0.24339%0.389CS..SBendtrans59.636.1-178.5-46-73.7000115P21 K24 A25 F53 D184P21-Y187 HydrophobicContact CB-CD1 4.49Å; P21-Y187 HydrophobicContact CB-CE1 4.5Å; K24-Y187 HydrophobicContact CB-CD1 3.64Å; K24-Y187 HydrophobicContact CB-CD2 4.21Å; K24-Y187 HydrophobicContact CB-CE1 4.11Å; K24-Y187 HydrophobicContact CB-CG 3.68Å; K24-Y187 HydrophobicContact CD-CD1 3.96Å; K24-Y187 HydrophobicContact CD-CD2 4.19Å; K24-Y187 HydrophobicContact CD-CE1 3.51Å; K24-Y187 HydrophobicContact CD-CE2 3.78Å; K24-Y187 HydrophobicContact CD-CG 4.26Å; K24-Y187 HydrophobicContact CG-CD1 4.41Å; K24-Y187 HydrophobicContact CG-CE1 4.4Å; K24-Y187 PolarHBondContact NZ-OH 3.15Å; A25-Y187 VanDerWaalsContact CA-O 3.22Å; A25-Y187 WeakPolarHBondContact CA-O 3.35Å; A25-Y187 VanDerWaalsContact CB-O 3.32Å; A25-Y187 WeakPolarHBondContact CB-O 3.41Å; F53-Y187 HydrophobicContact CB-CD2 3.75Å; F53-Y187 HydrophobicContact CB-CE2 4.15Å; F53-Y187 AromaticContact CD1-CD2 3.9Å; F53-Y187 HydrophobicContact CD1-CD2 3.9Å; F53-Y187 AromaticContact CD1-CE2 3.91Å; F53-Y187 HydrophobicContact CD1-CE2 3.91Å; F53-Y187 HydrophobicContact CD2-CD2 4.03Å; F53-Y187 AromaticContact CG-CD2 3.61Å; F53-Y187 HydrophobicContact CG-CD2 3.61Å; F53-Y187 HydrophobicContact CG-CE2 4.05Å; D184-Y187 PolarHBondContact O-N 3.27Å; D184-Y187 PolarHBondContact OD1-N 3.37Å
188N85Confident79.9Confident66 Ų6678.3 Ų78.335%0.35341%0.405SS..  trans-99.8145.5167.2-48.8-68.8000110.7K28 I183 D184 S186 I190K28-N188 WeakPolarHBondContact CE-OD1 3.49Å; K28-N188 PolarHBondContact NZ-ND2 3.28Å; K28-N188 PolarHBondContact NZ-OD1 3.18Å; I183-N188 WeakPolarHBondContact CA-O 3.37Å; D184-N188 PolarHBondContact N-O 3.45Å; D184-N188 PolarHBondContact OD1-N 2.97Å; D184-N188 PolarHBondContact OD1-ND2 3.26Å; D184-N188 WeakPolarHBondContact OD2-CB 3.4Å; D184-N188 PolarHBondContact OD2-ND2 3.24Å; S186-N188 PolarHBondContact O-N 2.87Å; N188-I190 PolarHBondContact O-N 3.2Å
189F83.9Confident77.8Confident48 Ų4886.5 Ų86.521%0.21144%0.439CS..EExtended strand (participates in β ladder)trans-70.6109.5168.8-66.1-73.7000110.1M1 L22 A25 L26 F181 I183M1-F189 HydrophobicContact CB-CE1 4.41Å; M1-F189 HydrophobicContact CB-CE2 4.29Å; M1-F189 HydrophobicContact CB-CZ 4.03Å; M1-F189 HydrophobicContact SD-CD1 4.14Å; M1-F189 HydrophobicContact SD-CE1 3.63Å; M1-F189 HydrophobicContact SD-CZ 4.13Å; L22-F189 HydrophobicContact CD1-CE1 4.12Å; L22-F189 HydrophobicContact CD1-CZ 4.18Å; A25-F189 HydrophobicContact CB-CD2 4.39Å; A25-F189 HydrophobicContact CB-CE1 4.2Å; A25-F189 HydrophobicContact CB-CE2 3.88Å; A25-F189 HydrophobicContact CB-CZ 3.77Å; L26-F189 HydrophobicContact CD2-CE2 4.29Å; L26-F189 HydrophobicContact CD2-CZ 3.93Å; L26-F189 HydrophobicContact CG-CZ 4.25Å; F181-F189 HydrophobicContact CD2-CE1 4.32Å; I183-F189 HydrophobicContact CD1-CE1 4.22Å; I183-F189 HydrophobicContact CG1-CD1 4.19Å; I183-F189 HydrophobicContact CG1-CE1 4.23Å
190I81.6Confident75.6Confident108 Ų10893.8 Ų93.855%0.55447%0.472SS*.EExtended strand (participates in β ladder)trans-74.6-42.2173.5-56.1166.4000109.6Q182 D184 N188Q182-I190 HydrophobicContact CB-CB 4.29Å; Q182-I190 HydrophobicContact CB-CD1 4.45Å; Q182-I190 PolarHBondContact O-N 2.94Å; D184-I190 HydrophobicContact CB-CD1 3.69Å; D184-I190 HydrophobicContact CB-CG1 3.75Å; N188-I190 PolarHBondContact O-N 3.2Å
