A0A077ZGI5_TRITR Loading...

Carbamate kinase

AlphaFold DB , UniProt , Accession A0A077ZGI5, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 316 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
1M67.9Low88.6Confident240 Ų24041.1 Ų41.1100%1.18221%0.209SC*.  0142.90-84.9179.3-83.300106.6
2K88.2Confident87.4Confident90 Ų9043.1 Ų43.139%0.39122%0.221SC..PPolyproline II helixtrans-62.5147.3173-62.4-174.8-173.1-156.30108.9D44K2-D44 VanDerWaalsContact CB-O 3.29Å; K2-D44 WeakPolarHBondContact CB-O 3.33Å; K2-D44 WeakPolarHBondContact CD-O 3.49Å; K2-D44 WeakPolarHBondContact CD-OD1 3.34Å; K2-D44 WeakPolarHBondContact CE-OD1 3.45Å; K2-D44 VanDerWaalsContact CG-O 3.3Å; K2-D44 WeakPolarHBondContact CG-O 3.01Å; K2-D44 IonicContact NZ-OD1 2.78Å; K2-D44 PolarHBondContact NZ-OD1 3.45Å
3E94.4Very high86.6Confident70 Ų7041.9 Ų41.933%0.32722%0.219SC..PPolyproline II helixtrans-73.2138.6172.4-67.6-168.2115.500109.6Y45 D46 D230 K291E3-Y45 HydrophobicContact CB-CD1 3.99Å; E3-Y45 HydrophobicContact CB-CE1 4.11Å; E3-D46 PolarHBondContact O-N 2.65Å; E3-D230 VanDerWaalsContact CA-OD2 3.31Å; E3-D230 WeakPolarHBondContact CA-OD2 3.42Å; E3-D230 HydrophobicContact CB-CB 4.15Å; E3-D230 HydrophobicContact CG-CB 4.42Å; E3-K291 IonicContact OE1-NZ 2.9Å; E3-K291 PolarHBondContact OE1-NZ 3.12Å
4L97.2Very high86.5Confident18 Ų1839.1 Ų39.19%0.09420%0.204CC..EExtended strand (participates in β ladder)trans-93.2120178.2175.556.3000109.8D46 V48 I183 I227 A229 D230 I231L4-D46 HydrophobicContact CD1-CB 4Å; L4-V48 HydrophobicContact CD1-CG2 4.13Å; L4-I183 HydrophobicContact CD1-CD1 4.27Å; L4-I183 HydrophobicContact CD1-CG2 3.93Å; L4-I183 HydrophobicContact CD2-CD1 4.42Å; L4-I227 HydrophobicContact CD2-CB 4.48Å; L4-I227 HydrophobicContact CD2-CD1 3.96Å; L4-I227 HydrophobicContact CD2-CG1 3.85Å; L4-A229 HydrophobicContact CD2-CB 4.22Å; L4-A229 HydrophobicContact CG-CB 3.95Å; L4-D230 PolarHBondContact N-OD2 2.85Å; L4-D230 PolarHBondContact O-N 3.48Å; L4-I231 PolarHBondContact O-N 2.98Å
5V97.2Very high86.4Confident0 Ų036.7 Ų36.70%019%0.192CC..EExtended strand (participates in β ladder)trans-111127.2179.6-172.30000109.9V7 M40 Y45 D46 I47 V48 I231 V233 L305V5-V7 HydrophobicContact CG1-CG2 3.97Å; V5-M40 HydrophobicContact CB-CE 4.29Å; V5-M40 HydrophobicContact CG1-CE 3.88Å; V5-Y45 HydrophobicContact CG2-CD1 3.47Å; V5-Y45 VanDerWaalsContact CG2-CD1 3.47Å; V5-Y45 HydrophobicContact CG2-CE1 4.09Å; V5-Y45 HydrophobicContact CG2-CG 3.74Å; V5-D46 PolarHBondContact N-O 3.47Å; V5-I47 WeakPolarHBondContact O-CA 3.41Å; V5-V48 PolarHBondContact O-N 2.8Å; V5-I231 WeakPolarHBondContact CA-O 3.45Å; V5-I231 HydrophobicContact CG1-CB 4.33Å; V5-I231 HydrophobicContact CG1-CG2 4.33Å; V5-I231 HydrophobicContact CG2-CB 4.19Å; V5-I231 HydrophobicContact CG2-CD1 4.28Å; V5-V233 HydrophobicContact CG1-CG2 3.7Å; V5-L305 HydrophobicContact CG1-CD2 4.43Å
6V97.9Very high85.7Confident0 Ų043.2 Ų43.20%022%0.218CC..EExtended strand (participates in β ladder)trans-103.7124.9168.7-174.90000109.4V48 T50 T220 A224 I227 A229 I231 L232 V233V6-V48 CarbonylContact C-O 3.58Å; V6-V48 WeakPolarHBondContact CA-O 3.33Å; V6-V48 HydrophobicContact CG1-CB 4.37Å; V6-V48 HydrophobicContact CG1-CG1 4.4Å; V6-V48 HydrophobicContact CG2-CB 4.11Å; V6-T50 HydrophobicContact CG1-CG2 4.19Å; V6-T220 HydrophobicContact CG1-CG2 3.51Å; V6-A224 HydrophobicContact CB-CB 3.99Å; V6-A224 HydrophobicContact CG1-CB 4.43Å; V6-A224 HydrophobicContact CG2-CB 3.75Å; V6-I227 HydrophobicContact CG2-CD1 3.82Å; V6-A229 HydrophobicContact CG2-CB 3.56Å; V6-I231 PolarHBondContact N-O 3.27Å; V6-L232 HydrophobicContact CB-CD1 4.34Å; V6-L232 HydrophobicContact CG1-CD1 4.47Å; V6-V233 PolarHBondContact O-N 3.21Å
7V96.3Very high85.4Confident3 Ų344.9 Ų44.92%0.01823%0.228CC..EExtended strand (participates in β ladder)trans-112.9119.2-177.7-174.40000110.7V5 M40 I47 V48 L49 T50 V233 T235 L301V5-V7 HydrophobicContact CG1-CG2 3.97Å; V7-M40 HydrophobicContact CG2-CE 3.53Å; V7-M40 HydrophobicContact CG2-SD 4.1Å; V7-I47 HydrophobicContact CG2-CG2 4.46Å; V7-V48 PolarHBondContact N-O 3.26Å; V7-L49 HydrophobicContact CB-CD2 3.81Å; V7-L49 HydrophobicContact CG1-CD2 4.49Å; V7-L49 HydrophobicContact CG2-CD2 4.22Å; V7-T50 PolarHBondContact O-N 3.24Å; V7-V233 HydrophobicContact CB-CB 4.41Å; V7-V233 HydrophobicContact CG1-CB 4.29Å; V7-V233 HydrophobicContact CG1-CG1 4.11Å; V7-V233 HydrophobicContact CG2-CB 4.18Å; V7-V233 HydrophobicContact CG2-CG2 4.39Å; V7-T235 HydrophobicContact CG1-CG2 4.43Å; V7-L301 HydrophobicContact CG1-CD2 3.71Å; V7-L301 HydrophobicContact CG2-CD2 4.45Å
8A94.8Very high85.2Confident0 Ų046.6 Ų46.60%024%0.237CC..EExtended strand (participates in β ladder)trans-90.9104.7176.100000111.2T50 K216 T220 V233 T235A8-T50 WeakPolarHBondContact CA-OG1 3.45Å; A8-K216 HydrophobicContact CB-CD 4.2Å; A8-T220 HydrophobicContact CB-CG2 3.66Å; A8-V233 PolarHBondContact N-O 2.94Å; A8-T235 WeakPolarHBondContact O-CB 3.39Å; A8-T235 PolarHBondContact O-N 2.9Å; A8-T235 VanDerWaalsContact O-N 3.08Å; A8-T235 PolarHBondContact O-OG1 3.42Å
9I89.6Confident85.2Confident6 Ų648.4 Ų48.43%0.03126%0.26CS..EExtended strand (participates in β ladder)trans-83.2128.3176.6-57.1156.1000109.7S13 I14 V33 L49 T50 H51 G52 I93 K216 T235I9-S13 VanDerWaalsContact CG2-OG 3.29Å; I9-S13 WeakPolarHBondContact CG2-OG 3.42Å; I9-I14 HydrophobicContact CG2-CD1 4.48Å; I9-I14 HydrophobicContact CG2-CG1 4.42Å; I9-V33 HydrophobicContact CD1-CG1 3.41Å; I9-V33 VanDerWaalsContact CD1-CG1 3.41Å; I9-V33 HydrophobicContact CG1-CG1 4.12Å; I9-V33 HydrophobicContact CG2-CG2 4.13Å; I9-L49 HydrophobicContact CD1-CB 4.19Å; I9-L49 HydrophobicContact CD1-CD1 4.41Å; I9-L49 HydrophobicContact CD1-CD2 4.47Å; I9-T50 WeakPolarHBondContact CB-O 3.38Å; I9-T50 PolarHBondContact N-O 2.8Å; I9-H51 HydrophobicContact CB-CB 4.19Å; I9-H51 CarbonylContact O-C 3.56Å; I9-H51 VanDerWaalsContact O-CA 3.28Å; I9-H51 WeakPolarHBondContact O-CA 3.37Å; I9-G52 PolarHBondContact O-N 2.9Å; I9-I93 HydrophobicContact CD1-CD1 4.33Å; I9-K216 WeakPolarHBondContact O-CD 3.45Å; I9-T235 WeakPolarHBondContact CA-OG1 3.45Å
10G78.7Confident85.2Confident14 Ų1446.8 Ų46.814%0.14425%0.253CS..  trans-63.5142.9176.300000113N12 S13 T235G10-N12 PolarHBondContact O-N 2.98Å; G10-S13 PolarHBondContact N-OG 3.49Å; G10-S13 PolarHBondContact O-N 3.37Å; G10-S13 PolarHBondContact O-OG 3.31Å; G10-T235 PolarHBondContact N-OG1 2.79Å
11G72.6Confident85.4Confident11 Ų1146.7 Ų46.711%0.11325%0.251CS..G310 helixtrans-60-34.9168.500000111.5S13 I14 I15G11-S13 VanDerWaalsContact C-N 3.28Å; G11-S13 PolarHBondContact O-N 2.85Å; G11-I14 WeakPolarHBondContact O-CB 3.46Å; G11-I14 PolarHBondContact O-N 3.41Å; G11-I15 PolarHBondContact O-N 3.43Å
12N74.6Confident86.5Confident65 Ų6537.2 Ų37.235%0.34821%0.208SC..G310 helixtrans-74.2-13.2179-65.1-16.5000114.2G10 I14 I15G10-N12 PolarHBondContact O-N 2.98Å; N12-I14 VanDerWaalsContact C-N 3.26Å; N12-I15 CarbonylContact C-O 3.59Å; N12-I15 VanDerWaalsContact CA-O 3.26Å; N12-I15 WeakPolarHBondContact CA-O 3.31Å
