A0A3B3VPR6_9TELE Loading...

Calbindin 2

AlphaFold DB , UniProt , Accession A0A3B3VPR6, Species 9TELE (Poecilia latipinna, sailfin molly), Gene n/a, Length 271 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
1M33Very low33.8Very low251 Ų251131.6 Ų131.6100%1.23672%0.717SS**  0980-70.9-172.4169.800106.5
2A29.4Very low34.4Very low97 Ų97132 Ų13280%0.80271%0.71SS**  trans-109118.3179.200000106.7Q4A2-Q4 PolarHBondContact O-N 3Å
3T29.2Very low34.9Very low144 Ų144130.3 Ų130.388%0.88370%0.699SS**  trans-56.9116174.635.90000109.6A5T3-A5 PolarHBondContact O-N 3.08Å
4Q28.4Very low35Very low188 Ų188125.6 Ų125.688%0.87969%0.688SS**  trans-61.4120.5168.8-82.5170.8-26.500108.3A2 E6A2-Q4 PolarHBondContact O-N 3Å; Q4-E6 PolarHBondContact O-N 3.36Å
5A30.8Very low36Very low91 Ų91126.5 Ų126.575%0.75269%0.685SS**  trans-68.7117162.200000107T3 Q7T3-A5 PolarHBondContact O-N 3.08Å; A5-Q7 PolarHBondContact O-N 3.23Å
6E30.3Very low37Very low193 Ų193119.9 Ų119.990%0.90265%0.649SS**  trans-60.3108.7170.3-75.9171.7138.600108Q4 L8Q4-E6 PolarHBondContact O-N 3.36Å; E6-L8 PolarHBondContact O-N 2.76Å
7Q30.6Very low38.1Very low170 Ų170116.8 Ų116.879%0.79464%0.635SS**  trans-73.3118.9173.1-72.3-175.5-57.100108.3A5A5-Q7 PolarHBondContact O-N 3.23Å
8L37.5Very low39.3Very low85 Ų85110.6 Ų110.645%0.44560%0.602SS.*  trans-55141.3170.9-82.1133.9000110.7E6 H10E6-L8 PolarHBondContact O-N 2.76Å; L8-H10 PolarHBondContact O-N 2.81Å
9P40.5Very low40.4Very low65 Ų65106.4 Ų106.442%0.42258%0.584SS.*  trans-63.4110.9177.324.8-29.8000109L11P9-L11 PolarHBondContact O-N 2.87Å
10H42.2Very low41.7Very low147 Ų147104.8 Ų104.868%0.68157%0.572SS**  trans-49.8122.8177.3-74.3-86.5000110.8L8 H12L8-H10 PolarHBondContact O-N 2.81Å; H10-H12 PolarHBondContact O-N 3.2Å
11L40.6Very low42.9Very low17 Ų17100.1 Ų100.19%0.08955%0.546CS..  trans-64.344.6168.6-87.2155.4000112.2P9 L13 L16 I24 E47 L48 A51P9-L11 PolarHBondContact O-N 2.87Å; L11-L13 PolarHBondContact O-N 3.26Å; L11-L16 HydrophobicContact CD2-CD1 4.47Å; L11-I24 HydrophobicContact CD2-CD1 3.71Å; L11-I24 HydrophobicContact CD2-CG1 4.47Å; L11-I24 HydrophobicContact CD2-CG2 4.48Å; L11-I24 HydrophobicContact CG-CD1 4.23Å; L11-E47 HydrophobicContact CD1-CG 4.08Å; L11-L48 HydrophobicContact CD2-CD1 4.27Å; L11-A51 HydrophobicContact CB-CB 3.31Å; L11-A51 HydrophobicContact CD1-CB 4.47Å; L11-A51 WeakPolarHBondContact O-CB 3.39Å
12H39.9Very low44.5Very low136 Ų13688.3 Ų88.363%0.6349%0.488SS*.  trans-63.8130.9166.9-114.1-134.2000107.2H10 A14H10-H12 PolarHBondContact O-N 3.2Å; H12-A14 PolarHBondContact O-N 3.38Å
13L40.9Very low46.5Very low110 Ų11087.9 Ų87.958%0.57647%0.472SS*.SBendtrans-62.828.1173.2-111.193.8000113.5L11 R52L11-L13 PolarHBondContact O-N 3.26Å; L13-R52 HydrophobicContact CD1-CG 4.01Å
14A37.4Very low48.5Very low65 Ų6581.5 Ų81.554%0.53743%0.432SS..SBendtrans-87.8126.7166.800000107.7H12 L16H12-A14 PolarHBondContact O-N 3.38Å; A14-L16 PolarHBondContact O-N 3.39Å
15E49.5Very low50.7Low139 Ų13973.1 Ų73.165%0.6539%0.393SS*.  trans-1.184.1166.9-68159.4-160.800114.3T17 E95E15-T17 PolarHBondContact O-N 2.81Å; E15-E95 HydrophobicContact CG-CG 4.38Å
16L51.9Low52.7Low21 Ų2174.2 Ų74.211%0.1138%0.38CS..  trans-74122.2176.9-80.2160.2000108.3L11 A14 Q20 I24 L92L11-L16 HydrophobicContact CD2-CD1 4.47Å; A14-L16 PolarHBondContact O-N 3.39Å; L16-Q20 HydrophobicContact CD2-CB 3.82Å; L16-I24 HydrophobicContact CD1-CD1 4.16Å; L16-I24 HydrophobicContact CD2-CD1 3.84Å; L16-L92 HydrophobicContact CD1-CD1 4.32Å; L16-L92 HydrophobicContact CD1-CD2 4.34Å
17T56.6Low55.1Low67 Ų6769 Ų6941%0.41136%0.356SS..  trans-68.7157.3171.262.20000110.5E15 A19 Q20 F21E15-T17 PolarHBondContact O-N 2.81Å; T17-A19 PolarHBondContact O-N 2.83Å; T17-Q20 PolarHBondContact O-N 3.47Å; T17-Q20 VanDerWaalsContact O-N 3.11Å; T17-Q20 WeakPolarHBondContact OG1-CG 3.36Å; T17-Q20 PolarHBondContact OG1-N 3.07Å; T17-Q20 PolarHBondContact OG1-OE1 3.42Å; T17-F21 PolarHBondContact O-N 2.81Å
18A58.6Low57.3Low5 Ų561.4 Ų61.44%0.04132%0.32CS..Hα-helixtrans-57.1-32.717600000112.6F21 I22 F98 T158 M162A18-F21 WeakPolarHBondContact O-CB 3.44Å; A18-F21 PolarHBondContact O-N 2.87Å; A18-I22 VanDerWaalsContact O-CG1 3.26Å; A18-I22 WeakPolarHBondContact O-CG1 3.07Å; A18-I22 PolarHBondContact O-N 3.3Å; A18-F98 HydrophobicContact CB-CE1 3.68Å; A18-F98 HydrophobicContact CB-CZ 4.36Å; A18-T158 HydrophobicContact CB-CG2 3.51Å; A18-M162 HydrophobicContact CB-CE 4.45Å
19A60.4Low59.3Low30 Ų3058 Ų5825%0.24830%0.302CS..Hα-helixtrans-66.5-45.4175.300000112.7T17 F21 I22 D23T17-A19 PolarHBondContact O-N 2.83Å; A19-F21 VanDerWaalsContact C-N 3.26Å; A19-F21 PolarHBondContact O-N 2.79Å; A19-I22 WeakPolarHBondContact O-CB 3.26Å; A19-I22 PolarHBondContact O-N 2.99Å; A19-I22 VanDerWaalsContact O-N 3.13Å; A19-D23 PolarHBondContact O-N 3.18Å
20Q65.6Low60.9Low74 Ų7460.2 Ų60.235%0.34632%0.315SS..Hα-helixtrans-65.5-33.6176.9-70.1165.1-54.200111.7L16 T17 I22 D23 I24L16-Q20 HydrophobicContact CD2-CB 3.82Å; T17-Q20 PolarHBondContact O-N 3.47Å; T17-Q20 VanDerWaalsContact O-N 3.11Å; T17-Q20 WeakPolarHBondContact OG1-CG 3.36Å; T17-Q20 PolarHBondContact OG1-N 3.07Å; T17-Q20 PolarHBondContact OG1-OE1 3.42Å; Q20-I22 VanDerWaalsContact C-N 3.31Å; Q20-I22 PolarHBondContact O-N 3.46Å; Q20-D23 PolarHBondContact O-N 3.19Å; Q20-I24 WeakPolarHBondContact O-CD1 3.48Å; Q20-I24 VanDerWaalsContact O-CG1 3.3Å; Q20-I24 WeakPolarHBondContact O-CG1 3.3Å; Q20-I24 PolarHBondContact O-N 2.97Å; Q20-I24 VanDerWaalsContact O-N 3.1Å
21F67.9Low62.5Low7 Ų757.9 Ų57.93%0.03131%0.308CS..Hα-helixtrans-60.8-40172.3174.1-122.4000112.5T17 A18 A19 I24 W25 M85 L88 V89 L92 M162T17-F21 PolarHBondContact O-N 2.81Å; A18-F21 WeakPolarHBondContact O-CB 3.44Å; A18-F21 PolarHBondContact O-N 2.87Å; A19-F21 VanDerWaalsContact C-N 3.26Å; A19-F21 PolarHBondContact O-N 2.79Å; F21-I24 WeakPolarHBondContact O-CB 3.12Å; F21-I24 PolarHBondContact O-N 2.87Å; F21-W25 PolarHBondContact O-N 3.48Å; F21-M85 HydrophobicContact CD1-CE 4.32Å; F21-M85 HydrophobicContact CD1-SD 4.49Å; F21-M85 HydrophobicContact CE1-CE 3.68Å; F21-M85 HydrophobicContact CE1-SD 3.37Å; F21-M85 WeakPolarHBondContact CE1-SD 3.33Å; F21-M85 HydrophobicContact CZ-CE 4.34Å; F21-M85 HydrophobicContact CZ-SD 3.53Å; F21-M85 VanDerWaalsContact CZ-SD 3.53Å; F21-L88 HydrophobicContact CE2-CB 4.41Å; F21-L88 HydrophobicContact CE2-CD2 3.51Å; F21-L88 HydrophobicContact CE2-CG 3.84Å; F21-L88 HydrophobicContact CZ-CB 4.15Å; F21-L88 HydrophobicContact CZ-CD2 3.86Å; F21-L88 HydrophobicContact CZ-CG 4.09Å; F21-V89 HydrophobicContact CE1-CG2 3.83Å; F21-V89 HydrophobicContact CZ-CG2 4Å; F21-L92 HydrophobicContact CD2-CD1 3.03Å; F21-L92 HydrophobicContact CD2-CG 4.33Å; F21-L92 HydrophobicContact CE2-CD1 3.28Å; F21-L92 HydrophobicContact CE2-CG 4.23Å; F21-L92 HydrophobicContact CG-CD1 4.06Å; F21-L92 HydrophobicContact CZ-CD1 4.5Å; F21-M162 HydrophobicContact CD1-CE 3.67Å; F21-M162 HydrophobicContact CE1-CE 4.26Å
22I66Low63.9Low3 Ų358.9 Ų58.92%0.01532%0.322CS..Hα-helixtrans-63.1-45.6176.7-63.2167.6000110.9A18 A19 Q20 I24 W25 K26 T158 R161 M162A18-I22 VanDerWaalsContact O-CG1 3.26Å; A18-I22 WeakPolarHBondContact O-CG1 3.07Å; A18-I22 PolarHBondContact O-N 3.3Å; A19-I22 WeakPolarHBondContact O-CB 3.26Å; A19-I22 PolarHBondContact O-N 2.99Å; A19-I22 VanDerWaalsContact O-N 3.13Å; Q20-I22 VanDerWaalsContact C-N 3.31Å; Q20-I22 PolarHBondContact O-N 3.46Å; I22-I24 PolarHBondContact O-N 3.38Å; I22-W25 WeakPolarHBondContact O-CB 3.32Å; I22-W25 PolarHBondContact O-N 3.34Å; I22-W25 VanDerWaalsContact O-N 3.12Å; I22-K26 HydrophobicContact CG2-CD 3.97Å; I22-K26 HydrophobicContact CG2-CG 4.12Å; I22-K26 WeakPolarHBondContact O-CG 3.31Å; I22-K26 PolarHBondContact O-N 2.97Å; I22-T158 HydrophobicContact CD1-CG2 3.66Å; I22-T158 WeakPolarHBondContact CD1-O 3.4Å; I22-R161 HydrophobicContact CD1-CB 4.03Å; I22-M162 HydrophobicContact CD1-CE 3.68Å; I22-M162 HydrophobicContact CD1-CG 3.49Å; I22-M162 VanDerWaalsContact CD1-CG 3.49Å; I22-M162 HydrophobicContact CD1-SD 4.28Å; I22-M162 HydrophobicContact CG1-CE 3.24Å; I22-M162 HydrophobicContact CG1-CG 3.34Å; I22-M162 HydrophobicContact CG1-SD 4.12Å
23D71.2Confident65.3Low89 Ų8954.1 Ų54.148%0.47630%0.301SS..Hα-helixtrans-62.3-37-178.2-64.5-23.8000110.4A19 Q20 H27A19-D23 PolarHBondContact O-N 3.18Å; Q20-D23 PolarHBondContact O-N 3.19Å; D23-H27 VanDerWaalsContact O-CB 3.29Å; D23-H27 WeakPolarHBondContact O-CB 3.17Å; D23-H27 PolarHBondContact O-N 3.41Å; D23-H27 VanDerWaalsContact O-N 3.11Å
24I72.1Confident66.7Low9 Ų949.4 Ų49.45%0.04628%0.279CS..Hα-helixtrans-64.5-51.9171.1-67.5162.8000110.2L11 L16 Q20 F21 I22 K26 H27 F28 F44L11-I24 HydrophobicContact CD2-CD1 3.71Å; L11-I24 HydrophobicContact CD2-CG1 4.47Å; L11-I24 HydrophobicContact CD2-CG2 4.48Å; L11-I24 HydrophobicContact CG-CD1 4.23Å; L16-I24 HydrophobicContact CD1-CD1 4.16Å; L16-I24 HydrophobicContact CD2-CD1 3.84Å; Q20-I24 WeakPolarHBondContact O-CD1 3.48Å; Q20-I24 VanDerWaalsContact O-CG1 3.3Å; Q20-I24 WeakPolarHBondContact O-CG1 3.3Å; Q20-I24 PolarHBondContact O-N 2.97Å; Q20-I24 VanDerWaalsContact O-N 3.1Å; F21-I24 WeakPolarHBondContact O-CB 3.12Å; F21-I24 PolarHBondContact O-N 2.87Å; I22-I24 PolarHBondContact O-N 3.38Å; I24-K26 PolarHBondContact O-N 3.45Å; I24-H27 WeakPolarHBondContact O-CB 3.42Å; I24-H27 PolarHBondContact O-N 3.27Å; I24-H27 VanDerWaalsContact O-N 3.11Å; I24-F28 HydrophobicContact CG2-CD2 3.95Å; I24-F28 HydrophobicContact CG2-CE2 3.86Å; I24-F28 WeakPolarHBondContact O-CD2 3.03Å; I24-F28 PolarHBondContact O-N 3.08Å; I24-F44 HydrophobicContact CG2-CE2 4.16Å
25W73.4Confident68.6Low13 Ų1348 Ų485%0.04926%0.26CS..Hα-helixtrans-53.4-54.4179.4177.6-85.5000111.9F21 I22 H27 F28 D29 G34 I36 M85 L88F21-W25 PolarHBondContact O-N 3.48Å; I22-W25 WeakPolarHBondContact O-CB 3.32Å; I22-W25 PolarHBondContact O-N 3.34Å; I22-W25 VanDerWaalsContact O-N 3.12Å; W25-H27 PolarHBondContact O-N 2.95Å; W25-F28 PolarHBondContact O-N 3.34Å; W25-D29 HydrophobicContact CZ2-CB 4.38Å; W25-D29 PolarHBondContact NE1-OD2 3.48Å; W25-D29 WeakPolarHBondContact O-CB 3.47Å; W25-D29 PolarHBondContact O-N 2.89Å; W25-G34 VanDerWaalsContact CZ2-C 3.48Å; W25-G34 WeakPolarHBondContact CZ2-O 3.42Å; W25-I36 HydrophobicContact CD2-CD1 4.43Å; W25-I36 HydrophobicContact CE3-CD1 3.78Å; W25-I36 HydrophobicContact CE3-CG1 4.28Å; W25-I36 HydrophobicContact CH2-CD1 4.22Å; W25-I36 HydrophobicContact CH2-CG1 3.91Å; W25-I36 HydrophobicContact CZ2-CG1 4.35Å; W25-I36 HydrophobicContact CZ3-CD1 3.65Å; W25-I36 HydrophobicContact CZ3-CG1 3.88Å; W25-M85 HydrophobicContact CB-CE 4.14Å; W25-M85 HydrophobicContact CD2-CE 3.98Å; W25-M85 HydrophobicContact CD2-SD 3.56Å; W25-M85 VanDerWaalsContact CD2-SD 3.56Å; W25-M85 HydrophobicContact CE3-CB 4.42Å; W25-M85 HydrophobicContact CE3-CE 4.36Å; W25-M85 HydrophobicContact CE3-SD 3.38Å; W25-M85 HydrophobicContact CG-CE 3.83Å; W25-M85 HydrophobicContact CG-SD 4.04Å; W25-M85 HydrophobicContact CH2-CB 3.94Å; W25-M85 HydrophobicContact CZ2-CB 4.18Å; W25-M85 HydrophobicContact CZ3-CB 4.06Å; W25-M85 HydrophobicContact CZ3-SD 3.92Å; W25-L88 HydrophobicContact CE3-CB 4.33Å; W25-L88 HydrophobicContact CE3-CD2 3.39Å; W25-L88 HydrophobicContact CE3-CG 4.47Å; W25-L88 HydrophobicContact CZ3-CB 3.93Å; W25-L88 HydrophobicContact CZ3-CD2 3.68Å; W25-L88 HydrophobicContact CZ3-CG 4.4Å
26K73.8Confident70Confident113 Ų11341.3 Ų41.349%0.49123%0.229SC..Hα-helixtrans-64.5-24.2-179.4-69.8-170.3178.6-170.70113.2I22 I24 F28 R161I22-K26 HydrophobicContact CG2-CD 3.97Å; I22-K26 HydrophobicContact CG2-CG 4.12Å; I22-K26 WeakPolarHBondContact O-CG 3.31Å; I22-K26 PolarHBondContact O-N 2.97Å; I24-K26 PolarHBondContact O-N 3.45Å; K26-F28 VanDerWaalsContact C-N 3.33Å; K26-R161 WeakPolarHBondContact CE-O 3.18Å; K26-R161 PolarHBondContact NZ-O 2.85Å
27H79.9Confident71.4Confident85 Ų8542.8 Ų42.839%0.39424%0.235SC..Hα-helixtrans-69.6-35174.2-173.465.4000111.9D23 I24 W25D23-H27 VanDerWaalsContact O-CB 3.29Å; D23-H27 WeakPolarHBondContact O-CB 3.17Å; D23-H27 PolarHBondContact O-N 3.41Å; D23-H27 VanDerWaalsContact O-N 3.11Å; I24-H27 WeakPolarHBondContact O-CB 3.42Å; I24-H27 PolarHBondContact O-N 3.27Å; I24-H27 VanDerWaalsContact O-N 3.11Å; W25-H27 PolarHBondContact O-N 2.95Å
28F76.9Confident72.5Confident9 Ų942 Ų424%0.03924%0.241CC..Hα-helixtrans-95.6-37.4-176-67.2-70.2000113.5I24 W25 K26 T30 I36 E40 F44 E47I24-F28 HydrophobicContact CG2-CD2 3.95Å; I24-F28 HydrophobicContact CG2-CE2 3.86Å; I24-F28 WeakPolarHBondContact O-CD2 3.03Å; I24-F28 PolarHBondContact O-N 3.08Å; W25-F28 PolarHBondContact O-N 3.34Å; K26-F28 VanDerWaalsContact C-N 3.33Å; F28-T30 PolarHBondContact O-N 3.12Å; F28-T30 PolarHBondContact O-OG1 2.97Å; F28-I36 HydrophobicContact CB-CD1 4.02Å; F28-I36 HydrophobicContact CB-CG1 4.37Å; F28-E40 VanDerWaalsContact O-CB 3.26Å; F28-E40 WeakPolarHBondContact O-CB 3.37Å; F28-E40 VanDerWaalsContact O-CD 3.28Å; F28-E40 WeakPolarHBondContact O-CG 3.35Å; F28-F44 HydrophobicContact CB-CB 4.33Å; F28-F44 HydrophobicContact CD1-CB 3.75Å; F28-F44 HydrophobicContact CD1-CD2 4.38Å; F28-F44 HydrophobicContact CD2-CB 4.33Å; F28-F44 AromaticContact CD2-CD2 3.47Å; F28-F44 HydrophobicContact CD2-CD2 3.47Å; F28-F44 VanDerWaalsContact CD2-CD2 3.47Å; F28-F44 HydrophobicContact CD2-CE2 4.27Å; F28-F44 HydrophobicContact CD2-CG 4.37Å; F28-F44 HydrophobicContact CE1-CB 4.13Å; F28-F44 AromaticContact CE2-CD2 3.67Å; F28-F44 HydrophobicContact CE2-CD2 3.67Å; F28-F44 HydrophobicContact CE2-CE2 4.37Å; F28-F44 HydrophobicContact CG-CB 3.86Å; F28-F44 AromaticContact CG-CD2 3.86Å; F28-F44 HydrophobicContact CG-CD2 3.86Å; F28-F44 HydrophobicContact CG-CG 4.35Å; F28-F44 HydrophobicContact CZ-CD2 4.21Å; F28-E47 HydrophobicContact CE1-CB 4.28Å; F28-E47 WeakPolarHBondContact CE1-OE2 3.36Å; F28-E47 HydrophobicContact CZ-CB 3.88Å; F28-E47 HydrophobicContact CZ-CG 4.15Å; F28-E47 VanDerWaalsContact CZ-OE2 3.28Å; F28-E47 WeakPolarHBondContact CZ-OE2 3.38Å
29D79.3Confident73.5Confident13 Ų1350.1 Ų50.17%0.0728%0.275CS..  trans-74.273.9170.4-178.513.1000109.5W25 G32 N33 G34W25-D29 HydrophobicContact CZ2-CB 4.38Å; W25-D29 PolarHBondContact NE1-OD2 3.48Å; W25-D29 WeakPolarHBondContact O-CB 3.47Å; W25-D29 PolarHBondContact O-N 2.89Å; D29-G32 PolarHBondContact O-N 2.83Å; D29-G32 VanDerWaalsContact OD1-C 3.3Å; D29-G32 WeakPolarHBondContact OD1-CA 3.19Å; D29-G32 PolarHBondContact OD1-N 3.03Å; D29-G32 VanDerWaalsContact OD1-N 3.09Å; D29-N33 PolarHBondContact OD1-N 3.23Å; D29-G34 PolarHBondContact OD1-N 2.92Å; D29-G34 VanDerWaalsContact OD2-CA 3.28Å; D29-G34 WeakPolarHBondContact OD2-CA 3.46Å; D29-G34 PolarHBondContact OD2-N 3.49Å; D29-G34 VanDerWaalsContact OD2-N 3.12Å
30T75.8Confident74.6Confident112 Ų11249.8 Ų49.869%0.68727%0.268SS*.SBendtrans-75.2-32.6-168.8-54.60000111.2F28 G32 E40F28-T30 PolarHBondContact O-N 3.12Å; F28-T30 PolarHBondContact O-OG1 2.97Å; T30-G32 VanDerWaalsContact C-N 3.33Å; T30-E40 WeakPolarHBondContact CB-OE1 3.23Å; T30-E40 PolarHBondContact N-OE1 3.32Å
31D73.8Confident75.2Confident99 Ų9946.6 Ų46.653%0.52925%0.254SS..SBendtrans-86.9-5.7176.472.24.8000113.2N33 E40D31-N33 PolarHBondContact O-N 3.24Å; D31-N33 WeakPolarHBondContact OD1-CB 3.35Å; D31-N33 PolarHBondContact OD1-N 3.3Å; D31-N33 PolarHBondContact OD1-ND2 3Å; D31-N33 PolarHBondContact OD1-OD1 3.19Å; D31-N33 PolarHBondContact OD2-ND2 3.06Å; D31-E40 PolarHBondContact N-OE1 3Å
32G70.7Confident75.6Confident37 Ų3750.3 Ų50.338%0.38127%0.271SS..  trans66.119.3178.200000112.8D29 T30 G34D29-G32 PolarHBondContact O-N 2.83Å; D29-G32 VanDerWaalsContact OD1-C 3.3Å; D29-G32 WeakPolarHBondContact OD1-CA 3.19Å; D29-G32 PolarHBondContact OD1-N 3.03Å; D29-G32 VanDerWaalsContact OD1-N 3.09Å; T30-G32 VanDerWaalsContact C-N 3.33Å; G32-G34 PolarHBondContact O-N 3.23Å
33N69.2Low76.2Confident36 Ų3653.2 Ų53.219%0.19329%0.292CS..SBendtrans-72.4-14-17774.824.8000111.6D29 D31 Y35 E37 R178D29-N33 PolarHBondContact OD1-N 3.23Å; D31-N33 PolarHBondContact O-N 3.24Å; D31-N33 WeakPolarHBondContact OD1-CB 3.35Å; D31-N33 PolarHBondContact OD1-N 3.3Å; D31-N33 PolarHBondContact OD1-ND2 3Å; D31-N33 PolarHBondContact OD1-OD1 3.19Å; D31-N33 PolarHBondContact OD2-ND2 3.06Å; N33-Y35 WeakPolarHBondContact O-CD2 3.14Å; N33-Y35 WeakPolarHBondContact OD1-CA 3.04Å; N33-Y35 VanDerWaalsContact OD1-CB 3.26Å; N33-Y35 WeakPolarHBondContact OD1-CB 3.36Å; N33-Y35 WeakPolarHBondContact OD1-CD2 3.33Å; N33-Y35 PolarHBondContact OD1-N 3.07Å; N33-Y35 PolarHBondContact OD1-O 3.01Å; N33-E37 PolarHBondContact ND2-OE1 2.95Å; N33-R178 PolarHBondContact O-NH1 3.45Å; N33-R178 PolarHBondContact O-NH2 2.94Å
34G70.7Confident76.5Confident11 Ų1149 Ų4911%0.11327%0.269CS..SBendtrans87.615.6-179.700000114.2W25 D29 G32 R178W25-G34 VanDerWaalsContact CZ2-C 3.48Å; W25-G34 WeakPolarHBondContact CZ2-O 3.42Å; D29-G34 PolarHBondContact OD1-N 2.92Å; D29-G34 VanDerWaalsContact OD2-CA 3.28Å; D29-G34 WeakPolarHBondContact OD2-CA 3.46Å; D29-G34 PolarHBondContact OD2-N 3.49Å; D29-G34 VanDerWaalsContact OD2-N 3.12Å; G32-G34 PolarHBondContact O-N 3.23Å; G34-R178 VanDerWaalsContact CA-NH1 3.32Å
35Y76.3Confident76.4Confident35 Ų3549.1 Ų49.114%0.13727%0.269CS..EExtended strand (participates in β ladder)trans-136.2142.1177.8-55.1-88.2000108.7N33 R82 E84 L188N33-Y35 WeakPolarHBondContact O-CD2 3.14Å; N33-Y35 WeakPolarHBondContact OD1-CA 3.04Å; N33-Y35 VanDerWaalsContact OD1-CB 3.26Å; N33-Y35 WeakPolarHBondContact OD1-CB 3.36Å; N33-Y35 WeakPolarHBondContact OD1-CD2 3.33Å; N33-Y35 PolarHBondContact OD1-N 3.07Å; N33-Y35 PolarHBondContact OD1-O 3.01Å; Y35-R82 HydrophobicContact CD1-CB 4.25Å; Y35-E84 HydrophobicContact CD1-CG 3.89Å; Y35-E84 HydrophobicContact CE1-CG 3.86Å; Y35-L188 WeakPolarHBondContact OH-CD1 3.45Å
36I79.2Confident76.3Confident0 Ų051.7 Ų51.70%029%0.287CS..EExtended strand (participates in β ladder)trans-95.9106.4167.4-63.8176.1000106.7W25 F28 E40 L41 F44 I83 L88W25-I36 HydrophobicContact CD2-CD1 4.43Å; W25-I36 HydrophobicContact CE3-CD1 3.78Å; W25-I36 HydrophobicContact CE3-CG1 4.28Å; W25-I36 HydrophobicContact CH2-CD1 4.22Å; W25-I36 HydrophobicContact CH2-CG1 3.91Å; W25-I36 HydrophobicContact CZ2-CG1 4.35Å; W25-I36 HydrophobicContact CZ3-CD1 3.65Å; W25-I36 HydrophobicContact CZ3-CG1 3.88Å; F28-I36 HydrophobicContact CB-CD1 4.02Å; F28-I36 HydrophobicContact CB-CG1 4.37Å; I36-E40 HydrophobicContact CG2-CB 4.04Å; I36-L41 VanDerWaalsContact CG2-CA 3.5Å; I36-L41 HydrophobicContact CG2-CB 3.99Å; I36-L41 HydrophobicContact CG2-CD1 4.08Å; I36-F44 HydrophobicContact CG2-CB 4.2Å; I36-I83 HydrophobicContact CB-CB 4.31Å; I36-I83 PolarHBondContact N-O 3.3Å; I36-I83 PolarHBondContact O-N 3.39Å; I36-L88 HydrophobicContact CD1-CD2 3.92Å
37E81Confident76.2Confident52 Ų5249.8 Ų49.824%0.24328%0.279CS..  trans-135.1160.8-176.569.2172.1154.700114.3N33 K39 E40 R82N33-E37 PolarHBondContact ND2-OE1 2.95Å; E37-K39 PolarHBondContact O-N 3.13Å; E37-E40 PolarHBondContact N-OE2 2.97Å; E37-E40 WeakPolarHBondContact O-CB 3.44Å; E37-E40 PolarHBondContact O-N 3.15Å; E37-R82 HydrophobicContact CB-CB 4.33Å; E37-R82 HydrophobicContact CB-CG 3.96Å; E37-R82 VanDerWaalsContact CD-NH2 3.26Å; E37-R82 IonicContact OE1-CZ 2.78Å; E37-R82 IonicContact OE1-NE 2.69Å; E37-R82 IonicContact OE1-NH2 3.74Å; E37-R82 PolarHBondContact OE1-NH2 3.34Å; E37-R82 IonicContact OE2-CZ 3.35Å; E37-R82 IonicContact OE2-NE 3.01Å; E37-R82 PolarHBondContact OE2-NE 3.22Å; E37-R82 IonicContact OE2-NH2 3.72Å; E37-R82 PolarHBondContact OE2-NH2 2.85Å
38G81.5Confident75.6Confident51 Ų5146.8 Ų46.853%0.52627%0.266SS..Hα-helixtrans52.8-113.6175.700000113.5E42G38-E42 PolarHBondContact O-N 3.03Å
39K78.9Confident75Confident174 Ų17448.2 Ų48.276%0.75727%0.273SS*.Hα-helixtrans-72.4-27.8-177.9-68.2-176.1179.4178.10113.4E37 S43E37-K39 PolarHBondContact O-N 3.13Å; K39-S43 WeakPolarHBondContact O-CB 3.28Å; K39-S43 PolarHBondContact O-N 3.49Å; K39-S43 PolarHBondContact O-OG 3.46Å
40E83.5Confident74.2Confident24 Ų2451.2 Ų51.211%0.11229%0.292CS..Hα-helixtrans-68.3-43.2177.4-61.9174.2145.300109.6F28 T30 D31 I36 E37 S43 F44F28-E40 VanDerWaalsContact O-CB 3.26Å; F28-E40 WeakPolarHBondContact O-CB 3.37Å; F28-E40 VanDerWaalsContact O-CD 3.28Å; F28-E40 WeakPolarHBondContact O-CG 3.35Å; T30-E40 WeakPolarHBondContact CB-OE1 3.23Å; T30-E40 PolarHBondContact N-OE1 3.32Å; D31-E40 PolarHBondContact N-OE1 3Å; I36-E40 HydrophobicContact CG2-CB 4.04Å; E37-E40 PolarHBondContact N-OE2 2.97Å; E37-E40 WeakPolarHBondContact O-CB 3.44Å; E37-E40 PolarHBondContact O-N 3.15Å; E40-S43 PolarHBondContact O-N 2.77Å; E40-F44 WeakPolarHBondContact O-CB 3.26Å; E40-F44 PolarHBondContact O-N 2.95Å
41L78.7Confident73.5Confident7 Ų747.5 Ų47.54%0.03727%0.273CS..Hα-helixtrans-62.8-43.1175.3-175.462.7000112.3I36 S43 F45 L68 M72 I83I36-L41 VanDerWaalsContact CG2-CA 3.5Å; I36-L41 HydrophobicContact CG2-CB 3.99Å; I36-L41 HydrophobicContact CG2-CD1 4.08Å; L41-S43 VanDerWaalsContact C-N 3.31Å; L41-S43 PolarHBondContact O-N 3.27Å; L41-F45 WeakPolarHBondContact O-CB 3.41Å; L41-F45 PolarHBondContact O-N 2.79Å; L41-L68 HydrophobicContact CD2-CD1 4.28Å; L41-L68 HydrophobicContact CG-CD1 4.06Å; L41-M72 HydrophobicContact CD2-CE 4.19Å; L41-M72 HydrophobicContact CD2-CG 4.31Å; L41-M72 HydrophobicContact CD2-SD 3.9Å; L41-I83 HydrophobicContact CD1-CB 4.32Å; L41-I83 HydrophobicContact CD1-CG1 3.53Å
42E76.6Confident72.5Confident85 Ų8551.3 Ų51.340%0.39728%0.279SS..Hα-helixtrans-61.9-40.4175.4-70.1-175.1169.100111.8G38 T46 F64G38-E42 PolarHBondContact O-N 3.03Å; E42-T46 WeakPolarHBondContact O-CB 3.38Å; E42-T46 PolarHBondContact O-N 2.78Å; E42-T46 PolarHBondContact O-OG1 3.06Å; E42-F64 HydrophobicContact CB-CE1 4.41Å; E42-F64 HydrophobicContact CB-CZ 4.22Å; E42-F64 HydrophobicContact CG-CE1 4.13Å; E42-F64 HydrophobicContact CG-CZ 4.41Å
43S77.9Confident71.7Confident64 Ų6458.2 Ų58.245%0.44829%0.294SS..Hα-helixtrans-68.6-47.8178.8-56.70000111.3K39 E40 L41 F45 T46 E47K39-S43 WeakPolarHBondContact O-CB 3.28Å; K39-S43 PolarHBondContact O-N 3.49Å; K39-S43 PolarHBondContact O-OG 3.46Å; E40-S43 PolarHBondContact O-N 2.77Å; L41-S43 VanDerWaalsContact C-N 3.31Å; L41-S43 PolarHBondContact O-N 3.27Å; S43-F45 VanDerWaalsContact C-N 3.35Å; S43-F45 PolarHBondContact O-N 3.02Å; S43-T46 PolarHBondContact O-N 2.94Å; S43-E47 WeakPolarHBondContact O-CB 3.46Å; S43-E47 PolarHBondContact O-N 3.4Å