191S77.7Confident72.9Confident36 Ų3699.8 Ų99.825%0.25250%0.495SS..EExtended strand (participates in β ladder)trans-143142.8176.865.90000110.3F181 Q182F181-S191 WeakPolarHBondContact CA-O 3.34Å; Q182-S191 PolarHBondContact N-O 3.24Å
192A80Confident70.8Confident41 Ų41104 Ų10434%0.33953%0.526SS..EExtended strand (participates in β ladder)trans-144.985.8173.300000107.8M1 D180M1-A192 HydrophobicContact CE-CB 4.07Å; M1-A192 HydrophobicContact CG-CB 4.42Å; M1-A192 HydrophobicContact SD-CB 4.46Å; D180-A192 CarbonylContact O-C 3.55Å; D180-A192 WeakPolarHBondContact O-CA 3.36Å
193K82.9Confident68.3Low154 Ų154104.5 Ų104.567%0.6754%0.538SS*.EExtended strand (participates in β ladder)trans-98.3121.6-179.9-69-177.9-177.6175.70109.1W179 D180 R195W179-K193 VanDerWaalsContact CA-O 3.31Å; W179-K193 WeakPolarHBondContact CA-O 3.2Å; D180-K193 PolarHBondContact N-O 3.43Å; D180-K193 PolarHBondContact O-N 2.8Å; K193-R195 PolarHBondContact O-N 2.84Å
194R81.2Confident65.7Low139 Ų139107.3 Ų107.353%0.52556%0.56SS.*EExtended strand (participates in β ladder)trans-69.7124172.9-173.7178.6174.8-167-1.6108.8W179 V196W179-R194 HydrophobicContact CD2-CB 4.1Å; W179-R194 HydrophobicContact CD2-CG 4.4Å; W179-R194 HydrophobicContact CE3-CB 3.73Å; W179-R194 HydrophobicContact CE3-CG 4.49Å; W179-R194 HydrophobicContact CH2-CB 4.01Å; W179-R194 HydrophobicContact CH2-CG 4.44Å; W179-R194 HydrophobicContact CZ2-CB 4.38Å; W179-R194 HydrophobicContact CZ2-CG 4.37Å; W179-R194 HydrophobicContact CZ3-CB 3.68Å; R194-V196 PolarHBondContact O-N 2.99Å
195R79.3Confident63.5Low69 Ų69110.8 Ų110.826%0.2659%0.586SS.*PPolyproline II helixtrans-69.9117.2165.6-66.1-169.3-179-173.21.3107.4E159 T178 D180 K193 E197E159-R195 VanDerWaalsContact CD-NH1 3.27Å; E159-R195 IonicContact OE1-CZ 2.82Å; E159-R195 IonicContact OE1-NH1 3.07Å; E159-R195 PolarHBondContact OE1-NH1 3.07Å; E159-R195 IonicContact OE1-NH2 2.75Å; E159-R195 IonicContact OE2-CZ 3.19Å; E159-R195 IonicContact OE2-NH1 3.8Å; E159-R195 PolarHBondContact OE2-NH1 3.33Å; E159-R195 VanDerWaalsContact OE2-NH1 3.07Å; E159-R195 IonicContact OE2-NH2 3.1Å; E159-R195 PolarHBondContact OE2-NH2 2.85Å; T178-R195 HydrophobicContact CG2-CB 4.44Å; T178-R195 HydrophobicContact CG2-CG 4.42Å; T178-R195 PolarHBondContact O-N 3.17Å; D180-R195 VanDerWaalsContact CG-NE 3.28Å; D180-R195 IonicContact OD1-CZ 2.76Å; D180-R195 IonicContact OD1-NE 2.8Å; D180-R195 PolarHBondContact OD1-NE 3.44Å; D180-R195 IonicContact OD1-NH2 2.9Å; D180-R195 PolarHBondContact OD1-NH2 2.9Å; D180-R195 VanDerWaalsContact OD2-CG 3.3Å; D180-R195 WeakPolarHBondContact OD2-CG 3.49Å; D180-R195 IonicContact OD2-NE 2.67Å; D180-R195 PolarHBondContact OD2-NE 3.42Å; D180-R195 VanDerWaalsContact OD2-NE 3.1Å; K193-R195 PolarHBondContact O-N 2.84Å; R195-E197 PolarHBondContact O-N 3.02Å
196V72.8Confident61Low112 Ų112111.2 Ų111.268%0.67958%0.583SS**  trans-82.1111.7163.6-179.10000104.9R194 V198R194-V196 PolarHBondContact O-N 2.99Å; V196-V198 PolarHBondContact O-N 2.91Å
197E59.4Low58.4Low161 Ų161115 Ų11575%0.75260%0.599SS**  trans-59.497.6162.9-76.8-177.3-174.300106.8R195 K199R195-E197 PolarHBondContact O-N 3.02Å; E197-K199 PolarHBondContact O-N 3.11Å
198V46Very low56.5Low113 Ų113117.8 Ų117.869%0.68563%0.625SS**  trans-64.999162-178.20000103.3V196 K200V196-V198 PolarHBondContact O-N 2.91Å; V198-K200 PolarHBondContact O-N 2.9Å
199K43.9Very low53.9Low190 Ų190121 Ų12183%0.82665%0.647SS**  trans-47.1103.5156.2-77.4-173.9176.7-177.70103.9E197 K201E197-K199 PolarHBondContact O-N 3.11Å; K199-K201 VanDerWaalsContact C-N 3.25Å; K199-K201 PolarHBondContact O-N 3.43Å