13S77.2Confident86.8Confident28 Ų2837.2 Ų37.220%0.19621%0.212CC..G310 helixtrans-79.6-13.416850.20000112.2I9 G10 G11I9-S13 VanDerWaalsContact CG2-OG 3.29Å; I9-S13 WeakPolarHBondContact CG2-OG 3.42Å; G10-S13 PolarHBondContact N-OG 3.49Å; G10-S13 PolarHBondContact O-N 3.37Å; G10-S13 PolarHBondContact O-OG 3.31Å; G11-S13 VanDerWaalsContact C-N 3.28Å; G11-S13 PolarHBondContact O-N 2.85Å
14I84.8Confident86.8Confident3 Ų340.3 Ų40.32%0.01523%0.226CC..THydrogen-bonded Turntrans-98.6-46.2177.9-54.3177000110.9I9 G11 N12 Q26 V30 H51 I89I9-I14 HydrophobicContact CG2-CD1 4.48Å; I9-I14 HydrophobicContact CG2-CG1 4.42Å; G11-I14 WeakPolarHBondContact O-CB 3.46Å; G11-I14 PolarHBondContact O-N 3.41Å; N12-I14 VanDerWaalsContact C-N 3.26Å; I14-Q26 HydrophobicContact CG2-CB 3.82Å; I14-Q26 HydrophobicContact CG2-CG 3.86Å; I14-V30 HydrophobicContact CG1-CG1 4.5Å; I14-V30 HydrophobicContact CG2-CG1 4.43Å; I14-H51 HydrophobicContact CD1-CB 4.15Å; I14-I89 HydrophobicContact CD1-CG2 3.57Å
15I84.3Confident86.6Confident3 Ų344.1 Ų44.12%0.01524%0.243CC..  trans-119111.9169.2-66.8178.1000108.3G11 N12 D17 Q21 Q26 P55 Q56 L59G11-I15 PolarHBondContact O-N 3.43Å; N12-I15 CarbonylContact C-O 3.59Å; N12-I15 VanDerWaalsContact CA-O 3.26Å; N12-I15 WeakPolarHBondContact CA-O 3.31Å; I15-D17 WeakPolarHBondContact CG2-O 3.47Å; I15-Q21 HydrophobicContact CG2-CG 3.9Å; I15-Q26 HydrophobicContact CD1-CG 4.21Å; I15-Q26 HydrophobicContact CG1-CG 3.66Å; I15-P55 HydrophobicContact CB-CB 4Å; I15-P55 HydrophobicContact CB-CG 4.35Å; I15-P55 HydrophobicContact CD1-CB 4Å; I15-P55 HydrophobicContact CG2-CB 4.02Å; I15-Q56 HydrophobicContact CD1-CG 3.62Å; I15-Q56 HydrophobicContact CG1-CG 4.46Å; I15-L59 HydrophobicContact CD1-CD1 4.14Å
16K75.8Confident86.4Confident140 Ų14044.6 Ų44.661%0.60925%0.245SC*.  trans-83.5-36.2-175.5-65.1178.3-179.5179.70112.4S20K16-S20 PolarHBondContact N-OG 2.98Å; K16-S20 VanDerWaalsContact N-OG 3.11Å
17D81.1Confident86.3Confident72 Ų7245.9 Ų45.939%0.38526%0.256SS..SBendtrans-158.9179.6-17254.940.8000111.4I15 A19 S20I15-D17 WeakPolarHBondContact CG2-O 3.47Å; D17-A19 PolarHBondContact O-N 3Å; D17-A19 WeakPolarHBondContact OD1-CA 3.33Å; D17-A19 WeakPolarHBondContact OD1-CB 3.34Å; D17-A19 PolarHBondContact OD1-N 3Å; D17-S20 PolarHBondContact N-OG 3.35Å; D17-S20 PolarHBondContact O-N 2.69Å; D17-S20 PolarHBondContact O-OG 3.29Å; D17-S20 VanDerWaalsContact O-OG 3.12Å; D17-S20 WeakPolarHBondContact OD1-CB 3.3Å; D17-S20 PolarHBondContact OD1-N 3Å; D17-S20 PolarHBondContact OD1-OG 3.49Å
18N81.9Confident86.1Confident75 Ų7550.9 Ų50.940%0.40128%0.28SS..G310 helixtrans-63.6-24.4178.2-76.8-9.8000113.6Q21 F135N18-Q21 WeakPolarHBondContact O-CG 3.36Å; N18-Q21 PolarHBondContact OD1-NE2 2.9Å; N18-F135 PolarHBondContact ND2-O 2.76Å; N18-F135 WeakPolarHBondContact OD1-CD2 3.43Å; N18-F135 PolarHBondContact OD1-N 3.31Å
19A84.2Confident85.9Confident82 Ų8251.9 Ų51.968%0.67829%0.288SS*.G310 helixtrans-79.6-21179.800000112.6D17D17-A19 PolarHBondContact O-N 3Å; D17-A19 WeakPolarHBondContact OD1-CA 3.33Å; D17-A19 WeakPolarHBondContact OD1-CB 3.34Å; D17-A19 PolarHBondContact OD1-N 3Å
20S85.6Confident86.1Confident16 Ų1651.7 Ų51.711%0.11229%0.287CS..G310 helixtrans-103.621.6-176.550.80000114K16 D17 S22 H25K16-S20 PolarHBondContact N-OG 2.98Å; K16-S20 VanDerWaalsContact N-OG 3.11Å; D17-S20 PolarHBondContact N-OG 3.35Å; D17-S20 PolarHBondContact O-N 2.69Å; D17-S20 PolarHBondContact O-OG 3.29Å; D17-S20 VanDerWaalsContact O-OG 3.12Å; D17-S20 WeakPolarHBondContact OD1-CB 3.3Å; D17-S20 PolarHBondContact OD1-N 3Å; D17-S20 PolarHBondContact OD1-OG 3.49Å; S20-S22 PolarHBondContact O-N 3.32Å; S20-H25 WeakPolarHBondContact O-CB 3.34Å
21Q88.5Confident86.8Confident44 Ų4455 Ų5521%0.20630%0.297CS..  trans-76.9-17.4-177.2-67.6-177.6-4.800114.5I15 N18 Q26 L59I15-Q21 HydrophobicContact CG2-CG 3.9Å; N18-Q21 WeakPolarHBondContact O-CG 3.36Å; N18-Q21 PolarHBondContact OD1-NE2 2.9Å; Q21-Q26 PolarHBondContact O-NE2 3.5Å; Q21-L59 HydrophobicContact CB-CD1 4.02Å; Q21-L59 HydrophobicContact CG-CD1 3.98Å
22S92.4Very high87.6Confident42 Ų4257.2 Ų57.229%0.29432%0.315SS..SBendtrans-66.9154.4-174.790.20000112.2S20 E24 H25 Q26S20-S22 PolarHBondContact O-N 3.32Å; S22-E24 WeakPolarHBondContact CB-OE2 3.21Å; S22-E24 PolarHBondContact O-N 2.9Å; S22-E24 PolarHBondContact OG-OE2 3.1Å; S22-H25 PolarHBondContact O-N 2.78Å; S22-H25 PolarHBondContact OG-N 3.25Å; S22-H25 PolarHBondContact OG-ND1 2.64Å; S22-Q26 WeakPolarHBondContact O-CG 3.38Å; S22-Q26 PolarHBondContact O-N 2.85Å; S22-Q26 VanDerWaalsContact O-N 3.08Å
23I93.4Very high88.3Confident89 Ų8955 Ų5546%0.45630%0.303SS..Hα-helixtrans-62.1-33179.8-62.4-60.1000110.8Q26 A27 L92I23-Q26 PolarHBondContact O-N 2.79Å; I23-A27 VanDerWaalsContact O-CB 3.24Å; I23-A27 WeakPolarHBondContact O-CB 3.3Å; I23-A27 PolarHBondContact O-N 3.35Å; I23-L92 HydrophobicContact CG2-CD1 4.45Å; I23-L92 HydrophobicContact CG2-CD2 4.35Å
24E94.4Very high89Confident136 Ų13653.6 Ų53.664%0.63629%0.294SS*.Hα-helixtrans-63.4-44176.8-57.273.2-158.300111.4S22 A27 E28S22-E24 WeakPolarHBondContact CB-OE2 3.21Å; S22-E24 PolarHBondContact O-N 2.9Å; S22-E24 PolarHBondContact OG-OE2 3.1Å; E24-A27 PolarHBondContact O-N 3.4Å; E24-E28 PolarHBondContact O-N 3.07Å
25H93.3Very high89.3Confident98 Ų9856.8 Ų56.845%0.45431%0.311SS..Hα-helixtrans-65.1-41.1175.8-72.4107.5000111.8S20 S22 E28 A29S20-H25 WeakPolarHBondContact O-CB 3.34Å; S22-H25 PolarHBondContact O-N 2.78Å; S22-H25 PolarHBondContact OG-N 3.25Å; S22-H25 PolarHBondContact OG-ND1 2.64Å; H25-E28 PolarHBondContact O-N 2.95Å; H25-A29 WeakPolarHBondContact O-CB 3.31Å; H25-A29 PolarHBondContact O-N 3.18Å
26Q93.7Very high89.5Confident9 Ų957.6 Ų57.64%0.04232%0.316CS..Hα-helixtrans-64.9-42.6176-63.8-176.361.200111.5I14 I15 Q21 S22 I23 E28 A29 V30 Q56 L92I14-Q26 HydrophobicContact CG2-CB 3.82Å; I14-Q26 HydrophobicContact CG2-CG 3.86Å; I15-Q26 HydrophobicContact CD1-CG 4.21Å; I15-Q26 HydrophobicContact CG1-CG 3.66Å; Q21-Q26 PolarHBondContact O-NE2 3.5Å; S22-Q26 WeakPolarHBondContact O-CG 3.38Å; S22-Q26 PolarHBondContact O-N 2.85Å; S22-Q26 VanDerWaalsContact O-N 3.08Å; I23-Q26 PolarHBondContact O-N 2.79Å; Q26-E28 VanDerWaalsContact C-N 3.29Å; Q26-E28 PolarHBondContact O-N 2.69Å; Q26-A29 PolarHBondContact O-N 2.62Å; Q26-V30 WeakPolarHBondContact O-CG1 3.11Å; Q26-V30 PolarHBondContact O-N 3.44Å; Q26-Q56 VanDerWaalsContact OE1-NE2 3.13Å; Q26-L92 HydrophobicContact CB-CD1 3.93Å
27A94.4Very high90.2Very high28 Ų2851 Ų5123%0.23129%0.287CS..Hα-helixtrans-61.9-36.717600000111.8I23 E24 V30 K31 L92I23-A27 VanDerWaalsContact O-CB 3.24Å; I23-A27 WeakPolarHBondContact O-CB 3.3Å; I23-A27 PolarHBondContact O-N 3.35Å; E24-A27 PolarHBondContact O-N 3.4Å; A27-V30 VanDerWaalsContact O-CG2 3.27Å; A27-V30 WeakPolarHBondContact O-CG2 3.3Å; A27-K31 WeakPolarHBondContact O-CG 2.92Å; A27-L92 HydrophobicContact CB-CD2 4.05Å