44F76.8Confident70.8Confident0 Ų058.5 Ų58.50%031%0.306CS..Hα-helixtrans-54.6-49.4175175.3-106.9000111.7I24 F28 I36 E40 E47 L48 F71 L88I24-F44 HydrophobicContact CG2-CE2 4.16Å; F28-F44 HydrophobicContact CB-CB 4.33Å; F28-F44 HydrophobicContact CD1-CB 3.75Å; F28-F44 HydrophobicContact CD1-CD2 4.38Å; F28-F44 HydrophobicContact CD2-CB 4.33Å; F28-F44 AromaticContact CD2-CD2 3.47Å; F28-F44 HydrophobicContact CD2-CD2 3.47Å; F28-F44 VanDerWaalsContact CD2-CD2 3.47Å; F28-F44 HydrophobicContact CD2-CE2 4.27Å; F28-F44 HydrophobicContact CD2-CG 4.37Å; F28-F44 HydrophobicContact CE1-CB 4.13Å; F28-F44 AromaticContact CE2-CD2 3.67Å; F28-F44 HydrophobicContact CE2-CD2 3.67Å; F28-F44 HydrophobicContact CE2-CE2 4.37Å; F28-F44 HydrophobicContact CG-CB 3.86Å; F28-F44 AromaticContact CG-CD2 3.86Å; F28-F44 HydrophobicContact CG-CD2 3.86Å; F28-F44 HydrophobicContact CG-CG 4.35Å; F28-F44 HydrophobicContact CZ-CD2 4.21Å; I36-F44 HydrophobicContact CG2-CB 4.2Å; E40-F44 WeakPolarHBondContact O-CB 3.26Å; E40-F44 PolarHBondContact O-N 2.95Å; F44-E47 PolarHBondContact O-N 2.85Å; F44-L48 HydrophobicContact CE1-CD2 4.39Å; F44-L48 HydrophobicContact CZ-CD1 4.31Å; F44-L48 VanDerWaalsContact O-CB 3.29Å; F44-L48 WeakPolarHBondContact O-CB 3.14Å; F44-L48 PolarHBondContact O-N 3.03Å; F44-F71 HydrophobicContact CE1-CZ 4.23Å; F44-L88 HydrophobicContact CE1-CD1 3.54Å; F44-L88 HydrophobicContact CE2-CD1 4.24Å; F44-L88 HydrophobicContact CE2-CD2 4.45Å; F44-L88 HydrophobicContact CZ-CD1 3.38Å; F44-L88 HydrophobicContact CZ-CD2 4.33Å; F44-L88 HydrophobicContact CZ-CG 4.37Å
45F71.3Confident69.5Low12 Ų1262.9 Ų62.95%0.05334%0.341CS..Hα-helixtrans-67.2-39.9-177.9-164.6-95.1000112.3L41 S43 E47 L48 E49 F64 K67 L68 F71L41-F45 WeakPolarHBondContact O-CB 3.41Å; L41-F45 PolarHBondContact O-N 2.79Å; S43-F45 VanDerWaalsContact C-N 3.35Å; S43-F45 PolarHBondContact O-N 3.02Å; F45-E47 VanDerWaalsContact C-N 3.3Å; F45-E47 PolarHBondContact O-N 2.74Å; F45-L48 PolarHBondContact O-N 3.02Å; F45-E49 HydrophobicContact CD1-CG 4.01Å; F45-E49 HydrophobicContact CE1-CG 3.64Å; F45-E49 HydrophobicContact CZ-CG 4.11Å; F45-E49 WeakPolarHBondContact O-CB 3.49Å; F45-E49 WeakPolarHBondContact O-CG 3.43Å; F45-E49 PolarHBondContact O-N 3.19Å; F45-F64 HydrophobicContact CB-CE2 4.49Å; F45-F64 HydrophobicContact CB-CZ 4.46Å; F45-F64 HydrophobicContact CD1-CD2 4.11Å; F45-F64 AromaticContact CD1-CE2 3.65Å; F45-F64 HydrophobicContact CD1-CE2 3.65Å; F45-F64 HydrophobicContact CD1-CZ 4.19Å; F45-F64 HydrophobicContact CE1-CE2 4.46Å; F45-K67 HydrophobicContact CE1-CB 4.04Å; F45-K67 HydrophobicContact CZ-CB 3.88Å; F45-L68 HydrophobicContact CB-CD1 3.92Å; F45-L68 HydrophobicContact CD1-CD1 4.33Å; F45-L68 HydrophobicContact CD2-CD1 3.88Å; F45-L68 HydrophobicContact CG-CD1 3.77Å; F45-F71 HydrophobicContact CD2-CB 4.36Å; F45-F71 HydrophobicContact CD2-CD1 4.26Å; F45-F71 HydrophobicContact CD2-CD2 4.27Å; F45-F71 HydrophobicContact CD2-CG 4.06Å; F45-F71 HydrophobicContact CE2-CB 3.66Å; F45-F71 HydrophobicContact CE2-CD1 4.3Å; F45-F71 AromaticContact CE2-CD2 3.72Å; F45-F71 HydrophobicContact CE2-CD2 3.72Å; F45-F71 HydrophobicContact CE2-CE2 4.38Å; F45-F71 AromaticContact CE2-CG 3.65Å; F45-F71 HydrophobicContact CE2-CG 3.65Å; F45-F71 HydrophobicContact CZ-CB 4.42Å
46T71.1Confident68.1Low67 Ų6764.8 Ų64.841%0.41137%0.371SS..Hα-helixtrans-60.3-42.4176-59.60000111.2E42 S43 T50 F64E42-T46 WeakPolarHBondContact O-CB 3.38Å; E42-T46 PolarHBondContact O-N 2.78Å; E42-T46 PolarHBondContact O-OG1 3.06Å; S43-T46 PolarHBondContact O-N 2.94Å; T46-T50 WeakPolarHBondContact O-CB 3.41Å; T46-T50 PolarHBondContact O-N 3.13Å; T46-T50 PolarHBondContact O-OG1 3.09Å; T46-F64 WeakPolarHBondContact OG1-CE2 3.3Å
47E71.4Confident66.6Low72 Ų7268.5 Ų68.534%0.33639%0.393SS..Hα-helixtrans-74.6-39.2-178.5-161.1149.7-173.100112.1L11 F28 S43 F44 F45 T50 A51L11-E47 HydrophobicContact CD1-CG 4.08Å; F28-E47 HydrophobicContact CE1-CB 4.28Å; F28-E47 WeakPolarHBondContact CE1-OE2 3.36Å; F28-E47 HydrophobicContact CZ-CB 3.88Å; F28-E47 HydrophobicContact CZ-CG 4.15Å; F28-E47 VanDerWaalsContact CZ-OE2 3.28Å; F28-E47 WeakPolarHBondContact CZ-OE2 3.38Å; S43-E47 WeakPolarHBondContact O-CB 3.46Å; S43-E47 PolarHBondContact O-N 3.4Å; F44-E47 PolarHBondContact O-N 2.85Å; F45-E47 VanDerWaalsContact C-N 3.3Å; F45-E47 PolarHBondContact O-N 2.74Å; E47-T50 PolarHBondContact O-N 3.27Å; E47-A51 VanDerWaalsContact O-CB 3.32Å; E47-A51 WeakPolarHBondContact O-CB 3.08Å; E47-A51 PolarHBondContact O-N 2.99Å
48L67.3Low65.1Low23 Ų2372.4 Ų72.412%0.1242%0.416CS..Hα-helixtrans-59.9-44.9171.7-168.280.7000111.9L11 F44 F45 A51 R52 F71L11-L48 HydrophobicContact CD2-CD1 4.27Å; F44-L48 HydrophobicContact CE1-CD2 4.39Å; F44-L48 HydrophobicContact CZ-CD1 4.31Å; F44-L48 VanDerWaalsContact O-CB 3.29Å; F44-L48 WeakPolarHBondContact O-CB 3.14Å; F44-L48 PolarHBondContact O-N 3.03Å; F45-L48 PolarHBondContact O-N 3.02Å; L48-A51 PolarHBondContact O-N 3.47Å; L48-R52 WeakPolarHBondContact O-CB 3.14Å; L48-R52 PolarHBondContact O-N 2.92Å; L48-F71 HydrophobicContact CD2-CE2 4.2Å
49E63.1Low63.7Low39 Ų3975.2 Ų75.218%0.18243%0.425CS..Hα-helixtrans-65.9-41.2176.3-77.8-149.5120.400112F45 A51 R52 R53 K67F45-E49 HydrophobicContact CD1-CG 4.01Å; F45-E49 HydrophobicContact CE1-CG 3.64Å; F45-E49 HydrophobicContact CZ-CG 4.11Å; F45-E49 WeakPolarHBondContact O-CB 3.49Å; F45-E49 WeakPolarHBondContact O-CG 3.43Å; F45-E49 PolarHBondContact O-N 3.19Å; E49-A51 VanDerWaalsContact C-N 3.32Å; E49-A51 PolarHBondContact O-N 2.95Å; E49-R52 PolarHBondContact O-N 2.88Å; E49-R53 PolarHBondContact O-N 3.49Å; E49-K67 WeakPolarHBondContact OE1-CD 3.37Å; E49-K67 IonicContact OE1-NZ 2.96Å; E49-K67 PolarHBondContact OE1-NZ 3.39Å
50T63.5Low62.6Low75 Ų7569.9 Ų69.946%0.4641%0.41SS..Hα-helixtrans-61.9-41.9177.2-59.90000111.1T46 E47 G54T46-T50 WeakPolarHBondContact O-CB 3.41Å; T46-T50 PolarHBondContact O-N 3.13Å; T46-T50 PolarHBondContact O-OG1 3.09Å; E47-T50 PolarHBondContact O-N 3.27Å; T50-G54 WeakPolarHBondContact O-CA 3.24Å; T50-G54 PolarHBondContact O-N 3.26Å
51A60.4Low61.3Low35 Ų3575.2 Ų75.229%0.28943%0.434SS..Hα-helixtrans-70.5-34178.600000113.2L11 E47 L48 E49L11-A51 HydrophobicContact CB-CB 3.31Å; L11-A51 HydrophobicContact CD1-CB 4.47Å; L11-A51 WeakPolarHBondContact O-CB 3.39Å; E47-A51 VanDerWaalsContact O-CB 3.32Å; E47-A51 WeakPolarHBondContact O-CB 3.08Å; E47-A51 PolarHBondContact O-N 2.99Å; L48-A51 PolarHBondContact O-N 3.47Å; E49-A51 VanDerWaalsContact C-N 3.32Å; E49-A51 PolarHBondContact O-N 2.95Å
52R53.3Low60.3Low178 Ų17877.9 Ų77.967%0.67246%0.458SS*.Hα-helixtrans-82.4-28.3-176.9-160.5173.3-161.2177.87.3114.3L13 L48 E49L13-R52 HydrophobicContact CD1-CG 4.01Å; L48-R52 WeakPolarHBondContact O-CB 3.14Å; L48-R52 PolarHBondContact O-N 2.92Å; E49-R52 PolarHBondContact O-N 2.88Å
53R53.3Low59.5Low183 Ų18378.7 Ų78.769%0.69146%0.464SS*.Hα-helixtrans-114.1-8.5-176.8-80.8-174.4171.2-142.8-1.2115E49 V57E49-R53 PolarHBondContact O-N 3.49Å; R53-V57 HydrophobicContact CB-CG2 4.49Å
54G51.9Low58.9Low42 Ų4277.2 Ų77.243%0.43345%0.449SS..  trans73.2152.7-170.600000111.7T50 G56T50-G54 WeakPolarHBondContact O-CA 3.24Å; T50-G54 PolarHBondContact O-N 3.26Å; G54-G56 PolarHBondContact O-N 2.89Å
55A42.8Very low58.4Low103 Ų10382.9 Ų82.985%0.85147%0.474SS*.SBendtrans-56.798.7-174.100000112.4
56G47.4Very low58.4Low75 Ų7588.4 Ų88.477%0.77350%0.5SS*.  trans176.820-17900000117.8G54G54-G56 PolarHBondContact O-N 2.89Å
57V46.9Very low58.1Low77 Ų7787.5 Ų87.547%0.46749%0.491SS..  trans-102.6124.5175.7-172.40000110R53R53-V57 HydrophobicContact CB-CG2 4.49Å
58D50Low58Low134 Ų13485 Ų8572%0.71748%0.48SS*.  trans-64.6126.5174.1-166-50.4000109.9S60D58-S60 PolarHBondContact O-N 3.37Å
59P51.3Low58.2Low111 Ų11191.3 Ų91.372%0.72151%0.506SS*.  trans-77.558.8-176.633.9-35000111.2H61P59-H61 PolarHBondContact O-N 2.75Å
60S55.7Low58.6Low62 Ų6295.7 Ų95.743%0.43453%0.526SS..  trans-67.6103.5163.6175.40000108.3D58 A62 L63 F64D58-S60 PolarHBondContact O-N 3.37Å; S60-A62 PolarHBondContact O-N 2.77Å; S60-L63 PolarHBondContact O-N 3.29Å; S60-F64 PolarHBondContact O-N 2.89Å
61H56.6Low59Low135 Ų13593.1 Ų93.163%0.62551%0.509SS*.Hα-helixtrans-47.4-25.6177.4-93.7-78.6000114P59 K65P59-H61 PolarHBondContact O-N 2.75Å; H61-K65 WeakPolarHBondContact O-CB 3.48Å; H61-K65 WeakPolarHBondContact O-CG 3.16Å; H61-K65 PolarHBondContact O-N 3.22Å; H61-K65 VanDerWaalsContact O-N 3.14Å
62A57.3Low59.5Low64 Ų6493.2 Ų93.253%0.52950%0.503SS..Hα-helixtrans-70.8-49.5179.100000112.1S60 F64 K65 E66S60-A62 PolarHBondContact O-N 2.77Å; A62-F64 VanDerWaalsContact C-N 3.34Å; A62-K65 PolarHBondContact O-N 3.4Å; A62-E66 PolarHBondContact O-N 3.01Å; A62-E66 VanDerWaalsContact O-N 3.12Å
63L60Low60.5Low101 Ų10188.6 Ų88.653%0.52950%0.504SS..Hα-helixtrans-70.2-34.8-179.7-130.898.5000111.6S60 E66 K67S60-L63 PolarHBondContact O-N 3.29Å; L63-E66 PolarHBondContact O-N 2.71Å; L63-K67 WeakPolarHBondContact O-CG 3.35Å; L63-K67 PolarHBondContact O-N 3.47Å
64F65.2Low61.2Low33 Ų3385.4 Ų85.415%0.14550%0.5CS..Hα-helixtrans-61.2-48.1174.6179.5-94.6000111.4E42 F45 T46 S60 A62 E66 K67 L68E42-F64 HydrophobicContact CB-CE1 4.41Å; E42-F64 HydrophobicContact CB-CZ 4.22Å; E42-F64 HydrophobicContact CG-CE1 4.13Å; E42-F64 HydrophobicContact CG-CZ 4.41Å; F45-F64 HydrophobicContact CB-CE2 4.49Å; F45-F64 HydrophobicContact CB-CZ 4.46Å; F45-F64 HydrophobicContact CD1-CD2 4.11Å; F45-F64 AromaticContact CD1-CE2 3.65Å; F45-F64 HydrophobicContact CD1-CE2 3.65Å; F45-F64 HydrophobicContact CD1-CZ 4.19Å; F45-F64 HydrophobicContact CE1-CE2 4.46Å; T46-F64 WeakPolarHBondContact OG1-CE2 3.3Å; S60-F64 PolarHBondContact O-N 2.89Å; A62-F64 VanDerWaalsContact C-N 3.34Å; F64-E66 PolarHBondContact O-N 3.07Å; F64-K67 PolarHBondContact O-N 3.18Å; F64-L68 HydrophobicContact CE1-CD2 4.3Å; F64-L68 VanDerWaalsContact O-CB 3.27Å; F64-L68 WeakPolarHBondContact O-CB 3.3Å; F64-L68 PolarHBondContact O-N 3.08Å
65K66.4Low61.9Low120 Ų12085.8 Ų85.852%0.52249%0.49SS..Hα-helixtrans-66.4-35.6178.4-80.1-176.2176-175.40113.2H61 A62 K69H61-K65 WeakPolarHBondContact O-CB 3.48Å; H61-K65 WeakPolarHBondContact O-CG 3.16Å; H61-K65 PolarHBondContact O-N 3.22Å; H61-K65 VanDerWaalsContact O-N 3.14Å; A62-K65 PolarHBondContact O-N 3.4Å; K65-K69 WeakPolarHBondContact O-CB 3.38Å; K65-K69 WeakPolarHBondContact O-CG 3.45Å; K65-K69 PolarHBondContact O-N 2.95Å
66E70.9Confident63.4Low127 Ų12781.5 Ų81.559%0.59345%0.453SS*.Hα-helixtrans-66.8-45.5175.9-75.7-171.8140.900111.6A62 L63 F64 K69 E70A62-E66 PolarHBondContact O-N 3.01Å; A62-E66 VanDerWaalsContact O-N 3.12Å; L63-E66 PolarHBondContact O-N 2.71Å; F64-E66 PolarHBondContact O-N 3.07Å; E66-K69 WeakPolarHBondContact O-CB 3.35Å; E66-K69 PolarHBondContact O-N 3.01Å; E66-E70 PolarHBondContact O-N 3.35Å
67K66.3Low64.3Low49 Ų4982.5 Ų82.521%0.21344%0.436CS..Hα-helixtrans-66.7-38.3175.9-74.2-178.9173.3179.50113.4F45 E49 L63 F64 K69 E70 F71F45-K67 HydrophobicContact CE1-CB 4.04Å; F45-K67 HydrophobicContact CZ-CB 3.88Å; E49-K67 WeakPolarHBondContact OE1-CD 3.37Å; E49-K67 IonicContact OE1-NZ 2.96Å; E49-K67 PolarHBondContact OE1-NZ 3.39Å; L63-K67 WeakPolarHBondContact O-CG 3.35Å; L63-K67 PolarHBondContact O-N 3.47Å; F64-K67 PolarHBondContact O-N 3.18Å; K67-K69 VanDerWaalsContact C-N 3.3Å; K67-E70 PolarHBondContact O-N 3.02Å; K67-F71 VanDerWaalsContact O-CB 3.29Å; K67-F71 WeakPolarHBondContact O-CB 3.5Å; K67-F71 PolarHBondContact O-N 3.01Å
68L68.3Low65.1Low20 Ų2080.8 Ų80.811%0.10542%0.424CS..Hα-helixtrans-63.1-41.3174.7-173.368.2000110.4L41 F45 F64 F71 M72L41-L68 HydrophobicContact CD2-CD1 4.28Å; L41-L68 HydrophobicContact CG-CD1 4.06Å; F45-L68 HydrophobicContact CB-CD1 3.92Å; F45-L68 HydrophobicContact CD1-CD1 4.33Å; F45-L68 HydrophobicContact CD2-CD1 3.88Å; F45-L68 HydrophobicContact CG-CD1 3.77Å; F64-L68 HydrophobicContact CE1-CD2 4.3Å; F64-L68 VanDerWaalsContact O-CB 3.27Å; F64-L68 WeakPolarHBondContact O-CB 3.3Å; F64-L68 PolarHBondContact O-N 3.08Å; L68-F71 WeakPolarHBondContact O-CB 3.34Å; L68-F71 PolarHBondContact O-N 3.1Å; L68-M72 HydrophobicContact CG-SD 4.35Å; L68-M72 WeakPolarHBondContact O-CB 3.45Å; L68-M72 VanDerWaalsContact O-CG 3.3Å; L68-M72 WeakPolarHBondContact O-CG 3.49Å; L68-M72 PolarHBondContact O-N 2.86Å
69K72.4Confident66Low155 Ų15579.2 Ų79.267%0.67442%0.423SS*.Hα-helixtrans-62.5-43.4173-82.7-177.8175-172.80112.8K65 E66 K67 F71 A73K65-K69 WeakPolarHBondContact O-CB 3.38Å; K65-K69 WeakPolarHBondContact O-CG 3.45Å; K65-K69 PolarHBondContact O-N 2.95Å; E66-K69 WeakPolarHBondContact O-CB 3.35Å; E66-K69 PolarHBondContact O-N 3.01Å; K67-K69 VanDerWaalsContact C-N 3.3Å; K69-F71 VanDerWaalsContact C-N 3.3Å; K69-A73 VanDerWaalsContact O-CB 3.23Å; K69-A73 WeakPolarHBondContact O-CB 3.38Å; K69-A73 PolarHBondContact O-N 3.25Å
70E71.8Confident66.9Low130 Ų13077 Ų7761%0.60741%0.406SS*.Hα-helixtrans-64-37.7174.8-75.9-176.9171.100111.8E66 K67 A73 N74E66-E70 PolarHBondContact O-N 3.35Å; K67-E70 PolarHBondContact O-N 3.02Å; E70-A73 PolarHBondContact O-N 2.85Å; E70-N74 VanDerWaalsContact O-CG 3.3Å; E70-N74 PolarHBondContact O-N 3.43Å; E70-N74 VanDerWaalsContact O-N 3.15Å; E70-N74 PolarHBondContact O-ND2 2.87Å
71F70.6Confident67.7Low22 Ų2275.6 Ų75.610%0.09640%0.401CS..Hα-helixtrans-64.8-51.2176.2-175.6-92.3000111.2F44 F45 L48 K67 L68 K69 A73 N74 F75 I83 I91F44-F71 HydrophobicContact CE1-CZ 4.23Å; F45-F71 HydrophobicContact CD2-CB 4.36Å; F45-F71 HydrophobicContact CD2-CD1 4.26Å; F45-F71 HydrophobicContact CD2-CD2 4.27Å; F45-F71 HydrophobicContact CD2-CG 4.06Å; F45-F71 HydrophobicContact CE2-CB 3.66Å; F45-F71 HydrophobicContact CE2-CD1 4.3Å; F45-F71 AromaticContact CE2-CD2 3.72Å; F45-F71 HydrophobicContact CE2-CD2 3.72Å; F45-F71 HydrophobicContact CE2-CE2 4.38Å; F45-F71 AromaticContact CE2-CG 3.65Å; F45-F71 HydrophobicContact CE2-CG 3.65Å; F45-F71 HydrophobicContact CZ-CB 4.42Å; L48-F71 HydrophobicContact CD2-CE2 4.2Å; K67-F71 VanDerWaalsContact O-CB 3.29Å; K67-F71 WeakPolarHBondContact O-CB 3.5Å; K67-F71 PolarHBondContact O-N 3.01Å; L68-F71 WeakPolarHBondContact O-CB 3.34Å; L68-F71 PolarHBondContact O-N 3.1Å; K69-F71 VanDerWaalsContact C-N 3.3Å; F71-A73 VanDerWaalsContact C-N 3.33Å; F71-A73 PolarHBondContact O-N 3.11Å; F71-N74 PolarHBondContact O-N 3.15Å; F71-N74 VanDerWaalsContact O-N 3.07Å; F71-F75 HydrophobicContact CD1-CD2 4.16Å; F71-F75 AromaticContact CD2-CD2 3.64Å; F71-F75 HydrophobicContact CD2-CD2 3.64Å; F71-F75 AromaticContact CD2-CE2 3.65Å; F71-F75 HydrophobicContact CD2-CE2 3.65Å; F71-F75 HydrophobicContact CE1-CD2 4.16Å; F71-F75 AromaticContact CE2-CD2 3.65Å; F71-F75 HydrophobicContact CE2-CD2 3.65Å; F71-F75 AromaticContact CE2-CE2 3.62Å; F71-F75 HydrophobicContact CE2-CE2 3.62Å; F71-F75 AromaticContact CG-CD2 3.93Å; F71-F75 HydrophobicContact CG-CD2 3.93Å; F71-F75 HydrophobicContact CG-CE2 4.36Å; F71-F75 AromaticContact CZ-CD2 3.94Å; F71-F75 HydrophobicContact CZ-CD2 3.94Å; F71-F75 HydrophobicContact CZ-CE2 4.31Å; F71-F75 WeakPolarHBondContact O-CD2 3.2Å; F71-F75 PolarHBondContact O-N 2.96Å; F71-I83 HydrophobicContact CE1-CD1 4.34Å; F71-I91 HydrophobicContact CE1-CD1 3.65Å; F71-I91 HydrophobicContact CE2-CD1 4.16Å; F71-I91 HydrophobicContact CE2-CG1 4.29Å; F71-I91 HydrophobicContact CE2-CG2 3.88Å; F71-I91 HydrophobicContact CZ-CB 4.44Å; F71-I91 HydrophobicContact CZ-CD1 3.27Å; F71-I91 HydrophobicContact CZ-CG1 3.85Å; F71-I91 HydrophobicContact CZ-CG2 3.75Å
72M72.3Confident68.7Low36 Ų3673.3 Ų73.318%0.17739%0.387CS..Hα-helixtrans-57.9-46.5174.3-67.8178.378.900110.6L41 L68 N74 F75 D76 G81L41-M72 HydrophobicContact CD2-CE 4.19Å; L41-M72 HydrophobicContact CD2-CG 4.31Å; L41-M72 HydrophobicContact CD2-SD 3.9Å; L68-M72 HydrophobicContact CG-SD 4.35Å; L68-M72 WeakPolarHBondContact O-CB 3.45Å; L68-M72 VanDerWaalsContact O-CG 3.3Å; L68-M72 WeakPolarHBondContact O-CG 3.49Å; L68-M72 PolarHBondContact O-N 2.86Å; M72-N74 PolarHBondContact O-N 2.99Å; M72-F75 PolarHBondContact O-N 3.37Å; M72-F75 VanDerWaalsContact O-N 3.1Å; M72-D76 HydrophobicContact CB-CB 4.19Å; M72-D76 WeakPolarHBondContact O-CA 3.39Å; M72-D76 WeakPolarHBondContact O-CB 3.47Å; M72-D76 PolarHBondContact O-N 3.45Å; M72-G81 VanDerWaalsContact CE-C 3.46Å; M72-G81 WeakPolarHBondContact CE-O 3.4Å
73A72.4Confident69.5Low82 Ų8270.3 Ų70.368%0.67836%0.362SS*.Hα-helixtrans-58.6-23.6177.800000114.5K69 E70 F71K69-A73 VanDerWaalsContact O-CB 3.23Å; K69-A73 WeakPolarHBondContact O-CB 3.38Å; K69-A73 PolarHBondContact O-N 3.25Å; E70-A73 PolarHBondContact O-N 2.85Å; F71-A73 VanDerWaalsContact C-N 3.33Å; F71-A73 PolarHBondContact O-N 3.11Å
74N68Low70.1Confident115 Ų11565.9 Ų65.962%0.61534%0.338SS*.Hα-helixtrans-93.1-27178.2-73.1-45.7000113.7E70 F71 M72E70-N74 VanDerWaalsContact O-CG 3.3Å; E70-N74 PolarHBondContact O-N 3.43Å; E70-N74 VanDerWaalsContact O-N 3.15Å; E70-N74 PolarHBondContact O-ND2 2.87Å; F71-N74 PolarHBondContact O-N 3.15Å; F71-N74 VanDerWaalsContact O-N 3.07Å; M72-N74 PolarHBondContact O-N 2.99Å
75F68.5Low70.2Confident50 Ų5064.9 Ų64.922%0.21934%0.335CS..Hα-helixtrans-121.1-32.7-168.8-63.2-69.3000114.6F71 M72 K77 I83 E87 Q90 I91F71-F75 HydrophobicContact CD1-CD2 4.16Å; F71-F75 AromaticContact CD2-CD2 3.64Å; F71-F75 HydrophobicContact CD2-CD2 3.64Å; F71-F75 AromaticContact CD2-CE2 3.65Å; F71-F75 HydrophobicContact CD2-CE2 3.65Å; F71-F75 HydrophobicContact CE1-CD2 4.16Å; F71-F75 AromaticContact CE2-CD2 3.65Å; F71-F75 HydrophobicContact CE2-CD2 3.65Å; F71-F75 AromaticContact CE2-CE2 3.62Å; F71-F75 HydrophobicContact CE2-CE2 3.62Å; F71-F75 AromaticContact CG-CD2 3.93Å; F71-F75 HydrophobicContact CG-CD2 3.93Å; F71-F75 HydrophobicContact CG-CE2 4.36Å; F71-F75 AromaticContact CZ-CD2 3.94Å; F71-F75 HydrophobicContact CZ-CD2 3.94Å; F71-F75 HydrophobicContact CZ-CE2 4.31Å; F71-F75 WeakPolarHBondContact O-CD2 3.2Å; F71-F75 PolarHBondContact O-N 2.96Å; M72-F75 PolarHBondContact O-N 3.37Å; M72-F75 VanDerWaalsContact O-N 3.1Å; F75-K77 VanDerWaalsContact C-N 3.33Å; F75-K77 PolarHBondContact O-N 2.9Å; F75-I83 HydrophobicContact CB-CD1 4.44Å; F75-E87 WeakPolarHBondContact O-CB 3.45Å; F75-E87 VanDerWaalsContact O-CD 3.27Å; F75-E87 WeakPolarHBondContact O-CG 3.46Å; F75-Q90 HydrophobicContact CD1-CB 4.42Å; F75-I91 HydrophobicContact CB-CD1 3.7Å; F75-I91 HydrophobicContact CB-CG1 3.95Å; F75-I91 HydrophobicContact CD1-CB 4.42Å; F75-I91 HydrophobicContact CD1-CD1 3.98Å; F75-I91 HydrophobicContact CD1-CG1 3.21Å; F75-I91 HydrophobicContact CD2-CD1 4Å; F75-I91 HydrophobicContact CD2-CG1 3.71Å; F75-I91 HydrophobicContact CE1-CB 4.28Å; F75-I91 HydrophobicContact CE1-CG1 3.47Å; F75-I91 VanDerWaalsContact CE1-CG1 3.47Å; F75-I91 HydrophobicContact CE2-CG1 3.96Å; F75-I91 HydrophobicContact CG-CD1 3.63Å; F75-I91 HydrophobicContact CG-CG1 3.34Å; F75-I91 HydrophobicContact CZ-CG1 3.84Å
76D72.4Confident70.1Confident13 Ų1360.1 Ų60.17%0.0732%0.316CS..  trans-75.584.1170.8175.62.8000108.4M72 N78 S79 D80 G81 I83 E87M72-D76 HydrophobicContact CB-CB 4.19Å; M72-D76 WeakPolarHBondContact O-CA 3.39Å; M72-D76 WeakPolarHBondContact O-CB 3.47Å; M72-D76 PolarHBondContact O-N 3.45Å; D76-N78 VanDerWaalsContact C-N 3.33Å; D76-N78 PolarHBondContact OD1-OD1 3.42Å; D76-S79 PolarHBondContact O-N 3.17Å; D76-S79 WeakPolarHBondContact OD1-CA 3.08Å; D76-S79 PolarHBondContact OD1-N 3.39Å; D76-S79 WeakPolarHBondContact OD2-CA 3.27Å; D76-D80 PolarHBondContact OD1-N 2.74Å; D76-D80 VanDerWaalsContact OD1-N 3.16Å; D76-G81 WeakPolarHBondContact OD2-CA 3.38Å; D76-G81 PolarHBondContact OD2-N 3.36Å; D76-I83 HydrophobicContact CB-CD1 4.24Å; D76-E87 WeakPolarHBondContact CA-OE1 3.09Å
77K68.1Low70.2Confident97 Ų9754.3 Ų54.342%0.42229%0.289SS..SBendtrans-74.5-27.1-174-78.4-172.9172.9177.10112.2F75 E87 Q183F75-K77 VanDerWaalsContact C-N 3.33Å; F75-K77 PolarHBondContact O-N 2.9Å; K77-E87 PolarHBondContact N-OE1 3.33Å; K77-Q183 PolarHBondContact O-NE2 3.11Å
78N63.1Low70.2Confident41 Ų4152 Ų5222%0.21928%0.279CS..SBendtrans-91.7-7.8-179.974.54.7000111.7D76 D80 E84 V182D76-N78 VanDerWaalsContact C-N 3.33Å; D76-N78 PolarHBondContact OD1-OD1 3.42Å; N78-D80 VanDerWaalsContact CG-CG 3.47Å; N78-D80 PolarHBondContact ND2-OD2 3.47Å; N78-D80 PolarHBondContact O-N 2.85Å; N78-D80 VanDerWaalsContact OD1-CB 3.24Å; N78-D80 WeakPolarHBondContact OD1-CB 3.3Å; N78-D80 PolarHBondContact OD1-N 3.45Å; N78-D80 PolarHBondContact OD1-OD1 3.13Å; N78-D80 VanDerWaalsContact OD1-OD1 3.11Å; N78-D80 PolarHBondContact OD1-OD2 3.21Å; N78-E84 PolarHBondContact ND2-OE1 3.29Å; N78-V182 VanDerWaalsContact ND2-CG1 3.26Å; N78-V182 WeakPolarHBondContact ND2-CG1 3.31Å
79S68.7Low69.9Low100 Ų10051.7 Ų51.770%0.69928%0.278SS*.  trans5631.1-178.6-58.10000113D76 G81D76-S79 PolarHBondContact O-N 3.17Å; D76-S79 WeakPolarHBondContact OD1-CA 3.08Å; D76-S79 PolarHBondContact OD1-N 3.39Å; D76-S79 WeakPolarHBondContact OD2-CA 3.27Å; S79-G81 VanDerWaalsContact C-N 3.27Å
80D69.6Low69.3Low65 Ų6547.5 Ų47.535%0.34826%0.261SS..SBendtrans-83.8-5.7179.778.11.1000112.9D76 N78 R82D76-D80 PolarHBondContact OD1-N 2.74Å; D76-D80 VanDerWaalsContact OD1-N 3.16Å; N78-D80 VanDerWaalsContact CG-CG 3.47Å; N78-D80 PolarHBondContact ND2-OD2 3.47Å; N78-D80 PolarHBondContact O-N 2.85Å; N78-D80 VanDerWaalsContact OD1-CB 3.24Å; N78-D80 WeakPolarHBondContact OD1-CB 3.3Å; N78-D80 PolarHBondContact OD1-N 3.45Å; N78-D80 PolarHBondContact OD1-OD1 3.13Å; N78-D80 VanDerWaalsContact OD1-OD1 3.11Å; N78-D80 PolarHBondContact OD1-OD2 3.21Å; D80-R82 VanDerWaalsContact C-N 3.33Å; D80-R82 WeakPolarHBondContact OD1-CA 3.36Å; D80-R82 WeakPolarHBondContact OD1-CB 3.29Å; D80-R82 PolarHBondContact OD1-N 3.43Å
81G72.3Confident68.6Low33 Ų3342.6 Ų42.634%0.3424%0.238SC..SBendtrans83.49.1178.100000114M72 D76 S79M72-G81 VanDerWaalsContact CE-C 3.46Å; M72-G81 WeakPolarHBondContact CE-O 3.4Å; D76-G81 WeakPolarHBondContact OD2-CA 3.38Å; D76-G81 PolarHBondContact OD2-N 3.36Å; S79-G81 VanDerWaalsContact C-N 3.27Å
