A0A147B540_FUNHE Loading...

F-box/LRR-repeat protein 14

AlphaFold DB , UniProt , Accession A0A147B540, Species FUNHE (Fundulus heteroclitus, Killifish), Gene n/a, Length 400 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
1M52.9Low76.9Confident238 Ų238118.5 Ų118.5100%1.17263%0.626SS**  0107.30-89.1-175.6-10300106.8T3M1-T3 PolarHBondContact O-N 3.29Å
2E55Low78.3Confident178 Ų178114.5 Ų114.583%0.83260%0.604SS**  trans-70.2117174.3-76.4-179156.500108.6H4E2-H4 PolarHBondContact O-N 2.9Å
3T69.9Low79.4Confident149 Ų149106 Ų10691%0.91456%0.559SS**  trans-74.175.5170.647.40000108.5M1M1-T3 PolarHBondContact O-N 3.29Å
4H79.4Confident80.4Confident106 Ų10698.6 Ų98.649%0.49152%0.52SS..  trans-107.9136.2178.8-164.1-97.8000110.5E2 S6 C7E2-H4 PolarHBondContact O-N 2.9Å; H4-S6 WeakPolarHBondContact ND1-CB 3.32Å; H4-S6 PolarHBondContact ND1-N 2.96Å; H4-S6 PolarHBondContact ND1-OG 3.25Å; H4-S6 PolarHBondContact O-N 3.06Å; H4-C7 WeakPolarHBondContact O-CB 3.42Å; H4-C7 PolarHBondContact O-N 2.77Å
5I80.2Confident81.4Confident60 Ų60100 Ų10031%0.30853%0.525SS..G310 helixtrans-59.6-22.5-175.9-168.1176.8000113.1C7 L8 L13 W35I5-C7 PolarHBondContact O-N 3.44Å; I5-L8 HydrophobicContact CG1-CD1 3.76Å; I5-L8 WeakPolarHBondContact O-CB 3.4Å; I5-L8 WeakPolarHBondContact O-CG 3.43Å; I5-L8 PolarHBondContact O-N 3.37Å; I5-L13 HydrophobicContact CD1-CD2 4.23Å; I5-L13 HydrophobicContact CG1-CD2 3.78Å; I5-W35 HydrophobicContact CD1-CH2 4.46Å; I5-W35 HydrophobicContact CD1-CZ2 4.2Å; I5-W35 HydrophobicContact CG2-CH2 4.37Å; I5-W35 HydrophobicContact CG2-CZ2 3.49Å; I5-W35 VanDerWaalsContact CG2-CZ2 3.49Å
6S75.6Confident82.2Confident68 Ų6898 Ų9848%0.47651%0.514SS..G310 helixtrans-67.6-14.2174.563.80000114.1H4 L8H4-S6 WeakPolarHBondContact ND1-CB 3.32Å; H4-S6 PolarHBondContact ND1-N 2.96Å; H4-S6 PolarHBondContact ND1-OG 3.25Å; H4-S6 PolarHBondContact O-N 3.06Å; S6-L8 VanDerWaalsContact C-N 3.28Å
7C81Confident83Confident99 Ų9992.5 Ų92.567%0.66949%0.485SS*.G310 helixtrans-82.9-7.2175.5-58.70000112.6H4 I5H4-C7 WeakPolarHBondContact O-CB 3.42Å; H4-C7 PolarHBondContact O-N 2.77Å; I5-C7 PolarHBondContact O-N 3.44Å
8L85.6Confident83.6Confident64 Ų6489.7 Ų89.734%0.33547%0.474SS..SBendtrans-75.4146.2176.8-61.1179.8000111.1I5 S6 I12 L13 I16I5-L8 HydrophobicContact CG1-CD1 3.76Å; I5-L8 WeakPolarHBondContact O-CB 3.4Å; I5-L8 WeakPolarHBondContact O-CG 3.43Å; I5-L8 PolarHBondContact O-N 3.37Å; S6-L8 VanDerWaalsContact C-N 3.28Å; L8-I12 HydrophobicContact CB-CB 4.39Å; L8-I12 HydrophobicContact CB-CG2 4.43Å; L8-I12 HydrophobicContact CD1-CG2 4.02Å; L8-I12 HydrophobicContact CD2-CG2 4.48Å; L8-L13 HydrophobicContact CB-CD2 4.17Å; L8-L13 HydrophobicContact CB-CG 4.15Å; L8-L13 HydrophobicContact CD1-CD2 4.26Å; L8-I16 HydrophobicContact CD1-CD1 3.66Å
9F88.3Confident84.1Confident144 Ų14495.6 Ų95.663%0.63249%0.491SS*.  trans-61146.3171.8-68.2-74.6000111.5E11 I12 L13F9-E11 WeakPolarHBondContact CB-OE2 3.48Å; F9-E11 PolarHBondContact O-N 2.89Å; F9-E11 VanDerWaalsContact O-N 3.1Å; F9-I12 HydrophobicContact CB-CG1 4.45Å; F9-I12 HydrophobicContact CD2-CD1 4.39Å; F9-I12 PolarHBondContact O-N 3.19Å; F9-L13 PolarHBondContact O-N 3.25Å; F9-L13 VanDerWaalsContact O-N 3.09Å
10P87.1Confident84.6Confident74 Ų7493.5 Ų93.548%0.48148%0.481SS..Hα-helixtrans-52.8-32.5-179.9-27.735.6000114.4L13 A14 A38P10-L13 PolarHBondContact O-N 3.15Å; P10-A14 WeakPolarHBondContact O-CB 3.41Å; P10-A14 PolarHBondContact O-N 3.45Å; P10-A38 HydrophobicContact CB-CB 4.48Å
11E90.8Very high85Confident123 Ų12392.7 Ų92.758%0.57548%0.477SS*.Hα-helixtrans-66.1-41.6177.9-62.576.2-169.700111.6F9 A14 M15F9-E11 WeakPolarHBondContact CB-OE2 3.48Å; F9-E11 PolarHBondContact O-N 2.89Å; F9-E11 VanDerWaalsContact O-N 3.1Å; E11-A14 PolarHBondContact O-N 3.46Å; E11-M15 WeakPolarHBondContact O-CG 3.43Å; E11-M15 PolarHBondContact O-N 2.8Å
12I93.3Very high86.7Confident71 Ų7185.2 Ų85.236%0.36445%0.445SS..Hα-helixtrans-68.6-41.7176.7-58.5179.4000109.5L8 F9 A14 M15 I16L8-I12 HydrophobicContact CB-CB 4.39Å; L8-I12 HydrophobicContact CB-CG2 4.43Å; L8-I12 HydrophobicContact CD1-CG2 4.02Å; L8-I12 HydrophobicContact CD2-CG2 4.48Å; F9-I12 HydrophobicContact CB-CG1 4.45Å; F9-I12 HydrophobicContact CD2-CD1 4.39Å; F9-I12 PolarHBondContact O-N 3.19Å; I12-A14 VanDerWaalsContact C-N 3.33Å; I12-A14 PolarHBondContact O-N 3.37Å; I12-M15 WeakPolarHBondContact O-CB 3.47Å; I12-M15 PolarHBondContact O-N 2.92Å; I12-I16 HydrophobicContact CG2-CD1 4.07Å; I12-I16 WeakPolarHBondContact O-CG1 3.5Å; I12-I16 PolarHBondContact O-N 3.32Å
13L93.3Very high88.4Confident4 Ų484.1 Ų84.12%0.02143%0.433CS..Hα-helixtrans-59.2-44.4173.6-69.4175.7000111.4I5 L8 F9 P10 M15 I16 F17 A38I5-L13 HydrophobicContact CD1-CD2 4.23Å; I5-L13 HydrophobicContact CG1-CD2 3.78Å; L8-L13 HydrophobicContact CB-CD2 4.17Å; L8-L13 HydrophobicContact CB-CG 4.15Å; L8-L13 HydrophobicContact CD1-CD2 4.26Å; F9-L13 PolarHBondContact O-N 3.25Å; F9-L13 VanDerWaalsContact O-N 3.09Å; P10-L13 PolarHBondContact O-N 3.15Å; L13-M15 VanDerWaalsContact C-N 3.33Å; L13-M15 PolarHBondContact O-N 2.93Å; L13-I16 PolarHBondContact O-N 3.18Å; L13-F17 HydrophobicContact CB-CE2 4.1Å; L13-F17 HydrophobicContact CB-CZ 4.23Å; L13-F17 HydrophobicContact CD2-CZ 4.24Å; L13-F17 WeakPolarHBondContact O-CB 3.42Å; L13-F17 WeakPolarHBondContact O-CD1 3.31Å; L13-F17 WeakPolarHBondContact O-CD2 3.17Å; L13-F17 WeakPolarHBondContact O-CG 3.38Å; L13-F17 PolarHBondContact O-N 3Å; L13-A38 HydrophobicContact CB-CB 3.69Å; L13-A38 HydrophobicContact CD1-CB 4.28Å
14A93.9Very high89.5Confident2 Ų279.1 Ų79.12%0.01740%0.401CS..Hα-helixtrans-62.7-38.117600000112.4P10 E11 I12 S18 H41 V44P10-A14 WeakPolarHBondContact O-CB 3.41Å; P10-A14 PolarHBondContact O-N 3.45Å; E11-A14 PolarHBondContact O-N 3.46Å; I12-A14 VanDerWaalsContact C-N 3.33Å; I12-A14 PolarHBondContact O-N 3.37Å; A14-S18 PolarHBondContact O-N 3.05Å; A14-H41 HydrophobicContact CB-CB 3.88Å; A14-V44 HydrophobicContact CB-CG2 3.9Å; A14-V44 WeakPolarHBondContact O-CG2 3.37Å
15M94.1Very high90.2Very high120 Ų12074.7 Ų74.759%0.59138%0.38SS*.Hα-helixtrans-62.2-47.2172.8-72.617664.400111.4E11 I12 L13 S18 Y19E11-M15 WeakPolarHBondContact O-CG 3.43Å; E11-M15 PolarHBondContact O-N 2.8Å; I12-M15 WeakPolarHBondContact O-CB 3.47Å; I12-M15 PolarHBondContact O-N 2.92Å; L13-M15 VanDerWaalsContact C-N 3.33Å; L13-M15 PolarHBondContact O-N 2.93Å; M15-S18 WeakPolarHBondContact O-CB 3.38Å; M15-S18 PolarHBondContact O-N 3.24Å; M15-S18 PolarHBondContact O-OG 2.8Å; M15-Y19 WeakPolarHBondContact O-CD2 3.22Å
16I94.7Very high90.6Very high68 Ų6873.2 Ų73.235%0.34938%0.38SS..Hα-helixtrans-60-49.6177.1-66.6165.4000110.1L8 I12 L13 S18 Y19L8-I16 HydrophobicContact CD1-CD1 3.66Å; I12-I16 HydrophobicContact CG2-CD1 4.07Å; I12-I16 WeakPolarHBondContact O-CG1 3.5Å; I12-I16 PolarHBondContact O-N 3.32Å; L13-I16 PolarHBondContact O-N 3.18Å; I16-S18 PolarHBondContact O-N 2.94Å; I16-Y19 PolarHBondContact O-N 3.22Å
17F95.4Very high91.5Very high4 Ų476.1 Ų76.12%0.01838%0.38CS..Hα-helixtrans-64.7-23.7-178.6-61.4-17.9000113.1L13 Y19 L20 K25 V28 W35 A38 V44L13-F17 HydrophobicContact CB-CE2 4.1Å; L13-F17 HydrophobicContact CB-CZ 4.23Å; L13-F17 HydrophobicContact CD2-CZ 4.24Å; L13-F17 WeakPolarHBondContact O-CB 3.42Å; L13-F17 WeakPolarHBondContact O-CD1 3.31Å; L13-F17 WeakPolarHBondContact O-CD2 3.17Å; L13-F17 WeakPolarHBondContact O-CG 3.38Å; L13-F17 PolarHBondContact O-N 3Å; F17-Y19 PolarHBondContact O-N 3.31Å; F17-L20 HydrophobicContact CB-CD1 4.28Å; F17-L20 HydrophobicContact CD1-CD1 3.84Å; F17-L20 HydrophobicContact CG-CD1 4.37Å; F17-L20 WeakPolarHBondContact O-CB 3.44Å; F17-L20 PolarHBondContact O-N 3.46Å; F17-L20 VanDerWaalsContact O-N 3.13Å; F17-K25 WeakPolarHBondContact O-CE 3.35Å; F17-V28 HydrophobicContact CD1-CB 4.36Å; F17-V28 HydrophobicContact CD1-CG1 4.04Å; F17-V28 HydrophobicContact CD1-CG2 4.34Å; F17-V28 HydrophobicContact CD2-CG2 4.08Å; F17-V28 HydrophobicContact CE1-CB 4.14Å; F17-V28 HydrophobicContact CE1-CG1 3.9Å; F17-V28 HydrophobicContact CE2-CB 4.29Å; F17-V28 HydrophobicContact CE2-CG2 4.28Å; F17-V28 HydrophobicContact CG-CG2 4.11Å; F17-V28 HydrophobicContact CZ-CB 4.11Å; F17-V28 HydrophobicContact CZ-CG1 4.36Å; F17-W35 HydrophobicContact CE1-CD2 4.35Å; F17-W35 HydrophobicContact CE1-CE3 4.03Å; F17-W35 HydrophobicContact CE1-CZ3 4.22Å; F17-W35 HydrophobicContact CE2-CB 4.27Å; F17-W35 HydrophobicContact CE2-CG 4.43Å; F17-W35 HydrophobicContact CZ-CB 4.16Å; F17-W35 AromaticContact CZ-CD2 3.64Å; F17-W35 HydrophobicContact CZ-CD2 3.64Å; F17-W35 AromaticContact CZ-CE3 3.65Å; F17-W35 HydrophobicContact CZ-CE3 3.65Å; F17-W35 AromaticContact CZ-CG 3.88Å; F17-W35 HydrophobicContact CZ-CG 3.88Å; F17-W35 HydrophobicContact CZ-CZ3 4.29Å; F17-A38 HydrophobicContact CD2-CB 4.3Å; F17-A38 HydrophobicContact CE2-CB 3.93Å; F17-V44 HydrophobicContact CB-CG1 3.91Å; F17-V44 HydrophobicContact CB-CG2 4.09Å
18S94.1Very high92.1Very high42 Ų4272 Ų7229%0.29435%0.352SS..Hα-helixtrans-61.8-28.5176.9790000113.3A14 M15 I16 K25A14-S18 PolarHBondContact O-N 3.05Å; M15-S18 WeakPolarHBondContact O-CB 3.38Å; M15-S18 PolarHBondContact O-N 3.24Å; M15-S18 PolarHBondContact O-OG 2.8Å; I16-S18 PolarHBondContact O-N 2.94Å; S18-K25 WeakPolarHBondContact O-CE 3.16Å; S18-K25 PolarHBondContact O-NZ 3.12Å
19Y94.3Very high92.3Very high202 Ų20270 Ų7079%0.79234%0.344SS*.THydrogen-bonded Turntrans-81-12.1177.4-66.5-78.3000114.2M15 I16 F17M15-Y19 WeakPolarHBondContact O-CD2 3.22Å; I16-Y19 PolarHBondContact O-N 3.22Å; F17-Y19 PolarHBondContact O-N 3.31Å
20L93.4Very high92.6Very high54 Ų5470.9 Ų70.928%0.28335%0.351SS..SBendtrans-72.6154179-62.2177.4000111.6F17 D24 K25 V28F17-L20 HydrophobicContact CB-CD1 4.28Å; F17-L20 HydrophobicContact CD1-CD1 3.84Å; F17-L20 HydrophobicContact CG-CD1 4.37Å; F17-L20 WeakPolarHBondContact O-CB 3.44Å; F17-L20 PolarHBondContact O-N 3.46Å; F17-L20 VanDerWaalsContact O-N 3.13Å; L20-D24 HydrophobicContact CB-CB 4.27Å; L20-K25 HydrophobicContact CB-CG 3.91Å; L20-K25 WeakPolarHBondContact O-CE 3.41Å; L20-K25 PolarHBondContact O-NZ 3.2Å; L20-V28 HydrophobicContact CD1-CG1 3.48Å; L20-V28 VanDerWaalsContact CD1-CG1 3.48Å; L20-V28 HydrophobicContact CD1-CG2 4.34Å
21D91.8Very high92.9Very high76 Ų7671.5 Ų71.541%0.40635%0.353SS..  trans-68166.9169.379.827.2000111.3R23 D24 K25D21-R23 PolarHBondContact O-N 2.7Å; D21-R23 WeakPolarHBondContact OD1-CA 3.47Å; D21-R23 WeakPolarHBondContact OD1-CB 3.33Å; D21-R23 PolarHBondContact OD1-N 3.01Å; D21-D24 PolarHBondContact O-N 3.13Å; D21-D24 WeakPolarHBondContact OD1-CB 3.38Å; D21-D24 PolarHBondContact OD1-N 2.93Å; D21-K25 WeakPolarHBondContact O-CB 3.49Å; D21-K25 VanDerWaalsContact O-CG 3.24Å; D21-K25 WeakPolarHBondContact O-CG 3.1Å; D21-K25 PolarHBondContact O-N 3.18Å
22V89.3Confident92.9Very high82 Ų8268.3 Ų68.350%0.49734%0.343SS..Hα-helixtrans-61.4-33.6-176.2177.90000112.4G26 W45 V48V22-G26 PolarHBondContact O-N 3.43Å; V22-W45 HydrophobicContact CG1-CZ3 4.45Å; V22-V48 HydrophobicContact CG1-CG1 4.34Å; V22-V48 HydrophobicContact CG2-CG1 3.8Å; V22-V48 HydrophobicContact CG2-CG2 4.33Å
23R90.2Very high92.8Very high154 Ų15470.2 Ų70.258%0.58135%0.353SS*.Hα-helixtrans-71.8-46-178.8-178.5-173.368.2-171-3.4110D21 K25 G26 R27D21-R23 PolarHBondContact O-N 2.7Å; D21-R23 WeakPolarHBondContact OD1-CA 3.47Å; D21-R23 WeakPolarHBondContact OD1-CB 3.33Å; D21-R23 PolarHBondContact OD1-N 3.01Å; R23-K25 VanDerWaalsContact C-N 3.35Å; R23-G26 WeakPolarHBondContact O-CA 3.41Å; R23-G26 PolarHBondContact O-N 2.82Å; R23-R27 PolarHBondContact O-N 3.4Å; R23-R27 VanDerWaalsContact O-N 3.12Å
24D94.1Very high92.7Very high44 Ų4472.8 Ų72.824%0.23538%0.375CS..Hα-helixtrans-72.5-30.7-178.2-66.4-17.9000111.1L20 D21 G26 R27 V28L20-D24 HydrophobicContact CB-CB 4.27Å; D21-D24 PolarHBondContact O-N 3.13Å; D21-D24 WeakPolarHBondContact OD1-CB 3.38Å; D21-D24 PolarHBondContact OD1-N 2.93Å; D24-G26 PolarHBondContact O-N 3.27Å; D24-R27 PolarHBondContact O-N 3.09Å; D24-R27 WeakPolarHBondContact OD1-CD 3.41Å; D24-R27 IonicContact OD1-CZ 3.64Å; D24-R27 IonicContact OD1-NE 3.83Å; D24-R27 IonicContact OD1-NH1 2.8Å; D24-R27 PolarHBondContact OD1-NH1 3.19Å; D24-V28 PolarHBondContact O-N 3.45Å
25K93.1Very high92.7Very high14 Ų1474.8 Ų74.86%0.06138%0.382CS..Hα-helixtrans-56-35.9164.7-76.3172.5174.6168.40113F17 S18 L20 D21 R23 V28 V44 W45F17-K25 WeakPolarHBondContact O-CE 3.35Å; S18-K25 WeakPolarHBondContact O-CE 3.16Å; S18-K25 PolarHBondContact O-NZ 3.12Å; L20-K25 HydrophobicContact CB-CG 3.91Å; L20-K25 WeakPolarHBondContact O-CE 3.41Å; L20-K25 PolarHBondContact O-NZ 3.2Å; D21-K25 WeakPolarHBondContact O-CB 3.49Å; D21-K25 VanDerWaalsContact O-CG 3.24Å; D21-K25 WeakPolarHBondContact O-CG 3.1Å; D21-K25 PolarHBondContact O-N 3.18Å; R23-K25 VanDerWaalsContact C-N 3.35Å; K25-V28 WeakPolarHBondContact O-CG2 3.24Å; K25-V44 HydrophobicContact CD-CG1 3.96Å; K25-V44 WeakPolarHBondContact CE-O 3.44Å; K25-V44 HydrophobicContact CG-CG1 3.97Å; K25-V44 PolarHBondContact NZ-O 3.23Å; K25-W45 HydrophobicContact CB-CH2 3.58Å; K25-W45 HydrophobicContact CB-CZ2 3.98Å; K25-W45 HydrophobicContact CB-CZ3 3.96Å; K25-W45 HydrophobicContact CD-CE3 4.41Å; K25-W45 HydrophobicContact CD-CZ3 4.42Å
26G89.4Confident92.5Very high29 Ų2974.2 Ų74.230%0.29937%0.373SS..Hα-helixtrans-72-36.3173.500000113V22 R23 D24 A29V22-G26 PolarHBondContact O-N 3.43Å; R23-G26 WeakPolarHBondContact O-CA 3.41Å; R23-G26 PolarHBondContact O-N 2.82Å; D24-G26 PolarHBondContact O-N 3.27Å; G26-A29 WeakPolarHBondContact O-CB 3.44Å; G26-A29 PolarHBondContact O-N 2.86Å
27R94.1Very high92.4Very high129 Ų12975.3 Ų75.349%0.48738%0.38SS..Hα-helixtrans-70.3-41.1179.7-69.5174.9173.8169-13.7112.5R23 D24 A29 Q30R23-R27 PolarHBondContact O-N 3.4Å; R23-R27 VanDerWaalsContact O-N 3.12Å; D24-R27 PolarHBondContact O-N 3.09Å; D24-R27 WeakPolarHBondContact OD1-CD 3.41Å; D24-R27 IonicContact OD1-CZ 3.64Å; D24-R27 IonicContact OD1-NE 3.83Å; D24-R27 IonicContact OD1-NH1 2.8Å; D24-R27 PolarHBondContact OD1-NH1 3.19Å; R27-A29 PolarHBondContact O-N 2.92Å; R27-Q30 WeakPolarHBondContact O-CB 3.24Å; R27-Q30 PolarHBondContact O-N 3.36Å
28V93.4Very high92.3Very high12 Ų1275.3 Ų75.37%0.07338%0.38CS..Hα-helixtrans-59.8-32.1177.2-63.90000111.9F17 L20 D24 K25 Q30 V31 W35F17-V28 HydrophobicContact CD1-CB 4.36Å; F17-V28 HydrophobicContact CD1-CG1 4.04Å; F17-V28 HydrophobicContact CD1-CG2 4.34Å; F17-V28 HydrophobicContact CD2-CG2 4.08Å; F17-V28 HydrophobicContact CE1-CB 4.14Å; F17-V28 HydrophobicContact CE1-CG1 3.9Å; F17-V28 HydrophobicContact CE2-CB 4.29Å; F17-V28 HydrophobicContact CE2-CG2 4.28Å; F17-V28 HydrophobicContact CG-CG2 4.11Å; F17-V28 HydrophobicContact CZ-CB 4.11Å; F17-V28 HydrophobicContact CZ-CG1 4.36Å; L20-V28 HydrophobicContact CD1-CG1 3.48Å; L20-V28 VanDerWaalsContact CD1-CG1 3.48Å; L20-V28 HydrophobicContact CD1-CG2 4.34Å; D24-V28 PolarHBondContact O-N 3.45Å; K25-V28 WeakPolarHBondContact O-CG2 3.24Å; V28-Q30 PolarHBondContact O-N 2.98Å; V28-Q30 VanDerWaalsContact O-N 3.15Å; V28-V31 PolarHBondContact O-N 3.1Å; V28-W35 HydrophobicContact CB-CE3 3.76Å; V28-W35 HydrophobicContact CB-CZ3 4.25Å; V28-W35 HydrophobicContact CG1-CE3 3.9Å; V28-W35 HydrophobicContact CG1-CZ3 3.87Å; V28-W35 VanDerWaalsContact O-CB 3.31Å; V28-W35 WeakPolarHBondContact O-CB 3.1Å
29A90.6Very high92.2Very high21 Ų2173.3 Ų73.317%0.17437%0.366CS..THydrogen-bonded Turntrans-67.5-12176.100000114.2G26 R27 R36 S39 Y40G26-A29 WeakPolarHBondContact O-CB 3.44Å; G26-A29 PolarHBondContact O-N 2.86Å; R27-A29 PolarHBondContact O-N 2.92Å; A29-R36 HydrophobicContact CB-CG 4.44Å; A29-R36 WeakPolarHBondContact O-CB 3.41Å; A29-S39 WeakPolarHBondContact CB-OG 3.36Å; A29-Y40 HydrophobicContact CB-CE2 4.34Å
30Q93.4Very high92.1Very high164 Ų16468.3 Ų68.377%0.76635%0.347SS*.THydrogen-bonded Turntrans-103.1-3.2-179.2-60.8175.5-5.900112.9R27 V28R27-Q30 WeakPolarHBondContact O-CB 3.24Å; R27-Q30 PolarHBondContact O-N 3.36Å; V28-Q30 PolarHBondContact O-N 2.98Å; V28-Q30 VanDerWaalsContact O-N 3.15Å
31V93.6Very high92.2Very high87 Ų8770.6 Ų70.653%0.52736%0.356SS..THydrogen-bonded Turntrans-76.7-57.1-175.5175.20000111.7V28 W35V28-V31 PolarHBondContact O-N 3.1Å; V31-W35 HydrophobicContact CB-CB 4.35Å; V31-W35 HydrophobicContact CB-CD2 4Å; V31-W35 HydrophobicContact CB-CE3 3.68Å; V31-W35 HydrophobicContact CB-CG 4.33Å; V31-W35 HydrophobicContact CB-CZ3 4.27Å; V31-W35 HydrophobicContact CG1-CD2 3.91Å; V31-W35 HydrophobicContact CG1-CE3 3.89Å; V31-W35 HydrophobicContact CG1-CG 4.37Å; V31-W35 HydrophobicContact CG1-CZ3 4.23Å; V31-W35 HydrophobicContact CG2-CD2 4.44Å; V31-W35 HydrophobicContact CG2-CE3 3.64Å; V31-W35 HydrophobicContact CG2-CZ3 3.85Å
32C91.4Very high92.3Very high56 Ų5673.5 Ų73.538%0.37837%0.365SS..  trans-158.4172.7176.872.70000110.6A34 W35 R36C32-A34 PolarHBondContact O-N 2.9Å; C32-W35 PolarHBondContact O-N 3.49Å; C32-R36 WeakPolarHBondContact O-CB 3.42Å; C32-R36 PolarHBondContact O-N 3.15Å
33I91.3Very high92.5Very high111 Ų11172 Ų7257%0.56936%0.358SS*.Hα-helixtrans-58.9-46.6-178.8-64.8172.4000111.4W35 R36 D37I33-W35 VanDerWaalsContact C-N 3.33Å; I33-W35 PolarHBondContact O-N 3.18Å; I33-R36 WeakPolarHBondContact O-CB 3.43Å; I33-R36 PolarHBondContact O-N 3.34Å; I33-D37 WeakPolarHBondContact CG2-OD2 3.33Å; I33-D37 PolarHBondContact O-N 3.27Å
34A91Very high92.8Very high57 Ų5764.8 Ų64.847%0.47133%0.331SS..Hα-helixtrans-60.7-41.9-179.500000112.4C32 D37 A38C32-A34 PolarHBondContact O-N 2.9Å; A34-D37 PolarHBondContact O-N 2.89Å; A34-A38 WeakPolarHBondContact O-CB 3.46Å; A34-A38 PolarHBondContact O-N 3.26Å
35W93.2Very high92.8Very high45 Ų4563.1 Ų63.117%0.1732%0.321CS..Hα-helixtrans-70.1-37.9177.4-76.136.8000112I5 F17 V28 V31 C32 I33 S39I5-W35 HydrophobicContact CD1-CH2 4.46Å; I5-W35 HydrophobicContact CD1-CZ2 4.2Å; I5-W35 HydrophobicContact CG2-CH2 4.37Å; I5-W35 HydrophobicContact CG2-CZ2 3.49Å; I5-W35 VanDerWaalsContact CG2-CZ2 3.49Å; F17-W35 HydrophobicContact CE1-CD2 4.35Å; F17-W35 HydrophobicContact CE1-CE3 4.03Å; F17-W35 HydrophobicContact CE1-CZ3 4.22Å; F17-W35 HydrophobicContact CE2-CB 4.27Å; F17-W35 HydrophobicContact CE2-CG 4.43Å; F17-W35 HydrophobicContact CZ-CB 4.16Å; F17-W35 AromaticContact CZ-CD2 3.64Å; F17-W35 HydrophobicContact CZ-CD2 3.64Å; F17-W35 AromaticContact CZ-CE3 3.65Å; F17-W35 HydrophobicContact CZ-CE3 3.65Å; F17-W35 AromaticContact CZ-CG 3.88Å; F17-W35 HydrophobicContact CZ-CG 3.88Å; F17-W35 HydrophobicContact CZ-CZ3 4.29Å; V28-W35 HydrophobicContact CB-CE3 3.76Å; V28-W35 HydrophobicContact CB-CZ3 4.25Å; V28-W35 HydrophobicContact CG1-CE3 3.9Å; V28-W35 HydrophobicContact CG1-CZ3 3.87Å; V28-W35 VanDerWaalsContact O-CB 3.31Å; V28-W35 WeakPolarHBondContact O-CB 3.1Å; V31-W35 HydrophobicContact CB-CB 4.35Å; V31-W35 HydrophobicContact CB-CD2 4Å; V31-W35 HydrophobicContact CB-CE3 3.68Å; V31-W35 HydrophobicContact CB-CG 4.33Å; V31-W35 HydrophobicContact CB-CZ3 4.27Å; V31-W35 HydrophobicContact CG1-CD2 3.91Å; V31-W35 HydrophobicContact CG1-CE3 3.89Å; V31-W35 HydrophobicContact CG1-CG 4.37Å; V31-W35 HydrophobicContact CG1-CZ3 4.23Å; V31-W35 HydrophobicContact CG2-CD2 4.44Å; V31-W35 HydrophobicContact CG2-CE3 3.64Å; V31-W35 HydrophobicContact CG2-CZ3 3.85Å; C32-W35 PolarHBondContact O-N 3.49Å; I33-W35 VanDerWaalsContact C-N 3.33Å; I33-W35 PolarHBondContact O-N 3.18Å; W35-S39 WeakPolarHBondContact O-CB 3.39Å; W35-S39 PolarHBondContact O-N 2.74Å; W35-S39 PolarHBondContact O-OG 3.05Å
36R91.5Very high92.7Very high107 Ų10773.1 Ų73.140%0.40436%0.359SS..Hα-helixtrans-57.5-52172.3-174.4-173.265.8-167.4-1.8110.6A29 C32 I33 A38 S39 Y40A29-R36 HydrophobicContact CB-CG 4.44Å; A29-R36 WeakPolarHBondContact O-CB 3.41Å; C32-R36 WeakPolarHBondContact O-CB 3.42Å; C32-R36 PolarHBondContact O-N 3.15Å; I33-R36 WeakPolarHBondContact O-CB 3.43Å; I33-R36 PolarHBondContact O-N 3.34Å; R36-A38 PolarHBondContact O-N 2.68Å; R36-S39 PolarHBondContact O-N 2.92Å; R36-S39 VanDerWaalsContact O-N 3.15Å; R36-S39 PolarHBondContact O-OG 3.27Å; R36-Y40 HydrophobicContact CG-CD2 4.13Å; R36-Y40 HydrophobicContact CG-CE2 3.96Å; R36-Y40 WeakPolarHBondContact O-CD2 3.45Å; R36-Y40 PolarHBondContact O-N 3.36Å
37D91.2Very high92.8Very high91 Ų9173.7 Ų73.749%0.48737%0.365SS..Hα-helixtrans-65.4-42.3-175.7-60.8-11.7000111I33 A34 S39 Y40I33-D37 WeakPolarHBondContact CG2-OD2 3.33Å; I33-D37 PolarHBondContact O-N 3.27Å; A34-D37 PolarHBondContact O-N 2.89Å; D37-S39 PolarHBondContact O-N 3.34Å; D37-Y40 PolarHBondContact O-N 3.34Å
38A93.1Very high92.8Very high4 Ų468.3 Ų68.33%0.03335%0.347CS..Hα-helixtrans-62.5-41172.400000112.8P10 L13 F17 A34 R36 Y40 H41P10-A38 HydrophobicContact CB-CB 4.48Å; L13-A38 HydrophobicContact CB-CB 3.69Å; L13-A38 HydrophobicContact CD1-CB 4.28Å; F17-A38 HydrophobicContact CD2-CB 4.3Å; F17-A38 HydrophobicContact CE2-CB 3.93Å; A34-A38 WeakPolarHBondContact O-CB 3.46Å; A34-A38 PolarHBondContact O-N 3.26Å; R36-A38 PolarHBondContact O-N 2.68Å; A38-Y40 VanDerWaalsContact C-N 3.25Å; A38-Y40 PolarHBondContact O-N 3.42Å; A38-H41 VanDerWaalsContact O-CB 3.24Å; A38-H41 WeakPolarHBondContact O-CB 3.29Å; A38-H41 PolarHBondContact O-N 3.38Å
39S93.5Very high92.8Very high0 Ų070.7 Ų70.70%036%0.357CS..Hα-helixtrans-66.6-26.2178.375.80000112.6A29 W35 R36 D37 H41 W45A29-S39 WeakPolarHBondContact CB-OG 3.36Å; W35-S39 WeakPolarHBondContact O-CB 3.39Å; W35-S39 PolarHBondContact O-N 2.74Å; W35-S39 PolarHBondContact O-OG 3.05Å; R36-S39 PolarHBondContact O-N 2.92Å; R36-S39 VanDerWaalsContact O-N 3.15Å; R36-S39 PolarHBondContact O-OG 3.27Å; D37-S39 PolarHBondContact O-N 3.34Å; S39-H41 PolarHBondContact O-N 2.99Å; S39-W45 PolarHBondContact O-NE1 2.96Å
40Y92.5Very high93Very high97 Ų9770.3 Ų70.338%0.3835%0.353SS..THydrogen-bonded Turntrans-79.3-6.4178-89.8-118.7000113A29 R36 D37 A38 K42 A67 R68A29-Y40 HydrophobicContact CB-CE2 4.34Å; R36-Y40 HydrophobicContact CG-CD2 4.13Å; R36-Y40 HydrophobicContact CG-CE2 3.96Å; R36-Y40 WeakPolarHBondContact O-CD2 3.45Å; R36-Y40 PolarHBondContact O-N 3.36Å; D37-Y40 PolarHBondContact O-N 3.34Å; A38-Y40 VanDerWaalsContact C-N 3.25Å; A38-Y40 PolarHBondContact O-N 3.42Å; Y40-K42 PolarHBondContact O-N 2.84Å; Y40-A67 HydrophobicContact CD1-CB 4.39Å; Y40-R68 HydrophobicContact CD1-CG 4.15Å; Y40-R68 HydrophobicContact CE1-CG 4.35Å; Y40-R68 HydrophobicContact CG-CG 4.43Å
41H94.1Very high93.1Very high103 Ų10369 Ų6948%0.47735%0.345SS..SBendtrans-60.8131.6173.5-162.6-88.6000110.9A14 A38 S39 S43 V44A14-H41 HydrophobicContact CB-CB 3.88Å; A38-H41 VanDerWaalsContact O-CB 3.24Å; A38-H41 WeakPolarHBondContact O-CB 3.29Å; A38-H41 PolarHBondContact O-N 3.38Å; S39-H41 PolarHBondContact O-N 2.99Å; H41-S43 PolarHBondContact ND1-N 3Å; H41-S43 PolarHBondContact ND1-OG 3.27Å; H41-S43 PolarHBondContact O-N 3.28Å; H41-S43 VanDerWaalsContact O-N 3.09Å; H41-V44 HydrophobicContact CB-CG2 4.32Å; H41-V44 VanDerWaalsContact O-CB 3.29Å; H41-V44 WeakPolarHBondContact O-CB 3.22Å; H41-V44 WeakPolarHBondContact O-CG2 3.42Å; H41-V44 PolarHBondContact O-N 3.43Å
42K93.9Very high93Very high136 Ų13665.6 Ų65.659%0.59132%0.324SS*.THydrogen-bonded Turntrans-60-27.5-172.4-64178.6-178.91680113.6Y40 V44 W45 R46Y40-K42 PolarHBondContact O-N 2.84Å; K42-V44 PolarHBondContact O-N 3.11Å; K42-W45 PolarHBondContact O-N 2.65Å; K42-R46 PolarHBondContact O-N 3.13Å
43S94.4Very high93Very high52 Ų5268.2 Ų68.236%0.36433%0.331SS..THydrogen-bonded Turntrans-61.3-32.4176.161.80000112.6H41 W45 R46H41-S43 PolarHBondContact ND1-N 3Å; H41-S43 PolarHBondContact ND1-OG 3.27Å; H41-S43 PolarHBondContact O-N 3.28Å; H41-S43 VanDerWaalsContact O-N 3.09Å; S43-W45 VanDerWaalsContact C-N 3.26Å; S43-W45 PolarHBondContact O-N 3.28Å; S43-R46 WeakPolarHBondContact O-CB 3.44Å; S43-R46 PolarHBondContact O-N 3.41Å
44V95.4Very high92.8Very high1 Ų163.1 Ų63.11%0.00631%0.305CS..THydrogen-bonded Turntrans-63-36.5178.7179.50000110.8A14 F17 K25 H41 K42A14-V44 HydrophobicContact CB-CG2 3.9Å; A14-V44 WeakPolarHBondContact O-CG2 3.37Å; F17-V44 HydrophobicContact CB-CG1 3.91Å; F17-V44 HydrophobicContact CB-CG2 4.09Å; K25-V44 HydrophobicContact CD-CG1 3.96Å; K25-V44 WeakPolarHBondContact CE-O 3.44Å; K25-V44 HydrophobicContact CG-CG1 3.97Å; K25-V44 PolarHBondContact NZ-O 3.23Å; H41-V44 HydrophobicContact CB-CG2 4.32Å; H41-V44 VanDerWaalsContact O-CB 3.29Å; H41-V44 WeakPolarHBondContact O-CB 3.22Å; H41-V44 WeakPolarHBondContact O-CG2 3.42Å; H41-V44 PolarHBondContact O-N 3.43Å; K42-V44 PolarHBondContact O-N 3.11Å
45W94.9Very high92.5Very high9 Ų968 Ų683%0.03431%0.311CS..THydrogen-bonded Turntrans-101.28.3-174.8-55.690.7000113.6V22 K25 S39 K42 S43 G47 V48 R68 I70V22-W45 HydrophobicContact CG1-CZ3 4.45Å; K25-W45 HydrophobicContact CB-CH2 3.58Å; K25-W45 HydrophobicContact CB-CZ2 3.98Å; K25-W45 HydrophobicContact CB-CZ3 3.96Å; K25-W45 HydrophobicContact CD-CE3 4.41Å; K25-W45 HydrophobicContact CD-CZ3 4.42Å; S39-W45 PolarHBondContact O-NE1 2.96Å; K42-W45 PolarHBondContact O-N 2.65Å; S43-W45 VanDerWaalsContact C-N 3.26Å; S43-W45 PolarHBondContact O-N 3.28Å; W45-G47 PolarHBondContact O-N 2.91Å; W45-V48 HydrophobicContact CB-CG2 4.49Å; W45-V48 HydrophobicContact CE3-CG1 4.24Å; W45-V48 HydrophobicContact CE3-CG2 4.32Å; W45-V48 WeakPolarHBondContact O-CB 2.95Å; W45-V48 WeakPolarHBondContact O-CG2 3.43Å; W45-V48 PolarHBondContact O-N 3.25Å; W45-V48 VanDerWaalsContact O-N 3.07Å; W45-R68 HydrophobicContact CB-CB 4.42Å; W45-R68 WeakPolarHBondContact CB-O 3.48Å; W45-R68 HydrophobicContact CD2-CB 4.19Å; W45-R68 HydrophobicContact CD2-CG 4.33Å; W45-R68 HydrophobicContact CG-CB 3.82Å; W45-R68 HydrophobicContact CG-CG 4.31Å; W45-R68 HydrophobicContact CZ2-CG 4.44Å; W45-I70 HydrophobicContact CB-CD1 4.43Å; W45-I70 HydrophobicContact CB-CG1 3.87Å; W45-I70 HydrophobicContact CD2-CD1 4.2Å; W45-I70 HydrophobicContact CE3-CD1 3.85Å; W45-I70 HydrophobicContact CE3-CG1 4.49Å; W45-I70 HydrophobicContact CG-CD1 4.45Å; W45-I70 HydrophobicContact CG-CG1 4.35Å
46R91.6Very high92Very high224 Ų22476.3 Ų76.385%0.84534%0.342SS*.THydrogen-bonded Turntrans-57.1124.2-179.4-172.1178-177.7177.90.4110.2K42 S43 V48K42-R46 PolarHBondContact O-N 3.13Å; S43-R46 WeakPolarHBondContact O-CB 3.44Å; S43-R46 PolarHBondContact O-N 3.41Å; R46-V48 PolarHBondContact O-N 3.27Å
47G89.8Confident91.5Very high42 Ų4273.8 Ų73.843%0.43334%0.344SS..THydrogen-bonded Turntrans79.2-4.6177.700000115.9W45 R72W45-G47 PolarHBondContact O-N 2.91Å; G47-R72 PolarHBondContact O-NH1 3Å; G47-R72 VanDerWaalsContact O-NH1 3.09Å
48V94.4Very high91.2Very high16 Ų1672.9 Ų72.910%0.09734%0.339CS..PPolyproline II helixtrans-65.8134.1177.9174.80000110.8V22 W45 R46V22-V48 HydrophobicContact CG1-CG1 4.34Å; V22-V48 HydrophobicContact CG2-CG1 3.8Å; V22-V48 HydrophobicContact CG2-CG2 4.33Å; W45-V48 HydrophobicContact CB-CG2 4.49Å; W45-V48 HydrophobicContact CE3-CG1 4.24Å; W45-V48 HydrophobicContact CE3-CG2 4.32Å; W45-V48 WeakPolarHBondContact O-CB 2.95Å; W45-V48 WeakPolarHBondContact O-CG2 3.43Å; W45-V48 PolarHBondContact O-N 3.25Å; W45-V48 VanDerWaalsContact O-N 3.07Å; R46-V48 PolarHBondContact O-N 3.27Å
49E95.1Very high90.9Very high62 Ų6278.1 Ų78.129%0.2937%0.373SS..EExtended strand (participates in β ladder)trans-98.6119.9169.6-173.8-174.966.300110K51 R72 Q74E49-K51 PolarHBondContact O-N 2.98Å; E49-R72 WeakPolarHBondContact CA-O 3.48Å; E49-R72 HydrophobicContact CB-CB 4.2Å; E49-R72 HydrophobicContact CG-CB 4.28Å; E49-Q74 HydrophobicContact CG-CB 4.21Å
50A94.1Very high90.8Very high12 Ų1281.6 Ų81.610%0.09940%0.397CS..EExtended strand (participates in β ladder)trans-81.2117.3174.800000110.5L52 L65 I70 R72 V73 Q74A50-L52 HydrophobicContact CB-CD2 4.17Å; A50-L52 HydrophobicContact CB-CG 4.43Å; A50-L65 HydrophobicContact CB-CD1 4.42Å; A50-L65 HydrophobicContact CB-CD2 3.72Å; A50-I70 HydrophobicContact CB-CG2 4.03Å; A50-R72 PolarHBondContact N-O 3.48Å; A50-V73 CarbonylContact O-C 3.57Å; A50-V73 WeakPolarHBondContact O-CA 3.37Å; A50-Q74 PolarHBondContact O-N 3.35Å
51K94.4Very high90.9Very high136 Ų13678.7 Ų78.759%0.59139%0.388SS*.EExtended strand (participates in β ladder)trans-92.4115.5175.9-58.2-172.2177.3-178.70110.1E49 Q74 L76E49-K51 PolarHBondContact O-N 2.98Å; K51-Q74 CarbonylContact C-O 3.49Å; K51-Q74 WeakPolarHBondContact CA-O 3.29Å; K51-Q74 HydrophobicContact CG-CB 4.24Å; K51-L76 HydrophobicContact CB-CD1 4.06Å
52L92.6Very high90.8Very high16 Ų1674.2 Ų74.28%0.08437%0.367CS..EExtended strand (participates in β ladder)trans-118.8135-167.1-55.3-177.8000112.4A50 L54 L61 F62 L65 V73 Q74 I75 L76A50-L52 HydrophobicContact CB-CD2 4.17Å; A50-L52 HydrophobicContact CB-CG 4.43Å; L52-L54 HydrophobicContact CB-CD2 4.21Å; L52-L54 HydrophobicContact CB-CG 4.31Å; L52-L54 HydrophobicContact CD1-CD2 4.44Å; L52-L61 HydrophobicContact CD1-CD2 4.32Å; L52-L61 HydrophobicContact CD2-CD1 4.12Å; L52-L61 HydrophobicContact CD2-CD2 4.43Å; L52-F62 HydrophobicContact CD1-CE1 4.41Å; L52-L65 HydrophobicContact CD1-CD1 4.03Å; L52-L65 HydrophobicContact CD2-CD1 4.43Å; L52-V73 HydrophobicContact CD1-CG1 3.48Å; L52-V73 VanDerWaalsContact CD1-CG1 3.48Å; L52-V73 HydrophobicContact CG-CG1 3.98Å; L52-Q74 PolarHBondContact N-O 2.8Å; L52-I75 HydrophobicContact CB-CD1 4.01Å; L52-I75 HydrophobicContact CD1-CD1 4.09Å; L52-I75 HydrophobicContact CG-CD1 4.49Å; L52-L76 PolarHBondContact O-N 3.44Å
53H90.6Very high90.9Very high112 Ų11271.4 Ų71.452%0.51936%0.363SS..EExtended strand (participates in β ladder)trans-105103.6164-69.5-77000109.5R55 L76H53-R55 VanDerWaalsContact C-N 3.3Å; H53-R55 PolarHBondContact O-N 3.09Å; H53-R55 VanDerWaalsContact O-N 3.11Å; H53-L76 WeakPolarHBondContact CE1-CB 3Å; H53-L76 WeakPolarHBondContact NE2-CD1 3.09Å
54L87.9Confident90.8Very high4 Ų470.3 Ų70.32%0.02136%0.355CS..EExtended strand (participates in β ladder)trans-9262.7-177.1-60.2-178.2000111L52 L61 I75 S77 L78 R79 V85L52-L54 HydrophobicContact CB-CD2 4.21Å; L52-L54 HydrophobicContact CB-CG 4.31Å; L52-L54 HydrophobicContact CD1-CD2 4.44Å; L54-L61 HydrophobicContact CD2-CD2 3.72Å; L54-I75 HydrophobicContact CD1-CD1 3.73Å; L54-I75 HydrophobicContact CD1-CG2 4.42Å; L54-I75 HydrophobicContact CG-CD1 4.31Å; L54-S77 PolarHBondContact N-O 2.81Å; L54-L78 HydrophobicContact CB-CD1 4.46Å; L54-L78 HydrophobicContact CD1-CD1 4.11Å; L54-R79 PolarHBondContact O-N 2.82Å; L54-V85 HydrophobicContact CD1-CG2 3.38Å
55R84.3Confident90.7Very high160 Ų16070.5 Ų70.560%0.60436%0.356SS*.SBendtrans-84.7-32.9178-65.9-175.6-179.9-176.52.3113.2H53H53-R55 VanDerWaalsContact C-N 3.3Å; H53-R55 PolarHBondContact O-N 3.09Å; H53-R55 VanDerWaalsContact O-N 3.11Å