28E93.7Very high90.6Very high108 Ų10849 Ų4951%0.50528%0.276SS..Hα-helixtrans-69-44.4172.6-169.757.5-143.800111.6E24 H25 Q26 V30 K31E24-E28 PolarHBondContact O-N 3.07Å; H25-E28 PolarHBondContact O-N 2.95Å; Q26-E28 VanDerWaalsContact C-N 3.29Å; Q26-E28 PolarHBondContact O-N 2.69Å; E28-V30 VanDerWaalsContact C-N 3.34Å; E28-V30 PolarHBondContact O-N 2.89Å; E28-K31 VanDerWaalsContact O-CB 3.28Å; E28-K31 WeakPolarHBondContact O-CB 3.29Å; E28-K31 PolarHBondContact O-N 3.19Å; E28-K31 VanDerWaalsContact O-N 3.11Å; E28-K31 WeakPolarHBondContact OE2-CD 3.47Å; E28-K31 WeakPolarHBondContact OE2-CE 3.32Å; E28-K31 IonicContact OE2-NZ 2.79Å; E28-K31 PolarHBondContact OE2-NZ 3.09Å
29A90.9Very high91Very high21 Ų2150.1 Ų50.117%0.17428%0.279CS..Hα-helixtrans-60.5-41.1-179.800000112.9H25 Q26 K31 A32H25-A29 WeakPolarHBondContact O-CB 3.31Å; H25-A29 PolarHBondContact O-N 3.18Å; Q26-A29 PolarHBondContact O-N 2.62Å; A29-K31 PolarHBondContact O-N 2.9Å; A29-A32 PolarHBondContact O-N 2.97Å
30V93.3Very high91.2Very high1 Ų146.3 Ų46.31%0.00625%0.248CC..Hα-helixtrans-71.5-14.5179.2-59.90000113.5I14 Q26 A27 E28 V33 A34 L92 I93 A96I14-V30 HydrophobicContact CG1-CG1 4.5Å; I14-V30 HydrophobicContact CG2-CG1 4.43Å; Q26-V30 WeakPolarHBondContact O-CG1 3.11Å; Q26-V30 PolarHBondContact O-N 3.44Å; A27-V30 VanDerWaalsContact O-CG2 3.27Å; A27-V30 WeakPolarHBondContact O-CG2 3.3Å; E28-V30 VanDerWaalsContact C-N 3.34Å; E28-V30 PolarHBondContact O-N 2.89Å; V30-V33 WeakPolarHBondContact O-CB 3.49Å; V30-V33 PolarHBondContact O-N 3.32Å; V30-A34 WeakPolarHBondContact O-CB 3.41Å; V30-A34 PolarHBondContact O-N 3.21Å; V30-L92 HydrophobicContact CG1-CB 4.48Å; V30-L92 HydrophobicContact CG2-CB 3.98Å; V30-I93 HydrophobicContact CB-CG1 4.03Å; V30-I93 HydrophobicContact CG1-CG1 3.65Å; V30-A96 HydrophobicContact CG2-CB 4.01Å
31K93.1Very high91.3Very high83 Ų8347 Ų4736%0.36125%0.249SC..Hα-helixtrans-64-44.2172.5-74.1174.3-167.6170.10111.1A27 E28 A29 V33 A34 D35 R100A27-K31 WeakPolarHBondContact O-CG 2.92Å; E28-K31 VanDerWaalsContact O-CB 3.28Å; E28-K31 WeakPolarHBondContact O-CB 3.29Å; E28-K31 PolarHBondContact O-N 3.19Å; E28-K31 VanDerWaalsContact O-N 3.11Å; E28-K31 WeakPolarHBondContact OE2-CD 3.47Å; E28-K31 WeakPolarHBondContact OE2-CE 3.32Å; E28-K31 IonicContact OE2-NZ 2.79Å; E28-K31 PolarHBondContact OE2-NZ 3.09Å; A29-K31 PolarHBondContact O-N 2.9Å; K31-V33 VanDerWaalsContact C-N 3.31Å; K31-V33 PolarHBondContact O-N 2.88Å; K31-A34 WeakPolarHBondContact O-CB 3.32Å; K31-A34 PolarHBondContact O-N 2.93Å; K31-A34 VanDerWaalsContact O-N 3.08Å; K31-D35 PolarHBondContact O-N 2.82Å; K31-D35 VanDerWaalsContact O-OD2 3.09Å; K31-R100 PolarHBondContact O-NH2 3.2Å
32A89.2Confident91.2Very high59 Ų5949 Ų4949%0.48827%0.274SS..Hα-helixtrans-63-39177.400000111.9A29 A34 D35 T36A29-A32 PolarHBondContact O-N 2.97Å; A32-A34 VanDerWaalsContact C-N 3.34Å; A32-D35 PolarHBondContact O-N 3.34Å; A32-T36 PolarHBondContact O-N 3.29Å; A32-T36 PolarHBondContact O-OG1 3.48Å
33V88.7Confident90.9Very high17 Ų1749.9 Ų49.910%0.10328%0.28CS..Hα-helixtrans-58.8-47.5170.71730000110.4I9 V30 K31 D35 T36 V37I9-V33 HydrophobicContact CD1-CG1 3.41Å; I9-V33 VanDerWaalsContact CD1-CG1 3.41Å; I9-V33 HydrophobicContact CG1-CG1 4.12Å; I9-V33 HydrophobicContact CG2-CG2 4.13Å; V30-V33 WeakPolarHBondContact O-CB 3.49Å; V30-V33 PolarHBondContact O-N 3.32Å; K31-V33 VanDerWaalsContact C-N 3.31Å; K31-V33 PolarHBondContact O-N 2.88Å; V33-D35 PolarHBondContact O-N 3.06Å; V33-T36 WeakPolarHBondContact O-CB 3.42Å; V33-T36 PolarHBondContact O-N 2.97Å; V33-V37 HydrophobicContact CG1-CG2 4.47Å; V33-V37 VanDerWaalsContact O-CG2 3.31Å; V33-V37 WeakPolarHBondContact O-CG2 3.34Å; V33-V37 PolarHBondContact O-N 3.16Å
34A91.8Very high90.7Very high0 Ų050 Ų500%028%0.282CS..Hα-helixtrans-66.3-35.4-178.600000113.2V30 K31 A32 V37 L38 A96 L97V30-A34 WeakPolarHBondContact O-CB 3.41Å; V30-A34 PolarHBondContact O-N 3.21Å; K31-A34 WeakPolarHBondContact O-CB 3.32Å; K31-A34 PolarHBondContact O-N 2.93Å; K31-A34 VanDerWaalsContact O-N 3.08Å; A32-A34 VanDerWaalsContact C-N 3.34Å; A34-V37 PolarHBondContact O-N 3.23Å; A34-L38 PolarHBondContact O-N 2.79Å; A34-L38 VanDerWaalsContact O-N 3.08Å; A34-A96 HydrophobicContact CB-CB 3.79Å; A34-L97 HydrophobicContact CB-CD2 3.77Å; A34-L97 HydrophobicContact CB-CG 4Å
35D91.2Very high90.6Very high70 Ų7045.4 Ų45.437%0.37426%0.259SS..Hα-helixtrans-61.9-47.2172-71.3-43.4000111K31 A32 V33 V37 L38 E39 R100K31-D35 PolarHBondContact O-N 2.82Å; K31-D35 VanDerWaalsContact O-OD2 3.09Å; A32-D35 PolarHBondContact O-N 3.34Å; V33-D35 PolarHBondContact O-N 3.06Å; D35-V37 VanDerWaalsContact C-N 3.31Å; D35-V37 PolarHBondContact O-N 3.39Å; D35-L38 WeakPolarHBondContact O-CB 3.44Å; D35-L38 PolarHBondContact O-N 3.31Å; D35-L38 VanDerWaalsContact O-N 3.14Å; D35-E39 PolarHBondContact O-N 3.13Å; D35-R100 VanDerWaalsContact CG-NE 3.28Å; D35-R100 VanDerWaalsContact CG-NH2 3.3Å; D35-R100 IonicContact OD1-CZ 3.82Å; D35-R100 IonicContact OD1-NE 3.81Å; D35-R100 PolarHBondContact OD1-NE 2.82Å; D35-R100 IonicContact OD1-NH2 3.32Å; D35-R100 PolarHBondContact OD1-NH2 3.03Å; D35-R100 IonicContact OD2-CZ 2.93Å; D35-R100 IonicContact OD2-NE 3.25Å; D35-R100 IonicContact OD2-NH2 3.89Å; D35-R100 PolarHBondContact OD2-NH2 2.89Å
36T89.1Confident90.7Very high19 Ų1942.4 Ų42.412%0.11725%0.246CC..Hα-helixtrans-57.3-44.7176.3-58.30000111.7A32 V33 L38 E39 M40 L301 P302A32-T36 PolarHBondContact O-N 3.29Å; A32-T36 PolarHBondContact O-OG1 3.48Å; V33-T36 WeakPolarHBondContact O-CB 3.42Å; V33-T36 PolarHBondContact O-N 2.97Å; T36-L38 VanDerWaalsContact C-N 3.33Å; T36-L38 PolarHBondContact O-N 2.99Å; T36-E39 WeakPolarHBondContact O-CB 3.4Å; T36-E39 PolarHBondContact O-N 3.12Å; T36-M40 WeakPolarHBondContact O-CG 3.36Å; T36-M40 PolarHBondContact O-N 3.48Å; T36-M40 VanDerWaalsContact O-N 3.14Å; T36-L301 HydrophobicContact CG2-CB 3.77Å; T36-L301 HydrophobicContact CG2-CD2 3.71Å; T36-L301 HydrophobicContact CG2-CG 3.92Å; T36-P302 HydrophobicContact CG2-CG 3.91Å
37V90.2Very high90.9Very high2 Ų242 Ų421%0.01224%0.244CC..Hα-helixtrans-66.3-34.2179.3171.70000111.9V33 A34 D35 E39 M40 L41 I47 L49 L97 V188V33-V37 HydrophobicContact CG1-CG2 4.47Å; V33-V37 VanDerWaalsContact O-CG2 3.31Å; V33-V37 WeakPolarHBondContact O-CG2 3.34Å; V33-V37 PolarHBondContact O-N 3.16Å; A34-V37 PolarHBondContact O-N 3.23Å; D35-V37 VanDerWaalsContact C-N 3.31Å; D35-V37 PolarHBondContact O-N 3.39Å; V37-E39 VanDerWaalsContact C-N 3.33Å; V37-E39 PolarHBondContact O-N 3.11Å; V37-M40 WeakPolarHBondContact O-CB 3.46Å; V37-M40 PolarHBondContact O-N 3.3Å; V37-L41 HydrophobicContact CG1-CD1 4.21Å; V37-L41 HydrophobicContact CG1-CG 4.39Å; V37-L41 VanDerWaalsContact O-CG 3.3Å; V37-L41 WeakPolarHBondContact O-CG 3.42Å; V37-L41 PolarHBondContact O-N 2.64Å; V37-I47 HydrophobicContact CG1-CD1 3.99Å; V37-I47 HydrophobicContact CG1-CG2 4.45Å; V37-L49 HydrophobicContact CG2-CD1 3.95Å; V37-L49 HydrophobicContact CG2-CD2 3.79Å; V37-L49 HydrophobicContact CG2-CG 4.49Å; V37-L97 HydrophobicContact CB-CD2 3.77Å; V37-L97 HydrophobicContact CG1-CD2 3.61Å; V37-L97 HydrophobicContact CG2-CD2 4.44Å; V37-V188 HydrophobicContact CG1-CG1 4.42Å