82R77.6Confident67.8Low87 Ų8742.4 Ų42.433%0.32824%0.238SC..SBendtrans-120.6155.2-178.4-52.9176.5165.8-163.4-17.8108.5Y35 E37 D80Y35-R82 HydrophobicContact CD1-CB 4.25Å; E37-R82 HydrophobicContact CB-CB 4.33Å; E37-R82 HydrophobicContact CB-CG 3.96Å; E37-R82 VanDerWaalsContact CD-NH2 3.26Å; E37-R82 IonicContact OE1-CZ 2.78Å; E37-R82 IonicContact OE1-NE 2.69Å; E37-R82 IonicContact OE1-NH2 3.74Å; E37-R82 PolarHBondContact OE1-NH2 3.34Å; E37-R82 IonicContact OE2-CZ 3.35Å; E37-R82 IonicContact OE2-NE 3.01Å; E37-R82 PolarHBondContact OE2-NE 3.22Å; E37-R82 IonicContact OE2-NH2 3.72Å; E37-R82 PolarHBondContact OE2-NH2 2.85Å; D80-R82 VanDerWaalsContact C-N 3.33Å; D80-R82 WeakPolarHBondContact OD1-CA 3.36Å; D80-R82 WeakPolarHBondContact OD1-CB 3.29Å; D80-R82 PolarHBondContact OD1-N 3.43Å
83I75.6Confident66.6Low0 Ų043.9 Ų43.90%025%0.251CS..EExtended strand (participates in β ladder)trans-105.7114.3169.5-63.1-63000107.9I36 L41 F71 F75 D76 E87 L88 I91I36-I83 HydrophobicContact CB-CB 4.31Å; I36-I83 PolarHBondContact N-O 3.3Å; I36-I83 PolarHBondContact O-N 3.39Å; L41-I83 HydrophobicContact CD1-CB 4.32Å; L41-I83 HydrophobicContact CD1-CG1 3.53Å; F71-I83 HydrophobicContact CE1-CD1 4.34Å; F75-I83 HydrophobicContact CB-CD1 4.44Å; D76-I83 HydrophobicContact CB-CD1 4.24Å; I83-E87 HydrophobicContact CG2-CB 4.45Å; I83-L88 HydrophobicContact CG2-CB 3.96Å; I83-L88 HydrophobicContact CG2-CD1 3.88Å; I83-L88 HydrophobicContact CG2-CG 4.49Å; I83-I91 HydrophobicContact CG2-CD1 4.36Å
84E72.4Confident65.7Low8 Ų841.5 Ų41.54%0.03723%0.228CC..EExtended strand (participates in β ladder)trans-81.4159.9174-65.3167.9-157.700111.5Y35 N78 S86 E87 L88 V182Y35-E84 HydrophobicContact CD1-CG 3.89Å; Y35-E84 HydrophobicContact CE1-CG 3.86Å; N78-E84 PolarHBondContact ND2-OE1 3.29Å; E84-S86 PolarHBondContact O-N 2.91Å; E84-S86 PolarHBondContact OE2-OG 2.76Å; E84-E87 HydrophobicContact CB-CB 4.46Å; E84-E87 HydrophobicContact CB-CG 4.22Å; E84-E87 PolarHBondContact N-OE2 2.79Å; E84-E87 VanDerWaalsContact N-OE2 3.15Å; E84-E87 PolarHBondContact O-N 2.92Å; E84-L88 PolarHBondContact O-N 3.45Å; E84-V182 HydrophobicContact CG-CG2 4.36Å; E84-V182 WeakPolarHBondContact OE1-CB 3.45Å; E84-V182 WeakPolarHBondContact OE1-CG1 3.45Å; E84-V182 WeakPolarHBondContact OE1-CG2 3.36Å; E84-V182 WeakPolarHBondContact OE2-CG2 3.24Å
85M67.6Low64.6Low13 Ų1342.7 Ų42.76%0.06423%0.23CC..Hα-helixtrans-54.7-38.7169.7-171.960.6132.100111.3F21 W25 E87 L88 V89 M162 F163F21-M85 HydrophobicContact CD1-CE 4.32Å; F21-M85 HydrophobicContact CD1-SD 4.49Å; F21-M85 HydrophobicContact CE1-CE 3.68Å; F21-M85 HydrophobicContact CE1-SD 3.37Å; F21-M85 WeakPolarHBondContact CE1-SD 3.33Å; F21-M85 HydrophobicContact CZ-CE 4.34Å; F21-M85 HydrophobicContact CZ-SD 3.53Å; F21-M85 VanDerWaalsContact CZ-SD 3.53Å; W25-M85 HydrophobicContact CB-CE 4.14Å; W25-M85 HydrophobicContact CD2-CE 3.98Å; W25-M85 HydrophobicContact CD2-SD 3.56Å; W25-M85 VanDerWaalsContact CD2-SD 3.56Å; W25-M85 HydrophobicContact CE3-CB 4.42Å; W25-M85 HydrophobicContact CE3-CE 4.36Å; W25-M85 HydrophobicContact CE3-SD 3.38Å; W25-M85 HydrophobicContact CG-CE 3.83Å; W25-M85 HydrophobicContact CG-SD 4.04Å; W25-M85 HydrophobicContact CH2-CB 3.94Å; W25-M85 HydrophobicContact CZ2-CB 4.18Å; W25-M85 HydrophobicContact CZ3-CB 4.06Å; W25-M85 HydrophobicContact CZ3-SD 3.92Å; M85-E87 PolarHBondContact O-N 2.94Å; M85-L88 PolarHBondContact O-N 3.01Å; M85-V89 WeakPolarHBondContact O-CG2 3.42Å; M85-V89 PolarHBondContact O-N 3.3Å; M85-V89 VanDerWaalsContact O-N 3.08Å; M85-M162 HydrophobicContact CE-CB 4.33Å; M85-M162 HydrophobicContact CE-CE 4.28Å; M85-M162 HydrophobicContact CE-CG 3.84Å; M85-M162 HydrophobicContact CE-SD 4.02Å; M85-F163 HydrophobicContact CG-CE1 4.28Å; M85-F163 HydrophobicContact CG-CZ 3.94Å
86S63.6Low63.7Low20 Ų2043.3 Ų43.314%0.1423%0.233CC..Hα-helixtrans-63.5-25.2178.6850000113.6E84 Q90E84-S86 PolarHBondContact O-N 2.91Å; E84-S86 PolarHBondContact OE2-OG 2.76Å; S86-Q90 PolarHBondContact O-NE2 3.42Å
87E71.8Confident62.7Low5 Ų545.4 Ų45.42%0.02325%0.245CC..Hα-helixtrans-93.8-39.7179.8-65.5177145.700111.1F75 D76 K77 I83 E84 M85 V89 Q90F75-E87 WeakPolarHBondContact O-CB 3.45Å; F75-E87 VanDerWaalsContact O-CD 3.27Å; F75-E87 WeakPolarHBondContact O-CG 3.46Å; D76-E87 WeakPolarHBondContact CA-OE1 3.09Å; K77-E87 PolarHBondContact N-OE1 3.33Å; I83-E87 HydrophobicContact CG2-CB 4.45Å; E84-E87 HydrophobicContact CB-CB 4.46Å; E84-E87 HydrophobicContact CB-CG 4.22Å; E84-E87 PolarHBondContact N-OE2 2.79Å; E84-E87 VanDerWaalsContact N-OE2 3.15Å; E84-E87 PolarHBondContact O-N 2.92Å; M85-E87 PolarHBondContact O-N 2.94Å; E87-V89 VanDerWaalsContact C-N 3.27Å; E87-V89 PolarHBondContact O-N 3.15Å; E87-Q90 WeakPolarHBondContact O-CB 3.39Å; E87-Q90 PolarHBondContact O-N 2.89Å
88L67.9Low62.1Low0 Ų041.1 Ų41.10%023%0.226CC..Hα-helixtrans-63.3-32.1176-159.670.8000113F21 W25 I36 F44 I83 E84 M85 Q90 I91 L92F21-L88 HydrophobicContact CE2-CB 4.41Å; F21-L88 HydrophobicContact CE2-CD2 3.51Å; F21-L88 HydrophobicContact CE2-CG 3.84Å; F21-L88 HydrophobicContact CZ-CB 4.15Å; F21-L88 HydrophobicContact CZ-CD2 3.86Å; F21-L88 HydrophobicContact CZ-CG 4.09Å; W25-L88 HydrophobicContact CE3-CB 4.33Å; W25-L88 HydrophobicContact CE3-CD2 3.39Å; W25-L88 HydrophobicContact CE3-CG 4.47Å; W25-L88 HydrophobicContact CZ3-CB 3.93Å; W25-L88 HydrophobicContact CZ3-CD2 3.68Å; W25-L88 HydrophobicContact CZ3-CG 4.4Å; I36-L88 HydrophobicContact CD1-CD2 3.92Å; F44-L88 HydrophobicContact CE1-CD1 3.54Å; F44-L88 HydrophobicContact CE2-CD1 4.24Å; F44-L88 HydrophobicContact CE2-CD2 4.45Å; F44-L88 HydrophobicContact CZ-CD1 3.38Å; F44-L88 HydrophobicContact CZ-CD2 4.33Å; F44-L88 HydrophobicContact CZ-CG 4.37Å; I83-L88 HydrophobicContact CG2-CB 3.96Å; I83-L88 HydrophobicContact CG2-CD1 3.88Å; I83-L88 HydrophobicContact CG2-CG 4.49Å; E84-L88 PolarHBondContact O-N 3.45Å; M85-L88 PolarHBondContact O-N 3.01Å; L88-Q90 PolarHBondContact O-N 3.25Å; L88-I91 HydrophobicContact CD1-CB 4.29Å; L88-I91 HydrophobicContact CD1-CD1 3.61Å; L88-I91 HydrophobicContact CD1-CG1 4.49Å; L88-I91 HydrophobicContact CD1-CG2 4.49Å; L88-I91 WeakPolarHBondContact O-CB 3.45Å; L88-I91 PolarHBondContact O-N 3.27Å; L88-L92 PolarHBondContact O-N 3.19Å
89V61.9Low61.8Low14 Ų1440 Ų409%0.08522%0.22CC..Hα-helixtrans-60.1-27.1173170.40000112.4F21 M85 E87 I91 L99 I100F21-V89 HydrophobicContact CE1-CG2 3.83Å; F21-V89 HydrophobicContact CZ-CG2 4Å; M85-V89 WeakPolarHBondContact O-CG2 3.42Å; M85-V89 PolarHBondContact O-N 3.3Å; M85-V89 VanDerWaalsContact O-N 3.08Å; E87-V89 VanDerWaalsContact C-N 3.27Å; E87-V89 PolarHBondContact O-N 3.15Å; V89-I91 VanDerWaalsContact C-N 3.34Å; V89-L99 HydrophobicContact CB-CD1 4.5Å; V89-L99 HydrophobicContact CG1-CB 3.89Å; V89-L99 HydrophobicContact CG1-CD1 4.21Å; V89-L99 HydrophobicContact CG2-CB 4.34Å; V89-L99 HydrophobicContact CG2-CD1 3.41Å; V89-L99 VanDerWaalsContact CG2-CD1 3.41Å; V89-L99 HydrophobicContact CG2-CG 4.45Å; V89-I100 HydrophobicContact CG1-CG1 4.44Å
90Q58.8Low61.3Low66 Ų6637.8 Ų37.831%0.30820%0.2SC..Hα-helixtrans-80.6-18.3175.6-63.9173.466.100112.9F75 S86 E87 L88F75-Q90 HydrophobicContact CD1-CB 4.42Å; S86-Q90 PolarHBondContact O-NE2 3.42Å; E87-Q90 WeakPolarHBondContact O-CB 3.39Å; E87-Q90 PolarHBondContact O-N 2.89Å; L88-Q90 PolarHBondContact O-N 3.25Å
91I57.6Low60.7Low27 Ų2735.1 Ų35.114%0.13819%0.186CC..Hα-helixtrans-81.5-30.3-176.2-67.6162.8000110.8F71 F75 I83 L88 V89F71-I91 HydrophobicContact CE1-CD1 3.65Å; F71-I91 HydrophobicContact CE2-CD1 4.16Å; F71-I91 HydrophobicContact CE2-CG1 4.29Å; F71-I91 HydrophobicContact CE2-CG2 3.88Å; F71-I91 HydrophobicContact CZ-CB 4.44Å; F71-I91 HydrophobicContact CZ-CD1 3.27Å; F71-I91 HydrophobicContact CZ-CG1 3.85Å; F71-I91 HydrophobicContact CZ-CG2 3.75Å; F75-I91 HydrophobicContact CB-CD1 3.7Å; F75-I91 HydrophobicContact CB-CG1 3.95Å; F75-I91 HydrophobicContact CD1-CB 4.42Å; F75-I91 HydrophobicContact CD1-CD1 3.98Å; F75-I91 HydrophobicContact CD1-CG1 3.21Å; F75-I91 HydrophobicContact CD2-CD1 4Å; F75-I91 HydrophobicContact CD2-CG1 3.71Å; F75-I91 HydrophobicContact CE1-CB 4.28Å; F75-I91 HydrophobicContact CE1-CG1 3.47Å; F75-I91 VanDerWaalsContact CE1-CG1 3.47Å; F75-I91 HydrophobicContact CE2-CG1 3.96Å; F75-I91 HydrophobicContact CG-CD1 3.63Å; F75-I91 HydrophobicContact CG-CG1 3.34Å; F75-I91 HydrophobicContact CZ-CG1 3.84Å; I83-I91 HydrophobicContact CG2-CD1 4.36Å; L88-I91 HydrophobicContact CD1-CB 4.29Å; L88-I91 HydrophobicContact CD1-CD1 3.61Å; L88-I91 HydrophobicContact CD1-CG1 4.49Å; L88-I91 HydrophobicContact CD1-CG2 4.49Å; L88-I91 WeakPolarHBondContact O-CB 3.45Å; L88-I91 PolarHBondContact O-N 3.27Å; V89-I91 VanDerWaalsContact C-N 3.34Å
92L53.8Low60.1Low18 Ų1833.8 Ų33.89%0.09417%0.171CC..SBendtrans-99.5141.6-175-63.8-175.1000113.1L16 F21 L88 T94L16-L92 HydrophobicContact CD1-CD1 4.32Å; L16-L92 HydrophobicContact CD1-CD2 4.34Å; F21-L92 HydrophobicContact CD2-CD1 3.03Å; F21-L92 HydrophobicContact CD2-CG 4.33Å; F21-L92 HydrophobicContact CE2-CD1 3.28Å; F21-L92 HydrophobicContact CE2-CG 4.23Å; F21-L92 HydrophobicContact CG-CD1 4.06Å; F21-L92 HydrophobicContact CZ-CD1 4.5Å; L88-L92 PolarHBondContact O-N 3.19Å; L92-T94 PolarHBondContact O-N 3.25Å; L92-T94 PolarHBondContact O-OG1 3.19Å
93P47.6Very low59.3Low68 Ų6833.2 Ų33.244%0.44217%0.169SC..  trans-68.297.2171.928.4-31.2000108.6
94T51.9Low58.6Low31 Ų3139 Ų3919%0.1920%0.196CC..  trans-101.5109.5174.77.80000108.4L92 E96 N97L92-T94 PolarHBondContact O-N 3.25Å; L92-T94 PolarHBondContact O-OG1 3.19Å; T94-E96 PolarHBondContact O-N 3.11Å; T94-N97 PolarHBondContact O-OD1 2.68Å
95E45.8Very low58.1Low141 Ų14141.1 Ų41.166%0.65921%0.205SC*.SBendtrans-65.9-14.6165.7-72.3-164.4135.700111.6E15E15-E95 HydrophobicContact CG-CG 4.38Å
96E49.1Very low57.8Low62 Ų6240.6 Ų40.629%0.2920%0.202SC..  trans-109.977.5177.9-62.6-164.3124.400111.8T94 F98 Y155T94-E96 PolarHBondContact O-N 3.11Å; E96-F98 HydrophobicContact CB-CD1 4.45Å; E96-F98 WeakPolarHBondContact O-CD1 3.31Å; E96-F98 PolarHBondContact O-N 3.07Å; E96-Y155 WeakPolarHBondContact OE1-CE1 3.48Å; E96-Y155 PolarHBondContact OE1-OH 3.16Å
97N52.9Low57.8Low58 Ų5848.4 Ų48.431%0.3123%0.229SC..THydrogen-bonded Turntrans-58.130.5170.4-64.5-10.8000114.9T94 I100 C101T94-N97 PolarHBondContact O-OD1 2.68Å; N97-I100 HydrophobicContact CB-CB 3.97Å; N97-I100 HydrophobicContact CB-CD1 4.14Å; N97-I100 PolarHBondContact O-N 3.32Å; N97-C101 WeakPolarHBondContact O-CB 3.25Å; N97-C101 PolarHBondContact O-N 3.44Å; N97-C101 PolarHBondContact O-SG 3.5Å
98F54.1Low57.5Low6 Ų649.5 Ų49.53%0.02624%0.237CC..Hα-helixtrans-68.2-36.9-179.983-90000111.6A18 E96 I100 C101 F102 Y155 T158 I159 M162A18-F98 HydrophobicContact CB-CE1 3.68Å; A18-F98 HydrophobicContact CB-CZ 4.36Å; E96-F98 HydrophobicContact CB-CD1 4.45Å; E96-F98 WeakPolarHBondContact O-CD1 3.31Å; E96-F98 PolarHBondContact O-N 3.07Å; F98-I100 VanDerWaalsContact C-N 3.34Å; F98-C101 PolarHBondContact O-N 2.88Å; F98-F102 PolarHBondContact O-N 2.91Å; F98-Y155 HydrophobicContact CD1-CD1 4.22Å; F98-Y155 HydrophobicContact CD1-CE1 4.34Å; F98-Y155 HydrophobicContact CG-CD1 4.34Å; F98-T158 HydrophobicContact CE1-CG2 4.42Å; F98-T158 HydrophobicContact CZ-CG2 4Å; F98-I159 HydrophobicContact CD2-CD1 4.19Å; F98-I159 HydrophobicContact CD2-CG1 4.43Å; F98-I159 HydrophobicContact CE2-CD1 3.81Å; F98-I159 HydrophobicContact CE2-CG1 3.59Å; F98-I159 HydrophobicContact CZ-CG1 4.34Å; F98-M162 HydrophobicContact CZ-CE 4.48Å; F98-M162 HydrophobicContact CZ-SD 4.43Å
99L56.8Low57.6Low17 Ų1749.9 Ų49.99%0.08924%0.24CC..Hα-helixtrans-68.3-34.6173.3-67.4170.6000111.6V89 F102 R103 M162 F163 L179V89-L99 HydrophobicContact CB-CD1 4.5Å; V89-L99 HydrophobicContact CG1-CB 3.89Å; V89-L99 HydrophobicContact CG1-CD1 4.21Å; V89-L99 HydrophobicContact CG2-CB 4.34Å; V89-L99 HydrophobicContact CG2-CD1 3.41Å; V89-L99 VanDerWaalsContact CG2-CD1 3.41Å; V89-L99 HydrophobicContact CG2-CG 4.45Å; L99-F102 WeakPolarHBondContact O-CB 3.33Å; L99-F102 PolarHBondContact O-N 3.48Å; L99-R103 WeakPolarHBondContact O-CB 3.42Å; L99-R103 PolarHBondContact O-N 2.91Å; L99-M162 HydrophobicContact CD1-CE 4.3Å; L99-M162 HydrophobicContact CD1-SD 4.26Å; L99-F163 HydrophobicContact CD2-CE2 4.42Å; L99-L179 HydrophobicContact CD2-CD2 3.71Å
100I57.9Low58Low55 Ų5550 Ų5028%0.28224%0.242SC..Hα-helixtrans-67.1-43.3171.2-66.7168.1000110V89 N97 F98 F102 R103 E104V89-I100 HydrophobicContact CG1-CG1 4.44Å; N97-I100 HydrophobicContact CB-CB 3.97Å; N97-I100 HydrophobicContact CB-CD1 4.14Å; N97-I100 PolarHBondContact O-N 3.32Å; F98-I100 VanDerWaalsContact C-N 3.34Å; I100-F102 VanDerWaalsContact C-N 3.3Å; I100-F102 PolarHBondContact O-N 3.23Å; I100-R103 CarbonylContact O-C 3.55Å; I100-R103 WeakPolarHBondContact O-CB 3.33Å; I100-R103 PolarHBondContact O-N 3.05Å; I100-R103 VanDerWaalsContact O-N 3.15Å; I100-E104 HydrophobicContact CG2-CG 4.21Å; I100-E104 WeakPolarHBondContact O-CB 3.41Å; I100-E104 WeakPolarHBondContact O-CG 2.98Å; I100-E104 PolarHBondContact O-N 3.22Å
101C57.4Low58.8Low9 Ų951.3 Ų51.36%0.06125%0.248CC..Hα-helixtrans-63.5-37176-68.60000111.7N97 F98 E104 F105 L139 A143N97-C101 WeakPolarHBondContact O-CB 3.25Å; N97-C101 PolarHBondContact O-N 3.44Å; N97-C101 PolarHBondContact O-SG 3.5Å; F98-C101 PolarHBondContact O-N 2.88Å; C101-E104 PolarHBondContact O-N 3.38Å; C101-F105 WeakPolarHBondContact O-CB 3.33Å; C101-F105 PolarHBondContact O-N 2.97Å; C101-L139 HydrophobicContact CB-CD2 3.53Å; C101-A143 HydrophobicContact CB-CB 4.35Å
102F60.6Low59.7Low4 Ų450 Ų502%0.01824%0.242CC..Hα-helixtrans-58-49.3170.6-169.7-79.3000111.5F98 L99 I100 F105 V106 F112 F135 L139 M176 L179F98-F102 PolarHBondContact O-N 2.91Å; L99-F102 WeakPolarHBondContact O-CB 3.33Å; L99-F102 PolarHBondContact O-N 3.48Å; I100-F102 VanDerWaalsContact C-N 3.3Å; I100-F102 PolarHBondContact O-N 3.23Å; F102-F105 PolarHBondContact O-N 3.45Å; F102-V106 HydrophobicContact CD1-CG2 4.38Å; F102-V106 HydrophobicContact CE1-CG2 4.13Å; F102-V106 HydrophobicContact CZ-CG2 4.43Å; F102-V106 WeakPolarHBondContact O-CB 3.32Å; F102-V106 WeakPolarHBondContact O-CG2 3.46Å; F102-V106 PolarHBondContact O-N 2.97Å; F102-F112 HydrophobicContact CZ-CE2 4.12Å; F102-F135 AromaticContact CD2-CE1 3.34Å; F102-F135 HydrophobicContact CD2-CE1 3.34Å; F102-F135 AromaticContact CD2-CZ 3.52Å; F102-F135 HydrophobicContact CD2-CZ 3.52Å; F102-F135 HydrophobicContact CE2-CD1 4.27Å; F102-F135 AromaticContact CE2-CE1 3.17Å; F102-F135 HydrophobicContact CE2-CE1 3.17Å; F102-F135 HydrophobicContact CE2-CE2 4.34Å; F102-F135 AromaticContact CE2-CZ 3.21Å; F102-F135 HydrophobicContact CE2-CZ 3.21Å; F102-F135 HydrophobicContact CZ-CE1 4.33Å; F102-F135 HydrophobicContact CZ-CZ 4.02Å; F102-L139 HydrophobicContact CB-CD1 4.05Å; F102-L139 HydrophobicContact CD2-CD1 3.96Å; F102-L139 HydrophobicContact CG-CD1 4.34Å; F102-M176 HydrophobicContact CE2-CE 3.96Å; F102-M176 HydrophobicContact CZ-CE 3.92Å; F102-M176 HydrophobicContact CZ-CG 4.28Å; F102-L179 HydrophobicContact CD1-CB 3.92Å; F102-L179 HydrophobicContact CD1-CD1 4.43Å; F102-L179 HydrophobicContact CD1-CD2 4.5Å; F102-L179 HydrophobicContact CD2-CD1 4.46Å; F102-L179 HydrophobicContact CE1-CB 3.45Å; F102-L179 VanDerWaalsContact CE1-CB 3.45Å; F102-L179 HydrophobicContact CE1-CD1 3.95Å; F102-L179 HydrophobicContact CE1-CG 4.22Å; F102-L179 HydrophobicContact CE2-CD1 3.96Å; F102-L179 HydrophobicContact CZ-CB 4.03Å; F102-L179 HydrophobicContact CZ-CD1 3.7Å; F102-L179 HydrophobicContact CZ-CG 4.45Å
103R60.2Low60.7Low76 Ų7649.2 Ų49.229%0.28724%0.237SC..Hα-helixtrans-65.7-37.9177.4-175.4-178.7175.4169.87.1113.6L99 I100 F105 V106L99-R103 WeakPolarHBondContact O-CB 3.42Å; L99-R103 PolarHBondContact O-N 2.91Å; I100-R103 CarbonylContact O-C 3.55Å; I100-R103 WeakPolarHBondContact O-CB 3.33Å; I100-R103 PolarHBondContact O-N 3.05Å; I100-R103 VanDerWaalsContact O-N 3.15Å; R103-F105 VanDerWaalsContact C-N 3.28Å; R103-V106 CarbonylContact O-C 3.55Å; R103-V106 VanDerWaalsContact O-O 3.08Å
104E61.7Low62.1Low122 Ų12250.7 Ų50.757%0.5724%0.241SC*.Hα-helixtrans-69.8-31.2176.9-76.5-172.8151.900112.1I100 C101 R107I100-E104 HydrophobicContact CG2-CG 4.21Å; I100-E104 WeakPolarHBondContact O-CB 3.41Å; I100-E104 WeakPolarHBondContact O-CG 2.98Å; I100-E104 PolarHBondContact O-N 3.22Å; C101-E104 PolarHBondContact O-N 3.38Å; E104-R107 WeakPolarHBondContact O-CG 3.14Å; E104-R107 PolarHBondContact O-NE 3.43Å
105F60.3Low63.3Low51 Ų5149.7 Ų49.722%0.22424%0.237CC..Hα-helixtrans-79.2-30.7178.9-173.9-110.9000112.6C101 F102 R103 F135 L139 K142C101-F105 WeakPolarHBondContact O-CB 3.33Å; C101-F105 PolarHBondContact O-N 2.97Å; F102-F105 PolarHBondContact O-N 3.45Å; R103-F105 VanDerWaalsContact C-N 3.28Å; F105-F135 HydrophobicContact CD1-CE2 4.18Å; F105-F135 HydrophobicContact CD1-CZ 4.26Å; F105-F135 HydrophobicContact CE1-CE2 4.13Å; F105-L139 HydrophobicContact CB-CD1 4.28Å; F105-L139 HydrophobicContact CB-CG 4.25Å; F105-L139 HydrophobicContact CD1-CD1 4.29Å; F105-L139 HydrophobicContact CD1-CG 4.49Å; F105-L139 HydrophobicContact CG-CD1 4.5Å; F105-L139 HydrophobicContact CG-CG 4.37Å; F105-K142 HydrophobicContact CD2-CD 3.74Å; F105-K142 HydrophobicContact CE2-CD 3.17Å; F105-K142 HydrophobicContact CZ-CD 3.94Å
106V62.8Low64.9Low2 Ų243.2 Ų43.21%0.01221%0.206CC..  trans-114.885.6-179.2-171.70000109.2F102 R103 F112 L180F102-V106 HydrophobicContact CD1-CG2 4.38Å; F102-V106 HydrophobicContact CE1-CG2 4.13Å; F102-V106 HydrophobicContact CZ-CG2 4.43Å; F102-V106 WeakPolarHBondContact O-CB 3.32Å; F102-V106 WeakPolarHBondContact O-CG2 3.46Å; F102-V106 PolarHBondContact O-N 2.97Å; R103-V106 CarbonylContact O-C 3.55Å; R103-V106 VanDerWaalsContact O-O 3.08Å; V106-F112 HydrophobicContact CG1-CB 3.34Å; V106-F112 HydrophobicContact CG1-CD2 3.83Å; V106-F112 HydrophobicContact CG1-CG 4.03Å; V106-F112 HydrophobicContact CG2-CD2 4.48Å; V106-L180 HydrophobicContact CB-CD2 4.31Å; V106-L180 HydrophobicContact CG1-CD2 3.42Å; V106-L180 VanDerWaalsContact CG1-CD2 3.42Å
107R62.1Low66.3Low184 Ų18443.2 Ų43.269%0.69420%0.203SC*.  trans-86.8-23.5-173.8-62.6-177.2179-175.3-4113.1E104 E111E104-R107 WeakPolarHBondContact O-CG 3.14Å; E104-R107 PolarHBondContact O-NE 3.43Å; R107-E111 WeakPolarHBondContact CB-OE2 3.28Å; R107-E111 PolarHBondContact N-OE2 2.86Å
108S67.2Low67.7Low29 Ų2948.1 Ų48.120%0.20322%0.218CC..SBendtrans-134.2157.3174.368.30000113.6A110 E111 F112 E184S108-A110 PolarHBondContact O-N 3.33Å; S108-E111 PolarHBondContact O-N 3.46Å; S108-E111 WeakPolarHBondContact OG-CG 3.1Å; S108-E111 PolarHBondContact OG-N 3.35Å; S108-F112 PolarHBondContact O-N 3.28Å; S108-E184 WeakPolarHBondContact CA-OE2 3.44Å; S108-E184 WeakPolarHBondContact CB-OE2 3.37Å
109S68.7Low69Low7 Ų748.9 Ų48.95%0.04922%0.221CC..Hα-helixtrans-60-32.9173.754.20000112.6F112 M113 E184 S246S109-F112 VanDerWaalsContact O-CB 3.31Å; S109-F112 WeakPolarHBondContact O-CB 3.44Å; S109-F112 PolarHBondContact O-N 2.98Å; S109-M113 VanDerWaalsContact O-CG 3.25Å; S109-M113 WeakPolarHBondContact O-CG 3.45Å; S109-M113 PolarHBondContact O-N 2.67Å; S109-E184 VanDerWaalsContact CB-O 3.32Å; S109-E184 WeakPolarHBondContact CB-O 3.39Å; S109-E184 PolarHBondContact N-OE2 3.26Å; S109-E184 VanDerWaalsContact N-OE2 3.11Å; S109-E184 PolarHBondContact OG-O 3.18Å; S109-S246 PolarHBondContact OG-OG 3.02Å
110A71.5Confident70.2Confident16 Ų1648.4 Ų48.413%0.13222%0.218CC..Hα-helixtrans-67.1-42.1174.100000112.9S108 F112 M113 D114 K245 S246 A249S108-A110 PolarHBondContact O-N 3.33Å; A110-F112 VanDerWaalsContact C-N 3.27Å; A110-F112 PolarHBondContact O-N 3.07Å; A110-M113 PolarHBondContact O-N 2.88Å; A110-D114 PolarHBondContact O-N 3.18Å; A110-K245 HydrophobicContact CB-CG 4.39Å; A110-S246 PolarHBondContact N-OG 3.02Å; A110-A249 HydrophobicContact CB-CB 4.21Å; A110-A249 WeakPolarHBondContact O-CB 3.3Å
111E75.5Confident71.2Confident94 Ų9451.1 Ų51.144%0.43924%0.237SC..Hα-helixtrans-63.8-35.2173.8-74.2176.6-177.200111.7R107 S108 A115R107-E111 WeakPolarHBondContact CB-OE2 3.28Å; R107-E111 PolarHBondContact N-OE2 2.86Å; S108-E111 PolarHBondContact O-N 3.46Å; S108-E111 WeakPolarHBondContact OG-CG 3.1Å; S108-E111 PolarHBondContact OG-N 3.35Å; E111-A115 WeakPolarHBondContact O-CB 3.33Å; E111-A115 PolarHBondContact O-N 2.94Å
112F75.4Confident72.3Confident1 Ų155 Ų550%0.00426%0.257CS..Hα-helixtrans-61-49.5173179.1-108.9000111.7F102 V106 S108 S109 A110 D114 A115 W116 L173 M176 L180 L187F102-F112 HydrophobicContact CZ-CE2 4.12Å; V106-F112 HydrophobicContact CG1-CB 3.34Å; V106-F112 HydrophobicContact CG1-CD2 3.83Å; V106-F112 HydrophobicContact CG1-CG 4.03Å; V106-F112 HydrophobicContact CG2-CD2 4.48Å; S108-F112 PolarHBondContact O-N 3.28Å; S109-F112 VanDerWaalsContact O-CB 3.31Å; S109-F112 WeakPolarHBondContact O-CB 3.44Å; S109-F112 PolarHBondContact O-N 2.98Å; A110-F112 VanDerWaalsContact C-N 3.27Å; A110-F112 PolarHBondContact O-N 3.07Å; F112-D114 PolarHBondContact O-N 3.47Å; F112-A115 CarbonylContact O-C 3.56Å; F112-A115 PolarHBondContact O-N 3.36Å; F112-W116 HydrophobicContact CE1-CE3 4.19Å; F112-W116 HydrophobicContact CE2-CE3 4.38Å; F112-W116 AromaticContact CZ-CE3 3.68Å; F112-W116 HydrophobicContact CZ-CE3 3.68Å; F112-W116 HydrophobicContact CZ-CZ3 4.15Å; F112-W116 WeakPolarHBondContact O-CB 3.41Å; F112-W116 PolarHBondContact O-N 2.89Å; F112-L173 HydrophobicContact CE1-CD1 4Å; F112-M176 HydrophobicContact CE2-CB 4.49Å; F112-M176 HydrophobicContact CE2-CE 3.97Å; F112-M176 HydrophobicContact CE2-CG 3.69Å; F112-M176 HydrophobicContact CZ-CB 3.94Å; F112-M176 HydrophobicContact CZ-CE 4.48Å; F112-M176 HydrophobicContact CZ-CG 3.62Å; F112-L180 HydrophobicContact CB-CD1 4.03Å; F112-L180 HydrophobicContact CB-CD2 3.83Å; F112-L180 HydrophobicContact CD1-CD1 3.71Å; F112-L180 HydrophobicContact CD1-CD2 4.48Å; F112-L180 HydrophobicContact CD1-CG 4.43Å; F112-L180 HydrophobicContact CD2-CD1 4.43Å; F112-L180 HydrophobicContact CD2-CD2 3.75Å; F112-L180 HydrophobicContact CD2-CG 4.34Å; F112-L180 HydrophobicContact CE1-CD1 4.27Å; F112-L180 HydrophobicContact CE2-CD2 4.44Å; F112-L180 HydrophobicContact CG-CD1 3.79Å; F112-L180 HydrophobicContact CG-CD2 3.75Å; F112-L180 HydrophobicContact CG-CG 4.17Å; F112-L187 HydrophobicContact CD1-CD1 4.32Å; F112-L187 HydrophobicContact CE1-CD1 3.95Å