200K38.1Very low51.5Low195 Ų195125.5 Ų125.585%0.84868%0.678SS**  trans-52.997.4-179.1-82.7179.4176174.60106V198 P202V198-K200 PolarHBondContact O-N 2.9Å; K200-P202 WeakPolarHBondContact O-CD 3.39Å
201K30Very low49.3Very low183 Ų183124.7 Ų124.780%0.79669%0.687SS**  trans-65.3120.7158.1-84.6-175.4175.9179.70102.8K199 T203K199-K201 VanDerWaalsContact C-N 3.25Å; K199-K201 PolarHBondContact O-N 3.43Å; K201-T203 PolarHBondContact O-N 3.34Å
202P40.2Very low47.3Very low121 Ų121129.7 Ų129.779%0.78672%0.716SS**  trans-60.5107.5-179.623.4-30.1000107K200 S204K200-P202 WeakPolarHBondContact O-CD 3.39Å; P202-S204 PolarHBondContact O-N 3.26Å; P202-S204 VanDerWaalsContact O-N 3.11Å
203T33.5Very low45.5Very low130 Ų130132.6 Ų132.680%0.79873%0.73SS**  trans-65.9111.3172.8-43.30000106K201 P205K201-T203 PolarHBondContact O-N 3.34Å; T203-P205 WeakPolarHBondContact O-CD 3.39Å
204S28.9Very low43.8Very low99 Ų99130.2 Ų130.269%0.69274%0.739SS**PPolyproline II helixtrans-47119.5173.145.80000110.7P202P202-S204 PolarHBondContact O-N 3.26Å; P202-S204 VanDerWaalsContact O-N 3.11Å
205P37.8Very low42Very low120 Ų120126.3 Ų126.378%0.77974%0.742SS**PPolyproline II helixtrans-78.1123.2168.80.516.1000109.1T203T203-P205 WeakPolarHBondContact O-CD 3.39Å
206T30.7Very low40.7Very low126 Ų126127 Ų12777%0.77375%0.75SS**SBendtrans-63.1130.5162.1-48.30000109
207D28.7Very low39.7Very low141 Ų141125.4 Ų125.475%0.75474%0.742SS**SBendtrans81.3140.1167.4-65.3-27.3000121.1
208P45.5Very low39.5Very low121 Ų121128.1 Ų128.179%0.78675%0.746SS**  trans-104.8103.5-145.735-22.7000110.9
209T31Very low40.1Very low133 Ų133129.2 Ų129.282%0.81675%0.748SS**SBendtrans-135.887.9163-27.10000107.9A211T209-A211 PolarHBondContact O-N 3.26Å
210V32.9Very low40.9Very low143 Ų143124.6 Ų124.687%0.86773%0.731SS**  trans19.676.9164.2-169.30000113.2T212V210-T212 PolarHBondContact O-N 2.94Å
211A34.6Very low41.8Very low91 Ų91118.5 Ų118.575%0.75271%0.706SS**  trans-65.3103-179.900000109.9T209 V213T209-A211 PolarHBondContact O-N 3.26Å; A211-V213 PolarHBondContact O-N 3.03Å
212T36.8Very low43.5Very low141 Ų141114.4 Ų114.487%0.86570%0.7SS**  trans-49.1117.3161.1-0.30000109V210 A214V210-T212 PolarHBondContact O-N 2.94Å; T212-A214 PolarHBondContact O-N 3.28Å
213V42.5Very low45Very low103 Ų103111.9 Ų111.962%0.62470%0.696SS**  trans-53.2126.7-176.9-177.90000110A211 G215A211-V213 PolarHBondContact O-N 3.03Å; V213-G215 VanDerWaalsContact C-N 3.34Å; V213-G215 PolarHBondContact O-N 3.22Å
214A46.5Very low46.9Very low103 Ų103108 Ų10885%0.85167%0.672SS**  trans-6394172.600000109.3T212T212-A214 PolarHBondContact O-N 3.28Å
215G43Very low49.1Very low57 Ų57109.7 Ų109.759%0.58868%0.68SS**PPolyproline II helixtrans-65.7140.3171.900000110.3V213V213-G215 VanDerWaalsContact C-N 3.34Å; V213-G215 PolarHBondContact O-N 3.22Å
216L51.3Low50.9Low83 Ų83109.8 Ų109.844%0.43567%0.669SS.*PPolyproline II helixtrans-53.7155.2162.2-81.1149000109.6R218 L228L216-R218 PolarHBondContact O-N 2.89Å; L216-R218 VanDerWaalsContact O-N 3.13Å; L216-L228 HydrophobicContact CD1-CB 4.33Å
217P52.7Low53Low80 Ų80114.8 Ų114.852%0.51967%0.673SS.*PPolyproline II helixtrans-50.4125.4174-21.831.1000109.4D219 I220P217-D219 PolarHBondContact O-N 3.02Å; P217-I220 HydrophobicContact CG-CD1 4.45Å; P217-I220 PolarHBondContact O-N 3.45Å