38L89.9Confident91Very high29 Ų2940.7 Ų40.715%0.15223%0.233CC..Hα-helixtrans-61.3-42.2173.1-77.2-179.3000112A34 D35 T36 M40 L41 A42 R100 L101A34-L38 PolarHBondContact O-N 2.79Å; A34-L38 VanDerWaalsContact O-N 3.08Å; D35-L38 WeakPolarHBondContact O-CB 3.44Å; D35-L38 PolarHBondContact O-N 3.31Å; D35-L38 VanDerWaalsContact O-N 3.14Å; T36-L38 VanDerWaalsContact C-N 3.33Å; T36-L38 PolarHBondContact O-N 2.99Å; L38-M40 VanDerWaalsContact C-N 3.3Å; L38-M40 PolarHBondContact O-N 2.93Å; L38-L41 PolarHBondContact O-N 2.81Å; L38-A42 PolarHBondContact O-N 2.98Å; L38-R100 HydrophobicContact CD1-CB 3.54Å; L38-R100 HydrophobicContact CD1-CG 3.8Å; L38-R100 HydrophobicContact CD2-CB 4.16Å; L38-R100 HydrophobicContact CG-CB 4.01Å; L38-L101 HydrophobicContact CD2-CD2 3.7Å; L38-L101 HydrophobicContact CD2-CG 4.24Å
39E89Confident91.2Very high100 Ų10035.6 Ų35.647%0.46721%0.209SC..Hα-helixtrans-62.9-39.1176.8-66.6-176.7-144.400111.6D35 T36 V37 A42 S43 P302D35-E39 PolarHBondContact O-N 3.13Å; T36-E39 WeakPolarHBondContact O-CB 3.4Å; T36-E39 PolarHBondContact O-N 3.12Å; V37-E39 VanDerWaalsContact C-N 3.33Å; V37-E39 PolarHBondContact O-N 3.11Å; E39-A42 WeakPolarHBondContact O-CB 3.32Å; E39-A42 PolarHBondContact O-N 2.84Å; E39-S43 PolarHBondContact O-N 2.79Å; E39-S43 PolarHBondContact O-OG 3Å; E39-P302 HydrophobicContact CB-CB 4.3Å; E39-P302 HydrophobicContact CB-CG 4.28Å; E39-P302 VanDerWaalsContact OE2-CB 3.23Å; E39-P302 WeakPolarHBondContact OE2-CB 3.46Å; E39-P302 WeakPolarHBondContact OE2-CG 3.28Å
40M89.1Confident91.5Very high2 Ų234.6 Ų34.61%0.0120%0.201CC..Hα-helixtrans-63.2-44.1173.9-63.8178.658.600112V5 V7 T36 V37 L38 A42 S43 Y45 I47 L301 L305V5-M40 HydrophobicContact CB-CE 4.29Å; V5-M40 HydrophobicContact CG1-CE 3.88Å; V7-M40 HydrophobicContact CG2-CE 3.53Å; V7-M40 HydrophobicContact CG2-SD 4.1Å; T36-M40 WeakPolarHBondContact O-CG 3.36Å; T36-M40 PolarHBondContact O-N 3.48Å; T36-M40 VanDerWaalsContact O-N 3.14Å; V37-M40 WeakPolarHBondContact O-CB 3.46Å; V37-M40 PolarHBondContact O-N 3.3Å; L38-M40 VanDerWaalsContact C-N 3.3Å; L38-M40 PolarHBondContact O-N 2.93Å; M40-A42 VanDerWaalsContact C-N 3.26Å; M40-A42 PolarHBondContact O-N 3.33Å; M40-S43 WeakPolarHBondContact O-CA 3.48Å; M40-S43 WeakPolarHBondContact O-CB 3.39Å; M40-S43 PolarHBondContact O-N 3.46Å; M40-Y45 WeakPolarHBondContact O-CD2 3.48Å; M40-I47 HydrophobicContact CB-CD1 3.42Å; M40-I47 VanDerWaalsContact CB-CD1 3.42Å; M40-I47 HydrophobicContact CE-CD1 3.93Å; M40-I47 HydrophobicContact CE-CG1 4.2Å; M40-I47 HydrophobicContact CE-CG2 4.48Å; M40-I47 HydrophobicContact CG-CD1 4.48Å; M40-I47 HydrophobicContact SD-CD1 4.38Å; M40-L301 HydrophobicContact SD-CD2 3.7Å; M40-L301 HydrophobicContact SD-CG 4.07Å; M40-L305 HydrophobicContact CB-CD1 4.43Å; M40-L305 HydrophobicContact CE-CD1 3.45Å; M40-L305 VanDerWaalsContact CE-CD1 3.45Å; M40-L305 HydrophobicContact CG-CD1 3.46Å; M40-L305 VanDerWaalsContact CG-CD1 3.46Å; M40-L305 HydrophobicContact SD-CD1 3.69Å
41L88.2Confident91.6Very high29 Ų2934.6 Ų34.615%0.15220%0.201CC..Hα-helixtrans-63.5-33.5178-70.6170.8000112.3V37 L38 S43 D44 I47 L101 K107 V188V37-L41 HydrophobicContact CG1-CD1 4.21Å; V37-L41 HydrophobicContact CG1-CG 4.39Å; V37-L41 VanDerWaalsContact O-CG 3.3Å; V37-L41 WeakPolarHBondContact O-CG 3.42Å; V37-L41 PolarHBondContact O-N 2.64Å; L38-L41 PolarHBondContact O-N 2.81Å; L41-S43 PolarHBondContact O-N 2.89Å; L41-D44 PolarHBondContact O-N 3.26Å; L41-I47 HydrophobicContact CD2-CD1 3.6Å; L41-I47 HydrophobicContact CD2-CG1 4.09Å; L41-I47 HydrophobicContact CG-CD1 3.68Å; L41-L101 HydrophobicContact CD1-CD2 3.51Å; L41-K107 HydrophobicContact CD1-CD 4.3Å; L41-K107 HydrophobicContact CD2-CD 4.05Å; L41-V188 HydrophobicContact CD1-CG2 3.97Å; L41-V188 HydrophobicContact CD2-CG2 4.07Å
42A86.9Confident91.6Very high88 Ų8831 Ų3173%0.72719%0.188SC*.Hα-helixtrans-66.2-20.2173.300000112.8L38 E39 M40 D44L38-A42 PolarHBondContact O-N 2.98Å; E39-A42 WeakPolarHBondContact O-CB 3.32Å; E39-A42 PolarHBondContact O-N 2.84Å; M40-A42 VanDerWaalsContact C-N 3.26Å; M40-A42 PolarHBondContact O-N 3.33Å; A42-D44 VanDerWaalsContact C-N 3.3Å
43S86.1Confident91.9Very high60 Ų6028.3 Ų28.342%0.4217%0.165SC..THydrogen-bonded Turntrans-90.514.2175.2-53.30000113.4E39 M40 L41E39-S43 PolarHBondContact O-N 2.79Å; E39-S43 PolarHBondContact O-OG 3Å; M40-S43 WeakPolarHBondContact O-CA 3.48Å; M40-S43 WeakPolarHBondContact O-CB 3.39Å; M40-S43 PolarHBondContact O-N 3.46Å; L41-S43 PolarHBondContact O-N 2.89Å
44D88.9Confident92Very high92 Ų9227.9 Ų27.949%0.49216%0.164SC..THydrogen-bonded Turntrans66.231.3173.8-150.642.5000116.4K2 L41 A42K2-D44 VanDerWaalsContact CB-O 3.29Å; K2-D44 WeakPolarHBondContact CB-O 3.33Å; K2-D44 WeakPolarHBondContact CD-O 3.49Å; K2-D44 WeakPolarHBondContact CD-OD1 3.34Å; K2-D44 WeakPolarHBondContact CE-OD1 3.45Å; K2-D44 VanDerWaalsContact CG-O 3.3Å; K2-D44 WeakPolarHBondContact CG-O 3.01Å; K2-D44 IonicContact NZ-OD1 2.78Å; K2-D44 PolarHBondContact NZ-OD1 3.45Å; L41-D44 PolarHBondContact O-N 3.26Å; A42-D44 VanDerWaalsContact C-N 3.3Å
45Y92.8Very high92Very high39 Ų3928.1 Ų28.115%0.15317%0.166CC..  trans-90.4148.9172.3-62.7-68.6000113.1E3 V5 M40 I231E3-Y45 HydrophobicContact CB-CD1 3.99Å; E3-Y45 HydrophobicContact CB-CE1 4.11Å; V5-Y45 HydrophobicContact CG2-CD1 3.47Å; V5-Y45 VanDerWaalsContact CG2-CD1 3.47Å; V5-Y45 HydrophobicContact CG2-CE1 4.09Å; V5-Y45 HydrophobicContact CG2-CG 3.74Å; M40-Y45 WeakPolarHBondContact O-CD2 3.48Å; Y45-I231 HydrophobicContact CE1-CD1 4.36Å
46D95.4Very high92.1Very high34 Ų3425.2 Ų25.218%0.18215%0.15CC..EExtended strand (participates in β ladder)trans-88.7137.8157.8-75-35000109.1E3 L4 V5 K107 I183E3-D46 PolarHBondContact O-N 2.65Å; L4-D46 HydrophobicContact CD1-CB 4Å; V5-D46 PolarHBondContact N-O 3.47Å; D46-K107 IonicContact OD1-NZ 3.49Å; D46-I183 HydrophobicContact CB-CG2 3.9Å
47I96Very high92.4Very high1 Ų124.3 Ų24.31%0.00514%0.144CC..EExtended strand (participates in β ladder)trans-129.8130.1-164.7-56.5176.1000111.3V5 V7 V37 M40 L41 L49 V188 V189V5-I47 WeakPolarHBondContact O-CA 3.41Å; V7-I47 HydrophobicContact CG2-CG2 4.46Å; V37-I47 HydrophobicContact CG1-CD1 3.99Å; V37-I47 HydrophobicContact CG1-CG2 4.45Å; M40-I47 HydrophobicContact CB-CD1 3.42Å; M40-I47 VanDerWaalsContact CB-CD1 3.42Å; M40-I47 HydrophobicContact CE-CD1 3.93Å; M40-I47 HydrophobicContact CE-CG1 4.2Å; M40-I47 HydrophobicContact CE-CG2 4.48Å; M40-I47 HydrophobicContact CG-CD1 4.48Å; M40-I47 HydrophobicContact SD-CD1 4.38Å; L41-I47 HydrophobicContact CD2-CD1 3.6Å; L41-I47 HydrophobicContact CD2-CG1 4.09Å; L41-I47 HydrophobicContact CG-CD1 3.68Å; I47-L49 HydrophobicContact CG2-CD2 3.6Å; I47-L49 HydrophobicContact CG2-CG 4.18Å; I47-V188 HydrophobicContact CB-CG1 4.42Å; I47-V188 HydrophobicContact CG2-CG1 4.42Å; I47-V189 PolarHBondContact O-N 3.35Å