113M75.3Confident73Confident0 Ų059.4 Ų59.40%027%0.274CS..Hα-helixtrans-67.2-36.5-177.6-62.2-48.3-72.600111.9S109 A110 W116 R117 L173 F186 L187 S246 A249 L250S109-M113 VanDerWaalsContact O-CG 3.25Å; S109-M113 WeakPolarHBondContact O-CG 3.45Å; S109-M113 PolarHBondContact O-N 2.67Å; A110-M113 PolarHBondContact O-N 2.88Å; M113-W116 WeakPolarHBondContact O-CB 3.41Å; M113-W116 PolarHBondContact O-N 3.38Å; M113-R117 WeakPolarHBondContact O-CB 3.23Å; M113-R117 PolarHBondContact O-N 2.83Å; M113-L173 HydrophobicContact CE-CD1 3.72Å; M113-L173 HydrophobicContact CE-CD2 3.68Å; M113-L173 HydrophobicContact CE-CG 4.31Å; M113-L173 HydrophobicContact SD-CD1 3.94Å; M113-L173 HydrophobicContact SD-CD2 4.37Å; M113-F186 HydrophobicContact CE-CZ 4.16Å; M113-F186 HydrophobicContact CG-CE1 3.99Å; M113-F186 HydrophobicContact CG-CZ 3.93Å; M113-F186 HydrophobicContact SD-CE1 3.96Å; M113-F186 HydrophobicContact SD-CZ 3.73Å; M113-L187 HydrophobicContact SD-CD1 4.01Å; M113-S246 WeakPolarHBondContact CG-O 3.48Å; M113-A249 HydrophobicContact CB-CB 3.88Å; M113-L250 HydrophobicContact CB-CD2 4.26Å; M113-L250 HydrophobicContact CB-CG 4.21Å; M113-L250 HydrophobicContact CE-CD1 3.19Å; M113-L250 HydrophobicContact CE-CD2 3.47Å; M113-L250 VanDerWaalsContact CE-CD2 3.47Å; M113-L250 HydrophobicContact CE-CG 3.23Å
114D77.3Confident73.9Confident99 Ų9958 Ų5853%0.52928%0.275SS..Hα-helixtrans-65.4-42.8173.4-174.857.2000111.3A110 F112 R118A110-D114 PolarHBondContact O-N 3.18Å; F112-D114 PolarHBondContact O-N 3.47Å; D114-R118 WeakPolarHBondContact O-CB 3.47Å; D114-R118 PolarHBondContact O-N 2.98Å; D114-R118 VanDerWaalsContact O-N 3.13Å
115A77.7Confident74.7Confident11 Ų1152.4 Ų52.49%0.09125%0.251CS..Hα-helixtrans-62.3-48172.500000111E111 F112 R117 R118 Y119E111-A115 WeakPolarHBondContact O-CB 3.33Å; E111-A115 PolarHBondContact O-N 2.94Å; F112-A115 CarbonylContact O-C 3.56Å; F112-A115 PolarHBondContact O-N 3.36Å; A115-R117 PolarHBondContact O-N 3.48Å; A115-R118 WeakPolarHBondContact O-CB 3.42Å; A115-R118 PolarHBondContact O-N 3.17Å; A115-Y119 HydrophobicContact CB-CE2 4.45Å; A115-Y119 WeakPolarHBondContact O-CD2 3.4Å; A115-Y119 PolarHBondContact O-N 3.39Å; A115-Y119 VanDerWaalsContact O-N 3.12Å
116W77.8Confident75.7Confident4 Ų451.7 Ų51.72%0.01525%0.247CC..Hα-helixtrans-50.9-55.9177.7-177.6-83.5000110.9F112 M113 R118 Y119 D120 G125 I127 L171 G172 L173 M176F112-W116 HydrophobicContact CE1-CE3 4.19Å; F112-W116 HydrophobicContact CE2-CE3 4.38Å; F112-W116 AromaticContact CZ-CE3 3.68Å; F112-W116 HydrophobicContact CZ-CE3 3.68Å; F112-W116 HydrophobicContact CZ-CZ3 4.15Å; F112-W116 WeakPolarHBondContact O-CB 3.41Å; F112-W116 PolarHBondContact O-N 2.89Å; M113-W116 WeakPolarHBondContact O-CB 3.41Å; M113-W116 PolarHBondContact O-N 3.38Å; W116-R118 PolarHBondContact O-N 3.44Å; W116-R118 VanDerWaalsContact O-N 3.15Å; W116-Y119 PolarHBondContact O-N 2.93Å; W116-D120 PolarHBondContact NE1-OD2 2.85Å; W116-D120 WeakPolarHBondContact O-CB 3.25Å; W116-D120 PolarHBondContact O-N 2.63Å; W116-G125 WeakPolarHBondContact CZ2-O 3.47Å; W116-I127 HydrophobicContact CD2-CD1 4.31Å; W116-I127 HydrophobicContact CD2-CG1 4.02Å; W116-I127 HydrophobicContact CE3-CD1 4.38Å; W116-I127 HydrophobicContact CE3-CG1 3.73Å; W116-I127 HydrophobicContact CH2-CB 4.28Å; W116-I127 HydrophobicContact CH2-CG1 3.55Å; W116-I127 HydrophobicContact CZ2-CG1 3.83Å; W116-I127 HydrophobicContact CZ3-CB 4.39Å; W116-I127 HydrophobicContact CZ3-CG1 3.46Å; W116-I127 VanDerWaalsContact CZ3-CG1 3.46Å; W116-L171 VanDerWaalsContact CH2-O 3.28Å; W116-L171 WeakPolarHBondContact CH2-O 3.38Å; W116-G172 VanDerWaalsContact CH2-C 3.45Å; W116-L173 HydrophobicContact CB-CD1 4.5Å; W116-L173 HydrophobicContact CD2-CD1 3.4Å; W116-L173 VanDerWaalsContact CE2-CD1 3.48Å; W116-L173 HydrophobicContact CE3-CD1 3.83Å; W116-L173 HydrophobicContact CG-CD1 3.71Å; W116-L173 HydrophobicContact CH2-CB 4.25Å; W116-L173 HydrophobicContact CH2-CD1 4.29Å; W116-L173 HydrophobicContact CZ2-CB 3.99Å; W116-L173 HydrophobicContact CZ2-CD1 3.94Å; W116-L173 HydrophobicContact CZ3-CD1 4.27Å; W116-M176 HydrophobicContact CE3-CB 4.38Å; W116-M176 HydrophobicContact CE3-CE 4.15Å; W116-M176 HydrophobicContact CE3-CG 4.32Å; W116-M176 HydrophobicContact CE3-SD 4.22Å; W116-M176 HydrophobicContact CH2-CB 4.23Å; W116-M176 HydrophobicContact CZ3-CB 3.49Å; W116-M176 VanDerWaalsContact CZ3-CB 3.49Å; W116-M176 HydrophobicContact CZ3-CE 4.15Å; W116-M176 HydrophobicContact CZ3-CG 3.75Å; W116-M176 HydrophobicContact CZ3-SD 3.62Å
117R79.2Confident76.7Confident62 Ų6251.6 Ų51.623%0.23425%0.246CC..Hα-helixtrans-58.4-30.4179.3-176.4177.2178.8-133-17.8113.4M113 A115 L250 A251 D252M113-R117 WeakPolarHBondContact O-CB 3.23Å; M113-R117 PolarHBondContact O-N 2.83Å; A115-R117 PolarHBondContact O-N 3.48Å; R117-L250 HydrophobicContact CB-CD2 4.32Å; R117-L250 VanDerWaalsContact CD-O 3.28Å; R117-L250 WeakPolarHBondContact CD-O 3.37Å; R117-L250 PolarHBondContact NE-O 2.67Å; R117-A251 PolarHBondContact NH1-O 3.06Å; R117-D252 IonicContact CZ-OD1 3.19Å; R117-D252 VanDerWaalsContact NH2-CA 3.31Å; R117-D252 IonicContact NH2-OD1 2.76Å; R117-D252 PolarHBondContact NH2-OD1 2.91Å; R117-D252 IonicContact NH2-OD2 3.23Å; R117-D252 PolarHBondContact NH2-OD2 3.47Å
118R81.9Confident77.8Confident162 Ų16247 Ų4761%0.61123%0.232SC*.Hα-helixtrans-74.5-31.7178178.2176.2174.7161.70.2112.8D114 A115 W116D114-R118 WeakPolarHBondContact O-CB 3.47Å; D114-R118 PolarHBondContact O-N 2.98Å; D114-R118 VanDerWaalsContact O-N 3.13Å; A115-R118 WeakPolarHBondContact O-CB 3.42Å; A115-R118 PolarHBondContact O-N 3.17Å; W116-R118 PolarHBondContact O-N 3.44Å; W116-R118 VanDerWaalsContact O-N 3.15Å
119Y81.8Confident78.6Confident22 Ų2247.3 Ų47.39%0.08624%0.235CC..Hα-helixtrans-99.2-26-176.8-65.8-75.9000113.7A115 W116 T121 E131 F135 D138A115-Y119 HydrophobicContact CB-CE2 4.45Å; A115-Y119 WeakPolarHBondContact O-CD2 3.4Å; A115-Y119 PolarHBondContact O-N 3.39Å; A115-Y119 VanDerWaalsContact O-N 3.12Å; W116-Y119 PolarHBondContact O-N 2.93Å; Y119-T121 PolarHBondContact O-N 3.16Å; Y119-E131 WeakPolarHBondContact O-CB 3.27Å; Y119-E131 VanDerWaalsContact O-CG 3.3Å; Y119-E131 WeakPolarHBondContact O-CG 3.47Å; Y119-F135 HydrophobicContact CD1-CB 3.85Å; Y119-F135 HydrophobicContact CD2-CB 3.98Å; Y119-F135 AromaticContact CD2-CD2 3.49Å; Y119-F135 HydrophobicContact CD2-CD2 3.49Å; Y119-F135 VanDerWaalsContact CD2-CD2 3.49Å; Y119-F135 HydrophobicContact CD2-CE2 4.49Å; Y119-F135 HydrophobicContact CD2-CG 4.21Å; Y119-F135 VanDerWaalsContact CE1-CA 3.41Å; Y119-F135 HydrophobicContact CE1-CB 4.03Å; Y119-F135 HydrophobicContact CE2-CB 4.17Å; Y119-F135 AromaticContact CE2-CD2 3.41Å; Y119-F135 HydrophobicContact CE2-CD2 3.41Å; Y119-F135 VanDerWaalsContact CE2-CD2 3.41Å; Y119-F135 HydrophobicContact CE2-CE2 4.26Å; Y119-F135 HydrophobicContact CE2-CG 4.24Å; Y119-F135 HydrophobicContact CG-CB 3.83Å; Y119-F135 HydrophobicContact CG-CD2 4.22Å; Y119-D138 WeakPolarHBondContact OH-CB 3.38Å; Y119-D138 PolarHBondContact OH-OD2 3.38Å
120D82.3Confident79.4Confident6 Ų653 Ų533%0.03227%0.265CS..  trans-74.375.7166-179.44.3000108.6W116 D122 R123 S124 G125 I127W116-D120 PolarHBondContact NE1-OD2 2.85Å; W116-D120 WeakPolarHBondContact O-CB 3.25Å; W116-D120 PolarHBondContact O-N 2.63Å; D120-D122 VanDerWaalsContact C-N 3.31Å; D120-D122 PolarHBondContact O-N 3.29Å; D120-D122 VanDerWaalsContact OD1-OD1 3.07Å; D120-R123 PolarHBondContact O-N 3.31Å; D120-R123 WeakPolarHBondContact OD1-CA 3.4Å; D120-R123 PolarHBondContact OD1-N 3.27Å; D120-S124 PolarHBondContact OD1-N 3.07Å; D120-S124 PolarHBondContact OD1-OG 3.23Å; D120-G125 VanDerWaalsContact OD2-CA 3.29Å; D120-G125 WeakPolarHBondContact OD2-CA 3.37Å; D120-G125 PolarHBondContact OD2-N 2.89Å; D120-I127 HydrophobicContact CB-CD1 3.8Å
121T78.9Confident80.1Confident113 Ų11353.3 Ų53.369%0.69326%0.263SS*.THydrogen-bonded Turntrans-72.3-28.5-168.552.60000112.6Y119 E131Y119-T121 PolarHBondContact O-N 3.16Å; T121-E131 PolarHBondContact N-OE1 3.45Å; T121-E131 PolarHBondContact OG1-OE1 3.19Å
122D80.2Confident80.4Confident90 Ų9048.8 Ų48.848%0.48124%0.243SC..THydrogen-bonded Turntrans-92-2.8177.871.3-7.1000113.2D120 S124D120-D122 VanDerWaalsContact C-N 3.31Å; D120-D122 PolarHBondContact O-N 3.29Å; D120-D122 VanDerWaalsContact OD1-OD1 3.07Å; D122-S124 PolarHBondContact O-N 2.74Å; D122-S124 WeakPolarHBondContact OD1-CB 2.91Å; D122-S124 PolarHBondContact OD1-N 2.79Å; D122-S124 PolarHBondContact OD1-OG 3.42Å
123R75.6Confident80.8Confident97 Ų9751.7 Ų51.737%0.36626%0.255SS..  trans54.734.3-176.1-54.1-171.5-174.1-168.35.8111.6D120 G125 D252 E260D120-R123 PolarHBondContact O-N 3.31Å; D120-R123 WeakPolarHBondContact OD1-CA 3.4Å; D120-R123 PolarHBondContact OD1-N 3.27Å; R123-G125 PolarHBondContact O-N 3.45Å; R123-D252 IonicContact CZ-OD2 3.18Å; R123-D252 IonicContact NH1-OD2 3.45Å; R123-D252 IonicContact NH2-OD2 2.6Å; R123-D252 PolarHBondContact NH2-OD2 2.89Å; R123-E260 IonicContact CZ-OE1 3.7Å; R123-E260 IonicContact NH1-OE1 2.74Å; R123-E260 PolarHBondContact NH1-OE1 3.42Å
124S79.4Confident81.2Confident45 Ų4553.1 Ų53.132%0.31527%0.27SS..  trans-69.2-19.1176.7630000112D120 D122 Y126D120-S124 PolarHBondContact OD1-N 3.07Å; D120-S124 PolarHBondContact OD1-OG 3.23Å; D122-S124 PolarHBondContact O-N 2.74Å; D122-S124 WeakPolarHBondContact OD1-CB 2.91Å; D122-S124 PolarHBondContact OD1-N 2.79Å; D122-S124 PolarHBondContact OD1-OG 3.42Å; S124-Y126 VanDerWaalsContact C-N 3.28Å; S124-Y126 VanDerWaalsContact O-CD2 3.27Å; S124-Y126 WeakPolarHBondContact O-CD2 3.5Å; S124-Y126 PolarHBondContact OG-N 2.83Å; S124-Y126 PolarHBondContact OG-O 3.48Å
125G77.2Confident81.3Confident5 Ų548.6 Ų48.65%0.05225%0.246CC..SBendtrans82.98.9-172.100000113.6W116 D120 R123W116-G125 WeakPolarHBondContact CZ2-O 3.47Å; D120-G125 VanDerWaalsContact OD2-CA 3.29Å; D120-G125 WeakPolarHBondContact OD2-CA 3.37Å; D120-G125 PolarHBondContact OD2-N 2.89Å; R123-G125 PolarHBondContact O-N 3.45Å
126Y83.1Confident81.2Confident36 Ų3648.3 Ų48.314%0.14124%0.242CC..EExtended strand (participates in β ladder)trans-132.2147.2178-59.1-87.2000109.5S124 K170 L171 D268S124-Y126 VanDerWaalsContact C-N 3.28Å; S124-Y126 VanDerWaalsContact O-CD2 3.27Å; S124-Y126 WeakPolarHBondContact O-CD2 3.5Å; S124-Y126 PolarHBondContact OG-N 2.83Å; S124-Y126 PolarHBondContact OG-O 3.48Å; Y126-K170 HydrophobicContact CD1-CD 3.63Å; Y126-K170 VanDerWaalsContact CD1-CE 3.46Å; Y126-K170 HydrophobicContact CD1-CG 3.97Å; Y126-K170 HydrophobicContact CD2-CD 4.11Å; Y126-K170 VanDerWaalsContact CD2-NZ 3.3Å; Y126-K170 HydrophobicContact CE1-CD 4.32Å; Y126-K170 HydrophobicContact CG-CD 3.53Å; Y126-K170 HydrophobicContact CG-CG 4.21Å; Y126-K170 VanDerWaalsContact CZ-NZ 3.28Å; Y126-L171 CarbonylContact C-O 3.52Å; Y126-L171 WeakPolarHBondContact CA-O 3.49Å; Y126-D268 WeakPolarHBondContact CE1-OD1 3.35Å; Y126-D268 VanDerWaalsContact CZ-OD1 3.29Å; Y126-D268 PolarHBondContact OH-OD1 2.91Å
127I83.2Confident81.4Confident1 Ų148.9 Ų48.91%0.00525%0.247CC..EExtended strand (participates in β ladder)trans-97.5108.6169.7-62.5-66.3000107.8W116 D120 E131 L132 L171 M176W116-I127 HydrophobicContact CD2-CD1 4.31Å; W116-I127 HydrophobicContact CD2-CG1 4.02Å; W116-I127 HydrophobicContact CE3-CD1 4.38Å; W116-I127 HydrophobicContact CE3-CG1 3.73Å; W116-I127 HydrophobicContact CH2-CB 4.28Å; W116-I127 HydrophobicContact CH2-CG1 3.55Å; W116-I127 HydrophobicContact CZ2-CG1 3.83Å; W116-I127 HydrophobicContact CZ3-CB 4.39Å; W116-I127 HydrophobicContact CZ3-CG1 3.46Å; W116-I127 VanDerWaalsContact CZ3-CG1 3.46Å; D120-I127 HydrophobicContact CB-CD1 3.8Å; I127-E131 HydrophobicContact CG2-CB 3.98Å; I127-L132 HydrophobicContact CG2-CB 3.77Å; I127-L132 HydrophobicContact CG2-CD1 4.42Å; I127-L171 HydrophobicContact CB-CB 4.4Å; I127-L171 PolarHBondContact N-O 3.2Å; I127-L171 PolarHBondContact O-N 3.26Å; I127-M176 HydrophobicContact CG1-SD 4.49Å
128E85.7Confident81.4Confident86 Ų8648 Ų4840%0.40225%0.247SC..EExtended strand (participates in β ladder)trans-73.4164175.7-63.9-169.9167.200111.7N130 E131 L132E128-N130 PolarHBondContact O-N 3.01Å; E128-N130 VanDerWaalsContact O-N 3.1Å; E128-E131 PolarHBondContact N-OE2 2.84Å; E128-E131 VanDerWaalsContact N-OE2 3.11Å; E128-E131 PolarHBondContact O-N 2.6Å; E128-L132 WeakPolarHBondContact O-CB 3.29Å; E128-L132 PolarHBondContact O-N 3.15Å
129S83.9Confident81Confident36 Ų3640.4 Ų40.425%0.25222%0.219SC..Hα-helixtrans-51.3-38.2178.5-1700000113.6K133 T156S129-K133 WeakPolarHBondContact O-CB 3.47Å; S129-K133 PolarHBondContact O-N 3.01Å; S129-T156 WeakPolarHBondContact OG-CG2 3.33Å
130N84.3Confident80.6Confident128 Ų12839.6 Ų39.668%0.68422%0.216SC*.Hα-helixtrans-69.6-39.8178.9-66-38000112.4E128 K133 G134E128-N130 PolarHBondContact O-N 3.01Å; E128-N130 VanDerWaalsContact O-N 3.1Å; N130-K133 WeakPolarHBondContact O-CB 3.28Å; N130-K133 PolarHBondContact O-N 3.18Å; N130-G134 PolarHBondContact O-N 3.03Å
131E86.8Confident80.4Confident21 Ų2144.7 Ų44.710%0.09824%0.238CC..Hα-helixtrans-72.6-41.1179-66.2178.9138.400110.9Y119 T121 I127 E128 K133 G134 F135Y119-E131 WeakPolarHBondContact O-CB 3.27Å; Y119-E131 VanDerWaalsContact O-CG 3.3Å; Y119-E131 WeakPolarHBondContact O-CG 3.47Å; T121-E131 PolarHBondContact N-OE1 3.45Å; T121-E131 PolarHBondContact OG1-OE1 3.19Å; I127-E131 HydrophobicContact CG2-CB 3.98Å; E128-E131 PolarHBondContact N-OE2 2.84Å; E128-E131 VanDerWaalsContact N-OE2 3.11Å; E128-E131 PolarHBondContact O-N 2.6Å; E131-K133 VanDerWaalsContact C-N 3.26Å; E131-K133 PolarHBondContact O-N 3.05Å; E131-G134 WeakPolarHBondContact O-CA 3.16Å; E131-G134 PolarHBondContact O-N 3.43Å; E131-G134 VanDerWaalsContact O-N 3.07Å; E131-F135 PolarHBondContact O-N 2.9Å
132L82.3Confident79.9Confident0 Ų045.4 Ų45.40%023%0.231CC..Hα-helixtrans-58.4-40.5172-174.956.1000111.1I127 E128 G134 F135 L136 T156 I159 L160 L171I127-L132 HydrophobicContact CG2-CB 3.77Å; I127-L132 HydrophobicContact CG2-CD1 4.42Å; E128-L132 WeakPolarHBondContact O-CB 3.29Å; E128-L132 PolarHBondContact O-N 3.15Å; L132-G134 VanDerWaalsContact C-N 3.32Å; L132-G134 PolarHBondContact O-N 2.73Å; L132-F135 HydrophobicContact CD1-CD1 4.22Å; L132-F135 PolarHBondContact O-N 3.34Å; L132-L136 HydrophobicContact CD1-CD1 4.41Å; L132-L136 HydrophobicContact CD1-CG 4.26Å; L132-L136 HydrophobicContact CG-CD1 4.13Å; L132-L136 HydrophobicContact CG-CG 4.42Å; L132-L136 WeakPolarHBondContact O-CB 3.47Å; L132-L136 VanDerWaalsContact O-CG 3.27Å; L132-L136 WeakPolarHBondContact O-CG 3.48Å; L132-L136 PolarHBondContact O-N 2.72Å; L132-T156 HydrophobicContact CB-CG2 4.32Å; L132-T156 HydrophobicContact CD2-CG2 3.95Å; L132-T156 HydrophobicContact CG-CG2 4.22Å; L132-I159 HydrophobicContact CD1-CG2 4.39Å; L132-I159 HydrophobicContact CD2-CB 4.12Å; L132-I159 HydrophobicContact CD2-CG2 3.95Å; L132-L160 HydrophobicContact CD2-CD2 4.3Å; L132-L160 HydrophobicContact CD2-CG 4.03Å; L132-L171 HydrophobicContact CD1-CD1 4.16Å; L132-L171 HydrophobicContact CD2-CD1 3.78Å
133K83.6Confident79.2Confident61 Ų6143 Ų4327%0.26522%0.224SC..Hα-helixtrans-61.2-41.6175.5-162.9-179.3176.4-175.60111.5S129 N130 E131 S137 D149 L152S129-K133 WeakPolarHBondContact O-CB 3.47Å; S129-K133 PolarHBondContact O-N 3.01Å; N130-K133 WeakPolarHBondContact O-CB 3.28Å; N130-K133 PolarHBondContact O-N 3.18Å; E131-K133 VanDerWaalsContact C-N 3.26Å; E131-K133 PolarHBondContact O-N 3.05Å; K133-S137 VanDerWaalsContact O-CB 3.32Å; K133-S137 WeakPolarHBondContact O-CB 3.47Å; K133-S137 PolarHBondContact O-N 3.3Å; K133-D149 WeakPolarHBondContact CE-OD1 3.43Å; K133-D149 IonicContact NZ-OD1 3.07Å; K133-D149 PolarHBondContact NZ-OD1 2.78Å; K133-L152 HydrophobicContact CD-CD2 4.23Å; K133-L152 HydrophobicContact CD-CG 4.45Å; K133-L152 VanDerWaalsContact CE-CD2 3.46Å; K133-L152 HydrophobicContact CG-CD1 4.47Å; K133-L152 HydrophobicContact CG-CD2 3.6Å; K133-L152 HydrophobicContact CG-CG 3.69Å
134G82.4Confident78.9Confident31 Ų3145.7 Ų45.732%0.3225%0.246SC..Hα-helixtrans-62.5-48.2174.400000112.5N130 E131 L132 L136 S137 D138N130-G134 PolarHBondContact O-N 3.03Å; E131-G134 WeakPolarHBondContact O-CA 3.16Å; E131-G134 PolarHBondContact O-N 3.43Å; E131-G134 VanDerWaalsContact O-N 3.07Å; L132-G134 VanDerWaalsContact C-N 3.32Å; L132-G134 PolarHBondContact O-N 2.73Å; G134-L136 PolarHBondContact O-N 3.08Å; G134-S137 WeakPolarHBondContact O-CB 3.25Å; G134-S137 PolarHBondContact O-N 3.38Å; G134-D138 PolarHBondContact O-N 2.94Å; G134-D138 VanDerWaalsContact O-N 3.08Å
135F79.3Confident78.4Confident4 Ų447.7 Ų47.72%0.01825%0.246CC..Hα-helixtrans-56.3-49.9175.4169.9-89.7000112F102 F105 Y119 E131 L132 S137 D138 L139F102-F135 AromaticContact CD2-CE1 3.34Å; F102-F135 HydrophobicContact CD2-CE1 3.34Å; F102-F135 AromaticContact CD2-CZ 3.52Å; F102-F135 HydrophobicContact CD2-CZ 3.52Å; F102-F135 HydrophobicContact CE2-CD1 4.27Å; F102-F135 AromaticContact CE2-CE1 3.17Å; F102-F135 HydrophobicContact CE2-CE1 3.17Å; F102-F135 HydrophobicContact CE2-CE2 4.34Å; F102-F135 AromaticContact CE2-CZ 3.21Å; F102-F135 HydrophobicContact CE2-CZ 3.21Å; F102-F135 HydrophobicContact CZ-CE1 4.33Å; F102-F135 HydrophobicContact CZ-CZ 4.02Å; F105-F135 HydrophobicContact CD1-CE2 4.18Å; F105-F135 HydrophobicContact CD1-CZ 4.26Å; F105-F135 HydrophobicContact CE1-CE2 4.13Å; Y119-F135 HydrophobicContact CD1-CB 3.85Å; Y119-F135 HydrophobicContact CD2-CB 3.98Å; Y119-F135 AromaticContact CD2-CD2 3.49Å; Y119-F135 HydrophobicContact CD2-CD2 3.49Å; Y119-F135 VanDerWaalsContact CD2-CD2 3.49Å; Y119-F135 HydrophobicContact CD2-CE2 4.49Å; Y119-F135 HydrophobicContact CD2-CG 4.21Å; Y119-F135 VanDerWaalsContact CE1-CA 3.41Å; Y119-F135 HydrophobicContact CE1-CB 4.03Å; Y119-F135 HydrophobicContact CE2-CB 4.17Å; Y119-F135 AromaticContact CE2-CD2 3.41Å; Y119-F135 HydrophobicContact CE2-CD2 3.41Å; Y119-F135 VanDerWaalsContact CE2-CD2 3.41Å; Y119-F135 HydrophobicContact CE2-CE2 4.26Å; Y119-F135 HydrophobicContact CE2-CG 4.24Å; Y119-F135 HydrophobicContact CG-CB 3.83Å; Y119-F135 HydrophobicContact CG-CD2 4.22Å; E131-F135 PolarHBondContact O-N 2.9Å; L132-F135 HydrophobicContact CD1-CD1 4.22Å; L132-F135 PolarHBondContact O-N 3.34Å; F135-S137 PolarHBondContact O-N 3.08Å; F135-D138 PolarHBondContact O-N 3.47Å; F135-L139 HydrophobicContact CD1-CD1 4.49Å; F135-L139 HydrophobicContact CE1-CD1 3.51Å; F135-L139 HydrophobicContact CZ-CD1 3.61Å; F135-L139 WeakPolarHBondContact O-CB 3.24Å; F135-L139 PolarHBondContact O-N 3.44Å
136L76.9Confident78Confident4 Ų455 Ų552%0.02128%0.284CS..Hα-helixtrans-65.6-39.4-179.7-71.8174.6000112.5L132 G134 D138 L139 L140 L152 I159L132-L136 HydrophobicContact CD1-CD1 4.41Å; L132-L136 HydrophobicContact CD1-CG 4.26Å; L132-L136 HydrophobicContact CG-CD1 4.13Å; L132-L136 HydrophobicContact CG-CG 4.42Å; L132-L136 WeakPolarHBondContact O-CB 3.47Å; L132-L136 VanDerWaalsContact O-CG 3.27Å; L132-L136 WeakPolarHBondContact O-CG 3.48Å; L132-L136 PolarHBondContact O-N 2.72Å; G134-L136 PolarHBondContact O-N 3.08Å; L136-D138 VanDerWaalsContact C-N 3.33Å; L136-D138 PolarHBondContact O-N 3.09Å; L136-L139 PolarHBondContact O-N 2.86Å; L136-L140 WeakPolarHBondContact O-CB 3.45Å; L136-L140 VanDerWaalsContact O-CG 3.23Å; L136-L140 WeakPolarHBondContact O-CG 3.39Å; L136-L140 PolarHBondContact O-N 3.42Å; L136-L152 HydrophobicContact CB-CD1 3.47Å; L136-L152 VanDerWaalsContact CB-CD1 3.47Å; L136-L152 HydrophobicContact CD1-CD1 4.44Å; L136-I159 HydrophobicContact CD1-CD1 3.97Å; L136-I159 HydrophobicContact CD2-CD1 3.57Å; L136-I159 HydrophobicContact CG-CD1 4.25Å
137S81.9Confident77.5Confident17 Ų1756 Ų5612%0.11929%0.288CS..Hα-helixtrans-56.5-49.1173.8148.90000110.7K133 G134 F135 L140 K141 Y147K133-S137 VanDerWaalsContact O-CB 3.32Å; K133-S137 WeakPolarHBondContact O-CB 3.47Å; K133-S137 PolarHBondContact O-N 3.3Å; G134-S137 WeakPolarHBondContact O-CB 3.25Å; G134-S137 PolarHBondContact O-N 3.38Å; F135-S137 PolarHBondContact O-N 3.08Å; S137-L140 PolarHBondContact O-N 3.15Å; S137-K141 VanDerWaalsContact O-CG 3.26Å; S137-K141 WeakPolarHBondContact O-CG 3.18Å; S137-K141 PolarHBondContact O-N 3.43Å; S137-K141 VanDerWaalsContact OG-CE 3.3Å; S137-K141 WeakPolarHBondContact OG-CE 3.43Å; S137-K141 PolarHBondContact OG-NZ 3.42Å; S137-Y147 PolarHBondContact OG-OH 3.48Å
138D79.3Confident77.4Confident42 Ų4259.8 Ų59.823%0.22531%0.308CS..Hα-helixtrans-71.2-32.7-177.3-79.83.5000112.8Y119 G134 F135 L136 K141 K142Y119-D138 WeakPolarHBondContact OH-CB 3.38Å; Y119-D138 PolarHBondContact OH-OD2 3.38Å; G134-D138 PolarHBondContact O-N 2.94Å; G134-D138 VanDerWaalsContact O-N 3.08Å; F135-D138 PolarHBondContact O-N 3.47Å; L136-D138 VanDerWaalsContact C-N 3.33Å; L136-D138 PolarHBondContact O-N 3.09Å; D138-K141 IonicContact OD1-NZ 3Å; D138-K141 PolarHBondContact OD1-NZ 2.53Å; D138-K142 WeakPolarHBondContact O-CG 3.31Å; D138-K142 PolarHBondContact O-N 3.2Å
139L73.3Confident77.2Confident3 Ų361 Ų612%0.01632%0.318CS..Hα-helixtrans-65.2-46.9172-179.2159.6000111.7C101 F102 F105 F135 L136 K142 A143C101-L139 HydrophobicContact CB-CD2 3.53Å; F102-L139 HydrophobicContact CB-CD1 4.05Å; F102-L139 HydrophobicContact CD2-CD1 3.96Å; F102-L139 HydrophobicContact CG-CD1 4.34Å; F105-L139 HydrophobicContact CB-CD1 4.28Å; F105-L139 HydrophobicContact CB-CG 4.25Å; F105-L139 HydrophobicContact CD1-CD1 4.29Å; F105-L139 HydrophobicContact CD1-CG 4.49Å; F105-L139 HydrophobicContact CG-CD1 4.5Å; F105-L139 HydrophobicContact CG-CG 4.37Å; F135-L139 HydrophobicContact CD1-CD1 4.49Å; F135-L139 HydrophobicContact CE1-CD1 3.51Å; F135-L139 HydrophobicContact CZ-CD1 3.61Å; F135-L139 WeakPolarHBondContact O-CB 3.24Å; F135-L139 PolarHBondContact O-N 3.44Å; L136-L139 PolarHBondContact O-N 2.86Å; L139-K142 PolarHBondContact O-N 3.02Å; L139-A143 WeakPolarHBondContact O-CB 3.18Å; L139-A143 PolarHBondContact O-N 3.07Å