56R82.9Confident90.7Very high219 Ų21974.1 Ų74.183%0.82637%0.374SS*.SBendtrans-132.4156.1-179.8-65-176-179.9176.7-0.2109.5
57A80.3Confident90.7Very high54 Ų5466 Ų6645%0.44635%0.354SS..  trans-68.8136.9173.200000109.5
58N85.8Confident90.9Very high72 Ų7266 Ų6639%0.38534%0.341SS..  trans-134.7104.3170.1-177.5-12.4000108.2S60 L61 Y84N58-S60 PolarHBondContact O-N 3.23Å; N58-S60 PolarHBondContact OD1-N 2.75Å; N58-S60 VanDerWaalsContact OD1-N 3.13Å; N58-S60 PolarHBondContact OD1-OG 3.2Å; N58-L61 HydrophobicContact CB-CB 4.02Å; N58-L61 WeakPolarHBondContact O-CB 3.07Å; N58-L61 PolarHBondContact O-N 3.37Å; N58-Y84 PolarHBondContact O-OH 3.22Å
59P87.4Confident90.9Very high113 Ų11366.4 Ų66.473%0.73435%0.348SS*.THydrogen-bonded Turntrans-65.9-24.3-174.526.2-33.4000113.2P63P59-P63 VanDerWaalsContact O-CD 3.29Å; P59-P63 WeakPolarHBondContact O-CD 3.44Å; P59-P63 WeakPolarHBondContact O-CG 3.46Å
60S91.3Very high90.9Very high74 Ų7463.7 Ų63.752%0.51734%0.336SS..THydrogen-bonded Turntrans-87.8-11.2-179.2660000113.8N58 S64N58-S60 PolarHBondContact O-N 3.23Å; N58-S60 PolarHBondContact OD1-N 2.75Å; N58-S60 VanDerWaalsContact OD1-N 3.13Å; N58-S60 PolarHBondContact OD1-OG 3.2Å; S60-S64 WeakPolarHBondContact O-CB 3.33Å; S60-S64 PolarHBondContact O-N 3.45Å
61L92.9Very high91Very high36 Ų3668.4 Ų68.419%0.18835%0.351CS..Hα-helixtrans-60.9-60.8-173.8176.862.3000112.2L52 L54 N58 S64 L65L52-L61 HydrophobicContact CD1-CD2 4.32Å; L52-L61 HydrophobicContact CD2-CD1 4.12Å; L52-L61 HydrophobicContact CD2-CD2 4.43Å; L54-L61 HydrophobicContact CD2-CD2 3.72Å; N58-L61 HydrophobicContact CB-CB 4.02Å; N58-L61 WeakPolarHBondContact O-CB 3.07Å; N58-L61 PolarHBondContact O-N 3.37Å; L61-S64 WeakPolarHBondContact O-CB 3.47Å; L61-S64 PolarHBondContact O-N 2.89Å; L61-L65 HydrophobicContact CD1-CD1 4.2Å; L61-L65 HydrophobicContact CD1-CG 4.41Å; L61-L65 HydrophobicContact CG-CD1 4.28Å; L61-L65 WeakPolarHBondContact O-CG 3.45Å; L61-L65 PolarHBondContact O-N 3.38Å
62F93.8Very high91.2Very high9 Ų967.1 Ų67.14%0.03934%0.343CS..Hα-helixtrans-68.5-42.1-176.3-56.7-54.9000113.4L52 S64 L65 Q66 Y84 V85 G88 M89L52-F62 HydrophobicContact CD1-CE1 4.41Å; F62-S64 PolarHBondContact O-N 2.96Å; F62-L65 HydrophobicContact CD1-CD1 4.2Å; F62-L65 PolarHBondContact O-N 3.49Å; F62-L65 VanDerWaalsContact O-N 3.13Å; F62-Q66 WeakPolarHBondContact O-CB 3.4Å; F62-Q66 WeakPolarHBondContact O-CG 3.4Å; F62-Q66 PolarHBondContact O-N 2.68Å; F62-Y84 HydrophobicContact CD2-CE1 4.21Å; F62-Y84 AromaticContact CE2-CD1 3.48Å; F62-Y84 HydrophobicContact CE2-CD1 3.48Å; F62-Y84 VanDerWaalsContact CE2-CD1 3.48Å; F62-Y84 HydrophobicContact CE2-CD2 4.21Å; F62-Y84 AromaticContact CE2-CE1 3.2Å; F62-Y84 HydrophobicContact CE2-CE1 3.2Å; F62-Y84 AromaticContact CE2-CE2 3.96Å; F62-Y84 HydrophobicContact CE2-CE2 3.96Å; F62-Y84 AromaticContact CE2-CG 3.99Å; F62-Y84 HydrophobicContact CE2-CG 3.99Å; F62-Y84 AromaticContact CE2-CZ 3.45Å; F62-Y84 VanDerWaalsContact CE2-CZ 3.45Å; F62-Y84 VanDerWaalsContact CE2-O 3.26Å; F62-Y84 WeakPolarHBondContact CE2-O 3.41Å; F62-Y84 AromaticContact CZ-CD1 3.74Å; F62-Y84 HydrophobicContact CZ-CD1 3.74Å; F62-Y84 AromaticContact CZ-CE1 3.67Å; F62-Y84 HydrophobicContact CZ-CE1 3.67Å; F62-V85 HydrophobicContact CE1-CG1 4.43Å; F62-V85 HydrophobicContact CZ-CB 4.38Å; F62-V85 HydrophobicContact CZ-CG2 4.15Å; F62-G88 VanDerWaalsContact CB-O 3.28Å; F62-G88 WeakPolarHBondContact CB-O 3.09Å; F62-M89 HydrophobicContact CB-CG 4.26Å; F62-M89 HydrophobicContact CD1-CG 3.71Å; F62-M89 HydrophobicContact CD1-SD 3.88Å; F62-M89 HydrophobicContact CE1-CG 4.38Å; F62-M89 HydrophobicContact CE1-SD 4.36Å; F62-M89 HydrophobicContact CG-CG 4.23Å
63P94.4Very high91.4Very high76 Ų7666.4 Ų66.449%0.49434%0.339SS..Hα-helixtrans-54.3-41.1171-28.136.3000112.6P59 Q66 A67P59-P63 VanDerWaalsContact O-CD 3.29Å; P59-P63 WeakPolarHBondContact O-CD 3.44Å; P59-P63 WeakPolarHBondContact O-CG 3.46Å; P63-Q66 PolarHBondContact O-N 3.31Å; P63-A67 WeakPolarHBondContact O-CB 3.33Å; P63-A67 PolarHBondContact O-N 2.88Å
64S92.6Very high91.7Very high29 Ų2962.3 Ų62.320%0.20332%0.32CS..Hα-helixtrans-66.1-40.6176.61770000113S60 L61 F62 R68S60-S64 WeakPolarHBondContact O-CB 3.33Å; S60-S64 PolarHBondContact O-N 3.45Å; L61-S64 WeakPolarHBondContact O-CB 3.47Å; L61-S64 PolarHBondContact O-N 2.89Å; F62-S64 PolarHBondContact O-N 2.96Å; S64-R68 WeakPolarHBondContact O-CG 3.26Å; S64-R68 PolarHBondContact O-N 2.87Å; S64-R68 PolarHBondContact O-NE 3.39Å; S64-R68 PolarHBondContact OG-NE 3.37Å; S64-R68 PolarHBondContact OG-NH2 3.17Å
65L94.3Very high92Very high5 Ų562.1 Ų62.13%0.02632%0.319CS..Hα-helixtrans-65-42.7175.7-68.6174.1000111.2A50 L52 L61 F62 R68 G69 I70 M89A50-L65 HydrophobicContact CB-CD1 4.42Å; A50-L65 HydrophobicContact CB-CD2 3.72Å; L52-L65 HydrophobicContact CD1-CD1 4.03Å; L52-L65 HydrophobicContact CD2-CD1 4.43Å; L61-L65 HydrophobicContact CD1-CD1 4.2Å; L61-L65 HydrophobicContact CD1-CG 4.41Å; L61-L65 HydrophobicContact CG-CD1 4.28Å; L61-L65 WeakPolarHBondContact O-CG 3.45Å; L61-L65 PolarHBondContact O-N 3.38Å; F62-L65 HydrophobicContact CD1-CD1 4.2Å; F62-L65 PolarHBondContact O-N 3.49Å; F62-L65 VanDerWaalsContact O-N 3.13Å; L65-R68 PolarHBondContact O-N 2.79Å; L65-G69 PolarHBondContact O-N 3.33Å; L65-I70 HydrophobicContact CB-CB 4.41Å; L65-I70 HydrophobicContact CD2-CB 4.33Å; L65-I70 HydrophobicContact CD2-CD1 3.63Å; L65-I70 HydrophobicContact CD2-CG2 4.31Å; L65-I70 PolarHBondContact O-N 3.13Å; L65-M89 HydrophobicContact CB-CE 4.32Å; L65-M89 HydrophobicContact CB-SD 4.36Å; L65-M89 HydrophobicContact CD1-SD 3.84Å
66Q93.9Very high92.4Very high86 Ų8658 Ų5840%0.40231%0.308SS..Hα-helixtrans-65-43.6177.5-71.3-175.550.900112.4F62 P63 R68 G69 G88F62-Q66 WeakPolarHBondContact O-CB 3.4Å; F62-Q66 WeakPolarHBondContact O-CG 3.4Å; F62-Q66 PolarHBondContact O-N 2.68Å; P63-Q66 PolarHBondContact O-N 3.31Å; Q66-R68 PolarHBondContact O-N 2.92Å; Q66-G69 WeakPolarHBondContact O-CA 3.28Å; Q66-G69 PolarHBondContact O-N 3.25Å; Q66-G88 PolarHBondContact NE2-O 2.88Å
67A92.8Very high92.5Very high53 Ų5349.1 Ų49.144%0.43828%0.28SS..Hα-helixtrans-57.4-40.1177.200000111.5Y40 P63 G69Y40-A67 HydrophobicContact CD1-CB 4.39Å; P63-A67 WeakPolarHBondContact O-CB 3.33Å; P63-A67 PolarHBondContact O-N 2.88Å; A67-G69 PolarHBondContact O-N 3.07Å
68R93.6Very high92.5Very high42 Ų4248.6 Ų48.616%0.15827%0.269CS..THydrogen-bonded Turntrans-76.2-5.8175.5-70.8178.4-76.5168.9-7114Y40 W45 S64 L65 Q66 I70Y40-R68 HydrophobicContact CD1-CG 4.15Å; Y40-R68 HydrophobicContact CE1-CG 4.35Å; Y40-R68 HydrophobicContact CG-CG 4.43Å; W45-R68 HydrophobicContact CB-CB 4.42Å; W45-R68 WeakPolarHBondContact CB-O 3.48Å; W45-R68 HydrophobicContact CD2-CB 4.19Å; W45-R68 HydrophobicContact CD2-CG 4.33Å; W45-R68 HydrophobicContact CG-CB 3.82Å; W45-R68 HydrophobicContact CG-CG 4.31Å; W45-R68 HydrophobicContact CZ2-CG 4.44Å; S64-R68 WeakPolarHBondContact O-CG 3.26Å; S64-R68 PolarHBondContact O-N 2.87Å; S64-R68 PolarHBondContact O-NE 3.39Å; S64-R68 PolarHBondContact OG-NE 3.37Å; S64-R68 PolarHBondContact OG-NH2 3.17Å; L65-R68 PolarHBondContact O-N 2.79Å; Q66-R68 PolarHBondContact O-N 2.92Å; R68-I70 VanDerWaalsContact C-N 3.29Å; R68-I70 HydrophobicContact CB-CD1 3.99Å; R68-I70 HydrophobicContact CB-CG1 4.08Å; R68-I70 PolarHBondContact O-N 3.39Å
69G94.1Very high92.4Very high24 Ų2454.9 Ų54.925%0.24729%0.288CS..THydrogen-bonded Turntrans7121.1-178.300000114.2L65 Q66 A67 R71L65-G69 PolarHBondContact O-N 3.33Å; Q66-G69 WeakPolarHBondContact O-CA 3.28Å; Q66-G69 PolarHBondContact O-N 3.25Å; A67-G69 PolarHBondContact O-N 3.07Å; G69-R71 PolarHBondContact O-N 3.09Å
70I95.8Very high92Very high6 Ų655.2 Ų55.23%0.03127%0.274CS..  trans-74.7125.7178.5-63.7165.7000109.1W45 A50 L65 R68 M89W45-I70 HydrophobicContact CB-CD1 4.43Å; W45-I70 HydrophobicContact CB-CG1 3.87Å; W45-I70 HydrophobicContact CD2-CD1 4.2Å; W45-I70 HydrophobicContact CE3-CD1 3.85Å; W45-I70 HydrophobicContact CE3-CG1 4.49Å; W45-I70 HydrophobicContact CG-CD1 4.45Å; W45-I70 HydrophobicContact CG-CG1 4.35Å; A50-I70 HydrophobicContact CB-CG2 4.03Å; L65-I70 HydrophobicContact CB-CB 4.41Å; L65-I70 HydrophobicContact CD2-CB 4.33Å; L65-I70 HydrophobicContact CD2-CD1 3.63Å; L65-I70 HydrophobicContact CD2-CG2 4.31Å; L65-I70 PolarHBondContact O-N 3.13Å; R68-I70 VanDerWaalsContact C-N 3.29Å; R68-I70 HydrophobicContact CB-CD1 3.99Å; R68-I70 HydrophobicContact CB-CG1 4.08Å; R68-I70 PolarHBondContact O-N 3.39Å; I70-M89 WeakPolarHBondContact O-CE 3.36Å
71R96.4Very high91.8Very high110 Ų11054.3 Ų54.342%0.41527%0.268SS..  trans-122.50.2-178-59.7-179.7-177.2-177-3.5113.7G69 N91 E93 S94G69-R71 PolarHBondContact O-N 3.09Å; R71-N91 WeakPolarHBondContact CB-O 3.49Å; R71-N91 WeakPolarHBondContact CD-O 3.31Å; R71-N91 VanDerWaalsContact CG-O 3.31Å; R71-N91 WeakPolarHBondContact CG-O 3.36Å; R71-E93 HydrophobicContact CB-CB 3.99Å; R71-E93 HydrophobicContact CB-CG 3.92Å; R71-E93 WeakPolarHBondContact CD-OE1 3.46Å; R71-E93 IonicContact CZ-OE1 3.03Å; R71-E93 IonicContact NE-OE1 3.77Å; R71-E93 IonicContact NH1-OE1 3.53Å; R71-E93 PolarHBondContact NH1-OE1 3.15Å; R71-E93 PolarHBondContact O-N 3.29Å; R71-S94 PolarHBondContact O-N 2.8Å; R71-S94 VanDerWaalsContact O-N 3.15Å
72R97.8Very high91.7Very high110 Ų11052.6 Ų52.642%0.41526%0.259SS..EExtended strand (participates in β ladder)trans-116.7126.6-179.3-54.9-178.4177.9168-7.1109.3G47 E49 A50 S94G47-R72 PolarHBondContact O-NH1 3Å; G47-R72 VanDerWaalsContact O-NH1 3.09Å; E49-R72 WeakPolarHBondContact CA-O 3.48Å; E49-R72 HydrophobicContact CB-CB 4.2Å; E49-R72 HydrophobicContact CG-CB 4.28Å; A50-R72 PolarHBondContact N-O 3.48Å; R72-S94 WeakPolarHBondContact CA-O 3.45Å
73V96.8Very high91.6Very high0 Ų053.4 Ų53.40%027%0.265CS..EExtended strand (participates in β ladder)trans-137.5131.4-173.8178.90000110.3A50 L52 I75 M89 I92 S94 N96A50-V73 CarbonylContact O-C 3.57Å; A50-V73 WeakPolarHBondContact O-CA 3.37Å; L52-V73 HydrophobicContact CD1-CG1 3.48Å; L52-V73 VanDerWaalsContact CD1-CG1 3.48Å; L52-V73 HydrophobicContact CG-CG1 3.98Å; V73-I75 HydrophobicContact CG1-CD1 3.52Å; V73-I75 HydrophobicContact CG1-CG1 4.34Å; V73-M89 HydrophobicContact CG2-CE 3.74Å; V73-M89 HydrophobicContact CG2-SD 3.58Å; V73-M89 VanDerWaalsContact CG2-SD 3.58Å; V73-I92 HydrophobicContact CB-CD1 4.34Å; V73-I92 HydrophobicContact CG2-CD1 4.42Å; V73-S94 PolarHBondContact N-O 2.92Å; V73-N96 PolarHBondContact O-N 2.9Å
74Q96.5Very high91.4Very high26 Ų2652.8 Ų52.812%0.12125%0.254CS..EExtended strand (participates in β ladder)trans-107.2127.3165.3-176.9179.42300109.8E49 A50 K51 L52 L76 N96E49-Q74 HydrophobicContact CG-CB 4.21Å; A50-Q74 PolarHBondContact O-N 3.35Å; K51-Q74 CarbonylContact C-O 3.49Å; K51-Q74 WeakPolarHBondContact CA-O 3.29Å; K51-Q74 HydrophobicContact CG-CB 4.24Å; L52-Q74 PolarHBondContact N-O 2.8Å; Q74-L76 HydrophobicContact CG-CD2 4Å; Q74-N96 CarbonylContact C-O 3.33Å; Q74-N96 VanDerWaalsContact CA-O 3.28Å; Q74-N96 WeakPolarHBondContact CA-O 3.45Å; Q74-N96 HydrophobicContact CB-CB 3.98Å; Q74-N96 HydrophobicContact CG-CB 4.02Å
75I94.9Very high91.4Very high0 Ų051.4 Ų51.40%024%0.244CC..EExtended strand (participates in β ladder)trans-97.9114.2173-51.3-56.8000108.6L52 L54 V73 L78 V85 L95 N96 L97 C100L52-I75 HydrophobicContact CB-CD1 4.01Å; L52-I75 HydrophobicContact CD1-CD1 4.09Å; L52-I75 HydrophobicContact CG-CD1 4.49Å; L54-I75 HydrophobicContact CD1-CD1 3.73Å; L54-I75 HydrophobicContact CD1-CG2 4.42Å; L54-I75 HydrophobicContact CG-CD1 4.31Å; V73-I75 HydrophobicContact CG1-CD1 3.52Å; V73-I75 HydrophobicContact CG1-CG1 4.34Å; I75-L78 HydrophobicContact CG2-CB 3.89Å; I75-L78 HydrophobicContact CG2-CD1 4.21Å; I75-V85 HydrophobicContact CD1-CG1 4.45Å; I75-V85 HydrophobicContact CD1-CG2 4.11Å; I75-L95 HydrophobicContact CG1-CD1 4.28Å; I75-N96 PolarHBondContact N-O 2.84Å; I75-L97 HydrophobicContact CB-CD2 3.69Å; I75-L97 HydrophobicContact CG1-CD2 3.61Å; I75-C100 PolarHBondContact O-SG 3.35Å
76L91.4Very high91.3Very high73 Ų7352.2 Ų52.238%0.38225%0.248SC..EExtended strand (participates in β ladder)trans-89.6-23.6-179.9-62.7176.3000112.6K51 L52 H53 Q74K51-L76 HydrophobicContact CB-CD1 4.06Å; L52-L76 PolarHBondContact O-N 3.44Å; H53-L76 WeakPolarHBondContact CE1-CB 3Å; H53-L76 WeakPolarHBondContact NE2-CD1 3.09Å; Q74-L76 HydrophobicContact CG-CD2 4Å
77S85.4Confident91.2Very high33 Ų3355.4 Ų55.423%0.23126%0.263CS..EExtended strand (participates in β ladder)trans-156.1124.5177.3-178.90000109.2L54L54-S77 PolarHBondContact N-O 2.81Å
78L81.6Confident91.2Very high44 Ų4453.6 Ų53.623%0.2325%0.249CC..EExtended strand (participates in β ladder)trans-119.3108.1-177.9-173.167.3000109.2L54 I75 R80 L82L54-L78 HydrophobicContact CB-CD1 4.46Å; L54-L78 HydrophobicContact CD1-CD1 4.11Å; I75-L78 HydrophobicContact CG2-CB 3.89Å; I75-L78 HydrophobicContact CG2-CD1 4.21Å; L78-R80 WeakPolarHBondContact CD1-O 3.4Å; L78-R80 WeakPolarHBondContact CG-O 3.28Å; L78-L82 HydrophobicContact CD2-CB 4Å; L78-L82 HydrophobicContact CD2-CD1 4.41Å
79R82Confident91.2Very high204 Ų20451.8 Ų51.877%0.7724%0.243SC*.  trans-100.1-14.8168.4-74.6-165.8176.8-164.6-1.3113.2L54L54-R79 PolarHBondContact O-N 2.82Å
80R79.4Confident91Very high120 Ų12054 Ų5445%0.45325%0.253SS..SBendtrans-103.7168.4179.7-69.3-173.6172.2-99.7-7110.2L78L78-R80 WeakPolarHBondContact CD1-O 3.4Å; L78-R80 WeakPolarHBondContact CG-O 3.28Å
81S87.5Confident90.9Very high54 Ų5458.4 Ų58.438%0.37828%0.276SS..  trans-58.6140.9170.5178.90000111S83 Y84S81-S83 WeakPolarHBondContact CB-OG 3.43Å; S81-S83 PolarHBondContact O-N 3.29Å; S81-S83 WeakPolarHBondContact OG-CB 3.29Å; S81-S83 PolarHBondContact OG-N 3.4Å; S81-S83 PolarHBondContact OG-OG 2.94Å; S81-Y84 WeakPolarHBondContact O-CB 3.32Å; S81-Y84 PolarHBondContact O-N 3.31Å; S81-Y84 VanDerWaalsContact O-N 3.17Å
82L91.1Very high90.9Very high1 Ų153.1 Ų53.11%0.00526%0.257CS..THydrogen-bonded Turntrans-62.6-24.5173-179.766.8000111.8L78 Y84 V85 I86 L95 L97 L108 A111 F112L78-L82 HydrophobicContact CD2-CB 4Å; L78-L82 HydrophobicContact CD2-CD1 4.41Å; L82-Y84 PolarHBondContact O-N 3.03Å; L82-Y84 VanDerWaalsContact O-N 3.13Å; L82-V85 HydrophobicContact CD1-CB 4.25Å; L82-V85 HydrophobicContact CD1-CG2 4.23Å; L82-V85 WeakPolarHBondContact O-CB 3.31Å; L82-V85 PolarHBondContact O-N 3.45Å; L82-I86 PolarHBondContact O-N 2.94Å; L82-L95 HydrophobicContact CD1-CD2 4.29Å; L82-L95 HydrophobicContact CD2-CD2 4.4Å; L82-L97 HydrophobicContact CD1-CD1 4.08Å; L82-L97 HydrophobicContact CD1-CD2 3.81Å; L82-L97 HydrophobicContact CD2-CD1 3.58Å; L82-L97 HydrophobicContact CG-CD1 4.49Å; L82-L108 HydrophobicContact CD2-CD2 3.48Å; L82-L108 VanDerWaalsContact CD2-CD2 3.48Å; L82-A111 HydrophobicContact CB-CB 3.77Å; L82-A111 HydrophobicContact CD2-CB 3.73Å; L82-A111 HydrophobicContact CG-CB 3.73Å; L82-F112 HydrophobicContact CD2-CZ 4.49Å
83S90.8Very high90.9Very high25 Ų2550.9 Ų50.918%0.17525%0.251CS..Hα-helixtrans-54.8-31.2173.863.50000113S81 V85 I86 Q87S81-S83 WeakPolarHBondContact CB-OG 3.43Å; S81-S83 PolarHBondContact O-N 3.29Å; S81-S83 WeakPolarHBondContact OG-CB 3.29Å; S81-S83 PolarHBondContact OG-N 3.4Å; S81-S83 PolarHBondContact OG-OG 2.94Å; S83-V85 VanDerWaalsContact C-N 3.26Å; S83-V85 PolarHBondContact O-N 3.29Å; S83-I86 PolarHBondContact O-N 3.33Å; S83-Q87 WeakPolarHBondContact O-CB 3.12Å; S83-Q87 VanDerWaalsContact O-CG 3.29Å; S83-Q87 WeakPolarHBondContact O-CG 3.19Å; S83-Q87 PolarHBondContact O-N 3.13Å
84Y90.4Very high91Very high64 Ų6451.5 Ų51.525%0.25126%0.255SS..Hα-helixtrans-60.1-36.2175.5-179.3-117.2000112.4N58 F62 S81 L82 G88N58-Y84 PolarHBondContact O-OH 3.22Å; F62-Y84 HydrophobicContact CD2-CE1 4.21Å; F62-Y84 AromaticContact CE2-CD1 3.48Å; F62-Y84 HydrophobicContact CE2-CD1 3.48Å; F62-Y84 VanDerWaalsContact CE2-CD1 3.48Å; F62-Y84 HydrophobicContact CE2-CD2 4.21Å; F62-Y84 AromaticContact CE2-CE1 3.2Å; F62-Y84 HydrophobicContact CE2-CE1 3.2Å; F62-Y84 AromaticContact CE2-CE2 3.96Å; F62-Y84 HydrophobicContact CE2-CE2 3.96Å; F62-Y84 AromaticContact CE2-CG 3.99Å; F62-Y84 HydrophobicContact CE2-CG 3.99Å; F62-Y84 AromaticContact CE2-CZ 3.45Å; F62-Y84 VanDerWaalsContact CE2-CZ 3.45Å; F62-Y84 VanDerWaalsContact CE2-O 3.26Å; F62-Y84 WeakPolarHBondContact CE2-O 3.41Å; F62-Y84 AromaticContact CZ-CD1 3.74Å; F62-Y84 HydrophobicContact CZ-CD1 3.74Å; F62-Y84 AromaticContact CZ-CE1 3.67Å; F62-Y84 HydrophobicContact CZ-CE1 3.67Å; S81-Y84 WeakPolarHBondContact O-CB 3.32Å; S81-Y84 PolarHBondContact O-N 3.31Å; S81-Y84 VanDerWaalsContact O-N 3.17Å; L82-Y84 PolarHBondContact O-N 3.03Å; L82-Y84 VanDerWaalsContact O-N 3.13Å; Y84-G88 PolarHBondContact O-N 3.17Å
85V92.4Very high91Very high0 Ų050.2 Ų50.20%025%0.249CC..Hα-helixtrans-73.7-46.9177.7-176.60000110.5L54 F62 I75 L82 S83 G88 M89 L95L54-V85 HydrophobicContact CD1-CG2 3.38Å; F62-V85 HydrophobicContact CE1-CG1 4.43Å; F62-V85 HydrophobicContact CZ-CB 4.38Å; F62-V85 HydrophobicContact CZ-CG2 4.15Å; I75-V85 HydrophobicContact CD1-CG1 4.45Å; I75-V85 HydrophobicContact CD1-CG2 4.11Å; L82-V85 HydrophobicContact CD1-CB 4.25Å; L82-V85 HydrophobicContact CD1-CG2 4.23Å; L82-V85 WeakPolarHBondContact O-CB 3.31Å; L82-V85 PolarHBondContact O-N 3.45Å; S83-V85 VanDerWaalsContact C-N 3.26Å; S83-V85 PolarHBondContact O-N 3.29Å; V85-G88 PolarHBondContact O-N 3.29Å; V85-M89 PolarHBondContact O-N 3.31Å; V85-L95 HydrophobicContact CG1-CD1 4.44Å
86I93.3Very high91.2Very high22 Ų2251.2 Ų51.211%0.11325%0.254CS..Hα-helixtrans-62.9-46.6-178.2-58.9-52.4000111L82 S83 M89 L95 A111 F112 I116L82-I86 PolarHBondContact O-N 2.94Å; S83-I86 PolarHBondContact O-N 3.33Å; I86-M89 CarbonylContact O-C 3.44Å; I86-M89 PolarHBondContact O-N 2.89Å; I86-L95 HydrophobicContact CD1-CD2 3.88Å; I86-A111 HydrophobicContact CG1-CB 4.23Å; I86-F112 HydrophobicContact CD1-CE1 4.06Å; I86-F112 HydrophobicContact CG1-CE1 4.32Å; I86-I116 HydrophobicContact CD1-CD1 4.09Å; I86-I116 HydrophobicContact CG1-CD1 4.37Å; I86-I116 HydrophobicContact CG2-CD1 3.54Å; I86-I116 HydrophobicContact CG2-CG1 4.31Å
87Q91.6Very high91.4Very high153 Ų15347.8 Ų47.872%0.71524%0.236SC*.Hα-helixtrans-67.4-37.9176.6-69174.6-6.500111.9S83 M89S83-Q87 WeakPolarHBondContact O-CB 3.12Å; S83-Q87 VanDerWaalsContact O-CG 3.29Å; S83-Q87 WeakPolarHBondContact O-CG 3.19Å; S83-Q87 PolarHBondContact O-N 3.13Å; Q87-M89 VanDerWaalsContact C-N 3.26Å; Q87-M89 PolarHBondContact O-N 2.88Å
88G92Very high92Very high14 Ų1447.8 Ų47.814%0.14424%0.237CC..Hα-helixtrans-69.8-19.8177.100000113.9F62 Q66 Y84 V85F62-G88 VanDerWaalsContact CB-O 3.28Å; F62-G88 WeakPolarHBondContact CB-O 3.09Å; Q66-G88 PolarHBondContact NE2-O 2.88Å; Y84-G88 PolarHBondContact O-N 3.17Å; V85-G88 PolarHBondContact O-N 3.29Å
89M93.1Very high92.5Very high4 Ų446.9 Ų46.92%0.0224%0.237CC..  trans-139.277.6-176.1-66.8-167.66200111.9F62 L65 I70 V73 V85 I86 Q87 N91 I92F62-M89 HydrophobicContact CB-CG 4.26Å; F62-M89 HydrophobicContact CD1-CG 3.71Å; F62-M89 HydrophobicContact CD1-SD 3.88Å; F62-M89 HydrophobicContact CE1-CG 4.38Å; F62-M89 HydrophobicContact CE1-SD 4.36Å; F62-M89 HydrophobicContact CG-CG 4.23Å; L65-M89 HydrophobicContact CB-CE 4.32Å; L65-M89 HydrophobicContact CB-SD 4.36Å; L65-M89 HydrophobicContact CD1-SD 3.84Å; I70-M89 WeakPolarHBondContact O-CE 3.36Å; V73-M89 HydrophobicContact CG2-CE 3.74Å; V73-M89 HydrophobicContact CG2-SD 3.58Å; V73-M89 VanDerWaalsContact CG2-SD 3.58Å; V85-M89 PolarHBondContact O-N 3.31Å; I86-M89 CarbonylContact O-C 3.44Å; I86-M89 PolarHBondContact O-N 2.89Å; Q87-M89 VanDerWaalsContact C-N 3.26Å; Q87-M89 PolarHBondContact O-N 2.88Å; M89-N91 PolarHBondContact O-N 3.18Å; M89-I92 HydrophobicContact CB-CB 4.33Å; M89-I92 WeakPolarHBondContact O-CB 3.04Å; M89-I92 WeakPolarHBondContact O-CG2 3.47Å; M89-I92 PolarHBondContact O-N 3.27Å
90P91.1Very high92.9Very high71 Ų7137.8 Ų37.846%0.46121%0.205SC..THydrogen-bonded Turntrans-65.5-24.1-175.325.5-35000113.9S118P90-S118 PolarHBondContact O-OG 2.95Å
91N93.4Very high93.4Very high98 Ų9838 Ų3852%0.52421%0.207SC..THydrogen-bonded Turntrans-99.728179.8-65.3-49.4000112.9R71 M89 E93R71-N91 WeakPolarHBondContact CB-O 3.49Å; R71-N91 WeakPolarHBondContact CD-O 3.31Å; R71-N91 VanDerWaalsContact CG-O 3.31Å; R71-N91 WeakPolarHBondContact CG-O 3.36Å; M89-N91 PolarHBondContact O-N 3.18Å; N91-E93 PolarHBondContact O-N 2.72Å
92I96.2Very high93.4Very high0 Ų042 Ų420%022%0.224CC..  trans-66128178.5-169.8165.8000111V73 M89 L95 I116 S118 L119V73-I92 HydrophobicContact CB-CD1 4.34Å; V73-I92 HydrophobicContact CG2-CD1 4.42Å; M89-I92 HydrophobicContact CB-CB 4.33Å; M89-I92 WeakPolarHBondContact O-CB 3.04Å; M89-I92 WeakPolarHBondContact O-CG2 3.47Å; M89-I92 PolarHBondContact O-N 3.27Å; I92-L95 HydrophobicContact CD1-CB 3.89Å; I92-L95 HydrophobicContact CD1-CD1 3.98Å; I92-L95 HydrophobicContact CD1-CG 4.39Å; I92-I116 HydrophobicContact CG2-CG2 4.13Å; I92-S118 CarbonylContact O-C 3.58Å; I92-S118 WeakPolarHBondContact O-CB 3.45Å; I92-S118 PolarHBondContact O-OG 2.73Å; I92-S118 VanDerWaalsContact O-OG 3.1Å; I92-L119 HydrophobicContact CG1-CD1 4.18Å; I92-L119 HydrophobicContact CG2-CD1 4.09Å; I92-L119 VanDerWaalsContact O-CA 3.31Å; I92-L119 WeakPolarHBondContact O-CA 3.49Å; I92-L119 PolarHBondContact O-N 3.24Å
93E97.7Very high93.5Very high62 Ų6242.5 Ų42.529%0.2923%0.226SC..  trans-103.6-31.1178.8-73.5175.1-17300112R71 N91 S118 R120 V121R71-E93 HydrophobicContact CB-CB 3.99Å; R71-E93 HydrophobicContact CB-CG 3.92Å; R71-E93 WeakPolarHBondContact CD-OE1 3.46Å; R71-E93 IonicContact CZ-OE1 3.03Å; R71-E93 IonicContact NE-OE1 3.77Å; R71-E93 IonicContact NH1-OE1 3.53Å; R71-E93 PolarHBondContact NH1-OE1 3.15Å; R71-E93 PolarHBondContact O-N 3.29Å; N91-E93 PolarHBondContact O-N 2.72Å; E93-S118 WeakPolarHBondContact CA-O 3.34Å; E93-R120 PolarHBondContact O-N 3.39Å; E93-V121 PolarHBondContact O-N 3.27Å
94S98.5Very high93.6Very high13 Ų1343.5 Ų43.59%0.09123%0.232CC..EExtended strand (participates in β ladder)trans-137.1126.4179.1-178.50000111R71 R72 V73 V121R71-S94 PolarHBondContact O-N 2.8Å; R71-S94 VanDerWaalsContact O-N 3.15Å; R72-S94 WeakPolarHBondContact CA-O 3.45Å; V73-S94 PolarHBondContact N-O 2.92Å; S94-V121 WeakPolarHBondContact CA-O 3.31Å
95L98.1Very high93.9Very high0 Ų042.1 Ų42.10%023%0.229CC..EExtended strand (participates in β ladder)trans-122.8114.4176.1179.459.5000109.4I75 L82 V85 I86 I92 L97 F112 L119 V121 L122 N123I75-L95 HydrophobicContact CG1-CD1 4.28Å; L82-L95 HydrophobicContact CD1-CD2 4.29Å; L82-L95 HydrophobicContact CD2-CD2 4.4Å; V85-L95 HydrophobicContact CG1-CD1 4.44Å; I86-L95 HydrophobicContact CD1-CD2 3.88Å; I92-L95 HydrophobicContact CD1-CB 3.89Å; I92-L95 HydrophobicContact CD1-CD1 3.98Å; I92-L95 HydrophobicContact CD1-CG 4.39Å; L95-L97 HydrophobicContact CD1-CD2 3.93Å; L95-L97 HydrophobicContact CD1-CG 4.22Å; L95-L97 HydrophobicContact CD2-CD1 4.08Å; L95-L97 HydrophobicContact CD2-CG 4.39Å; L95-L97 HydrophobicContact CG-CD1 4.21Å; L95-L97 HydrophobicContact CG-CD2 4.24Å; L95-L97 HydrophobicContact CG-CG 3.98Å; L95-F112 HydrophobicContact CD2-CZ 4.43Å; L95-L119 HydrophobicContact CB-CD1 3.89Å; L95-V121 PolarHBondContact N-O 3.45Å; L95-L122 HydrophobicContact CB-CD1 4.21Å; L95-L122 HydrophobicContact CD2-CD1 4.19Å; L95-L122 HydrophobicContact CG-CD1 4.24Å; L95-L122 WeakPolarHBondContact O-CA 3.32Å; L95-N123 PolarHBondContact O-N 3.2Å
96N98.1Very high94Very high21 Ų2147.8 Ų47.811%0.11226%0.259CS..EExtended strand (participates in β ladder)trans-109.5113.3178.4-179.6-5.1000110.1V73 Q74 I75 S98 N123V73-N96 PolarHBondContact O-N 2.9Å; Q74-N96 CarbonylContact C-O 3.33Å; Q74-N96 VanDerWaalsContact CA-O 3.28Å; Q74-N96 WeakPolarHBondContact CA-O 3.45Å; Q74-N96 HydrophobicContact CB-CB 3.98Å; Q74-N96 HydrophobicContact CG-CB 4.02Å; I75-N96 PolarHBondContact N-O 2.84Å; N96-S98 VanDerWaalsContact OD1-CB 3.29Å; N96-S98 WeakPolarHBondContact OD1-CB 3.18Å; N96-S98 PolarHBondContact OD1-N 3.1Å; N96-S98 PolarHBondContact OD1-OG 2.69Å; N96-N123 HydrophobicContact CB-CB 4.27Å
97L96.7Very high94Very high0 Ų047.7 Ų47.70%026%0.264CS..  trans-114.917178.6-57.8174000111I75 L82 L95 G99 C100 L103 L108 N123 L124 C127I75-L97 HydrophobicContact CB-CD2 3.69Å; I75-L97 HydrophobicContact CG1-CD2 3.61Å; L82-L97 HydrophobicContact CD1-CD1 4.08Å; L82-L97 HydrophobicContact CD1-CD2 3.81Å; L82-L97 HydrophobicContact CD2-CD1 3.58Å; L82-L97 HydrophobicContact CG-CD1 4.49Å; L95-L97 HydrophobicContact CD1-CD2 3.93Å; L95-L97 HydrophobicContact CD1-CG 4.22Å; L95-L97 HydrophobicContact CD2-CD1 4.08Å; L95-L97 HydrophobicContact CD2-CG 4.39Å; L95-L97 HydrophobicContact CG-CD1 4.21Å; L95-L97 HydrophobicContact CG-CD2 4.24Å; L95-L97 HydrophobicContact CG-CG 3.98Å; L97-G99 PolarHBondContact O-N 2.78Å; L97-C100 HydrophobicContact CB-CB 4.46Å; L97-C100 WeakPolarHBondContact O-CB 3.29Å; L97-C100 PolarHBondContact O-N 2.92Å; L97-C100 PolarHBondContact O-SG 3.47Å; L97-L103 HydrophobicContact CB-CD2 4.32Å; L97-L103 HydrophobicContact CD1-CD2 3.85Å; L97-L108 HydrophobicContact CD1-CD2 4.29Å; L97-N123 CarbonylContact C-O 3.5Å; L97-N123 WeakPolarHBondContact CA-O 3.41Å; L97-N123 PolarHBondContact N-O 2.97Å; L97-L124 HydrophobicContact CB-CD2 4.13Å; L97-L124 HydrophobicContact CD1-CD2 3.82Å; L97-C127 PolarHBondContact O-SG 3.22Å
98S96.5Very high94.2Very high34 Ų3440.4 Ų40.424%0.23823%0.23CC..THydrogen-bonded Turntrans-53.8134.2-178.156.40000111.9N96 C100 N123 S125N96-S98 VanDerWaalsContact OD1-CB 3.29Å; N96-S98 WeakPolarHBondContact OD1-CB 3.18Å; N96-S98 PolarHBondContact OD1-N 3.1Å; N96-S98 PolarHBondContact OD1-OG 2.69Å; S98-C100 PolarHBondContact O-N 3.33Å; S98-N123 PolarHBondContact N-O 3.19Å; S98-S125 CarbonylContact C-O 3.35Å; S98-S125 WeakPolarHBondContact CA-O 3.43Å
99G91.9Very high94.3Very high24 Ų2440.4 Ų40.425%0.24723%0.23CC..THydrogen-bonded Turntrans73.39.3-178.700000114.8L97 Y101 S125L97-G99 PolarHBondContact O-N 2.78Å; G99-Y101 WeakPolarHBondContact O-CD2 3.42Å; G99-Y101 VanDerWaalsContact O-CE2 3.31Å; G99-Y101 WeakPolarHBondContact O-CE2 3.19Å; G99-Y101 PolarHBondContact O-N 2.94Å; G99-S125 PolarHBondContact N-O 2.98Å
100C91.5Very high94.2Very high14 Ų1446 Ų4610%0.09526%0.256CS..  trans-74.372.7169.4-70.80000110.6I75 L97 S98 N102 L103I75-C100 PolarHBondContact O-SG 3.35Å; L97-C100 HydrophobicContact CB-CB 4.46Å; L97-C100 WeakPolarHBondContact O-CB 3.29Å; L97-C100 PolarHBondContact O-N 2.92Å; L97-C100 PolarHBondContact O-SG 3.47Å; S98-C100 PolarHBondContact O-N 3.33Å; C100-N102 PolarHBondContact O-N 3.01Å; C100-L103 HydrophobicContact CB-CB 4.09Å; C100-L103 WeakPolarHBondContact O-CB 3.2Å; C100-L103 PolarHBondContact O-N 2.88Å
101Y89Confident94.3Very high125 Ų12542.9 Ų42.949%0.4924%0.236SC..THydrogen-bonded Turntrans-59.8-21.6-171.8-56.8-66.9000115.6G99 L126 Q129G99-Y101 WeakPolarHBondContact O-CD2 3.42Å; G99-Y101 VanDerWaalsContact O-CE2 3.31Å; G99-Y101 WeakPolarHBondContact O-CE2 3.19Å; G99-Y101 PolarHBondContact O-N 2.94Å; Y101-L126 WeakPolarHBondContact CD1-O 3.44Å; Y101-L126 HydrophobicContact CE1-CB 3.94Å; Y101-L126 WeakPolarHBondContact CE1-O 3.43Å; Y101-Q129 WeakPolarHBondContact O-CG 3.18Å; Y101-Q129 PolarHBondContact O-NE2 3.2Å
102N88.6Confident94.4Very high138 Ų13838.2 Ų38.274%0.73821%0.211SC*.THydrogen-bonded Turntrans-92.62.7178.4-65.2-15.9000113.3C100 T104C100-N102 PolarHBondContact O-N 3.01Å; N102-T104 PolarHBondContact O-N 2.94Å
103L92.1Very high94.3Very high10 Ų1041.8 Ų41.85%0.05223%0.232CC..  trans-75.2118.5178.2-17667.3000109.9L97 C100 L108 L124 C127 Q129 I130L97-L103 HydrophobicContact CB-CD2 4.32Å; L97-L103 HydrophobicContact CD1-CD2 3.85Å; C100-L103 HydrophobicContact CB-CB 4.09Å; C100-L103 WeakPolarHBondContact O-CB 3.2Å; C100-L103 PolarHBondContact O-N 2.88Å; L103-L108 HydrophobicContact CD1-CD2 4.15Å; L103-L108 HydrophobicContact CD1-CG 4.22Å; L103-L108 HydrophobicContact CD2-CD1 4.31Å; L103-L108 HydrophobicContact CD2-CD2 3.92Å; L103-L108 HydrophobicContact CD2-CG 4.09Å; L103-L108 HydrophobicContact CG-CD2 4.36Å; L103-L108 HydrophobicContact CG-CG 4.18Å; L103-L124 HydrophobicContact CD2-CD2 3.69Å; L103-C127 HydrophobicContact CD2-CB 4.47Å; L103-Q129 WeakPolarHBondContact O-CB 3.23Å; L103-I130 HydrophobicContact CD2-CG2 4.49Å; L103-I130 HydrophobicContact CG-CG2 4.39Å
104T94.4Very high94.1Very high47 Ų4745.9 Ų45.929%0.28825%0.251SS..  trans-107.7170.6179600000111.8N102 N106 G107 L108 Q129N102-T104 PolarHBondContact O-N 2.94Å; T104-N106 PolarHBondContact O-N 2.96Å; T104-G107 PolarHBondContact O-N 3.05Å; T104-G107 PolarHBondContact OG1-N 3.45Å; T104-L108 PolarHBondContact O-N 3.39Å; T104-Q129 HydrophobicContact CG2-CB 4.22Å
105D96.1Very high93.9Very high35 Ų3551.6 Ų51.619%0.18728%0.276CS..Hα-helixtrans-56-36.8173-62.1-44.3000112.8G107 L108 G109 T131 S134D105-G107 VanDerWaalsContact C-N 3.35Å; D105-G107 PolarHBondContact O-N 3.03Å; D105-L108 PolarHBondContact O-N 3.44Å; D105-G109 PolarHBondContact O-N 2.92Å; D105-T131 VanDerWaalsContact CG-OG1 3.3Å; D105-T131 PolarHBondContact OD1-N 3.06Å; D105-T131 PolarHBondContact OD1-OG1 3.38Å; D105-T131 WeakPolarHBondContact OD2-CB 3.49Å; D105-T131 WeakPolarHBondContact OD2-CG2 3.46Å; D105-T131 PolarHBondContact OD2-OG1 3.19Å; D105-S134 WeakPolarHBondContact CA-OG 3.48Å; D105-S134 VanDerWaalsContact OD1-CB 3.26Å; D105-S134 WeakPolarHBondContact OD1-CB 3.37Å; D105-S134 PolarHBondContact OD1-N 3.42Å; D105-S134 VanDerWaalsContact OD1-N 3.15Å; D105-S134 PolarHBondContact OD1-OG 3.41Å
106N94.5Very high93.8Very high119 Ų11952.2 Ų52.264%0.63628%0.28SS*.Hα-helixtrans-64.5-40.7175.3-70.9-18.9000111.6T104 L108 G109 H110T104-N106 PolarHBondContact O-N 2.96Å; N106-L108 VanDerWaalsContact C-N 3.32Å; N106-L108 PolarHBondContact O-N 3.28Å; N106-G109 PolarHBondContact O-N 3.5Å; N106-H110 PolarHBondContact O-CD2 3.26Å; N106-H110 PolarHBondContact O-N 2.89Å
107G93Very high93.6Very high20 Ų2054.9 Ų54.921%0.20630%0.298CS..Hα-helixtrans-60.5-41.3177.400000112.7T104 D105 A111T104-G107 PolarHBondContact O-N 3.05Å; T104-G107 PolarHBondContact OG1-N 3.45Å; D105-G107 VanDerWaalsContact C-N 3.35Å; D105-G107 PolarHBondContact O-N 3.03Å; G107-A111 PolarHBondContact O-N 3.39Å