48V98Very high92.7Very high0 Ų024.5 Ų24.50%015%0.147CC..EExtended strand (participates in β ladder)trans-115.8135.3164.4-1790000109L4 V5 V6 V7 I179 I183 V189 L223 I227L4-V48 HydrophobicContact CD1-CG2 4.13Å; V5-V48 PolarHBondContact O-N 2.8Å; V6-V48 CarbonylContact C-O 3.58Å; V6-V48 WeakPolarHBondContact CA-O 3.33Å; V6-V48 HydrophobicContact CG1-CB 4.37Å; V6-V48 HydrophobicContact CG1-CG1 4.4Å; V6-V48 HydrophobicContact CG2-CB 4.11Å; V7-V48 PolarHBondContact N-O 3.26Å; V48-I179 HydrophobicContact CG1-CG2 4.47Å; V48-I179 HydrophobicContact CG2-CG2 4.41Å; V48-I183 HydrophobicContact CG2-CD1 3.14Å; V48-I183 HydrophobicContact CG2-CG1 3.69Å; V48-V189 CarbonylContact C-O 3.55Å; V48-V189 VanDerWaalsContact CA-O 3.28Å; V48-V189 WeakPolarHBondContact CA-O 3.49Å; V48-L223 HydrophobicContact CG1-CD2 3.77Å; V48-I227 HydrophobicContact CB-CD1 4.42Å; V48-I227 HydrophobicContact CG2-CD1 3.77Å
49L97.5Very high92.9Very high1 Ų124.2 Ų24.21%0.00515%0.146CC..EExtended strand (participates in β ladder)trans-109.1135.2175.3-53178.5000109.3V7 I9 V37 I47 I93 L97 V188 V189 I190 G191V7-L49 HydrophobicContact CB-CD2 3.81Å; V7-L49 HydrophobicContact CG1-CD2 4.49Å; V7-L49 HydrophobicContact CG2-CD2 4.22Å; I9-L49 HydrophobicContact CD1-CB 4.19Å; I9-L49 HydrophobicContact CD1-CD1 4.41Å; I9-L49 HydrophobicContact CD1-CD2 4.47Å; V37-L49 HydrophobicContact CG2-CD1 3.95Å; V37-L49 HydrophobicContact CG2-CD2 3.79Å; V37-L49 HydrophobicContact CG2-CG 4.49Å; I47-L49 HydrophobicContact CG2-CD2 3.6Å; I47-L49 HydrophobicContact CG2-CG 4.18Å; L49-I93 HydrophobicContact CD1-CG2 3.93Å; L49-L97 HydrophobicContact CD1-CD1 3.77Å; L49-V188 HydrophobicContact CD1-CG1 4.39Å; L49-V188 HydrophobicContact CG-CG1 4.45Å; L49-V189 PolarHBondContact N-O 3.04Å; L49-I190 HydrophobicContact CB-CG1 4.23Å; L49-I190 HydrophobicContact CD1-CG1 4.3Å; L49-I190 VanDerWaalsContact O-CA 3.32Å; L49-I190 WeakPolarHBondContact O-CA 3.49Å; L49-G191 PolarHBondContact O-N 3.33Å
50T97.5Very high93.3Very high0 Ų021.2 Ų21.20%013%0.133CC..EExtended strand (participates in β ladder)trans-115.5160.7160.675.20000108.2V6 V7 A8 I9 G191 A192 T220 L223V6-T50 HydrophobicContact CG1-CG2 4.19Å; V7-T50 PolarHBondContact O-N 3.24Å; A8-T50 WeakPolarHBondContact CA-OG1 3.45Å; I9-T50 WeakPolarHBondContact CB-O 3.38Å; I9-T50 PolarHBondContact N-O 2.8Å; T50-G191 WeakPolarHBondContact CA-O 3.4Å; T50-G191 WeakPolarHBondContact CG2-O 3.44Å; T50-A192 HydrophobicContact CG2-CB 4.27Å; T50-T220 HydrophobicContact CG2-CG2 3.74Å; T50-T220 WeakPolarHBondContact OG1-CG2 3.48Å; T50-T220 PolarHBondContact OG1-OG1 3.42Å; T50-L223 HydrophobicContact CG2-CD2 3.7Å
51H95.4Very high93.7Very high1 Ų121.9 Ų21.91%0.00514%0.136CC..EExtended strand (participates in β ladder)trans-142152.4176.765.481.6000111.1I9 I14 I89 I93 G193 G194I9-H51 HydrophobicContact CB-CB 4.19Å; I9-H51 CarbonylContact O-C 3.56Å; I9-H51 VanDerWaalsContact O-CA 3.28Å; I9-H51 WeakPolarHBondContact O-CA 3.37Å; I14-H51 HydrophobicContact CD1-CB 4.15Å; H51-I89 HydrophobicContact CB-CG2 4.44Å; H51-I89 VanDerWaalsContact CE1-CB 3.45Å; H51-I89 WeakPolarHBondContact CE1-CB 3.46Å; H51-I89 WeakPolarHBondContact ND1-CG2 3.4Å; H51-I93 HydrophobicContact CB-CD1 4.17Å; H51-G193 WeakPolarHBondContact NE2-CA 3.44Å; H51-G194 WeakPolarHBondContact O-CA 3.35Å; H51-G194 PolarHBondContact O-N 3.08Å
52G93Very high94Very high8 Ų823.5 Ų23.58%0.08214%0.14CC..  trans-77.2162.1166.300000111.6I9I9-G52 PolarHBondContact O-N 2.9Å
53N94.4Very high94.4Very high3 Ų326 Ų262%0.01613%0.131CC..  trans-136.77.8174.869.2-16000113.1Q56 V57 T85 I89 G194N53-Q56 VanDerWaalsContact C-OE1 3.31Å; N53-Q56 CarbonylContact O-C 3.59Å; N53-Q56 WeakPolarHBondContact O-CA 3.41Å; N53-Q56 WeakPolarHBondContact O-CB 3.46Å; N53-Q56 PolarHBondContact O-N 3.25Å; N53-Q56 PolarHBondContact O-OE1 2.5Å; N53-V57 WeakPolarHBondContact O-CG1 3.34Å; N53-V57 PolarHBondContact O-N 3.28Å; N53-T85 PolarHBondContact ND2-OG1 3.12Å; N53-I89 HydrophobicContact CB-CD1 3.85Å; N53-G194 VanDerWaalsContact OD1-CA 3.25Å; N53-G194 WeakPolarHBondContact OD1-CA 3.34Å
54G91.4Very high94.9Very high8 Ų823.8 Ų23.88%0.08212%0.116CC..Hα-helixtrans-48.8-51.3-168.400000114.4V57 I132 G133 R162G54-V57 WeakPolarHBondContact O-CG1 3.45Å; G54-I132 CarbonylContact O-C 3.52Å; G54-I132 VanDerWaalsContact O-CA 3.24Å; G54-I132 WeakPolarHBondContact O-CA 3.14Å; G54-G133 PolarHBondContact O-N 3.42Å; G54-R162 PolarHBondContact O-NH2 3.46Å
55P91.2Very high95.2Very high5 Ų520.4 Ų20.43%0.03210%0.097CC..Hα-helixtrans-60.1-48.5173.2-25.936.5000113I15 L59 G133I15-P55 HydrophobicContact CB-CB 4Å; I15-P55 HydrophobicContact CB-CG 4.35Å; I15-P55 HydrophobicContact CD1-CB 4Å; I15-P55 HydrophobicContact CG2-CB 4.02Å; P55-L59 VanDerWaalsContact O-CG 3.3Å; P55-L59 WeakPolarHBondContact O-CG 3.29Å; P55-L59 PolarHBondContact O-N 3.1Å; P55-L59 VanDerWaalsContact O-N 3.16Å; P55-G133 VanDerWaalsContact O-CA 3.31Å; P55-G133 WeakPolarHBondContact O-CA 3.4Å
56Q94.6Very high95.3Very high8 Ų822.1 Ų22.14%0.03711%0.108CC..Hα-helixtrans-63-47.8-176.2-64.783.6-14.500112.9I15 Q26 N53 G58 L59 D60 T85 I89I15-Q56 HydrophobicContact CD1-CG 3.62Å; I15-Q56 HydrophobicContact CG1-CG 4.46Å; Q26-Q56 VanDerWaalsContact OE1-NE2 3.13Å; N53-Q56 VanDerWaalsContact C-OE1 3.31Å; N53-Q56 CarbonylContact O-C 3.59Å; N53-Q56 WeakPolarHBondContact O-CA 3.41Å; N53-Q56 WeakPolarHBondContact O-CB 3.46Å; N53-Q56 PolarHBondContact O-N 3.25Å; N53-Q56 PolarHBondContact O-OE1 2.5Å; Q56-G58 VanDerWaalsContact C-N 3.3Å; Q56-G58 PolarHBondContact O-N 3.31Å; Q56-L59 WeakPolarHBondContact O-CB 3.22Å; Q56-L59 PolarHBondContact O-N 3.43Å; Q56-D60 PolarHBondContact O-N 3.2Å; Q56-T85 HydrophobicContact CB-CG2 3.69Å; Q56-I89 HydrophobicContact CB-CD1 4.15Å; Q56-I89 HydrophobicContact CG-CD1 3.8Å; Q56-I89 HydrophobicContact CG-CG1 4.29Å
57V96Very high95.4Very high0 Ų021.9 Ų21.90%011%0.111CC..Hα-helixtrans-64.8-36.6-174.468.50000111.6N53 G54 D60 L61 L78 C81 V82 T85 I132 V213N53-V57 WeakPolarHBondContact O-CG1 3.34Å; N53-V57 PolarHBondContact O-N 3.28Å; G54-V57 WeakPolarHBondContact O-CG1 3.45Å; V57-D60 PolarHBondContact O-N 3.05Å; V57-L61 WeakPolarHBondContact O-CB 3.49Å; V57-L61 PolarHBondContact O-N 2.93Å; V57-L78 HydrophobicContact CG2-CD1 3.73Å; V57-C81 HydrophobicContact CG2-CB 3.77Å; V57-V82 HydrophobicContact CG2-CG2 3.79Å; V57-T85 HydrophobicContact CB-CG2 4.23Å; V57-I132 HydrophobicContact CG1-CB 4.13Å; V57-I132 HydrophobicContact CG1-CG2 3.69Å; V57-V213 HydrophobicContact CG1-CG2 4.09Å; V57-V213 HydrophobicContact CG2-CG2 4.24Å
58G95.4Very high95.4Very high7 Ų725.7 Ų25.77%0.07213%0.129CC..Hα-helixtrans-76.5-25.4174.600000113.4Q56 R62Q56-G58 VanDerWaalsContact C-N 3.3Å; Q56-G58 PolarHBondContact O-N 3.31Å; G58-R62 VanDerWaalsContact O-CB 3.22Å; G58-R62 WeakPolarHBondContact O-CB 3.41Å; G58-R62 PolarHBondContact O-N 2.92Å
59L94.8Very high95.2Very high22 Ų2231.1 Ų31.112%0.11515%0.154CC..Hα-helixtrans-68.1-42.3169.8-70.7170.6000110.8I15 Q21 P55 Q56 R62 R63 A134I15-L59 HydrophobicContact CD1-CD1 4.14Å; Q21-L59 HydrophobicContact CB-CD1 4.02Å; Q21-L59 HydrophobicContact CG-CD1 3.98Å; P55-L59 VanDerWaalsContact O-CG 3.3Å; P55-L59 WeakPolarHBondContact O-CG 3.29Å; P55-L59 PolarHBondContact O-N 3.1Å; P55-L59 VanDerWaalsContact O-N 3.16Å; Q56-L59 WeakPolarHBondContact O-CB 3.22Å; Q56-L59 PolarHBondContact O-N 3.43Å; L59-R62 PolarHBondContact O-N 2.97Å; L59-R63 VanDerWaalsContact O-CG 3.27Å; L59-R63 WeakPolarHBondContact O-CG 3.43Å; L59-R63 PolarHBondContact O-N 3.45Å; L59-A134 HydrophobicContact CD2-CB 4.14Å