218R55.4Low55.2Low217 Ų217111.8 Ų111.882%0.81966%0.657SS**Hα-helixtrans-53.3-23.1-174.2-70.4-179.1179.4168.30.1113.2L216 I220 E221 S222L216-R218 PolarHBondContact O-N 2.89Å; L216-R218 VanDerWaalsContact O-N 3.13Å; R218-I220 VanDerWaalsContact C-N 3.33Å; R218-I220 PolarHBondContact O-N 3.5Å; R218-E221 PolarHBondContact O-N 2.81Å; R218-S222 PolarHBondContact O-N 3.44Å
219D58Low56.8Low137 Ų137107.9 Ų107.973%0.73364%0.635SS**Hα-helixtrans-70.2-23.9-179.4-59.5-29.8000114P217 S222P217-D219 PolarHBondContact O-N 3.02Å; D219-S222 PolarHBondContact O-OG 2.75Å
220I61.2Low59Low92 Ų92104.4 Ų104.447%0.47261%0.611SS.*Hα-helixtrans-83.1-35177.3-56.8176.4000110.4P217 R218 V224 L228P217-I220 HydrophobicContact CG-CD1 4.45Å; P217-I220 PolarHBondContact O-N 3.45Å; R218-I220 VanDerWaalsContact C-N 3.33Å; R218-I220 PolarHBondContact O-N 3.5Å; I220-V224 WeakPolarHBondContact O-CG2 3.39Å; I220-L228 HydrophobicContact CG2-CD1 3.98Å
221E57.3Low61.4Low68 Ų68101.3 Ų101.332%0.31859%0.589SS.*Hα-helixtrans-74.6-26-179.1-66.3-165.1149.800113.3R218 G223 A229R218-E221 PolarHBondContact O-N 2.81Å; E221-G223 VanDerWaalsContact C-N 3.27Å; E221-G223 PolarHBondContact O-N 2.98Å; E221-A229 WeakPolarHBondContact OE1-CB 3.28Å; E221-A229 PolarHBondContact OE1-N 3.3Å
222S66Low63.6Low97 Ų97100.4 Ų100.468%0.67858%0.582SS**THydrogen-bonded Turntrans-73.4-18.1178.657.90000113.5R218 D219R218-S222 PolarHBondContact O-N 3.44Å; D219-S222 PolarHBondContact O-OG 2.75Å
223G71.9Confident65.7Low67 Ų67101.7 Ų101.769%0.69158%0.576SS**THydrogen-bonded Turntrans-91.2-5.6-176.900000115.8E221E221-G223 VanDerWaalsContact C-N 3.27Å; E221-G223 PolarHBondContact O-N 2.98Å
224V72.6Confident67.7Low48 Ų48101 Ų10129%0.29157%0.565SS.*SBendtrans-125.1139.3-177.5-92.10000111.4I220 F226 L228I220-V224 WeakPolarHBondContact O-CG2 3.39Å; V224-F226 HydrophobicContact CB-CD1 4.18Å; V224-F226 HydrophobicContact CB-CE1 3.93Å; V224-F226 HydrophobicContact CB-CZ 4.14Å; V224-F226 HydrophobicContact CG1-CD1 4.46Å; V224-F226 HydrophobicContact CG1-CE1 3.72Å; V224-F226 HydrophobicContact CG1-CZ 3.79Å; V224-F226 PolarHBondContact O-N 2.79Å; V224-F226 VanDerWaalsContact O-N 3.08Å; V224-L228 HydrophobicContact CG2-CD1 3.86Å; V224-L228 HydrophobicContact CG2-CG 4.2Å
225P75.1Confident69.5Low135 Ų135103.1 Ų103.188%0.87755%0.552SS**SBendtrans-72.80.4-178.429.4-33.5000113.6
226F74.8Confident71.4Confident123 Ų123105.3 Ų105.354%0.53955%0.546SS..SBendtrans-128.4149.3-178.457.9-87.9000110.4V224 L228V224-F226 HydrophobicContact CB-CD1 4.18Å; V224-F226 HydrophobicContact CB-CE1 3.93Å; V224-F226 HydrophobicContact CB-CZ 4.14Å; V224-F226 HydrophobicContact CG1-CD1 4.46Å; V224-F226 HydrophobicContact CG1-CE1 3.72Å; V224-F226 HydrophobicContact CG1-CZ 3.79Å; V224-F226 PolarHBondContact O-N 2.79Å; V224-F226 VanDerWaalsContact O-N 3.08Å; F226-L228 HydrophobicContact CD2-CD2 4.15Å; F226-L228 HydrophobicContact CE2-CD2 3.55Å; F226-L228 HydrophobicContact CE2-CG 4.25Å
227R74.8Confident73Confident230 Ų230104 Ų10487%0.86855%0.548SS*.  trans-77.5127.7-179.5-72179.7174.6160.3-1.3110.3
228L75.7Confident74.4Confident79 Ų79108.2 Ų108.241%0.41455%0.553SS.*  trans-89.7-35.1176-70.9170.9000112.1L216 I220 V224 F226L216-L228 HydrophobicContact CD1-CB 4.33Å; I220-L228 HydrophobicContact CG2-CD1 3.98Å; V224-L228 HydrophobicContact CG2-CD1 3.86Å; V224-L228 HydrophobicContact CG2-CG 4.2Å; F226-L228 HydrophobicContact CD2-CD2 4.15Å; F226-L228 HydrophobicContact CE2-CD2 3.55Å; F226-L228 HydrophobicContact CE2-CG 4.25Å