108L94.9Very high93.6Very high0 Ų056.1 Ų56.10%031%0.307CS..Hα-helixtrans-74.9-39.6174.1-71-174.7000112.3L82 L97 L103 T104 D105 N106 H110 A111 F112 L124 I130 S134 I138L82-L108 HydrophobicContact CD2-CD2 3.48Å; L82-L108 VanDerWaalsContact CD2-CD2 3.48Å; L97-L108 HydrophobicContact CD1-CD2 4.29Å; L103-L108 HydrophobicContact CD1-CD2 4.15Å; L103-L108 HydrophobicContact CD1-CG 4.22Å; L103-L108 HydrophobicContact CD2-CD1 4.31Å; L103-L108 HydrophobicContact CD2-CD2 3.92Å; L103-L108 HydrophobicContact CD2-CG 4.09Å; L103-L108 HydrophobicContact CG-CD2 4.36Å; L103-L108 HydrophobicContact CG-CG 4.18Å; T104-L108 PolarHBondContact O-N 3.39Å; D105-L108 PolarHBondContact O-N 3.44Å; N106-L108 VanDerWaalsContact C-N 3.32Å; N106-L108 PolarHBondContact O-N 3.28Å; L108-H110 VanDerWaalsContact C-N 3.32Å; L108-H110 PolarHBondContact O-N 3.02Å; L108-A111 PolarHBondContact O-N 2.8Å; L108-F112 HydrophobicContact CB-CD2 4.3Å; L108-F112 HydrophobicContact CB-CE2 4.41Å; L108-F112 HydrophobicContact CD2-CD2 4.33Å; L108-F112 HydrophobicContact CD2-CE2 3.67Å; L108-F112 HydrophobicContact CD2-CZ 4.12Å; L108-F112 HydrophobicContact CG-CE2 4.45Å; L108-F112 PolarHBondContact O-N 3.01Å; L108-L124 HydrophobicContact CD1-CD1 4Å; L108-L124 HydrophobicContact CD1-CD2 4Å; L108-L124 HydrophobicContact CD2-CD2 4.34Å; L108-I130 HydrophobicContact CD1-CG2 4.06Å; L108-S134 WeakPolarHBondContact CD1-OG 3.17Å; L108-I138 HydrophobicContact CD1-CD1 4.42Å
109G93.9Very high93.7Very high14 Ų1454.5 Ų54.514%0.14430%0.295CS..Hα-helixtrans-61.9-35.5178.500000113.4D105 N106 V113D105-G109 PolarHBondContact O-N 2.92Å; N106-G109 PolarHBondContact O-N 3.5Å; G109-V113 VanDerWaalsContact O-CG1 3.23Å; G109-V113 WeakPolarHBondContact O-CG1 3.44Å
110H92.6Very high94Very high122 Ų12257.3 Ų57.357%0.56530%0.298SS*.Hα-helixtrans-77.1-23.4173.3-68.4-52.8000113.7N106 L108N106-H110 PolarHBondContact O-CD2 3.26Å; N106-H110 PolarHBondContact O-N 2.89Å; L108-H110 VanDerWaalsContact C-N 3.32Å; L108-H110 PolarHBondContact O-N 3.02Å
111A93.3Very high94.4Very high5 Ų558.8 Ų58.84%0.04131%0.307CS..Hα-helixtrans-85.3-38.1179.200000112.5L82 I86 G107 L108L82-A111 HydrophobicContact CB-CB 3.77Å; L82-A111 HydrophobicContact CD2-CB 3.73Å; L82-A111 HydrophobicContact CG-CB 3.73Å; I86-A111 HydrophobicContact CG1-CB 4.23Å; G107-A111 PolarHBondContact O-N 3.39Å; L108-A111 PolarHBondContact O-N 2.8Å
112F94.8Very high94.8Very high0 Ų052.9 Ų52.90%028%0.284CS..  trans-104.475.5-178.3-55.3-33.3000109.9L82 I86 L95 L108 I116 L122 I138 Y141 L142L82-F112 HydrophobicContact CD2-CZ 4.49Å; I86-F112 HydrophobicContact CD1-CE1 4.06Å; I86-F112 HydrophobicContact CG1-CE1 4.32Å; L95-F112 HydrophobicContact CD2-CZ 4.43Å; L108-F112 HydrophobicContact CB-CD2 4.3Å; L108-F112 HydrophobicContact CB-CE2 4.41Å; L108-F112 HydrophobicContact CD2-CD2 4.33Å; L108-F112 HydrophobicContact CD2-CE2 3.67Å; L108-F112 HydrophobicContact CD2-CZ 4.12Å; L108-F112 HydrophobicContact CG-CE2 4.45Å; L108-F112 PolarHBondContact O-N 3.01Å; F112-I116 HydrophobicContact CD1-CD1 3.69Å; F112-I116 HydrophobicContact CE1-CD1 3.93Å; F112-L122 HydrophobicContact CE2-CD2 4.22Å; F112-L122 HydrophobicContact CZ-CD1 4.45Å; F112-L122 HydrophobicContact CZ-CD2 4.29Å; F112-I138 HydrophobicContact CD2-CG1 4.02Å; F112-I138 HydrophobicContact CE2-CG1 3.9Å; F112-Y141 HydrophobicContact CB-CD2 4.35Å; F112-Y141 WeakPolarHBondContact O-CD2 3.04Å; F112-Y141 WeakPolarHBondContact O-CE2 3.38Å; F112-L142 HydrophobicContact CD1-CD2 4.31Å; F112-L142 HydrophobicContact CD2-CD1 4.25Å; F112-L142 HydrophobicContact CE1-CD1 4.35Å; F112-L142 HydrophobicContact CE2-CD1 3.96Å; F112-L142 HydrophobicContact CZ-CD1 4.03Å
113V94.1Very high95.3Very high75 Ų7547.7 Ų47.746%0.45526%0.256SS..SBendtrans-106.3-11.6178.1-65.70000113G109 Y141G109-V113 VanDerWaalsContact O-CG1 3.23Å; G109-V113 WeakPolarHBondContact O-CG1 3.44Å; V113-Y141 WeakPolarHBondContact O-CE1 3.37Å; V113-Y141 PolarHBondContact O-OH 2.92Å
114Q93.6Very high95.6Very high147 Ų14747.2 Ų47.269%0.68725%0.254SS*.SBendtrans-144.3160.8-178.8-69.6177.9-4.500109.2Y141Q114-Y141 VanDerWaalsContact C-CD1 3.49Å
115E94.9Very high95.8Very high133 Ų13345.8 Ų45.862%0.62125%0.245SC*.  trans-62.4138.4177.8-65.9-172.2-179.500112P117 Y141E115-P117 WeakPolarHBondContact O-CD 3.44Å; E115-Y141 WeakPolarHBondContact CA-O 3.27Å; E115-Y141 HydrophobicContact CG-CD1 4.41Å
116I95Very high95.8Very high13 Ų1346.9 Ų46.97%0.06725%0.251CS..  trans-118.781176.3-49176.8000107.8I86 I92 F112 S118 L119 Y141 L142I86-I116 HydrophobicContact CD1-CD1 4.09Å; I86-I116 HydrophobicContact CG1-CD1 4.37Å; I86-I116 HydrophobicContact CG2-CD1 3.54Å; I86-I116 HydrophobicContact CG2-CG1 4.31Å; I92-I116 HydrophobicContact CG2-CG2 4.13Å; F112-I116 HydrophobicContact CD1-CD1 3.69Å; F112-I116 HydrophobicContact CE1-CD1 3.93Å; I116-S118 PolarHBondContact O-N 3.3Å; I116-S118 VanDerWaalsContact O-N 3.16Å; I116-L119 HydrophobicContact CB-CB 4.3Å; I116-L119 HydrophobicContact CG2-CB 3.82Å; I116-L119 PolarHBondContact O-N 2.91Å; I116-Y141 PolarHBondContact N-O 3.03Å; I116-L142 HydrophobicContact CB-CD2 3.9Å; I116-L142 HydrophobicContact CD1-CD2 3.91Å; I116-L142 HydrophobicContact CG1-CD2 4.01Å
117P95Very high95.8Very high78 Ų7841.2 Ų41.251%0.50622%0.221SC..THydrogen-bonded Turntrans-67.9-19.6-169.627-35.7000113.3E115 N144E115-P117 WeakPolarHBondContact O-CD 3.44Å; P117-N144 PolarHBondContact O-ND2 3Å
118S96.6Very high95.7Very high25 Ų2545.7 Ų45.718%0.17524%0.235CC..THydrogen-bonded Turntrans-75.5-28177.946.90000113P90 I92 E93 I116 R120P90-S118 PolarHBondContact O-OG 2.95Å; I92-S118 CarbonylContact O-C 3.58Å; I92-S118 WeakPolarHBondContact O-CB 3.45Å; I92-S118 PolarHBondContact O-OG 2.73Å; I92-S118 VanDerWaalsContact O-OG 3.1Å; E93-S118 WeakPolarHBondContact CA-O 3.34Å; I116-S118 PolarHBondContact O-N 3.3Å; I116-S118 VanDerWaalsContact O-N 3.16Å; S118-R120 PolarHBondContact O-N 2.96Å
119L98.1Very high95.7Very high0 Ų050 Ų500%026%0.255CS..  trans-75.7122.9-170.9-167.775.6000111.6I92 L95 I116 L122 L142 L145I92-L119 HydrophobicContact CG1-CD1 4.18Å; I92-L119 HydrophobicContact CG2-CD1 4.09Å; I92-L119 VanDerWaalsContact O-CA 3.31Å; I92-L119 WeakPolarHBondContact O-CA 3.49Å; I92-L119 PolarHBondContact O-N 3.24Å; L95-L119 HydrophobicContact CB-CD1 3.89Å; I116-L119 HydrophobicContact CB-CB 4.3Å; I116-L119 HydrophobicContact CG2-CB 3.82Å; I116-L119 PolarHBondContact O-N 2.91Å; L119-L122 HydrophobicContact CD2-CB 4.49Å; L119-L142 HydrophobicContact CD2-CD1 3.85Å; L119-L142 HydrophobicContact CD2-CD2 4.07Å; L119-L142 HydrophobicContact CD2-CG 4.48Å; L119-L145 HydrophobicContact CD2-CD1 4.29Å; L119-L145 HydrophobicContact CG-CD1 4.3Å
120R98.4Very high95.8Very high83 Ų8349.3 Ų49.331%0.31325%0.248SC..  trans-114.6-29.8-179.3-57.1-56.5-180142.6-8.5113E93 S118 N144 E146 V147E93-R120 PolarHBondContact O-N 3.39Å; S118-R120 PolarHBondContact O-N 2.96Å; R120-N144 WeakPolarHBondContact CD-O 3.5Å; R120-E146 IonicContact CZ-OE1 3.99Å; R120-E146 IonicContact NE-OE1 3.46Å; R120-E146 IonicContact NH1-OE1 3.24Å; R120-E146 PolarHBondContact NH1-OE1 3.27Å; R120-E146 PolarHBondContact O-N 3.42Å; R120-V147 PolarHBondContact O-N 3.47Å
121V98.8Very high96.1Very high46 Ų4645.4 Ų45.428%0.27923%0.233SC..EExtended strand (participates in β ladder)trans-127.2123.1-175.2-179.10000109.7E93 S94 L95 V147E93-V121 PolarHBondContact O-N 3.27Å; S94-V121 WeakPolarHBondContact CA-O 3.31Å; L95-V121 PolarHBondContact N-O 3.45Å; V121-V147 WeakPolarHBondContact CA-O 2.79Å; V121-V147 HydrophobicContact CB-CB 4.3Å; V121-V147 HydrophobicContact CG1-CB 4.05Å; V121-V147 HydrophobicContact CG1-CG1 4.12Å; V121-V147 HydrophobicContact CG2-CB 4.02Å; V121-V147 HydrophobicContact CG2-CG2 4.11Å
122L98.8Very high96.3Very high0 Ų046.2 Ų46.20%024%0.236CC..EExtended strand (participates in β ladder)trans-126.8120174.4178.359.4000109.2L95 F112 L119 L124 I138 L142 L145 V147 L148 E149L95-L122 HydrophobicContact CB-CD1 4.21Å; L95-L122 HydrophobicContact CD2-CD1 4.19Å; L95-L122 HydrophobicContact CG-CD1 4.24Å; L95-L122 WeakPolarHBondContact O-CA 3.32Å; F112-L122 HydrophobicContact CE2-CD2 4.22Å; F112-L122 HydrophobicContact CZ-CD1 4.45Å; F112-L122 HydrophobicContact CZ-CD2 4.29Å; L119-L122 HydrophobicContact CD2-CB 4.49Å; L122-L124 HydrophobicContact CD1-CD2 4.35Å; L122-L124 HydrophobicContact CD1-CG 4.15Å; L122-L124 HydrophobicContact CD2-CD1 3.87Å; L122-L124 HydrophobicContact CD2-CG 4.33Å; L122-L124 HydrophobicContact CG-CD1 4.07Å; L122-L124 HydrophobicContact CG-CG 4Å; L122-I138 HydrophobicContact CD2-CD1 3.82Å; L122-I138 HydrophobicContact CD2-CG1 3.96Å; L122-I138 HydrophobicContact CD2-CG2 4.43Å; L122-L142 HydrophobicContact CD2-CD1 3.74Å; L122-L145 HydrophobicContact CB-CD1 3.75Å; L122-L145 HydrophobicContact CB-CD2 4.16Å; L122-V147 PolarHBondContact N-O 2.95Å; L122-L148 HydrophobicContact CB-CD1 4.28Å; L122-L148 HydrophobicContact CD2-CD1 4.25Å; L122-L148 HydrophobicContact CG-CD1 4.27Å; L122-L148 WeakPolarHBondContact O-CA 3.15Å; L122-E149 PolarHBondContact O-N 3.44Å
123N98.7Very high96.5Very high30 Ų3050 Ų5016%0.1626%0.262CS..EExtended strand (participates in β ladder)trans-112115.8174.8-173-15.1000110.7L95 N96 L97 S98 S125 E149L95-N123 PolarHBondContact O-N 3.2Å; N96-N123 HydrophobicContact CB-CB 4.27Å; L97-N123 CarbonylContact C-O 3.5Å; L97-N123 WeakPolarHBondContact CA-O 3.41Å; L97-N123 PolarHBondContact N-O 2.97Å; S98-N123 PolarHBondContact N-O 3.19Å; N123-S125 WeakPolarHBondContact OD1-CB 3.44Å; N123-S125 PolarHBondContact OD1-N 3.02Å; N123-S125 PolarHBondContact OD1-OG 3.03Å; N123-E149 HydrophobicContact CB-CB 3.98Å; N123-E149 HydrophobicContact CB-CG 4.22Å; N123-E149 WeakPolarHBondContact OD1-CB 3.43Å
124L97.9Very high96.6Very high0 Ų046.4 Ų46.40%024%0.241CC..  trans-117.815.7178.2-68168.9000111.4L97 L103 L108 L122 L126 C127 I130 I138 E149 L150 C153L97-L124 HydrophobicContact CB-CD2 4.13Å; L97-L124 HydrophobicContact CD1-CD2 3.82Å; L103-L124 HydrophobicContact CD2-CD2 3.69Å; L108-L124 HydrophobicContact CD1-CD1 4Å; L108-L124 HydrophobicContact CD1-CD2 4Å; L108-L124 HydrophobicContact CD2-CD2 4.34Å; L122-L124 HydrophobicContact CD1-CD2 4.35Å; L122-L124 HydrophobicContact CD1-CG 4.15Å; L122-L124 HydrophobicContact CD2-CD1 3.87Å; L122-L124 HydrophobicContact CD2-CG 4.33Å; L122-L124 HydrophobicContact CG-CD1 4.07Å; L122-L124 HydrophobicContact CG-CG 4Å; L124-L126 PolarHBondContact O-N 2.83Å; L124-C127 WeakPolarHBondContact O-CB 3.48Å; L124-C127 PolarHBondContact O-N 3.36Å; L124-C127 PolarHBondContact O-SG 3.14Å; L124-C127 VanDerWaalsContact O-SG 3.32Å; L124-I130 HydrophobicContact CB-CD1 3.87Å; L124-I130 HydrophobicContact CD1-CD1 3.97Å; L124-I130 HydrophobicContact CG-CD1 4.4Å; L124-I138 HydrophobicContact CD1-CD1 3.58Å; L124-E149 CarbonylContact C-O 3.17Å; L124-E149 WeakPolarHBondContact CA-O 3.41Å; L124-E149 PolarHBondContact N-O 2.88Å; L124-L150 HydrophobicContact CB-CD2 4.08Å; L124-L150 HydrophobicContact CD1-CD2 4.17Å; L124-C153 PolarHBondContact O-SG 2.93Å
125S98.1Very high96.8Very high16 Ų1639.4 Ų39.411%0.11221%0.208CC..THydrogen-bonded Turntrans-54.1137.4-177.7-60.30000111.1S98 G99 N123 C127 E149 G151S98-S125 CarbonylContact C-O 3.35Å; S98-S125 WeakPolarHBondContact CA-O 3.43Å; G99-S125 PolarHBondContact N-O 2.98Å; N123-S125 WeakPolarHBondContact OD1-CB 3.44Å; N123-S125 PolarHBondContact OD1-N 3.02Å; N123-S125 PolarHBondContact OD1-OG 3.03Å; S125-C127 PolarHBondContact O-N 3.15Å; S125-E149 PolarHBondContact N-O 3.05Å; S125-G151 CarbonylContact C-O 3.38Å; S125-G151 VanDerWaalsContact CA-O 3.22Å; S125-G151 WeakPolarHBondContact CA-O 3.31Å; S125-G151 WeakPolarHBondContact CB-O 3.45Å; S125-G151 PolarHBondContact OG-N 3.4Å
126L96.3Very high97Very high59 Ų5934 Ų3431%0.30919%0.188SC..THydrogen-bonded Turntrans64.110.4-178.7-50.3171.1000114.9Y101 L124 K128 G151Y101-L126 WeakPolarHBondContact CD1-O 3.44Å; Y101-L126 HydrophobicContact CE1-CB 3.94Å; Y101-L126 WeakPolarHBondContact CE1-O 3.43Å; L124-L126 PolarHBondContact O-N 2.83Å; L126-K128 PolarHBondContact O-N 3.18Å; L126-G151 PolarHBondContact N-O 3.36Å
127C94.9Very high97.1Very high0 Ų038.5 Ų38.50%020%0.204CC..  trans-76.474.2168.4-65.80000110.1L97 L103 L124 S125 Q129 I130L97-C127 PolarHBondContact O-SG 3.22Å; L103-C127 HydrophobicContact CD2-CB 4.47Å; L124-C127 WeakPolarHBondContact O-CB 3.48Å; L124-C127 PolarHBondContact O-N 3.36Å; L124-C127 PolarHBondContact O-SG 3.14Å; L124-C127 VanDerWaalsContact O-SG 3.32Å; S125-C127 PolarHBondContact O-N 3.15Å; C127-Q129 PolarHBondContact O-N 3.16Å; C127-I130 HydrophobicContact CB-CD1 4.2Å; C127-I130 HydrophobicContact CB-CG1 4.5Å; C127-I130 HydrophobicContact CB-CG2 4Å; C127-I130 WeakPolarHBondContact O-CG1 3.2Å; C127-I130 PolarHBondContact O-N 2.9Å
128K91.8Very high97.2Very high113 Ų11334.8 Ų34.849%0.49118%0.18SC..THydrogen-bonded Turntrans-62-15.5-167.9-64-176.6179.3-178.80116L126 N155L126-K128 PolarHBondContact O-N 3.18Å; K128-N155 PolarHBondContact O-ND2 3.43Å; K128-N155 VanDerWaalsContact O-ND2 3.15Å
129Q94.3Very high97.2Very high90 Ų9033.6 Ų33.642%0.42117%0.172SC..THydrogen-bonded Turntrans-95.2-4.6-177.5-60.4-174.330.300113.9Y101 L103 T104 C127Y101-Q129 WeakPolarHBondContact O-CG 3.18Å; Y101-Q129 PolarHBondContact O-NE2 3.2Å; L103-Q129 WeakPolarHBondContact O-CB 3.23Å; T104-Q129 HydrophobicContact CG2-CB 4.22Å; C127-Q129 PolarHBondContact O-N 3.16Å
130I96.1Very high97.2Very high0 Ų037.5 Ų37.50%019%0.19CC..  trans-78.8145.817576.3-177.2000110.2L103 L108 L124 C127 L150 C153 I156L103-I130 HydrophobicContact CD2-CG2 4.49Å; L103-I130 HydrophobicContact CG-CG2 4.39Å; L108-I130 HydrophobicContact CD1-CG2 4.06Å; L124-I130 HydrophobicContact CB-CD1 3.87Å; L124-I130 HydrophobicContact CD1-CD1 3.97Å; L124-I130 HydrophobicContact CG-CD1 4.4Å; C127-I130 HydrophobicContact CB-CD1 4.2Å; C127-I130 HydrophobicContact CB-CG1 4.5Å; C127-I130 HydrophobicContact CB-CG2 4Å; C127-I130 WeakPolarHBondContact O-CG1 3.2Å; C127-I130 PolarHBondContact O-N 2.9Å; I130-L150 HydrophobicContact CD1-CD2 4.1Å; I130-C153 HydrophobicContact CD1-CB 4.33Å; I130-C153 HydrophobicContact CG1-CB 4.31Å; I130-I156 HydrophobicContact CG1-CD1 4.25Å
131T97.9Very high97.1Very high40 Ų4035.6 Ų35.625%0.24518%0.183CC..  trans-125.2-173.5178.275.20000110.7D105 S133 S134 N155 I156D105-T131 VanDerWaalsContact CG-OG1 3.3Å; D105-T131 PolarHBondContact OD1-N 3.06Å; D105-T131 PolarHBondContact OD1-OG1 3.38Å; D105-T131 WeakPolarHBondContact OD2-CB 3.49Å; D105-T131 WeakPolarHBondContact OD2-CG2 3.46Å; D105-T131 PolarHBondContact OD2-OG1 3.19Å; T131-S133 PolarHBondContact O-N 2.85Å; T131-S133 VanDerWaalsContact O-N 3.11Å; T131-S133 PolarHBondContact OG1-N 2.78Å; T131-S134 WeakPolarHBondContact O-CB 3.22Å; T131-S134 PolarHBondContact O-N 2.89Å; T131-N155 HydrophobicContact CG2-CB 4.14Å; T131-I156 VanDerWaalsContact C-CD1 3.48Å
132D98.3Very high97Very high22 Ų2233.4 Ų33.412%0.11817%0.17CC..Hα-helixtrans-57.5-23174.1-59.3-27000112.8S134 L135 G136 I156 T157 T159 G160 L163D132-S134 VanDerWaalsContact C-N 3.35Å; D132-S134 PolarHBondContact O-N 2.98Å; D132-L135 PolarHBondContact O-N 3.2Å; D132-L135 VanDerWaalsContact O-N 3.16Å; D132-G136 PolarHBondContact O-N 3.3Å; D132-I156 WeakPolarHBondContact OD1-CA 3.4Å; D132-T157 PolarHBondContact OD1-N 3.25Å; D132-T157 WeakPolarHBondContact OD2-CB 3.25Å; D132-T157 PolarHBondContact OD2-OG1 3.35Å; D132-T159 HydrophobicContact CB-CG2 4.41Å; D132-T159 WeakPolarHBondContact OD2-CB 3.37Å; D132-G160 WeakPolarHBondContact OD1-CA 3.36Å; D132-G160 PolarHBondContact OD1-N 2.96Å; D132-G160 VanDerWaalsContact OD1-N 3.17Å; D132-G160 PolarHBondContact OD2-N 2.94Å; D132-L163 WeakPolarHBondContact O-CD1 3.46Å
133S98Very high96.9Very high79 Ų7937 Ų3755%0.55219%0.185SC*.Hα-helixtrans-61.2-40.3173-71.40000112.8T131 L135 G136 R137T131-S133 PolarHBondContact O-N 2.85Å; T131-S133 VanDerWaalsContact O-N 3.11Å; T131-S133 PolarHBondContact OG1-N 2.78Å; S133-L135 VanDerWaalsContact C-N 3.34Å; S133-G136 PolarHBondContact O-N 2.82Å; S133-R137 PolarHBondContact O-N 3.08Å
134S97.6Very high96.8Very high0 Ų037 Ų370%019%0.185CC..Hα-helixtrans-62.2-42.7172.1-75.10000112D105 L108 T131 D132 G136 R137 I138D105-S134 WeakPolarHBondContact CA-OG 3.48Å; D105-S134 VanDerWaalsContact OD1-CB 3.26Å; D105-S134 WeakPolarHBondContact OD1-CB 3.37Å; D105-S134 PolarHBondContact OD1-N 3.42Å; D105-S134 VanDerWaalsContact OD1-N 3.15Å; D105-S134 PolarHBondContact OD1-OG 3.41Å; L108-S134 WeakPolarHBondContact CD1-OG 3.17Å; T131-S134 WeakPolarHBondContact O-CB 3.22Å; T131-S134 PolarHBondContact O-N 2.89Å; D132-S134 VanDerWaalsContact C-N 3.35Å; D132-S134 PolarHBondContact O-N 2.98Å; S134-G136 VanDerWaalsContact C-N 3.27Å; S134-G136 PolarHBondContact O-N 3.32Å; S134-R137 PolarHBondContact O-N 3.04Å; S134-I138 WeakPolarHBondContact O-CD1 3.13Å; S134-I138 WeakPolarHBondContact O-CG1 3.38Å; S134-I138 PolarHBondContact O-N 3.01Å
135L98.1Very high96.8Very high0 Ų037 Ų370%019%0.185CC..Hα-helixtrans-65-32.9178.9-64.7-176.7000112D132 S133 I138 A139 L148 L150 I156 I164D132-L135 PolarHBondContact O-N 3.2Å; D132-L135 VanDerWaalsContact O-N 3.16Å; S133-L135 VanDerWaalsContact C-N 3.34Å; L135-I138 HydrophobicContact CD2-CD1 4.07Å; L135-I138 PolarHBondContact O-N 2.5Å; L135-A139 WeakPolarHBondContact O-CB 3.09Å; L135-A139 PolarHBondContact O-N 2.84Å; L135-L148 HydrophobicContact CD2-CD2 4.43Å; L135-L150 HydrophobicContact CD1-CD1 4.3Å; L135-L150 HydrophobicContact CD2-CD1 3.87Å; L135-L150 HydrophobicContact CD2-CD2 3.99Å; L135-I156 HydrophobicContact CD1-CD1 3.67Å; L135-I156 HydrophobicContact CD1-CG1 4.22Å; L135-I156 HydrophobicContact CD1-CG2 3.6Å; L135-I156 HydrophobicContact CG-CD1 3.93Å; L135-I164 HydrophobicContact CD1-CD1 3.9Å; L135-I164 HydrophobicContact CD1-CG1 4.4Å; L135-I164 HydrophobicContact CD2-CD1 4.2Å; L135-I164 HydrophobicContact CD2-CG1 4.48Å
136G97.8Very high96.9Very high19 Ų1938.5 Ų38.520%0.19619%0.191CC..Hα-helixtrans-59-46.4171.100000112.5D132 S133 S134 A139 Q140D132-G136 PolarHBondContact O-N 3.3Å; S133-G136 PolarHBondContact O-N 2.82Å; S134-G136 VanDerWaalsContact C-N 3.27Å; S134-G136 PolarHBondContact O-N 3.32Å; G136-A139 PolarHBondContact O-N 3.48Å; G136-Q140 VanDerWaalsContact O-CB 3.28Å; G136-Q140 WeakPolarHBondContact O-CB 3.35Å; G136-Q140 PolarHBondContact O-N 3.15Å
137R97.3Very high97Very high108 Ų10837.4 Ų37.441%0.40819%0.186SC..Hα-helixtrans-65-42.7176.5-62.7-65.3-176.5171.21.9112.1S133 S134 Q140 Y141S133-R137 PolarHBondContact O-N 3.08Å; S134-R137 PolarHBondContact O-N 3.04Å; R137-Q140 PolarHBondContact O-N 3.13Å; R137-Y141 VanDerWaalsContact O-CD2 3.32Å; R137-Y141 WeakPolarHBondContact O-CD2 3.41Å; R137-Y141 PolarHBondContact O-N 3.21Å
138I97.9Very high97.2Very high0 Ų037.4 Ų37.40%019%0.186CC..Hα-helixtrans-61.1-50.3177-71.9161000110.5L108 F112 L122 L124 S134 L135 Q140 Y141 L142 L145 L168L108-I138 HydrophobicContact CD1-CD1 4.42Å; F112-I138 HydrophobicContact CD2-CG1 4.02Å; F112-I138 HydrophobicContact CE2-CG1 3.9Å; L122-I138 HydrophobicContact CD2-CD1 3.82Å; L122-I138 HydrophobicContact CD2-CG1 3.96Å; L122-I138 HydrophobicContact CD2-CG2 4.43Å; L124-I138 HydrophobicContact CD1-CD1 3.58Å; S134-I138 WeakPolarHBondContact O-CD1 3.13Å; S134-I138 WeakPolarHBondContact O-CG1 3.38Å; S134-I138 PolarHBondContact O-N 3.01Å; L135-I138 HydrophobicContact CD2-CD1 4.07Å; L135-I138 PolarHBondContact O-N 2.5Å; I138-Q140 VanDerWaalsContact C-N 3.25Å; I138-Q140 PolarHBondContact O-N 2.75Å; I138-Y141 PolarHBondContact O-N 3.29Å; I138-L142 HydrophobicContact CB-CD1 4.19Å; I138-L142 HydrophobicContact CG1-CD1 3.98Å; I138-L142 HydrophobicContact CG2-CB 4.42Å; I138-L142 HydrophobicContact CG2-CD1 3.91Å; I138-L142 HydrophobicContact CG2-CG 4.44Å; I138-L142 WeakPolarHBondContact O-CA 3.38Å; I138-L142 VanDerWaalsContact O-CB 3.31Å; I138-L142 WeakPolarHBondContact O-CB 3.42Å; I138-L142 PolarHBondContact O-N 3.38Å; I138-L145 HydrophobicContact CG2-CD2 4.29Å; I138-L168 HydrophobicContact CG2-CD1 4.08Å
139A97.1Very high97.5Very high0 Ų033.9 Ų33.90%017%0.172CC..Hα-helixtrans-61.4-34.5177.700000112.2L135 G136 K143 L163L135-A139 WeakPolarHBondContact O-CB 3.09Å; L135-A139 PolarHBondContact O-N 2.84Å; G136-A139 PolarHBondContact O-N 3.48Å; A139-K143 WeakPolarHBondContact O-CE 3.43Å; A139-K143 PolarHBondContact O-NZ 3.39Å; A139-L163 HydrophobicContact CB-CB 4.42Å; A139-L163 WeakPolarHBondContact CB-O 3.08Å
140Q96.8Very high97.7Very high82 Ų8229.6 Ų29.638%0.38315%0.152SC..Hα-helixtrans-70.7-42.7178.6-174.2176.17.600113G136 R137 I138 K143G136-Q140 VanDerWaalsContact O-CB 3.28Å; G136-Q140 WeakPolarHBondContact O-CB 3.35Å; G136-Q140 PolarHBondContact O-N 3.15Å; R137-Q140 PolarHBondContact O-N 3.13Å; I138-Q140 VanDerWaalsContact C-N 3.25Å; I138-Q140 PolarHBondContact O-N 2.75Å; Q140-K143 WeakPolarHBondContact O-CE 3.39Å
141Y96.9Very high97.8Very high43 Ų4329.7 Ų29.717%0.16915%0.152CC..Hα-helixtrans-112-18.7-167.9-64.2-68.5000115.4F112 V113 Q114 E115 I116 R137 I138 K143F112-Y141 HydrophobicContact CB-CD2 4.35Å; F112-Y141 WeakPolarHBondContact O-CD2 3.04Å; F112-Y141 WeakPolarHBondContact O-CE2 3.38Å; V113-Y141 WeakPolarHBondContact O-CE1 3.37Å; V113-Y141 PolarHBondContact O-OH 2.92Å; Q114-Y141 VanDerWaalsContact C-CD1 3.49Å; E115-Y141 WeakPolarHBondContact CA-O 3.27Å; E115-Y141 HydrophobicContact CG-CD1 4.41Å; I116-Y141 PolarHBondContact N-O 3.03Å; R137-Y141 VanDerWaalsContact O-CD2 3.32Å; R137-Y141 WeakPolarHBondContact O-CD2 3.41Å; R137-Y141 PolarHBondContact O-N 3.21Å; I138-Y141 PolarHBondContact O-N 3.29Å; Y141-K143 PolarHBondContact O-N 3.15Å
142L97Very high97.7Very high0 Ų028.3 Ų28.30%015%0.146CC..  trans-105.153.4-172.7-48.3-176.9000111.7F112 I116 L119 L122 I138 N144 L145 L168F112-L142 HydrophobicContact CD1-CD2 4.31Å; F112-L142 HydrophobicContact CD2-CD1 4.25Å; F112-L142 HydrophobicContact CE1-CD1 4.35Å; F112-L142 HydrophobicContact CE2-CD1 3.96Å; F112-L142 HydrophobicContact CZ-CD1 4.03Å; I116-L142 HydrophobicContact CB-CD2 3.9Å; I116-L142 HydrophobicContact CD1-CD2 3.91Å; I116-L142 HydrophobicContact CG1-CD2 4.01Å; L119-L142 HydrophobicContact CD2-CD1 3.85Å; L119-L142 HydrophobicContact CD2-CD2 4.07Å; L119-L142 HydrophobicContact CD2-CG 4.48Å; L122-L142 HydrophobicContact CD2-CD1 3.74Å; I138-L142 HydrophobicContact CB-CD1 4.19Å; I138-L142 HydrophobicContact CG1-CD1 3.98Å; I138-L142 HydrophobicContact CG2-CB 4.42Å; I138-L142 HydrophobicContact CG2-CD1 3.91Å; I138-L142 HydrophobicContact CG2-CG 4.44Å; I138-L142 WeakPolarHBondContact O-CA 3.38Å; I138-L142 VanDerWaalsContact O-CB 3.31Å; I138-L142 WeakPolarHBondContact O-CB 3.42Å; I138-L142 PolarHBondContact O-N 3.38Å; L142-N144 PolarHBondContact O-N 2.6Å; L142-N144 VanDerWaalsContact O-N 3.08Å; L142-L145 HydrophobicContact CB-CB 4.43Å; L142-L145 VanDerWaalsContact O-CB 3.31Å; L142-L145 WeakPolarHBondContact O-CB 3.45Å; L142-L145 PolarHBondContact O-N 3.23Å; L142-L145 VanDerWaalsContact O-N 3.09Å; L142-L168 VanDerWaalsContact O-CD2 3.31Å; L142-L168 WeakPolarHBondContact O-CD2 3.33Å
143K96Very high97.7Very high76 Ų7627.2 Ų27.233%0.3314%0.14SC..THydrogen-bonded Turntrans-62.2-19.7-171.7-58.8-55.8-166.4-178.30115.4A139 Q140 Y141 G167A139-K143 WeakPolarHBondContact O-CE 3.43Å; A139-K143 PolarHBondContact O-NZ 3.39Å; Q140-K143 WeakPolarHBondContact O-CE 3.39Å; Y141-K143 PolarHBondContact O-N 3.15Å; K143-G167 WeakPolarHBondContact CD-O 3.47Å
144N97.4Very high97.4Very high29 Ų2925.4 Ų25.416%0.15513%0.127CC..THydrogen-bonded Turntrans-97.69179.8-72.6-34.8000113.9P117 R120 L142 E146 R170P117-N144 PolarHBondContact O-ND2 3Å; R120-N144 WeakPolarHBondContact CD-O 3.5Å; L142-N144 PolarHBondContact O-N 2.6Å; L142-N144 VanDerWaalsContact O-N 3.08Å; N144-E146 PolarHBondContact O-N 3.47Å; N144-R170 WeakPolarHBondContact OD1-CD 3.42Å; N144-R170 PolarHBondContact OD1-NH1 2.84Å
145L98.4Very high97.3Very high0 Ų028.7 Ų28.70%015%0.145CC..  trans-65.1128.6-178.3-157.373.9000111.2L119 L122 I138 L142 L148 L168 R170 L171L119-L145 HydrophobicContact CD2-CD1 4.29Å; L119-L145 HydrophobicContact CG-CD1 4.3Å; L122-L145 HydrophobicContact CB-CD1 3.75Å; L122-L145 HydrophobicContact CB-CD2 4.16Å; I138-L145 HydrophobicContact CG2-CD2 4.29Å; L142-L145 HydrophobicContact CB-CB 4.43Å; L142-L145 VanDerWaalsContact O-CB 3.31Å; L142-L145 WeakPolarHBondContact O-CB 3.45Å; L142-L145 PolarHBondContact O-N 3.23Å; L142-L145 VanDerWaalsContact O-N 3.09Å; L145-L148 HydrophobicContact CD2-CB 3.83Å; L145-L148 HydrophobicContact CD2-CD1 4.06Å; L145-L148 HydrophobicContact CD2-CD2 4.31Å; L145-L148 HydrophobicContact CD2-CG 4.28Å; L145-L168 HydrophobicContact CB-CD2 4.33Å; L145-L168 HydrophobicContact CD2-CD1 4.2Å; L145-R170 CarbonylContact O-C 3.56Å; L145-R170 VanDerWaalsContact O-C 3.31Å; L145-L171 HydrophobicContact CD2-CD1 4.45Å; L145-L171 WeakPolarHBondContact O-CA 3.28Å; L145-L171 PolarHBondContact O-N 3.35Å
146E98.8Very high97.3Very high49 Ų4928.7 Ų28.723%0.22915%0.145CC..  trans-108.8-28.8179.4-65.7-176.4-148.100111.7R120 N144 K172 S173R120-E146 IonicContact CZ-OE1 3.99Å; R120-E146 IonicContact NE-OE1 3.46Å; R120-E146 IonicContact NH1-OE1 3.24Å; R120-E146 PolarHBondContact NH1-OE1 3.27Å; R120-E146 PolarHBondContact O-N 3.42Å; N144-E146 PolarHBondContact O-N 3.47Å; E146-K172 WeakPolarHBondContact O-CA 3.47Å; E146-K172 PolarHBondContact O-N 3.08Å; E146-K172 IonicContact OE2-NZ 3.81Å; E146-K172 PolarHBondContact OE2-NZ 3.36Å; E146-S173 PolarHBondContact O-N 3.22Å
147V98.9Very high97.4Very high36 Ų3629.9 Ų29.922%0.21815%0.148CC..EExtended strand (participates in β ladder)trans-131.5124.1-179.9-178.90000110R120 V121 L122 E149 S173R120-V147 PolarHBondContact O-N 3.47Å; V121-V147 WeakPolarHBondContact CA-O 2.79Å; V121-V147 HydrophobicContact CB-CB 4.3Å; V121-V147 HydrophobicContact CG1-CB 4.05Å; V121-V147 HydrophobicContact CG1-CG1 4.12Å; V121-V147 HydrophobicContact CG2-CB 4.02Å; V121-V147 HydrophobicContact CG2-CG2 4.11Å; L122-V147 PolarHBondContact N-O 2.95Å; V147-E149 HydrophobicContact CG1-CG 4.22Å; V147-S173 WeakPolarHBondContact CA-O 3.46Å
148L98.9Very high97.4Very high0 Ų026.2 Ų26.20%014%0.137CC..EExtended strand (participates in β ladder)trans-127.3115.1175.4-179.354.3000110.2L122 L135 L145 L150 I164 L168 L171 S173 L174 N175L122-L148 HydrophobicContact CB-CD1 4.28Å; L122-L148 HydrophobicContact CD2-CD1 4.25Å; L122-L148 HydrophobicContact CG-CD1 4.27Å; L122-L148 WeakPolarHBondContact O-CA 3.15Å; L135-L148 HydrophobicContact CD2-CD2 4.43Å; L145-L148 HydrophobicContact CD2-CB 3.83Å; L145-L148 HydrophobicContact CD2-CD1 4.06Å; L145-L148 HydrophobicContact CD2-CD2 4.31Å; L145-L148 HydrophobicContact CD2-CG 4.28Å; L148-L150 HydrophobicContact CD1-CD2 4.15Å; L148-L150 HydrophobicContact CD1-CG 4.15Å; L148-L150 HydrophobicContact CD2-CD1 3.97Å; L148-L150 HydrophobicContact CD2-CG 4.42Å; L148-L150 HydrophobicContact CG-CD1 4.02Å; L148-L150 HydrophobicContact CG-CD2 4.47Å; L148-L150 HydrophobicContact CG-CG 3.96Å; L148-I164 HydrophobicContact CD2-CD1 3.88Å; L148-I164 HydrophobicContact CD2-CG1 4.22Å; L148-L168 HydrophobicContact CD2-CD1 3.94Å; L148-L171 HydrophobicContact CB-CD1 3.76Å; L148-S173 PolarHBondContact N-O 3.08Å; L148-L174 HydrophobicContact CB-CD1 4.11Å; L148-L174 HydrophobicContact CD2-CD1 4.22Å; L148-L174 HydrophobicContact CG-CD1 4.13Å; L148-L174 WeakPolarHBondContact O-CA 3.45Å; L148-N175 PolarHBondContact O-N 2.89Å
149E98.8Very high97.4Very high39 Ų3930 Ų3018%0.18216%0.16CC..EExtended strand (participates in β ladder)trans-105.4115.9178.2-55.8-74145.200110.2L122 N123 L124 S125 V147 N175L122-E149 PolarHBondContact O-N 3.44Å; N123-E149 HydrophobicContact CB-CB 3.98Å; N123-E149 HydrophobicContact CB-CG 4.22Å; N123-E149 WeakPolarHBondContact OD1-CB 3.43Å; L124-E149 CarbonylContact C-O 3.17Å; L124-E149 WeakPolarHBondContact CA-O 3.41Å; L124-E149 PolarHBondContact N-O 2.88Å; S125-E149 PolarHBondContact N-O 3.05Å; V147-E149 HydrophobicContact CG1-CG 4.22Å; E149-N175 WeakPolarHBondContact OE2-CB 3.39Å; E149-N175 VanDerWaalsContact OE2-CG 3.32Å; E149-N175 PolarHBondContact OE2-ND2 3.19Å
150L98.5Very high97.5Very high0 Ų030 Ų300%016%0.16CC..  trans-12218.8-179.3-63167.3000112L124 I130 L135 L148 G152 C153 I164 L174 N175 L176 C179L124-L150 HydrophobicContact CB-CD2 4.08Å; L124-L150 HydrophobicContact CD1-CD2 4.17Å; I130-L150 HydrophobicContact CD1-CD2 4.1Å; L135-L150 HydrophobicContact CD1-CD1 4.3Å; L135-L150 HydrophobicContact CD2-CD1 3.87Å; L135-L150 HydrophobicContact CD2-CD2 3.99Å; L148-L150 HydrophobicContact CD1-CD2 4.15Å; L148-L150 HydrophobicContact CD1-CG 4.15Å; L148-L150 HydrophobicContact CD2-CD1 3.97Å; L148-L150 HydrophobicContact CD2-CG 4.42Å; L148-L150 HydrophobicContact CG-CD1 4.02Å; L148-L150 HydrophobicContact CG-CD2 4.47Å; L148-L150 HydrophobicContact CG-CG 3.96Å; L150-G152 PolarHBondContact O-N 2.75Å; L150-G152 VanDerWaalsContact O-N 3.15Å; L150-C153 HydrophobicContact CB-CB 4.44Å; L150-C153 VanDerWaalsContact O-CB 3.28Å; L150-C153 WeakPolarHBondContact O-CB 3.33Å; L150-C153 PolarHBondContact O-N 3.15Å; L150-C153 PolarHBondContact O-SG 3.32Å; L150-C153 VanDerWaalsContact O-SG 3.41Å; L150-I164 HydrophobicContact CD1-CD1 4.07Å; L150-L174 HydrophobicContact CD1-CD1 4.23Å; L150-N175 CarbonylContact C-O 3.42Å; L150-N175 WeakPolarHBondContact CA-O 3.34Å; L150-N175 WeakPolarHBondContact CB-O 2.99Å; L150-N175 PolarHBondContact N-O 3.48Å; L150-L176 HydrophobicContact CB-CD2 4.27Å; L150-L176 HydrophobicContact CD1-CD2 3.94Å; L150-C179 PolarHBondContact O-SG 3.27Å; L150-C179 VanDerWaalsContact O-SG 3.4Å
151G98.1Very high97.5Very high1 Ų126 Ų261%0.0114%0.142CC..THydrogen-bonded Turntrans-57.8119.9-175.200000112.2S125 L126 N175 R177S125-G151 CarbonylContact C-O 3.38Å; S125-G151 VanDerWaalsContact CA-O 3.22Å; S125-G151 WeakPolarHBondContact CA-O 3.31Å; S125-G151 WeakPolarHBondContact CB-O 3.45Å; S125-G151 PolarHBondContact OG-N 3.4Å; L126-G151 PolarHBondContact N-O 3.36Å; G151-N175 PolarHBondContact N-O 2.73Å; G151-R177 CarbonylContact C-O 3.52Å; G151-R177 WeakPolarHBondContact CA-O 3.5Å
152G96.3Very high97.6Very high11 Ų1126.1 Ų26.111%0.11315%0.145CC..THydrogen-bonded Turntrans81.711-179.300000115L150 S154 R177L150-G152 PolarHBondContact O-N 2.75Å; L150-G152 VanDerWaalsContact O-N 3.15Å; G152-S154 PolarHBondContact O-N 3.48Å; G152-S154 VanDerWaalsContact O-N 3.13Å; G152-R177 PolarHBondContact N-O 3.4Å