60D96.6Very high95.2Very high37 Ų3740.7 Ų40.720%0.19819%0.19CC..Hα-helixtrans-66.3-43.9176.9-70.6-15.4000111.5Q56 V57 R62 R63 A64 C81 T85Q56-D60 PolarHBondContact O-N 3.2Å; V57-D60 PolarHBondContact O-N 3.05Å; D60-R62 VanDerWaalsContact C-N 3.31Å; D60-R62 PolarHBondContact O-N 2.81Å; D60-R63 WeakPolarHBondContact O-CB 3.28Å; D60-R63 PolarHBondContact O-N 3Å; D60-R63 IonicContact OD1-CZ 3.8Å; D60-R63 IonicContact OD1-NH1 2.71Å; D60-R63 PolarHBondContact OD1-NH1 3.18Å; D60-A64 PolarHBondContact O-N 3.03Å; D60-C81 HydrophobicContact CB-CB 4.24Å; D60-T85 WeakPolarHBondContact OD2-CG2 3.33Å
61L96.7Very high95.2Very high16 Ų1648 Ų488%0.08422%0.224CC..Hα-helixtrans-58.3-45.2172.2-176.764.7000111.2V57 R63 A64 E65 L78 I132V57-L61 WeakPolarHBondContact O-CB 3.49Å; V57-L61 PolarHBondContact O-N 2.93Å; L61-R63 VanDerWaalsContact C-N 3.34Å; L61-R63 PolarHBondContact O-N 3.27Å; L61-A64 WeakPolarHBondContact O-CB 3.35Å; L61-A64 PolarHBondContact O-N 3.04Å; L61-E65 WeakPolarHBondContact O-CG 3.46Å; L61-E65 PolarHBondContact O-N 3.12Å; L61-L78 HydrophobicContact CD2-CD1 4.3Å; L61-I132 HydrophobicContact CD2-CD1 3.9Å
62R95.1Very high95.2Very high63 Ų6350.7 Ų50.724%0.23825%0.252CS..Hα-helixtrans-66.1-35.6-179.6-172.558.5-176.1151.56.6112.5G58 L59 D60 A64 E65 I66 E69G58-R62 VanDerWaalsContact O-CB 3.22Å; G58-R62 WeakPolarHBondContact O-CB 3.41Å; G58-R62 PolarHBondContact O-N 2.92Å; L59-R62 PolarHBondContact O-N 2.97Å; D60-R62 VanDerWaalsContact C-N 3.31Å; D60-R62 PolarHBondContact O-N 2.81Å; R62-A64 VanDerWaalsContact C-N 3.35Å; R62-E65 VanDerWaalsContact CD-OE2 3.26Å; R62-E65 WeakPolarHBondContact CD-OE2 3.41Å; R62-E65 IonicContact CZ-OE2 3.9Å; R62-E65 IonicContact NH1-OE2 2.97Å; R62-E65 PolarHBondContact NH1-OE2 3.02Å; R62-E65 PolarHBondContact O-N 2.84Å; R62-I66 HydrophobicContact CG-CD1 3.97Å; R62-I66 VanDerWaalsContact O-CG1 3.27Å; R62-I66 WeakPolarHBondContact O-CG1 3.5Å; R62-I66 PolarHBondContact O-N 3.33Å; R62-E69 IonicContact NH1-OE1 3.8Å
63R96Very high95.4Very high142 Ų14254.3 Ų54.354%0.53627%0.269SS..Hα-helixtrans-61.4-44.7172.6-73.7165.7-177.2156.1-2.1110.9L59 D60 L61 I66 A67L59-R63 VanDerWaalsContact O-CG 3.27Å; L59-R63 WeakPolarHBondContact O-CG 3.43Å; L59-R63 PolarHBondContact O-N 3.45Å; D60-R63 WeakPolarHBondContact O-CB 3.28Å; D60-R63 PolarHBondContact O-N 3Å; D60-R63 IonicContact OD1-CZ 3.8Å; D60-R63 IonicContact OD1-NH1 2.71Å; D60-R63 PolarHBondContact OD1-NH1 3.18Å; L61-R63 VanDerWaalsContact C-N 3.34Å; L61-R63 PolarHBondContact O-N 3.27Å; R63-I66 PolarHBondContact O-N 3.03Å; R63-A67 WeakPolarHBondContact O-CB 3.46Å; R63-A67 PolarHBondContact O-N 3.1Å
64A96.7Very high95.6Very high12 Ų1259.5 Ų59.510%0.09930%0.303CS..Hα-helixtrans-63.4-42.617800000112.2D60 L61 R62 A67 H68D60-A64 PolarHBondContact O-N 3.03Å; L61-A64 WeakPolarHBondContact O-CB 3.35Å; L61-A64 PolarHBondContact O-N 3.04Å; R62-A64 VanDerWaalsContact C-N 3.35Å; A64-A67 PolarHBondContact O-N 3.28Å; A64-H68 WeakPolarHBondContact O-CB 3.48Å; A64-H68 PolarHBondContact O-N 2.97Å
65E94.8Very high95.7Very high22 Ų2263.8 Ų63.810%0.10332%0.324CS..Hα-helixtrans-61.1-48.3175.6-70.6169.9172.300112L61 R62 A67 H68 E69 L75 W151 R163L61-E65 WeakPolarHBondContact O-CG 3.46Å; L61-E65 PolarHBondContact O-N 3.12Å; R62-E65 VanDerWaalsContact CD-OE2 3.26Å; R62-E65 WeakPolarHBondContact CD-OE2 3.41Å; R62-E65 IonicContact CZ-OE2 3.9Å; R62-E65 IonicContact NH1-OE2 2.97Å; R62-E65 PolarHBondContact NH1-OE2 3.02Å; R62-E65 PolarHBondContact O-N 2.84Å; E65-A67 VanDerWaalsContact C-N 3.34Å; E65-A67 PolarHBondContact O-N 3.28Å; E65-H68 WeakPolarHBondContact O-CB 3.44Å; E65-H68 PolarHBondContact O-N 2.88Å; E65-E69 WeakPolarHBondContact O-CG 3.5Å; E65-E69 PolarHBondContact O-N 2.95Å; E65-L75 HydrophobicContact CG-CD2 4.43Å; E65-W151 VanDerWaalsContact OE1-CZ2 3.31Å; E65-W151 WeakPolarHBondContact OE1-CZ2 3.35Å; E65-W151 VanDerWaalsContact OE2-CH2 3.27Å; E65-W151 WeakPolarHBondContact OE2-CH2 3.41Å; E65-R163 IonicContact OE1-CZ 3.68Å; E65-R163 IonicContact OE1-NH1 2.79Å; E65-R163 PolarHBondContact OE1-NH1 3.29Å
66I94.9Very high96Very high74 Ų7466 Ų6638%0.37934%0.337SS..Hα-helixtrans-62.6-43.4178.8-68.3166.8000110.6R62 R63 H68 E69 R70R62-I66 HydrophobicContact CG-CD1 3.97Å; R62-I66 VanDerWaalsContact O-CG1 3.27Å; R62-I66 WeakPolarHBondContact O-CG1 3.5Å; R62-I66 PolarHBondContact O-N 3.33Å; R63-I66 PolarHBondContact O-N 3.03Å; I66-H68 VanDerWaalsContact C-N 3.33Å; I66-H68 PolarHBondContact O-N 2.93Å; I66-E69 PolarHBondContact O-N 3.29Å; I66-R70 HydrophobicContact CG2-CG 4.1Å; I66-R70 VanDerWaalsContact O-CB 3.3Å; I66-R70 WeakPolarHBondContact O-CB 3.46Å; I66-R70 WeakPolarHBondContact O-CG 3.4Å; I66-R70 PolarHBondContact O-N 3.14Å
67A97.5Very high96.1Very high30 Ų3068.3 Ų68.325%0.24835%0.353CS..Hα-helixtrans-65.8-37.3179.200000112R63 A64 E65 E71 G72 L73R63-A67 WeakPolarHBondContact O-CB 3.46Å; R63-A67 PolarHBondContact O-N 3.1Å; A64-A67 PolarHBondContact O-N 3.28Å; E65-A67 VanDerWaalsContact C-N 3.34Å; E65-A67 PolarHBondContact O-N 3.28Å; A67-E71 PolarHBondContact O-N 3.29Å; A67-G72 PolarHBondContact O-N 2.79Å; A67-L73 HydrophobicContact CB-CD1 4Å
68H96.3Very high96.2Very high80 Ų8068.9 Ų68.937%0.3736%0.356SS..Hα-helixtrans-62-49.7172.2-179.668.1000111.8A64 E65 I66 R70 G72 L73 L75A64-H68 WeakPolarHBondContact O-CB 3.48Å; A64-H68 PolarHBondContact O-N 2.97Å; E65-H68 WeakPolarHBondContact O-CB 3.44Å; E65-H68 PolarHBondContact O-N 2.88Å; I66-H68 VanDerWaalsContact C-N 3.33Å; I66-H68 PolarHBondContact O-N 2.93Å; H68-R70 VanDerWaalsContact C-N 3.33Å; H68-R70 PolarHBondContact O-N 3.26Å; H68-G72 WeakPolarHBondContact O-CA 3.46Å; H68-G72 PolarHBondContact O-N 2.96Å; H68-L73 WeakPolarHBondContact CA-O 3.5Å; H68-L73 WeakPolarHBondContact CB-O 3.23Å; H68-L73 PolarHBondContact ND1-O 3.36Å; H68-L75 HydrophobicContact CB-CD2 3.5Å; H68-L75 VanDerWaalsContact CB-CD2 3.5Å; H68-L75 HydrophobicContact CB-CG 4.07Å
69E94.1Very high96.3Very high115 Ų11568.7 Ų68.754%0.53735%0.353SS..Hα-helixtrans-62.8-36.9180-71.8169-162.500112.9R62 E65 I66R62-E69 IonicContact NH1-OE1 3.8Å; E65-E69 WeakPolarHBondContact O-CG 3.5Å; E65-E69 PolarHBondContact O-N 2.95Å; I66-E69 PolarHBondContact O-N 3.29Å
70R96.8Very high96.4Very high202 Ų20271.2 Ų71.276%0.76237%0.367SS*.Hα-helixtrans-90.9-33.8-172.4-65.3-66.7-177.9177.3-0.6113.9I66 H68I66-R70 HydrophobicContact CG2-CG 4.1Å; I66-R70 VanDerWaalsContact O-CB 3.3Å; I66-R70 WeakPolarHBondContact O-CB 3.46Å; I66-R70 WeakPolarHBondContact O-CG 3.4Å; I66-R70 PolarHBondContact O-N 3.14Å; H68-R70 VanDerWaalsContact C-N 3.33Å; H68-R70 PolarHBondContact O-N 3.26Å
71E97.5Very high96.5Very high153 Ų15369.5 Ų69.572%0.71536%0.358SS*.Hα-helixtrans-128.1-4.6-170.9-61.3-171.1-169.800113.5A67 L73A67-E71 PolarHBondContact O-N 3.29Å; E71-L73 VanDerWaalsContact C-N 3.27Å; E71-L73 HydrophobicContact CB-CG 4.23Å; E71-L73 PolarHBondContact O-N 3.46Å