229A78.9Confident75.6Confident38 Ų38101.8 Ų101.831%0.31454%0.541SS..SBendtrans-73.3128.5173.500000111.5E221E221-A229 WeakPolarHBondContact OE1-CB 3.28Å; E221-A229 PolarHBondContact OE1-N 3.3Å
230L77.3Confident76.8Confident61 Ų61101.9 Ų101.932%0.31954%0.536SS..PPolyproline II helixtrans-70.4132.4168.2-65.1172.6000109.3E234L230-E234 WeakPolarHBondContact CA-OE2 3.39Å; L230-E234 HydrophobicContact CB-CB 4.09Å; L230-E234 HydrophobicContact CD2-CB 3.98Å
231N82.5Confident77.7Confident77 Ų77102 Ų10241%0.41254%0.54SS..PPolyproline II helixtrans-70.7166.8171.368.248.6000110.9K233 E234 W235N231-K233 PolarHBondContact O-N 3.15Å; N231-K233 VanDerWaalsContact O-N 3.17Å; N231-K233 WeakPolarHBondContact OD1-CA 3.2Å; N231-K233 WeakPolarHBondContact OD1-CB 3.44Å; N231-K233 PolarHBondContact OD1-N 2.99Å; N231-E234 VanDerWaalsContact CG-CD 3.45Å; N231-E234 PolarHBondContact N-OE2 2.87Å; N231-E234 PolarHBondContact ND2-OE1 3.05Å; N231-E234 PolarHBondContact ND2-OE2 3.34Å; N231-E234 PolarHBondContact O-N 2.81Å; N231-E234 VanDerWaalsContact O-N 3.15Å; N231-E234 WeakPolarHBondContact OD1-CG 3.38Å; N231-E234 PolarHBondContact OD1-N 3.42Å; N231-W235 PolarHBondContact O-N 3.47Å
232A81.1Confident78.5Confident72 Ų72108 Ų10860%0.59557%0.565SS**Hα-helixtrans-56.4-35.8-177.200000113.3W235 E236A232-W235 PolarHBondContact O-N 3.47Å; A232-E236 WeakPolarHBondContact O-CB 3.11Å; A232-E236 PolarHBondContact O-N 3.01Å
233K81.7Confident78.9Confident169 Ų169108.8 Ų108.874%0.73556%0.561SS**Hα-helixtrans-71.3-41179.5-171.9-177.3178.8-176.40111.9N231 W235 E236 A237N231-K233 PolarHBondContact O-N 3.15Å; N231-K233 VanDerWaalsContact O-N 3.17Å; N231-K233 WeakPolarHBondContact OD1-CA 3.2Å; N231-K233 WeakPolarHBondContact OD1-CB 3.44Å; N231-K233 PolarHBondContact OD1-N 2.99Å; K233-W235 VanDerWaalsContact C-N 3.34Å; K233-E236 PolarHBondContact O-N 3.2Å; K233-A237 WeakPolarHBondContact O-CB 3.37Å; K233-A237 PolarHBondContact O-N 2.75Å
234E84.1Confident78.9Confident87 Ų87110.9 Ų110.941%0.40756%0.563SS.*Hα-helixtrans-66.8-37.1174.7-72.8161.7179.300111.5L230 N231 A237 R238L230-E234 WeakPolarHBondContact CA-OE2 3.39Å; L230-E234 HydrophobicContact CB-CB 4.09Å; L230-E234 HydrophobicContact CD2-CB 3.98Å; N231-E234 VanDerWaalsContact CG-CD 3.45Å; N231-E234 PolarHBondContact N-OE2 2.87Å; N231-E234 PolarHBondContact ND2-OE1 3.05Å; N231-E234 PolarHBondContact ND2-OE2 3.34Å; N231-E234 PolarHBondContact O-N 2.81Å; N231-E234 VanDerWaalsContact O-N 3.15Å; N231-E234 WeakPolarHBondContact OD1-CG 3.38Å; N231-E234 PolarHBondContact OD1-N 3.42Å; E234-A237 PolarHBondContact O-N 2.72Å; E234-R238 VanDerWaalsContact O-CB 3.26Å; E234-R238 WeakPolarHBondContact O-CB 3.36Å; E234-R238 PolarHBondContact O-N 2.82Å
235W84.7Confident78.5Confident148 Ų148118.9 Ų118.956%0.56159%0.589SS**Hα-helixtrans-63.6-43.9174.2-123.7102.5000111.8N231 A232 K233 R238 S239N231-W235 PolarHBondContact O-N 3.47Å; A232-W235 PolarHBondContact O-N 3.47Å; K233-W235 VanDerWaalsContact C-N 3.34Å; W235-R238 PolarHBondContact O-N 2.8Å; W235-S239 WeakPolarHBondContact O-CB 3.32Å; W235-S239 PolarHBondContact O-N 2.87Å; W235-S239 PolarHBondContact O-OG 2.97Å