153C96.6Very high97.6Very high0 Ų028.4 Ų28.40%016%0.157CC..  trans-80.483.1170.1-63.30000109.9L124 I130 L150 N155 I156L124-C153 PolarHBondContact O-SG 2.93Å; I130-C153 HydrophobicContact CD1-CB 4.33Å; I130-C153 HydrophobicContact CG1-CB 4.31Å; L150-C153 HydrophobicContact CB-CB 4.44Å; L150-C153 VanDerWaalsContact O-CB 3.28Å; L150-C153 WeakPolarHBondContact O-CB 3.33Å; L150-C153 PolarHBondContact O-N 3.15Å; L150-C153 PolarHBondContact O-SG 3.32Å; L150-C153 VanDerWaalsContact O-SG 3.41Å; C153-N155 PolarHBondContact O-N 3.28Å; C153-I156 HydrophobicContact CB-CG1 3.78Å; C153-I156 PolarHBondContact O-N 3.23Å
154S92.4Very high97.7Very high40 Ų4024.8 Ų24.828%0.2814%0.141SC..THydrogen-bonded Turntrans-64.5-22.2-170.253.90000115.1G152 I156 H181G152-S154 PolarHBondContact O-N 3.48Å; G152-S154 VanDerWaalsContact O-N 3.13Å; S154-I156 VanDerWaalsContact C-N 3.34Å; S154-H181 PolarHBondContact O-CD2 3.24Å
155N96.3Very high97.7Very high70 Ų7023.4 Ų23.437%0.37413%0.134SC..THydrogen-bonded Turntrans-91.15.2-176.8-62.3-13.2000113.4K128 T131 C153K128-N155 PolarHBondContact O-ND2 3.43Å; K128-N155 VanDerWaalsContact O-ND2 3.15Å; T131-N155 HydrophobicContact CG2-CB 4.14Å; C153-N155 PolarHBondContact O-N 3.28Å
156I97.9Very high97.6Very high0 Ų030.8 Ų30.80%016%0.162CC..  trans-80.4131.3172.6-60.6-51000109.7I130 T131 D132 L135 C153 S154 L161I130-I156 HydrophobicContact CG1-CD1 4.25Å; T131-I156 VanDerWaalsContact C-CD1 3.48Å; D132-I156 WeakPolarHBondContact OD1-CA 3.4Å; L135-I156 HydrophobicContact CD1-CD1 3.67Å; L135-I156 HydrophobicContact CD1-CG1 4.22Å; L135-I156 HydrophobicContact CD1-CG2 3.6Å; L135-I156 HydrophobicContact CG-CD1 3.93Å; C153-I156 HydrophobicContact CB-CG1 3.78Å; C153-I156 PolarHBondContact O-N 3.23Å; S154-I156 VanDerWaalsContact C-N 3.34Å; I156-L161 HydrophobicContact CG2-CD1 3.96Å
157T98.4Very high97.4Very high43 Ų4328.5 Ų28.526%0.26415%0.151SC..BIsolated β-bridgetrans-120.5-176.4-178.686.40000112D132 T159 G160 L161 H181D132-T157 PolarHBondContact OD1-N 3.25Å; D132-T157 WeakPolarHBondContact OD2-CB 3.25Å; D132-T157 PolarHBondContact OD2-OG1 3.35Å; T157-T159 PolarHBondContact O-N 3.24Å; T157-T159 PolarHBondContact OG1-N 3.34Å; T157-G160 PolarHBondContact O-N 2.69Å; T157-L161 PolarHBondContact O-N 3.2Å; T157-H181 HydrophobicContact CG2-CB 4.12Å
158N98.2Very high97.3Very high31 Ų3126.8 Ų26.817%0.16614%0.141CC..Hα-helixtrans-57.6-29.8174.2-61.7-32.9000112.8G160 L161 L162 S183 V185 G186N158-G160 VanDerWaalsContact C-N 3.32Å; N158-G160 PolarHBondContact O-N 3.13Å; N158-L161 PolarHBondContact O-N 3.25Å; N158-L162 PolarHBondContact O-N 3.01Å; N158-S183 PolarHBondContact ND2-OG 3.04Å; N158-S183 PolarHBondContact OD1-N 3.37Å; N158-V185 HydrophobicContact CB-CG1 4.39Å; N158-G186 VanDerWaalsContact OD1-CA 3.31Å; N158-G186 WeakPolarHBondContact OD1-CA 3.39Å; N158-G186 PolarHBondContact OD1-N 2.96Å; N158-G186 VanDerWaalsContact OD1-N 3.13Å
159T98.2Very high97.1Very high79 Ų7929.7 Ų29.749%0.48515%0.154SC..Hα-helixtrans-63.7-39.5175.1-59.70000111.3D132 T157 L161 L162 L163D132-T159 HydrophobicContact CB-CG2 4.41Å; D132-T159 WeakPolarHBondContact OD2-CB 3.37Å; T157-T159 PolarHBondContact O-N 3.24Å; T157-T159 PolarHBondContact OG1-N 3.34Å; T159-L161 VanDerWaalsContact C-N 3.32Å; T159-L161 PolarHBondContact O-N 3.13Å; T159-L162 WeakPolarHBondContact O-CB 3.03Å; T159-L162 PolarHBondContact O-N 3.21Å; T159-L163 HydrophobicContact CG2-CD1 4.43Å; T159-L163 WeakPolarHBondContact O-CG 3.45Å; T159-L163 PolarHBondContact O-N 3.23Å
160G98.1Very high97Very high0 Ų034.2 Ų34.20%017%0.17CC..Hα-helixtrans-59.9-42173.200000112.9D132 T157 N158 L163 I164D132-G160 WeakPolarHBondContact OD1-CA 3.36Å; D132-G160 PolarHBondContact OD1-N 2.96Å; D132-G160 VanDerWaalsContact OD1-N 3.17Å; D132-G160 PolarHBondContact OD2-N 2.94Å; T157-G160 PolarHBondContact O-N 2.69Å; N158-G160 VanDerWaalsContact C-N 3.32Å; N158-G160 PolarHBondContact O-N 3.13Å; G160-L163 PolarHBondContact O-N 3.05Å; G160-I164 WeakPolarHBondContact O-CG1 3.5Å; G160-I164 PolarHBondContact O-N 2.64Å
161L98.4Very high97Very high0 Ų034.2 Ų34.20%017%0.17CC..Hα-helixtrans-68.8-34.4177.1-86.459.3000112.4I156 T157 N158 T159 I164 A165 L176 V182 I187 L190I156-L161 HydrophobicContact CG2-CD1 3.96Å; T157-L161 PolarHBondContact O-N 3.2Å; N158-L161 PolarHBondContact O-N 3.25Å; T159-L161 VanDerWaalsContact C-N 3.32Å; T159-L161 PolarHBondContact O-N 3.13Å; L161-I164 PolarHBondContact O-N 2.87Å; L161-A165 WeakPolarHBondContact O-CB 3.45Å; L161-A165 PolarHBondContact O-N 2.93Å; L161-L176 HydrophobicContact CD1-CD1 4.22Å; L161-L176 HydrophobicContact CD1-CD2 4.01Å; L161-L176 HydrophobicContact CD2-CD1 3.92Å; L161-L176 HydrophobicContact CG-CD1 4.27Å; L161-V182 HydrophobicContact CD1-CG2 3.87Å; L161-V182 HydrophobicContact CD2-CB 4.47Å; L161-V182 HydrophobicContact CD2-CG1 3.58Å; L161-V182 HydrophobicContact CD2-CG2 4.05Å; L161-I187 HydrophobicContact CD2-CD1 4.44Å; L161-L190 HydrophobicContact CB-CD2 4.34Å; L161-L190 HydrophobicContact CB-CG 4.26Å; L161-L190 HydrophobicContact CD2-CD1 3.81Å; L161-L190 HydrophobicContact CD2-CG 4.21Å; L161-L190 HydrophobicContact CG-CD1 4.03Å; L161-L190 HydrophobicContact CG-CD2 4.32Å; L161-L190 HydrophobicContact CG-CG 4.15Å
162L98.2Very high97.1Very high45 Ų4538 Ų3824%0.23619%0.186CC..Hα-helixtrans-60-45.5170.4175.159.9000111.4N158 T159 A165 W166 H189 A197N158-L162 PolarHBondContact O-N 3.01Å; T159-L162 WeakPolarHBondContact O-CB 3.03Å; T159-L162 PolarHBondContact O-N 3.21Å; L162-A165 PolarHBondContact O-N 2.8Å; L162-W166 PolarHBondContact O-N 2.81Å; L162-H189 HydrophobicContact CB-CB 4.42Å; L162-A197 HydrophobicContact CD1-CB 3.71Å
163L97.8Very high97.2Very high48 Ų4838.5 Ų38.525%0.25119%0.188SC..Hα-helixtrans-64.4-41.6177.8-65.7166.2000111.7D132 A139 T159 G160 W166 G167D132-L163 WeakPolarHBondContact O-CD1 3.46Å; A139-L163 HydrophobicContact CB-CB 4.42Å; A139-L163 WeakPolarHBondContact CB-O 3.08Å; T159-L163 HydrophobicContact CG2-CD1 4.43Å; T159-L163 WeakPolarHBondContact O-CG 3.45Å; T159-L163 PolarHBondContact O-N 3.23Å; G160-L163 PolarHBondContact O-N 3.05Å; L163-W166 PolarHBondContact O-N 3.13Å; L163-G167 PolarHBondContact O-N 3.27Å
164I97.9Very high97.3Very high0 Ų038.6 Ų38.60%019%0.188CC..Hα-helixtrans-57.5-50173.1-73.7168.7000110.6L135 L148 L150 G160 L161 W166 G167 L168 L171 L174 L190L135-I164 HydrophobicContact CD1-CD1 3.9Å; L135-I164 HydrophobicContact CD1-CG1 4.4Å; L135-I164 HydrophobicContact CD2-CD1 4.2Å; L135-I164 HydrophobicContact CD2-CG1 4.48Å; L148-I164 HydrophobicContact CD2-CD1 3.88Å; L148-I164 HydrophobicContact CD2-CG1 4.22Å; L150-I164 HydrophobicContact CD1-CD1 4.07Å; G160-I164 WeakPolarHBondContact O-CG1 3.5Å; G160-I164 PolarHBondContact O-N 2.64Å; L161-I164 PolarHBondContact O-N 2.87Å; I164-W166 PolarHBondContact O-N 2.97Å; I164-G167 PolarHBondContact O-N 2.8Å; I164-L168 HydrophobicContact CB-CD1 4.43Å; I164-L168 HydrophobicContact CG1-CD1 4.16Å; I164-L168 HydrophobicContact CG2-CB 4.38Å; I164-L168 HydrophobicContact CG2-CD1 4.12Å; I164-L168 WeakPolarHBondContact O-CB 3.49Å; I164-L168 PolarHBondContact O-N 2.92Å; I164-L171 HydrophobicContact CG2-CD2 4.03Å; I164-L174 HydrophobicContact CD1-CD1 4.48Å; I164-L190 HydrophobicContact CB-CD2 4.35Å; I164-L190 HydrophobicContact CG2-CD2 3.76Å
165A97.4Very high97.6Very high0 Ų037.9 Ų37.90%018%0.181CC..Hα-helixtrans-61.2-29.5-179.700000113.1L161 L162 H169 H189 A197L161-A165 WeakPolarHBondContact O-CB 3.45Å; L161-A165 PolarHBondContact O-N 2.93Å; L162-A165 PolarHBondContact O-N 2.8Å; A165-H169 PolarHBondContact O-CE1 2.81Å; A165-H169 VanDerWaalsContact O-CE1 3.26Å; A165-H189 HydrophobicContact CB-CB 4.39Å; A165-H189 WeakPolarHBondContact CB-O 3.14Å; A165-A197 HydrophobicContact CB-CB 3.98Å
166W94.9Very high97.7Very high155 Ų15534.6 Ų34.659%0.58716%0.164SC*.Hα-helixtrans-79.9-25.4178.5-17862.5000114.4L162 L163 I164 H169L162-W166 PolarHBondContact O-N 2.81Å; L163-W166 PolarHBondContact O-N 3.13Å; I164-W166 PolarHBondContact O-N 2.97Å; W166-H169 PolarHBondContact O-CE1 3.36Å; W166-H169 PolarHBondContact O-NE2 3.09Å; W166-H169 VanDerWaalsContact O-NE2 3.09Å
167G94.4Very high97.7Very high1 Ų138.4 Ų38.41%0.0118%0.178CC..Hα-helixtrans-118.7-25.3-170.300000116.1K143 L163 I164K143-G167 WeakPolarHBondContact CD-O 3.47Å; L163-G167 PolarHBondContact O-N 3.27Å; I164-G167 PolarHBondContact O-N 2.8Å
168L97.1Very high97.7Very high0 Ų037.2 Ų37.20%017%0.171CC..  trans-112.556.2-165.4-54.6-174.2000112.5I138 L142 L145 L148 I164 R170 L171I138-L168 HydrophobicContact CG2-CD1 4.08Å; L142-L168 VanDerWaalsContact O-CD2 3.31Å; L142-L168 WeakPolarHBondContact O-CD2 3.33Å; L145-L168 HydrophobicContact CB-CD2 4.33Å; L145-L168 HydrophobicContact CD2-CD1 4.2Å; L148-L168 HydrophobicContact CD2-CD1 3.94Å; I164-L168 HydrophobicContact CB-CD1 4.43Å; I164-L168 HydrophobicContact CG1-CD1 4.16Å; I164-L168 HydrophobicContact CG2-CB 4.38Å; I164-L168 HydrophobicContact CG2-CD1 4.12Å; I164-L168 WeakPolarHBondContact O-CB 3.49Å; I164-L168 PolarHBondContact O-N 2.92Å; L168-R170 PolarHBondContact O-N 2.97Å; L168-R170 VanDerWaalsContact O-N 3.16Å; L168-L171 HydrophobicContact CB-CB 4.27Å; L168-L171 WeakPolarHBondContact O-CB 3.25Å; L168-L171 PolarHBondContact O-N 2.77Å; L168-L171 VanDerWaalsContact O-N 3.11Å
169H95.4Very high97.6Very high60 Ų6035.7 Ų35.728%0.27816%0.163SC..THydrogen-bonded Turntrans-69.2-12.7-176.1-48-66000114.6A165 W166 E199 G200 N203A165-H169 PolarHBondContact O-CE1 2.81Å; A165-H169 VanDerWaalsContact O-CE1 3.26Å; W166-H169 PolarHBondContact O-CE1 3.36Å; W166-H169 PolarHBondContact O-NE2 3.09Å; W166-H169 VanDerWaalsContact O-NE2 3.09Å; H169-E199 IonicContact CE1-OE2 2.86Å; H169-E199 PolarHBondContact CE1-OE2 3.3Å; H169-E199 VanDerWaalsContact CE1-OE2 3.24Å; H169-E199 IonicContact NE2-OE2 3.43Å; H169-E199 PolarHBondContact NE2-OE2 2.75Å; H169-G200 PolarHBondContact ND1-O 3.15Å; H169-N203 PolarHBondContact O-ND2 3.42Å
170R97.4Very high97.4Very high134 Ų13438.8 Ų38.851%0.50617%0.166SC..THydrogen-bonded Turntrans-91.50.3175.6-67.9-175.8173-162.5-4.9113.3N144 L145 L168 K172N144-R170 WeakPolarHBondContact OD1-CD 3.42Å; N144-R170 PolarHBondContact OD1-NH1 2.84Å; L145-R170 CarbonylContact O-C 3.56Å; L145-R170 VanDerWaalsContact O-C 3.31Å; L168-R170 PolarHBondContact O-N 2.97Å; L168-R170 VanDerWaalsContact O-N 3.16Å; R170-K172 PolarHBondContact O-N 2.82Å
171L98.5Very high97.3Very high0 Ų042.9 Ų42.90%019%0.185CC..  trans-65.3127.2-177.7-16271.1000110.7L145 L148 I164 L168 L174 N203 L204L145-L171 HydrophobicContact CD2-CD1 4.45Å; L145-L171 WeakPolarHBondContact O-CA 3.28Å; L145-L171 PolarHBondContact O-N 3.35Å; L148-L171 HydrophobicContact CB-CD1 3.76Å; I164-L171 HydrophobicContact CG2-CD2 4.03Å; L168-L171 HydrophobicContact CB-CB 4.27Å; L168-L171 WeakPolarHBondContact O-CB 3.25Å; L168-L171 PolarHBondContact O-N 2.77Å; L168-L171 VanDerWaalsContact O-N 3.11Å; L171-L174 HydrophobicContact CD2-CB 3.95Å; L171-L174 HydrophobicContact CD2-CD1 4.28Å; L171-L174 HydrophobicContact CD2-CD2 4.27Å; L171-L174 HydrophobicContact CD2-CG 4.39Å; L171-N203 CarbonylContact O-C 3.21Å; L171-L204 HydrophobicContact CB-CD1 4.33Å; L171-L204 HydrophobicContact CD2-CD1 3.99Å; L171-L204 HydrophobicContact CG-CD1 3.96Å; L171-L204 PolarHBondContact O-N 3.47Å
172K98.7Very high97.3Very high80 Ų8042.9 Ų42.935%0.34819%0.185SC..  trans-111.6-31.3177.8-64.3177.1-174.5159.20112E146 R170 E205 Y206E146-K172 WeakPolarHBondContact O-CA 3.47Å; E146-K172 PolarHBondContact O-N 3.08Å; E146-K172 IonicContact OE2-NZ 3.81Å; E146-K172 PolarHBondContact OE2-NZ 3.36Å; R170-K172 PolarHBondContact O-N 2.82Å; K172-E205 PolarHBondContact O-N 3.06Å; K172-Y206 PolarHBondContact O-N 2.82Å
173S98.9Very high97.3Very high23 Ų2341.8 Ų41.816%0.16118%0.181CC..EExtended strand (participates in β ladder)trans-128.5127.6179.2-174.70000111E146 V147 L148 Y206E146-S173 PolarHBondContact O-N 3.22Å; V147-S173 WeakPolarHBondContact CA-O 3.46Å; L148-S173 PolarHBondContact N-O 3.08Å; S173-Y206 WeakPolarHBondContact CA-O 3.49Å
174L98.9Very high97.3Very high1 Ų140.3 Ų40.31%0.00517%0.174CC..EExtended strand (participates in β ladder)trans-132.4124.1174.7-179.958.6000110.2L148 L150 I164 L171 L176 L190 L204 Y206 L207 T208L148-L174 HydrophobicContact CB-CD1 4.11Å; L148-L174 HydrophobicContact CD2-CD1 4.22Å; L148-L174 HydrophobicContact CG-CD1 4.13Å; L148-L174 WeakPolarHBondContact O-CA 3.45Å; L150-L174 HydrophobicContact CD1-CD1 4.23Å; I164-L174 HydrophobicContact CD1-CD1 4.48Å; L171-L174 HydrophobicContact CD2-CB 3.95Å; L171-L174 HydrophobicContact CD2-CD1 4.28Å; L171-L174 HydrophobicContact CD2-CD2 4.27Å; L171-L174 HydrophobicContact CD2-CG 4.39Å; L174-L176 HydrophobicContact CD1-CD2 4.31Å; L174-L176 HydrophobicContact CD1-CG 4.22Å; L174-L176 HydrophobicContact CD2-CD1 3.84Å; L174-L176 HydrophobicContact CD2-CG 4.21Å; L174-L176 HydrophobicContact CG-CD1 4.1Å; L174-L176 HydrophobicContact CG-CG 3.95Å; L174-L190 HydrophobicContact CD2-CD1 3.64Å; L174-L190 HydrophobicContact CD2-CD2 4.09Å; L174-L204 HydrophobicContact CB-CD1 3.91Å; L174-L204 HydrophobicContact CB-CD2 4.32Å; L174-Y206 PolarHBondContact N-O 2.85Å; L174-L207 HydrophobicContact CB-CD1 4.31Å; L174-L207 HydrophobicContact CD2-CD1 4.44Å; L174-L207 HydrophobicContact CG-CD1 4.43Å; L174-L207 WeakPolarHBondContact O-CA 3.47Å; L174-T208 PolarHBondContact O-N 2.94Å
175N98.8Very high97.4Very high26 Ų2644 Ų4414%0.13920%0.196CC..EExtended strand (participates in β ladder)trans-113.2116.3174.8-173.6-13.8000110.8L148 E149 L150 G151 R177 T208L148-N175 PolarHBondContact O-N 2.89Å; E149-N175 WeakPolarHBondContact OE2-CB 3.39Å; E149-N175 VanDerWaalsContact OE2-CG 3.32Å; E149-N175 PolarHBondContact OE2-ND2 3.19Å; L150-N175 CarbonylContact C-O 3.42Å; L150-N175 WeakPolarHBondContact CA-O 3.34Å; L150-N175 WeakPolarHBondContact CB-O 2.99Å; L150-N175 PolarHBondContact N-O 3.48Å; G151-N175 PolarHBondContact N-O 2.73Å; N175-R177 VanDerWaalsContact OD1-CB 3.25Å; N175-R177 WeakPolarHBondContact OD1-CB 3.45Å; N175-R177 PolarHBondContact OD1-N 2.71Å; N175-T208 WeakPolarHBondContact OD1-CG2 3.31Å
176L98.6Very high97.4Very high0 Ų044 Ų440%020%0.196CC..  trans-118.124.1179.5-67166.7000111.4L150 L161 L174 S178 C179 L190 T208 L209 C212L150-L176 HydrophobicContact CB-CD2 4.27Å; L150-L176 HydrophobicContact CD1-CD2 3.94Å; L161-L176 HydrophobicContact CD1-CD1 4.22Å; L161-L176 HydrophobicContact CD1-CD2 4.01Å; L161-L176 HydrophobicContact CD2-CD1 3.92Å; L161-L176 HydrophobicContact CG-CD1 4.27Å; L174-L176 HydrophobicContact CD1-CD2 4.31Å; L174-L176 HydrophobicContact CD1-CG 4.22Å; L174-L176 HydrophobicContact CD2-CD1 3.84Å; L174-L176 HydrophobicContact CD2-CG 4.21Å; L174-L176 HydrophobicContact CG-CD1 4.1Å; L174-L176 HydrophobicContact CG-CG 3.95Å; L176-S178 PolarHBondContact O-N 3.41Å; L176-C179 HydrophobicContact CB-CB 4.2Å; L176-C179 HydrophobicContact CD2-CB 4.46Å; L176-C179 VanDerWaalsContact O-CB 3.22Å; L176-C179 WeakPolarHBondContact O-CB 3.31Å; L176-C179 PolarHBondContact O-N 3.15Å; L176-C179 PolarHBondContact O-SG 3.37Å; L176-L190 HydrophobicContact CD1-CD1 4.34Å; L176-T208 WeakPolarHBondContact CA-O 3.43Å; L176-T208 PolarHBondContact N-O 2.98Å; L176-L209 HydrophobicContact CB-CD2 4.14Å; L176-L209 HydrophobicContact CD1-CD2 3.92Å; L176-C212 PolarHBondContact O-SG 3.1Å
177R98.4Very high97.6Very high80 Ų8036.7 Ų36.730%0.30217%0.168SC..THydrogen-bonded Turntrans-49.2130.1179.8178.8-175.870.278.50.8110.9G151 G152 N175 C179 T208 Q210G151-R177 CarbonylContact C-O 3.52Å; G151-R177 WeakPolarHBondContact CA-O 3.5Å; G152-R177 PolarHBondContact N-O 3.4Å; N175-R177 VanDerWaalsContact OD1-CB 3.25Å; N175-R177 WeakPolarHBondContact OD1-CB 3.45Å; N175-R177 PolarHBondContact OD1-N 2.71Å; R177-C179 PolarHBondContact O-N 3Å; R177-T208 HydrophobicContact CB-CG2 4.17Å; R177-Q210 CarbonylContact C-O 3.54Å; R177-Q210 VanDerWaalsContact CA-O 3.28Å; R177-Q210 WeakPolarHBondContact CA-O 3.31Å; R177-Q210 HydrophobicContact CB-CB 4.42Å; R177-Q210 HydrophobicContact CG-CB 3.96Å; R177-Q210 HydrophobicContact CG-CG 4.01Å
178S97.2Very high97.7Very high18 Ų1836.7 Ų36.713%0.12617%0.168CC..THydrogen-bonded Turntrans5724.3179.6-55.80000114.3L176 R180 Q210 D211L176-S178 PolarHBondContact O-N 3.41Å; S178-R180 VanDerWaalsContact C-N 3.25Å; S178-R180 PolarHBondContact O-N 3.48Å; S178-Q210 PolarHBondContact N-O 3.26Å; S178-D211 WeakPolarHBondContact CB-OD2 3.37Å; S178-D211 PolarHBondContact OG-OD2 2.81Å
179C96.9Very high97.8Very high0 Ų037.6 Ų37.60%017%0.173CC..  trans-80.173.8167.3-69.10000109.7L150 L176 R177 H181 V182L150-C179 PolarHBondContact O-SG 3.27Å; L150-C179 VanDerWaalsContact O-SG 3.4Å; L176-C179 HydrophobicContact CB-CB 4.2Å; L176-C179 HydrophobicContact CD2-CB 4.46Å; L176-C179 VanDerWaalsContact O-CB 3.22Å; L176-C179 WeakPolarHBondContact O-CB 3.31Å; L176-C179 PolarHBondContact O-N 3.15Å; L176-C179 PolarHBondContact O-SG 3.37Å; R177-C179 PolarHBondContact O-N 3Å; C179-H181 PolarHBondContact O-N 3.34Å; C179-V182 HydrophobicContact CB-CB 4.49Å; C179-V182 HydrophobicContact CB-CG2 3.82Å; C179-V182 WeakPolarHBondContact O-CB 3.38Å; C179-V182 PolarHBondContact O-N 2.88Å
180R93.4Very high97.9Very high144 Ų14434.8 Ų34.854%0.54316%0.16SC..THydrogen-bonded Turntrans-61.7-11.5-167.3-62.1178.4-179.5173.1-2.1116.2S178 D211S178-R180 VanDerWaalsContact C-N 3.25Å; S178-R180 PolarHBondContact O-N 3.48Å; R180-D211 IonicContact NE-OD2 2.72Å; R180-D211 IonicContact NH2-OD2 3.63Å
181H96.9Very high97.9Very high85 Ų8528.4 Ų28.439%0.39414%0.136SC..BIsolated β-bridgetrans-97.3-4.3176.9-61.8-38.4000113.6S154 T157 C179S154-H181 PolarHBondContact O-CD2 3.24Å; T157-H181 HydrophobicContact CG2-CB 4.12Å; C179-H181 PolarHBondContact O-N 3.34Å
182V97.9Very high97.8Very high0 Ų029.3 Ų29.30%015%0.145CC..  trans-75.7130.6170.7173.50000109.7L161 C179 I187L161-V182 HydrophobicContact CD1-CG2 3.87Å; L161-V182 HydrophobicContact CD2-CB 4.47Å; L161-V182 HydrophobicContact CD2-CG1 3.58Å; L161-V182 HydrophobicContact CD2-CG2 4.05Å; C179-V182 HydrophobicContact CB-CB 4.49Å; C179-V182 HydrophobicContact CB-CG2 3.82Å; C179-V182 WeakPolarHBondContact O-CB 3.38Å; C179-V182 PolarHBondContact O-N 2.88Å; V182-I187 HydrophobicContact CG1-CD1 4.17Å
183S98.4Very high97.6Very high23 Ų2329 Ų2916%0.16115%0.146CC..BIsolated β-bridgetrans-129.5-175.1175.371.80000111.4N158 V185 G186 I187 K214N158-S183 PolarHBondContact ND2-OG 3.04Å; N158-S183 PolarHBondContact OD1-N 3.37Å; S183-V185 PolarHBondContact O-N 3.16Å; S183-G186 PolarHBondContact O-N 2.96Å; S183-I187 PolarHBondContact O-N 3.4Å; S183-K214 WeakPolarHBondContact CB-O 3.36Å
184D98.4Very high97.1Very high17 Ų1729.7 Ų29.79%0.09115%0.149CC..Hα-helixtrans-51.2-33178.8-53.8-41.6000113.3I187 G188 T216 L218 S219 H222D184-I187 PolarHBondContact O-N 3.29Å; D184-G188 PolarHBondContact O-N 2.93Å; D184-T216 VanDerWaalsContact CG-OG1 3.32Å; D184-T216 PolarHBondContact OD1-N 3.35Å; D184-T216 PolarHBondContact OD1-OG1 3.19Å; D184-T216 WeakPolarHBondContact OD2-CB 3.25Å; D184-T216 PolarHBondContact OD2-OG1 2.98Å; D184-L218 HydrophobicContact CB-CB 4.12Å; D184-L218 HydrophobicContact CB-CD2 4.03Å; D184-L218 HydrophobicContact CB-CG 4.09Å; D184-S219 WeakPolarHBondContact OD1-CB 3.28Å; D184-S219 PolarHBondContact OD1-N 3.29Å; D184-S219 VanDerWaalsContact OD1-N 3.15Å; D184-H222 PolarHBondContact O-CD2 3.05Å
185V98.1Very high96.4Very high78 Ų7841.7 Ų41.747%0.47319%0.194SC..Hα-helixtrans-61.8-46.6177.5177.60000111.3N158 S183 I187 G188 H189N158-V185 HydrophobicContact CB-CG1 4.39Å; S183-V185 PolarHBondContact O-N 3.16Å; V185-I187 VanDerWaalsContact C-N 3.32Å; V185-I187 PolarHBondContact O-N 3.34Å; V185-G188 WeakPolarHBondContact O-CA 3.49Å; V185-G188 PolarHBondContact O-N 3.01Å; V185-G188 VanDerWaalsContact O-N 3.14Å; V185-H189 PolarHBondContact O-CD2 3.03Å; V185-H189 PolarHBondContact O-N 2.86Å
186G98.1Very high95.4Very high0 Ų044 Ų440%021%0.212CC..Hα-helixtrans-62.6-41177.400000112N158 S183 G188 H189 L190N158-G186 VanDerWaalsContact OD1-CA 3.31Å; N158-G186 WeakPolarHBondContact OD1-CA 3.39Å; N158-G186 PolarHBondContact OD1-N 2.96Å; N158-G186 VanDerWaalsContact OD1-N 3.13Å; S183-G186 PolarHBondContact O-N 2.96Å; G186-G188 VanDerWaalsContact C-N 3.31Å; G186-G188 PolarHBondContact O-N 3.11Å; G186-H189 WeakPolarHBondContact O-CB 3.28Å; G186-H189 PolarHBondContact O-N 3.18Å; G186-L190 PolarHBondContact O-N 3.31Å; G186-L190 VanDerWaalsContact O-N 3.17Å
187I98.4Very high94.6Very high0 Ų044.2 Ų44.20%021%0.214CC..Hα-helixtrans-64.8-38.5173.9-56.1-52.1000111.2L161 V182 S183 D184 V185 H189 L190 A191 L209 L215 H222 I223L161-I187 HydrophobicContact CD2-CD1 4.44Å; V182-I187 HydrophobicContact CG1-CD1 4.17Å; S183-I187 PolarHBondContact O-N 3.4Å; D184-I187 PolarHBondContact O-N 3.29Å; V185-I187 VanDerWaalsContact C-N 3.32Å; V185-I187 PolarHBondContact O-N 3.34Å; I187-H189 VanDerWaalsContact C-N 3.3Å; I187-H189 PolarHBondContact O-N 3.45Å; I187-L190 HydrophobicContact CD1-CD1 4.37Å; I187-L190 PolarHBondContact O-N 2.92Å; I187-A191 VanDerWaalsContact O-CB 3.27Å; I187-A191 WeakPolarHBondContact O-CB 3.32Å; I187-A191 PolarHBondContact O-N 2.84Å; I187-L209 HydrophobicContact CD1-CD1 3.89Å; I187-L209 HydrophobicContact CD1-CD2 3.63Å; I187-L209 HydrophobicContact CD1-CG 4.42Å; I187-L215 HydrophobicContact CD1-CD2 4.31Å; I187-L215 HydrophobicContact CG1-CD2 3.6Å; I187-H222 HydrophobicContact CG2-CB 4.25Å; I187-I223 HydrophobicContact CG2-CD1 3.97Å; I187-I223 HydrophobicContact CG2-CG1 3.54Å
188G98.3Very high93.5Very high1 Ų143.7 Ų43.71%0.0123%0.226CC..Hα-helixtrans-57.5-40172.400000112.8D184 V185 G186 A191 G192 M193D184-G188 PolarHBondContact O-N 2.93Å; V185-G188 WeakPolarHBondContact O-CA 3.49Å; V185-G188 PolarHBondContact O-N 3.01Å; V185-G188 VanDerWaalsContact O-N 3.14Å; G186-G188 VanDerWaalsContact C-N 3.31Å; G186-G188 PolarHBondContact O-N 3.11Å; G188-A191 PolarHBondContact O-N 3.31Å; G188-G192 PolarHBondContact O-N 2.92Å; G188-M193 WeakPolarHBondContact O-CB 3.35Å; G188-M193 PolarHBondContact O-N 3.23Å
189H98.3Very high92.9Very high20 Ų2049 Ų499%0.09325%0.25CC..Hα-helixtrans-63.5-49.4173.8-63.1-44.6000112.2L162 A165 V185 G186 I187 A191 G192 T194 A197L162-H189 HydrophobicContact CB-CB 4.42Å; A165-H189 HydrophobicContact CB-CB 4.39Å; A165-H189 WeakPolarHBondContact CB-O 3.14Å; V185-H189 PolarHBondContact O-CD2 3.03Å; V185-H189 PolarHBondContact O-N 2.86Å; G186-H189 WeakPolarHBondContact O-CB 3.28Å; G186-H189 PolarHBondContact O-N 3.18Å; I187-H189 VanDerWaalsContact C-N 3.3Å; I187-H189 PolarHBondContact O-N 3.45Å; H189-A191 PolarHBondContact O-N 2.85Å; H189-G192 PolarHBondContact O-N 3.19Å; H189-G192 VanDerWaalsContact O-N 3.11Å; H189-T194 PolarHBondContact ND1-OG1 3.38Å; H189-A197 HydrophobicContact CB-CB 4.04Å; H189-A197 WeakPolarHBondContact O-CB 3.44Å
190L98.1Very high92.6Very high0 Ų049 Ų490%025%0.25CC..Hα-helixtrans-60.1-37178.1-64.1177.1000112L161 I164 L174 L176 G186 I187 G192 G200 C201L161-L190 HydrophobicContact CB-CD2 4.34Å; L161-L190 HydrophobicContact CB-CG 4.26Å; L161-L190 HydrophobicContact CD2-CD1 3.81Å; L161-L190 HydrophobicContact CD2-CG 4.21Å; L161-L190 HydrophobicContact CG-CD1 4.03Å; L161-L190 HydrophobicContact CG-CD2 4.32Å; L161-L190 HydrophobicContact CG-CG 4.15Å; I164-L190 HydrophobicContact CB-CD2 4.35Å; I164-L190 HydrophobicContact CG2-CD2 3.76Å; L174-L190 HydrophobicContact CD2-CD1 3.64Å; L174-L190 HydrophobicContact CD2-CD2 4.09Å; L176-L190 HydrophobicContact CD1-CD1 4.34Å; G186-L190 PolarHBondContact O-N 3.31Å; G186-L190 VanDerWaalsContact O-N 3.17Å; I187-L190 HydrophobicContact CD1-CD1 4.37Å; I187-L190 PolarHBondContact O-N 2.92Å; L190-G192 VanDerWaalsContact C-N 3.28Å; L190-G192 PolarHBondContact O-N 3.32Å; L190-G200 WeakPolarHBondContact O-CA 3.36Å; L190-C201 PolarHBondContact O-N 2.8Å
191A97.6Very high92.7Very high1 Ų142.2 Ų42.21%0.00822%0.224CC..THydrogen-bonded Turntrans-80.30.1179.600000114.2I187 G188 H189 M193 H222 G226 L227I187-A191 VanDerWaalsContact O-CB 3.27Å; I187-A191 WeakPolarHBondContact O-CB 3.32Å; I187-A191 PolarHBondContact O-N 2.84Å; G188-A191 PolarHBondContact O-N 3.31Å; H189-A191 PolarHBondContact O-N 2.85Å; A191-M193 VanDerWaalsContact C-N 3.29Å; A191-M193 HydrophobicContact CB-CG 3.75Å; A191-M193 WeakPolarHBondContact O-CE 3.28Å; A191-M193 PolarHBondContact O-N 3.35Å; A191-H222 HydrophobicContact CB-CB 4.09Å; A191-H222 VanDerWaalsContact CB-O 3.31Å; A191-H222 WeakPolarHBondContact CB-O 3.15Å; A191-G226 VanDerWaalsContact O-CA 3.28Å; A191-G226 WeakPolarHBondContact O-CA 3.39Å; A191-L227 HydrophobicContact CB-CD2 4.43Å; A191-L227 HydrophobicContact CB-CG 4.27Å
192G96.1Very high92.7Very high18 Ų1841.3 Ų41.319%0.18622%0.221CC..THydrogen-bonded Turntrans70.622.8-178.500000114.7G188 H189 L190 T194 A197G188-G192 PolarHBondContact O-N 2.92Å; H189-G192 PolarHBondContact O-N 3.19Å; H189-G192 VanDerWaalsContact O-N 3.11Å; L190-G192 VanDerWaalsContact C-N 3.28Å; L190-G192 PolarHBondContact O-N 3.32Å; G192-T194 VanDerWaalsContact C-N 3.32Å; G192-A197 VanDerWaalsContact CA-O 3.31Å; G192-A197 WeakPolarHBondContact CA-O 3.41Å
193M94.3Very high92.7Very high75 Ų7544.3 Ų44.337%0.36924%0.237SC..  trans-85.4-6.8-174.6-60.5-71.7108.100113.3G188 A191 H222 K225G188-M193 WeakPolarHBondContact O-CB 3.35Å; G188-M193 PolarHBondContact O-N 3.23Å; A191-M193 VanDerWaalsContact C-N 3.29Å; A191-M193 HydrophobicContact CB-CG 3.75Å; A191-M193 WeakPolarHBondContact O-CE 3.28Å; A191-M193 PolarHBondContact O-N 3.35Å; M193-H222 HydrophobicContact CG-CB 3.99Å; M193-H222 WeakPolarHBondContact CG-ND1 3.26Å; M193-K225 HydrophobicContact CE-CB 4.02Å; M193-K225 HydrophobicContact SD-CB 3.92Å; M193-K225 HydrophobicContact SD-CD 4.38Å
194T87.8Confident92.7Very high37 Ų3743.2 Ų43.223%0.22723%0.23CC..SBendtrans-116.3142.8-179.360.50000110.5H189 G192 S196 A197 A198H189-T194 PolarHBondContact ND1-OG1 3.38Å; G192-T194 VanDerWaalsContact C-N 3.32Å; T194-S196 PolarHBondContact O-N 2.85Å; T194-S196 VanDerWaalsContact O-N 3.16Å; T194-A197 CarbonylContact O-C 3.43Å; T194-A197 PolarHBondContact O-N 3.09Å; T194-A197 WeakPolarHBondContact OG1-CB 3.44Å; T194-A198 PolarHBondContact O-N 2.92Å
195R83.9Confident92.7Very high253 Ų25344.4 Ų44.496%0.95524%0.235SC*.G310 helixtrans-54.4-37.1178.1-66.5-175.9-174169.71.8113.1A197R195-A197 PolarHBondContact O-N 3.12Å
196S78.3Confident92.7Very high75 Ų7544.8 Ų44.852%0.52423%0.228SC..G310 helixtrans-70.3-9.8179.254.20000114.6T194T194-S196 PolarHBondContact O-N 2.85Å; T194-S196 VanDerWaalsContact O-N 3.16Å
197A81.4Confident92.8Very high4 Ų444.8 Ų44.83%0.03323%0.229CC..G310 helixtrans-139.430.8-174.900000111.9L162 A165 H189 G192 T194 R195 E199 G200L162-A197 HydrophobicContact CD1-CB 3.71Å; A165-A197 HydrophobicContact CB-CB 3.98Å; H189-A197 HydrophobicContact CB-CB 4.04Å; H189-A197 WeakPolarHBondContact O-CB 3.44Å; G192-A197 VanDerWaalsContact CA-O 3.31Å; G192-A197 WeakPolarHBondContact CA-O 3.41Å; T194-A197 CarbonylContact O-C 3.43Å; T194-A197 PolarHBondContact O-N 3.09Å; T194-A197 WeakPolarHBondContact OG1-CB 3.44Å; R195-A197 PolarHBondContact O-N 3.12Å; A197-E199 PolarHBondContact O-N 3.03Å; A197-G200 PolarHBondContact O-N 3.22Å
198A76.8Confident92.8Very high68 Ų6846.2 Ų46.256%0.56224%0.237SC*.THydrogen-bonded Turntrans-56.7-28-169.500000114.2T194T194-A198 PolarHBondContact O-N 2.92Å
199E83.8Confident92.8Very high131 Ų13146.2 Ų46.261%0.61224%0.237SC*.THydrogen-bonded Turntrans-78.2-22.2178.3-63-17617100113.4H169 A197 L202H169-E199 IonicContact CE1-OE2 2.86Å; H169-E199 PolarHBondContact CE1-OE2 3.3Å; H169-E199 VanDerWaalsContact CE1-OE2 3.24Å; H169-E199 IonicContact NE2-OE2 3.43Å; H169-E199 PolarHBondContact NE2-OE2 2.75Å; A197-E199 PolarHBondContact O-N 3.03Å; E199-L202 WeakPolarHBondContact O-CG 3.38Å
200G90.7Very high92.8Very high0 Ų047.7 Ų47.70%024%0.244CC..THydrogen-bonded Turntrans47.6-164.2174.700000115.8H169 L190 A197H169-G200 PolarHBondContact ND1-O 3.15Å; L190-G200 WeakPolarHBondContact O-CA 3.36Å; A197-G200 PolarHBondContact O-N 3.22Å
201C96.2Very high92.8Very high0 Ų049.2 Ų49.20%025%0.252CS..THydrogen-bonded Turntrans-110.458.5167.2-67.10000109.5L190 N203 L204L190-C201 PolarHBondContact O-N 2.8Å; C201-N203 PolarHBondContact O-N 3.12Å; C201-L204 HydrophobicContact CB-CD1 4.49Å; C201-L204 WeakPolarHBondContact O-CB 3.24Å; C201-L204 PolarHBondContact O-N 2.93Å; C201-L204 VanDerWaalsContact O-N 3.08Å
202L96.1Very high92.8Very high66 Ų6649.1 Ų49.135%0.34625%0.252SS..THydrogen-bonded Turntrans-70.9-6.5-170-49.6-179000114.4E199 L204 G226E199-L202 WeakPolarHBondContact O-CG 3.38Å; L202-L204 VanDerWaalsContact C-N 3.34Å; L202-G226 WeakPolarHBondContact CD2-O 3.37Å
203N97.1Very high92.8Very high63 Ų6352.6 Ų52.634%0.33726%0.263SS..THydrogen-bonded Turntrans-90.25.5172.9-68.3-47.6000113.8H169 L171 C201 E205 K229H169-N203 PolarHBondContact O-ND2 3.42Å; L171-N203 CarbonylContact O-C 3.21Å; C201-N203 PolarHBondContact O-N 3.12Å; N203-E205 PolarHBondContact O-N 3.31Å; N203-K229 PolarHBondContact OD1-NZ 3.04Å
204L98.4Very high92.9Very high0 Ų054.4 Ų54.40%027%0.269CS..  trans-64.5126.7-179.1-146.477.4000111.2L171 L174 C201 L202 L207 L227 K229 L230L171-L204 HydrophobicContact CB-CD1 4.33Å; L171-L204 HydrophobicContact CD2-CD1 3.99Å; L171-L204 HydrophobicContact CG-CD1 3.96Å; L171-L204 PolarHBondContact O-N 3.47Å; L174-L204 HydrophobicContact CB-CD1 3.91Å; L174-L204 HydrophobicContact CB-CD2 4.32Å; C201-L204 HydrophobicContact CB-CD1 4.49Å; C201-L204 WeakPolarHBondContact O-CB 3.24Å; C201-L204 PolarHBondContact O-N 2.93Å; C201-L204 VanDerWaalsContact O-N 3.08Å; L202-L204 VanDerWaalsContact C-N 3.34Å; L204-L207 HydrophobicContact CD2-CB 3.77Å; L204-L207 HydrophobicContact CD2-CD1 3.95Å; L204-L207 HydrophobicContact CD2-CD2 4.09Å; L204-L207 HydrophobicContact CD2-CG 4.13Å; L204-L227 HydrophobicContact CB-CD2 4.43Å; L204-L227 HydrophobicContact CD2-CD1 4.18Å; L204-K229 CarbonylContact O-C 3.54Å; L204-K229 VanDerWaalsContact O-C 3.32Å; L204-L230 HydrophobicContact CB-CD1 4.5Å; L204-L230 HydrophobicContact CD2-CD1 4.28Å; L204-L230 HydrophobicContact CG-CD1 4.46Å; L204-L230 WeakPolarHBondContact O-CA 3.4Å; L204-L230 PolarHBondContact O-N 3.31Å
205E98.7Very high93.4Very high42 Ų4252.6 Ų52.620%0.19626%0.258CS..  trans-109.7-27.6176.9-67.9-179.4-147.200111.7K172 N203 R231 V232K172-E205 PolarHBondContact O-N 3.06Å; N203-E205 PolarHBondContact O-N 3.31Å; E205-R231 HydrophobicContact CB-CG 4.45Å; E205-R231 WeakPolarHBondContact O-CA 3.5Å; E205-R231 WeakPolarHBondContact O-CB 3.49Å; E205-R231 PolarHBondContact O-N 2.79Å; E205-R231 IonicContact OE2-CZ 3.96Å; E205-R231 IonicContact OE2-NE 3.92Å; E205-R231 IonicContact OE2-NH1 3.72Å; E205-V232 PolarHBondContact O-N 3.25Å