72G96.3Very high96.5Very high57 Ų5768.7 Ų68.759%0.58835%0.354SS*.  trans7218.5-178.500000113.9A67 H68A67-G72 PolarHBondContact O-N 2.79Å; H68-G72 WeakPolarHBondContact O-CA 3.46Å; H68-G72 PolarHBondContact O-N 2.96Å
73L97.4Very high96.7Very high84 Ų8466.9 Ų66.944%0.4435%0.352SS..PPolyproline II helixtrans-61.9146.8173.9-62.1-170000110.6A67 H68 E71 L75A67-L73 HydrophobicContact CB-CD1 4Å; H68-L73 WeakPolarHBondContact CA-O 3.5Å; H68-L73 WeakPolarHBondContact CB-O 3.23Å; H68-L73 PolarHBondContact ND1-O 3.36Å; E71-L73 VanDerWaalsContact C-N 3.27Å; E71-L73 HydrophobicContact CB-CG 4.23Å; E71-L73 PolarHBondContact O-N 3.46Å; L73-L75 PolarHBondContact O-N 3.35Å
74P96.6Very high96.8Very high113 Ų11364.6 Ų64.673%0.73435%0.351SS*.PPolyproline II helixtrans-56.6139.3173.9-24.434.4000111.8
75L95.3Very high96.8Very high98 Ų9864.2 Ų64.251%0.51335%0.347SS..PPolyproline II helixtrans-62139172.3-72.3171.7000109.9E65 H68 L73 P77E65-L75 HydrophobicContact CG-CD2 4.43Å; H68-L75 HydrophobicContact CB-CD2 3.5Å; H68-L75 VanDerWaalsContact CB-CD2 3.5Å; H68-L75 HydrophobicContact CB-CG 4.07Å; L73-L75 PolarHBondContact O-N 3.35Å; L75-P77 WeakPolarHBondContact O-CD 3.41Å
76T96.4Very high96.9Very high50 Ų5063.2 Ų63.231%0.30734%0.343SS..PPolyproline II helixtrans-87.8120.4172-570000108.2N80T76-N80 HydrophobicContact CG2-CB 3.66Å
77P96.6Very high97.1Very high58 Ų5861.1 Ų61.138%0.37734%0.339SS..PPolyproline II helixtrans-57.9151.5176.7-24.634.4000111.9L75 A79 N80 C81L75-P77 WeakPolarHBondContact O-CD 3.41Å; P77-A79 PolarHBondContact O-N 3.02Å; P77-N80 WeakPolarHBondContact O-CA 3.41Å; P77-N80 WeakPolarHBondContact O-CB 3.34Å; P77-N80 PolarHBondContact O-N 2.88Å; P77-C81 PolarHBondContact O-N 2.96Å; P77-C81 VanDerWaalsContact O-N 3.08Å
78L97.5Very high97.1Very high12 Ų1261.4 Ų61.46%0.06335%0.345CS..Hα-helixtrans-63.4-35.8-177.3177.354.4000111.2V57 L61 N80 C81 V82 V165 D211 V213V57-L78 HydrophobicContact CG2-CD1 3.73Å; L61-L78 HydrophobicContact CD2-CD1 4.3Å; L78-N80 VanDerWaalsContact C-N 3.26Å; L78-N80 PolarHBondContact O-N 3.49Å; L78-C81 HydrophobicContact CD1-CB 4.43Å; L78-C81 WeakPolarHBondContact O-CB 3.35Å; L78-C81 PolarHBondContact O-N 2.92Å; L78-C81 VanDerWaalsContact O-N 3.14Å; L78-V82 WeakPolarHBondContact O-CG2 3.23Å; L78-V82 PolarHBondContact O-N 3.35Å; L78-V165 HydrophobicContact CD2-CB 4.12Å; L78-V165 HydrophobicContact CD2-CG1 4.05Å; L78-V165 HydrophobicContact CD2-CG2 4.2Å; L78-D211 HydrophobicContact CB-CB 4.1Å; L78-D211 PolarHBondContact N-OD1 3.34Å; L78-V213 HydrophobicContact CD1-CG2 3.87Å; L78-V213 HydrophobicContact CD2-CG2 4.08Å; L78-V213 HydrophobicContact CG-CG2 4.07Å
79A97.5Very high97.1Very high2 Ų257.8 Ų57.82%0.01733%0.328CS..Hα-helixtrans-59.4-36.6173.500000112.8P77 V82 A83 I197P77-A79 PolarHBondContact O-N 3.02Å; A79-V82 WeakPolarHBondContact O-CB 3.34Å; A79-V82 PolarHBondContact O-N 3.2Å; A79-A83 PolarHBondContact O-N 2.9Å; A79-I197 HydrophobicContact CB-CG2 4.17Å
80N97.8Very high97.2Very high75 Ų7552.3 Ų52.340%0.40130%0.302SS..Hα-helixtrans-70.2-39.8174.5-71.578.2000111.3T76 P77 L78 V82 A83 D84T76-N80 HydrophobicContact CG2-CB 3.66Å; P77-N80 WeakPolarHBondContact O-CA 3.41Å; P77-N80 WeakPolarHBondContact O-CB 3.34Å; P77-N80 PolarHBondContact O-N 2.88Å; L78-N80 VanDerWaalsContact C-N 3.26Å; L78-N80 PolarHBondContact O-N 3.49Å; N80-V82 PolarHBondContact O-N 3.43Å; N80-A83 WeakPolarHBondContact O-CA 3.5Å; N80-A83 WeakPolarHBondContact O-CB 3.37Å; N80-A83 PolarHBondContact O-N 2.87Å; N80-D84 PolarHBondContact O-N 3.33Å
81C98.2Very high97.3Very high1 Ų148.3 Ų48.31%0.00729%0.288CS..Hα-helixtrans-60.3-36.3171.6-58.10000111.8V57 D60 P77 L78 T85V57-C81 HydrophobicContact CG2-CB 3.77Å; D60-C81 HydrophobicContact CB-CB 4.24Å; P77-C81 PolarHBondContact O-N 2.96Å; P77-C81 VanDerWaalsContact O-N 3.08Å; L78-C81 HydrophobicContact CD1-CB 4.43Å; L78-C81 WeakPolarHBondContact O-CB 3.35Å; L78-C81 PolarHBondContact O-N 2.92Å; L78-C81 VanDerWaalsContact O-N 3.14Å; C81-T85 WeakPolarHBondContact O-CB 3.46Å; C81-T85 WeakPolarHBondContact O-CG2 3.44Å; C81-T85 PolarHBondContact O-N 3.27Å; C81-T85 PolarHBondContact O-OG1 3.14Å
82V98.2Very high97.3Very high0 Ų041.6 Ų41.60%026%0.257CS..Hα-helixtrans-64.3-43.8172.4176.20000110.7V57 L78 A79 N80 T85 Q86 G196 I197 V213V57-V82 HydrophobicContact CG2-CG2 3.79Å; L78-V82 WeakPolarHBondContact O-CG2 3.23Å; L78-V82 PolarHBondContact O-N 3.35Å; A79-V82 WeakPolarHBondContact O-CB 3.34Å; A79-V82 PolarHBondContact O-N 3.2Å; N80-V82 PolarHBondContact O-N 3.43Å; V82-T85 WeakPolarHBondContact CA-OG1 3.33Å; V82-T85 PolarHBondContact O-N 3.07Å; V82-T85 PolarHBondContact O-OG1 3.12Å; V82-Q86 WeakPolarHBondContact O-CG 3.34Å; V82-Q86 PolarHBondContact O-N 2.61Å; V82-G196 WeakPolarHBondContact CG1-O 3.48Å; V82-I197 HydrophobicContact CG1-CG1 4.05Å; V82-V213 HydrophobicContact CG2-CG2 3.92Å
83A98.2Very high97.3Very high25 Ų2538.9 Ų38.921%0.20723%0.229CC..Hα-helixtrans-61.3-46.5176.800000112.3A79 N80 T85 Q86 G87 I197A79-A83 PolarHBondContact O-N 2.9Å; N80-A83 WeakPolarHBondContact O-CA 3.5Å; N80-A83 WeakPolarHBondContact O-CB 3.37Å; N80-A83 PolarHBondContact O-N 2.87Å; A83-T85 VanDerWaalsContact C-N 3.33Å; A83-T85 PolarHBondContact O-N 3.28Å; A83-Q86 WeakPolarHBondContact O-CB 3.4Å; A83-Q86 PolarHBondContact O-N 3.36Å; A83-G87 PolarHBondContact O-N 3.14Å; A83-I197 HydrophobicContact CB-CD1 3.52Å; A83-I197 HydrophobicContact CB-CG1 3.97Å
84D97.9Very high97.2Very high93 Ų9337.5 Ų37.550%0.49722%0.22SC..Hα-helixtrans-61.5-42.7178.5-69.9-17.7000111N80 G87 G88N80-D84 PolarHBondContact O-N 3.33Å; D84-G87 PolarHBondContact O-N 3.47Å; D84-G88 PolarHBondContact O-N 3.45Å
85T97.1Very high97.3Very high4 Ų436 Ų363%0.02520%0.204CC..Hα-helixtrans-72-30.1177.652.30000113.6N53 Q56 V57 D60 C81 V82 A83 I89N53-T85 PolarHBondContact ND2-OG1 3.12Å; Q56-T85 HydrophobicContact CB-CG2 3.69Å; V57-T85 HydrophobicContact CB-CG2 4.23Å; D60-T85 WeakPolarHBondContact OD2-CG2 3.33Å; C81-T85 WeakPolarHBondContact O-CB 3.46Å; C81-T85 WeakPolarHBondContact O-CG2 3.44Å; C81-T85 PolarHBondContact O-N 3.27Å; C81-T85 PolarHBondContact O-OG1 3.14Å; V82-T85 WeakPolarHBondContact CA-OG1 3.33Å; V82-T85 PolarHBondContact O-N 3.07Å; V82-T85 PolarHBondContact O-OG1 3.12Å; A83-T85 VanDerWaalsContact C-N 3.33Å; A83-T85 PolarHBondContact O-N 3.28Å; T85-I89 VanDerWaalsContact O-CB 3.24Å; T85-I89 WeakPolarHBondContact O-CB 3.49Å; T85-I89 VanDerWaalsContact O-CG1 3.28Å; T85-I89 WeakPolarHBondContact O-CG1 3.37Å; T85-I89 PolarHBondContact O-N 3.34Å
86Q97.6Very high97.3Very high2 Ų231.6 Ų31.61%0.00918%0.182CC..Hα-helixtrans-62-49.9168.7-77.7-168.533.800111.3V82 A83 G90 T114 G193 G196 I197V82-Q86 WeakPolarHBondContact O-CG 3.34Å; V82-Q86 PolarHBondContact O-N 2.61Å; A83-Q86 WeakPolarHBondContact O-CB 3.4Å; A83-Q86 PolarHBondContact O-N 3.36Å; Q86-G90 WeakPolarHBondContact O-CA 3.47Å; Q86-G90 PolarHBondContact O-N 3.47Å; Q86-T114 PolarHBondContact NE2-O 3.14Å; Q86-T114 VanDerWaalsContact NE2-O 3.1Å; Q86-G193 WeakPolarHBondContact CG-O 3.25Å; Q86-G193 PolarHBondContact NE2-O 3.43Å; Q86-G196 VanDerWaalsContact NE2-C 3.3Å; Q86-I197 VanDerWaalsContact NE2-N 3.11Å