236E83.3Confident77.8Confident103 Ų103119.8 Ų119.848%0.48158%0.579SS.*Hα-helixtrans-66.4-39.1175.2-165.6-170.2171.400112A232 K233 S239 K240A232-E236 WeakPolarHBondContact O-CB 3.11Å; A232-E236 PolarHBondContact O-N 3.01Å; K233-E236 PolarHBondContact O-N 3.2Å; E236-S239 PolarHBondContact O-N 3.2Å; E236-S239 PolarHBondContact O-OG 2.92Å; E236-K240 WeakPolarHBondContact O-CG 3.38Å; E236-K240 PolarHBondContact O-N 2.86Å; E236-K240 WeakPolarHBondContact OE1-CE 3.33Å; E236-K240 IonicContact OE1-NZ 3.93Å; E236-K240 PolarHBondContact OE1-NZ 2.57Å
237A83.3Confident77Confident56 Ų56122.9 Ų122.946%0.46359%0.593SS.*Hα-helixtrans-63-47.3174.300000110.9K233 E234 S239 K240 V241K233-A237 WeakPolarHBondContact O-CB 3.37Å; K233-A237 PolarHBondContact O-N 2.75Å; E234-A237 PolarHBondContact O-N 2.72Å; A237-S239 VanDerWaalsContact C-N 3.35Å; A237-S239 PolarHBondContact O-N 2.82Å; A237-K240 PolarHBondContact O-N 2.75Å; A237-V241 WeakPolarHBondContact O-CG2 3.15Å; A237-V241 PolarHBondContact O-N 3.07Å
238R83Confident76.2Confident169 Ų169118.2 Ų118.264%0.63859%0.585SS**Hα-helixtrans-61.5-40178.2-175.2179.7177.5-1761.3112.2E234 W235 K240 V241E234-R238 VanDerWaalsContact O-CB 3.26Å; E234-R238 WeakPolarHBondContact O-CB 3.36Å; E234-R238 PolarHBondContact O-N 2.82Å; W235-R238 PolarHBondContact O-N 2.8Å; R238-K240 PolarHBondContact O-N 2.88Å; R238-V241 PolarHBondContact O-N 3.13Å
239S80.4Confident75.1Confident81 Ų81119.6 Ų119.657%0.56660%0.601SS**Hα-helixtrans-69.4-24.217970.50000113W235 E236 A237W235-S239 WeakPolarHBondContact O-CB 3.32Å; W235-S239 PolarHBondContact O-N 2.87Å; W235-S239 PolarHBondContact O-OG 2.97Å; E236-S239 PolarHBondContact O-N 3.2Å; E236-S239 PolarHBondContact O-OG 2.92Å; A237-S239 VanDerWaalsContact C-N 3.35Å; A237-S239 PolarHBondContact O-N 2.82Å
240K83.7Confident74.1Confident140 Ų140123.2 Ų123.261%0.60963%0.631SS**Hα-helixtrans-83.9-12.5174.3-70.6173.3-174.5171.50114E236 A237 R238 K242E236-K240 WeakPolarHBondContact O-CG 3.38Å; E236-K240 PolarHBondContact O-N 2.86Å; E236-K240 WeakPolarHBondContact OE1-CE 3.33Å; E236-K240 IonicContact OE1-NZ 3.93Å; E236-K240 PolarHBondContact OE1-NZ 2.57Å; A237-K240 PolarHBondContact O-N 2.75Å; R238-K240 PolarHBondContact O-N 2.88Å; K240-K242 PolarHBondContact O-N 3.09Å
241V79.6Confident73Confident95 Ų95129 Ų12958%0.57666%0.656SS**  trans-65.7107.6176.8179.30000109.1A237 R238 L243A237-V241 WeakPolarHBondContact O-CG2 3.15Å; A237-V241 PolarHBondContact O-N 3.07Å; R238-V241 PolarHBondContact O-N 3.13Å; V241-L243 PolarHBondContact O-N 3.19Å
242K74.8Confident71.7Confident193 Ų193131.3 Ų131.384%0.83968%0.678SS**  trans-72.3117170.3-71.5-175.4178.3-178.20108.5K240K240-K242 PolarHBondContact O-N 3.09Å
243L74.8Confident70.7Confident113 Ų113130.5 Ų130.559%0.59268%0.677SS**  trans-74.5135.6173.2-64.5174.5000109.1V241 Y245 K246V241-L243 PolarHBondContact O-N 3.19Å; L243-Y245 PolarHBondContact O-N 2.79Å; L243-K246 HydrophobicContact CB-CB 4.23Å; L243-K246 PolarHBondContact O-N 3.41Å; L243-K246 VanDerWaalsContact O-N 3.16Å
244P70.3Confident69.5Low112 Ų112130 Ų13073%0.72768%0.675SS**THydrogen-bonded Turntrans-54.6-27.2-172.7-24.631.2000114.5
245Y64.2Low68.6Low216 Ų216132.3 Ų132.385%0.84770%0.695SS**THydrogen-bonded Turntrans-113.59.7-172.7-51.7-70.9000114.5L243 K247L243-Y245 PolarHBondContact O-N 2.79Å; Y245-K247 PolarHBondContact O-N 2.77Å
246K60.7Low67.6Low153 Ų153134.1 Ų134.167%0.66570%0.703SS**  trans-86.390.7175.7-161.8178.6-178-169.10109.2L243 D248L243-K246 HydrophobicContact CB-CB 4.23Å; L243-K246 PolarHBondContact O-N 3.41Å; L243-K246 VanDerWaalsContact O-N 3.16Å; K246-D248 PolarHBondContact O-N 3.38Å