206Y98.9Very high94.1Very high86 Ų8643.3 Ų43.334%0.33723%0.229SC..EExtended strand (participates in β ladder)trans-130.8123-177.9-55.8-98.9000110.2K172 S173 L174 V232K172-Y206 PolarHBondContact O-N 2.82Å; S173-Y206 WeakPolarHBondContact CA-O 3.49Å; L174-Y206 PolarHBondContact N-O 2.85Å; Y206-V232 HydrophobicContact CD1-CB 3.6Å; Y206-V232 HydrophobicContact CD1-CG1 4.4Å; Y206-V232 HydrophobicContact CD1-CG2 3.46Å; Y206-V232 VanDerWaalsContact CD1-CG2 3.46Å; Y206-V232 HydrophobicContact CE1-CB 4.15Å; Y206-V232 HydrophobicContact CE1-CG2 3.45Å; Y206-V232 VanDerWaalsContact CE1-CG2 3.45Å; Y206-V232 HydrophobicContact CG-CB 4.4Å
207L98.9Very high95.1Very high1 Ų141.3 Ų41.31%0.00521%0.212CC..EExtended strand (participates in β ladder)trans-133.2117.1178.5-177.953.1000110.2L174 L204 L209 I223 L227 L230 V232 L233 N234L174-L207 HydrophobicContact CB-CD1 4.31Å; L174-L207 HydrophobicContact CD2-CD1 4.44Å; L174-L207 HydrophobicContact CG-CD1 4.43Å; L174-L207 WeakPolarHBondContact O-CA 3.47Å; L204-L207 HydrophobicContact CD2-CB 3.77Å; L204-L207 HydrophobicContact CD2-CD1 3.95Å; L204-L207 HydrophobicContact CD2-CD2 4.09Å; L204-L207 HydrophobicContact CD2-CG 4.13Å; L207-L209 HydrophobicContact CD1-CD1 4.48Å; L207-L209 HydrophobicContact CD1-CD2 4.04Å; L207-L209 HydrophobicContact CD1-CG 4.04Å; L207-L209 HydrophobicContact CD2-CD1 3.86Å; L207-L209 HydrophobicContact CD2-CG 4.3Å; L207-L209 HydrophobicContact CG-CD1 3.97Å; L207-L209 HydrophobicContact CG-CD2 4.41Å; L207-L209 HydrophobicContact CG-CG 3.88Å; L207-I223 HydrophobicContact CD2-CD1 4.28Å; L207-I223 HydrophobicContact CD2-CG1 4.44Å; L207-L227 HydrophobicContact CD2-CD1 3.75Å; L207-L230 HydrophobicContact CB-CD1 3.64Å; L207-L230 HydrophobicContact CB-CD2 4.31Å; L207-V232 PolarHBondContact N-O 2.88Å; L207-L233 HydrophobicContact CB-CD1 4.24Å; L207-L233 HydrophobicContact CD2-CD1 4.3Å; L207-L233 HydrophobicContact CG-CD1 4.24Å; L207-L233 WeakPolarHBondContact O-CA 3.49Å; L207-N234 PolarHBondContact O-N 2.95Å
208T98.8Very high95.9Very high30 Ų3044.7 Ų44.718%0.18423%0.23CC..EExtended strand (participates in β ladder)trans-107.6118.4173.5-60.50000110L174 N175 L176 R177 Q210 N234L174-T208 PolarHBondContact O-N 2.94Å; N175-T208 WeakPolarHBondContact OD1-CG2 3.31Å; L176-T208 WeakPolarHBondContact CA-O 3.43Å; L176-T208 PolarHBondContact N-O 2.98Å; R177-T208 HydrophobicContact CB-CG2 4.17Å; T208-Q210 HydrophobicContact CG2-CB 4.14Å; T208-N234 HydrophobicContact CG2-CB 4.19Å
209L98.6Very high96.9Very high0 Ų041.5 Ų41.50%020%0.203CC..  trans-122.218.4-179.6-66.6171.4000111.8L176 I187 L207 D211 C212 L215 I223 L233 N234 L235 C238L176-L209 HydrophobicContact CB-CD2 4.14Å; L176-L209 HydrophobicContact CD1-CD2 3.92Å; I187-L209 HydrophobicContact CD1-CD1 3.89Å; I187-L209 HydrophobicContact CD1-CD2 3.63Å; I187-L209 HydrophobicContact CD1-CG 4.42Å; L207-L209 HydrophobicContact CD1-CD1 4.48Å; L207-L209 HydrophobicContact CD1-CD2 4.04Å; L207-L209 HydrophobicContact CD1-CG 4.04Å; L207-L209 HydrophobicContact CD2-CD1 3.86Å; L207-L209 HydrophobicContact CD2-CG 4.3Å; L207-L209 HydrophobicContact CG-CD1 3.97Å; L207-L209 HydrophobicContact CG-CD2 4.41Å; L207-L209 HydrophobicContact CG-CG 3.88Å; L209-D211 PolarHBondContact O-N 3.09Å; L209-C212 WeakPolarHBondContact O-CB 3.48Å; L209-C212 PolarHBondContact O-N 3.25Å; L209-C212 VanDerWaalsContact O-N 3.15Å; L209-C212 PolarHBondContact O-SG 2.91Å; L209-C212 VanDerWaalsContact O-SG 3.42Å; L209-L215 HydrophobicContact CB-CD1 3.74Å; L209-L215 HydrophobicContact CD1-CD1 3.84Å; L209-L215 HydrophobicContact CD2-CD1 4.23Å; L209-L215 HydrophobicContact CG-CD1 4.14Å; L209-I223 HydrophobicContact CD1-CD1 4.09Å; L209-L233 HydrophobicContact CD1-CD1 4.29Å; L209-N234 CarbonylContact C-O 3.52Å; L209-N234 WeakPolarHBondContact CA-O 3.44Å; L209-N234 PolarHBondContact N-O 3.03Å; L209-L235 HydrophobicContact CB-CD2 4.12Å; L209-L235 HydrophobicContact CD1-CD2 3.98Å; L209-C238 PolarHBondContact O-SG 2.95Å
210Q98.5Very high97.6Very high51 Ų5135.2 Ų35.224%0.23817%0.174CC..THydrogen-bonded Turntrans-52.2135.1-179.2169178.29.600111.5R177 S178 T208 C212 N234 S236 F237R177-Q210 CarbonylContact C-O 3.54Å; R177-Q210 VanDerWaalsContact CA-O 3.28Å; R177-Q210 WeakPolarHBondContact CA-O 3.31Å; R177-Q210 HydrophobicContact CB-CB 4.42Å; R177-Q210 HydrophobicContact CG-CB 3.96Å; R177-Q210 HydrophobicContact CG-CG 4.01Å; S178-Q210 PolarHBondContact N-O 3.26Å; T208-Q210 HydrophobicContact CG2-CB 4.14Å; Q210-C212 PolarHBondContact O-N 2.77Å; Q210-N234 PolarHBondContact N-O 3.08Å; Q210-S236 CarbonylContact C-O 3.31Å; Q210-S236 WeakPolarHBondContact CA-O 3.18Å; Q210-S236 WeakPolarHBondContact CB-OG 3.31Å; Q210-S236 WeakPolarHBondContact CG-OG 3.37Å; Q210-F237 HydrophobicContact CG-CD2 4.07Å
211D97.9Very high98Very high32 Ų3239.2 Ų39.217%0.17119%0.191CC..THydrogen-bonded Turntrans58.829.8179.2-176.142.1000113.7S178 R180 L209 Q213 S236 F237S178-D211 WeakPolarHBondContact CB-OD2 3.37Å; S178-D211 PolarHBondContact OG-OD2 2.81Å; R180-D211 IonicContact NE-OD2 2.72Å; R180-D211 IonicContact NH2-OD2 3.63Å; L209-D211 PolarHBondContact O-N 3.09Å; D211-Q213 PolarHBondContact O-N 3.19Å; D211-Q213 PolarHBondContact OD1-NE2 2.73Å; D211-S236 PolarHBondContact N-O 2.97Å; D211-F237 HydrophobicContact CB-CB 4.33Å
212C97.4Very high98.1Very high0 Ų041 Ų410%020%0.199CC..  trans-91.881.7169-71.90000110.4L176 L209 Q210 K214 L215L176-C212 PolarHBondContact O-SG 3.1Å; L209-C212 WeakPolarHBondContact O-CB 3.48Å; L209-C212 PolarHBondContact O-N 3.25Å; L209-C212 VanDerWaalsContact O-N 3.15Å; L209-C212 PolarHBondContact O-SG 2.91Å; L209-C212 VanDerWaalsContact O-SG 3.42Å; Q210-C212 PolarHBondContact O-N 2.77Å; C212-K214 PolarHBondContact O-N 3.49Å; C212-L215 HydrophobicContact CB-CD1 3.5Å; C212-L215 HydrophobicContact CB-CG 3.81Å; C212-L215 WeakPolarHBondContact O-CB 3.44Å; C212-L215 WeakPolarHBondContact O-CG 3.37Å; C212-L215 PolarHBondContact O-N 2.83Å
213Q95.4Very high98.2Very high90 Ų9037.8 Ų37.842%0.42118%0.183SC..THydrogen-bonded Turntrans-64.5-13-168.8-58.6-56.8-26.500116.5D211 F237D211-Q213 PolarHBondContact O-N 3.19Å; D211-Q213 PolarHBondContact OD1-NE2 2.73Å; Q213-F237 PolarHBondContact NE2-O 2.96Å; Q213-F237 PolarHBondContact OE1-O 2.97Å
214K97.9Very high98.2Very high113 Ų11336 Ų3649%0.49118%0.175SC..BIsolated β-bridgetrans-95.28.5178.9-60.3-173.4178-170.50113.6S183 C212S183-K214 WeakPolarHBondContact CB-O 3.36Å; C212-K214 PolarHBondContact O-N 3.49Å
215L98.4Very high98.1Very high0 Ų042.4 Ų42.40%020%0.203CC..  trans-83.9137.1175.1-62.8179.3000110.5I187 L209 C212 L235 G240 I241I187-L215 HydrophobicContact CD1-CD2 4.31Å; I187-L215 HydrophobicContact CG1-CD2 3.6Å; L209-L215 HydrophobicContact CB-CD1 3.74Å; L209-L215 HydrophobicContact CD1-CD1 3.84Å; L209-L215 HydrophobicContact CD2-CD1 4.23Å; L209-L215 HydrophobicContact CG-CD1 4.14Å; C212-L215 HydrophobicContact CB-CD1 3.5Å; C212-L215 HydrophobicContact CB-CG 3.81Å; C212-L215 WeakPolarHBondContact O-CB 3.44Å; C212-L215 WeakPolarHBondContact O-CG 3.37Å; C212-L215 PolarHBondContact O-N 2.83Å; L215-L235 HydrophobicContact CD1-CD2 4.44Å; L215-G240 CarbonylContact O-C 3.41Å; L215-G240 VanDerWaalsContact O-CA 3.25Å; L215-G240 WeakPolarHBondContact O-CA 3.11Å; L215-I241 HydrophobicContact CB-CD1 4.28Å
216T98.6Very high98Very high58 Ų5840.7 Ų40.736%0.35620%0.197SC..  trans-124.9-179.4174.176.90000110.3D184 L218 S219 G240 I241D184-T216 VanDerWaalsContact CG-OG1 3.32Å; D184-T216 PolarHBondContact OD1-N 3.35Å; D184-T216 PolarHBondContact OD1-OG1 3.19Å; D184-T216 WeakPolarHBondContact OD2-CB 3.25Å; D184-T216 PolarHBondContact OD2-OG1 2.98Å; T216-L218 PolarHBondContact O-N 2.61Å; T216-L218 PolarHBondContact OG1-N 2.96Å; T216-S219 WeakPolarHBondContact O-CB 3.49Å; T216-S219 PolarHBondContact O-N 2.95Å; T216-S219 PolarHBondContact O-OG 2.77Å; T216-G240 WeakPolarHBondContact CA-O 3.44Å; T216-I241 VanDerWaalsContact C-CD1 3.46Å; T216-I241 VanDerWaalsContact O-CD1 3.27Å; T216-I241 WeakPolarHBondContact O-CD1 3.49Å
217D98.6Very high97.9Very high32 Ų3236.6 Ų36.617%0.17118%0.181CC..Hα-helixtrans-55.2-23.1176.2-62.8-26.3000113.5S219 L220 K221 S242 G245D217-S219 VanDerWaalsContact C-N 3.3Å; D217-S219 PolarHBondContact O-N 2.93Å; D217-L220 PolarHBondContact O-N 3Å; D217-L220 VanDerWaalsContact O-N 3.15Å; D217-K221 PolarHBondContact O-N 2.95Å; D217-K221 VanDerWaalsContact O-N 3.11Å; D217-S242 PolarHBondContact OD1-N 2.91Å; D217-S242 PolarHBondContact OD2-OG 3.28Å; D217-G245 VanDerWaalsContact CG-CA 3.4Å; D217-G245 WeakPolarHBondContact OD1-CA 3.19Å; D217-G245 PolarHBondContact OD1-N 3.41Å; D217-G245 PolarHBondContact OD2-N 3.46Å
218L98.5Very high97.7Very high76 Ų7640.7 Ų40.740%0.39821%0.206SC..Hα-helixtrans-62.3-36.4173.5-177.760.8000112.1D184 T216 L220 K221 H222D184-L218 HydrophobicContact CB-CB 4.12Å; D184-L218 HydrophobicContact CB-CD2 4.03Å; D184-L218 HydrophobicContact CB-CG 4.09Å; T216-L218 PolarHBondContact O-N 2.61Å; T216-L218 PolarHBondContact OG1-N 2.96Å; L218-L220 VanDerWaalsContact C-N 3.28Å; L218-L220 PolarHBondContact O-N 3.37Å; L218-K221 HydrophobicContact CD1-CB 4.5Å; L218-K221 HydrophobicContact CD1-CD 4.19Å; L218-K221 WeakPolarHBondContact O-CB 3.28Å; L218-K221 PolarHBondContact O-N 3.42Å; L218-H222 PolarHBondContact O-CD2 2.91Å; L218-H222 PolarHBondContact O-N 3.11Å
219S98.4Very high97.7Very high0 Ų044.3 Ų44.30%022%0.219CC..Hα-helixtrans-59.3-40173.264.30000111.9D184 T216 D217 H222 I223D184-S219 WeakPolarHBondContact OD1-CB 3.28Å; D184-S219 PolarHBondContact OD1-N 3.29Å; D184-S219 VanDerWaalsContact OD1-N 3.15Å; T216-S219 WeakPolarHBondContact O-CB 3.49Å; T216-S219 PolarHBondContact O-N 2.95Å; T216-S219 PolarHBondContact O-OG 2.77Å; D217-S219 VanDerWaalsContact C-N 3.3Å; D217-S219 PolarHBondContact O-N 2.93Å; S219-H222 PolarHBondContact O-N 2.96Å; S219-I223 VanDerWaalsContact O-CG1 3.27Å; S219-I223 WeakPolarHBondContact O-CG1 3.48Å; S219-I223 PolarHBondContact O-N 3.49Å
220L98.5Very high97.7Very high0 Ų044.3 Ų44.30%022%0.219CC..Hα-helixtrans-69-36.1179-54.2-170.1000111.7D217 L218 H222 I223 S224 L235 I241 M246 H248 L249D217-L220 PolarHBondContact O-N 3Å; D217-L220 VanDerWaalsContact O-N 3.15Å; L218-L220 VanDerWaalsContact C-N 3.28Å; L218-L220 PolarHBondContact O-N 3.37Å; L220-H222 VanDerWaalsContact C-N 3.32Å; L220-H222 PolarHBondContact O-N 3.16Å; L220-I223 HydrophobicContact CD2-CD1 4.21Å; L220-I223 PolarHBondContact O-N 2.83Å; L220-S224 WeakPolarHBondContact O-CB 3.38Å; L220-S224 PolarHBondContact O-N 2.9Å; L220-S224 PolarHBondContact O-OG 3.43Å; L220-L235 HydrophobicContact CD2-CD1 3.55Å; L220-L235 HydrophobicContact CD2-CD2 4.17Å; L220-I241 HydrophobicContact CD1-CD1 4.25Å; L220-I241 HydrophobicContact CD1-CG2 3.7Å; L220-I241 HydrophobicContact CD2-CD1 4.23Å; L220-I241 HydrophobicContact CG-CD1 4.04Å; L220-M246 HydrophobicContact CD1-CE 3.25Å; L220-H248 HydrophobicContact CB-CB 4.25Å; L220-L249 HydrophobicContact CB-CD2 4.17Å; L220-L249 HydrophobicContact CB-CG 4.35Å; L220-L249 HydrophobicContact CD1-CD1 4.07Å; L220-L249 HydrophobicContact CD1-CG 4.28Å; L220-L249 HydrophobicContact CD2-CD1 4.29Å; L220-L249 HydrophobicContact CD2-CD2 4.34Å
221K98.3Very high97.7Very high84 Ų8447.5 Ų47.537%0.36523%0.229SC..Hα-helixtrans-60.7-40.8170.4-171.5177.8178.5176.80112D217 L218 S224 K225D217-K221 PolarHBondContact O-N 2.95Å; D217-K221 VanDerWaalsContact O-N 3.11Å; L218-K221 HydrophobicContact CD1-CB 4.5Å; L218-K221 HydrophobicContact CD1-CD 4.19Å; L218-K221 WeakPolarHBondContact O-CB 3.28Å; L218-K221 PolarHBondContact O-N 3.42Å; K221-S224 PolarHBondContact O-OG 2.78Å; K221-K225 WeakPolarHBondContact O-CG 3.04Å; K221-K225 PolarHBondContact O-N 2.83Å
222H98.3Very high97.7Very high36 Ų3647.5 Ų47.517%0.16723%0.23CC..Hα-helixtrans-68.8-46.8176.3-68.8-38.1000111.7D184 I187 A191 M193 L218 S219 L220 S224 K225 G226D184-H222 PolarHBondContact O-CD2 3.05Å; I187-H222 HydrophobicContact CG2-CB 4.25Å; A191-H222 HydrophobicContact CB-CB 4.09Å; A191-H222 VanDerWaalsContact CB-O 3.31Å; A191-H222 WeakPolarHBondContact CB-O 3.15Å; M193-H222 HydrophobicContact CG-CB 3.99Å; M193-H222 WeakPolarHBondContact CG-ND1 3.26Å; L218-H222 PolarHBondContact O-CD2 2.91Å; L218-H222 PolarHBondContact O-N 3.11Å; S219-H222 PolarHBondContact O-N 2.96Å; L220-H222 VanDerWaalsContact C-N 3.32Å; L220-H222 PolarHBondContact O-N 3.16Å; H222-S224 PolarHBondContact O-N 2.97Å; H222-K225 PolarHBondContact O-N 3.01Å; H222-G226 PolarHBondContact O-N 2.92Å
223I98.3Very high97.8Very high0 Ų047.5 Ų47.50%023%0.23CC..Hα-helixtrans-56.5-51.2178.5-71.6165.3000110.8I187 L207 L209 S219 L220 K225 G226 L227 L230 L233 L249 M252I187-I223 HydrophobicContact CG2-CD1 3.97Å; I187-I223 HydrophobicContact CG2-CG1 3.54Å; L207-I223 HydrophobicContact CD2-CD1 4.28Å; L207-I223 HydrophobicContact CD2-CG1 4.44Å; L209-I223 HydrophobicContact CD1-CD1 4.09Å; S219-I223 VanDerWaalsContact O-CG1 3.27Å; S219-I223 WeakPolarHBondContact O-CG1 3.48Å; S219-I223 PolarHBondContact O-N 3.49Å; L220-I223 HydrophobicContact CD2-CD1 4.21Å; L220-I223 PolarHBondContact O-N 2.83Å; I223-K225 VanDerWaalsContact C-N 3.29Å; I223-K225 PolarHBondContact O-N 2.71Å; I223-G226 PolarHBondContact O-N 3.29Å; I223-L227 HydrophobicContact CG1-CD1 4.12Å; I223-L227 HydrophobicContact CG2-CB 4.38Å; I223-L227 HydrophobicContact CG2-CD1 4.43Å; I223-L227 WeakPolarHBondContact O-CA 3.27Å; I223-L227 WeakPolarHBondContact O-CB 3.17Å; I223-L227 PolarHBondContact O-N 3.4Å; I223-L230 HydrophobicContact CG2-CD2 3.74Å; I223-L233 HydrophobicContact CD1-CD1 4.27Å; I223-L233 HydrophobicContact CD1-CD2 4.37Å; I223-L233 HydrophobicContact CG2-CD2 4.31Å; I223-L249 HydrophobicContact CG2-CD2 4.47Å; I223-M252 HydrophobicContact CG2-CE 3.87Å; I223-M252 HydrophobicContact CG2-SD 4.09Å
224S97.1Very high97.9Very high26 Ų2644.6 Ų44.618%0.18222%0.217CC..Hα-helixtrans-61.9-33.4-178.355.80000114L220 K221 H222 H248L220-S224 WeakPolarHBondContact O-CB 3.38Å; L220-S224 PolarHBondContact O-N 2.9Å; L220-S224 PolarHBondContact O-OG 3.43Å; K221-S224 PolarHBondContact O-OG 2.78Å; H222-S224 PolarHBondContact O-N 2.97Å; S224-H248 WeakPolarHBondContact CB-O 3.4Å
225K96.1Very high98Very high133 Ų13339.2 Ų39.258%0.57819%0.194SC*.Hα-helixtrans-81.2-40.9179.5-72.6-173.1175.5-159.80113.6M193 K221 H222 I223M193-K225 HydrophobicContact CE-CB 4.02Å; M193-K225 HydrophobicContact SD-CB 3.92Å; M193-K225 HydrophobicContact SD-CD 4.38Å; K221-K225 WeakPolarHBondContact O-CG 3.04Å; K221-K225 PolarHBondContact O-N 2.83Å; H222-K225 PolarHBondContact O-N 3.01Å; I223-K225 VanDerWaalsContact C-N 3.29Å; I223-K225 PolarHBondContact O-N 2.71Å
226G96.1Very high98Very high7 Ų739.3 Ų39.37%0.07220%0.195CC..Hα-helixtrans-97-48.5-17300000114A191 L202 H222 I223 T228A191-G226 VanDerWaalsContact O-CA 3.28Å; A191-G226 WeakPolarHBondContact O-CA 3.39Å; L202-G226 WeakPolarHBondContact CD2-O 3.37Å; H222-G226 PolarHBondContact O-N 2.92Å; I223-G226 PolarHBondContact O-N 3.29Å; G226-T228 PolarHBondContact O-N 3.42Å
227L97.3Very high98Very high0 Ų040.3 Ų40.30%019%0.194CC..  trans-88.755.9-170.4-52.8-175.1000111.3A191 L204 L207 I223 K229 L230A191-L227 HydrophobicContact CB-CD2 4.43Å; A191-L227 HydrophobicContact CB-CG 4.27Å; L204-L227 HydrophobicContact CB-CD2 4.43Å; L204-L227 HydrophobicContact CD2-CD1 4.18Å; L207-L227 HydrophobicContact CD2-CD1 3.75Å; I223-L227 HydrophobicContact CG1-CD1 4.12Å; I223-L227 HydrophobicContact CG2-CB 4.38Å; I223-L227 HydrophobicContact CG2-CD1 4.43Å; I223-L227 WeakPolarHBondContact O-CA 3.27Å; I223-L227 WeakPolarHBondContact O-CB 3.17Å; I223-L227 PolarHBondContact O-N 3.4Å; L227-K229 PolarHBondContact O-N 3.21Å; L227-K229 VanDerWaalsContact O-N 3.17Å; L227-L230 HydrophobicContact CB-CB 4.19Å; L227-L230 WeakPolarHBondContact O-CB 3.19Å; L227-L230 PolarHBondContact O-N 3.15Å
228T95.5Very high97.9Very high86 Ų8638.8 Ų38.853%0.52819%0.186SC..THydrogen-bonded Turntrans-68.9-13.6-172.756.70000114.2G226 S254G226-T228 PolarHBondContact O-N 3.42Å; T228-S254 VanDerWaalsContact O-CB 3.29Å; T228-S254 WeakPolarHBondContact O-CB 3.41Å; T228-S254 PolarHBondContact O-OG 2.99Å
229K97.5Very high97.8Very high106 Ų10636.2 Ų36.246%0.46118%0.178SC..THydrogen-bonded Turntrans-92.20.1173.2-66-175.4-176.51760113.7N203 L204 L227 R231N203-K229 PolarHBondContact OD1-NZ 3.04Å; L204-K229 CarbonylContact O-C 3.54Å; L204-K229 VanDerWaalsContact O-C 3.32Å; L227-K229 PolarHBondContact O-N 3.21Å; L227-K229 VanDerWaalsContact O-N 3.17Å; K229-R231 PolarHBondContact O-N 3.14Å
230L98.4Very high97.7Very high0 Ų037.7 Ų37.70%019%0.194CC..  trans-65.7124.7-174.4-166.372.7000111.1L204 L207 I223 L227 L233 M252 S254 L255L204-L230 HydrophobicContact CB-CD1 4.5Å; L204-L230 HydrophobicContact CD2-CD1 4.28Å; L204-L230 HydrophobicContact CG-CD1 4.46Å; L204-L230 WeakPolarHBondContact O-CA 3.4Å; L204-L230 PolarHBondContact O-N 3.31Å; L207-L230 HydrophobicContact CB-CD1 3.64Å; L207-L230 HydrophobicContact CB-CD2 4.31Å; I223-L230 HydrophobicContact CG2-CD2 3.74Å; L227-L230 HydrophobicContact CB-CB 4.19Å; L227-L230 WeakPolarHBondContact O-CB 3.19Å; L227-L230 PolarHBondContact O-N 3.15Å; L230-L233 HydrophobicContact CD2-CB 3.94Å; L230-L233 HydrophobicContact CD2-CD1 4.13Å; L230-L233 HydrophobicContact CD2-CD2 4.27Å; L230-L233 HydrophobicContact CD2-CG 4.33Å; L230-M252 HydrophobicContact CB-CE 4.05Å; L230-M252 HydrophobicContact CD2-CE 4.36Å; L230-S254 CarbonylContact O-C 3.3Å; L230-S254 VanDerWaalsContact O-C 3.3Å; L230-S254 PolarHBondContact O-OG 3.4Å; L230-L255 HydrophobicContact CD2-CD1 4.31Å; L230-L255 HydrophobicContact CG-CD1 4.3Å; L230-L255 WeakPolarHBondContact O-CA 3.2Å; L230-L255 PolarHBondContact O-N 2.95Å
231R98.4Very high97.7Very high119 Ų11937.7 Ų37.745%0.44919%0.194SC..  trans-100.4-51.3179.5-62.3-179.9173.7-175.7-5.1110.1E205 K229 S254 L255 W256 S257E205-R231 HydrophobicContact CB-CG 4.45Å; E205-R231 WeakPolarHBondContact O-CA 3.5Å; E205-R231 WeakPolarHBondContact O-CB 3.49Å; E205-R231 PolarHBondContact O-N 2.79Å; E205-R231 IonicContact OE2-CZ 3.96Å; E205-R231 IonicContact OE2-NE 3.92Å; E205-R231 IonicContact OE2-NH1 3.72Å; K229-R231 PolarHBondContact O-N 3.14Å; R231-S254 WeakPolarHBondContact CA-O 3.13Å; R231-L255 WeakPolarHBondContact O-CA 3.45Å; R231-L255 WeakPolarHBondContact O-CD1 3.49Å; R231-W256 PolarHBondContact O-N 3.3Å; R231-S257 PolarHBondContact O-N 3.08Å; R231-S257 VanDerWaalsContact O-N 3.16Å
232V98.8Very high97.7Very high31 Ų3135.2 Ų35.219%0.18819%0.186CC..EExtended strand (participates in β ladder)trans-112.8125-176.4-176.50000110.2E205 Y206 L207 S257E205-V232 PolarHBondContact O-N 3.25Å; Y206-V232 HydrophobicContact CD1-CB 3.6Å; Y206-V232 HydrophobicContact CD1-CG1 4.4Å; Y206-V232 HydrophobicContact CD1-CG2 3.46Å; Y206-V232 VanDerWaalsContact CD1-CG2 3.46Å; Y206-V232 HydrophobicContact CE1-CB 4.15Å; Y206-V232 HydrophobicContact CE1-CG2 3.45Å; Y206-V232 VanDerWaalsContact CE1-CG2 3.45Å; Y206-V232 HydrophobicContact CG-CB 4.4Å; L207-V232 PolarHBondContact N-O 2.88Å; V232-S257 WeakPolarHBondContact CA-O 3.2Å
233L98.9Very high97.8Very high0 Ų034.9 Ų34.90%019%0.186CC..EExtended strand (participates in β ladder)trans-125.6121.6174-179.655.6000109.8L207 L209 I223 L230 L235 L249 L255 S257 L258 N259L207-L233 HydrophobicContact CB-CD1 4.24Å; L207-L233 HydrophobicContact CD2-CD1 4.3Å; L207-L233 HydrophobicContact CG-CD1 4.24Å; L207-L233 WeakPolarHBondContact O-CA 3.49Å; L209-L233 HydrophobicContact CD1-CD1 4.29Å; I223-L233 HydrophobicContact CD1-CD1 4.27Å; I223-L233 HydrophobicContact CD1-CD2 4.37Å; I223-L233 HydrophobicContact CG2-CD2 4.31Å; L230-L233 HydrophobicContact CD2-CB 3.94Å; L230-L233 HydrophobicContact CD2-CD1 4.13Å; L230-L233 HydrophobicContact CD2-CD2 4.27Å; L230-L233 HydrophobicContact CD2-CG 4.33Å; L233-L235 HydrophobicContact CD1-CD1 4.45Å; L233-L235 HydrophobicContact CD1-CD2 4.29Å; L233-L235 HydrophobicContact CD1-CG 4.04Å; L233-L235 HydrophobicContact CD2-CD1 3.75Å; L233-L235 HydrophobicContact CD2-CG 4.25Å; L233-L235 HydrophobicContact CG-CD1 3.91Å; L233-L235 HydrophobicContact CG-CG 3.91Å; L233-L249 HydrophobicContact CD2-CD1 4.2Å; L233-L249 HydrophobicContact CD2-CD2 4.18Å; L233-L255 HydrophobicContact CB-CD1 3.78Å; L233-S257 PolarHBondContact N-O 3.46Å; L233-L258 HydrophobicContact CB-CD1 4.14Å; L233-L258 HydrophobicContact CD2-CD1 4.17Å; L233-L258 HydrophobicContact CG-CD1 4.16Å; L233-L258 WeakPolarHBondContact O-CA 3.39Å; L233-N259 PolarHBondContact O-N 3.23Å
234N98.8Very high97.7Very high29 Ų2937.6 Ų37.616%0.15521%0.208CC..EExtended strand (participates in β ladder)trans-113.5113.7173.2-179.1-6.5000110.1L207 T208 L209 Q210 S236 N259L207-N234 PolarHBondContact O-N 2.95Å; T208-N234 HydrophobicContact CG2-CB 4.19Å; L209-N234 CarbonylContact C-O 3.52Å; L209-N234 WeakPolarHBondContact CA-O 3.44Å; L209-N234 PolarHBondContact N-O 3.03Å; Q210-N234 PolarHBondContact N-O 3.08Å; N234-S236 WeakPolarHBondContact OD1-CB 3.18Å; N234-S236 PolarHBondContact OD1-N 3.42Å; N234-S236 PolarHBondContact OD1-OG 3.27Å; N234-N259 HydrophobicContact CB-CB 4.26Å
235L98.7Very high97.8Very high0 Ų036.3 Ų36.30%020%0.2CC..  trans-116.216179.4-68.8161.7000111.7L209 L215 L220 L233 F237 C238 L249 L258 N259 L260 C263L209-L235 HydrophobicContact CB-CD2 4.12Å; L209-L235 HydrophobicContact CD1-CD2 3.98Å; L215-L235 HydrophobicContact CD1-CD2 4.44Å; L220-L235 HydrophobicContact CD2-CD1 3.55Å; L220-L235 HydrophobicContact CD2-CD2 4.17Å; L233-L235 HydrophobicContact CD1-CD1 4.45Å; L233-L235 HydrophobicContact CD1-CD2 4.29Å; L233-L235 HydrophobicContact CD1-CG 4.04Å; L233-L235 HydrophobicContact CD2-CD1 3.75Å; L233-L235 HydrophobicContact CD2-CG 4.25Å; L233-L235 HydrophobicContact CG-CD1 3.91Å; L233-L235 HydrophobicContact CG-CG 3.91Å; L235-F237 PolarHBondContact O-N 2.74Å; L235-C238 WeakPolarHBondContact O-CB 3.41Å; L235-C238 PolarHBondContact O-N 2.98Å; L235-C238 VanDerWaalsContact O-N 3.14Å; L235-C238 PolarHBondContact O-SG 3.4Å; L235-L249 HydrophobicContact CD1-CD1 4.5Å; L235-L258 HydrophobicContact CD1-CD1 4.31Å; L235-N259 WeakPolarHBondContact CA-O 3.36Å; L235-N259 PolarHBondContact N-O 3.42Å; L235-L260 HydrophobicContact CB-CD2 4.19Å; L235-L260 HydrophobicContact CD1-CD2 3.96Å; L235-C263 PolarHBondContact O-SG 2.79Å
236S98.5Very high97.8Very high3 Ų330 Ų302%0.02117%0.172CC..THydrogen-bonded Turntrans-55.1143.2-176.853.30000112.2Q210 D211 N234 C238 N259 R261Q210-S236 CarbonylContact C-O 3.31Å; Q210-S236 WeakPolarHBondContact CA-O 3.18Å; Q210-S236 WeakPolarHBondContact CB-OG 3.31Å; Q210-S236 WeakPolarHBondContact CG-OG 3.37Å; D211-S236 PolarHBondContact N-O 2.97Å; N234-S236 WeakPolarHBondContact OD1-CB 3.18Å; N234-S236 PolarHBondContact OD1-N 3.42Å; N234-S236 PolarHBondContact OD1-OG 3.27Å; S236-C238 PolarHBondContact O-N 3.21Å; S236-N259 WeakPolarHBondContact CB-OD1 3.44Å; S236-N259 PolarHBondContact N-O 2.94Å; S236-R261 CarbonylContact C-O 3.32Å; S236-R261 WeakPolarHBondContact CA-O 3.3Å; S236-R261 VanDerWaalsContact CB-O 3.31Å; S236-R261 WeakPolarHBondContact CB-O 3.42Å
237F98.3Very high97.8Very high78 Ų7833.4 Ų33.434%0.34219%0.188SC..THydrogen-bonded Turntrans61.521-176.8-54.6-90.6000114.6Q210 D211 Q213 L235 G239 R261 S262Q210-F237 HydrophobicContact CG-CD2 4.07Å; D211-F237 HydrophobicContact CB-CB 4.33Å; Q213-F237 PolarHBondContact NE2-O 2.96Å; Q213-F237 PolarHBondContact OE1-O 2.97Å; L235-F237 PolarHBondContact O-N 2.74Å; F237-G239 PolarHBondContact O-N 3.06Å; F237-R261 PolarHBondContact N-O 2.79Å; F237-S262 WeakPolarHBondContact CA-O 3.28Å
238C97.9Very high97.8Very high0 Ų036.4 Ų36.40%020%0.202CC..  trans-91.889.7174.4-69.20000111L209 L235 S236 G240 I241L209-C238 PolarHBondContact O-SG 2.95Å; L235-C238 WeakPolarHBondContact O-CB 3.41Å; L235-C238 PolarHBondContact O-N 2.98Å; L235-C238 VanDerWaalsContact O-N 3.14Å; L235-C238 PolarHBondContact O-SG 3.4Å; S236-C238 PolarHBondContact O-N 3.21Å; C238-G240 PolarHBondContact O-N 3.23Å; C238-I241 HydrophobicContact CB-CG1 3.77Å; C238-I241 PolarHBondContact O-N 3.35Å
239G95.7Very high97.9Very high23 Ų2332.3 Ų32.324%0.23718%0.177CC..THydrogen-bonded Turntrans-65-19.7-174.200000115.7F237 I241 N265F237-G239 PolarHBondContact O-N 3.06Å; G239-I241 VanDerWaalsContact C-N 3.33Å; G239-N265 PolarHBondContact O-ND2 2.96Å
240G97.3Very high97.8Very high31 Ų3127.5 Ų27.532%0.3216%0.156SC..THydrogen-bonded Turntrans-81.9-5.8177.800000115L215 T216 C238L215-G240 CarbonylContact O-C 3.41Å; L215-G240 VanDerWaalsContact O-CA 3.25Å; L215-G240 WeakPolarHBondContact O-CA 3.11Å; T216-G240 WeakPolarHBondContact CA-O 3.44Å; C238-G240 PolarHBondContact O-N 3.23Å
241I98.3Very high97.6Very high0 Ų033.3 Ų33.30%018%0.183CC..  trans-87.3130.8177.6-58.4-57.2000110.1L215 T216 L220 C238 G239 M246 N265 I266L215-I241 HydrophobicContact CB-CD1 4.28Å; T216-I241 VanDerWaalsContact C-CD1 3.46Å; T216-I241 VanDerWaalsContact O-CD1 3.27Å; T216-I241 WeakPolarHBondContact O-CD1 3.49Å; L220-I241 HydrophobicContact CD1-CD1 4.25Å; L220-I241 HydrophobicContact CD1-CG2 3.7Å; L220-I241 HydrophobicContact CD2-CD1 4.23Å; L220-I241 HydrophobicContact CG-CD1 4.04Å; C238-I241 HydrophobicContact CB-CG1 3.77Å; C238-I241 PolarHBondContact O-N 3.35Å; G239-I241 VanDerWaalsContact C-N 3.33Å; I241-M246 HydrophobicContact CG2-CE 3.52Å; I241-N265 WeakPolarHBondContact O-CB 3.33Å; I241-I266 HydrophobicContact CG2-CD1 4.31Å
242S98.4Very high97.4Very high31 Ų3128.1 Ų28.122%0.21716%0.164CC..BIsolated β-bridgetrans-128.3175.5-175.990.30000113.3D217 A244 G245 N265 I266D217-S242 PolarHBondContact OD1-N 2.91Å; D217-S242 PolarHBondContact OD2-OG 3.28Å; S242-A244 PolarHBondContact O-N 3.17Å; S242-A244 PolarHBondContact OG-N 3.49Å; S242-G245 PolarHBondContact O-N 2.57Å; S242-G245 VanDerWaalsContact O-N 3.09Å; S242-N265 WeakPolarHBondContact CA-O 3.27Å; S242-I266 VanDerWaalsContact C-CD1 3.42Å; S242-I266 WeakPolarHBondContact O-CD1 3.49Å
243D98.4Very high97.2Very high29 Ų2931.5 Ų31.516%0.15519%0.185CC..Hα-helixtrans-54.2-32.4175.5-67.1-27.8000113.4G245 M246 N265 I266 S267 T269 G270 H273D243-G245 VanDerWaalsContact C-N 3.33Å; D243-G245 PolarHBondContact O-N 3.42Å; D243-M246 WeakPolarHBondContact O-CB 3.21Å; D243-M246 PolarHBondContact O-N 3.09Å; D243-N265 PolarHBondContact N-O 2.79Å; D243-I266 WeakPolarHBondContact OD1-CA 3.25Å; D243-S267 PolarHBondContact OD1-N 3.09Å; D243-S267 WeakPolarHBondContact OD2-CB 3.4Å; D243-S267 PolarHBondContact OD2-OG 3.48Å; D243-T269 HydrophobicContact CB-CG2 4.45Å; D243-G270 WeakPolarHBondContact OD1-CA 3.33Å; D243-G270 PolarHBondContact OD1-N 3.49Å; D243-H273 PolarHBondContact O-ND1 3.14Å; D243-H273 VanDerWaalsContact O-ND1 3.07Å
244A98Very high97Very high57 Ų5733.1 Ų33.147%0.47120%0.197SC..Hα-helixtrans-66.9-35.2179.800000111.9S242 M246S242-A244 PolarHBondContact O-N 3.17Å; S242-A244 PolarHBondContact OG-N 3.49Å; A244-M246 VanDerWaalsContact C-N 3.3Å; A244-M246 PolarHBondContact O-N 3.38Å
245G97.4Very high97Very high0 Ų031.8 Ų31.80%019%0.189CC..Hα-helixtrans-70-25.1177.300000113.8D217 S242 D243 I247 H248D217-G245 VanDerWaalsContact CG-CA 3.4Å; D217-G245 WeakPolarHBondContact OD1-CA 3.19Å; D217-G245 PolarHBondContact OD1-N 3.41Å; D217-G245 PolarHBondContact OD2-N 3.46Å; S242-G245 PolarHBondContact O-N 2.57Å; S242-G245 VanDerWaalsContact O-N 3.09Å; D243-G245 VanDerWaalsContact C-N 3.33Å; D243-G245 PolarHBondContact O-N 3.42Å; G245-I247 PolarHBondContact O-N 3.32Å; G245-H248 WeakPolarHBondContact O-CB 3.44Å; G245-H248 PolarHBondContact O-N 3.03Å; G245-H248 VanDerWaalsContact O-N 3.07Å
246M97.6Very high96.9Very high0 Ų037.9 Ų37.90%021%0.212CC..Hα-helixtrans-63.6-29.3-178.5-65.6-58.599.200113L220 I241 D243 A244 H248 L249 S250 L260 I266 G270 H273 L274L220-M246 HydrophobicContact CD1-CE 3.25Å; I241-M246 HydrophobicContact CG2-CE 3.52Å; D243-M246 WeakPolarHBondContact O-CB 3.21Å; D243-M246 PolarHBondContact O-N 3.09Å; A244-M246 VanDerWaalsContact C-N 3.3Å; A244-M246 PolarHBondContact O-N 3.38Å; M246-H248 PolarHBondContact O-N 2.88Å; M246-L249 HydrophobicContact CE-CD1 4.17Å; M246-L249 PolarHBondContact O-N 3.27Å; M246-L249 HydrophobicContact SD-CD1 4.44Å; M246-S250 PolarHBondContact O-N 3.33Å; M246-L260 HydrophobicContact CE-CD2 4.03Å; M246-L260 HydrophobicContact SD-CD1 3.68Å; M246-L260 HydrophobicContact SD-CD2 4.18Å; M246-I266 HydrophobicContact CE-CD1 3.97Å; M246-I266 HydrophobicContact CG-CD1 3.87Å; M246-I266 HydrophobicContact SD-CD1 4.08Å; M246-G270 WeakPolarHBondContact CB-O 3.43Å; M246-H273 HydrophobicContact CB-CB 4.11Å; M246-L274 HydrophobicContact CB-CD2 4.02Å; M246-L274 HydrophobicContact CB-CG 4.11Å; M246-L274 HydrophobicContact CG-CD2 4.5Å; M246-L274 HydrophobicContact CG-CG 4.39Å; M246-L274 HydrophobicContact SD-CD1 4.02Å; M246-L274 HydrophobicContact SD-CD2 4.02Å; M246-L274 HydrophobicContact SD-CG 4.19Å
247I96.5Very high96.9Very high78 Ų7839.6 Ų39.640%0.422%0.224SC..Hα-helixtrans-57.4-31.7175.3-60.6171000111.1G245 S250 H273G245-I247 PolarHBondContact O-N 3.32Å; I247-S250 PolarHBondContact O-OG 3.12Å; I247-H273 HydrophobicContact CG1-CB 3.86Å; I247-H273 VanDerWaalsContact CG1-CG 3.44Å
248H97.2Very high96.9Very high64 Ų6435.9 Ų35.930%0.29621%0.208SC..Hα-helixtrans-71.2-33.4178.9-64.3-43.7000112.5L220 S224 G245 M246L220-H248 HydrophobicContact CB-CB 4.25Å; S224-H248 WeakPolarHBondContact CB-O 3.4Å; G245-H248 WeakPolarHBondContact O-CB 3.44Å; G245-H248 PolarHBondContact O-N 3.03Å; G245-H248 VanDerWaalsContact O-N 3.07Å; M246-H248 PolarHBondContact O-N 2.88Å
249L96.9Very high96.9Very high0 Ų037.5 Ų37.50%022%0.217CC..Hα-helixtrans-80.9-21.1180-56.4-176.6000112.5L220 I223 L233 L235 M246 H251 M252 L258 L274 L279L220-L249 HydrophobicContact CB-CD2 4.17Å; L220-L249 HydrophobicContact CB-CG 4.35Å; L220-L249 HydrophobicContact CD1-CD1 4.07Å; L220-L249 HydrophobicContact CD1-CG 4.28Å; L220-L249 HydrophobicContact CD2-CD1 4.29Å; L220-L249 HydrophobicContact CD2-CD2 4.34Å; I223-L249 HydrophobicContact CG2-CD2 4.47Å; L233-L249 HydrophobicContact CD2-CD1 4.2Å; L233-L249 HydrophobicContact CD2-CD2 4.18Å; L235-L249 HydrophobicContact CD1-CD1 4.5Å; M246-L249 HydrophobicContact CE-CD1 4.17Å; M246-L249 PolarHBondContact O-N 3.27Å; M246-L249 HydrophobicContact SD-CD1 4.44Å; L249-H251 PolarHBondContact O-N 3.41Å; L249-M252 HydrophobicContact CD2-SD 3.48Å; L249-M252 WeakPolarHBondContact CD2-SD 3.22Å; L249-M252 WeakPolarHBondContact O-CB 3.21Å; L249-M252 PolarHBondContact O-N 3.29Å; L249-L258 HydrophobicContact CD1-CD1 4.19Å; L249-L258 HydrophobicContact CD1-CD2 4.16Å; L249-L274 HydrophobicContact CB-CD2 4Å; L249-L279 WeakPolarHBondContact O-CD1 3.46Å; L249-L279 WeakPolarHBondContact O-CD2 3.43Å; L249-L279 WeakPolarHBondContact O-CG 3.18Å