140L73.4Confident77.1Confident5 Ų566.3 Ų66.33%0.02634%0.336CS..Hα-helixtrans-66.2-38.9178.7-70.2170000112L136 S137 K142 A143 N144 R145 Y147 L152 Y155L136-L140 WeakPolarHBondContact O-CB 3.45Å; L136-L140 VanDerWaalsContact O-CG 3.23Å; L136-L140 WeakPolarHBondContact O-CG 3.39Å; L136-L140 PolarHBondContact O-N 3.42Å; S137-L140 PolarHBondContact O-N 3.15Å; L140-K142 PolarHBondContact O-N 2.95Å; L140-A143 PolarHBondContact O-N 3.29Å; L140-N144 PolarHBondContact O-N 3.44Å; L140-R145 HydrophobicContact CD2-CB 4.26Å; L140-R145 PolarHBondContact O-N 3.33Å; L140-Y147 HydrophobicContact CB-CD1 3.49Å; L140-Y147 VanDerWaalsContact CB-CD1 3.49Å; L140-Y147 HydrophobicContact CB-CE1 3.83Å; L140-Y147 HydrophobicContact CB-CG 4.16Å; L140-Y147 HydrophobicContact CD1-CD1 4.01Å; L140-Y147 HydrophobicContact CD1-CD2 4.32Å; L140-Y147 HydrophobicContact CD1-CG 3.78Å; L140-Y147 HydrophobicContact CG-CD1 4.38Å; L140-L152 HydrophobicContact CD1-CD1 4.03Å; L140-Y155 HydrophobicContact CD1-CD2 4.04Å; L140-Y155 HydrophobicContact CD1-CE2 4.17Å
141K77.1Confident76.6Confident114 Ų11464.4 Ų64.450%0.49632%0.322SS..Hα-helixtrans-58-46.4171-74.1174.6-158.2158.80111.6S137 D138 A143 N144 Y147S137-K141 VanDerWaalsContact O-CG 3.26Å; S137-K141 WeakPolarHBondContact O-CG 3.18Å; S137-K141 PolarHBondContact O-N 3.43Å; S137-K141 VanDerWaalsContact OG-CE 3.3Å; S137-K141 WeakPolarHBondContact OG-CE 3.43Å; S137-K141 PolarHBondContact OG-NZ 3.42Å; D138-K141 IonicContact OD1-NZ 3Å; D138-K141 PolarHBondContact OD1-NZ 2.53Å; K141-A143 VanDerWaalsContact C-N 3.33Å; K141-N144 PolarHBondContact O-N 3.11Å; K141-N144 VanDerWaalsContact O-N 3.08Å; K141-Y147 WeakPolarHBondContact CE-OH 3.32Å; K141-Y147 HydrophobicContact CG-CE1 3.92Å
142K69.7Low76.3Confident127 Ų12763.7 Ų63.755%0.55232%0.319SS*.Hα-helixtrans-66.7-34.9178.9-77.8179-176.9176.30112.7F105 D138 L139 L140 N144F105-K142 HydrophobicContact CD2-CD 3.74Å; F105-K142 HydrophobicContact CE2-CD 3.17Å; F105-K142 HydrophobicContact CZ-CD 3.94Å; D138-K142 WeakPolarHBondContact O-CG 3.31Å; D138-K142 PolarHBondContact O-N 3.2Å; L139-K142 PolarHBondContact O-N 3.02Å; L140-K142 PolarHBondContact O-N 2.95Å; K142-N144 PolarHBondContact O-N 2.88Å
143A64.9Low76.3Confident39 Ų3967.4 Ų67.432%0.32234%0.338SS..THydrogen-bonded Turntrans-72.90.3173.200000113.4C101 L139 L140 K141 R145C101-A143 HydrophobicContact CB-CB 4.35Å; L139-A143 WeakPolarHBondContact O-CB 3.18Å; L139-A143 PolarHBondContact O-N 3.07Å; L140-A143 PolarHBondContact O-N 3.29Å; K141-A143 VanDerWaalsContact C-N 3.33Å; A143-R145 HydrophobicContact CB-CG 4.13Å; A143-R145 PolarHBondContact O-N 3.02Å
144N69.4Low76Confident155 Ų15569 Ų6983%0.82935%0.347SS*.THydrogen-bonded Turntrans51.536.8-175.4-163.252.7000112.4L140 K141 K142L140-N144 PolarHBondContact O-N 3.44Å; K141-N144 PolarHBondContact O-N 3.11Å; K141-N144 VanDerWaalsContact O-N 3.08Å; K142-N144 PolarHBondContact O-N 2.88Å
145R68.8Low75.6Confident87 Ų8768.4 Ų68.433%0.32834%0.335SS..  trans-97.3133.7176.3-72.6-171.5174.5-128.7-13.8109.6L140 A143L140-R145 HydrophobicContact CD2-CB 4.26Å; L140-R145 PolarHBondContact O-N 3.33Å; A143-R145 HydrophobicContact CB-CG 4.13Å; A143-R145 PolarHBondContact O-N 3.02Å
146D69.8Low75.6Confident157 Ų15768.2 Ų68.284%0.8433%0.334SS*.  trans-73.3133.2169.7-160.6-52.9000109.2
147Y72.5Confident75.7Confident57 Ų5771.6 Ų71.622%0.22435%0.35CS..  trans-143.7146.9178.367.5-87.3000110S137 L140 K141 L152S137-Y147 PolarHBondContact OG-OH 3.48Å; L140-Y147 HydrophobicContact CB-CD1 3.49Å; L140-Y147 VanDerWaalsContact CB-CD1 3.49Å; L140-Y147 HydrophobicContact CB-CE1 3.83Å; L140-Y147 HydrophobicContact CB-CG 4.16Å; L140-Y147 HydrophobicContact CD1-CD1 4.01Å; L140-Y147 HydrophobicContact CD1-CD2 4.32Å; L140-Y147 HydrophobicContact CD1-CG 3.78Å; L140-Y147 HydrophobicContact CG-CD1 4.38Å; K141-Y147 WeakPolarHBondContact CE-OH 3.32Å; K141-Y147 HydrophobicContact CG-CE1 3.92Å; Y147-L152 HydrophobicContact CD2-CB 4.21Å; Y147-L152 HydrophobicContact CD2-CD2 4.18Å; Y147-L152 HydrophobicContact CE2-CD2 3.89Å
148D80.7Confident75.4Confident81 Ų8171.2 Ų71.243%0.43335%0.347SS..  trans-106.3168.3169.76526.6000110.3K150 K151 L152D148-K150 PolarHBondContact O-N 3.39Å; D148-K150 WeakPolarHBondContact OD1-CA 3.19Å; D148-K150 WeakPolarHBondContact OD1-CB 3.5Å; D148-K150 PolarHBondContact OD1-N 2.85Å; D148-K151 PolarHBondContact O-N 3.03Å; D148-K151 WeakPolarHBondContact OD1-CB 3.41Å; D148-K151 WeakPolarHBondContact OD1-CG 3.16Å; D148-K151 PolarHBondContact OD1-N 2.93Å; D148-L152 WeakPolarHBondContact O-CB 3.38Å; D148-L152 PolarHBondContact O-N 2.97Å
149D81.8Confident75.1Confident113 Ų11369.3 Ų69.360%0.60434%0.337SS*.Hα-helixtrans-60-26.1178.5-98.7-42000113.1K133 N153K133-D149 WeakPolarHBondContact CE-OD1 3.43Å; K133-D149 IonicContact NZ-OD1 3.07Å; K133-D149 PolarHBondContact NZ-OD1 2.78Å; D149-N153 WeakPolarHBondContact O-CB 3.02Å; D149-N153 PolarHBondContact O-N 2.73Å; D149-N153 VanDerWaalsContact O-N 3.08Å
150K80.6Confident75.3Confident147 Ų14769.7 Ų69.764%0.63934%0.339SS*.Hα-helixtrans-76.3-49.5-176.9-170.1-176.3174.1-166.30110.8D148 L152 N153 E154D148-K150 PolarHBondContact O-N 3.39Å; D148-K150 WeakPolarHBondContact OD1-CA 3.19Å; D148-K150 WeakPolarHBondContact OD1-CB 3.5Å; D148-K150 PolarHBondContact OD1-N 2.85Å; K150-L152 VanDerWaalsContact C-N 3.3Å; K150-L152 PolarHBondContact O-N 3.21Å; K150-N153 WeakPolarHBondContact O-CB 3.35Å; K150-N153 PolarHBondContact O-N 2.86Å; K150-E154 WeakPolarHBondContact CE-OE1 3.44Å; K150-E154 WeakPolarHBondContact O-CG 3.35Å; K150-E154 PolarHBondContact O-N 2.9Å
151K75.2Confident75.3Confident88 Ų8875.3 Ų75.338%0.38336%0.36SS..Hα-helixtrans-59.9-42.6172.5-74.8-174.3177-171.40111.2D148 N153 E154 Y155D148-K151 PolarHBondContact O-N 3.03Å; D148-K151 WeakPolarHBondContact OD1-CB 3.41Å; D148-K151 WeakPolarHBondContact OD1-CG 3.16Å; D148-K151 PolarHBondContact OD1-N 2.93Å; K151-N153 VanDerWaalsContact C-N 3.29Å; K151-N153 PolarHBondContact O-N 2.85Å; K151-E154 PolarHBondContact O-N 3.01Å; K151-Y155 HydrophobicContact CB-CE2 4.13Å; K151-Y155 WeakPolarHBondContact O-CD2 3.1Å; K151-Y155 VanDerWaalsContact O-CG 3.25Å; K151-Y155 PolarHBondContact O-N 2.92Å
152L79.6Confident74.9Confident6 Ų670.5 Ų70.53%0.03134%0.339CS..Hα-helixtrans-60-43.1177.2-173.959.8000111.1K133 L136 L140 Y147 D148 K150 Y155 T156K133-L152 HydrophobicContact CD-CD2 4.23Å; K133-L152 HydrophobicContact CD-CG 4.45Å; K133-L152 VanDerWaalsContact CE-CD2 3.46Å; K133-L152 HydrophobicContact CG-CD1 4.47Å; K133-L152 HydrophobicContact CG-CD2 3.6Å; K133-L152 HydrophobicContact CG-CG 3.69Å; L136-L152 HydrophobicContact CB-CD1 3.47Å; L136-L152 VanDerWaalsContact CB-CD1 3.47Å; L136-L152 HydrophobicContact CD1-CD1 4.44Å; L140-L152 HydrophobicContact CD1-CD1 4.03Å; Y147-L152 HydrophobicContact CD2-CB 4.21Å; Y147-L152 HydrophobicContact CD2-CD2 4.18Å; Y147-L152 HydrophobicContact CE2-CD2 3.89Å; D148-L152 WeakPolarHBondContact O-CB 3.38Å; D148-L152 PolarHBondContact O-N 2.97Å; K150-L152 VanDerWaalsContact C-N 3.3Å; K150-L152 PolarHBondContact O-N 3.21Å; L152-Y155 PolarHBondContact O-N 3.07Å; L152-T156 PolarHBondContact O-N 3.02Å; L152-T156 PolarHBondContact O-OG1 2.92Å
153N82.2Confident75Confident78 Ų7864.8 Ų64.842%0.41731%0.314SS..Hα-helixtrans-66.7-40174.6-167.446.2000112.6D149 K150 K151 Y155 T156 Q157D149-N153 WeakPolarHBondContact O-CB 3.02Å; D149-N153 PolarHBondContact O-N 2.73Å; D149-N153 VanDerWaalsContact O-N 3.08Å; K150-N153 WeakPolarHBondContact O-CB 3.35Å; K150-N153 PolarHBondContact O-N 2.86Å; K151-N153 VanDerWaalsContact C-N 3.29Å; K151-N153 PolarHBondContact O-N 2.85Å; N153-Y155 VanDerWaalsContact C-N 3.32Å; N153-Y155 PolarHBondContact O-N 3.22Å; N153-T156 PolarHBondContact O-N 2.86Å; N153-Q157 WeakPolarHBondContact O-CB 3.13Å; N153-Q157 VanDerWaalsContact O-CG 3.23Å; N153-Q157 WeakPolarHBondContact O-CG 3.22Å; N153-Q157 PolarHBondContact O-N 3.11Å
154E77.6Confident75.6Confident95 Ų9564 Ų6444%0.44431%0.305SS..Hα-helixtrans-60-42.2174.1-74.6171.8-171.500111.2K150 K151 Q157 T158K150-E154 WeakPolarHBondContact CE-OE1 3.44Å; K150-E154 WeakPolarHBondContact O-CG 3.35Å; K150-E154 PolarHBondContact O-N 2.9Å; K151-E154 PolarHBondContact O-N 3.01Å; E154-Q157 PolarHBondContact O-N 2.82Å; E154-T158 VanDerWaalsContact O-CB 3.25Å; E154-T158 WeakPolarHBondContact O-CB 3.32Å; E154-T158 PolarHBondContact O-N 2.58Å; E154-T158 PolarHBondContact O-OG1 3.09Å
155Y74.7Confident75.6Confident17 Ų1760.7 Ų60.77%0.06729%0.286CS..Hα-helixtrans-65.6-46.1174.6-62.8-36.1000112.4E96 F98 L140 K151 L152 N153 Q157 T158 I159E96-Y155 WeakPolarHBondContact OE1-CE1 3.48Å; E96-Y155 PolarHBondContact OE1-OH 3.16Å; F98-Y155 HydrophobicContact CD1-CD1 4.22Å; F98-Y155 HydrophobicContact CD1-CE1 4.34Å; F98-Y155 HydrophobicContact CG-CD1 4.34Å; L140-Y155 HydrophobicContact CD1-CD2 4.04Å; L140-Y155 HydrophobicContact CD1-CE2 4.17Å; K151-Y155 HydrophobicContact CB-CE2 4.13Å; K151-Y155 WeakPolarHBondContact O-CD2 3.1Å; K151-Y155 VanDerWaalsContact O-CG 3.25Å; K151-Y155 PolarHBondContact O-N 2.92Å; L152-Y155 PolarHBondContact O-N 3.07Å; N153-Y155 VanDerWaalsContact C-N 3.32Å; N153-Y155 PolarHBondContact O-N 3.22Å; Y155-Q157 VanDerWaalsContact C-N 3.32Å; Y155-Q157 PolarHBondContact O-N 3.24Å; Y155-T158 WeakPolarHBondContact O-CB 3.45Å; Y155-T158 PolarHBondContact O-N 3.44Å; Y155-T158 VanDerWaalsContact O-N 3.17Å; Y155-I159 WeakPolarHBondContact O-CG1 3.35Å; Y155-I159 PolarHBondContact O-N 3Å
156T79.4Confident75.8Confident0 Ų060.3 Ų60.30%029%0.291CS..Hα-helixtrans-55.4-48.2175.2-60.10000111.1S129 L132 L152 N153 T158 I159 L160S129-T156 WeakPolarHBondContact OG-CG2 3.33Å; L132-T156 HydrophobicContact CB-CG2 4.32Å; L132-T156 HydrophobicContact CD2-CG2 3.95Å; L132-T156 HydrophobicContact CG-CG2 4.22Å; L152-T156 PolarHBondContact O-N 3.02Å; L152-T156 PolarHBondContact O-OG1 2.92Å; N153-T156 PolarHBondContact O-N 2.86Å; T156-T158 VanDerWaalsContact C-N 3.31Å; T156-T158 PolarHBondContact O-N 3.01Å; T156-I159 PolarHBondContact O-N 3.15Å; T156-L160 HydrophobicContact CG2-CD1 4.14Å; T156-L160 WeakPolarHBondContact O-CG 3.22Å; T156-L160 PolarHBondContact O-N 3.25Å
157Q78.7Confident76.1Confident75 Ų7555.7 Ų55.735%0.3528%0.281SS..Hα-helixtrans-67.9-31.3179.7-69.2-62.7-32.800113.1N153 E154 Y155 R161N153-Q157 WeakPolarHBondContact O-CB 3.13Å; N153-Q157 VanDerWaalsContact O-CG 3.23Å; N153-Q157 WeakPolarHBondContact O-CG 3.22Å; N153-Q157 PolarHBondContact O-N 3.11Å; E154-Q157 PolarHBondContact O-N 2.82Å; Y155-Q157 VanDerWaalsContact C-N 3.32Å; Y155-Q157 PolarHBondContact O-N 3.24Å; Q157-R161 WeakPolarHBondContact O-CB 3.15Å; Q157-R161 WeakPolarHBondContact O-CG 2.8Å; Q157-R161 PolarHBondContact O-N 3.39Å; Q157-R161 PolarHBondContact O-NE 3.09Å
158T74.5Confident76.5Confident10 Ų1055.9 Ų55.96%0.06129%0.285CS..Hα-helixtrans-69.2-46.6175.8-64.10000110.3A18 I22 F98 E154 Y155 T156 R161 M162A18-T158 HydrophobicContact CB-CG2 3.51Å; I22-T158 HydrophobicContact CD1-CG2 3.66Å; I22-T158 WeakPolarHBondContact CD1-O 3.4Å; F98-T158 HydrophobicContact CE1-CG2 4.42Å; F98-T158 HydrophobicContact CZ-CG2 4Å; E154-T158 VanDerWaalsContact O-CB 3.25Å; E154-T158 WeakPolarHBondContact O-CB 3.32Å; E154-T158 PolarHBondContact O-N 2.58Å; E154-T158 PolarHBondContact O-OG1 3.09Å; Y155-T158 WeakPolarHBondContact O-CB 3.45Å; Y155-T158 PolarHBondContact O-N 3.44Å; Y155-T158 VanDerWaalsContact O-N 3.17Å; T156-T158 VanDerWaalsContact C-N 3.31Å; T156-T158 PolarHBondContact O-N 3.01Å; T158-R161 PolarHBondContact O-N 2.68Å; T158-M162 HydrophobicContact CG2-CE 3.76Å; T158-M162 HydrophobicContact CG2-SD 4.21Å; T158-M162 WeakPolarHBondContact O-CG 3.45Å; T158-M162 PolarHBondContact O-N 2.84Å
159I74.6Confident76.5Confident1 Ų153.9 Ų53.91%0.00528%0.284CS..Hα-helixtrans-65-45178.4-66.6-179.4000110.9F98 L132 L136 Y155 T156 R161 M162 F163 L171F98-I159 HydrophobicContact CD2-CD1 4.19Å; F98-I159 HydrophobicContact CD2-CG1 4.43Å; F98-I159 HydrophobicContact CE2-CD1 3.81Å; F98-I159 HydrophobicContact CE2-CG1 3.59Å; F98-I159 HydrophobicContact CZ-CG1 4.34Å; L132-I159 HydrophobicContact CD1-CG2 4.39Å; L132-I159 HydrophobicContact CD2-CB 4.12Å; L132-I159 HydrophobicContact CD2-CG2 3.95Å; L136-I159 HydrophobicContact CD1-CD1 3.97Å; L136-I159 HydrophobicContact CD2-CD1 3.57Å; L136-I159 HydrophobicContact CG-CD1 4.25Å; Y155-I159 WeakPolarHBondContact O-CG1 3.35Å; Y155-I159 PolarHBondContact O-N 3Å; T156-I159 PolarHBondContact O-N 3.15Å; I159-R161 PolarHBondContact O-N 3.27Å; I159-M162 WeakPolarHBondContact O-CB 3.43Å; I159-M162 PolarHBondContact O-N 2.97Å; I159-M162 VanDerWaalsContact O-N 3.11Å; I159-F163 HydrophobicContact CG2-CD2 3.9Å; I159-F163 WeakPolarHBondContact O-CD2 3.32Å; I159-F163 PolarHBondContact O-N 3.06Å; I159-L171 HydrophobicContact CG2-CD1 3.7Å
160L77.1Confident76.6Confident11 Ų1150.8 Ų50.86%0.05827%0.265CS..Hα-helixtrans-57.3-51.9174.2-72.1169.1000109.9L132 T156 M162 F163 D164 L171L132-L160 HydrophobicContact CD2-CD2 4.3Å; L132-L160 HydrophobicContact CD2-CG 4.03Å; T156-L160 HydrophobicContact CG2-CD1 4.14Å; T156-L160 WeakPolarHBondContact O-CG 3.22Å; T156-L160 PolarHBondContact O-N 3.25Å; L160-M162 PolarHBondContact O-N 3.37Å; L160-F163 PolarHBondContact O-N 3.1Å; L160-D164 HydrophobicContact CD2-CB 4.37Å; L160-D164 WeakPolarHBondContact O-CA 3.19Å; L160-D164 WeakPolarHBondContact O-CB 3.32Å; L160-D164 PolarHBondContact O-N 2.83Å; L160-L171 HydrophobicContact CD2-CD2 4.04Å; L160-L171 HydrophobicContact CD2-CG 3.85Å
161R72.9Confident76.6Confident124 Ų12443.8 Ų43.847%0.46823%0.234SC..Hα-helixtrans-57.7-27.4177-84.4-171.8-89.8175.6-9.6114.9I22 K26 Q157 T158 I159I22-R161 HydrophobicContact CD1-CB 4.03Å; K26-R161 WeakPolarHBondContact CE-O 3.18Å; K26-R161 PolarHBondContact NZ-O 2.85Å; Q157-R161 WeakPolarHBondContact O-CB 3.15Å; Q157-R161 WeakPolarHBondContact O-CG 2.8Å; Q157-R161 PolarHBondContact O-N 3.39Å; Q157-R161 PolarHBondContact O-NE 3.09Å; T158-R161 PolarHBondContact O-N 2.68Å; I159-R161 PolarHBondContact O-N 3.27Å
162M68.9Low76.7Confident12 Ų1239.7 Ų39.76%0.05922%0.217CC..Hα-helixtrans-78.7-46.9177.3-78.4174.6177.300113A18 F21 I22 M85 F98 L99 T158 I159 L160A18-M162 HydrophobicContact CB-CE 4.45Å; F21-M162 HydrophobicContact CD1-CE 3.67Å; F21-M162 HydrophobicContact CE1-CE 4.26Å; I22-M162 HydrophobicContact CD1-CE 3.68Å; I22-M162 HydrophobicContact CD1-CG 3.49Å; I22-M162 VanDerWaalsContact CD1-CG 3.49Å; I22-M162 HydrophobicContact CD1-SD 4.28Å; I22-M162 HydrophobicContact CG1-CE 3.24Å; I22-M162 HydrophobicContact CG1-CG 3.34Å; I22-M162 HydrophobicContact CG1-SD 4.12Å; M85-M162 HydrophobicContact CE-CB 4.33Å; M85-M162 HydrophobicContact CE-CE 4.28Å; M85-M162 HydrophobicContact CE-CG 3.84Å; M85-M162 HydrophobicContact CE-SD 4.02Å; F98-M162 HydrophobicContact CZ-CE 4.48Å; F98-M162 HydrophobicContact CZ-SD 4.43Å; L99-M162 HydrophobicContact CD1-CE 4.3Å; L99-M162 HydrophobicContact CD1-SD 4.26Å; T158-M162 HydrophobicContact CG2-CE 3.76Å; T158-M162 HydrophobicContact CG2-SD 4.21Å; T158-M162 WeakPolarHBondContact O-CG 3.45Å; T158-M162 PolarHBondContact O-N 2.84Å; I159-M162 WeakPolarHBondContact O-CB 3.43Å; I159-M162 PolarHBondContact O-N 2.97Å; I159-M162 VanDerWaalsContact O-N 3.11Å; L160-M162 PolarHBondContact O-N 3.37Å
163F70.9Confident76.5Confident8 Ų839.7 Ų39.74%0.03522%0.217CC..Hα-helixtrans-114.7-20.6-162.5-63.7-77.4000113.8M85 L99 I159 L160 L165 L171 E175 R178 L179M85-F163 HydrophobicContact CG-CE1 4.28Å; M85-F163 HydrophobicContact CG-CZ 3.94Å; L99-F163 HydrophobicContact CD2-CE2 4.42Å; I159-F163 HydrophobicContact CG2-CD2 3.9Å; I159-F163 WeakPolarHBondContact O-CD2 3.32Å; I159-F163 PolarHBondContact O-N 3.06Å; L160-F163 PolarHBondContact O-N 3.1Å; F163-L165 VanDerWaalsContact C-N 3.34Å; F163-L165 PolarHBondContact O-N 3.42Å; F163-L171 HydrophobicContact CB-CD2 3.67Å; F163-E175 WeakPolarHBondContact O-CB 3.21Å; F163-E175 WeakPolarHBondContact O-CG 3.13Å; F163-R178 HydrophobicContact CD1-CB 4.23Å; F163-R178 HydrophobicContact CE1-CB 4.24Å; F163-L179 HydrophobicContact CD1-CG 4.07Å; F163-L179 HydrophobicContact CD2-CD1 4.01Å; F163-L179 HydrophobicContact CD2-CD2 4.15Å; F163-L179 HydrophobicContact CD2-CG 4.09Å; F163-L179 HydrophobicContact CE1-CD2 3.8Å; F163-L179 HydrophobicContact CE1-CG 3.68Å; F163-L179 HydrophobicContact CE2-CD1 4.02Å; F163-L179 HydrophobicContact CE2-CD2 3.32Å; F163-L179 HydrophobicContact CE2-CG 3.73Å; F163-L179 HydrophobicContact CG-CD1 4.33Å; F163-L179 HydrophobicContact CG-CG 4.28Å; F163-L179 HydrophobicContact CZ-CD1 4.32Å; F163-L179 HydrophobicContact CZ-CD2 3.12Å; F163-L179 HydrophobicContact CZ-CG 3.52Å
164D77.7Confident76Confident23 Ų2337.7 Ų37.712%0.12321%0.209CC..  trans-74.189.8169175.19.1000108.3L160 N166 G167 D168 G169 L171L160-D164 HydrophobicContact CD2-CB 4.37Å; L160-D164 WeakPolarHBondContact O-CA 3.19Å; L160-D164 WeakPolarHBondContact O-CB 3.32Å; L160-D164 PolarHBondContact O-N 2.83Å; D164-N166 PolarHBondContact OD1-OD1 3.1Å; D164-G167 WeakPolarHBondContact OD1-CA 3.33Å; D164-G167 PolarHBondContact OD1-N 2.82Å; D164-D168 PolarHBondContact OD1-N 3.5Å; D164-D168 PolarHBondContact OD2-N 2.88Å; D164-G169 VanDerWaalsContact OD2-CA 3.22Å; D164-G169 WeakPolarHBondContact OD2-CA 3.5Å; D164-G169 PolarHBondContact OD2-N 3.32Å; D164-L171 HydrophobicContact CB-CD2 4.11Å
165L69.9Low75.9Confident85 Ų8533.6 Ų33.645%0.44519%0.19SC..SBendtrans-82.1-32.4-174.9-63.5164.6000111F163 G167 E175F163-L165 VanDerWaalsContact C-N 3.34Å; F163-L165 PolarHBondContact O-N 3.42Å; L165-G167 VanDerWaalsContact C-N 3.31Å; L165-E175 HydrophobicContact CD1-CG 4.23Å; L165-E175 HydrophobicContact CG-CG 4.5Å; L165-E175 PolarHBondContact N-OE1 3.47Å
166N73Confident75.8Confident78 Ų7833 Ų3342%0.41719%0.188SC..SBendtrans-82.6-12.9-179.672.613.3000112D164 D168 E175D164-N166 PolarHBondContact OD1-OD1 3.1Å; N166-D168 VanDerWaalsContact CG-CG 3.47Å; N166-D168 VanDerWaalsContact ND2-CG 3.35Å; N166-D168 PolarHBondContact ND2-OD2 3.02Å; N166-D168 VanDerWaalsContact OD1-CB 3.22Å; N166-D168 WeakPolarHBondContact OD1-CB 3.47Å; N166-D168 PolarHBondContact OD1-N 3.11Å; N166-D168 PolarHBondContact OD1-OD1 3.32Å; N166-D168 VanDerWaalsContact OD1-OD1 3.07Å; N166-D168 PolarHBondContact OD1-OD2 3.1Å; N166-E175 PolarHBondContact N-OE1 2.89Å
167G76.4Confident75.3Confident61 Ų6133 Ų3363%0.62919%0.188SC*.  trans73.823.8177.200000113.7D164 L165 G169D164-G167 WeakPolarHBondContact OD1-CA 3.33Å; D164-G167 PolarHBondContact OD1-N 2.82Å; L165-G167 VanDerWaalsContact C-N 3.31Å; G167-G169 VanDerWaalsContact C-N 3.3Å
168D79.9Confident74.7Confident61 Ų6131.6 Ų31.633%0.32618%0.179SC..SBendtrans-84.6-3.4-17670.39.8000113.7D164 N166 K170D164-D168 PolarHBondContact OD1-N 3.5Å; D164-D168 PolarHBondContact OD2-N 2.88Å; N166-D168 VanDerWaalsContact CG-CG 3.47Å; N166-D168 VanDerWaalsContact ND2-CG 3.35Å; N166-D168 PolarHBondContact ND2-OD2 3.02Å; N166-D168 VanDerWaalsContact OD1-CB 3.22Å; N166-D168 WeakPolarHBondContact OD1-CB 3.47Å; N166-D168 PolarHBondContact OD1-N 3.11Å; N166-D168 PolarHBondContact OD1-OD1 3.32Å; N166-D168 VanDerWaalsContact OD1-OD1 3.07Å; N166-D168 PolarHBondContact OD1-OD2 3.1Å; D168-K170 VanDerWaalsContact C-N 3.28Å; D168-K170 HydrophobicContact CB-CG 4.3Å; D168-K170 VanDerWaalsContact CG-CE 3.44Å; D168-K170 WeakPolarHBondContact OD1-CG 3.15Å; D168-K170 PolarHBondContact OD1-N 3.01Å; D168-K170 WeakPolarHBondContact OD2-CE 3.46Å; D168-K170 WeakPolarHBondContact OD2-CG 3.5Å; D168-K170 IonicContact OD2-NZ 2.79Å
169G80.4Confident74.1Confident38 Ų3831.9 Ų31.939%0.39218%0.18SC..SBendtrans79.18.2177.900000114.2D164 G167D164-G169 VanDerWaalsContact OD2-CA 3.22Å; D164-G169 WeakPolarHBondContact OD2-CA 3.5Å; D164-G169 PolarHBondContact OD2-N 3.32Å; G167-G169 VanDerWaalsContact C-N 3.3Å
170K84.4Confident73.6Confident49 Ų4932 Ų3221%0.21318%0.181CC..EExtended strand (participates in β ladder)trans-128.3161.6176.153.9-178.9-169.1163.80108.8Y126 D168Y126-K170 HydrophobicContact CD1-CD 3.63Å; Y126-K170 VanDerWaalsContact CD1-CE 3.46Å; Y126-K170 HydrophobicContact CD1-CG 3.97Å; Y126-K170 HydrophobicContact CD2-CD 4.11Å; Y126-K170 VanDerWaalsContact CD2-NZ 3.3Å; Y126-K170 HydrophobicContact CE1-CD 4.32Å; Y126-K170 HydrophobicContact CG-CD 3.53Å; Y126-K170 HydrophobicContact CG-CG 4.21Å; Y126-K170 VanDerWaalsContact CZ-NZ 3.28Å; D168-K170 VanDerWaalsContact C-N 3.28Å; D168-K170 HydrophobicContact CB-CG 4.3Å; D168-K170 VanDerWaalsContact CG-CE 3.44Å; D168-K170 WeakPolarHBondContact OD1-CG 3.15Å; D168-K170 PolarHBondContact OD1-N 3.01Å; D168-K170 WeakPolarHBondContact OD2-CE 3.46Å; D168-K170 WeakPolarHBondContact OD2-CG 3.5Å; D168-K170 IonicContact OD2-NZ 2.79Å
171L80.1Confident72.6Confident0 Ų032.6 Ų32.60%019%0.185CC..EExtended strand (participates in β ladder)trans-104.9121.1175.6-64.4174.7000108.7W116 Y126 I127 L132 I159 L160 F163 D164 M176W116-L171 VanDerWaalsContact CH2-O 3.28Å; W116-L171 WeakPolarHBondContact CH2-O 3.38Å; Y126-L171 CarbonylContact C-O 3.52Å; Y126-L171 WeakPolarHBondContact CA-O 3.49Å; I127-L171 HydrophobicContact CB-CB 4.4Å; I127-L171 PolarHBondContact N-O 3.2Å; I127-L171 PolarHBondContact O-N 3.26Å; L132-L171 HydrophobicContact CD1-CD1 4.16Å; L132-L171 HydrophobicContact CD2-CD1 3.78Å; I159-L171 HydrophobicContact CG2-CD1 3.7Å; L160-L171 HydrophobicContact CD2-CD2 4.04Å; L160-L171 HydrophobicContact CD2-CG 3.85Å; F163-L171 HydrophobicContact CB-CD2 3.67Å; D164-L171 HydrophobicContact CB-CD2 4.11Å; L171-M176 HydrophobicContact CB-CB 4.5Å; L171-M176 HydrophobicContact CB-SD 4.36Å; L171-M176 HydrophobicContact CD1-SD 3.75Å
172G78.4Confident71.6Confident1 Ų128.6 Ų28.61%0.0118%0.175CC..EExtended strand (participates in β ladder)trans-75.8158.6167.700000111.9W116 S174 E175 M176W116-G172 VanDerWaalsContact CH2-C 3.45Å; G172-S174 PolarHBondContact O-N 3.03Å; G172-E175 PolarHBondContact N-OE2 3.02Å; G172-E175 WeakPolarHBondContact O-CB 3.49Å; G172-E175 PolarHBondContact O-N 3.03Å; G172-M176 PolarHBondContact O-N 2.9Å