247K59.2Low66.9Low189 Ų189137.8 Ų137.882%0.82271%0.713SS**  trans-71.9114.8168.2-71.6-174.9177.71780108.8Y245Y245-K247 PolarHBondContact O-N 2.77Å
248D56.3Low65.9Low132 Ų132140.5 Ų140.571%0.70672%0.724SS**  trans-67.6138.5165.3-69.6-39.7000108.2K246K246-D248 PolarHBondContact O-N 3.38Å
249S53.3Low64.9Low107 Ų107135.4 Ų135.475%0.74872%0.718SS**SBendtrans91.7110.7172.272.90000119.7Q251S249-Q251 VanDerWaalsContact C-N 3.27Å; S249-Q251 PolarHBondContact O-N 3.07Å
250A59Low64.3Low114 Ų114137.5 Ų137.594%0.94272%0.723SS**SBendtrans27.7-0.6143.300000124.6
251Q54.1Low63.5Low183 Ų183135.3 Ų135.386%0.85573%0.731SS**SBendtrans-107.6128174.1-73.9179.7-14.600109.6S249 G253S249-Q251 VanDerWaalsContact C-N 3.27Å; S249-Q251 PolarHBondContact O-N 3.07Å; Q251-G253 VanDerWaalsContact C-N 3.27Å; Q251-G253 PolarHBondContact O-N 3.14Å
252S54.9Low62.6Low125 Ų125137.7 Ų137.787%0.87474%0.741SS**  trans-58.584.7178.244.40000110.9K254S252-K254 PolarHBondContact O-N 2.98Å; S252-K254 VanDerWaalsContact O-N 3.1Å
253G58.6Low62Low55 Ų55132.8 Ų132.857%0.56772%0.724SS**  trans-71.5103.417900000110.2Q251 V255Q251-G253 VanDerWaalsContact C-N 3.27Å; Q251-G253 PolarHBondContact O-N 3.14Å; G253-V255 PolarHBondContact O-N 3.3Å
254K57.9Low61.1Low158 Ų158133.5 Ų133.569%0.68773%0.728SS**  trans-57124.8161.5-75.4178176.2179.90108.1S252 Y256S252-K254 PolarHBondContact O-N 2.98Å; S252-K254 VanDerWaalsContact O-N 3.1Å; K254-Y256 HydrophobicContact CB-CD2 4.33Å; K254-Y256 HydrophobicContact CB-CE2 3.7Å; K254-Y256 WeakPolarHBondContact CD-OH 3.43Å; K254-Y256 WeakPolarHBondContact O-CD2 3.31Å; K254-Y256 PolarHBondContact O-N 3.09Å
255V65.1Low60.7Low136 Ų136134 Ų13482%0.82473%0.729SS**  trans-75.3109.5172.4-1790000106.4G253G253-V255 PolarHBondContact O-N 3.3Å
256Y64.1Low60.5Low187 Ų187129.4 Ų129.473%0.73372%0.719SS**  trans-94.1106168.8-63.3-80.2000106.7K254K254-Y256 HydrophobicContact CB-CD2 4.33Å; K254-Y256 HydrophobicContact CB-CE2 3.7Å; K254-Y256 WeakPolarHBondContact CD-OH 3.43Å; K254-Y256 WeakPolarHBondContact O-CD2 3.31Å; K254-Y256 PolarHBondContact O-N 3.09Å
257Y67.4Low60.4Low179 Ų179129.5 Ų129.570%0.70273%0.727SS**  trans-79117.1166.9-171.3-94.6000106.8A259 D263Y257-A259 HydrophobicContact CE1-CB 3.94Å; Y257-D263 PolarHBondContact OH-OD2 3.37Å; Y257-D263 VanDerWaalsContact OH-OD2 3.1Å
258V62.6Low60.2Low114 Ų114127.7 Ų127.769%0.69172%0.721SS**  trans-105114.9165-179.70000103.7D260V258-D260 PolarHBondContact O-N 2.85Å
259A62.2Low60.7Low62 Ų62125.9 Ų125.951%0.51271%0.712SS.*  trans-62.1125.9169.400000107Y257Y257-A259 HydrophobicContact CE1-CB 3.94Å
260D68.2Low61.2Low124 Ų124126.5 Ų126.566%0.66371%0.713SS**  trans-66.8143.9173.1-78.6-28.9000108.1V258 D262 D263V258-D260 PolarHBondContact O-N 2.85Å; D260-D262 PolarHBondContact O-N 2.79Å; D260-D262 VanDerWaalsContact O-N 3.16Å; D260-D263 HydrophobicContact CB-CB 4.43Å; D260-D263 WeakPolarHBondContact O-CB 3.48Å; D260-D263 PolarHBondContact O-N 3.39Å
261A65.8Low61.7Low95 Ų95125.1 Ų125.179%0.78569%0.69SS**THydrogen-bonded Turntrans-65-17.3-178.900000112.8
262D60.7Low62.3Low144 Ų144123.7 Ų123.777%0.7768%0.683SS**THydrogen-bonded Turntrans-103.112.1175.6-47.1-41.6000111.5D260 D264D260-D262 PolarHBondContact O-N 2.79Å; D260-D262 VanDerWaalsContact O-N 3.16Å; D262-D264 PolarHBondContact O-N 3.12Å
263D62.5Low63Low91 Ų91125 Ų12549%0.48768%0.68SS.*  trans-76.647.5163-150.119.1000107.9Y257 D260 V265Y257-D263 PolarHBondContact OH-OD2 3.37Å; Y257-D263 VanDerWaalsContact OH-OD2 3.1Å; D260-D263 HydrophobicContact CB-CB 4.43Å; D260-D263 WeakPolarHBondContact O-CB 3.48Å; D260-D263 PolarHBondContact O-N 3.39Å; D263-V265 PolarHBondContact O-N 3.04Å