250S95.2Very high97.1Very high5 Ų536.4 Ų36.44%0.03521%0.206CC..THydrogen-bonded Turntrans-57.2-21.8-17274.30000114.7M246 I247 H273 G277 T278 L279M246-S250 PolarHBondContact O-N 3.33Å; I247-S250 PolarHBondContact O-OG 3.12Å; S250-H273 WeakPolarHBondContact CB-O 3.41Å; S250-G277 CarbonylContact O-C 3.46Å; S250-G277 VanDerWaalsContact O-CA 3.3Å; S250-G277 WeakPolarHBondContact O-CA 3.46Å; S250-T278 PolarHBondContact O-N 3.41Å; S250-L279 WeakPolarHBondContact O-CG 3.49Å; S250-L279 PolarHBondContact O-N 3.46Å; S250-L279 VanDerWaalsContact O-N 3.11Å
251H93.4Very high97.1Very high121 Ų12138.7 Ų38.756%0.5621%0.205SC*.THydrogen-bonded Turntrans-106.95.8-179.2-60.8-65.1000114.5L249 T253 T278L249-H251 PolarHBondContact O-N 3.41Å; H251-T253 PolarHBondContact O-N 2.87Å; H251-T278 WeakPolarHBondContact CA-OG1 3.46Å
252M95.4Very high97.1Very high10 Ų1039.6 Ų39.65%0.04921%0.211CC..  trans-79.384.1-179.3-67.4-174.168.400111.7I223 L230 L249 S254 L255 L279I223-M252 HydrophobicContact CG2-CE 3.87Å; I223-M252 HydrophobicContact CG2-SD 4.09Å; L230-M252 HydrophobicContact CB-CE 4.05Å; L230-M252 HydrophobicContact CD2-CE 4.36Å; L249-M252 HydrophobicContact CD2-SD 3.48Å; L249-M252 WeakPolarHBondContact CD2-SD 3.22Å; L249-M252 WeakPolarHBondContact O-CB 3.21Å; L249-M252 PolarHBondContact O-N 3.29Å; M252-S254 PolarHBondContact O-N 2.58Å; M252-S254 VanDerWaalsContact O-N 3.15Å; M252-L255 HydrophobicContact CB-CB 3.99Å; M252-L255 WeakPolarHBondContact O-CB 3.39Å; M252-L255 PolarHBondContact O-N 2.75Å; M252-L279 HydrophobicContact CB-CD2 4.35Å; M252-L279 VanDerWaalsContact O-CD2 3.32Å; M252-L279 WeakPolarHBondContact O-CD2 3.33Å
253T94Very high97.1Very high102 Ų10238.1 Ų38.163%0.62620%0.2SC*.THydrogen-bonded Turntrans-64.7-19.2-175.156.50000115.1H251H251-T253 PolarHBondContact O-N 2.87Å
254S96Very high96.9Very high35 Ų3541 Ų4125%0.24522%0.216CC..THydrogen-bonded Turntrans-80.8-20.8175.451.80000113.5T228 L230 R231 M252 W256T228-S254 VanDerWaalsContact O-CB 3.29Å; T228-S254 WeakPolarHBondContact O-CB 3.41Å; T228-S254 PolarHBondContact O-OG 2.99Å; L230-S254 CarbonylContact O-C 3.3Å; L230-S254 VanDerWaalsContact O-C 3.3Å; L230-S254 PolarHBondContact O-OG 3.4Å; R231-S254 WeakPolarHBondContact CA-O 3.13Å; M252-S254 PolarHBondContact O-N 2.58Å; M252-S254 VanDerWaalsContact O-N 3.15Å; S254-W256 PolarHBondContact O-N 2.93Å
255L97.6Very high96.9Very high0 Ų041.8 Ų41.80%021%0.212CC..  trans-73.9117-176.6-16576.4000109.2L230 R231 L233 M252 L258 L279 L281L230-L255 HydrophobicContact CD2-CD1 4.31Å; L230-L255 HydrophobicContact CG-CD1 4.3Å; L230-L255 WeakPolarHBondContact O-CA 3.2Å; L230-L255 PolarHBondContact O-N 2.95Å; R231-L255 WeakPolarHBondContact O-CA 3.45Å; R231-L255 WeakPolarHBondContact O-CD1 3.49Å; L233-L255 HydrophobicContact CB-CD1 3.78Å; M252-L255 HydrophobicContact CB-CB 3.99Å; M252-L255 WeakPolarHBondContact O-CB 3.39Å; M252-L255 PolarHBondContact O-N 2.75Å; L255-L258 HydrophobicContact CD2-CB 4.24Å; L255-L258 HydrophobicContact CD2-CD1 4.44Å; L255-L258 HydrophobicContact CD2-CD2 4.49Å; L255-L279 HydrophobicContact CB-CD2 3.99Å; L255-L279 HydrophobicContact CD2-CD2 4.12Å; L255-L281 HydrophobicContact CD2-CD2 4.16Å; L255-L281 HydrophobicContact CG-CD2 4.12Å; L255-L281 WeakPolarHBondContact O-CD2 3.38Å
256W96.4Very high96.9Very high128 Ų12841.9 Ų41.949%0.48521%0.212SC..  trans-110.8-14.6179.382.4-31000113.2R231 S254 S282 G283R231-W256 PolarHBondContact O-N 3.3Å; S254-W256 PolarHBondContact O-N 2.93Å; W256-S282 WeakPolarHBondContact O-CA 3.35Å; W256-S282 PolarHBondContact O-N 3.09Å; W256-G283 PolarHBondContact O-N 3.41Å
257S98.4Very high97Very high39 Ų3942.8 Ų42.827%0.27322%0.219SC..EExtended strand (participates in β ladder)trans-143.5124.4180-174.10000110.8R231 V232 L233 G283R231-S257 PolarHBondContact O-N 3.08Å; R231-S257 VanDerWaalsContact O-N 3.16Å; V232-S257 WeakPolarHBondContact CA-O 3.2Å; L233-S257 PolarHBondContact N-O 3.46Å; S257-G283 WeakPolarHBondContact CA-O 3.39Å
258L98.8Very high97.1Very high1 Ų140.9 Ų40.91%0.00521%0.209CC..EExtended strand (participates in β ladder)trans-128125.6179.8179.258000110.3L233 L235 L249 L255 L260 L274 L281 G283 L284 D285L233-L258 HydrophobicContact CB-CD1 4.14Å; L233-L258 HydrophobicContact CD2-CD1 4.17Å; L233-L258 HydrophobicContact CG-CD1 4.16Å; L233-L258 WeakPolarHBondContact O-CA 3.39Å; L235-L258 HydrophobicContact CD1-CD1 4.31Å; L249-L258 HydrophobicContact CD1-CD1 4.19Å; L249-L258 HydrophobicContact CD1-CD2 4.16Å; L255-L258 HydrophobicContact CD2-CB 4.24Å; L255-L258 HydrophobicContact CD2-CD1 4.44Å; L255-L258 HydrophobicContact CD2-CD2 4.49Å; L258-L260 HydrophobicContact CD1-CD2 4.28Å; L258-L260 HydrophobicContact CD1-CG 4.19Å; L258-L260 HydrophobicContact CD2-CD1 3.85Å; L258-L260 HydrophobicContact CD2-CG 4.23Å; L258-L260 HydrophobicContact CG-CD1 4.1Å; L258-L260 HydrophobicContact CG-CG 3.95Å; L258-L274 HydrophobicContact CD2-CD1 3.9Å; L258-L274 HydrophobicContact CD2-CD2 4.26Å; L258-L281 HydrophobicContact CB-CD1 4.22Å; L258-L281 HydrophobicContact CB-CD2 4.06Å; L258-L281 HydrophobicContact CD2-CD1 4.5Å; L258-G283 PolarHBondContact N-O 3.2Å; L258-L284 HydrophobicContact CB-CD1 4.22Å; L258-L284 HydrophobicContact CD2-CD1 4.3Å; L258-L284 HydrophobicContact CG-CD1 4.29Å; L258-L284 WeakPolarHBondContact O-CA 3.22Å; L258-D285 PolarHBondContact O-N 3.18Å
259N98.8Very high97.1Very high34 Ų3441 Ų4118%0.18222%0.215CC..EExtended strand (participates in β ladder)trans-114.2118.4173.2-167.9-40.6000110.4L233 N234 L235 S236 R261 D285L233-N259 PolarHBondContact O-N 3.23Å; N234-N259 HydrophobicContact CB-CB 4.26Å; L235-N259 WeakPolarHBondContact CA-O 3.36Å; L235-N259 PolarHBondContact N-O 3.42Å; S236-N259 WeakPolarHBondContact CB-OD1 3.44Å; S236-N259 PolarHBondContact N-O 2.94Å; N259-R261 WeakPolarHBondContact OD1-CB 3.44Å; N259-R261 PolarHBondContact OD1-N 3.02Å; N259-D285 HydrophobicContact CB-CB 4.34Å; N259-D285 PolarHBondContact ND2-OD2 3.05Å
260L98.5Very high97.1Very high0 Ų041 Ų410%022%0.215CC..  trans-12221.2179.3-65.1167.4000111.3L235 M246 L258 S262 C263 L274 D285 V286 C289L235-L260 HydrophobicContact CB-CD2 4.19Å; L235-L260 HydrophobicContact CD1-CD2 3.96Å; M246-L260 HydrophobicContact CE-CD2 4.03Å; M246-L260 HydrophobicContact SD-CD1 3.68Å; M246-L260 HydrophobicContact SD-CD2 4.18Å; L258-L260 HydrophobicContact CD1-CD2 4.28Å; L258-L260 HydrophobicContact CD1-CG 4.19Å; L258-L260 HydrophobicContact CD2-CD1 3.85Å; L258-L260 HydrophobicContact CD2-CG 4.23Å; L258-L260 HydrophobicContact CG-CD1 4.1Å; L258-L260 HydrophobicContact CG-CG 3.95Å; L260-S262 PolarHBondContact O-N 3.01Å; L260-C263 WeakPolarHBondContact O-CB 3.22Å; L260-C263 PolarHBondContact O-N 3.16Å; L260-C263 PolarHBondContact O-SG 2.98Å; L260-L274 HydrophobicContact CD1-CD1 4.12Å; L260-D285 CarbonylContact C-O 3.47Å; L260-D285 WeakPolarHBondContact CA-O 3.43Å; L260-D285 PolarHBondContact N-O 3.39Å; L260-V286 HydrophobicContact CB-CG1 4.28Å; L260-V286 HydrophobicContact CD1-CG1 4.26Å; L260-C289 PolarHBondContact O-SG 3.25Å
261R98.4Very high97.3Very high79 Ų7940.8 Ų40.830%0.29821%0.213SC..THydrogen-bonded Turntrans-55.7135-178.8174.1-177.7176.4115.71.1111.2S236 F237 N259 C263 D285 S287 F288S236-R261 CarbonylContact C-O 3.32Å; S236-R261 WeakPolarHBondContact CA-O 3.3Å; S236-R261 VanDerWaalsContact CB-O 3.31Å; S236-R261 WeakPolarHBondContact CB-O 3.42Å; F237-R261 PolarHBondContact N-O 2.79Å; N259-R261 WeakPolarHBondContact OD1-CB 3.44Å; N259-R261 PolarHBondContact OD1-N 3.02Å; R261-C263 PolarHBondContact O-N 2.92Å; R261-D285 PolarHBondContact N-O 2.74Å; R261-S287 CarbonylContact C-O 3.46Å; R261-S287 WeakPolarHBondContact CA-O 3.15Å; R261-S287 WeakPolarHBondContact CG-O 3.43Å; R261-F288 HydrophobicContact CG-CD2 4.2Å; R261-F288 VanDerWaalsContact NH2-CD2 3.28Å
262S98.3Very high97.5Very high18 Ų1836.9 Ų36.913%0.12620%0.196CC..THydrogen-bonded Turntrans54.938.8179.9-58.60000113.1F237 L260 S287 F288F237-S262 WeakPolarHBondContact CA-O 3.28Å; L260-S262 PolarHBondContact O-N 3.01Å; S262-S287 PolarHBondContact N-O 3.5Å; S262-F288 VanDerWaalsContact OG-CB 3.3Å; S262-F288 WeakPolarHBondContact OG-CB 3.33Å
263C97.8Very high97.6Very high0 Ų038.6 Ų38.60%020%0.204CC..  trans-96.988.6166.5-700000108.9L235 L260 R261 N265 I266L235-C263 PolarHBondContact O-SG 2.79Å; L260-C263 WeakPolarHBondContact O-CB 3.22Å; L260-C263 PolarHBondContact O-N 3.16Å; L260-C263 PolarHBondContact O-SG 2.98Å; R261-C263 PolarHBondContact O-N 2.92Å; C263-N265 PolarHBondContact O-N 3.31Å; C263-I266 HydrophobicContact CB-CB 4.43Å; C263-I266 HydrophobicContact CB-CG1 3.7Å; C263-I266 WeakPolarHBondContact O-CB 3.38Å; C263-I266 PolarHBondContact O-N 3.06Å
264D94.6Very high97.7Very high91 Ų9133.8 Ų33.849%0.48717%0.174SC..THydrogen-bonded Turntrans-61.7-13.5-167.9-52.9-26.7000115.3K291D264-K291 WeakPolarHBondContact O-CE 3.37Å; D264-K291 PolarHBondContact O-NZ 3.34Å
265N97.6Very high97.7Very high73 Ų7332.6 Ų32.639%0.3917%0.166SC..BIsolated β-bridgetrans-99.610178.2-72.3-36.6000113.7G239 I241 S242 D243 C263 K291G239-N265 PolarHBondContact O-ND2 2.96Å; I241-N265 WeakPolarHBondContact O-CB 3.33Å; S242-N265 WeakPolarHBondContact CA-O 3.27Å; D243-N265 PolarHBondContact N-O 2.79Å; C263-N265 PolarHBondContact O-N 3.31Å; N265-K291 PolarHBondContact OD1-NZ 3.3Å
266I98.1Very high97.5Very high1 Ų139 Ų391%0.00520%0.198CC..  trans-97.6130.8171.9-59.6-62.1000110.6I241 S242 D243 M246 C263 I292I241-I266 HydrophobicContact CG2-CD1 4.31Å; S242-I266 VanDerWaalsContact C-CD1 3.42Å; S242-I266 WeakPolarHBondContact O-CD1 3.49Å; D243-I266 WeakPolarHBondContact OD1-CA 3.25Å; M246-I266 HydrophobicContact CE-CD1 3.97Å; M246-I266 HydrophobicContact CG-CD1 3.87Å; M246-I266 HydrophobicContact SD-CD1 4.08Å; C263-I266 HydrophobicContact CB-CB 4.43Å; C263-I266 HydrophobicContact CB-CG1 3.7Å; C263-I266 WeakPolarHBondContact O-CB 3.38Å; C263-I266 PolarHBondContact O-N 3.06Å; I266-I292 HydrophobicContact CG2-CD1 4.29Å
267S98.4Very high97.2Very high19 Ų1934 Ų3413%0.13319%0.186CC..BIsolated β-bridgetrans-125.8-176.1176.1800000112.1D243 T269 G270 T271 K291D243-S267 PolarHBondContact OD1-N 3.09Å; D243-S267 WeakPolarHBondContact OD2-CB 3.4Å; D243-S267 PolarHBondContact OD2-OG 3.48Å; S267-T269 PolarHBondContact O-N 2.9Å; S267-T269 VanDerWaalsContact O-N 3.09Å; S267-T269 WeakPolarHBondContact OG-CB 3.39Å; S267-T269 PolarHBondContact OG-N 3.25Å; S267-T269 VanDerWaalsContact OG-N 3.13Å; S267-T269 PolarHBondContact OG-OG1 2.77Å; S267-G270 PolarHBondContact O-N 2.83Å; S267-T271 PolarHBondContact O-N 2.95Å; S267-K291 WeakPolarHBondContact CA-O 3.18Å
268D98.3Very high96.8Very high38 Ų3835.6 Ų35.620%0.20319%0.194CC..Hα-helixtrans-47.9-35.4169.1-65.8-23.8000112.3T271 M272 K291 G293 Q295 T296 Y299D268-T271 PolarHBondContact O-N 3.08Å; D268-T271 PolarHBondContact O-OG1 3.26Å; D268-M272 PolarHBondContact O-N 3.34Å; D268-K291 PolarHBondContact N-O 3.04Å; D268-G293 PolarHBondContact OD1-N 2.95Å; D268-Q295 HydrophobicContact CB-CB 4.09Å; D268-Q295 WeakPolarHBondContact OD2-CB 3.45Å; D268-T296 WeakPolarHBondContact CA-OG1 3.4Å; D268-T296 WeakPolarHBondContact OD1-CB 3.4Å; D268-T296 PolarHBondContact OD1-N 3.23Å; D268-T296 PolarHBondContact OD1-OG1 3.26Å; D268-Y299 HydrophobicContact CB-CE2 4.35Å; D268-Y299 WeakPolarHBondContact O-CD2 3.29Å
269T98.3Very high96.5Very high66 Ų6635.9 Ų35.941%0.40520%0.196SC..Hα-helixtrans-64.6-41.6179-52.20000112.6D243 S267 T271 M272 H273D243-T269 HydrophobicContact CB-CG2 4.45Å; S267-T269 PolarHBondContact O-N 2.9Å; S267-T269 VanDerWaalsContact O-N 3.09Å; S267-T269 WeakPolarHBondContact OG-CB 3.39Å; S267-T269 PolarHBondContact OG-N 3.25Å; S267-T269 VanDerWaalsContact OG-N 3.13Å; S267-T269 PolarHBondContact OG-OG1 2.77Å; T269-T271 VanDerWaalsContact C-N 3.33Å; T269-T271 PolarHBondContact O-N 3.06Å; T269-M272 HydrophobicContact CG2-CE 4.37Å; T269-M272 VanDerWaalsContact O-CB 3.26Å; T269-M272 WeakPolarHBondContact O-CB 3.39Å; T269-M272 PolarHBondContact O-N 3.24Å; T269-H273 PolarHBondContact O-N 3.43Å; T269-H273 PolarHBondContact O-ND1 3.47Å
270G97.8Very high96.1Very high0 Ų041.6 Ų41.60%022%0.215CC..Hα-helixtrans-63.1-42.1176.200000111.5D243 M246 S267 M272 H273 L274D243-G270 WeakPolarHBondContact OD1-CA 3.33Å; D243-G270 PolarHBondContact OD1-N 3.49Å; M246-G270 WeakPolarHBondContact CB-O 3.43Å; S267-G270 PolarHBondContact O-N 2.83Å; G270-M272 VanDerWaalsContact C-N 3.33Å; G270-M272 PolarHBondContact O-N 3.42Å; G270-H273 WeakPolarHBondContact O-CB 3.42Å; G270-H273 PolarHBondContact O-N 3.19Å; G270-L274 PolarHBondContact O-N 3.28Å; G270-L274 VanDerWaalsContact O-N 3.16Å
271T97.5Very high96Very high1 Ų141.7 Ų41.71%0.00622%0.215CC..Hα-helixtrans-67.9-32.5175.864.80000112.9S267 D268 T269 L274 A275 V286 I292 T296S267-T271 PolarHBondContact O-N 2.95Å; D268-T271 PolarHBondContact O-N 3.08Å; D268-T271 PolarHBondContact O-OG1 3.26Å; T269-T271 VanDerWaalsContact C-N 3.33Å; T269-T271 PolarHBondContact O-N 3.06Å; T271-L274 PolarHBondContact O-N 2.9Å; T271-A275 WeakPolarHBondContact O-CB 3.34Å; T271-A275 PolarHBondContact O-N 3.45Å; T271-V286 HydrophobicContact CG2-CG1 4.38Å; T271-I292 HydrophobicContact CG2-CD1 3.56Å; T271-T296 HydrophobicContact CG2-CG2 3.78Å; T271-T296 WeakPolarHBondContact OG1-CA 3.37Å; T271-T296 WeakPolarHBondContact OG1-CB 3.31Å; T271-T296 PolarHBondContact OG1-OG1 3.45Å
272M97.9Very high95.9Very high40 Ų4039.4 Ų39.420%0.19721%0.211CC..Hα-helixtrans-58.4-48.2170.6-170.6-17071.400111D268 T269 G270 L274 A275 M276 Y299D268-M272 PolarHBondContact O-N 3.34Å; T269-M272 HydrophobicContact CG2-CE 4.37Å; T269-M272 VanDerWaalsContact O-CB 3.26Å; T269-M272 WeakPolarHBondContact O-CB 3.39Å; T269-M272 PolarHBondContact O-N 3.24Å; G270-M272 VanDerWaalsContact C-N 3.33Å; G270-M272 PolarHBondContact O-N 3.42Å; M272-L274 VanDerWaalsContact C-N 3.32Å; M272-L274 PolarHBondContact O-N 2.84Å; M272-A275 PolarHBondContact O-N 3.32Å; M272-A275 VanDerWaalsContact O-N 3.17Å; M272-M276 HydrophobicContact CE-CE 4.38Å; M272-M276 HydrophobicContact CE-SD 4.25Å; M272-M276 HydrophobicContact CG-CE 3.48Å; M272-M276 VanDerWaalsContact CG-CE 3.48Å; M272-M276 HydrophobicContact CG-CG 4.31Å; M272-M276 HydrophobicContact CG-SD 3.83Å; M272-M276 WeakPolarHBondContact O-CG 3.34Å; M272-M276 PolarHBondContact O-N 3.26Å; M272-M276 HydrophobicContact SD-CE 3.66Å; M272-M276 HydrophobicContact SD-SD 4.24Å; M272-Y299 HydrophobicContact CB-CD1 4.34Å; M272-Y299 HydrophobicContact CB-CD2 3.55Å; M272-Y299 HydrophobicContact CB-CE1 4.37Å; M272-Y299 HydrophobicContact CB-CE2 3.55Å; M272-Y299 HydrophobicContact CB-CG 3.96Å; M272-Y299 HydrophobicContact CG-CD1 3.97Å; M272-Y299 HydrophobicContact CG-CD2 4.07Å; M272-Y299 HydrophobicContact CG-CE1 3.82Å; M272-Y299 HydrophobicContact CG-CE2 3.88Å; M272-Y299 HydrophobicContact CG-CG 4.11Å; M272-Y299 HydrophobicContact SD-CE1 4.23Å; M272-Y299 HydrophobicContact SD-CE2 4.34Å
273H97.6Very high95.9Very high45 Ų4539 Ų3921%0.20821%0.21CC..Hα-helixtrans-59.9-41177.7-65.6136.7000112.4D243 M246 I247 S250 T269 G270D243-H273 PolarHBondContact O-ND1 3.14Å; D243-H273 VanDerWaalsContact O-ND1 3.07Å; M246-H273 HydrophobicContact CB-CB 4.11Å; I247-H273 HydrophobicContact CG1-CB 3.86Å; I247-H273 VanDerWaalsContact CG1-CG 3.44Å; S250-H273 WeakPolarHBondContact CB-O 3.41Å; T269-H273 PolarHBondContact O-N 3.43Å; T269-H273 PolarHBondContact O-ND1 3.47Å; G270-H273 WeakPolarHBondContact O-CB 3.42Å; G270-H273 PolarHBondContact O-N 3.19Å
274L96.6Very high96Very high1 Ų139.1 Ų39.11%0.00521%0.21CC..Hα-helixtrans-63.5-43175.4-63.6177.1000111.6M246 L249 L258 L260 G270 T271 M272 L279 L304M246-L274 HydrophobicContact CB-CD2 4.02Å; M246-L274 HydrophobicContact CB-CG 4.11Å; M246-L274 HydrophobicContact CG-CD2 4.5Å; M246-L274 HydrophobicContact CG-CG 4.39Å; M246-L274 HydrophobicContact SD-CD1 4.02Å; M246-L274 HydrophobicContact SD-CD2 4.02Å; M246-L274 HydrophobicContact SD-CG 4.19Å; L249-L274 HydrophobicContact CB-CD2 4Å; L258-L274 HydrophobicContact CD2-CD1 3.9Å; L258-L274 HydrophobicContact CD2-CD2 4.26Å; L260-L274 HydrophobicContact CD1-CD1 4.12Å; G270-L274 PolarHBondContact O-N 3.28Å; G270-L274 VanDerWaalsContact O-N 3.16Å; T271-L274 PolarHBondContact O-N 2.9Å; M272-L274 VanDerWaalsContact C-N 3.32Å; M272-L274 PolarHBondContact O-N 2.84Å; L274-L279 HydrophobicContact CB-CD1 4.1Å; L274-L279 HydrophobicContact CD2-CD1 3.67Å; L274-L279 HydrophobicContact CG-CD1 4.47Å; L274-L304 HydrophobicContact CB-CD1 4.47Å
275A95.6Very high96.2Very high10 Ų1035.9 Ų35.98%0.08319%0.193CC..Hα-helixtrans-72.4-32.7-177.100000113.9T271 M272 G277 Y299 G303 L304T271-A275 WeakPolarHBondContact O-CB 3.34Å; T271-A275 PolarHBondContact O-N 3.45Å; M272-A275 PolarHBondContact O-N 3.32Å; M272-A275 VanDerWaalsContact O-N 3.17Å; A275-G277 PolarHBondContact O-N 3.24Å; A275-Y299 WeakPolarHBondContact CB-O 3.35Å; A275-G303 VanDerWaalsContact O-CA 3.28Å; A275-G303 WeakPolarHBondContact O-CA 3.49Å; A275-L304 HydrophobicContact CB-CG 4.34Å
276M93.9Very high96.2Very high134 Ų13432.4 Ų32.466%0.6618%0.175SC*.THydrogen-bonded Turntrans-75.8-7.8179-71.3-178.917200113.7M272M272-M276 HydrophobicContact CE-CE 4.38Å; M272-M276 HydrophobicContact CE-SD 4.25Å; M272-M276 HydrophobicContact CG-CE 3.48Å; M272-M276 VanDerWaalsContact CG-CE 3.48Å; M272-M276 HydrophobicContact CG-CG 4.31Å; M272-M276 HydrophobicContact CG-SD 3.83Å; M272-M276 WeakPolarHBondContact O-CG 3.34Å; M272-M276 PolarHBondContact O-N 3.26Å; M272-M276 HydrophobicContact SD-CE 3.66Å; M272-M276 HydrophobicContact SD-SD 4.24Å
277G90.7Very high96.2Very high23 Ų2332.4 Ų32.424%0.23718%0.175CC..SBendtrans-85.8-160-178.200000115S250 A275S250-G277 CarbonylContact O-C 3.46Å; S250-G277 VanDerWaalsContact O-CA 3.3Å; S250-G277 WeakPolarHBondContact O-CA 3.46Å; A275-G277 PolarHBondContact O-N 3.24Å
278T90.3Very high96.2Very high73 Ų7334 Ų3445%0.44818%0.179SC..SBendtrans-105.110.2176.756.60000112.9S250 H251S250-T278 PolarHBondContact O-N 3.41Å; H251-T278 WeakPolarHBondContact CA-OG1 3.46Å
279L92.1Very high96.2Very high7 Ų732.2 Ų32.24%0.03717%0.17CC..  trans-56.1138.9175.7-88.3167.6000111.9L249 S250 M252 L255 L274 L281 L304L249-L279 WeakPolarHBondContact O-CD1 3.46Å; L249-L279 WeakPolarHBondContact O-CD2 3.43Å; L249-L279 WeakPolarHBondContact O-CG 3.18Å; S250-L279 WeakPolarHBondContact O-CG 3.49Å; S250-L279 PolarHBondContact O-N 3.46Å; S250-L279 VanDerWaalsContact O-N 3.11Å; M252-L279 HydrophobicContact CB-CD2 4.35Å; M252-L279 VanDerWaalsContact O-CD2 3.32Å; M252-L279 WeakPolarHBondContact O-CD2 3.33Å; L255-L279 HydrophobicContact CB-CD2 3.99Å; L255-L279 HydrophobicContact CD2-CD2 4.12Å; L274-L279 HydrophobicContact CB-CD1 4.1Å; L274-L279 HydrophobicContact CD2-CD1 3.67Å; L274-L279 HydrophobicContact CG-CD1 4.47Å; L279-L281 HydrophobicContact CD2-CD2 4.18Å; L279-L281 HydrophobicContact CD2-CG 4.23Å; L279-L304 HydrophobicContact CB-CD2 4.08Å
280R90.8Very high96Very high155 Ų15533.6 Ų33.659%0.58518%0.175SC*.  trans-125.966.3173.8-65.9-174.4179.1-130.15109.9
281L95.6Very high96Very high2 Ų239 Ų391%0.0120%0.198CC..  trans-68.9135.9-179.9-67174.9000110.7L255 L258 L279 L284 L304 L307L255-L281 HydrophobicContact CD2-CD2 4.16Å; L255-L281 HydrophobicContact CG-CD2 4.12Å; L255-L281 WeakPolarHBondContact O-CD2 3.38Å; L258-L281 HydrophobicContact CB-CD1 4.22Å; L258-L281 HydrophobicContact CB-CD2 4.06Å; L258-L281 HydrophobicContact CD2-CD1 4.5Å; L279-L281 HydrophobicContact CD2-CD2 4.18Å; L279-L281 HydrophobicContact CD2-CG 4.23Å; L281-L284 HydrophobicContact CD1-CB 4.48Å; L281-L284 HydrophobicContact CD1-CD1 4.29Å; L281-L304 HydrophobicContact CD1-CD1 4.26Å; L281-L307 HydrophobicContact CB-CD2 3.68Å; L281-L307 HydrophobicContact CB-CG 4.5Å; L281-L307 WeakPolarHBondContact O-CD2 3.43Å
282S97.1Very high96Very high30 Ų3039 Ų3921%0.2120%0.198CC..SBendtrans-93.8-25.4164.6-176.60000111.7W256 K308 S309W256-S282 WeakPolarHBondContact O-CA 3.35Å; W256-S282 PolarHBondContact O-N 3.09Å; S282-K308 WeakPolarHBondContact O-CA 3.25Å; S282-K308 PolarHBondContact O-N 3.43Å; S282-S309 PolarHBondContact O-N 3.19Å
283G98.3Very high96Very high9 Ų937.6 Ų37.69%0.09319%0.193CC..EExtended strand (participates in β ladder)trans-137.2130.7179.400000112.6W256 S257 L258 S309W256-G283 PolarHBondContact O-N 3.41Å; S257-G283 WeakPolarHBondContact CA-O 3.39Å; L258-G283 PolarHBondContact N-O 3.2Å; G283-S309 WeakPolarHBondContact CA-O 3.49Å
284L98.6Very high96Very high3 Ų336.8 Ų36.82%0.01619%0.191CC..EExtended strand (participates in β ladder)trans-133.8130.2172.7179.462.3000110.2L258 L281 V286 I300 L304 L307 S309 L310 S311L258-L284 HydrophobicContact CB-CD1 4.22Å; L258-L284 HydrophobicContact CD2-CD1 4.3Å; L258-L284 HydrophobicContact CG-CD1 4.29Å; L258-L284 WeakPolarHBondContact O-CA 3.22Å; L281-L284 HydrophobicContact CD1-CB 4.48Å; L281-L284 HydrophobicContact CD1-CD1 4.29Å; L284-V286 HydrophobicContact CD1-CG1 3.99Å; L284-V286 HydrophobicContact CD2-CG1 4.4Å; L284-V286 HydrophobicContact CG-CG1 4.12Å; L284-I300 HydrophobicContact CD2-CD1 3.86Å; L284-I300 HydrophobicContact CD2-CG1 4.3Å; L284-L304 HydrophobicContact CD2-CD1 4.2Å; L284-L307 HydrophobicContact CB-CD1 4.18Å; L284-L307 HydrophobicContact CB-CD2 3.88Å; L284-L307 HydrophobicContact CD2-CD1 4.48Å; L284-S309 PolarHBondContact N-O 2.64Å; L284-L310 HydrophobicContact CB-CD1 4.19Å; L284-L310 HydrophobicContact CD2-CD1 4.27Å; L284-L310 HydrophobicContact CG-CD1 4.33Å; L284-L310 WeakPolarHBondContact O-CA 3.47Å; L284-S311 PolarHBondContact O-N 3.39Å
285D98.8Very high96.1Very high24 Ų2440 Ų4013%0.12821%0.206CC..EExtended strand (participates in β ladder)trans-123.6115.3171.9-176.32.8000109.4L258 N259 L260 R261 S287 S311L258-D285 PolarHBondContact O-N 3.18Å; N259-D285 HydrophobicContact CB-CB 4.34Å; N259-D285 PolarHBondContact ND2-OD2 3.05Å; L260-D285 CarbonylContact C-O 3.47Å; L260-D285 WeakPolarHBondContact CA-O 3.43Å; L260-D285 PolarHBondContact N-O 3.39Å; R261-D285 PolarHBondContact N-O 2.74Å; D285-S287 WeakPolarHBondContact OD1-CB 3.5Å; D285-S287 PolarHBondContact OD1-N 3.18Å; D285-S287 PolarHBondContact OD1-OG 2.93Å; D285-S311 WeakPolarHBondContact OD1-CB 3.45Å
286V98.4Very high96.2Very high0 Ų039.5 Ų39.50%020%0.202CC..  trans-123.324175-67.70000110.5L260 T271 L284 C289 I292 S311 L312 C315L260-V286 HydrophobicContact CB-CG1 4.28Å; L260-V286 HydrophobicContact CD1-CG1 4.26Å; T271-V286 HydrophobicContact CG2-CG1 4.38Å; L284-V286 HydrophobicContact CD1-CG1 3.99Å; L284-V286 HydrophobicContact CD2-CG1 4.4Å; L284-V286 HydrophobicContact CG-CG1 4.12Å; V286-C289 WeakPolarHBondContact O-CB 3.33Å; V286-C289 PolarHBondContact O-SG 3.22Å; V286-I292 HydrophobicContact CB-CD1 4.44Å; V286-I292 HydrophobicContact CB-CG1 4.47Å; V286-S311 PolarHBondContact N-O 3.09Å; V286-L312 HydrophobicContact CG2-CD2 3.41Å; V286-L312 VanDerWaalsContact CG2-CD2 3.41Å; V286-L312 HydrophobicContact CG2-CG 4.03Å; V286-C315 PolarHBondContact O-SG 2.93Å
287S98.4Very high96.4Very high1 Ų133.1 Ų33.11%0.00717%0.17CC..THydrogen-bonded Turntrans-61.2150.3-178.8-51.20000111.4R261 S262 D285 C289 S311 C313R261-S287 CarbonylContact C-O 3.46Å; R261-S287 WeakPolarHBondContact CA-O 3.15Å; R261-S287 WeakPolarHBondContact CG-O 3.43Å; S262-S287 PolarHBondContact N-O 3.5Å; D285-S287 WeakPolarHBondContact OD1-CB 3.5Å; D285-S287 PolarHBondContact OD1-N 3.18Å; D285-S287 PolarHBondContact OD1-OG 2.93Å; S287-C289 PolarHBondContact O-N 3.17Å; S287-S311 WeakPolarHBondContact OG-CB 3.32Å; S287-C313 CarbonylContact C-O 3.43Å; S287-C313 VanDerWaalsContact CA-O 3.27Å; S287-C313 WeakPolarHBondContact CA-O 3.35Å; S287-C313 WeakPolarHBondContact CB-O 3.45Å; S287-C313 PolarHBondContact OG-N 3.32Å; S287-C313 VanDerWaalsContact OG-N 3.1Å
288F97.8Very high96.7Very high52 Ų5232.4 Ų32.423%0.22816%0.162CC..THydrogen-bonded Turntrans58.528.6178.3-57.7-94.3000112.9R261 S262 C313R261-F288 HydrophobicContact CG-CD2 4.2Å; R261-F288 VanDerWaalsContact NH2-CD2 3.28Å; S262-F288 VanDerWaalsContact OG-CB 3.3Å; S262-F288 WeakPolarHBondContact OG-CB 3.33Å; F288-C313 HydrophobicContact CE2-CB 3.85Å; F288-C313 HydrophobicContact CZ-CB 4.39Å; F288-C313 PolarHBondContact N-O 3.36Å
289C97.6Very high97Very high0 Ų031.2 Ų31.20%015%0.15CC..  trans-102.1100.1167.9-650000108L260 V286 S287 K291 I292L260-C289 PolarHBondContact O-SG 3.25Å; V286-C289 WeakPolarHBondContact O-CB 3.33Å; V286-C289 PolarHBondContact O-SG 3.22Å; S287-C289 PolarHBondContact O-N 3.17Å; C289-K291 PolarHBondContact O-N 3.3Å; C289-K291 VanDerWaalsContact O-N 3.09Å; C289-I292 HydrophobicContact CB-CB 4.41Å; C289-I292 HydrophobicContact CB-CG1 3.58Å; C289-I292 WeakPolarHBondContact O-CB 3.39Å; C289-I292 PolarHBondContact O-N 3.19Å
290D94.5Very high97.2Very high96 Ų9630.9 Ų30.951%0.51315%0.148SC..THydrogen-bonded Turntrans-65.1-16.3-170.6-63.4-24.2000113.8H316D290-H316 PolarHBondContact O-CD2 3.15Å; D290-H316 PolarHBondContact O-NE2 3.24Å
291K97.8Very high97.5Very high114 Ų11423.7 Ų23.750%0.49612%0.122SC..BIsolated β-bridgetrans-91.96.3177.4-59.3170.2-176153.10113.5D264 N265 S267 D268 C289D264-K291 WeakPolarHBondContact O-CE 3.37Å; D264-K291 PolarHBondContact O-NZ 3.34Å; N265-K291 PolarHBondContact OD1-NZ 3.3Å; S267-K291 WeakPolarHBondContact CA-O 3.18Å; D268-K291 PolarHBondContact N-O 3.04Å; C289-K291 PolarHBondContact O-N 3.3Å; C289-K291 VanDerWaalsContact O-N 3.09Å
292I97.9Very high97.4Very high1 Ų130.3 Ų30.31%0.00515%0.153CC..  trans-91.2128.7175.4-66.5-77.6000110I266 T271 V286 C289 T296 L312 C315 H316I266-I292 HydrophobicContact CG2-CD1 4.29Å; T271-I292 HydrophobicContact CG2-CD1 3.56Å; V286-I292 HydrophobicContact CB-CD1 4.44Å; V286-I292 HydrophobicContact CB-CG1 4.47Å; C289-I292 HydrophobicContact CB-CB 4.41Å; C289-I292 HydrophobicContact CB-CG1 3.58Å; C289-I292 WeakPolarHBondContact O-CB 3.39Å; C289-I292 PolarHBondContact O-N 3.19Å; I292-T296 HydrophobicContact CD1-CG2 4.28Å; I292-T296 VanDerWaalsContact CD1-OG1 3.25Å; I292-T296 WeakPolarHBondContact CD1-OG1 3.42Å; I292-T296 HydrophobicContact CG2-CG2 4Å; I292-L312 HydrophobicContact CG2-CD2 3.73Å; I292-C315 HydrophobicContact CB-CB 4.22Å; I292-C315 HydrophobicContact CG2-CB 3.95Å; I292-H316 PolarHBondContact O-N 2.72Å
293G97.6Very high97.2Very high9 Ų930 Ų309%0.09315%0.154CC..  trans-137.5-159.917900000113.8D268 Q295 T296D268-G293 PolarHBondContact OD1-N 2.95Å; G293-Q295 PolarHBondContact O-N 3.19Å; G293-Q295 VanDerWaalsContact O-N 3.15Å; G293-T296 WeakPolarHBondContact O-CB 3.49Å; G293-T296 PolarHBondContact O-N 3.13Å
294D98.1Very high97Very high28 Ų2829.8 Ų29.815%0.1515%0.151CC..Hα-helixtrans-63-21.9-174.6-69.8-29.2000113.7L297 A298 I317 S318 G321D294-L297 PolarHBondContact O-N 3.32Å; D294-A298 PolarHBondContact O-N 2.95Å; D294-I317 VanDerWaalsContact OD1-CA 3.32Å; D294-I317 WeakPolarHBondContact OD1-CA 3.48Å; D294-S318 PolarHBondContact OD1-N 2.76Å; D294-S318 PolarHBondContact OD1-OG 3.16Å; D294-S318 PolarHBondContact OD2-OG 2.63Å; D294-G321 VanDerWaalsContact OD1-CA 3.31Å; D294-G321 WeakPolarHBondContact OD1-CA 3.45Å; D294-G321 PolarHBondContact OD1-N 2.79Å
295Q98Very high96.7Very high68 Ų6835 Ų3532%0.31817%0.171SC..Hα-helixtrans-74.2-34.3-179.6-163.664.223.900111.7D268 G293 L297 A298 Y299D268-Q295 HydrophobicContact CB-CB 4.09Å; D268-Q295 WeakPolarHBondContact OD2-CB 3.45Å; G293-Q295 PolarHBondContact O-N 3.19Å; G293-Q295 VanDerWaalsContact O-N 3.15Å; Q295-L297 VanDerWaalsContact C-N 3.25Å; Q295-L297 PolarHBondContact O-N 3.36Å; Q295-A298 WeakPolarHBondContact O-CB 3.43Å; Q295-A298 PolarHBondContact O-N 3.23Å; Q295-A298 VanDerWaalsContact O-N 3.11Å; Q295-Y299 HydrophobicContact CB-CE2 4.28Å; Q295-Y299 HydrophobicContact CG-CD2 4.11Å; Q295-Y299 HydrophobicContact CG-CE1 4.17Å; Q295-Y299 HydrophobicContact CG-CE2 3.38Å; Q295-Y299 VanDerWaalsContact CG-CZ 3.41Å; Q295-Y299 WeakPolarHBondContact CG-OH 3.31Å; Q295-Y299 PolarHBondContact NE2-OH 2.9Å; Q295-Y299 VanDerWaalsContact O-CD2 3.26Å; Q295-Y299 WeakPolarHBondContact O-CD2 3.43Å; Q295-Y299 PolarHBondContact O-N 3.3Å
296T98Very high96.4Very high0 Ų037.4 Ų37.40%018%0.182CC..Hα-helixtrans-52.3-44.8168.1-79.20000111.9D268 T271 I292 G293 A298 Y299 I300 L312D268-T296 WeakPolarHBondContact CA-OG1 3.4Å; D268-T296 WeakPolarHBondContact OD1-CB 3.4Å; D268-T296 PolarHBondContact OD1-N 3.23Å; D268-T296 PolarHBondContact OD1-OG1 3.26Å; T271-T296 HydrophobicContact CG2-CG2 3.78Å; T271-T296 WeakPolarHBondContact OG1-CA 3.37Å; T271-T296 WeakPolarHBondContact OG1-CB 3.31Å; T271-T296 PolarHBondContact OG1-OG1 3.45Å; I292-T296 HydrophobicContact CD1-CG2 4.28Å; I292-T296 VanDerWaalsContact CD1-OG1 3.25Å; I292-T296 WeakPolarHBondContact CD1-OG1 3.42Å; I292-T296 HydrophobicContact CG2-CG2 4Å; G293-T296 WeakPolarHBondContact O-CB 3.49Å; G293-T296 PolarHBondContact O-N 3.13Å; T296-A298 VanDerWaalsContact C-N 3.29Å; T296-A298 PolarHBondContact O-N 3.06Å; T296-Y299 PolarHBondContact O-N 3.42Å; T296-I300 HydrophobicContact CG2-CD1 3.48Å; T296-I300 VanDerWaalsContact CG2-CD1 3.48Å; T296-I300 HydrophobicContact CG2-CG1 4.17Å; T296-I300 WeakPolarHBondContact O-CB 3.29Å; T296-I300 VanDerWaalsContact O-CG1 3.29Å; T296-I300 WeakPolarHBondContact O-CG1 3.4Å; T296-I300 PolarHBondContact O-N 3.05Å; T296-L312 HydrophobicContact CG2-CD2 4.2Å
297L98Very high96.4Very high0 Ų037.4 Ų37.40%018%0.182CC..Hα-helixtrans-63.1-36.3179.8-74.8-178.6000112.4D294 Q295 A301 L310 L312 I317 I322 M325D294-L297 PolarHBondContact O-N 3.32Å; Q295-L297 VanDerWaalsContact C-N 3.25Å; Q295-L297 PolarHBondContact O-N 3.36Å; L297-A301 WeakPolarHBondContact O-CB 3.3Å; L297-A301 PolarHBondContact O-N 3.38Å; L297-A301 VanDerWaalsContact O-N 3.07Å; L297-L310 HydrophobicContact CD2-CD2 4.2Å; L297-L312 HydrophobicContact CD2-CD1 3.45Å; L297-L312 VanDerWaalsContact CD2-CD1 3.45Å; L297-L312 HydrophobicContact CG-CD1 4.39Å; L297-I317 HydrophobicContact CD1-CB 4.02Å; L297-I317 HydrophobicContact CD1-CD1 4.27Å; L297-I317 HydrophobicContact CD1-CG2 3.9Å; L297-I317 HydrophobicContact CG-CG2 4.2Å; L297-I322 HydrophobicContact CD1-CD1 4.11Å; L297-M325 HydrophobicContact CB-CB 4.21Å; L297-M325 HydrophobicContact CD2-CB 4.2Å; L297-M325 HydrophobicContact CD2-CG 4.15Å; L297-M325 HydrophobicContact CD2-SD 3.54Å; L297-M325 VanDerWaalsContact CD2-SD 3.54Å