173L75.2Confident70.7Confident6 Ų634.8 Ų34.83%0.03120%0.203CC..Hα-helixtrans-56.6-39.7177.9-167.980.8000111.4F112 M113 W116 E175 A177 L187 I263 V264F112-L173 HydrophobicContact CE1-CD1 4Å; M113-L173 HydrophobicContact CE-CD1 3.72Å; M113-L173 HydrophobicContact CE-CD2 3.68Å; M113-L173 HydrophobicContact CE-CG 4.31Å; M113-L173 HydrophobicContact SD-CD1 3.94Å; M113-L173 HydrophobicContact SD-CD2 4.37Å; W116-L173 HydrophobicContact CB-CD1 4.5Å; W116-L173 HydrophobicContact CD2-CD1 3.4Å; W116-L173 VanDerWaalsContact CE2-CD1 3.48Å; W116-L173 HydrophobicContact CE3-CD1 3.83Å; W116-L173 HydrophobicContact CG-CD1 3.71Å; W116-L173 HydrophobicContact CH2-CB 4.25Å; W116-L173 HydrophobicContact CH2-CD1 4.29Å; W116-L173 HydrophobicContact CZ2-CB 3.99Å; W116-L173 HydrophobicContact CZ2-CD1 3.94Å; W116-L173 HydrophobicContact CZ3-CD1 4.27Å; L173-E175 VanDerWaalsContact C-N 3.3Å; L173-E175 PolarHBondContact O-N 3.32Å; L173-A177 WeakPolarHBondContact O-CB 3.44Å; L173-A177 PolarHBondContact O-N 3.21Å; L173-L187 HydrophobicContact CD1-CD1 4.38Å; L173-L187 HydrophobicContact CD2-CD1 4.01Å; L173-L187 HydrophobicContact CD2-CD2 3.4Å; L173-L187 VanDerWaalsContact CD2-CD2 3.4Å; L173-L187 HydrophobicContact CD2-CG 4.36Å; L173-L187 HydrophobicContact CG-CD1 3.85Å; L173-L187 HydrophobicContact CG-CD2 4.15Å; L173-I263 HydrophobicContact CB-CG2 3.65Å; L173-I263 HydrophobicContact CD1-CG2 4.4Å; L173-I263 HydrophobicContact CD2-CG2 3.65Å; L173-I263 HydrophobicContact CG-CG2 4.07Å; L173-V264 HydrophobicContact CD2-CG2 4.23Å
174S71.1Confident70Confident37 Ų3738.5 Ų38.526%0.25922%0.221SC..Hα-helixtrans-64.4-30.1176.447.90000114.3G172 Q191G172-S174 PolarHBondContact O-N 3.03Å; S174-Q191 PolarHBondContact O-NE2 3.45Å; S174-Q191 VanDerWaalsContact O-NE2 3.15Å
175E76Confident69.2Low9 Ų937.6 Ų37.64%0.04222%0.216CC..Hα-helixtrans-80.8-47.9-179.4-74.4174.8149.300110.3F163 L165 N166 G172 L173 A177 R178F163-E175 WeakPolarHBondContact O-CB 3.21Å; F163-E175 WeakPolarHBondContact O-CG 3.13Å; L165-E175 HydrophobicContact CD1-CG 4.23Å; L165-E175 HydrophobicContact CG-CG 4.5Å; L165-E175 PolarHBondContact N-OE1 3.47Å; N166-E175 PolarHBondContact N-OE1 2.89Å; G172-E175 PolarHBondContact N-OE2 3.02Å; G172-E175 WeakPolarHBondContact O-CB 3.49Å; G172-E175 PolarHBondContact O-N 3.03Å; L173-E175 VanDerWaalsContact C-N 3.3Å; L173-E175 PolarHBondContact O-N 3.32Å; E175-A177 VanDerWaalsContact C-N 3.29Å; E175-A177 PolarHBondContact O-N 2.99Å; E175-R178 WeakPolarHBondContact O-CB 3.43Å; E175-R178 PolarHBondContact O-N 2.88Å; E175-R178 VanDerWaalsContact O-N 3.16Å
176M71.8Confident69.1Low3 Ų333.6 Ų33.62%0.01520%0.195CC..Hα-helixtrans-73.2-24178.5-165.2141.614600112F102 F112 W116 I127 L171 G172 R178 L179F102-M176 HydrophobicContact CE2-CE 3.96Å; F102-M176 HydrophobicContact CZ-CE 3.92Å; F102-M176 HydrophobicContact CZ-CG 4.28Å; F112-M176 HydrophobicContact CE2-CB 4.49Å; F112-M176 HydrophobicContact CE2-CE 3.97Å; F112-M176 HydrophobicContact CE2-CG 3.69Å; F112-M176 HydrophobicContact CZ-CB 3.94Å; F112-M176 HydrophobicContact CZ-CE 4.48Å; F112-M176 HydrophobicContact CZ-CG 3.62Å; W116-M176 HydrophobicContact CE3-CB 4.38Å; W116-M176 HydrophobicContact CE3-CE 4.15Å; W116-M176 HydrophobicContact CE3-CG 4.32Å; W116-M176 HydrophobicContact CE3-SD 4.22Å; W116-M176 HydrophobicContact CH2-CB 4.23Å; W116-M176 HydrophobicContact CZ3-CB 3.49Å; W116-M176 VanDerWaalsContact CZ3-CB 3.49Å; W116-M176 HydrophobicContact CZ3-CE 4.15Å; W116-M176 HydrophobicContact CZ3-CG 3.75Å; W116-M176 HydrophobicContact CZ3-SD 3.62Å; I127-M176 HydrophobicContact CG1-SD 4.49Å; L171-M176 HydrophobicContact CB-CB 4.5Å; L171-M176 HydrophobicContact CB-SD 4.36Å; L171-M176 HydrophobicContact CD1-SD 3.75Å; G172-M176 PolarHBondContact O-N 2.9Å; M176-R178 PolarHBondContact O-N 3.24Å; M176-L179 HydrophobicContact CG-CD1 4.08Å; M176-L179 VanDerWaalsContact O-CB 3.29Å; M176-L179 WeakPolarHBondContact O-CB 3.04Å; M176-L179 PolarHBondContact O-N 3.4Å
177A68.8Low68.7Low0 Ų030.2 Ų30.20%018%0.177CC..G310 helixtrans-52.4-37.3167.300000112.1L173 E175 L179 L180 N185 L187L173-A177 WeakPolarHBondContact O-CB 3.44Å; L173-A177 PolarHBondContact O-N 3.21Å; E175-A177 VanDerWaalsContact C-N 3.29Å; E175-A177 PolarHBondContact O-N 2.99Å; A177-L179 PolarHBondContact O-N 3.01Å; A177-L179 VanDerWaalsContact O-N 3.09Å; A177-L180 VanDerWaalsContact O-CB 3.25Å; A177-L180 WeakPolarHBondContact O-CB 3.1Å; A177-L180 PolarHBondContact O-N 2.92Å; A177-N185 PolarHBondContact O-ND2 3.46Å; A177-N185 PolarHBondContact O-OD1 3.46Å; A177-L187 HydrophobicContact CB-CB 3.51Å; A177-L187 HydrophobicContact CB-CD1 3.51Å; A177-L187 HydrophobicContact CB-CG 4.14Å
178R66.4Low68.1Low46 Ų4628.6 Ų28.617%0.17415%0.154CC..G310 helixtrans-63.7-16.3-178.8-62.8175.8172.4-152.8-9.6113.2N33 G34 F163 E175 M176 L180 L188N33-R178 PolarHBondContact O-NH1 3.45Å; N33-R178 PolarHBondContact O-NH2 2.94Å; G34-R178 VanDerWaalsContact CA-NH1 3.32Å; F163-R178 HydrophobicContact CD1-CB 4.23Å; F163-R178 HydrophobicContact CE1-CB 4.24Å; E175-R178 WeakPolarHBondContact O-CB 3.43Å; E175-R178 PolarHBondContact O-N 2.88Å; E175-R178 VanDerWaalsContact O-N 3.16Å; M176-R178 PolarHBondContact O-N 3.24Å; R178-L180 VanDerWaalsContact C-N 3.29Å; R178-L188 HydrophobicContact CG-CD2 4.21Å
179L63.1Low67.4Low17 Ų1730.4 Ų30.49%0.08916%0.159CC..G310 helixtrans-75.3-18.3171-75.2163.3000113L99 F102 F163 M176 A177L99-L179 HydrophobicContact CD2-CD2 3.71Å; F102-L179 HydrophobicContact CD1-CB 3.92Å; F102-L179 HydrophobicContact CD1-CD1 4.43Å; F102-L179 HydrophobicContact CD1-CD2 4.5Å; F102-L179 HydrophobicContact CD2-CD1 4.46Å; F102-L179 HydrophobicContact CE1-CB 3.45Å; F102-L179 VanDerWaalsContact CE1-CB 3.45Å; F102-L179 HydrophobicContact CE1-CD1 3.95Å; F102-L179 HydrophobicContact CE1-CG 4.22Å; F102-L179 HydrophobicContact CE2-CD1 3.96Å; F102-L179 HydrophobicContact CZ-CB 4.03Å; F102-L179 HydrophobicContact CZ-CD1 3.7Å; F102-L179 HydrophobicContact CZ-CG 4.45Å; F163-L179 HydrophobicContact CD1-CG 4.07Å; F163-L179 HydrophobicContact CD2-CD1 4.01Å; F163-L179 HydrophobicContact CD2-CD2 4.15Å; F163-L179 HydrophobicContact CD2-CG 4.09Å; F163-L179 HydrophobicContact CE1-CD2 3.8Å; F163-L179 HydrophobicContact CE1-CG 3.68Å; F163-L179 HydrophobicContact CE2-CD1 4.02Å; F163-L179 HydrophobicContact CE2-CD2 3.32Å; F163-L179 HydrophobicContact CE2-CG 3.73Å; F163-L179 HydrophobicContact CG-CD1 4.33Å; F163-L179 HydrophobicContact CG-CG 4.28Å; F163-L179 HydrophobicContact CZ-CD1 4.32Å; F163-L179 HydrophobicContact CZ-CD2 3.12Å; F163-L179 HydrophobicContact CZ-CG 3.52Å; M176-L179 HydrophobicContact CG-CD1 4.08Å; M176-L179 VanDerWaalsContact O-CB 3.29Å; M176-L179 WeakPolarHBondContact O-CB 3.04Å; M176-L179 PolarHBondContact O-N 3.4Å; A177-L179 PolarHBondContact O-N 3.01Å; A177-L179 VanDerWaalsContact O-N 3.09Å
180L62.3Low66.6Low3 Ų328.8 Ų28.82%0.01614%0.141CC..SBendtrans-78.6137.8178.3-58.9179.4000111V106 F112 A177 R178 V182 N185V106-L180 HydrophobicContact CB-CD2 4.31Å; V106-L180 HydrophobicContact CG1-CD2 3.42Å; V106-L180 VanDerWaalsContact CG1-CD2 3.42Å; F112-L180 HydrophobicContact CB-CD1 4.03Å; F112-L180 HydrophobicContact CB-CD2 3.83Å; F112-L180 HydrophobicContact CD1-CD1 3.71Å; F112-L180 HydrophobicContact CD1-CD2 4.48Å; F112-L180 HydrophobicContact CD1-CG 4.43Å; F112-L180 HydrophobicContact CD2-CD1 4.43Å; F112-L180 HydrophobicContact CD2-CD2 3.75Å; F112-L180 HydrophobicContact CD2-CG 4.34Å; F112-L180 HydrophobicContact CE1-CD1 4.27Å; F112-L180 HydrophobicContact CE2-CD2 4.44Å; F112-L180 HydrophobicContact CG-CD1 3.79Å; F112-L180 HydrophobicContact CG-CD2 3.75Å; F112-L180 HydrophobicContact CG-CG 4.17Å; A177-L180 VanDerWaalsContact O-CB 3.25Å; A177-L180 WeakPolarHBondContact O-CB 3.1Å; A177-L180 PolarHBondContact O-N 2.92Å; R178-L180 VanDerWaalsContact C-N 3.29Å; L180-V182 PolarHBondContact O-N 3.34Å; L180-N185 HydrophobicContact CB-CB 4.39Å; L180-N185 PolarHBondContact O-ND2 3.4Å
181P56.3Low65.4Low23 Ų2328.9 Ų28.915%0.14914%0.142CC..  trans-57.4131.4171.423.3-31000110.3Q183 E184 N185P181-Q183 PolarHBondContact O-N 3.49Å; P181-Q183 VanDerWaalsContact O-N 3.1Å; P181-E184 PolarHBondContact O-N 2.85Å; P181-N185 PolarHBondContact O-N 3.4Å
182V52.1Low64.3Low40 Ų4031.6 Ų31.624%0.24217%0.171CC..G310 helixtrans-62.8-23.3-1681600000115.4N78 E84 L180 E184 N185 L188N78-V182 VanDerWaalsContact ND2-CG1 3.26Å; N78-V182 WeakPolarHBondContact ND2-CG1 3.31Å; E84-V182 HydrophobicContact CG-CG2 4.36Å; E84-V182 WeakPolarHBondContact OE1-CB 3.45Å; E84-V182 WeakPolarHBondContact OE1-CG1 3.45Å; E84-V182 WeakPolarHBondContact OE1-CG2 3.36Å; E84-V182 WeakPolarHBondContact OE2-CG2 3.24Å; L180-V182 PolarHBondContact O-N 3.34Å; V182-E184 PolarHBondContact O-N 3.18Å; V182-N185 HydrophobicContact CG2-CB 4.23Å; V182-N185 PolarHBondContact O-N 2.78Å; V182-N185 VanDerWaalsContact O-N 3.11Å; V182-L188 HydrophobicContact CG2-CD1 3.76Å
183Q51.4Low63.6Low142 Ų14231.8 Ų31.866%0.66417%0.171SC*.G310 helixtrans-53.6-28.2172.4-70.9164.3-1.900112.6K77 P181K77-Q183 PolarHBondContact O-NE2 3.11Å; P181-Q183 PolarHBondContact O-N 3.49Å; P181-Q183 VanDerWaalsContact O-N 3.1Å
184E56.2Low63.1Low86 Ų8639.2 Ų39.240%0.40220%0.199SC..G310 helixtrans-117.76.2178.6-65-157.8-163.100114.6S108 S109 P181 V182 F186S108-E184 WeakPolarHBondContact CA-OE2 3.44Å; S108-E184 WeakPolarHBondContact CB-OE2 3.37Å; S109-E184 VanDerWaalsContact CB-O 3.32Å; S109-E184 WeakPolarHBondContact CB-O 3.39Å; S109-E184 PolarHBondContact N-OE2 3.26Å; S109-E184 VanDerWaalsContact N-OE2 3.11Å; S109-E184 PolarHBondContact OG-O 3.18Å; P181-E184 PolarHBondContact O-N 2.85Å; V182-E184 PolarHBondContact O-N 3.18Å; E184-F186 VanDerWaalsContact C-N 3.28Å; E184-F186 PolarHBondContact O-N 3.13Å
185N60.8Low63Low5 Ų538.4 Ų38.43%0.02719%0.192CC..  trans-83.870.1-168.4-158.4-14.6000112.4A177 L180 P181 V182 L187 L188A177-N185 PolarHBondContact O-ND2 3.46Å; A177-N185 PolarHBondContact O-OD1 3.46Å; L180-N185 HydrophobicContact CB-CB 4.39Å; L180-N185 PolarHBondContact O-ND2 3.4Å; P181-N185 PolarHBondContact O-N 3.4Å; V182-N185 HydrophobicContact CG2-CB 4.23Å; V182-N185 PolarHBondContact O-N 2.78Å; V182-N185 VanDerWaalsContact O-N 3.11Å; N185-L187 PolarHBondContact O-N 2.92Å; N185-L188 HydrophobicContact CB-CD1 4.04Å; N185-L188 HydrophobicContact CB-CG 4.36Å; N185-L188 WeakPolarHBondContact ND2-CD1 3.32Å; N185-L188 WeakPolarHBondContact ND2-CG 3.38Å; N185-L188 PolarHBondContact O-N 3.17Å
186F66.5Low62.9Low0 Ų041.8 Ų41.80%021%0.213CC..Hα-helixtrans-56-33.8179.379.1-83.5000112.5M113 E184 L188 K189 F190 Y243 S246 I247 V264M113-F186 HydrophobicContact CE-CZ 4.16Å; M113-F186 HydrophobicContact CG-CE1 3.99Å; M113-F186 HydrophobicContact CG-CZ 3.93Å; M113-F186 HydrophobicContact SD-CE1 3.96Å; M113-F186 HydrophobicContact SD-CZ 3.73Å; E184-F186 VanDerWaalsContact C-N 3.28Å; E184-F186 PolarHBondContact O-N 3.13Å; F186-L188 VanDerWaalsContact C-N 3.28Å; F186-L188 PolarHBondContact O-N 3.48Å; F186-K189 WeakPolarHBondContact O-CB 3.36Å; F186-K189 PolarHBondContact O-N 2.89Å; F186-F190 HydrophobicContact CD2-CD2 4.17Å; F186-F190 WeakPolarHBondContact O-CD2 3.26Å; F186-F190 PolarHBondContact O-N 3.23Å; F186-Y243 HydrophobicContact CB-CD1 3.32Å; F186-Y243 HydrophobicContact CB-CE1 3.37Å; F186-Y243 HydrophobicContact CB-CG 4.11Å; F186-Y243 HydrophobicContact CG-CD1 4.3Å; F186-S246 VanDerWaalsContact CE1-CB 3.45Å; F186-I247 HydrophobicContact CD2-CG1 4.48Å; F186-I247 HydrophobicContact CE2-CG1 3.85Å; F186-V264 HydrophobicContact CE2-CG1 4.32Å
187L65.2Low63Low8 Ų844.6 Ų44.64%0.04223%0.23CC..Hα-helixtrans-60.7-37-178.6-66.1170.5000112.1F112 M113 L173 A177 N185 K189 F190 Q191F112-L187 HydrophobicContact CD1-CD1 4.32Å; F112-L187 HydrophobicContact CE1-CD1 3.95Å; M113-L187 HydrophobicContact SD-CD1 4.01Å; L173-L187 HydrophobicContact CD1-CD1 4.38Å; L173-L187 HydrophobicContact CD2-CD1 4.01Å; L173-L187 HydrophobicContact CD2-CD2 3.4Å; L173-L187 VanDerWaalsContact CD2-CD2 3.4Å; L173-L187 HydrophobicContact CD2-CG 4.36Å; L173-L187 HydrophobicContact CG-CD1 3.85Å; L173-L187 HydrophobicContact CG-CD2 4.15Å; A177-L187 HydrophobicContact CB-CB 3.51Å; A177-L187 HydrophobicContact CB-CD1 3.51Å; A177-L187 HydrophobicContact CB-CG 4.14Å; N185-L187 PolarHBondContact O-N 2.92Å; L187-K189 VanDerWaalsContact C-N 3.35Å; L187-F190 CarbonylContact O-C 3.56Å; L187-F190 PolarHBondContact O-N 2.99Å; L187-Q191 WeakPolarHBondContact O-CG 3.17Å; L187-Q191 PolarHBondContact O-N 3.44Å
188L64.7Low63.4Low27 Ų2752.6 Ų52.614%0.14127%0.265CS..Hα-helixtrans-67.4-34.3174.3-69.1176.7000112.7Y35 R178 V182 N185 F186 F190 Q191Y35-L188 WeakPolarHBondContact OH-CD1 3.45Å; R178-L188 HydrophobicContact CG-CD2 4.21Å; V182-L188 HydrophobicContact CG2-CD1 3.76Å; N185-L188 HydrophobicContact CB-CD1 4.04Å; N185-L188 HydrophobicContact CB-CG 4.36Å; N185-L188 WeakPolarHBondContact ND2-CD1 3.32Å; N185-L188 WeakPolarHBondContact ND2-CG 3.38Å; N185-L188 PolarHBondContact O-N 3.17Å; F186-L188 VanDerWaalsContact C-N 3.28Å; F186-L188 PolarHBondContact O-N 3.48Å; L188-F190 VanDerWaalsContact C-N 3.35Å; L188-Q191 WeakPolarHBondContact O-CB 3.37Å; L188-Q191 PolarHBondContact O-N 2.74Å
189K64.1Low64.1Low99 Ų9955.1 Ų55.143%0.4328%0.278SS..Hα-helixtrans-67.5-40.5174.7-57.6-151.3-163.2168.60110.6F186 L187 Q191 G192 M233 L235 Y243F186-K189 WeakPolarHBondContact O-CB 3.36Å; F186-K189 PolarHBondContact O-N 2.89Å; L187-K189 VanDerWaalsContact C-N 3.35Å; K189-Q191 VanDerWaalsContact C-N 3.34Å; K189-Q191 PolarHBondContact O-N 3.44Å; K189-G192 PolarHBondContact O-N 2.97Å; K189-M233 HydrophobicContact CB-CE 4.4Å; K189-M233 WeakPolarHBondContact O-CE 3.38Å; K189-L235 HydrophobicContact CD-CD2 4.2Å; K189-Y243 WeakPolarHBondContact CD-OH 3.17Å; K189-Y243 WeakPolarHBondContact CE-OH 3.26Å; K189-Y243 PolarHBondContact NZ-OH 2.79Å
190F63.3Low65Low4 Ų454.3 Ų54.32%0.01827%0.274CS..Hα-helixtrans-72.7-19.2175.5-82.3-90000114F186 L187 L188 G192 I193 L224 L227 Y243 L265F186-F190 HydrophobicContact CD2-CD2 4.17Å; F186-F190 WeakPolarHBondContact O-CD2 3.26Å; F186-F190 PolarHBondContact O-N 3.23Å; L187-F190 CarbonylContact O-C 3.56Å; L187-F190 PolarHBondContact O-N 2.99Å; L188-F190 VanDerWaalsContact C-N 3.35Å; F190-G192 PolarHBondContact O-N 2.94Å; F190-G192 VanDerWaalsContact O-N 3.1Å; F190-I193 HydrophobicContact CD1-CB 4.33Å; F190-I193 HydrophobicContact CD1-CD1 3.71Å; F190-I193 HydrophobicContact CD1-CG1 4.3Å; F190-I193 HydrophobicContact CE1-CD1 3.72Å; F190-I193 HydrophobicContact CG-CD1 4.48Å; F190-I193 HydrophobicContact CZ-CD1 4.49Å; F190-I193 CarbonylContact O-C 3.47Å; F190-I193 WeakPolarHBondContact O-CA 3.07Å; F190-I193 WeakPolarHBondContact O-CB 3.44Å; F190-I193 PolarHBondContact O-N 2.9Å; F190-L224 HydrophobicContact CE1-CD2 4.12Å; F190-L224 HydrophobicContact CZ-CD2 3.63Å; F190-L227 HydrophobicContact CE1-CD1 4.1Å; F190-Y243 AromaticContact CE2-CD2 3.77Å; F190-Y243 HydrophobicContact CE2-CD2 3.77Å; F190-Y243 HydrophobicContact CE2-CE2 4.26Å; F190-Y243 HydrophobicContact CE2-CG 4.29Å; F190-L265 HydrophobicContact CD1-CD2 3.58Å; F190-L265 HydrophobicContact CE1-CD2 3.88Å
191Q59.5Low66Low50 Ų5056.3 Ų56.323%0.23429%0.285CS..THydrogen-bonded Turntrans-58.1-24.6171.1-83-176.80.300113.6S174 L187 L188 K189 R194S174-Q191 PolarHBondContact O-NE2 3.45Å; S174-Q191 VanDerWaalsContact O-NE2 3.15Å; L187-Q191 WeakPolarHBondContact O-CG 3.17Å; L187-Q191 PolarHBondContact O-N 3.44Å; L188-Q191 WeakPolarHBondContact O-CB 3.37Å; L188-Q191 PolarHBondContact O-N 2.74Å; K189-Q191 VanDerWaalsContact C-N 3.34Å; K189-Q191 PolarHBondContact O-N 3.44Å; Q191-R194 VanDerWaalsContact O-CG 3.26Å; Q191-R194 WeakPolarHBondContact O-CG 3.42Å; Q191-R194 PolarHBondContact O-NE 3.01Å
192G57.9Low67.3Low58 Ų5859.2 Ų59.260%0.59831%0.306SS*.THydrogen-bonded Turntrans-76.1-23.2172.100000113.6K189 F190 R194K189-G192 PolarHBondContact O-N 2.97Å; F190-G192 PolarHBondContact O-N 2.94Å; F190-G192 VanDerWaalsContact O-N 3.1Å; G192-R194 PolarHBondContact O-N 3.21Å
193I63.6Low68.9Low4 Ų458.5 Ų58.52%0.02130%0.3CS..  trans-89.685.4175.8-50.4-170.3000107.9F190 L195 L227 N231 M233F190-I193 HydrophobicContact CD1-CB 4.33Å; F190-I193 HydrophobicContact CD1-CD1 3.71Å; F190-I193 HydrophobicContact CD1-CG1 4.3Å; F190-I193 HydrophobicContact CE1-CD1 3.72Å; F190-I193 HydrophobicContact CG-CD1 4.48Å; F190-I193 HydrophobicContact CZ-CD1 4.49Å; F190-I193 CarbonylContact O-C 3.47Å; F190-I193 WeakPolarHBondContact O-CA 3.07Å; F190-I193 WeakPolarHBondContact O-CB 3.44Å; F190-I193 PolarHBondContact O-N 2.9Å; I193-L195 HydrophobicContact CG2-CG 4.49Å; I193-L227 HydrophobicContact CD1-CB 4.41Å; I193-L227 HydrophobicContact CG2-CD2 3.99Å; I193-N231 HydrophobicContact CD1-CB 4.21Å; I193-N231 HydrophobicContact CG1-CB 4.3Å; I193-N231 WeakPolarHBondContact CG1-ND2 3.49Å; I193-M233 HydrophobicContact CD1-CE 3.38Å; I193-M233 HydrophobicContact CD1-SD 3.69Å; I193-M233 HydrophobicContact CG1-CE 3.42Å; I193-M233 VanDerWaalsContact CG1-CE 3.42Å; I193-M233 HydrophobicContact CG1-SD 4.38Å
194R63.8Low70.4Confident163 Ų16352.4 Ų52.462%0.61527%0.272SS*.  trans-98.9105.7-179.9-61.7-177178.7-171.2-4.3109.7Q191 G192Q191-R194 VanDerWaalsContact O-CG 3.26Å; Q191-R194 WeakPolarHBondContact O-CG 3.42Å; Q191-R194 PolarHBondContact O-NE 3.01Å; G192-R194 PolarHBondContact O-N 3.21Å
195L69.8Low71.9Confident20 Ų2053.2 Ų53.211%0.10528%0.283CS..BIsolated β-bridgetrans-96.8140.7171.9-60.6176.1000110.1I193 E199 F200 L203 L265I193-L195 HydrophobicContact CG2-CG 4.49Å; L195-E199 HydrophobicContact CB-CB 4.33Å; L195-E199 HydrophobicContact CD2-CB 4.25Å; L195-F200 HydrophobicContact CB-CB 4.41Å; L195-L203 HydrophobicContact CD1-CD1 4.1Å; L195-L203 HydrophobicContact CD1-CD2 4.44Å; L195-L265 HydrophobicContact CD1-CB 4.47Å; L195-L265 PolarHBondContact N-O 3.24Å
196T73.4Confident73.1Confident79 Ų7959.4 Ų59.449%0.48531%0.31SS..  trans-73.1156.5165.161.50000110.2K198 E199 F200T196-K198 PolarHBondContact O-N 3.08Å; T196-E199 WeakPolarHBondContact CB-OE2 3.27Å; T196-E199 WeakPolarHBondContact CG2-OE2 3.34Å; T196-E199 PolarHBondContact N-OE2 3.35Å; T196-E199 PolarHBondContact O-N 3.4Å; T196-E199 VanDerWaalsContact OG1-CD 3.31Å; T196-E199 VanDerWaalsContact OG1-CG 3.27Å; T196-E199 WeakPolarHBondContact OG1-CG 3.37Å; T196-E199 PolarHBondContact OG1-N 3.03Å; T196-E199 PolarHBondContact OG1-OE2 3.25Å; T196-F200 WeakPolarHBondContact O-CB 3.41Å; T196-F200 PolarHBondContact O-N 2.85Å
197V74.9Confident74.2Confident62 Ų6260.2 Ų60.238%0.37631%0.313SS..Hα-helixtrans-50.9-37.1176.9-178.50000112D201V197-D201 WeakPolarHBondContact O-CB 3.26Å; V197-D201 PolarHBondContact O-N 3.4Å
198K77.3Confident75.2Confident168 Ų16860.9 Ų60.973%0.7332%0.316SS*.Hα-helixtrans-71.1-39.5178.2-68-175179.61800113.6T196 F200 S202T196-K198 PolarHBondContact O-N 3.08Å; K198-F200 VanDerWaalsContact C-N 3.34Å; K198-S202 WeakPolarHBondContact O-CB 3.34Å; K198-S202 PolarHBondContact O-N 2.98Å; K198-S202 VanDerWaalsContact O-N 3.1Å; K198-S202 PolarHBondContact O-OG 3.21Å
199E80.6Confident76.1Confident99 Ų9967.4 Ų67.446%0.46334%0.344SS..Hα-helixtrans-68.7-40.4176.1-71.4166.8133.700110.3L195 T196 S202 L203L195-E199 HydrophobicContact CB-CB 4.33Å; L195-E199 HydrophobicContact CD2-CB 4.25Å; T196-E199 WeakPolarHBondContact CB-OE2 3.27Å; T196-E199 WeakPolarHBondContact CG2-OE2 3.34Å; T196-E199 PolarHBondContact N-OE2 3.35Å; T196-E199 PolarHBondContact O-N 3.4Å; T196-E199 VanDerWaalsContact OG1-CD 3.31Å; T196-E199 VanDerWaalsContact OG1-CG 3.27Å; T196-E199 WeakPolarHBondContact OG1-CG 3.37Å; T196-E199 PolarHBondContact OG1-N 3.03Å; T196-E199 PolarHBondContact OG1-OE2 3.25Å; E199-S202 PolarHBondContact O-N 3.35Å; E199-L203 WeakPolarHBondContact O-CB 3.41Å; E199-L203 PolarHBondContact O-N 2.79Å
200F81.8Confident77.1Confident0 Ų067.5 Ų67.50%035%0.349CS..Hα-helixtrans-61.2-46.5172.4176.7-89.7000111.8L195 T196 K198 S202 L203 F204 R258 M261 E262 L265 C266L195-F200 HydrophobicContact CB-CB 4.41Å; T196-F200 WeakPolarHBondContact O-CB 3.41Å; T196-F200 PolarHBondContact O-N 2.85Å; K198-F200 VanDerWaalsContact C-N 3.34Å; F200-S202 VanDerWaalsContact C-N 3.29Å; F200-S202 PolarHBondContact O-N 3.29Å; F200-L203 CarbonylContact O-C 3.48Å; F200-L203 WeakPolarHBondContact O-CB 3.44Å; F200-L203 PolarHBondContact O-N 2.71Å; F200-L203 VanDerWaalsContact O-N 3.08Å; F200-F204 HydrophobicContact CE1-CB 4.13Å; F200-F204 HydrophobicContact CE1-CD2 4.16Å; F200-F204 HydrophobicContact CE1-CG 4.4Å; F200-F204 HydrophobicContact CZ-CB 4.32Å; F200-F204 AromaticContact CZ-CD2 3.78Å; F200-F204 HydrophobicContact CZ-CD2 3.78Å; F200-F204 HydrophobicContact CZ-CG 4.42Å; F200-F204 WeakPolarHBondContact O-CB 2.92Å; F200-F204 PolarHBondContact O-N 3.48Å; F200-R258 HydrophobicContact CE1-CG 3.91Å; F200-M261 HydrophobicContact CE2-CB 3.74Å; F200-M261 WeakPolarHBondContact CE2-O 3.17Å; F200-M261 HydrophobicContact CZ-CB 3.51Å; F200-E262 HydrophobicContact CD1-CG 3.69Å; F200-E262 HydrophobicContact CE1-CB 4.4Å; F200-E262 HydrophobicContact CE1-CG 3.21Å; F200-E262 HydrophobicContact CE2-CG 4.3Å; F200-E262 HydrophobicContact CG-CG 4.42Å; F200-E262 HydrophobicContact CZ-CB 4.32Å; F200-E262 HydrophobicContact CZ-CG 3.55Å; F200-L265 HydrophobicContact CD2-CB 3.96Å; F200-L265 HydrophobicContact CD2-CD1 4.41Å; F200-L265 HydrophobicContact CE2-CB 4.11Å; F200-L265 HydrophobicContact CE2-CD1 4.19Å; F200-C266 WeakPolarHBondContact CB-SG 3.33Å; F200-C266 WeakPolarHBondContact CG-SG 3.39Å
201D82.1Confident78.1Confident46 Ų4670 Ų7025%0.24638%0.376CS..Hα-helixtrans-59.1-43.2178-79.85.6000112.3V197 L203 T205 R258V197-D201 WeakPolarHBondContact O-CB 3.26Å; V197-D201 PolarHBondContact O-N 3.4Å; D201-L203 VanDerWaalsContact C-N 3.31Å; D201-T205 VanDerWaalsContact O-CB 3.31Å; D201-T205 WeakPolarHBondContact O-CB 3.45Å; D201-T205 PolarHBondContact O-N 3.31Å; D201-T205 PolarHBondContact O-OG1 3.49Å; D201-R258 VanDerWaalsContact CG-NH2 3.26Å; D201-R258 IonicContact OD1-CZ 2.75Å; D201-R258 IonicContact OD1-NE 3.66Å; D201-R258 IonicContact OD1-NH1 3.91Å; D201-R258 PolarHBondContact OD1-NH1 3.29Å; D201-R258 IonicContact OD1-NH2 2.79Å; D201-R258 PolarHBondContact OD1-NH2 2.82Å; D201-R258 IonicContact OD2-CZ 3Å; D201-R258 IonicContact OD2-NH1 2.67Å; D201-R258 PolarHBondContact OD2-NH1 3.4Å; D201-R258 IonicContact OD2-NH2 3.75Å; D201-R258 PolarHBondContact OD2-NH2 2.81Å
202S84.7Confident79.4Confident84 Ų8470 Ų7059%0.58738%0.378SS*.Hα-helixtrans-65.5-39.3177.1-55.40000111.1K198 E199 F200 F206K198-S202 WeakPolarHBondContact O-CB 3.34Å; K198-S202 PolarHBondContact O-N 2.98Å; K198-S202 VanDerWaalsContact O-N 3.1Å; K198-S202 PolarHBondContact O-OG 3.21Å; E199-S202 PolarHBondContact O-N 3.35Å; F200-S202 VanDerWaalsContact C-N 3.29Å; F200-S202 PolarHBondContact O-N 3.29Å; S202-F206 WeakPolarHBondContact O-CB 3.32Å; S202-F206 PolarHBondContact O-N 3.03Å; S202-F206 VanDerWaalsContact O-N 3.09Å