264D57Low63.3Low128 Ų128128.7 Ų128.768%0.68469%0.686SS**  trans-58.999.2163.3-69-26.4000103.5D262 D266D262-D264 PolarHBondContact O-N 3.12Å; D264-D266 PolarHBondContact O-N 3.45Å
265V60.6Low63.5Low121 Ų121127.7 Ų127.773%0.73369%0.693SS**  trans-46.6107156.4174.50000103.7D263 D267D263-V265 PolarHBondContact O-N 3.04Å; V265-D267 VanDerWaalsContact C-N 3.35Å; V265-D267 PolarHBondContact O-N 3.17Å
266D59.5Low63.5Low121 Ų121132.1 Ų132.165%0.64771%0.71SS**  trans-44.7103.3-177.5-158.9-5.7000107.3D264 E268D264-D266 PolarHBondContact O-N 3.45Å; D266-E268 PolarHBondContact O-N 3.13Å; D266-E268 VanDerWaalsContact O-N 3.15Å
267D59.5Low63.5Low154 Ų154129.4 Ų129.482%0.82471%0.709SS**  trans-72.63.4-178.7-91.6-21.3000109.8V265 D269V265-D267 VanDerWaalsContact C-N 3.35Å; V265-D267 PolarHBondContact O-N 3.17Å; D267-D269 PolarHBondContact O-N 3.49Å
268E55.2Low63.3Low152 Ų152126.8 Ų126.871%0.7171%0.709SS**  trans-68.879.3160.9-77-174.4177.200109.2D266 P270D266-E268 PolarHBondContact O-N 3.13Å; D266-E268 VanDerWaalsContact O-N 3.15Å; E268-P270 WeakPolarHBondContact O-CD 3.17Å
269D66Low63.3Low94 Ų94127.5 Ų127.550%0.50371%0.71SS.*  trans-53.5118.6165-151.6-16000107.7D267 D271 E272D267-D269 PolarHBondContact O-N 3.49Å; D269-D271 VanDerWaalsContact CB-OD1 3.26Å; D269-D271 WeakPolarHBondContact CB-OD1 3.18Å; D269-D271 PolarHBondContact O-N 3.13Å; D269-E272 HydrophobicContact CB-CG 4.43Å; D269-E272 PolarHBondContact O-N 2.93Å; D269-E272 VanDerWaalsContact O-N 3.08Å
270P64.1Low63.4Low120 Ų120131.4 Ų131.478%0.77972%0.722SS**THydrogen-bonded Turntrans-66.90.5-175.126.4-36.1000113.4E268E268-P270 WeakPolarHBondContact O-CD 3.17Å
271D70.1Confident63.1Low84 Ų84131.8 Ų131.845%0.44973%0.725SS.*THydrogen-bonded Turntrans-95.2-5.8174.769.6-6.7000114.2D269 D273 L274D269-D271 VanDerWaalsContact CB-OD1 3.26Å; D269-D271 WeakPolarHBondContact CB-OD1 3.18Å; D269-D271 PolarHBondContact O-N 3.13Å; D271-D273 PolarHBondContact O-N 2.93Å; D271-L274 HydrophobicContact CB-CD1 4.01Å; D271-L274 WeakPolarHBondContact O-CB 3.11Å; D271-L274 PolarHBondContact O-N 3.24Å
272E66.3Low62.9Low154 Ų154134.3 Ų134.372%0.7272%0.721SS**THydrogen-bonded Turntrans-62.9-27.5177.3-76.1-156.3152.700113D269D269-E272 HydrophobicContact CB-CG 4.43Å; D269-E272 PolarHBondContact O-N 2.93Å; D269-E272 VanDerWaalsContact O-N 3.08Å
273D69.4Low63.1Low152 Ų152133.6 Ų133.681%0.81372%0.718SS**THydrogen-bonded Turntrans-88.3-1.2176.6-73.5-9000113.7D271 V275D271-D273 PolarHBondContact O-N 2.93Å; D273-V275 PolarHBondContact O-N 3.23Å
274L65.5Low63.1Low132 Ų132136.8 Ų136.869%0.69174%0.736SS**  trans-76.475.2174.2-81.2163.9000110.1D271 I276D271-L274 HydrophobicContact CB-CD1 4.01Å; D271-L274 WeakPolarHBondContact O-CB 3.11Å; D271-L274 PolarHBondContact O-N 3.24Å; L274-I276 PolarHBondContact O-N 3.3Å; L274-I276 VanDerWaalsContact O-N 3.13Å
275V62.8Low63.6Low137 Ų137137.6 Ų137.683%0.8374%0.74SS**  trans-64.7111.8166.2-170.40000108.3D273D273-V275 PolarHBondContact O-N 3.23Å
276I64.9Low63.9Low230 Ų230139.1 Ų139.1100%1.17974%0.74SS**  trans-680171.6-60.5170.1000110.4L274L274-I276 PolarHBondContact O-N 3.3Å; L274-I276 VanDerWaalsContact O-N 3.13Å

Retrieved 276 of 276 residues in 803.2 ms (Link to these results)

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