298A96.8Very high96.3Very high9 Ų942 Ų427%0.07420%0.202CC..Hα-helixtrans-66.9-45.7174.200000112.1D294 Q295 T296 A301 Q302D294-A298 PolarHBondContact O-N 2.95Å; Q295-A298 WeakPolarHBondContact O-CB 3.43Å; Q295-A298 PolarHBondContact O-N 3.23Å; Q295-A298 VanDerWaalsContact O-N 3.11Å; T296-A298 VanDerWaalsContact C-N 3.29Å; T296-A298 PolarHBondContact O-N 3.06Å; A298-A301 PolarHBondContact O-N 2.97Å; A298-Q302 WeakPolarHBondContact O-CG 3.48Å; A298-Q302 PolarHBondContact O-N 3.22Å; A298-Q302 VanDerWaalsContact O-N 3.12Å
299Y97.6Very high96.4Very high47 Ų4741.4 Ų41.418%0.18420%0.204CC..Hα-helixtrans-64.4-44.2178.2-61.8-41.4000112D268 M272 A275 Q295 T296 A301 Q302 G303D268-Y299 HydrophobicContact CB-CE2 4.35Å; D268-Y299 WeakPolarHBondContact O-CD2 3.29Å; M272-Y299 HydrophobicContact CB-CD1 4.34Å; M272-Y299 HydrophobicContact CB-CD2 3.55Å; M272-Y299 HydrophobicContact CB-CE1 4.37Å; M272-Y299 HydrophobicContact CB-CE2 3.55Å; M272-Y299 HydrophobicContact CB-CG 3.96Å; M272-Y299 HydrophobicContact CG-CD1 3.97Å; M272-Y299 HydrophobicContact CG-CD2 4.07Å; M272-Y299 HydrophobicContact CG-CE1 3.82Å; M272-Y299 HydrophobicContact CG-CE2 3.88Å; M272-Y299 HydrophobicContact CG-CG 4.11Å; M272-Y299 HydrophobicContact SD-CE1 4.23Å; M272-Y299 HydrophobicContact SD-CE2 4.34Å; A275-Y299 WeakPolarHBondContact CB-O 3.35Å; Q295-Y299 HydrophobicContact CB-CE2 4.28Å; Q295-Y299 HydrophobicContact CG-CD2 4.11Å; Q295-Y299 HydrophobicContact CG-CE1 4.17Å; Q295-Y299 HydrophobicContact CG-CE2 3.38Å; Q295-Y299 VanDerWaalsContact CG-CZ 3.41Å; Q295-Y299 WeakPolarHBondContact CG-OH 3.31Å; Q295-Y299 PolarHBondContact NE2-OH 2.9Å; Q295-Y299 VanDerWaalsContact O-CD2 3.26Å; Q295-Y299 WeakPolarHBondContact O-CD2 3.43Å; Q295-Y299 PolarHBondContact O-N 3.3Å; T296-Y299 PolarHBondContact O-N 3.42Å; Y299-A301 VanDerWaalsContact C-N 3.31Å; Y299-A301 PolarHBondContact O-N 3.21Å; Y299-Q302 PolarHBondContact O-N 3.49Å; Y299-Q302 VanDerWaalsContact O-N 3.14Å; Y299-G303 PolarHBondContact O-N 2.96Å
300I96.6Very high96.4Very high0 Ų041.4 Ų41.40%020%0.204CC..Hα-helixtrans-57.1-45.7175-73.8173.1000110.7L284 T296 Q302 G303 L304 Y305 L307 L310 M329L284-I300 HydrophobicContact CD2-CD1 3.86Å; L284-I300 HydrophobicContact CD2-CG1 4.3Å; T296-I300 HydrophobicContact CG2-CD1 3.48Å; T296-I300 VanDerWaalsContact CG2-CD1 3.48Å; T296-I300 HydrophobicContact CG2-CG1 4.17Å; T296-I300 WeakPolarHBondContact O-CB 3.29Å; T296-I300 VanDerWaalsContact O-CG1 3.29Å; T296-I300 WeakPolarHBondContact O-CG1 3.4Å; T296-I300 PolarHBondContact O-N 3.05Å; I300-Q302 VanDerWaalsContact C-N 3.26Å; I300-Q302 PolarHBondContact O-N 3.47Å; I300-G303 PolarHBondContact O-N 3.04Å; I300-L304 HydrophobicContact CG1-CD1 4.35Å; I300-L304 HydrophobicContact CG2-CB 4.28Å; I300-L304 CarbonylContact O-C 3.27Å; I300-L304 VanDerWaalsContact O-C 3.27Å; I300-L304 VanDerWaalsContact O-CA 3.3Å; I300-L304 WeakPolarHBondContact O-CA 3.29Å; I300-L304 PolarHBondContact O-N 3.22Å; I300-Y305 PolarHBondContact O-N 3.06Å; I300-L307 HydrophobicContact CG2-CD1 3.68Å; I300-L310 HydrophobicContact CD1-CD1 3.86Å; I300-L310 HydrophobicContact CD1-CD2 4.28Å; I300-L310 HydrophobicContact CG2-CD2 4.32Å; I300-M329 HydrophobicContact CG2-CE 3.81Å; I300-M329 HydrophobicContact CG2-SD 3.82Å
301A95.4Very high96.6Very high4 Ų437.5 Ų37.53%0.03318%0.184CC..Hα-helixtrans-63.5-31.217900000113.4L297 A298 Y299 Q328L297-A301 WeakPolarHBondContact O-CB 3.3Å; L297-A301 PolarHBondContact O-N 3.38Å; L297-A301 VanDerWaalsContact O-N 3.07Å; A298-A301 PolarHBondContact O-N 2.97Å; Y299-A301 VanDerWaalsContact C-N 3.31Å; Y299-A301 PolarHBondContact O-N 3.21Å; A301-Q328 HydrophobicContact CB-CB 4.2Å; A301-Q328 HydrophobicContact CB-CG 4.36Å; A301-Q328 WeakPolarHBondContact O-CB 3.27Å
302Q93.8Very high96.6Very high142 Ų14232 Ų3266%0.66416%0.16SC*.Hα-helixtrans-79.6-40.6179.7-71.91735.300113A298 Y299 I300A298-Q302 WeakPolarHBondContact O-CG 3.48Å; A298-Q302 PolarHBondContact O-N 3.22Å; A298-Q302 VanDerWaalsContact O-N 3.12Å; Y299-Q302 PolarHBondContact O-N 3.49Å; Y299-Q302 VanDerWaalsContact O-N 3.14Å; I300-Q302 VanDerWaalsContact C-N 3.26Å; I300-Q302 PolarHBondContact O-N 3.47Å
303G93.6Very high96.6Very high23 Ų2332.6 Ų32.624%0.23716%0.164CC..Hα-helixtrans-112.5-29.4-169.900000115.8A275 Y299 I300A275-G303 VanDerWaalsContact O-CA 3.28Å; A275-G303 WeakPolarHBondContact O-CA 3.49Å; Y299-G303 PolarHBondContact O-N 2.96Å; I300-G303 PolarHBondContact O-N 3.04Å
304L94.8Very high96.5Very high5 Ų533.7 Ų33.73%0.02617%0.17CC..  trans-116.533.2-173.1-58.2177000112L274 A275 L279 L281 L284 I300 Q306 L307L274-L304 HydrophobicContact CB-CD1 4.47Å; A275-L304 HydrophobicContact CB-CG 4.34Å; L279-L304 HydrophobicContact CB-CD2 4.08Å; L281-L304 HydrophobicContact CD1-CD1 4.26Å; L284-L304 HydrophobicContact CD2-CD1 4.2Å; I300-L304 HydrophobicContact CG1-CD1 4.35Å; I300-L304 HydrophobicContact CG2-CB 4.28Å; I300-L304 CarbonylContact O-C 3.27Å; I300-L304 VanDerWaalsContact O-C 3.27Å; I300-L304 VanDerWaalsContact O-CA 3.3Å; I300-L304 WeakPolarHBondContact O-CA 3.29Å; I300-L304 PolarHBondContact O-N 3.22Å; L304-Q306 PolarHBondContact O-N 3.09Å; L304-L307 HydrophobicContact CB-CD1 3.84Å; L304-L307 HydrophobicContact CB-CG 4.14Å; L304-L307 WeakPolarHBondContact O-CB 3.32Å; L304-L307 VanDerWaalsContact O-CG 3.29Å; L304-L307 WeakPolarHBondContact O-CG 3.47Å; L304-L307 PolarHBondContact O-N 3Å; L304-L307 VanDerWaalsContact O-N 3.09Å
305Y91.7Very high96.5Very high112 Ų11232.6 Ų32.644%0.43917%0.165SC..THydrogen-bonded Turntrans-60-14.3-176.860.6-92.5000114.9I300 L307I300-Y305 PolarHBondContact O-N 3.06Å; Y305-L307 VanDerWaalsContact C-N 3.32Å
306Q92.8Very high96.5Very high75 Ų7534.1 Ų34.135%0.3517%0.172SC..THydrogen-bonded Turntrans-86.31.6178-55.3-164.4-53.800113.9L304 K308L304-Q306 PolarHBondContact O-N 3.09Å; Q306-K308 PolarHBondContact O-N 3.32Å
307L96.8Very high96.5Very high0 Ų034.1 Ų34.10%017%0.172CC..  trans-60132.3179.3-83.3170.5000111.5L281 L284 I300 L304 Y305 L310 M329 L332L281-L307 HydrophobicContact CB-CD2 3.68Å; L281-L307 HydrophobicContact CB-CG 4.5Å; L281-L307 WeakPolarHBondContact O-CD2 3.43Å; L284-L307 HydrophobicContact CB-CD1 4.18Å; L284-L307 HydrophobicContact CB-CD2 3.88Å; L284-L307 HydrophobicContact CD2-CD1 4.48Å; I300-L307 HydrophobicContact CG2-CD1 3.68Å; L304-L307 HydrophobicContact CB-CD1 3.84Å; L304-L307 HydrophobicContact CB-CG 4.14Å; L304-L307 WeakPolarHBondContact O-CB 3.32Å; L304-L307 VanDerWaalsContact O-CG 3.29Å; L304-L307 WeakPolarHBondContact O-CG 3.47Å; L304-L307 PolarHBondContact O-N 3Å; L304-L307 VanDerWaalsContact O-N 3.09Å; Y305-L307 VanDerWaalsContact C-N 3.32Å; L307-L310 HydrophobicContact CD1-CD1 4.45Å; L307-M329 HydrophobicContact CB-CE 3.65Å; L307-M329 HydrophobicContact CD1-CE 4.06Å; L307-M329 HydrophobicContact CG-CE 4.48Å; L307-L332 HydrophobicContact CB-CD1 4.49Å
308K97.8Very high96.5Very high97 Ų9734.6 Ų34.642%0.42218%0.175SC..SBendtrans-100.5-23.5174-60.4-176.1-178.6175.90112.2S282 Q306 R333 T334S282-K308 WeakPolarHBondContact O-CA 3.25Å; S282-K308 PolarHBondContact O-N 3.43Å; Q306-K308 PolarHBondContact O-N 3.32Å; K308-R333 WeakPolarHBondContact O-CA 3.27Å; K308-R333 PolarHBondContact O-N 3.42Å; K308-T334 PolarHBondContact O-N 2.79Å
309S98.5Very high96.6Very high40 Ų4035 Ų3528%0.2818%0.176SC..EExtended strand (participates in β ladder)trans-136.2125.9178.6-174.90000110.4S282 G283 L284 T334S282-S309 PolarHBondContact O-N 3.19Å; G283-S309 WeakPolarHBondContact CA-O 3.49Å; L284-S309 PolarHBondContact N-O 2.64Å; S309-T334 WeakPolarHBondContact CA-O 3.31Å
310L98.6Very high96.6Very high0 Ų036.7 Ų36.70%019%0.188CC..EExtended strand (participates in β ladder)trans-131.9126.4177179.458000109.9L284 L297 I300 L307 L312 M325 M329 L332 T334 L335 N336L284-L310 HydrophobicContact CB-CD1 4.19Å; L284-L310 HydrophobicContact CD2-CD1 4.27Å; L284-L310 HydrophobicContact CG-CD1 4.33Å; L284-L310 WeakPolarHBondContact O-CA 3.47Å; L297-L310 HydrophobicContact CD2-CD2 4.2Å; I300-L310 HydrophobicContact CD1-CD1 3.86Å; I300-L310 HydrophobicContact CD1-CD2 4.28Å; I300-L310 HydrophobicContact CG2-CD2 4.32Å; L307-L310 HydrophobicContact CD1-CD1 4.45Å; L310-L312 HydrophobicContact CD1-CD1 4.08Å; L310-L312 HydrophobicContact CD1-CG 4.22Å; L310-L312 HydrophobicContact CD2-CD1 3.66Å; L310-L312 HydrophobicContact CG-CD1 3.67Å; L310-L312 HydrophobicContact CG-CG 4.22Å; L310-M325 HydrophobicContact CD2-SD 3.7Å; L310-M329 HydrophobicContact CD2-CE 4.29Å; L310-L332 HydrophobicContact CB-CD1 3.9Å; L310-T334 PolarHBondContact N-O 2.62Å; L310-L335 HydrophobicContact CB-CD1 4.39Å; L310-L335 HydrophobicContact CD2-CD1 4.45Å; L310-L335 HydrophobicContact CG-CD1 4.47Å; L310-L335 WeakPolarHBondContact O-CA 3.41Å; L310-N336 PolarHBondContact O-N 3.03Å
311S98.6Very high96.6Very high13 Ų1336.7 Ų36.79%0.09119%0.188CC..EExtended strand (participates in β ladder)trans-121.1126.2174.8-53.60000110.9L284 D285 V286 S287 N336L284-S311 PolarHBondContact O-N 3.39Å; D285-S311 WeakPolarHBondContact OD1-CB 3.45Å; V286-S311 PolarHBondContact N-O 3.09Å; S287-S311 WeakPolarHBondContact OG-CB 3.32Å; S311-N336 WeakPolarHBondContact CA-O 3.34Å; S311-N336 PolarHBondContact OG-ND2 2.82Å
312L98.1Very high96.8Very high0 Ų036.5 Ų36.50%019%0.187CC..  trans-136.328.6-176-73.2148.3000109.9V286 I292 T296 L297 L310 S314 C315 I317 N336 I337 C340V286-L312 HydrophobicContact CG2-CD2 3.41Å; V286-L312 VanDerWaalsContact CG2-CD2 3.41Å; V286-L312 HydrophobicContact CG2-CG 4.03Å; I292-L312 HydrophobicContact CG2-CD2 3.73Å; T296-L312 HydrophobicContact CG2-CD2 4.2Å; L297-L312 HydrophobicContact CD2-CD1 3.45Å; L297-L312 VanDerWaalsContact CD2-CD1 3.45Å; L297-L312 HydrophobicContact CG-CD1 4.39Å; L310-L312 HydrophobicContact CD1-CD1 4.08Å; L310-L312 HydrophobicContact CD1-CG 4.22Å; L310-L312 HydrophobicContact CD2-CD1 3.66Å; L310-L312 HydrophobicContact CG-CD1 3.67Å; L310-L312 HydrophobicContact CG-CG 4.22Å; L312-S314 PolarHBondContact O-N 3.09Å; L312-C315 HydrophobicContact CB-CB 4.43Å; L312-C315 WeakPolarHBondContact O-CB 3.4Å; L312-C315 PolarHBondContact O-N 3.37Å; L312-C315 PolarHBondContact O-SG 3.07Å; L312-I317 HydrophobicContact CB-CD1 4.01Å; L312-I317 HydrophobicContact CD1-CD1 4.23Å; L312-I317 HydrophobicContact CD2-CG2 4.49Å; L312-N336 PolarHBondContact N-O 2.92Å; L312-I337 HydrophobicContact CB-CG2 4.45Å; L312-C340 PolarHBondContact O-SG 3Å
313C97.3Very high97Very high13 Ų1331.8 Ų31.89%0.08817%0.166CC..THydrogen-bonded Turntrans-60.8138.8-175.2-610000110.3S287 F288 C315 G338S287-C313 CarbonylContact C-O 3.43Å; S287-C313 VanDerWaalsContact CA-O 3.27Å; S287-C313 WeakPolarHBondContact CA-O 3.35Å; S287-C313 WeakPolarHBondContact CB-O 3.45Å; S287-C313 PolarHBondContact OG-N 3.32Å; S287-C313 VanDerWaalsContact OG-N 3.1Å; F288-C313 HydrophobicContact CE2-CB 3.85Å; F288-C313 HydrophobicContact CZ-CB 4.39Å; F288-C313 PolarHBondContact N-O 3.36Å; C313-C315 VanDerWaalsContact C-N 3.26Å; C313-C315 PolarHBondContact O-N 3.15Å; C313-G338 CarbonylContact C-O 3.24Å; C313-G338 WeakPolarHBondContact CA-O 3.43Å; C313-G338 VanDerWaalsContact CB-O 3.28Å; C313-G338 WeakPolarHBondContact CB-O 3.25Å; C313-G338 PolarHBondContact SG-N 3.48Å
314S96.9Very high97.1Very high32 Ų3236.3 Ų36.322%0.22418%0.176CC..THydrogen-bonded Turntrans5832.4-177.9-167.10000114.1L312 G338L312-S314 PolarHBondContact O-N 3.09Å; S314-G338 PolarHBondContact N-O 3.15Å
315C97.6Very high97.1Very high4 Ų436 Ų363%0.02718%0.175CC..  trans-97.9163.8170-66.70000111.7V286 I292 L312 C313 I317V286-C315 PolarHBondContact O-SG 2.93Å; I292-C315 HydrophobicContact CB-CB 4.22Å; I292-C315 HydrophobicContact CG2-CB 3.95Å; L312-C315 HydrophobicContact CB-CB 4.43Å; L312-C315 WeakPolarHBondContact O-CB 3.4Å; L312-C315 PolarHBondContact O-N 3.37Å; L312-C315 PolarHBondContact O-SG 3.07Å; C313-C315 VanDerWaalsContact C-N 3.26Å; C313-C315 PolarHBondContact O-N 3.15Å; C315-I317 HydrophobicContact CB-CG2 4.31Å; C315-I317 PolarHBondContact O-N 2.85Å; C315-I317 VanDerWaalsContact O-N 3.08Å
316H96.8Very high97.3Very high100 Ų10030.7 Ų30.746%0.46315%0.154SC..  trans-85.537.3-178.5-66.7-36.4000114D290 I292 R342D290-H316 PolarHBondContact O-CD2 3.15Å; D290-H316 PolarHBondContact O-NE2 3.24Å; I292-H316 PolarHBondContact O-N 2.72Å; H316-R342 PolarHBondContact O-NH1 3.46Å
317I98.1Very high97.3Very high0 Ų034.1 Ų34.10%016%0.163CC..  trans-83.3152.1178.661.6169.6000112.3D294 L297 L312 C315 I337 C340 R342 I343D294-I317 VanDerWaalsContact OD1-CA 3.32Å; D294-I317 WeakPolarHBondContact OD1-CA 3.48Å; L297-I317 HydrophobicContact CD1-CB 4.02Å; L297-I317 HydrophobicContact CD1-CD1 4.27Å; L297-I317 HydrophobicContact CD1-CG2 3.9Å; L297-I317 HydrophobicContact CG-CG2 4.2Å; L312-I317 HydrophobicContact CB-CD1 4.01Å; L312-I317 HydrophobicContact CD1-CD1 4.23Å; L312-I317 HydrophobicContact CD2-CG2 4.49Å; C315-I317 HydrophobicContact CB-CG2 4.31Å; C315-I317 PolarHBondContact O-N 2.85Å; C315-I317 VanDerWaalsContact O-N 3.08Å; I317-I337 HydrophobicContact CD1-CB 4.38Å; I317-I337 HydrophobicContact CD1-CG2 3.78Å; I317-C340 HydrophobicContact CD1-CB 4.3Å; I317-C340 HydrophobicContact CG1-CB 3.89Å; I317-C340 VanDerWaalsContact CG1-SG 3.59Å; I317-R342 WeakPolarHBondContact O-CB 3.4Å; I317-I343 HydrophobicContact CD1-CD1 3.82Å; I317-I343 HydrophobicContact CG1-CD1 4.03Å; I317-I343 HydrophobicContact CG1-CG1 4.49Å
318S98.3Very high97.2Very high10 Ų1039.5 Ų39.57%0.0719%0.189CC..BIsolated β-bridgetrans-132.5177-177.980.70000112.1D294 D320 G321 I322D294-S318 PolarHBondContact OD1-N 2.76Å; D294-S318 PolarHBondContact OD1-OG 3.16Å; D294-S318 PolarHBondContact OD2-OG 2.63Å; S318-D320 PolarHBondContact O-N 3.17Å; S318-D320 PolarHBondContact OG-N 2.94Å; S318-G321 PolarHBondContact O-N 3.06Å; S318-G321 VanDerWaalsContact O-N 3.09Å; S318-I322 PolarHBondContact O-N 3.29Å; S318-I322 VanDerWaalsContact O-N 3.09Å
319D98.4Very high97Very high17 Ų1734.9 Ų34.99%0.09117%0.168CC..Hα-helixtrans-57-30176.3-58.6-27.2000112.8I322 N323 I343 T344 K346 G347D319-I322 PolarHBondContact O-N 3.03Å; D319-N323 WeakPolarHBondContact O-CB 3.45Å; D319-N323 PolarHBondContact O-N 3.25Å; D319-I343 WeakPolarHBondContact OD1-CA 3.17Å; D319-T344 PolarHBondContact OD1-N 3.28Å; D319-T344 WeakPolarHBondContact OD2-CB 3.36Å; D319-T344 PolarHBondContact OD2-OG1 2.84Å; D319-K346 HydrophobicContact CB-CD 4.27Å; D319-K346 HydrophobicContact CB-CG 4.44Å; D319-G347 VanDerWaalsContact OD1-CA 3.25Å; D319-G347 WeakPolarHBondContact OD1-CA 3.49Å; D319-G347 PolarHBondContact OD1-N 2.92Å; D319-G347 VanDerWaalsContact OD1-N 3.12Å
320D97.9Very high96.7Very high84 Ų8437.4 Ų37.445%0.44918%0.176SC..Hα-helixtrans-70.7-37.7177.7-70-34.9000111.9S318 N323 R324 K346S318-D320 PolarHBondContact O-N 3.17Å; S318-D320 PolarHBondContact OG-N 2.94Å; D320-N323 PolarHBondContact O-N 2.86Å; D320-R324 WeakPolarHBondContact O-CG 3.47Å; D320-R324 PolarHBondContact O-N 2.96Å; D320-K346 IonicContact OD1-NZ 2.92Å
321G97.8Very high96.4Very high0 Ų042 Ų420%020%0.197CC..Hα-helixtrans-64.4-43.5171.500000111.8D294 S318 N323 R324 M325D294-G321 VanDerWaalsContact OD1-CA 3.31Å; D294-G321 WeakPolarHBondContact OD1-CA 3.45Å; D294-G321 PolarHBondContact OD1-N 2.79Å; S318-G321 PolarHBondContact O-N 3.06Å; S318-G321 VanDerWaalsContact O-N 3.09Å; G321-N323 PolarHBondContact O-N 3.46Å; G321-R324 PolarHBondContact O-N 2.95Å; G321-M325 PolarHBondContact O-N 3.43Å
322I98.2Very high96.4Very high0 Ų041.4 Ų41.40%019%0.193CC..Hα-helixtrans-58.9-47.7174.9-64.4-61.5000110.8L297 S318 D319 R324 M325 V326 I343 L350 I351L297-I322 HydrophobicContact CD1-CD1 4.11Å; S318-I322 PolarHBondContact O-N 3.29Å; S318-I322 VanDerWaalsContact O-N 3.09Å; D319-I322 PolarHBondContact O-N 3.03Å; I322-R324 PolarHBondContact O-N 2.86Å; I322-M325 HydrophobicContact CD1-CE 4Å; I322-M325 PolarHBondContact O-N 3.47Å; I322-V326 HydrophobicContact CG2-CG1 3.85Å; I322-V326 WeakPolarHBondContact O-CG1 3.49Å; I322-V326 WeakPolarHBondContact O-CG2 3.43Å; I322-V326 PolarHBondContact O-N 2.99Å; I322-I343 HydrophobicContact CD1-CD1 4.3Å; I322-I343 HydrophobicContact CG1-CD1 4.24Å; I322-L350 HydrophobicContact CG2-CB 4.3Å; I322-I351 HydrophobicContact CD1-CD1 4.42Å; I322-I351 HydrophobicContact CG2-CD1 4Å; I322-I351 HydrophobicContact CG2-CG1 3.61Å
323N97.8Very high96.4Very high43 Ų4345.6 Ų45.623%0.2321%0.209CC..Hα-helixtrans-54.9-38.2177.1-17720.9000112.8D319 D320 G321 R327 L350D319-N323 WeakPolarHBondContact O-CB 3.45Å; D319-N323 PolarHBondContact O-N 3.25Å; D320-N323 PolarHBondContact O-N 2.86Å; G321-N323 PolarHBondContact O-N 3.46Å; N323-R327 WeakPolarHBondContact O-CG 3.36Å; N323-R327 PolarHBondContact O-NE 2.89Å; N323-R327 PolarHBondContact OD1-NH2 3.31Å; N323-L350 HydrophobicContact CB-CD1 3.73Å
324R95.9Very high96.4Very high117 Ų11747.1 Ų47.144%0.44222%0.218SC..Hα-helixtrans-69.4-42.5176.3-66.2172.8-171.8-168.60.9111.5D320 G321 I322D320-R324 WeakPolarHBondContact O-CG 3.47Å; D320-R324 PolarHBondContact O-N 2.96Å; G321-R324 PolarHBondContact O-N 2.95Å; I322-R324 PolarHBondContact O-N 2.86Å
325M96.2Very high96.5Very high0 Ų045.6 Ų45.60%021%0.207CC..Hα-helixtrans-66.4-50-177.1-177.2-169.264.900113.1L297 L310 G321 I322 R327 Q328 M329 L335 L355L297-M325 HydrophobicContact CB-CB 4.21Å; L297-M325 HydrophobicContact CD2-CB 4.2Å; L297-M325 HydrophobicContact CD2-CG 4.15Å; L297-M325 HydrophobicContact CD2-SD 3.54Å; L297-M325 VanDerWaalsContact CD2-SD 3.54Å; L310-M325 HydrophobicContact CD2-SD 3.7Å; G321-M325 PolarHBondContact O-N 3.43Å; I322-M325 HydrophobicContact CD1-CE 4Å; I322-M325 PolarHBondContact O-N 3.47Å; M325-R327 PolarHBondContact O-N 3.18Å; M325-Q328 PolarHBondContact O-N 3.31Å; M325-M329 HydrophobicContact CG-CB 4.18Å; M325-M329 HydrophobicContact CG-CG 3.63Å; M325-M329 WeakPolarHBondContact O-CG 3.49Å; M325-M329 PolarHBondContact O-N 3.43Å; M325-L335 HydrophobicContact CE-CD1 4.34Å; M325-L335 HydrophobicContact CE-CD2 4.01Å; M325-L355 HydrophobicContact CE-CD1 4.31Å
326V96.1Very high96.5Very high0 Ų047.3 Ų47.30%022%0.216CC..Hα-helixtrans-66.1-15.4-168.8-62.80000113.8I322 Q328 L350 I351 H354 L355I322-V326 HydrophobicContact CG2-CG1 3.85Å; I322-V326 WeakPolarHBondContact O-CG1 3.49Å; I322-V326 WeakPolarHBondContact O-CG2 3.43Å; I322-V326 PolarHBondContact O-N 2.99Å; V326-Q328 VanDerWaalsContact C-N 3.27Å; V326-Q328 PolarHBondContact O-N 3.45Å; V326-L350 HydrophobicContact CG2-CB 4.44Å; V326-I351 HydrophobicContact CG1-CG1 4.19Å; V326-H354 HydrophobicContact CB-CB 3.79Å; V326-H354 HydrophobicContact CG2-CB 4.1Å; V326-L355 HydrophobicContact CB-CD2 4.39Å; V326-L355 HydrophobicContact CB-CG 4.42Å; V326-L355 HydrophobicContact CG1-CD1 4.01Å; V326-L355 HydrophobicContact CG1-CD2 4.32Å; V326-L355 HydrophobicContact CG1-CG 3.97Å
327R92.6Very high96.5Very high146 Ų14642.5 Ų42.555%0.55119%0.194SC*.THydrogen-bonded Turntrans-70.7-16.5177.8-68.7175-174.3-143.2-3.7114.7N323 M325 H330N323-R327 WeakPolarHBondContact O-CG 3.36Å; N323-R327 PolarHBondContact O-NE 2.89Å; N323-R327 PolarHBondContact OD1-NH2 3.31Å; M325-R327 PolarHBondContact O-N 3.18Å; R327-H330 PolarHBondContact O-NE2 3.22Å
328Q94.3Very high96.4Very high114 Ų11442.6 Ų42.653%0.53319%0.194SC..THydrogen-bonded Turntrans-128.9-28.5-176-60.7-64.3-61.600112.8A301 M325 V326 H330A301-Q328 HydrophobicContact CB-CB 4.2Å; A301-Q328 HydrophobicContact CB-CG 4.36Å; A301-Q328 WeakPolarHBondContact O-CB 3.27Å; M325-Q328 PolarHBondContact O-N 3.31Å; V326-Q328 VanDerWaalsContact C-N 3.27Å; V326-Q328 PolarHBondContact O-N 3.45Å; Q328-H330 VanDerWaalsContact C-N 3.26Å; Q328-H330 PolarHBondContact O-N 3.11Å
329M94.2Very high96.3Very high0 Ų045.2 Ų45.20%021%0.205CC..  trans-84.349.2-168.1-65.6-82.5-65.100113.7I300 L307 L310 M325 E331 L332 L355I300-M329 HydrophobicContact CG2-CE 3.81Å; I300-M329 HydrophobicContact CG2-SD 3.82Å; L307-M329 HydrophobicContact CB-CE 3.65Å; L307-M329 HydrophobicContact CD1-CE 4.06Å; L307-M329 HydrophobicContact CG-CE 4.48Å; L310-M329 HydrophobicContact CD2-CE 4.29Å; M325-M329 HydrophobicContact CG-CB 4.18Å; M325-M329 HydrophobicContact CG-CG 3.63Å; M325-M329 WeakPolarHBondContact O-CG 3.49Å; M325-M329 PolarHBondContact O-N 3.43Å; M329-E331 VanDerWaalsContact C-N 3.27Å; M329-E331 PolarHBondContact O-N 2.9Å; M329-L332 HydrophobicContact CE-CD1 4.02Å; M329-L332 HydrophobicContact CE-CD2 4.48Å; M329-L332 WeakPolarHBondContact O-CB 3.31Å; M329-L332 PolarHBondContact O-N 2.86Å; M329-L355 WeakPolarHBondContact O-CD2 3.28Å
330H91.1Very high96.2Very high93 Ų9344.4 Ų44.443%0.43120%0.201SC..THydrogen-bonded Turntrans-71-18-172.8-57.3-62000114.7R327 Q328 L332R327-H330 PolarHBondContact O-NE2 3.22Å; Q328-H330 VanDerWaalsContact C-N 3.26Å; Q328-H330 PolarHBondContact O-N 3.11Å; H330-L332 VanDerWaalsContact C-N 3.31Å
331E93.1Very high96Very high97 Ų9743.9 Ų43.945%0.45320%0.201SC..THydrogen-bonded Turntrans-86.1-0.9177.7-69.3-64.2143.800113.5M329 R333M329-E331 VanDerWaalsContact C-N 3.27Å; M329-E331 PolarHBondContact O-N 2.9Å; E331-R333 WeakPolarHBondContact O-CG 3.48Å; E331-R333 PolarHBondContact O-N 3.04Å
332L97.3Very high96Very high0 Ų049.8 Ų49.80%022%0.223CC..  trans-68.3123.8-175.5-166.268.9000110.9L307 L310 M329 H330 L335 L355 L358L307-L332 HydrophobicContact CB-CD1 4.49Å; L310-L332 HydrophobicContact CB-CD1 3.9Å; M329-L332 HydrophobicContact CE-CD1 4.02Å; M329-L332 HydrophobicContact CE-CD2 4.48Å; M329-L332 WeakPolarHBondContact O-CB 3.31Å; M329-L332 PolarHBondContact O-N 2.86Å; H330-L332 VanDerWaalsContact C-N 3.31Å; L332-L335 HydrophobicContact CD2-CB 3.96Å; L332-L335 HydrophobicContact CD2-CD1 4.11Å; L332-L335 HydrophobicContact CD2-CD2 4.46Å; L332-L335 HydrophobicContact CD2-CG 4.39Å; L332-L355 HydrophobicContact CD2-CD1 4.09Å; L332-L358 HydrophobicContact CG-CD1 4.38Å
333R97.8Very high96Very high88 Ų8849.8 Ų49.833%0.33222%0.223SC..  trans-108.1-29.4-178.8-59-169.3-178.7-81.2-6.2112.9K308 E331 V359 G360K308-R333 WeakPolarHBondContact O-CA 3.27Å; K308-R333 PolarHBondContact O-N 3.42Å; E331-R333 WeakPolarHBondContact O-CG 3.48Å; E331-R333 PolarHBondContact O-N 3.04Å; R333-V359 HydrophobicContact CB-CG2 4.3Å; R333-V359 WeakPolarHBondContact O-CA 3.26Å; R333-V359 PolarHBondContact O-N 3.24Å; R333-G360 PolarHBondContact O-N 3.48Å
334T98.4Very high96Very high45 Ų4549.8 Ų49.828%0.27622%0.224SC..EExtended strand (participates in β ladder)trans-130.8124.9178.1-53.10000110K308 S309 L310 G360K308-T334 PolarHBondContact O-N 2.79Å; S309-T334 WeakPolarHBondContact CA-O 3.31Å; L310-T334 PolarHBondContact N-O 2.62Å; T334-G360 VanDerWaalsContact CA-O 3.31Å; T334-G360 WeakPolarHBondContact CA-O 3.46Å
335L98.3Very high96.1Very high0 Ų044.4 Ų44.40%021%0.205CC..EExtended strand (participates in β ladder)trans-126.7113175.9177.960.3000109.7L310 M325 L332 I337 I351 L355 L358 G360 I361 D362L310-L335 HydrophobicContact CB-CD1 4.39Å; L310-L335 HydrophobicContact CD2-CD1 4.45Å; L310-L335 HydrophobicContact CG-CD1 4.47Å; L310-L335 WeakPolarHBondContact O-CA 3.41Å; M325-L335 HydrophobicContact CE-CD1 4.34Å; M325-L335 HydrophobicContact CE-CD2 4.01Å; L332-L335 HydrophobicContact CD2-CB 3.96Å; L332-L335 HydrophobicContact CD2-CD1 4.11Å; L332-L335 HydrophobicContact CD2-CD2 4.46Å; L332-L335 HydrophobicContact CD2-CG 4.39Å; L335-I337 HydrophobicContact CD1-CG2 3.71Å; L335-I337 HydrophobicContact CD2-CD1 4.49Å; L335-I337 HydrophobicContact CD2-CG2 4.43Å; L335-I337 HydrophobicContact CG-CG2 3.92Å; L335-I351 HydrophobicContact CD2-CD1 3.83Å; L335-I351 HydrophobicContact CD2-CG1 4.3Å; L335-L355 HydrophobicContact CD2-CD1 4.25Å; L335-L358 HydrophobicContact CB-CD1 3.89Å; L335-G360 PolarHBondContact N-O 2.75Å; L335-I361 HydrophobicContact CB-CG1 4.46Å; L335-I361 VanDerWaalsContact O-CA 3.25Å; L335-I361 WeakPolarHBondContact O-CA 3.5Å; L335-I361 WeakPolarHBondContact O-CG1 3.38Å; L335-D362 PolarHBondContact O-N 2.95Å
336N98Very high96.1Very high39 Ų3949.4 Ų49.421%0.20923%0.226CC..EExtended strand (participates in β ladder)trans-107.3112.6176.5-57-35000109.4L310 S311 L312 D362L310-N336 PolarHBondContact O-N 3.03Å; S311-N336 WeakPolarHBondContact CA-O 3.34Å; S311-N336 PolarHBondContact OG-ND2 2.82Å; L312-N336 PolarHBondContact N-O 2.92Å; N336-D362 HydrophobicContact CB-CB 3.93Å; N336-D362 WeakPolarHBondContact OD1-CB 3.45Å
337I97.3Very high96.2Very high0 Ų049.4 Ų49.40%023%0.226CC..  trans-13025.7-177.752.9169.7000110.9L312 I317 L335 C340 I343 I351 D362 L363 C366L312-I337 HydrophobicContact CB-CG2 4.45Å; I317-I337 HydrophobicContact CD1-CB 4.38Å; I317-I337 HydrophobicContact CD1-CG2 3.78Å; L335-I337 HydrophobicContact CD1-CG2 3.71Å; L335-I337 HydrophobicContact CD2-CD1 4.49Å; L335-I337 HydrophobicContact CD2-CG2 4.43Å; L335-I337 HydrophobicContact CG-CG2 3.92Å; I337-C340 HydrophobicContact CB-CB 4.49Å; I337-C340 WeakPolarHBondContact O-CB 3.27Å; I337-C340 PolarHBondContact O-N 3.47Å; I337-C340 PolarHBondContact O-SG 3.14Å; I337-I343 HydrophobicContact CB-CD1 3.94Å; I337-I343 HydrophobicContact CD1-CD1 3.58Å; I337-I343 HydrophobicContact CD1-CG2 4.47Å; I337-I343 HydrophobicContact CG1-CD1 4.25Å; I337-I343 HydrophobicContact CG2-CD1 4.34Å; I337-I351 HydrophobicContact CD1-CD1 4.09Å; I337-D362 CarbonylContact C-O 3.51Å; I337-D362 WeakPolarHBondContact CG1-O 3.32Å; I337-D362 PolarHBondContact N-O 3.32Å; I337-L363 HydrophobicContact CD1-CD2 3.59Å; I337-L363 HydrophobicContact CG1-CD2 3.68Å; I337-C366 PolarHBondContact O-SG 3.09Å
338G96Very high96.5Very high1 Ų142.4 Ų42.41%0.0120%0.2CC..THydrogen-bonded Turntrans-58.2144.1177.900000111.6C313 S314 C340 D362 Y364C313-G338 CarbonylContact C-O 3.24Å; C313-G338 WeakPolarHBondContact CA-O 3.43Å; C313-G338 VanDerWaalsContact CB-O 3.28Å; C313-G338 WeakPolarHBondContact CB-O 3.25Å; C313-G338 PolarHBondContact SG-N 3.48Å; S314-G338 PolarHBondContact N-O 3.15Å; G338-C340 PolarHBondContact O-N 2.8Å; G338-D362 PolarHBondContact N-O 3.17Å; G338-D362 VanDerWaalsContact N-O 3.13Å; G338-Y364 CarbonylContact C-O 3.57Å; G338-Y364 WeakPolarHBondContact CA-O 3.09Å
339Q95.5Very high96.6Very high66 Ų6640 Ų4031%0.30819%0.189SC..THydrogen-bonded Turntrans63.412.9-177.5-56.8-177-4300114.2V341 Y364Q339-V341 VanDerWaalsContact C-N 3.27Å; Q339-V341 PolarHBondContact O-N 3.25Å; Q339-Y364 HydrophobicContact CG-CD1 3.77Å; Q339-Y364 HydrophobicContact CG-CE1 3.75Å; Q339-Y364 PolarHBondContact N-O 3.39Å
340C96.5Very high96.8Very high0 Ų041.4 Ų41.40%020%0.196CC..  trans-79.178.3169.4-64.70000110L312 I317 I337 G338 R342 I343L312-C340 PolarHBondContact O-SG 3Å; I317-C340 HydrophobicContact CD1-CB 4.3Å; I317-C340 HydrophobicContact CG1-CB 3.89Å; I317-C340 VanDerWaalsContact CG1-SG 3.59Å; I337-C340 HydrophobicContact CB-CB 4.49Å; I337-C340 WeakPolarHBondContact O-CB 3.27Å; I337-C340 PolarHBondContact O-N 3.47Å; I337-C340 PolarHBondContact O-SG 3.14Å; G338-C340 PolarHBondContact O-N 2.8Å; C340-R342 PolarHBondContact O-N 3.33Å; C340-I343 HydrophobicContact CB-CD1 3.58Å; C340-I343 HydrophobicContact CB-CG1 3.93Å; C340-I343 PolarHBondContact O-N 3.4Å
341V94.5Very high97.1Very high73 Ų7337 Ų3744%0.44218%0.175SC..THydrogen-bonded Turntrans-62.3-7.7-171.5-61.10000115.7Q339 K368Q339-V341 VanDerWaalsContact C-N 3.27Å; Q339-V341 PolarHBondContact O-N 3.25Å; V341-K368 VanDerWaalsContact O-CD 3.25Å; V341-K368 WeakPolarHBondContact O-CD 3.48Å; V341-K368 WeakPolarHBondContact O-CE 3.4Å; V341-K368 WeakPolarHBondContact O-CG 3.5Å
342R96.9Very high97.3Very high124 Ų12433 Ų3347%0.46816%0.159SC..BIsolated β-bridgetrans-96.4-6177.4-60.8172.665.7-170.12.4113.1H316 I317 C340H316-R342 PolarHBondContact O-NH1 3.46Å; I317-R342 WeakPolarHBondContact O-CB 3.4Å; C340-R342 PolarHBondContact O-N 3.33Å
343I97.4Very high97.2Very high0 Ų037.2 Ų37.20%018%0.182CC..  trans-81.9134.9174.8-61.8-179.3000109.4I317 D319 I322 I337 C340 K368 I369I317-I343 HydrophobicContact CD1-CD1 3.82Å; I317-I343 HydrophobicContact CG1-CD1 4.03Å; I317-I343 HydrophobicContact CG1-CG1 4.49Å; D319-I343 WeakPolarHBondContact OD1-CA 3.17Å; I322-I343 HydrophobicContact CD1-CD1 4.3Å; I322-I343 HydrophobicContact CG1-CD1 4.24Å; I337-I343 HydrophobicContact CB-CD1 3.94Å; I337-I343 HydrophobicContact CD1-CD1 3.58Å; I337-I343 HydrophobicContact CD1-CG2 4.47Å; I337-I343 HydrophobicContact CG1-CD1 4.25Å; I337-I343 HydrophobicContact CG2-CD1 4.34Å; C340-I343 HydrophobicContact CB-CD1 3.58Å; C340-I343 HydrophobicContact CB-CG1 3.93Å; C340-I343 PolarHBondContact O-N 3.4Å; I343-K368 WeakPolarHBondContact O-CB 3.45Å; I343-I369 HydrophobicContact CG2-CD1 4.3Å
344T97.9Very high97.1Very high42 Ų4236.3 Ų36.326%0.25818%0.181SC..  trans-122-176.6179.680.50000111.1D319 K346 G347 L348 K368D319-T344 PolarHBondContact OD1-N 3.28Å; D319-T344 WeakPolarHBondContact OD2-CB 3.36Å; D319-T344 PolarHBondContact OD2-OG1 2.84Å; T344-K346 PolarHBondContact O-N 2.95Å; T344-K346 VanDerWaalsContact O-N 3.15Å; T344-K346 PolarHBondContact OG1-N 3.06Å; T344-G347 PolarHBondContact O-N 2.86Å; T344-L348 PolarHBondContact O-N 2.99Å; T344-K368 HydrophobicContact CG2-CB 4.07Å; T344-K368 HydrophobicContact CG2-CD 4.2Å
345D97.8Very high97Very high5 Ų534.3 Ų34.33%0.02717%0.168CC..Hα-helixtrans-51.7-33.7171.8-63.9-19.1000112.9G347 L348 E349 T370 R372 G373D345-G347 VanDerWaalsContact C-N 3.32Å; D345-G347 PolarHBondContact O-N 3.26Å; D345-L348 WeakPolarHBondContact O-CB 3.48Å; D345-L348 PolarHBondContact O-N 3.37Å; D345-L348 VanDerWaalsContact O-N 3.12Å; D345-E349 WeakPolarHBondContact O-CG 3.38Å; D345-E349 PolarHBondContact O-N 2.99Å; D345-T370 VanDerWaalsContact CG-OG1 3.3Å; D345-T370 PolarHBondContact OD1-N 3.26Å; D345-T370 PolarHBondContact OD1-OG1 3.05Å; D345-T370 PolarHBondContact OD2-OG1 2.92Å; D345-R372 IonicContact OD2-CZ 2.8Å; D345-R372 IonicContact OD2-NE 4Å; D345-R372 PolarHBondContact OD2-NE 2.96Å; D345-R372 IonicContact OD2-NH2 2.81Å; D345-R372 PolarHBondContact OD2-NH2 3.28Å; D345-G373 WeakPolarHBondContact OD1-CA 3Å; D345-G373 PolarHBondContact OD1-N 3.39Å