203L84.8Confident80.7Confident24 Ų2468.9 Ų68.913%0.12637%0.366CS..Hα-helixtrans-69.1-50.4179-176130.5000111.1L195 E199 F200 D201 T205 F206 Y207 L223 L227 L265L195-L203 HydrophobicContact CD1-CD1 4.1Å; L195-L203 HydrophobicContact CD1-CD2 4.44Å; E199-L203 WeakPolarHBondContact O-CB 3.41Å; E199-L203 PolarHBondContact O-N 2.79Å; F200-L203 CarbonylContact O-C 3.48Å; F200-L203 WeakPolarHBondContact O-CB 3.44Å; F200-L203 PolarHBondContact O-N 2.71Å; F200-L203 VanDerWaalsContact O-N 3.08Å; D201-L203 VanDerWaalsContact C-N 3.31Å; L203-T205 PolarHBondContact O-N 3Å; L203-F206 WeakPolarHBondContact O-CB 3.07Å; L203-F206 PolarHBondContact O-N 3.22Å; L203-F206 VanDerWaalsContact O-N 3.08Å; L203-Y207 HydrophobicContact CD1-CE2 4.1Å; L203-Y207 HydrophobicContact CD2-CD2 4.2Å; L203-Y207 HydrophobicContact CD2-CE2 4.36Å; L203-Y207 HydrophobicContact CG-CD2 3.88Å; L203-Y207 HydrophobicContact CG-CE2 3.75Å; L203-Y207 WeakPolarHBondContact O-CD2 3.26Å; L203-Y207 PolarHBondContact O-N 3.4Å; L203-L223 HydrophobicContact CD2-CD1 3.52Å; L203-L223 HydrophobicContact CD2-CD2 4.45Å; L203-L223 HydrophobicContact CD2-CG 3.93Å; L203-L227 HydrophobicContact CD1-CD2 4.09Å; L203-L265 HydrophobicContact CD2-CD1 4.35Å
204F84Confident81.8Confident15 Ų1571.1 Ų71.17%0.06638%0.375CS..Hα-helixtrans-57.5-49.4178-168.5-80.6000111F200 F206 Y207 D208 I215 R258 M261F200-F204 HydrophobicContact CE1-CB 4.13Å; F200-F204 HydrophobicContact CE1-CD2 4.16Å; F200-F204 HydrophobicContact CE1-CG 4.4Å; F200-F204 HydrophobicContact CZ-CB 4.32Å; F200-F204 AromaticContact CZ-CD2 3.78Å; F200-F204 HydrophobicContact CZ-CD2 3.78Å; F200-F204 HydrophobicContact CZ-CG 4.42Å; F200-F204 WeakPolarHBondContact O-CB 2.92Å; F200-F204 PolarHBondContact O-N 3.48Å; F204-F206 PolarHBondContact O-N 2.73Å; F204-Y207 PolarHBondContact O-N 2.91Å; F204-D208 HydrophobicContact CD1-CB 4.42Å; F204-D208 HydrophobicContact CE1-CB 4.3Å; F204-D208 WeakPolarHBondContact O-CB 3.48Å; F204-D208 PolarHBondContact O-N 2.84Å; F204-I215 HydrophobicContact CD2-CG1 4.02Å; F204-I215 HydrophobicContact CE2-CG1 3.64Å; F204-I215 HydrophobicContact CZ-CG1 3.96Å; F204-R258 HydrophobicContact CE2-CB 4.19Å; F204-R258 HydrophobicContact CZ-CB 4.11Å; F204-M261 HydrophobicContact CD2-CB 4.13Å; F204-M261 HydrophobicContact CD2-CG 4.34Å; F204-M261 HydrophobicContact CE2-CB 4.08Å; F204-M261 HydrophobicContact CE2-CG 4Å
205T86.5Confident83.1Confident103 Ų10363.3 Ų63.363%0.63235%0.346SS*.Hα-helixtrans-64.3-27.8177.8-50.30000112.6D201 L203D201-T205 VanDerWaalsContact O-CB 3.31Å; D201-T205 WeakPolarHBondContact O-CB 3.45Å; D201-T205 PolarHBondContact O-N 3.31Å; D201-T205 PolarHBondContact O-OG1 3.49Å; L203-T205 PolarHBondContact O-N 3Å
206F87.7Confident84Confident134 Ų13464.5 Ų64.559%0.58835%0.352SS*.Hα-helixtrans-75.7-35.1178.5179.9-96.2000112.6S202 L203 F204S202-F206 WeakPolarHBondContact O-CB 3.32Å; S202-F206 PolarHBondContact O-N 3.03Å; S202-F206 VanDerWaalsContact O-N 3.09Å; L203-F206 WeakPolarHBondContact O-CB 3.07Å; L203-F206 PolarHBondContact O-N 3.22Å; L203-F206 VanDerWaalsContact O-N 3.08Å; F204-F206 PolarHBondContact O-N 2.73Å
207Y87.9Confident84.7Confident18 Ų1865.8 Ų65.87%0.07135%0.352CS..Hα-helixtrans-90.7-26.3-179.9-69.8-74.7000114L203 F204 K209 E219 A222 L223 D226L203-Y207 HydrophobicContact CD1-CE2 4.1Å; L203-Y207 HydrophobicContact CD2-CD2 4.2Å; L203-Y207 HydrophobicContact CD2-CE2 4.36Å; L203-Y207 HydrophobicContact CG-CD2 3.88Å; L203-Y207 HydrophobicContact CG-CE2 3.75Å; L203-Y207 WeakPolarHBondContact O-CD2 3.26Å; L203-Y207 PolarHBondContact O-N 3.4Å; F204-Y207 PolarHBondContact O-N 2.91Å; Y207-K209 PolarHBondContact O-N 3.45Å; Y207-E219 VanDerWaalsContact O-CD 3.28Å; Y207-E219 WeakPolarHBondContact O-CG 3.02Å; Y207-E219 VanDerWaalsContact O-OE1 3.1Å; Y207-A222 HydrophobicContact CD1-CB 4.16Å; Y207-A222 HydrophobicContact CE1-CB 4.19Å; Y207-L223 HydrophobicContact CD1-CB 3.94Å; Y207-L223 HydrophobicContact CD2-CB 3.88Å; Y207-L223 HydrophobicContact CD2-CD1 3.7Å; Y207-L223 HydrophobicContact CD2-CG 3.79Å; Y207-L223 HydrophobicContact CE1-CB 4.2Å; Y207-L223 HydrophobicContact CE2-CB 4.15Å; Y207-L223 HydrophobicContact CE2-CD1 4.39Å; Y207-L223 HydrophobicContact CE2-CG 4.03Å; Y207-L223 HydrophobicContact CG-CB 3.81Å; Y207-L223 HydrophobicContact CG-CD1 4.06Å; Y207-L223 HydrophobicContact CG-CG 4.21Å; Y207-D226 WeakPolarHBondContact OH-CB 3.03Å; Y207-D226 PolarHBondContact OH-OD2 3.48Å
208D87.9Confident85.2Confident21 Ų2170.4 Ų70.411%0.11237%0.37CS..  trans-71.378.4167.4179.16.3000109.1F204 G211 N212 G213 I215F204-D208 HydrophobicContact CD1-CB 4.42Å; F204-D208 HydrophobicContact CE1-CB 4.3Å; F204-D208 WeakPolarHBondContact O-CB 3.48Å; F204-D208 PolarHBondContact O-N 2.84Å; D208-G211 PolarHBondContact O-N 2.92Å; D208-G211 WeakPolarHBondContact OD1-CA 3.49Å; D208-G211 PolarHBondContact OD1-N 3.22Å; D208-N212 PolarHBondContact OD1-N 3.31Å; D208-G213 WeakPolarHBondContact OD2-CA 3.3Å; D208-G213 PolarHBondContact OD2-N 3.12Å; D208-I215 HydrophobicContact CB-CD1 3.96Å
209K82.1Confident85.8Confident164 Ų16463.3 Ų63.371%0.71334%0.339SS*.  trans-75.4-30.4-168.9-78.1-179.4-178.4169.80112.3Y207 E219Y207-K209 PolarHBondContact O-N 3.45Å; K209-E219 PolarHBondContact N-OE1 3.37Å
210D84.8Confident86.1Confident101 Ų10158.6 Ų58.654%0.5432%0.317SS..SBendtrans-90.8-8.7179.871.60.4000112.5N212D210-N212 VanDerWaalsContact C-N 3.26Å; D210-N212 PolarHBondContact O-N 3.05Å; D210-N212 WeakPolarHBondContact OD1-CB 3.24Å; D210-N212 PolarHBondContact OD1-N 2.72Å; D210-N212 PolarHBondContact OD1-ND2 2.75Å; D210-N212 PolarHBondContact OD2-ND2 3.1Å
211G85.4Confident86.3Confident58 Ų5860.7 Ų60.760%0.59833%0.328SS*.  trans68.826.4177.300000112.4D208 G213D208-G211 PolarHBondContact O-N 2.92Å; D208-G211 WeakPolarHBondContact OD1-CA 3.49Å; D208-G211 PolarHBondContact OD1-N 3.22Å; G211-G213 PolarHBondContact O-N 2.85Å
212N86.1Confident86.6Confident49 Ų4960 Ų6026%0.26233%0.329SS..SBendtrans-77.2-8.3-177.272.229.7000112.3D208 D210 Y214D208-N212 PolarHBondContact OD1-N 3.31Å; D210-N212 VanDerWaalsContact C-N 3.26Å; D210-N212 PolarHBondContact O-N 3.05Å; D210-N212 WeakPolarHBondContact OD1-CB 3.24Å; D210-N212 PolarHBondContact OD1-N 2.72Å; D210-N212 PolarHBondContact OD1-ND2 2.75Å; D210-N212 PolarHBondContact OD2-ND2 3.1Å; N212-Y214 HydrophobicContact CB-CD1 4.22Å; N212-Y214 HydrophobicContact CB-CE1 3.74Å; N212-Y214 WeakPolarHBondContact ND2-CE2 3.1Å; N212-Y214 PolarHBondContact ND2-OH 3.11Å; N212-Y214 WeakPolarHBondContact OD1-CA 3.48Å; N212-Y214 WeakPolarHBondContact OD1-CD1 3.49Å; N212-Y214 WeakPolarHBondContact OD1-CD2 3.43Å; N212-Y214 VanDerWaalsContact OD1-CE1 3.31Å; N212-Y214 WeakPolarHBondContact OD1-CE1 3.35Å; N212-Y214 PolarHBondContact OD1-N 3.27Å; N212-Y214 PolarHBondContact OD1-O 3.36Å
213G85.3Confident86.6Confident35 Ų3556 Ų5636%0.36130%0.302SS..SBendtrans84.210.9178.100000114.8D208 G211D208-G213 WeakPolarHBondContact OD2-CA 3.3Å; D208-G213 PolarHBondContact OD2-N 3.12Å; G211-G213 PolarHBondContact O-N 2.85Å
214Y88.1Confident86.5Confident50 Ų5055 Ų5520%0.19630%0.296CS..EExtended strand (participates in β ladder)trans-144151.2174.660.2-95.5000111.1N212 D216 K255 L256 Y257N212-Y214 HydrophobicContact CB-CD1 4.22Å; N212-Y214 HydrophobicContact CB-CE1 3.74Å; N212-Y214 WeakPolarHBondContact ND2-CE2 3.1Å; N212-Y214 PolarHBondContact ND2-OH 3.11Å; N212-Y214 WeakPolarHBondContact OD1-CA 3.48Å; N212-Y214 WeakPolarHBondContact OD1-CD1 3.49Å; N212-Y214 WeakPolarHBondContact OD1-CD2 3.43Å; N212-Y214 VanDerWaalsContact OD1-CE1 3.31Å; N212-Y214 WeakPolarHBondContact OD1-CE1 3.35Å; N212-Y214 PolarHBondContact OD1-N 3.27Å; N212-Y214 PolarHBondContact OD1-O 3.36Å; Y214-D216 HydrophobicContact CE2-CB 4.4Å; Y214-K255 HydrophobicContact CD1-CB 4.39Å; Y214-K255 HydrophobicContact CD1-CD 3.91Å; Y214-K255 HydrophobicContact CD1-CG 4.37Å; Y214-K255 HydrophobicContact CD2-CB 3.71Å; Y214-K255 HydrophobicContact CD2-CD 4.07Å; Y214-K255 HydrophobicContact CD2-CG 3.67Å; Y214-K255 HydrophobicContact CE1-CD 3.75Å; Y214-K255 HydrophobicContact CE1-CG 4.4Å; Y214-K255 HydrophobicContact CE2-CB 4.29Å; Y214-K255 HydrophobicContact CE2-CD 3.94Å; Y214-K255 HydrophobicContact CE2-CG 3.72Å; Y214-K255 HydrophobicContact CG-CB 3.78Å; Y214-K255 HydrophobicContact CG-CD 4.07Å; Y214-K255 HydrophobicContact CG-CG 4.02Å; Y214-L256 CarbonylContact C-O 3.59Å; Y214-L256 VanDerWaalsContact CA-O 3.3Å; Y214-L256 WeakPolarHBondContact CA-O 3.36Å; Y214-Y257 HydrophobicContact CD1-CE1 4.17Å
215I89.3Confident86.5Confident0 Ų058.8 Ų58.80%031%0.313CS..EExtended strand (participates in β ladder)trans-89.4123.4172.5-63.3-62.5000108.1F204 D208 E219 L220 L256F204-I215 HydrophobicContact CD2-CG1 4.02Å; F204-I215 HydrophobicContact CE2-CG1 3.64Å; F204-I215 HydrophobicContact CZ-CG1 3.96Å; D208-I215 HydrophobicContact CB-CD1 3.96Å; I215-E219 WeakPolarHBondContact CA-OE2 3.29Å; I215-E219 HydrophobicContact CD1-CB 4.28Å; I215-E219 HydrophobicContact CG2-CB 3.78Å; I215-L220 HydrophobicContact CG2-CB 3.84Å; I215-L256 HydrophobicContact CB-CB 4.18Å; I215-L256 PolarHBondContact N-O 3.3Å; I215-L256 WeakPolarHBondContact O-CB 3.38Å; I215-L256 PolarHBondContact O-N 2.72Å
216D89.6Confident86.3Confident45 Ų4557.5 Ų57.524%0.24130%0.302CS..  trans-86.1178.8172.380.421.5000112.6Y214 Q218 E219 L220Y214-D216 HydrophobicContact CE2-CB 4.4Å; D216-Q218 VanDerWaalsContact C-N 3.26Å; D216-Q218 PolarHBondContact O-N 3.11Å; D216-Q218 WeakPolarHBondContact OD1-CA 3.19Å; D216-Q218 WeakPolarHBondContact OD1-CB 3.33Å; D216-Q218 PolarHBondContact OD1-N 2.84Å; D216-E219 PolarHBondContact N-OE2 3.41Å; D216-E219 PolarHBondContact O-N 2.86Å; D216-E219 PolarHBondContact OD1-N 3.03Å; D216-L220 VanDerWaalsContact O-CB 3.3Å; D216-L220 WeakPolarHBondContact O-CB 3.5Å; D216-L220 PolarHBondContact O-N 3.34Å
217E87Confident85.9Confident105 Ų10551.3 Ų51.349%0.49128%0.275SS..Hα-helixtrans-60.7-32.6-178.2-170.8-175.716600113.7D221 K244 M248E217-D221 PolarHBondContact O-N 3.34Å; E217-K244 VanDerWaalsContact CG-NZ 3.27Å; E217-K244 WeakPolarHBondContact O-CE 3.42Å; E217-K244 WeakPolarHBondContact OE1-CE 3.36Å; E217-K244 IonicContact OE1-NZ 2.81Å; E217-K244 PolarHBondContact OE1-NZ 2.9Å; E217-M248 HydrophobicContact CB-CE 3.93Å; E217-M248 HydrophobicContact CB-SD 4.32Å; E217-M248 HydrophobicContact CG-CE 4.35Å
218Q86.9Confident85.4Confident159 Ų15951 Ų5174%0.74328%0.275SS*.Hα-helixtrans-79.3-40.3-179.3-57.8179.813.200111D216 D221 A222D216-Q218 VanDerWaalsContact C-N 3.26Å; D216-Q218 PolarHBondContact O-N 3.11Å; D216-Q218 WeakPolarHBondContact OD1-CA 3.19Å; D216-Q218 WeakPolarHBondContact OD1-CB 3.33Å; D216-Q218 PolarHBondContact OD1-N 2.84Å; Q218-D221 PolarHBondContact O-N 3.12Å; Q218-A222 PolarHBondContact O-N 2.99Å
219E89.4Confident85Confident19 Ų1955.9 Ų55.99%0.08930%0.301CS..Hα-helixtrans-66.9-39.4175.8-67.4174.2142.500111.1Y207 K209 I215 D216 D221 A222 L223Y207-E219 VanDerWaalsContact O-CD 3.28Å; Y207-E219 WeakPolarHBondContact O-CG 3.02Å; Y207-E219 VanDerWaalsContact O-OE1 3.1Å; K209-E219 PolarHBondContact N-OE1 3.37Å; I215-E219 WeakPolarHBondContact CA-OE2 3.29Å; I215-E219 HydrophobicContact CD1-CB 4.28Å; I215-E219 HydrophobicContact CG2-CB 3.78Å; D216-E219 PolarHBondContact N-OE2 3.41Å; D216-E219 PolarHBondContact O-N 2.86Å; D216-E219 PolarHBondContact OD1-N 3.03Å; E219-D221 VanDerWaalsContact C-N 3.34Å; E219-D221 PolarHBondContact O-N 3.27Å; E219-A222 PolarHBondContact O-N 2.95Å; E219-L223 WeakPolarHBondContact O-CB 3.33Å; E219-L223 PolarHBondContact O-N 3.23Å
220L87.2Confident84.8Confident0 Ų055.8 Ų55.80%030%0.301CS..Hα-helixtrans-61.6-41.2173.3-178.666.4000111.8I215 D216 A222 L223 L224 K244 I247 M248 L256 M261I215-L220 HydrophobicContact CG2-CB 3.84Å; D216-L220 VanDerWaalsContact O-CB 3.3Å; D216-L220 WeakPolarHBondContact O-CB 3.5Å; D216-L220 PolarHBondContact O-N 3.34Å; L220-A222 VanDerWaalsContact C-N 3.32Å; L220-A222 PolarHBondContact O-N 3.29Å; L220-L223 PolarHBondContact O-N 2.91Å; L220-L224 HydrophobicContact CD1-CD1 4.05Å; L220-L224 HydrophobicContact CD1-CD2 4.4Å; L220-L224 HydrophobicContact CD1-CG 3.95Å; L220-L224 HydrophobicContact CD2-CD1 4.28Å; L220-L224 HydrophobicContact CG-CD1 3.81Å; L220-L224 HydrophobicContact CG-CG 4.13Å; L220-L224 WeakPolarHBondContact O-CB 3.28Å; L220-L224 VanDerWaalsContact O-CG 3.28Å; L220-L224 WeakPolarHBondContact O-CG 3.39Å; L220-L224 PolarHBondContact O-N 3.3Å; L220-K244 HydrophobicContact CD2-CG 4.01Å; L220-I247 HydrophobicContact CD1-CG2 3.93Å; L220-I247 HydrophobicContact CD2-CB 4.12Å; L220-I247 HydrophobicContact CD2-CG2 3.96Å; L220-M248 HydrophobicContact CD2-CG 3.6Å; L220-M248 HydrophobicContact CD2-SD 3.68Å; L220-L256 HydrophobicContact CB-CD1 4.45Å; L220-L256 HydrophobicContact CD1-CD1 4.09Å; L220-L256 HydrophobicContact CD2-CD1 3.71Å; L220-L256 HydrophobicContact CG-CD1 4.29Å; L220-M261 HydrophobicContact CD1-CE 4.42Å; L220-M261 HydrophobicContact CD1-SD 4.29Å
221D86.3Confident84.1Confident44 Ų4454.1 Ų54.124%0.23529%0.292CS..Hα-helixtrans-61.1-41.8178.7-172.186.2000111.8E217 Q218 E219 K225E217-D221 PolarHBondContact O-N 3.34Å; Q218-D221 PolarHBondContact O-N 3.12Å; E219-D221 VanDerWaalsContact C-N 3.34Å; E219-D221 PolarHBondContact O-N 3.27Å; D221-K225 WeakPolarHBondContact O-CG 3.21Å; D221-K225 PolarHBondContact O-N 2.73Å; D221-K225 VanDerWaalsContact O-N 3.15Å; D221-K225 WeakPolarHBondContact OD2-CE 3.13Å; D221-K225 IonicContact OD2-NZ 3.78Å; D221-K225 PolarHBondContact OD2-NZ 3.11Å
222A87.1Confident83.4Confident32 Ų3260.4 Ų60.426%0.26430%0.303SS..Hα-helixtrans-66.3-44.5175.300000112Y207 Q218 E219 L220 K225 D226Y207-A222 HydrophobicContact CD1-CB 4.16Å; Y207-A222 HydrophobicContact CE1-CB 4.19Å; Q218-A222 PolarHBondContact O-N 2.99Å; E219-A222 PolarHBondContact O-N 2.95Å; L220-A222 VanDerWaalsContact C-N 3.32Å; L220-A222 PolarHBondContact O-N 3.29Å; A222-K225 PolarHBondContact O-N 2.78Å; A222-D226 PolarHBondContact O-N 3.09Å; A222-D226 VanDerWaalsContact O-N 3.11Å
223L85.9Confident82.5Confident1 Ų160.2 Ų60.21%0.00530%0.301CS..Hα-helixtrans-60.6-46.4178.4-178.3156.3000111.7L203 Y207 E219 L220 D226 L227 M261 L265L203-L223 HydrophobicContact CD2-CD1 3.52Å; L203-L223 HydrophobicContact CD2-CD2 4.45Å; L203-L223 HydrophobicContact CD2-CG 3.93Å; Y207-L223 HydrophobicContact CD1-CB 3.94Å; Y207-L223 HydrophobicContact CD2-CB 3.88Å; Y207-L223 HydrophobicContact CD2-CD1 3.7Å; Y207-L223 HydrophobicContact CD2-CG 3.79Å; Y207-L223 HydrophobicContact CE1-CB 4.2Å; Y207-L223 HydrophobicContact CE2-CB 4.15Å; Y207-L223 HydrophobicContact CE2-CD1 4.39Å; Y207-L223 HydrophobicContact CE2-CG 4.03Å; Y207-L223 HydrophobicContact CG-CB 3.81Å; Y207-L223 HydrophobicContact CG-CD1 4.06Å; Y207-L223 HydrophobicContact CG-CG 4.21Å; E219-L223 WeakPolarHBondContact O-CB 3.33Å; E219-L223 PolarHBondContact O-N 3.23Å; L220-L223 PolarHBondContact O-N 2.91Å; L223-D226 PolarHBondContact O-N 3.15Å; L223-L227 HydrophobicContact CD2-CD1 3.48Å; L223-L227 VanDerWaalsContact CD2-CD1 3.48Å; L223-L227 HydrophobicContact CD2-CG 4.2Å; L223-L227 HydrophobicContact CG-CD1 4.44Å; L223-L227 WeakPolarHBondContact O-CB 3.39Å; L223-L227 WeakPolarHBondContact O-CG 3.2Å; L223-L227 PolarHBondContact O-N 2.91Å; L223-M261 HydrophobicContact CD1-CE 3.44Å; L223-M261 VanDerWaalsContact CD1-CE 3.44Å; L223-M261 HydrophobicContact CD2-CE 4.05Å; L223-M261 HydrophobicContact CG-CE 4.44Å; L223-L265 HydrophobicContact CD2-CD1 4.13Å
224L82.1Confident81.2Confident1 Ų166.7 Ų66.71%0.00533%0.327CS..Hα-helixtrans-66.3-40.8-179.3-68.9174.6000111.6F190 L220 L227 C228 L240 K244 I247F190-L224 HydrophobicContact CE1-CD2 4.12Å; F190-L224 HydrophobicContact CZ-CD2 3.63Å; L220-L224 HydrophobicContact CD1-CD1 4.05Å; L220-L224 HydrophobicContact CD1-CD2 4.4Å; L220-L224 HydrophobicContact CD1-CG 3.95Å; L220-L224 HydrophobicContact CD2-CD1 4.28Å; L220-L224 HydrophobicContact CG-CD1 3.81Å; L220-L224 HydrophobicContact CG-CG 4.13Å; L220-L224 WeakPolarHBondContact O-CB 3.28Å; L220-L224 VanDerWaalsContact O-CG 3.28Å; L220-L224 WeakPolarHBondContact O-CG 3.39Å; L220-L224 PolarHBondContact O-N 3.3Å; L224-L227 PolarHBondContact O-N 3Å; L224-C228 WeakPolarHBondContact O-CB 3.26Å; L224-C228 PolarHBondContact O-N 3.1Å; L224-C228 PolarHBondContact O-SG 3.15Å; L224-L240 HydrophobicContact CB-CD1 3.75Å; L224-K244 HydrophobicContact CD1-CB 3.9Å; L224-K244 HydrophobicContact CD1-CG 4.47Å; L224-I247 HydrophobicContact CD1-CD1 4.27Å; L224-I247 HydrophobicContact CD2-CD1 3.64Å
225K83.6Confident79.9Confident96 Ų9665.9 Ų65.942%0.41733%0.326SS..Hα-helixtrans-58.3-50.1175-78.9171.5176.9158.90111.8D221 A222 L227 C228 D229 L240D221-K225 WeakPolarHBondContact O-CG 3.21Å; D221-K225 PolarHBondContact O-N 2.73Å; D221-K225 VanDerWaalsContact O-N 3.15Å; D221-K225 WeakPolarHBondContact OD2-CE 3.13Å; D221-K225 IonicContact OD2-NZ 3.78Å; D221-K225 PolarHBondContact OD2-NZ 3.11Å; A222-K225 PolarHBondContact O-N 2.78Å; K225-L227 PolarHBondContact O-N 2.86Å; K225-C228 PolarHBondContact O-N 3.07Å; K225-D229 WeakPolarHBondContact O-CB 3.42Å; K225-D229 PolarHBondContact O-N 3.01Å; K225-L240 HydrophobicContact CG-CD2 3.9Å
226D83.4Confident78.6Confident76 Ų7670.4 Ų70.441%0.40635%0.35SS..Hα-helixtrans-66.4-37.3-179.1-77.7-9.9000112.2Y207 A222 L223 K230Y207-D226 WeakPolarHBondContact OH-CB 3.03Å; Y207-D226 PolarHBondContact OH-OD2 3.48Å; A222-D226 PolarHBondContact O-N 3.09Å; A222-D226 VanDerWaalsContact O-N 3.11Å; L223-D226 PolarHBondContact O-N 3.15Å; D226-K230 WeakPolarHBondContact O-CB 3.2Å; D226-K230 PolarHBondContact O-N 2.74Å
227L79Confident77.3Confident3 Ų373.3 Ų73.32%0.01637%0.374CS..Hα-helixtrans-63.7-43.8173-79.6-179000111.9F190 I193 L203 L223 L224 K225 K230 N231 L265F190-L227 HydrophobicContact CE1-CD1 4.1Å; I193-L227 HydrophobicContact CD1-CB 4.41Å; I193-L227 HydrophobicContact CG2-CD2 3.99Å; L203-L227 HydrophobicContact CD1-CD2 4.09Å; L223-L227 HydrophobicContact CD2-CD1 3.48Å; L223-L227 VanDerWaalsContact CD2-CD1 3.48Å; L223-L227 HydrophobicContact CD2-CG 4.2Å; L223-L227 HydrophobicContact CG-CD1 4.44Å; L223-L227 WeakPolarHBondContact O-CB 3.39Å; L223-L227 WeakPolarHBondContact O-CG 3.2Å; L223-L227 PolarHBondContact O-N 2.91Å; L224-L227 PolarHBondContact O-N 3Å; K225-L227 PolarHBondContact O-N 2.86Å; L227-K230 PolarHBondContact O-N 2.82Å; L227-N231 WeakPolarHBondContact O-CB 3.38Å; L227-N231 PolarHBondContact O-N 3.03Å; L227-N231 PolarHBondContact O-OD1 3.48Å; L227-L265 HydrophobicContact CD1-CD1 4.15Å; L227-L265 HydrophobicContact CD1-CD2 3.87Å
228C77Confident76.2Confident12 Ų1272.1 Ų72.18%0.08137%0.374CS..Hα-helixtrans-63.6-45.1178.5-66.40000111.3L224 K225 N231 K232 M233 L235L224-C228 WeakPolarHBondContact O-CB 3.26Å; L224-C228 PolarHBondContact O-N 3.1Å; L224-C228 PolarHBondContact O-SG 3.15Å; K225-C228 PolarHBondContact O-N 3.07Å; C228-N231 PolarHBondContact O-N 2.85Å; C228-K232 PolarHBondContact O-N 2.8Å; C228-M233 PolarHBondContact O-N 2.94Å; C228-L235 HydrophobicContact CB-CD1 4.33Å; C228-L235 WeakPolarHBondContact SG-CD1 3.08Å
229D80.2Confident75.4Confident124 Ų12464.9 Ų64.966%0.66334%0.342SS*.Hα-helixtrans-63.4-44.2178.4-76.2-11.5000111.6K225 K232K225-D229 WeakPolarHBondContact O-CB 3.42Å; K225-D229 PolarHBondContact O-N 3.01Å; D229-K232 PolarHBondContact O-N 2.85Å
230K76.9Confident74.6Confident162 Ų16265.4 Ų65.470%0.70435%0.345SS*.Hα-helixtrans-67.8-36.7-179.3-169.3175.8-178.2-177.90112.4D226 L227D226-K230 WeakPolarHBondContact O-CB 3.2Å; D226-K230 PolarHBondContact O-N 2.74Å; L227-K230 PolarHBondContact O-N 2.82Å
231N70Confident74.1Confident66 Ų6669.9 Ų69.935%0.35337%0.373SS..Hα-helixtrans-92.22.4-178.7-71.663.1000113.2I193 L227 C228 M233I193-N231 HydrophobicContact CD1-CB 4.21Å; I193-N231 HydrophobicContact CG1-CB 4.3Å; I193-N231 WeakPolarHBondContact CG1-ND2 3.49Å; L227-N231 WeakPolarHBondContact O-CB 3.38Å; L227-N231 PolarHBondContact O-N 3.03Å; L227-N231 PolarHBondContact O-OD1 3.48Å; C228-N231 PolarHBondContact O-N 2.85Å; N231-M233 HydrophobicContact CB-CG 3.97Å; N231-M233 PolarHBondContact O-N 3.42Å
232K70.3Confident73.6Confident190 Ų19071.6 Ų71.683%0.82638%0.382SS*.THydrogen-bonded Turntrans48.940.7-176.6-59.2-176.8179.5-179.90112C228 D229 D234C228-K232 PolarHBondContact O-N 2.8Å; D229-K232 PolarHBondContact O-N 2.85Å; K232-D234 PolarHBondContact O-N 3.16Å
233M67.1Low73.1Confident44 Ų4470.8 Ų70.822%0.21737%0.372CS..  trans-71.2121.1177.8-68.3-164.8152.800108.8K189 I193 C228 N231 L235K189-M233 HydrophobicContact CB-CE 4.4Å; K189-M233 WeakPolarHBondContact O-CE 3.38Å; I193-M233 HydrophobicContact CD1-CE 3.38Å; I193-M233 HydrophobicContact CD1-SD 3.69Å; I193-M233 HydrophobicContact CG1-CE 3.42Å; I193-M233 VanDerWaalsContact CG1-CE 3.42Å; I193-M233 HydrophobicContact CG1-SD 4.38Å; C228-M233 PolarHBondContact O-N 2.94Å; N231-M233 HydrophobicContact CB-CG 3.97Å; N231-M233 PolarHBondContact O-N 3.42Å; M233-L235 HydrophobicContact CB-CD1 3.7Å; M233-L235 HydrophobicContact CB-CG 3.89Å; M233-L235 PolarHBondContact O-N 3.01Å; M233-L235 HydrophobicContact SD-CD1 4.05Å
234D59.1Low72.9Confident171 Ų17172.5 Ų72.591%0.91438%0.38SS*.  trans-76.882.9173.8-157.114.3000107.9K232K232-D234 PolarHBondContact O-N 3.16Å
235L60.8Low72.9Confident33 Ų3378.9 Ų78.917%0.17341%0.407CS..  trans-112123.5178.8-67.3166.8000108.2K189 C228 M233 Y243K189-L235 HydrophobicContact CD-CD2 4.2Å; C228-L235 HydrophobicContact CB-CD1 4.33Å; C228-L235 WeakPolarHBondContact SG-CD1 3.08Å; M233-L235 HydrophobicContact CB-CD1 3.7Å; M233-L235 HydrophobicContact CB-CG 3.89Å; M233-L235 PolarHBondContact O-N 3.01Å; M233-L235 HydrophobicContact SD-CD1 4.05Å; L235-Y243 HydrophobicContact CD1-CD2 4.03Å; L235-Y243 HydrophobicContact CD1-CE2 3.55Å; L235-Y243 HydrophobicContact CD2-CD2 4.45Å; L235-Y243 HydrophobicContact CD2-CE2 3.36Å; L235-Y243 VanDerWaalsContact CD2-OH 3.31Å; L235-Y243 WeakPolarHBondContact CD2-OH 3.33Å; L235-Y243 HydrophobicContact CG-CE2 4.08Å