346K98.1Very high96.8Very high104 Ų10437.5 Ų37.545%0.45219%0.188SC..Hα-helixtrans-60.7-42.2177.9-179.9-172.5175.7-167.20111.3D319 D320 T344 L348 E349 L350D319-K346 HydrophobicContact CB-CD 4.27Å; D319-K346 HydrophobicContact CB-CG 4.44Å; D320-K346 IonicContact OD1-NZ 2.92Å; T344-K346 PolarHBondContact O-N 2.95Å; T344-K346 VanDerWaalsContact O-N 3.15Å; T344-K346 PolarHBondContact OG1-N 3.06Å; K346-L348 VanDerWaalsContact C-N 3.32Å; K346-E349 PolarHBondContact O-N 3.33Å; K346-L350 HydrophobicContact CG-CD1 4.43Å; K346-L350 VanDerWaalsContact O-CG 3.28Å; K346-L350 WeakPolarHBondContact O-CG 3.34Å; K346-L350 PolarHBondContact O-N 3.12Å; K346-L350 VanDerWaalsContact O-N 3.09Å
347G97.9Very high96.7Very high0 Ų039.1 Ų39.10%020%0.195CC..Hα-helixtrans-63.2-39.8175.100000111.9D319 T344 D345 L350 I351D319-G347 VanDerWaalsContact OD1-CA 3.25Å; D319-G347 WeakPolarHBondContact OD1-CA 3.49Å; D319-G347 PolarHBondContact OD1-N 2.92Å; D319-G347 VanDerWaalsContact OD1-N 3.12Å; T344-G347 PolarHBondContact O-N 2.86Å; D345-G347 VanDerWaalsContact C-N 3.32Å; D345-G347 PolarHBondContact O-N 3.26Å; G347-L350 PolarHBondContact O-N 3.37Å; G347-I351 WeakPolarHBondContact O-CD1 3.21Å; G347-I351 VanDerWaalsContact O-CG1 3.27Å; G347-I351 WeakPolarHBondContact O-CG1 3.38Å; G347-I351 PolarHBondContact O-N 3.25Å
348L97.8Very high96.7Very high0 Ų039.1 Ų39.10%020%0.195CC..Hα-helixtrans-67.7-40176.5-69.4-161.5000113.4T344 D345 K346 L350 I351 A352 L363 I369 G373 L374 I377T344-L348 PolarHBondContact O-N 2.99Å; D345-L348 WeakPolarHBondContact O-CB 3.48Å; D345-L348 PolarHBondContact O-N 3.37Å; D345-L348 VanDerWaalsContact O-N 3.12Å; K346-L348 VanDerWaalsContact C-N 3.32Å; L348-L350 VanDerWaalsContact C-N 3.34Å; L348-I351 HydrophobicContact CD2-CD1 4.2Å; L348-I351 PolarHBondContact O-N 3.34Å; L348-A352 WeakPolarHBondContact O-CB 3.38Å; L348-A352 PolarHBondContact O-N 3.48Å; L348-L363 HydrophobicContact CD1-CD1 3.98Å; L348-L363 HydrophobicContact CD2-CD1 4.01Å; L348-L363 HydrophobicContact CD2-CD2 3.83Å; L348-I369 HydrophobicContact CD1-CB 4.43Å; L348-I369 HydrophobicContact CD1-CD1 3.91Å; L348-I369 HydrophobicContact CD1-CG1 4.21Å; L348-I369 HydrophobicContact CD1-CG2 3.41Å; L348-I369 VanDerWaalsContact CD1-CG2 3.41Å; L348-I369 HydrophobicContact CD2-CD1 4.02Å; L348-I369 HydrophobicContact CG-CD1 3.98Å; L348-I369 HydrophobicContact CG-CG1 4.34Å; L348-I369 HydrophobicContact CG-CG2 4.39Å; L348-G373 VanDerWaalsContact CD1-C 3.42Å; L348-G373 WeakPolarHBondContact CD1-O 3.38Å; L348-L374 HydrophobicContact CD1-CD2 4.14Å; L348-I377 HydrophobicContact CB-CD1 4.15Å; L348-I377 HydrophobicContact CB-CG1 3.79Å; L348-I377 HydrophobicContact CD1-CG1 3.77Å; L348-I377 HydrophobicContact CD2-CD1 4.07Å; L348-I377 HydrophobicContact CD2-CG1 3.88Å; L348-I377 HydrophobicContact CG-CG1 4.01Å; L348-I377 WeakPolarHBondContact O-CD1 3.45Å
349E97.6Very high96.7Very high63 Ų6341.1 Ų41.129%0.29421%0.206SC..Hα-helixtrans-58-47.8172.8-75.7169.3-169.600110.6D345 K346 I351 A352 D353 R376D345-E349 WeakPolarHBondContact O-CG 3.38Å; D345-E349 PolarHBondContact O-N 2.99Å; K346-E349 PolarHBondContact O-N 3.33Å; E349-I351 VanDerWaalsContact C-N 3.34Å; E349-I351 PolarHBondContact O-N 3.14Å; E349-A352 PolarHBondContact O-N 3.39Å; E349-D353 WeakPolarHBondContact O-CB 3.37Å; E349-D353 PolarHBondContact O-N 3.11Å; E349-R376 HydrophobicContact CG-CG 4.04Å
350L97.8Very high96.8Very high29 Ų2938.2 Ų38.215%0.15219%0.194CC..Hα-helixtrans-59.8-41.8176.9-70.3167000112.7I322 N323 V326 K346 G347 L348 H354I322-L350 HydrophobicContact CG2-CB 4.3Å; N323-L350 HydrophobicContact CB-CD1 3.73Å; V326-L350 HydrophobicContact CG2-CB 4.44Å; K346-L350 HydrophobicContact CG-CD1 4.43Å; K346-L350 VanDerWaalsContact O-CG 3.28Å; K346-L350 WeakPolarHBondContact O-CG 3.34Å; K346-L350 PolarHBondContact O-N 3.12Å; K346-L350 VanDerWaalsContact O-N 3.09Å; G347-L350 PolarHBondContact O-N 3.37Å; L348-L350 VanDerWaalsContact C-N 3.34Å; L350-H354 PolarHBondContact O-N 3.4Å; L350-H354 PolarHBondContact O-ND1 2.81Å
351I97.4Very high96.8Very high0 Ų038.3 Ų38.30%020%0.195CC..Hα-helixtrans-63.9-48.3175.2-68.5163.2000110I322 V326 L335 I337 G347 L348 E349 D353 H354 L355 L358 I361 I377I322-I351 HydrophobicContact CD1-CD1 4.42Å; I322-I351 HydrophobicContact CG2-CD1 4Å; I322-I351 HydrophobicContact CG2-CG1 3.61Å; V326-I351 HydrophobicContact CG1-CG1 4.19Å; L335-I351 HydrophobicContact CD2-CD1 3.83Å; L335-I351 HydrophobicContact CD2-CG1 4.3Å; I337-I351 HydrophobicContact CD1-CD1 4.09Å; G347-I351 WeakPolarHBondContact O-CD1 3.21Å; G347-I351 VanDerWaalsContact O-CG1 3.27Å; G347-I351 WeakPolarHBondContact O-CG1 3.38Å; G347-I351 PolarHBondContact O-N 3.25Å; L348-I351 HydrophobicContact CD2-CD1 4.2Å; L348-I351 PolarHBondContact O-N 3.34Å; E349-I351 VanDerWaalsContact C-N 3.34Å; E349-I351 PolarHBondContact O-N 3.14Å; I351-D353 VanDerWaalsContact C-N 3.28Å; I351-D353 PolarHBondContact O-N 2.87Å; I351-H354 PolarHBondContact O-N 3Å; I351-L355 HydrophobicContact CB-CD1 4.44Å; I351-L355 HydrophobicContact CG1-CD1 4.34Å; I351-L355 HydrophobicContact CG2-CB 4.25Å; I351-L355 HydrophobicContact CG2-CD1 3.87Å; I351-L355 HydrophobicContact CG2-CG 4.37Å; I351-L355 WeakPolarHBondContact O-CB 3.42Å; I351-L355 PolarHBondContact O-N 3.33Å; I351-L358 HydrophobicContact CG2-CD2 3.99Å; I351-I361 HydrophobicContact CD1-CD1 4.42Å; I351-I361 HydrophobicContact CG2-CD1 4.3Å; I351-I377 HydrophobicContact CB-CD1 4.06Å; I351-I377 HydrophobicContact CG2-CD1 3.75Å
352A96.5Very high96.9Very high13 Ų1336.2 Ų36.211%0.10718%0.181CC..Hα-helixtrans-59.3-40.1-179.200000112.1L348 E349 R376 I377L348-A352 WeakPolarHBondContact O-CB 3.38Å; L348-A352 PolarHBondContact O-N 3.48Å; E349-A352 PolarHBondContact O-N 3.39Å; A352-R376 HydrophobicContact CB-CB 4.17Å; A352-I377 HydrophobicContact CB-CD1 4.31Å
353D95.8Very high96.9Very high89 Ų8930.3 Ų30.348%0.47616%0.159SC..Hα-helixtrans-74.5-25-176.2-67.1-11.2000113.2E349 I351 R376E349-D353 WeakPolarHBondContact O-CB 3.37Å; E349-D353 PolarHBondContact O-N 3.11Å; I351-D353 VanDerWaalsContact C-N 3.28Å; I351-D353 PolarHBondContact O-N 2.87Å; D353-R376 IonicContact OD1-NH2 3.76Å; D353-R376 PolarHBondContact OD1-NH2 3.35Å
354H96Very high96.6Very high70 Ų7034 Ų3432%0.32417%0.173SC..Hα-helixtrans-119.2-31.2-170.7-63.581.9000115V326 L350 I351 T356V326-H354 HydrophobicContact CB-CB 3.79Å; V326-H354 HydrophobicContact CG2-CB 4.1Å; L350-H354 PolarHBondContact O-N 3.4Å; L350-H354 PolarHBondContact O-ND1 2.81Å; I351-H354 PolarHBondContact O-N 3Å; H354-T356 PolarHBondContact O-N 3.24Å
355L95.8Very high96.3Very high2 Ų232.9 Ų32.91%0.0117%0.171CC..  trans-99.356.3-174.8-57.7-174.1000111.7M325 V326 M329 L332 L335 I351 Q357 L358M325-L355 HydrophobicContact CE-CD1 4.31Å; V326-L355 HydrophobicContact CB-CD2 4.39Å; V326-L355 HydrophobicContact CB-CG 4.42Å; V326-L355 HydrophobicContact CG1-CD1 4.01Å; V326-L355 HydrophobicContact CG1-CD2 4.32Å; V326-L355 HydrophobicContact CG1-CG 3.97Å; M329-L355 WeakPolarHBondContact O-CD2 3.28Å; L332-L355 HydrophobicContact CD2-CD1 4.09Å; L335-L355 HydrophobicContact CD2-CD1 4.25Å; I351-L355 HydrophobicContact CB-CD1 4.44Å; I351-L355 HydrophobicContact CG1-CD1 4.34Å; I351-L355 HydrophobicContact CG2-CB 4.25Å; I351-L355 HydrophobicContact CG2-CD1 3.87Å; I351-L355 HydrophobicContact CG2-CG 4.37Å; I351-L355 WeakPolarHBondContact O-CB 3.42Å; I351-L355 PolarHBondContact O-N 3.33Å; L355-Q357 PolarHBondContact O-N 3.11Å; L355-Q357 VanDerWaalsContact O-N 3.12Å; L355-L358 HydrophobicContact CB-CB 4.37Å; L355-L358 VanDerWaalsContact O-CB 3.24Å; L355-L358 WeakPolarHBondContact O-CB 3.38Å; L355-L358 PolarHBondContact O-N 3.02Å; L355-L358 VanDerWaalsContact O-N 3.09Å
356T94Very high96.1Very high67 Ų6732.7 Ų32.741%0.41117%0.17SC..THydrogen-bonded Turntrans-65.4-17.5-17459.20000114.4H354 P381H354-T356 PolarHBondContact O-N 3.24Å; T356-P381 WeakPolarHBondContact O-CG 3.49Å
357Q95.7Very high95.8Very high74 Ų7433.1 Ų33.135%0.34618%0.181SC..THydrogen-bonded Turntrans-89.73.1177.4-63.4-58.5-60.600114L355 V359L355-Q357 PolarHBondContact O-N 3.11Å; L355-Q357 VanDerWaalsContact O-N 3.12Å; Q357-V359 PolarHBondContact O-N 2.9Å
358L97.1Very high95.7Very high0 Ų038.8 Ų38.80%021%0.206CC..  trans-65.9126.3-178.2-161.172.6000110.7L332 L335 I351 L355 I361 L380 C382 L383L332-L358 HydrophobicContact CG-CD1 4.38Å; L335-L358 HydrophobicContact CB-CD1 3.89Å; I351-L358 HydrophobicContact CG2-CD2 3.99Å; L355-L358 HydrophobicContact CB-CB 4.37Å; L355-L358 VanDerWaalsContact O-CB 3.24Å; L355-L358 WeakPolarHBondContact O-CB 3.38Å; L355-L358 PolarHBondContact O-N 3.02Å; L355-L358 VanDerWaalsContact O-N 3.09Å; L358-I361 HydrophobicContact CD2-CB 3.91Å; L358-I361 HydrophobicContact CD2-CD1 4.01Å; L358-I361 HydrophobicContact CD2-CG1 4.24Å; L358-L380 HydrophobicContact CB-CD1 4.3Å; L358-L380 HydrophobicContact CD2-CD1 4.11Å; L358-C382 CarbonylContact O-C 3.43Å; L358-C382 VanDerWaalsContact O-C 3.24Å; L358-L383 WeakPolarHBondContact O-CA 3.3Å; L358-L383 PolarHBondContact O-N 3.39Å
359V97.4Very high95.5Very high42 Ų4239.3 Ų39.326%0.25521%0.208SC..  trans-103.6-34.6-179-179.50000111.3R333 Q357 C382 K384 V385R333-V359 HydrophobicContact CB-CG2 4.3Å; R333-V359 WeakPolarHBondContact O-CA 3.26Å; R333-V359 PolarHBondContact O-N 3.24Å; Q357-V359 PolarHBondContact O-N 2.9Å; V359-C382 WeakPolarHBondContact CA-O 3.34Å; V359-C382 HydrophobicContact CG2-CB 4.49Å; V359-K384 HydrophobicContact CG1-CB 4.08Å; V359-K384 HydrophobicContact CG1-CD 4.04Å; V359-K384 HydrophobicContact CG1-CG 4.15Å; V359-K384 PolarHBondContact O-N 3.41Å; V359-V385 PolarHBondContact O-N 3.31Å
360G97.2Very high95.3Very high6 Ų638.4 Ų38.46%0.06221%0.207CC..EExtended strand (participates in β ladder)trans-135.6135.3-178.900000112.3R333 T334 L335 V385R333-G360 PolarHBondContact O-N 3.48Å; T334-G360 VanDerWaalsContact CA-O 3.31Å; T334-G360 WeakPolarHBondContact CA-O 3.46Å; L335-G360 PolarHBondContact N-O 2.75Å; G360-V385 CarbonylContact C-O 3.51Å; G360-V385 VanDerWaalsContact CA-O 3.27Å; G360-V385 WeakPolarHBondContact CA-O 3.43Å
361I97.3Very high95.1Very high2 Ų243 Ų431%0.0123%0.226CC..EExtended strand (participates in β ladder)trans-136.1134.6171-163.8175.2000111.4L335 I351 L358 L363 I377 L383 V385 L386 N387L335-I361 HydrophobicContact CB-CG1 4.46Å; L335-I361 VanDerWaalsContact O-CA 3.25Å; L335-I361 WeakPolarHBondContact O-CA 3.5Å; L335-I361 WeakPolarHBondContact O-CG1 3.38Å; I351-I361 HydrophobicContact CD1-CD1 4.42Å; I351-I361 HydrophobicContact CG2-CD1 4.3Å; L358-I361 HydrophobicContact CD2-CB 3.91Å; L358-I361 HydrophobicContact CD2-CD1 4.01Å; L358-I361 HydrophobicContact CD2-CG1 4.24Å; I361-L363 HydrophobicContact CD1-CD1 4.45Å; I361-L363 HydrophobicContact CD1-CD2 3.72Å; I361-L363 HydrophobicContact CD1-CG 4.2Å; I361-L363 HydrophobicContact CG1-CD2 3.89Å; I361-L363 HydrophobicContact CG1-CG 4.14Å; I361-L363 HydrophobicContact CG2-CG 4.48Å; I361-I377 HydrophobicContact CD1-CD1 4.27Å; I361-I377 HydrophobicContact CG2-CG2 3.9Å; I361-L383 HydrophobicContact CB-CD1 4.48Å; I361-L383 HydrophobicContact CG2-CD1 3.96Å; I361-V385 PolarHBondContact N-O 2.62Å; I361-L386 HydrophobicContact CG2-CD1 3.45Å; I361-L386 VanDerWaalsContact CG2-CD1 3.45Å; I361-L386 WeakPolarHBondContact O-CA 3.4Å; I361-N387 PolarHBondContact O-N 3.35Å
362D96.1Very high94.9Very high28 Ų2850 Ų5015%0.1525%0.252CS..EExtended strand (participates in β ladder)trans-108.2117.1172.2-168.4-13.5000110.5L335 N336 I337 G338 Y364 N387L335-D362 PolarHBondContact O-N 2.95Å; N336-D362 HydrophobicContact CB-CB 3.93Å; N336-D362 WeakPolarHBondContact OD1-CB 3.45Å; I337-D362 CarbonylContact C-O 3.51Å; I337-D362 WeakPolarHBondContact CG1-O 3.32Å; I337-D362 PolarHBondContact N-O 3.32Å; G338-D362 PolarHBondContact N-O 3.17Å; G338-D362 VanDerWaalsContact N-O 3.13Å; D362-Y364 WeakPolarHBondContact OD1-CB 3.43Å; D362-Y364 PolarHBondContact OD1-N 3.16Å; D362-N387 HydrophobicContact CB-CB 4.16Å; D362-N387 PolarHBondContact OD1-ND2 2.9Å; D362-N387 VanDerWaalsContact OD1-ND2 3.15Å; D362-N387 PolarHBondContact OD2-ND2 2.83Å
363L95.7Very high94.8Very high1 Ų149.3 Ų49.31%0.00525%0.247CC..  trans-118.312.9179.3-56.5179.2000112I337 L348 I361 G365 C366 I369 L374 L386 N387 L388I337-L363 HydrophobicContact CD1-CD2 3.59Å; I337-L363 HydrophobicContact CG1-CD2 3.68Å; L348-L363 HydrophobicContact CD1-CD1 3.98Å; L348-L363 HydrophobicContact CD2-CD1 4.01Å; L348-L363 HydrophobicContact CD2-CD2 3.83Å; I361-L363 HydrophobicContact CD1-CD1 4.45Å; I361-L363 HydrophobicContact CD1-CD2 3.72Å; I361-L363 HydrophobicContact CD1-CG 4.2Å; I361-L363 HydrophobicContact CG1-CD2 3.89Å; I361-L363 HydrophobicContact CG1-CG 4.14Å; I361-L363 HydrophobicContact CG2-CG 4.48Å; L363-G365 PolarHBondContact O-N 2.98Å; L363-C366 WeakPolarHBondContact O-CB 3.47Å; L363-C366 PolarHBondContact O-N 3.18Å; L363-C366 VanDerWaalsContact O-N 3.13Å; L363-I369 HydrophobicContact CB-CD1 4.44Å; L363-I369 HydrophobicContact CD1-CD1 4.34Å; L363-I369 HydrophobicContact CD2-CD1 4.07Å; L363-L374 HydrophobicContact CD1-CD2 3.66Å; L363-L386 HydrophobicContact CD1-CD1 3.99Å; L363-L386 HydrophobicContact CG-CD1 4.37Å; L363-N387 PolarHBondContact N-O 3.16Å; L363-L388 HydrophobicContact CB-CD2 4.07Å; L363-L388 HydrophobicContact CD1-CD2 4.35Å
364Y92.7Very high94.8Very high76 Ų7645.9 Ų45.930%0.29823%0.228SC..THydrogen-bonded Turntrans-46.1125.9177.8166.8-98.9000111.2G338 Q339 D362 C366 N387 G389 L390G338-Y364 CarbonylContact C-O 3.57Å; G338-Y364 WeakPolarHBondContact CA-O 3.09Å; Q339-Y364 HydrophobicContact CG-CD1 3.77Å; Q339-Y364 HydrophobicContact CG-CE1 3.75Å; Q339-Y364 PolarHBondContact N-O 3.39Å; D362-Y364 WeakPolarHBondContact OD1-CB 3.43Å; D362-Y364 PolarHBondContact OD1-N 3.16Å; Y364-C366 VanDerWaalsContact C-N 3.26Å; Y364-C366 PolarHBondContact O-N 2.99Å; Y364-N387 PolarHBondContact N-O 3.34Å; Y364-G389 WeakPolarHBondContact CD2-O 3.35Å; Y364-G389 WeakPolarHBondContact CE2-O 3.26Å; Y364-L390 HydrophobicContact CE2-CB 4.07Å; Y364-L390 HydrophobicContact CE2-CD1 3.96Å; Y364-L390 HydrophobicContact CE2-CG 4.03Å; Y364-L390 WeakPolarHBondContact OH-CD1 3.15Å
365G91.2Very high94.7Very high20 Ų2046.7 Ų46.721%0.20623%0.232CC..THydrogen-bonded Turntrans68.413.1175.300000116.4L363 T367L363-G365 PolarHBondContact O-N 2.98Å; G365-T367 PolarHBondContact O-N 3.32Å; G365-T367 VanDerWaalsContact O-N 3.13Å
366C93.5Very high94.6Very high1 Ų151 Ų511%0.00725%0.249CC..  trans-78.987.2169.4-68.80000110.6I337 L363 Y364 K368 I369I337-C366 PolarHBondContact O-SG 3.09Å; L363-C366 WeakPolarHBondContact O-CB 3.47Å; L363-C366 PolarHBondContact O-N 3.18Å; L363-C366 VanDerWaalsContact O-N 3.13Å; Y364-C366 VanDerWaalsContact C-N 3.26Å; Y364-C366 PolarHBondContact O-N 2.99Å; C366-K368 VanDerWaalsContact C-N 3.28Å; C366-K368 PolarHBondContact O-N 3.13Å; C366-I369 HydrophobicContact CB-CD1 3.39Å; C366-I369 HydrophobicContact CB-CG1 3.97Å; C366-I369 PolarHBondContact O-N 3.34Å
367T92.3Very high94.7Very high112 Ų11247.8 Ų47.869%0.68723%0.229SC*.THydrogen-bonded Turntrans-71.2-11.2-167.454.10000116.1G365G365-T367 PolarHBondContact O-N 3.32Å; G365-T367 VanDerWaalsContact O-N 3.13Å
368K94.3Very high94.6Very high120 Ų12048.2 Ų48.252%0.52224%0.237SC..THydrogen-bonded Turntrans-101.23.4178.9-64.8-172.2-176.8-179.30114.1V341 I343 T344 C366V341-K368 VanDerWaalsContact O-CD 3.25Å; V341-K368 WeakPolarHBondContact O-CD 3.48Å; V341-K368 WeakPolarHBondContact O-CE 3.4Å; V341-K368 WeakPolarHBondContact O-CG 3.5Å; I343-K368 WeakPolarHBondContact O-CB 3.45Å; T344-K368 HydrophobicContact CG2-CB 4.07Å; T344-K368 HydrophobicContact CG2-CD 4.2Å; C366-K368 VanDerWaalsContact C-N 3.28Å; C366-K368 PolarHBondContact O-N 3.13Å
369I94.5Very high94.4Very high10 Ų1054.4 Ų54.45%0.05127%0.265CS..  trans-87.6129.5174.9-65.7176.1000108.3I343 L348 L363 C366 L374 W391I343-I369 HydrophobicContact CG2-CD1 4.3Å; L348-I369 HydrophobicContact CD1-CB 4.43Å; L348-I369 HydrophobicContact CD1-CD1 3.91Å; L348-I369 HydrophobicContact CD1-CG1 4.21Å; L348-I369 HydrophobicContact CD1-CG2 3.41Å; L348-I369 VanDerWaalsContact CD1-CG2 3.41Å; L348-I369 HydrophobicContact CD2-CD1 4.02Å; L348-I369 HydrophobicContact CG-CD1 3.98Å; L348-I369 HydrophobicContact CG-CG1 4.34Å; L348-I369 HydrophobicContact CG-CG2 4.39Å; L363-I369 HydrophobicContact CB-CD1 4.44Å; L363-I369 HydrophobicContact CD1-CD1 4.34Å; L363-I369 HydrophobicContact CD2-CD1 4.07Å; C366-I369 HydrophobicContact CB-CD1 3.39Å; C366-I369 HydrophobicContact CB-CG1 3.97Å; C366-I369 PolarHBondContact O-N 3.34Å; I369-L374 HydrophobicContact CG2-CD2 3.84Å; I369-L374 HydrophobicContact CG2-CG 4.12Å; I369-W391 HydrophobicContact CG2-CZ2 4.32Å
370T94.1Very high94.3Very high45 Ų4553 Ų5328%0.27626%0.256SS..  trans-105.5179.3177.979.50000110.9D345 R372 G373 L374D345-T370 VanDerWaalsContact CG-OG1 3.3Å; D345-T370 PolarHBondContact OD1-N 3.26Å; D345-T370 PolarHBondContact OD1-OG1 3.05Å; D345-T370 PolarHBondContact OD2-OG1 2.92Å; T370-R372 PolarHBondContact O-N 3.02Å; T370-R372 PolarHBondContact OG1-N 2.89Å; T370-G373 PolarHBondContact O-N 2.56Å; T370-L374 PolarHBondContact O-N 3.47Å
371K92.1Very high94.2Very high124 Ų12457.6 Ų57.654%0.53929%0.285SS..Hα-helixtrans-56-35.7174.5-169-173.2-179.9-151.70112.4G373 L374 E375K371-G373 PolarHBondContact O-N 2.8Å; K371-L374 PolarHBondContact O-N 3.04Å; K371-E375 WeakPolarHBondContact CE-OE1 3.42Å; K371-E375 HydrophobicContact CG-CG 4.33Å; K371-E375 IonicContact NZ-OE1 3.24Å; K371-E375 PolarHBondContact NZ-OE1 3.18Å; K371-E375 WeakPolarHBondContact O-CG 3.28Å; K371-E375 PolarHBondContact O-N 3.32Å
372R93.9Very high94.2Very high147 Ų14759.5 Ų59.556%0.55530%0.298SS*.Hα-helixtrans-60.2-47.3-180179.6-176.859.9161.41111.7D345 T370 E375 R376D345-R372 IonicContact OD2-CZ 2.8Å; D345-R372 IonicContact OD2-NE 4Å; D345-R372 PolarHBondContact OD2-NE 2.96Å; D345-R372 IonicContact OD2-NH2 2.81Å; D345-R372 PolarHBondContact OD2-NH2 3.28Å; T370-R372 PolarHBondContact O-N 3.02Å; T370-R372 PolarHBondContact OG1-N 2.89Å; R372-E375 PolarHBondContact O-N 2.94Å; R372-R376 PolarHBondContact O-N 3.46Å
373G94.2Very high94.2Very high0 Ų059.9 Ų59.90%030%0.3CS..Hα-helixtrans-64.7-39.9177.100000112.2D345 L348 T370 K371 R376 I377D345-G373 WeakPolarHBondContact OD1-CA 3Å; D345-G373 PolarHBondContact OD1-N 3.39Å; L348-G373 VanDerWaalsContact CD1-C 3.42Å; L348-G373 WeakPolarHBondContact CD1-O 3.38Å; T370-G373 PolarHBondContact O-N 2.56Å; K371-G373 PolarHBondContact O-N 2.8Å; G373-R376 WeakPolarHBondContact O-CB 3.48Å; G373-R376 PolarHBondContact O-N 3.49Å; G373-I377 PolarHBondContact O-N 3.37Å
374L95.1Very high94.1Very high16 Ų1668.2 Ų68.28%0.08434%0.336CS..Hα-helixtrans-64.7-42.4177.2-69.4-163.8000113L348 L363 I369 T370 K371 R376 I377 T378 L388 W391L348-L374 HydrophobicContact CD1-CD2 4.14Å; L363-L374 HydrophobicContact CD1-CD2 3.66Å; I369-L374 HydrophobicContact CG2-CD2 3.84Å; I369-L374 HydrophobicContact CG2-CG 4.12Å; T370-L374 PolarHBondContact O-N 3.47Å; K371-L374 PolarHBondContact O-N 3.04Å; L374-R376 PolarHBondContact O-N 3.09Å; L374-I377 PolarHBondContact O-N 3.18Å; L374-I377 VanDerWaalsContact O-N 3.08Å; L374-T378 WeakPolarHBondContact O-CG2 3.38Å; L374-T378 PolarHBondContact O-N 3.42Å; L374-T378 PolarHBondContact O-OG1 2.82Å; L374-L388 HydrophobicContact CD1-CD1 3.84Å; L374-L388 HydrophobicContact CD1-CD2 3.98Å; L374-L388 HydrophobicContact CD2-CD2 3.75Å; L374-W391 HydrophobicContact CD1-CD2 4.02Å; L374-W391 HydrophobicContact CD1-CE3 3.95Å; L374-W391 HydrophobicContact CD1-CH2 3.19Å; L374-W391 HydrophobicContact CD1-CZ2 3.22Å; L374-W391 HydrophobicContact CD1-CZ3 3.55Å; L374-W391 HydrophobicContact CD2-CZ2 4.35Å; L374-W391 HydrophobicContact CG-CH2 3.76Å; L374-W391 HydrophobicContact CG-CZ2 3.57Å
375E94.1Very high94.2Very high87 Ų8768.9 Ų68.941%0.40735%0.348SS..Hα-helixtrans-55-41.6177.4-77.8173.8-178.600110.7K371 R372 T378 Q379K371-E375 WeakPolarHBondContact CE-OE1 3.42Å; K371-E375 HydrophobicContact CG-CG 4.33Å; K371-E375 IonicContact NZ-OE1 3.24Å; K371-E375 PolarHBondContact NZ-OE1 3.18Å; K371-E375 WeakPolarHBondContact O-CG 3.28Å; K371-E375 PolarHBondContact O-N 3.32Å; R372-E375 PolarHBondContact O-N 2.94Å; E375-T378 PolarHBondContact O-OG1 3.43Å; E375-Q379 WeakPolarHBondContact O-CG 3.36Å; E375-Q379 PolarHBondContact O-N 3.44Å
376R94.8Very high94.4Very high93 Ų9370.7 Ų70.735%0.35135%0.353SS..Hα-helixtrans-62.5-46.1174.6-63.4-65.2-63.3168-3.7112.8E349 A352 D353 R372 G373 L374 Q379E349-R376 HydrophobicContact CG-CG 4.04Å; A352-R376 HydrophobicContact CB-CB 4.17Å; D353-R376 IonicContact OD1-NH2 3.76Å; D353-R376 PolarHBondContact OD1-NH2 3.35Å; R372-R376 PolarHBondContact O-N 3.46Å; G373-R376 WeakPolarHBondContact O-CB 3.48Å; G373-R376 PolarHBondContact O-N 3.49Å; L374-R376 PolarHBondContact O-N 3.09Å; R376-Q379 PolarHBondContact O-N 3.11Å
377I94.8Very high94.3Very high0 Ų073.8 Ų73.80%037%0.369CS..Hα-helixtrans-66.5-39.9-180-70.3-66000112.1L348 I351 A352 I361 G373 L374 Q379 L380 L383 L386L348-I377 HydrophobicContact CB-CD1 4.15Å; L348-I377 HydrophobicContact CB-CG1 3.79Å; L348-I377 HydrophobicContact CD1-CG1 3.77Å; L348-I377 HydrophobicContact CD2-CD1 4.07Å; L348-I377 HydrophobicContact CD2-CG1 3.88Å; L348-I377 HydrophobicContact CG-CG1 4.01Å; L348-I377 WeakPolarHBondContact O-CD1 3.45Å; I351-I377 HydrophobicContact CB-CD1 4.06Å; I351-I377 HydrophobicContact CG2-CD1 3.75Å; A352-I377 HydrophobicContact CB-CD1 4.31Å; I361-I377 HydrophobicContact CD1-CD1 4.27Å; I361-I377 HydrophobicContact CG2-CG2 3.9Å; G373-I377 PolarHBondContact O-N 3.37Å; L374-I377 PolarHBondContact O-N 3.18Å; L374-I377 VanDerWaalsContact O-N 3.08Å; I377-Q379 PolarHBondContact O-N 3.15Å; I377-Q379 VanDerWaalsContact O-N 3.15Å; I377-L380 HydrophobicContact CD1-CD1 4.1Å; I377-L380 HydrophobicContact CG2-CD1 4.37Å; I377-L380 VanDerWaalsContact O-CB 3.28Å; I377-L380 WeakPolarHBondContact O-CB 3.33Å; I377-L380 WeakPolarHBondContact O-CG 3.09Å; I377-L380 PolarHBondContact O-N 3.48Å; I377-L383 HydrophobicContact CG2-CD2 3.85Å; I377-L383 WeakPolarHBondContact O-CD2 3.35Å; I377-L386 HydrophobicContact CG2-CD1 4.38Å
378T93.8Very high94Very high82 Ų8270.7 Ų70.750%0.50335%0.348SS..Hα-helixtrans-65.4-16.4179.757.60000113.6L374 E375 L380 L386L374-T378 WeakPolarHBondContact O-CG2 3.38Å; L374-T378 PolarHBondContact O-N 3.42Å; L374-T378 PolarHBondContact O-OG1 2.82Å; E375-T378 PolarHBondContact O-OG1 3.43Å; T378-L380 VanDerWaalsContact C-N 3.31Å; T378-L386 HydrophobicContact CG2-CD2 3.88Å
379Q94.1Very high92.6Very high130 Ų13066.2 Ų66.261%0.60734%0.337SS*.THydrogen-bonded Turntrans-83.4-3.8175.2-68.5170.46.300113.3E375 R376 I377E375-Q379 WeakPolarHBondContact O-CG 3.36Å; E375-Q379 PolarHBondContact O-N 3.44Å; R376-Q379 PolarHBondContact O-N 3.11Å; I377-Q379 PolarHBondContact O-N 3.15Å; I377-Q379 VanDerWaalsContact O-N 3.15Å
380L95.3Very high90.5Very high12 Ų1272.4 Ų72.46%0.06337%0.369CS..  trans-61.5129.7176.8-81.1169.6000111.1L358 I377 T378 C382 L383L358-L380 HydrophobicContact CB-CD1 4.3Å; L358-L380 HydrophobicContact CD2-CD1 4.11Å; I377-L380 HydrophobicContact CD1-CD1 4.1Å; I377-L380 HydrophobicContact CG2-CD1 4.37Å; I377-L380 VanDerWaalsContact O-CB 3.28Å; I377-L380 WeakPolarHBondContact O-CB 3.33Å; I377-L380 WeakPolarHBondContact O-CG 3.09Å; I377-L380 PolarHBondContact O-N 3.48Å; T378-L380 VanDerWaalsContact C-N 3.31Å; L380-C382 VanDerWaalsContact C-N 3.29Å; L380-C382 PolarHBondContact O-N 3.25Å; L380-L383 HydrophobicContact CB-CB 3.91Å; L380-L383 PolarHBondContact O-N 3.01Å
381P94.8Very high88.3Confident103 Ų10374 Ų7467%0.66937%0.37SS*.THydrogen-bonded Turntrans-70.2-24.5-166.927.7-35.8000113.7T356T356-P381 WeakPolarHBondContact O-CG 3.49Å
382C96.3Very high85.9Confident42 Ų4276.5 Ų76.528%0.28438%0.384SS..THydrogen-bonded Turntrans-105.5-0.5-177-66.80000114L358 V359 L380 K384L358-C382 CarbonylContact O-C 3.43Å; L358-C382 VanDerWaalsContact O-C 3.24Å; V359-C382 WeakPolarHBondContact CA-O 3.34Å; V359-C382 HydrophobicContact CG2-CB 4.49Å; L380-C382 VanDerWaalsContact C-N 3.29Å; L380-C382 PolarHBondContact O-N 3.25Å; C382-K384 PolarHBondContact O-N 2.61Å
383L96.3Very high83.3Confident36 Ų3675 Ų7519%0.18838%0.384CS..  trans-70126.5-172.2-168.571.8000111.1L358 I361 I377 L380 L386L358-L383 WeakPolarHBondContact O-CA 3.3Å; L358-L383 PolarHBondContact O-N 3.39Å; I361-L383 HydrophobicContact CB-CD1 4.48Å; I361-L383 HydrophobicContact CG2-CD1 3.96Å; I377-L383 HydrophobicContact CG2-CD2 3.85Å; I377-L383 WeakPolarHBondContact O-CD2 3.35Å; L380-L383 HydrophobicContact CB-CB 3.91Å; L380-L383 PolarHBondContact O-N 3.01Å; L383-L386 HydrophobicContact CD2-CB 4.41Å
384K95Very high80.8Confident177 Ų17779 Ų7977%0.7741%0.408SS*.  trans-122.4-27.1178.9-63.8-178.1-175.8-179.70112.8V359 C382V359-K384 HydrophobicContact CG1-CB 4.08Å; V359-K384 HydrophobicContact CG1-CD 4.04Å; V359-K384 HydrophobicContact CG1-CG 4.15Å; V359-K384 PolarHBondContact O-N 3.41Å; C382-K384 PolarHBondContact O-N 2.61Å
385V94.1Very high78.1Confident90 Ų9086.2 Ų86.255%0.54544%0.442SS..EExtended strand (participates in β ladder)trans-127.6119.8-176.2-176.70000109.1V359 G360 I361V359-V385 PolarHBondContact O-N 3.31Å; G360-V385 CarbonylContact C-O 3.51Å; G360-V385 VanDerWaalsContact CA-O 3.27Å; G360-V385 WeakPolarHBondContact CA-O 3.43Å; I361-V385 PolarHBondContact N-O 2.62Å
386L94.6Very high75.6Confident57 Ų5786.8 Ų86.830%0.29846%0.455SS..EExtended strand (participates in β ladder)trans-128.1111.5173.9173.459.4000108I361 L363 I377 T378 L383 L388I361-L386 HydrophobicContact CG2-CD1 3.45Å; I361-L386 VanDerWaalsContact CG2-CD1 3.45Å; I361-L386 WeakPolarHBondContact O-CA 3.4Å; L363-L386 HydrophobicContact CD1-CD1 3.99Å; L363-L386 HydrophobicContact CG-CD1 4.37Å; I377-L386 HydrophobicContact CG2-CD1 4.38Å; T378-L386 HydrophobicContact CG2-CD2 3.88Å; L383-L386 HydrophobicContact CD2-CB 4.41Å; L386-L388 HydrophobicContact CD1-CD2 4.04Å; L386-L388 HydrophobicContact CD1-CG 4.28Å; L386-L388 HydrophobicContact CD2-CD1 4.15Å; L386-L388 HydrophobicContact CD2-CG 4.38Å; L386-L388 HydrophobicContact CG-CD1 4.27Å; L386-L388 HydrophobicContact CG-CD2 4.26Å; L386-L388 HydrophobicContact CG-CG 3.99Å
387N91.4Very high73.1Confident66 Ų6686.6 Ų86.635%0.35346%0.458SS..EExtended strand (participates in β ladder)trans-96.7123.7175.7-177.216.1000110.5I361 D362 L363 Y364 G389I361-N387 PolarHBondContact O-N 3.35Å; D362-N387 HydrophobicContact CB-CB 4.16Å; D362-N387 PolarHBondContact OD1-ND2 2.9Å; D362-N387 VanDerWaalsContact OD1-ND2 3.15Å; D362-N387 PolarHBondContact OD2-ND2 2.83Å; L363-N387 PolarHBondContact N-O 3.16Å; Y364-N387 PolarHBondContact N-O 3.34Å; N387-G389 PolarHBondContact OD1-N 3.42Å; N387-G389 VanDerWaalsContact OD1-N 3.14Å
388L85.9Confident70.2Confident47 Ų4793.9 Ų93.925%0.24649%0.49CS..  trans-126.116.6-178.6-63.2174.5000112.9L363 L374 L386 L390 W391L363-L388 HydrophobicContact CB-CD2 4.07Å; L363-L388 HydrophobicContact CD1-CD2 4.35Å; L374-L388 HydrophobicContact CD1-CD1 3.84Å; L374-L388 HydrophobicContact CD1-CD2 3.98Å; L374-L388 HydrophobicContact CD2-CD2 3.75Å; L386-L388 HydrophobicContact CD1-CD2 4.04Å; L386-L388 HydrophobicContact CD1-CG 4.28Å; L386-L388 HydrophobicContact CD2-CD1 4.15Å; L386-L388 HydrophobicContact CD2-CG 4.38Å; L386-L388 HydrophobicContact CG-CD1 4.27Å; L386-L388 HydrophobicContact CG-CD2 4.26Å; L386-L388 HydrophobicContact CG-CG 3.99Å; L388-L390 PolarHBondContact O-N 3.07Å; L388-W391 HydrophobicContact CB-CB 4.37Å; L388-W391 HydrophobicContact CB-CG 4.38Å; L388-W391 WeakPolarHBondContact O-CB 3.48Å; L388-W391 PolarHBondContact O-N 3.26Å
389G64.7Low67.3Low27 Ų2795.7 Ų95.728%0.27850%0.501SS..THydrogen-bonded Turntrans-45.7138.3-168.800000113.6Y364 N387 W391Y364-G389 WeakPolarHBondContact CD2-O 3.35Å; Y364-G389 WeakPolarHBondContact CE2-O 3.26Å; N387-G389 PolarHBondContact OD1-N 3.42Å; N387-G389 VanDerWaalsContact OD1-N 3.14Å; G389-W391 PolarHBondContact O-N 2.88Å
390L52.2Low64.2Low139 Ų139104.6 Ų104.673%0.72853%0.529SS*.THydrogen-bonded Turntrans56.836.7-171.9-58.7174.8000115.5Y364 L388 Q392Y364-L390 HydrophobicContact CE2-CB 4.07Å; Y364-L390 HydrophobicContact CE2-CD1 3.96Å; Y364-L390 HydrophobicContact CE2-CG 4.03Å; Y364-L390 WeakPolarHBondContact OH-CD1 3.15Å; L388-L390 PolarHBondContact O-N 3.07Å; L390-Q392 PolarHBondContact O-N 3.46Å
391W46.2Very low62.6Low79 Ų79109.2 Ų109.230%0.29955%0.552SS.*  trans-66.295.2163.5-127.152.1000109.8I369 L374 L388 G389I369-W391 HydrophobicContact CG2-CZ2 4.32Å; L374-W391 HydrophobicContact CD1-CD2 4.02Å; L374-W391 HydrophobicContact CD1-CE3 3.95Å; L374-W391 HydrophobicContact CD1-CH2 3.19Å; L374-W391 HydrophobicContact CD1-CZ2 3.22Å; L374-W391 HydrophobicContact CD1-CZ3 3.55Å; L374-W391 HydrophobicContact CD2-CZ2 4.35Å; L374-W391 HydrophobicContact CG-CH2 3.76Å; L374-W391 HydrophobicContact CG-CZ2 3.57Å; L388-W391 HydrophobicContact CB-CB 4.37Å; L388-W391 HydrophobicContact CB-CG 4.38Å; L388-W391 WeakPolarHBondContact O-CB 3.48Å; L388-W391 PolarHBondContact O-N 3.26Å; G389-W391 PolarHBondContact O-N 2.88Å
392Q43Very low61Low177 Ų177109.5 Ų109.583%0.82755%0.546SS*.  trans-83.6111.9167.5-76.8-175-2100108.2L390 T394L390-Q392 PolarHBondContact O-N 3.46Å; Q392-T394 PolarHBondContact O-N 3.22Å
393M39.6Very low59Low116 Ų116113.3 Ų113.357%0.57156%0.56SS**  trans-58.4124.2164.1-72.6-174171.300108.3
394T40.4Very low56.8Low82 Ų82117.8 Ų117.850%0.50358%0.582SS.*  trans-64.7138.116944.60000108.6Q392 S396 E397Q392-T394 PolarHBondContact O-N 3.22Å; T394-S396 PolarHBondContact O-N 3.07Å; T394-S396 PolarHBondContact OG1-OG 3.07Å; T394-E397 PolarHBondContact O-N 3.25Å
395E39.2Very low54.4Low169 Ų169114.1 Ų114.179%0.7957%0.571SS**G310 helixtrans-58.8-14.9-176.5-72.5-175.1149.300113.9E397E395-E397 PolarHBondContact O-N 3.28Å
396S41.1Very low51.8Low98 Ų98115.7 Ų115.769%0.68557%0.572SS**G310 helixtrans-67-13.2172.4500000114.8T394T394-S396 PolarHBondContact O-N 3.07Å; T394-S396 PolarHBondContact OG1-OG 3.07Å
397E42.2Very low48.7Very low89 Ų89119.9 Ų119.942%0.41659%0.592SS.*G310 helixtrans-108.25-176.4-62.8-177.5158.100113.5T394 E395T394-E397 PolarHBondContact O-N 3.25Å; E395-E397 PolarHBondContact O-N 3.28Å
398K33.6Very low45.4Very low153 Ų153124.1 Ų124.167%0.66561%0.61SS**SBendtrans-86.3-2.6174-78.9-175.7179173.40114.4
399V33.3Very low42Very low120 Ų120130.5 Ų130.573%0.72764%0.641SS**  trans-135.684.7179.6-172.40000110.1
400R29.1Very low40Very low317 Ų317139.9 Ų139.9100%1.19667%0.673SS**  trans177.40133-98170.6-175-164.11.5111.8

Retrieved 400 of 400 residues in 568.4 ms (Link to these results)

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