236D61.2Low72.7Confident96 Ų9674.5 Ų74.551%0.51339%0.388SS..  trans-66.8157.7167.969.9-44.1000109.7T238 G239 L240D236-T238 PolarHBondContact O-N 3.21Å; D236-T238 WeakPolarHBondContact OD2-CB 3.33Å; D236-T238 PolarHBondContact OD2-OG1 3.32Å; D236-G239 PolarHBondContact O-N 3.03Å; D236-G239 PolarHBondContact OD1-N 3.46Å; D236-L240 PolarHBondContact O-N 3.33Å
237S61.9Low72.5Confident106 Ų10671 Ų7174%0.74137%0.37SS*.Hα-helixtrans-59.3-20.4-177.947.70000113.5V241S237-V241 WeakPolarHBondContact O-CG2 3.32Å
238T65.2Low72.8Confident79 Ų7972.5 Ų72.549%0.48538%0.377SS..Hα-helixtrans-73.5-46.8173.9-31.60000111.5D236 L240 V241 D242D236-T238 PolarHBondContact O-N 3.21Å; D236-T238 WeakPolarHBondContact OD2-CB 3.33Å; D236-T238 PolarHBondContact OD2-OG1 3.32Å; T238-L240 VanDerWaalsContact C-N 3.29Å; T238-L240 PolarHBondContact O-N 3.37Å; T238-V241 WeakPolarHBondContact O-CB 3.34Å; T238-V241 PolarHBondContact O-N 3.06Å; T238-D242 PolarHBondContact O-N 2.92Å
239G68.9Low73.1Confident8 Ų872.9 Ų72.98%0.08238%0.381CS..Hα-helixtrans-59.5-37-179.700000113.4D236 V241 D242 Y243D236-G239 PolarHBondContact O-N 3.03Å; D236-G239 PolarHBondContact OD1-N 3.46Å; G239-V241 VanDerWaalsContact C-N 3.34Å; G239-V241 PolarHBondContact O-N 2.88Å; G239-D242 PolarHBondContact O-N 3.45Å; G239-Y243 WeakPolarHBondContact O-CB 3.33Å; G239-Y243 WeakPolarHBondContact O-CD1 3.29Å; G239-Y243 PolarHBondContact O-N 3.24Å
240L72.9Confident72.9Confident29 Ų2967.1 Ų67.115%0.15235%0.35CS..Hα-helixtrans-63.9-39.3175.8-172.569.8000112.3L224 K225 D236 T238 Y243 K244L224-L240 HydrophobicContact CB-CD1 3.75Å; K225-L240 HydrophobicContact CG-CD2 3.9Å; D236-L240 PolarHBondContact O-N 3.33Å; T238-L240 VanDerWaalsContact C-N 3.29Å; T238-L240 PolarHBondContact O-N 3.37Å; L240-Y243 PolarHBondContact O-N 3.27Å; L240-K244 WeakPolarHBondContact O-CB 3.35Å; L240-K244 PolarHBondContact O-N 2.97Å
241V77.4Confident73.3Confident94 Ų9459.7 Ų59.757%0.5732%0.319SS*.Hα-helixtrans-67.3-42.2178.2173.70000110.6S237 T238 G239 Y243 K244 K245S237-V241 WeakPolarHBondContact O-CG2 3.32Å; T238-V241 WeakPolarHBondContact O-CB 3.34Å; T238-V241 PolarHBondContact O-N 3.06Å; G239-V241 VanDerWaalsContact C-N 3.34Å; G239-V241 PolarHBondContact O-N 2.88Å; V241-Y243 VanDerWaalsContact C-N 3.34Å; V241-K244 PolarHBondContact O-N 3.46Å; V241-K245 WeakPolarHBondContact O-CB 3.47Å; V241-K245 PolarHBondContact O-N 2.96Å
242D75.9Confident73.8Confident80 Ų8059.5 Ų59.543%0.42832%0.318SS..Hα-helixtrans-65.4-38.8176.7-68.3-31.2000111.2T238 G239 K245 S246T238-D242 PolarHBondContact O-N 2.92Å; G239-D242 PolarHBondContact O-N 3.45Å; D242-K245 WeakPolarHBondContact O-CB 3.29Å; D242-K245 PolarHBondContact O-N 2.81Å; D242-S246 PolarHBondContact O-N 3.24Å; D242-S246 PolarHBondContact O-OG 3.42Å; D242-S246 VanDerWaalsContact O-OG 3.07Å
243Y75.7Confident74.3Confident16 Ų1654.1 Ų54.16%0.06332%0.316CS..Hα-helixtrans-65.8-44.9176.9-65.8-6.4000112.4F186 K189 F190 L235 G239 L240 V241 K245 S246 I247F186-Y243 HydrophobicContact CB-CD1 3.32Å; F186-Y243 HydrophobicContact CB-CE1 3.37Å; F186-Y243 HydrophobicContact CB-CG 4.11Å; F186-Y243 HydrophobicContact CG-CD1 4.3Å; K189-Y243 WeakPolarHBondContact CD-OH 3.17Å; K189-Y243 WeakPolarHBondContact CE-OH 3.26Å; K189-Y243 PolarHBondContact NZ-OH 2.79Å; F190-Y243 AromaticContact CE2-CD2 3.77Å; F190-Y243 HydrophobicContact CE2-CD2 3.77Å; F190-Y243 HydrophobicContact CE2-CE2 4.26Å; F190-Y243 HydrophobicContact CE2-CG 4.29Å; L235-Y243 HydrophobicContact CD1-CD2 4.03Å; L235-Y243 HydrophobicContact CD1-CE2 3.55Å; L235-Y243 HydrophobicContact CD2-CD2 4.45Å; L235-Y243 HydrophobicContact CD2-CE2 3.36Å; L235-Y243 VanDerWaalsContact CD2-OH 3.31Å; L235-Y243 WeakPolarHBondContact CD2-OH 3.33Å; L235-Y243 HydrophobicContact CG-CE2 4.08Å; G239-Y243 WeakPolarHBondContact O-CB 3.33Å; G239-Y243 WeakPolarHBondContact O-CD1 3.29Å; G239-Y243 PolarHBondContact O-N 3.24Å; L240-Y243 PolarHBondContact O-N 3.27Å; V241-Y243 VanDerWaalsContact C-N 3.34Å; Y243-K245 VanDerWaalsContact C-N 3.26Å; Y243-K245 PolarHBondContact O-N 3.46Å; Y243-S246 PolarHBondContact O-N 3.44Å; Y243-I247 WeakPolarHBondContact O-CG1 3.33Å; Y243-I247 PolarHBondContact O-N 2.93Å
244K82.4Confident75.1Confident37 Ų3753.5 Ų53.516%0.16132%0.322CS..Hα-helixtrans-56-46.1173.4-178.2-177.6168.2-173.80110.4E217 L220 L224 L240 V241 S246 I247 M248E217-K244 VanDerWaalsContact CG-NZ 3.27Å; E217-K244 WeakPolarHBondContact O-CE 3.42Å; E217-K244 WeakPolarHBondContact OE1-CE 3.36Å; E217-K244 IonicContact OE1-NZ 2.81Å; E217-K244 PolarHBondContact OE1-NZ 2.9Å; L220-K244 HydrophobicContact CD2-CG 4.01Å; L224-K244 HydrophobicContact CD1-CB 3.9Å; L224-K244 HydrophobicContact CD1-CG 4.47Å; L240-K244 WeakPolarHBondContact O-CB 3.35Å; L240-K244 PolarHBondContact O-N 2.97Å; V241-K244 PolarHBondContact O-N 3.46Å; K244-S246 PolarHBondContact O-N 2.98Å; K244-I247 PolarHBondContact O-N 2.78Å; K244-M248 HydrophobicContact CG-CG 4.39Å; K244-M248 VanDerWaalsContact O-CB 3.24Å; K244-M248 WeakPolarHBondContact O-CB 3.23Å; K244-M248 WeakPolarHBondContact O-CG 3.36Å; K244-M248 PolarHBondContact O-N 3.28Å
245K82.9Confident76.4Confident135 Ų13549 Ų4959%0.58729%0.294SS*.Hα-helixtrans-62.5-42178.9-171-179177.7-171.30112.2A110 V241 D242 Y243 A249A110-K245 HydrophobicContact CB-CG 4.39Å; V241-K245 WeakPolarHBondContact O-CB 3.47Å; V241-K245 PolarHBondContact O-N 2.96Å; D242-K245 WeakPolarHBondContact O-CB 3.29Å; D242-K245 PolarHBondContact O-N 2.81Å; Y243-K245 VanDerWaalsContact C-N 3.26Å; Y243-K245 PolarHBondContact O-N 3.46Å; K245-A249 PolarHBondContact O-N 2.82Å; K245-A249 VanDerWaalsContact O-N 3.09Å
246S77.9Confident77.7Confident3 Ų347.4 Ų47.42%0.02129%0.285CS..Hα-helixtrans-70.4-40.6-179.6-58.80000112.5S109 A110 M113 F186 D242 Y243 K244 A249S109-S246 PolarHBondContact OG-OG 3.02Å; A110-S246 PolarHBondContact N-OG 3.02Å; M113-S246 WeakPolarHBondContact CG-O 3.48Å; F186-S246 VanDerWaalsContact CE1-CB 3.45Å; D242-S246 PolarHBondContact O-N 3.24Å; D242-S246 PolarHBondContact O-OG 3.42Å; D242-S246 VanDerWaalsContact O-OG 3.07Å; Y243-S246 PolarHBondContact O-N 3.44Å; K244-S246 PolarHBondContact O-N 2.98Å; S246-A249 WeakPolarHBondContact O-CB 3.49Å; S246-A249 PolarHBondContact O-N 3.31Å
247I79.9Confident78.9Confident2 Ų246.7 Ų46.71%0.0128%0.276CS..Hα-helixtrans-67.5-42.9174.4-63.5169.1000110.1F186 L220 L224 Y243 K244 A249 L250 L256 M261 V264F186-I247 HydrophobicContact CD2-CG1 4.48Å; F186-I247 HydrophobicContact CE2-CG1 3.85Å; L220-I247 HydrophobicContact CD1-CG2 3.93Å; L220-I247 HydrophobicContact CD2-CB 4.12Å; L220-I247 HydrophobicContact CD2-CG2 3.96Å; L224-I247 HydrophobicContact CD1-CD1 4.27Å; L224-I247 HydrophobicContact CD2-CD1 3.64Å; Y243-I247 WeakPolarHBondContact O-CG1 3.33Å; Y243-I247 PolarHBondContact O-N 2.93Å; K244-I247 PolarHBondContact O-N 2.78Å; I247-A249 PolarHBondContact O-N 2.9Å; I247-A249 VanDerWaalsContact O-N 3.13Å; I247-L250 WeakPolarHBondContact O-CB 3.28Å; I247-L250 PolarHBondContact O-N 3.27Å; I247-L256 HydrophobicContact CG2-CD1 3.75Å; I247-L256 HydrophobicContact CG2-CD2 4.18Å; I247-L256 WeakPolarHBondContact O-CD2 3.48Å; I247-M261 HydrophobicContact CG2-SD 4.29Å; I247-V264 HydrophobicContact CD1-CG1 4.26Å; I247-V264 HydrophobicContact CG1-CG1 4.26Å
248M84.6Confident79.8Confident35 Ų3546.5 Ų46.517%0.17226%0.259CS..Hα-helixtrans-62.9-18.8175.9-73.3-61.5-64.600113.8E217 L220 K244 L250 A251 L256E217-M248 HydrophobicContact CB-CE 3.93Å; E217-M248 HydrophobicContact CB-SD 4.32Å; E217-M248 HydrophobicContact CG-CE 4.35Å; L220-M248 HydrophobicContact CD2-CG 3.6Å; L220-M248 HydrophobicContact CD2-SD 3.68Å; K244-M248 HydrophobicContact CG-CG 4.39Å; K244-M248 VanDerWaalsContact O-CB 3.24Å; K244-M248 WeakPolarHBondContact O-CB 3.23Å; K244-M248 WeakPolarHBondContact O-CG 3.36Å; K244-M248 PolarHBondContact O-N 3.28Å; M248-L250 VanDerWaalsContact C-N 3.25Å; M248-L250 PolarHBondContact O-N 2.97Å; M248-A251 HydrophobicContact CE-CB 4.05Å; M248-A251 WeakPolarHBondContact O-CB 3.45Å; M248-A251 PolarHBondContact O-N 3.37Å; M248-A251 HydrophobicContact SD-CB 4.29Å; M248-L256 HydrophobicContact SD-CD1 3.69Å; M248-L256 HydrophobicContact SD-CG 4.28Å
249A83Confident80.5Confident20 Ų2045.7 Ų45.717%0.16525%0.254CS..THydrogen-bonded Turntrans-70.3-21.617200000112.8A110 M113 K245 S246 I247 A251A110-A249 HydrophobicContact CB-CB 4.21Å; A110-A249 WeakPolarHBondContact O-CB 3.3Å; M113-A249 HydrophobicContact CB-CB 3.88Å; K245-A249 PolarHBondContact O-N 2.82Å; K245-A249 VanDerWaalsContact O-N 3.09Å; S246-A249 WeakPolarHBondContact O-CB 3.49Å; S246-A249 PolarHBondContact O-N 3.31Å; I247-A249 PolarHBondContact O-N 2.9Å; I247-A249 VanDerWaalsContact O-N 3.13Å; A249-A251 VanDerWaalsContact C-N 3.27Å
250L77.6Confident81Confident4 Ų445.7 Ų45.72%0.02125%0.252CS..THydrogen-bonded Turntrans-74.1-18.5165.8-72.8177.8000113.1M113 R117 I247 M248 L256 E260 V264M113-L250 HydrophobicContact CB-CD2 4.26Å; M113-L250 HydrophobicContact CB-CG 4.21Å; M113-L250 HydrophobicContact CE-CD1 3.19Å; M113-L250 HydrophobicContact CE-CD2 3.47Å; M113-L250 VanDerWaalsContact CE-CD2 3.47Å; M113-L250 HydrophobicContact CE-CG 3.23Å; R117-L250 HydrophobicContact CB-CD2 4.32Å; R117-L250 VanDerWaalsContact CD-O 3.28Å; R117-L250 WeakPolarHBondContact CD-O 3.37Å; R117-L250 PolarHBondContact NE-O 2.67Å; I247-L250 WeakPolarHBondContact O-CB 3.28Å; I247-L250 PolarHBondContact O-N 3.27Å; M248-L250 VanDerWaalsContact C-N 3.25Å; M248-L250 PolarHBondContact O-N 2.97Å; L250-L256 HydrophobicContact CB-CD2 4.06Å; L250-E260 HydrophobicContact CB-CB 4.16Å; L250-E260 HydrophobicContact CB-CG 4.34Å; L250-E260 HydrophobicContact CD1-CB 4.38Å; L250-V264 HydrophobicContact CD1-CG2 3.51Å
251A83.9Confident81.3Confident6 Ų644.4 Ų44.45%0.0525%0.245CC..SBendtrans-69.5137.3-170.900000112R117 M248 A249 G253 K255 L256R117-A251 PolarHBondContact NH1-O 3.06Å; M248-A251 HydrophobicContact CE-CB 4.05Å; M248-A251 WeakPolarHBondContact O-CB 3.45Å; M248-A251 PolarHBondContact O-N 3.37Å; M248-A251 HydrophobicContact SD-CB 4.29Å; A249-A251 VanDerWaalsContact C-N 3.27Å; A251-G253 PolarHBondContact O-N 3.41Å; A251-K255 CarbonylContact C-O 3.56Å; A251-K255 WeakPolarHBondContact CA-O 3.46Å; A251-L256 HydrophobicContact CB-CD2 3.7Å; A251-L256 HydrophobicContact CB-CG 3.71Å
252D81.5Confident81.4Confident62 Ų6242.6 Ų42.633%0.33223%0.231SC..BIsolated β-bridgetrans-82.894.4173.9-159.9-2.5000111.1R117 R123 G254 K255 Y257R117-D252 IonicContact CZ-OD1 3.19Å; R117-D252 VanDerWaalsContact NH2-CA 3.31Å; R117-D252 IonicContact NH2-OD1 2.76Å; R117-D252 PolarHBondContact NH2-OD1 2.91Å; R117-D252 IonicContact NH2-OD2 3.23Å; R117-D252 PolarHBondContact NH2-OD2 3.47Å; R123-D252 IonicContact CZ-OD2 3.18Å; R123-D252 IonicContact NH1-OD2 3.45Å; R123-D252 IonicContact NH2-OD2 2.6Å; R123-D252 PolarHBondContact NH2-OD2 2.89Å; D252-G254 VanDerWaalsContact C-N 3.27Å; D252-G254 PolarHBondContact O-N 2.9Å; D252-K255 PolarHBondContact N-O 3.47Å; D252-K255 WeakPolarHBondContact O-CB 3.47Å; D252-K255 PolarHBondContact O-N 3.04Å; D252-Y257 HydrophobicContact CB-CE2 4.08Å
253G81.1Confident81.3Confident76 Ų7640.6 Ų40.678%0.78422%0.22SC*.THydrogen-bonded Turntrans64.633.4-177.100000112.8A251A251-G253 PolarHBondContact O-N 3.41Å
254G82.8Confident81.2Confident32 Ų3240.5 Ų40.533%0.3322%0.22SC..THydrogen-bonded Turntrans86.610.7-177.700000114.8D252D252-G254 VanDerWaalsContact C-N 3.27Å; D252-G254 PolarHBondContact O-N 2.9Å
255K87.4Confident80.7Confident75 Ų7538.9 Ų38.933%0.32621%0.214SC..BIsolated β-bridgetrans-112.1118.1177.6-56.5-176176.6-167.10110.6Y214 A251 D252 Y257Y214-K255 HydrophobicContact CD1-CB 4.39Å; Y214-K255 HydrophobicContact CD1-CD 3.91Å; Y214-K255 HydrophobicContact CD1-CG 4.37Å; Y214-K255 HydrophobicContact CD2-CB 3.71Å; Y214-K255 HydrophobicContact CD2-CD 4.07Å; Y214-K255 HydrophobicContact CD2-CG 3.67Å; Y214-K255 HydrophobicContact CE1-CD 3.75Å; Y214-K255 HydrophobicContact CE1-CG 4.4Å; Y214-K255 HydrophobicContact CE2-CB 4.29Å; Y214-K255 HydrophobicContact CE2-CD 3.94Å; Y214-K255 HydrophobicContact CE2-CG 3.72Å; Y214-K255 HydrophobicContact CG-CB 3.78Å; Y214-K255 HydrophobicContact CG-CD 4.07Å; Y214-K255 HydrophobicContact CG-CG 4.02Å; A251-K255 CarbonylContact C-O 3.56Å; A251-K255 WeakPolarHBondContact CA-O 3.46Å; D252-K255 PolarHBondContact N-O 3.47Å; D252-K255 WeakPolarHBondContact O-CB 3.47Å; D252-K255 PolarHBondContact O-N 3.04Å; K255-Y257 HydrophobicContact CB-CE2 3.97Å
256L86.8Confident79.8Confident0 Ų033.6 Ų33.60%019%0.194CC..EExtended strand (participates in β ladder)trans-95.6103.2174.6-71.3162.7000109.2Y214 I215 L220 I247 M248 L250 A251 E260 M261Y214-L256 CarbonylContact C-O 3.59Å; Y214-L256 VanDerWaalsContact CA-O 3.3Å; Y214-L256 WeakPolarHBondContact CA-O 3.36Å; I215-L256 HydrophobicContact CB-CB 4.18Å; I215-L256 PolarHBondContact N-O 3.3Å; I215-L256 WeakPolarHBondContact O-CB 3.38Å; I215-L256 PolarHBondContact O-N 2.72Å; L220-L256 HydrophobicContact CB-CD1 4.45Å; L220-L256 HydrophobicContact CD1-CD1 4.09Å; L220-L256 HydrophobicContact CD2-CD1 3.71Å; L220-L256 HydrophobicContact CG-CD1 4.29Å; I247-L256 HydrophobicContact CG2-CD1 3.75Å; I247-L256 HydrophobicContact CG2-CD2 4.18Å; I247-L256 WeakPolarHBondContact O-CD2 3.48Å; M248-L256 HydrophobicContact SD-CD1 3.69Å; M248-L256 HydrophobicContact SD-CG 4.28Å; L250-L256 HydrophobicContact CB-CD2 4.06Å; A251-L256 HydrophobicContact CB-CD2 3.7Å; A251-L256 HydrophobicContact CB-CG 3.71Å; L256-E260 HydrophobicContact CD2-CB 4.3Å; L256-M261 HydrophobicContact CB-CG 4Å; L256-M261 HydrophobicContact CB-SD 4.38Å; L256-M261 HydrophobicContact CD1-SD 4.2Å
257Y86.4Confident78.8Confident82 Ų8240 Ų4032%0.32222%0.217SC..EExtended strand (participates in β ladder)trans-75.5167.1174.3-60.3-87.4000110.2Y214 D252 K255 T259 E260 M261Y214-Y257 HydrophobicContact CD1-CE1 4.17Å; D252-Y257 HydrophobicContact CB-CE2 4.08Å; K255-Y257 HydrophobicContact CB-CE2 3.97Å; Y257-T259 PolarHBondContact O-N 2.71Å; Y257-E260 VanDerWaalsContact CA-OE2 3.26Å; Y257-E260 WeakPolarHBondContact CA-OE2 3.41Å; Y257-E260 WeakPolarHBondContact CB-OE2 3.36Å; Y257-E260 PolarHBondContact N-OE2 3.48Å; Y257-E260 PolarHBondContact O-N 2.69Å; Y257-E260 VanDerWaalsContact O-N 3.13Å; Y257-M261 PolarHBondContact O-N 3.05Å; Y257-M261 VanDerWaalsContact O-N 3.15Å
258R82.1Confident77.4Confident101 Ų10142.3 Ų42.338%0.38123%0.23SC..Hα-helixtrans-50.5-43.8179.5-172.3179.9162.3145.5-1.9112.7F200 D201 F204 E260 M261 E262F200-R258 HydrophobicContact CE1-CG 3.91Å; D201-R258 VanDerWaalsContact CG-NH2 3.26Å; D201-R258 IonicContact OD1-CZ 2.75Å; D201-R258 IonicContact OD1-NE 3.66Å; D201-R258 IonicContact OD1-NH1 3.91Å; D201-R258 PolarHBondContact OD1-NH1 3.29Å; D201-R258 IonicContact OD1-NH2 2.79Å; D201-R258 PolarHBondContact OD1-NH2 2.82Å; D201-R258 IonicContact OD2-CZ 3Å; D201-R258 IonicContact OD2-NH1 2.67Å; D201-R258 PolarHBondContact OD2-NH1 3.4Å; D201-R258 IonicContact OD2-NH2 3.75Å; D201-R258 PolarHBondContact OD2-NH2 2.81Å; F204-R258 HydrophobicContact CE2-CB 4.19Å; F204-R258 HydrophobicContact CZ-CB 4.11Å; R258-E260 PolarHBondContact O-N 2.87Å; R258-M261 PolarHBondContact O-N 2.99Å; R258-E262 HydrophobicContact CG-CG 4.3Å; R258-E262 IonicContact CZ-OE1 2.93Å; R258-E262 IonicContact NE-OE1 3.91Å; R258-E262 PolarHBondContact NE-OE1 3.43Å; R258-E262 IonicContact NH2-OE1 3.38Å; R258-E262 PolarHBondContact NH2-OE1 3.14Å; R258-E262 WeakPolarHBondContact O-CB 3.45Å; R258-E262 WeakPolarHBondContact O-CG 3.49Å; R258-E262 PolarHBondContact O-N 3.02Å
259T79.3Confident75Confident63 Ų6345.3 Ų45.339%0.38725%0.254SS..Hα-helixtrans-58.5-47.7179.2430000111.9Y257 M261 E262 I263Y257-T259 PolarHBondContact O-N 2.71Å; T259-M261 VanDerWaalsContact C-N 3.33Å; T259-M261 PolarHBondContact O-N 3.04Å; T259-E262 PolarHBondContact O-N 3.04Å; T259-I263 VanDerWaalsContact O-CG1 3.24Å; T259-I263 WeakPolarHBondContact O-CG1 3.47Å; T259-I263 PolarHBondContact O-N 3.23Å
260E79.8Confident72.6Confident8 Ų849 Ų494%0.03727%0.274CS..Hα-helixtrans-67.9-35.6-179.3-64.294.8-16000112.3R123 L250 L256 Y257 R258 I263R123-E260 IonicContact CZ-OE1 3.7Å; R123-E260 IonicContact NH1-OE1 2.74Å; R123-E260 PolarHBondContact NH1-OE1 3.42Å; L250-E260 HydrophobicContact CB-CB 4.16Å; L250-E260 HydrophobicContact CB-CG 4.34Å; L250-E260 HydrophobicContact CD1-CB 4.38Å; L256-E260 HydrophobicContact CD2-CB 4.3Å; Y257-E260 VanDerWaalsContact CA-OE2 3.26Å; Y257-E260 WeakPolarHBondContact CA-OE2 3.41Å; Y257-E260 WeakPolarHBondContact CB-OE2 3.36Å; Y257-E260 PolarHBondContact N-OE2 3.48Å; Y257-E260 PolarHBondContact O-N 2.69Å; Y257-E260 VanDerWaalsContact O-N 3.13Å; R258-E260 PolarHBondContact O-N 2.87Å; E260-I263 PolarHBondContact O-N 3.31Å
261M79.7Confident70.3Confident2 Ų258 Ų581%0.0132%0.322CS..Hα-helixtrans-72-35.3177-75.6-69.5-71.800112.8F200 F204 L220 L223 I247 L256 Y257 R258 T259 I263 V264 L265F200-M261 HydrophobicContact CE2-CB 3.74Å; F200-M261 WeakPolarHBondContact CE2-O 3.17Å; F200-M261 HydrophobicContact CZ-CB 3.51Å; F204-M261 HydrophobicContact CD2-CB 4.13Å; F204-M261 HydrophobicContact CD2-CG 4.34Å; F204-M261 HydrophobicContact CE2-CB 4.08Å; F204-M261 HydrophobicContact CE2-CG 4Å; L220-M261 HydrophobicContact CD1-CE 4.42Å; L220-M261 HydrophobicContact CD1-SD 4.29Å; L223-M261 HydrophobicContact CD1-CE 3.44Å; L223-M261 VanDerWaalsContact CD1-CE 3.44Å; L223-M261 HydrophobicContact CD2-CE 4.05Å; L223-M261 HydrophobicContact CG-CE 4.44Å; I247-M261 HydrophobicContact CG2-SD 4.29Å; L256-M261 HydrophobicContact CB-CG 4Å; L256-M261 HydrophobicContact CB-SD 4.38Å; L256-M261 HydrophobicContact CD1-SD 4.2Å; Y257-M261 PolarHBondContact O-N 3.05Å; Y257-M261 VanDerWaalsContact O-N 3.15Å; R258-M261 PolarHBondContact O-N 2.99Å; T259-M261 VanDerWaalsContact C-N 3.33Å; T259-M261 PolarHBondContact O-N 3.04Å; M261-I263 VanDerWaalsContact C-N 3.31Å; M261-V264 PolarHBondContact O-N 3.32Å; M261-L265 HydrophobicContact CE-CD1 3.64Å; M261-L265 PolarHBondContact O-N 3.06Å
262E77.9Confident69.6Low56 Ų5660.6 Ų60.626%0.26234%0.335SS..Hα-helixtrans-62.4-40.1173.9-77.7178169.800110.7F200 R258 T259 V264 L265 C266F200-E262 HydrophobicContact CD1-CG 3.69Å; F200-E262 HydrophobicContact CE1-CB 4.4Å; F200-E262 HydrophobicContact CE1-CG 3.21Å; F200-E262 HydrophobicContact CE2-CG 4.3Å; F200-E262 HydrophobicContact CG-CG 4.42Å; F200-E262 HydrophobicContact CZ-CB 4.32Å; F200-E262 HydrophobicContact CZ-CG 3.55Å; R258-E262 HydrophobicContact CG-CG 4.3Å; R258-E262 IonicContact CZ-OE1 2.93Å; R258-E262 IonicContact NE-OE1 3.91Å; R258-E262 PolarHBondContact NE-OE1 3.43Å; R258-E262 IonicContact NH2-OE1 3.38Å; R258-E262 PolarHBondContact NH2-OE1 3.14Å; R258-E262 WeakPolarHBondContact O-CB 3.45Å; R258-E262 WeakPolarHBondContact O-CG 3.49Å; R258-E262 PolarHBondContact O-N 3.02Å; T259-E262 PolarHBondContact O-N 3.04Å; E262-V264 PolarHBondContact O-N 3.48Å; E262-L265 PolarHBondContact O-N 3.12Å; E262-C266 HydrophobicContact CB-CB 4.38Å; E262-C266 WeakPolarHBondContact O-CA 3.27Å; E262-C266 VanDerWaalsContact O-CB 3.24Å; E262-C266 WeakPolarHBondContact O-CB 3.42Å; E262-C266 PolarHBondContact O-N 3.41Å
263I75Confident69Low38 Ų3860.5 Ų60.520%0.19534%0.335CS..Hα-helixtrans-59.8-36.3178.5-62.1164.2000111.5L173 T259 E260 M261L173-I263 HydrophobicContact CB-CG2 3.65Å; L173-I263 HydrophobicContact CD1-CG2 4.4Å; L173-I263 HydrophobicContact CD2-CG2 3.65Å; L173-I263 HydrophobicContact CG-CG2 4.07Å; T259-I263 VanDerWaalsContact O-CG1 3.24Å; T259-I263 WeakPolarHBondContact O-CG1 3.47Å; T259-I263 PolarHBondContact O-N 3.23Å; E260-I263 PolarHBondContact O-N 3.31Å; M261-I263 VanDerWaalsContact C-N 3.31Å
264V72.8Confident68.3Low13 Ų1359.6 Ų59.68%0.07931%0.31CS..Hα-helixtrans-85.4-35.8-176.4-178.70000112.6L173 F186 I247 L250 M261 E262L173-V264 HydrophobicContact CD2-CG2 4.23Å; F186-V264 HydrophobicContact CE2-CG1 4.32Å; I247-V264 HydrophobicContact CD1-CG1 4.26Å; I247-V264 HydrophobicContact CG1-CG1 4.26Å; L250-V264 HydrophobicContact CD1-CG2 3.51Å; M261-V264 PolarHBondContact O-N 3.32Å; E262-V264 PolarHBondContact O-N 3.48Å
265L73.5Confident67.5Low4 Ų461.2 Ų61.22%0.02131%0.309CS..Hα-helixtrans-114.7-19.3-166.7-62.3179.1000115.3F190 L195 F200 L203 L223 L227 M261 E262F190-L265 HydrophobicContact CD1-CD2 3.58Å; F190-L265 HydrophobicContact CE1-CD2 3.88Å; L195-L265 HydrophobicContact CD1-CB 4.47Å; L195-L265 PolarHBondContact N-O 3.24Å; F200-L265 HydrophobicContact CD2-CB 3.96Å; F200-L265 HydrophobicContact CD2-CD1 4.41Å; F200-L265 HydrophobicContact CE2-CB 4.11Å; F200-L265 HydrophobicContact CE2-CD1 4.19Å; L203-L265 HydrophobicContact CD2-CD1 4.35Å; L223-L265 HydrophobicContact CD2-CD1 4.13Å; L227-L265 HydrophobicContact CD1-CD1 4.15Å; L227-L265 HydrophobicContact CD1-CD2 3.87Å; M261-L265 HydrophobicContact CE-CD1 3.64Å; M261-L265 PolarHBondContact O-N 3.06Å; E262-L265 PolarHBondContact O-N 3.12Å
266C63.7Low66.2Low24 Ų2460.4 Ų60.416%0.16231%0.308CS..BIsolated β-bridgetrans-94.5149.3178.2-76.80000111.3F200 E262F200-C266 WeakPolarHBondContact CB-SG 3.33Å; F200-C266 WeakPolarHBondContact CG-SG 3.39Å; E262-C266 HydrophobicContact CB-CB 4.38Å; E262-C266 WeakPolarHBondContact O-CA 3.27Å; E262-C266 VanDerWaalsContact O-CB 3.24Å; E262-C266 WeakPolarHBondContact O-CB 3.42Å; E262-C266 PolarHBondContact O-N 3.41Å
267R56Low64.9Low136 Ų13664.4 Ų64.451%0.51333%0.329SS..  trans-67.6146.5164.9-157.8-178.9-168.1-176.53109.2S269R267-S269 PolarHBondContact O-N 2.83Å; R267-S269 VanDerWaalsContact O-N 3.09Å
268D50.3Low63.3Low52 Ų5263.1 Ų63.128%0.27833%0.329SS..  trans-34.3119.7158.7-74.4-59.3000109.6Y126 T270Y126-D268 WeakPolarHBondContact CE1-OD1 3.35Å; Y126-D268 VanDerWaalsContact CZ-OD1 3.29Å; Y126-D268 PolarHBondContact OH-OD1 2.91Å; D268-T270 PolarHBondContact O-N 3Å
269S35.1Very low61.9Low98 Ų9860.2 Ų60.269%0.68533%0.325SS*.SBendtrans-71.820.8-178.2-62.40000112.6R267R267-S269 PolarHBondContact O-N 2.83Å; R267-S269 VanDerWaalsContact O-N 3.09Å
270T32.6Very low60.4Low96 Ų9660 Ų6059%0.58932%0.32SS*.  trans-133.571.1-179.854.70000110.2D268D268-T270 PolarHBondContact O-N 3Å
271L28.9Very low58.7Low193 Ų19364.7 Ų64.7100%1.0135%0.346SS*.  trans-127.60145.6-94.6164.3000108.7

Retrieved 271 of 271 residues in 709.2 ms (Link to these results)

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