87G97.9Very high97.3Very high29 Ų2929.2 Ų29.230%0.29917%0.167SC..Hα-helixtrans-64-47.3178.700000112.1A83 D84 Y91A83-G87 PolarHBondContact O-N 3.14Å; D84-G87 PolarHBondContact O-N 3.47Å; G87-Y91 WeakPolarHBondContact O-CB 3.44Å; G87-Y91 PolarHBondContact O-N 3.39Å
88G97.1Very high97.3Very high36 Ų3628 Ų2837%0.37116%0.157SC..Hα-helixtrans-66.4-50.6-176.900000113.2D84 L92D84-G88 PolarHBondContact O-N 3.45Å; G88-L92 WeakPolarHBondContact O-CG 3.35Å; G88-L92 PolarHBondContact O-N 3.46Å
89I96.2Very high97.1Very high4 Ų432.1 Ų32.12%0.02118%0.179CC..Hα-helixtrans-71.4-43.9178.6-61.2168.7000110.4I14 H51 N53 Q56 T85 Y91 L92 I93I14-I89 HydrophobicContact CD1-CG2 3.57Å; H51-I89 HydrophobicContact CB-CG2 4.44Å; H51-I89 VanDerWaalsContact CE1-CB 3.45Å; H51-I89 WeakPolarHBondContact CE1-CB 3.46Å; H51-I89 WeakPolarHBondContact ND1-CG2 3.4Å; N53-I89 HydrophobicContact CB-CD1 3.85Å; Q56-I89 HydrophobicContact CB-CD1 4.15Å; Q56-I89 HydrophobicContact CG-CD1 3.8Å; Q56-I89 HydrophobicContact CG-CG1 4.29Å; T85-I89 VanDerWaalsContact O-CB 3.24Å; T85-I89 WeakPolarHBondContact O-CB 3.49Å; T85-I89 VanDerWaalsContact O-CG1 3.28Å; T85-I89 WeakPolarHBondContact O-CG1 3.37Å; T85-I89 PolarHBondContact O-N 3.34Å; I89-Y91 VanDerWaalsContact C-N 3.28Å; I89-Y91 PolarHBondContact O-N 2.92Å; I89-L92 PolarHBondContact O-N 3.05Å; I89-L92 VanDerWaalsContact O-N 3.08Å; I89-I93 HydrophobicContact CG2-CD1 3.82Å; I89-I93 HydrophobicContact CG2-CG1 4.32Å; I89-I93 WeakPolarHBondContact O-CG1 3.26Å; I89-I93 PolarHBondContact O-N 3.23Å
90G97.5Very high96.9Very high0 Ų033.8 Ų33.80%019%0.185CC..Hα-helixtrans-58.7-40.817700000111.9Q86 L92 I93 Q94 T111Q86-G90 WeakPolarHBondContact O-CA 3.47Å; Q86-G90 PolarHBondContact O-N 3.47Å; G90-L92 PolarHBondContact O-N 3.03Å; G90-I93 PolarHBondContact O-N 3.39Å; G90-Q94 WeakPolarHBondContact O-CB 3.43Å; G90-Q94 PolarHBondContact O-N 3.35Å; G90-T111 WeakPolarHBondContact CA-OG1 3.37Å; G90-T111 PolarHBondContact O-OG1 3.25Å; G90-T111 VanDerWaalsContact O-OG1 3.06Å
91Y97.8Very high96.6Very high119 Ų11930.5 Ų30.547%0.46717%0.168SC..Hα-helixtrans-55.6-49.4170.6158.5-108.6000112.5G87 I89 I93 Q94 Q95G87-Y91 WeakPolarHBondContact O-CB 3.44Å; G87-Y91 PolarHBondContact O-N 3.39Å; I89-Y91 VanDerWaalsContact C-N 3.28Å; I89-Y91 PolarHBondContact O-N 2.92Å; Y91-I93 PolarHBondContact O-N 3.4Å; Y91-Q94 PolarHBondContact O-N 3.48Å; Y91-Q95 HydrophobicContact CE2-CB 4.32Å; Y91-Q95 VanDerWaalsContact O-CB 3.29Å; Y91-Q95 WeakPolarHBondContact O-CB 3.43Å; Y91-Q95 PolarHBondContact O-N 2.83Å; Y91-Q95 PolarHBondContact OH-NE2 3.02Å; Y91-Q95 PolarHBondContact OH-OE1 3.24Å
92L97.3Very high96.2Very high11 Ų1133.4 Ų33.46%0.05819%0.192CC..Hα-helixtrans-61.2-46-179.8-67.4177.4000111.3I23 Q26 A27 V30 G88 I89 G90 Q95 A96I23-L92 HydrophobicContact CG2-CD1 4.45Å; I23-L92 HydrophobicContact CG2-CD2 4.35Å; Q26-L92 HydrophobicContact CB-CD1 3.93Å; A27-L92 HydrophobicContact CB-CD2 4.05Å; V30-L92 HydrophobicContact CG1-CB 4.48Å; V30-L92 HydrophobicContact CG2-CB 3.98Å; G88-L92 WeakPolarHBondContact O-CG 3.35Å; G88-L92 PolarHBondContact O-N 3.46Å; I89-L92 PolarHBondContact O-N 3.05Å; I89-L92 VanDerWaalsContact O-N 3.08Å; G90-L92 PolarHBondContact O-N 3.03Å; L92-Q95 PolarHBondContact O-N 3.21Å; L92-A96 WeakPolarHBondContact O-CB 3.41Å; L92-A96 PolarHBondContact O-N 3.13Å
93I96.3Very high95.7Very high0 Ų042.8 Ų42.80%023%0.227CC..Hα-helixtrans-62.5-49.1177.2-63.9170000110.2I9 V30 L49 H51 I89 G90 Y91 Q95 A96 L97 I190I9-I93 HydrophobicContact CD1-CD1 4.33Å; V30-I93 HydrophobicContact CB-CG1 4.03Å; V30-I93 HydrophobicContact CG1-CG1 3.65Å; L49-I93 HydrophobicContact CD1-CG2 3.93Å; H51-I93 HydrophobicContact CB-CD1 4.17Å; I89-I93 HydrophobicContact CG2-CD1 3.82Å; I89-I93 HydrophobicContact CG2-CG1 4.32Å; I89-I93 WeakPolarHBondContact O-CG1 3.26Å; I89-I93 PolarHBondContact O-N 3.23Å; G90-I93 PolarHBondContact O-N 3.39Å; Y91-I93 PolarHBondContact O-N 3.4Å; I93-Q95 VanDerWaalsContact C-N 3.33Å; I93-Q95 PolarHBondContact O-N 3.44Å; I93-A96 PolarHBondContact O-N 2.97Å; I93-L97 HydrophobicContact CG2-CD1 3.72Å; I93-L97 HydrophobicContact CG2-CG 4.32Å; I93-L97 WeakPolarHBondContact O-CB 3.45Å; I93-L97 WeakPolarHBondContact O-CG 3.48Å; I93-L97 PolarHBondContact O-N 2.98Å; I93-I190 HydrophobicContact CB-CG1 4.44Å; I93-I190 HydrophobicContact CG2-CD1 4.32Å; I93-I190 HydrophobicContact CG2-CG1 3.85Å
94Q97.2Very high94.8Very high55 Ų5548.4 Ų48.426%0.25725%0.249SC..Hα-helixtrans-58.5-44179.1178.1179.7-59.900111.6G90 Y91 N98 A109 T111 I190G90-Q94 WeakPolarHBondContact O-CB 3.43Å; G90-Q94 PolarHBondContact O-N 3.35Å; Y91-Q94 PolarHBondContact O-N 3.48Å; Q94-N98 WeakPolarHBondContact CG-ND2 3.4Å; Q94-N98 VanDerWaalsContact O-CB 3.25Å; Q94-N98 WeakPolarHBondContact O-CB 3.4Å; Q94-N98 VanDerWaalsContact O-CG 3.31Å; Q94-N98 PolarHBondContact O-N 3.34Å; Q94-N98 PolarHBondContact O-ND2 2.9Å; Q94-A109 HydrophobicContact CG-CB 4.21Å; Q94-A109 WeakPolarHBondContact CG-O 3.4Å; Q94-T111 PolarHBondContact OE1-OG1 3.09Å; Q94-I190 HydrophobicContact CB-CD1 4.3Å
95Q97.2Very high93.9Very high82 Ų8246 Ų4638%0.38325%0.246SC..Hα-helixtrans-64.5-46.3177.3-177.9172.170.900111Y91 L92 I93 L97 N98 N99Y91-Q95 HydrophobicContact CE2-CB 4.32Å; Y91-Q95 VanDerWaalsContact O-CB 3.29Å; Y91-Q95 WeakPolarHBondContact O-CB 3.43Å; Y91-Q95 PolarHBondContact O-N 2.83Å; Y91-Q95 PolarHBondContact OH-NE2 3.02Å; Y91-Q95 PolarHBondContact OH-OE1 3.24Å; L92-Q95 PolarHBondContact O-N 3.21Å; I93-Q95 VanDerWaalsContact C-N 3.33Å; I93-Q95 PolarHBondContact O-N 3.44Å; Q95-L97 VanDerWaalsContact C-N 3.33Å; Q95-L97 PolarHBondContact O-N 3.17Å; Q95-N98 PolarHBondContact O-N 2.88Å; Q95-N99 WeakPolarHBondContact O-CB 3.3Å; Q95-N99 PolarHBondContact O-N 3.27Å; Q95-N99 PolarHBondContact O-ND2 3.35Å
96A96Very high93Very high6 Ų654.5 Ų54.55%0.0529%0.286CS..Hα-helixtrans-60.8-41.7178.200000112.3V30 A34 L92 I93 R100V30-A96 HydrophobicContact CG2-CB 4.01Å; A34-A96 HydrophobicContact CB-CB 3.79Å; L92-A96 WeakPolarHBondContact O-CB 3.41Å; L92-A96 PolarHBondContact O-N 3.13Å; I93-A96 PolarHBondContact O-N 2.97Å; A96-R100 WeakPolarHBondContact O-CD 3.47Å; A96-R100 PolarHBondContact O-NH1 3.15Å
97L96Very high92.7Very high0 Ų057.3 Ų57.30%030%0.298CS..Hα-helixtrans-67.5-50.3175.4-74.2169.4000111.8A34 V37 L49 I93 Q95 N99 R100 L101 A109 V188 I190A34-L97 HydrophobicContact CB-CD2 3.77Å; A34-L97 HydrophobicContact CB-CG 4Å; V37-L97 HydrophobicContact CB-CD2 3.77Å; V37-L97 HydrophobicContact CG1-CD2 3.61Å; V37-L97 HydrophobicContact CG2-CD2 4.44Å; L49-L97 HydrophobicContact CD1-CD1 3.77Å; I93-L97 HydrophobicContact CG2-CD1 3.72Å; I93-L97 HydrophobicContact CG2-CG 4.32Å; I93-L97 WeakPolarHBondContact O-CB 3.45Å; I93-L97 WeakPolarHBondContact O-CG 3.48Å; I93-L97 PolarHBondContact O-N 2.98Å; Q95-L97 VanDerWaalsContact C-N 3.33Å; Q95-L97 PolarHBondContact O-N 3.17Å; L97-N99 VanDerWaalsContact C-N 3.31Å; L97-N99 PolarHBondContact O-N 3.3Å; L97-R100 CarbonylContact O-C 3.5Å; L97-R100 WeakPolarHBondContact O-CA 3.3Å; L97-R100 WeakPolarHBondContact O-CB 3.12Å; L97-R100 PolarHBondContact O-N 3.48Å; L97-L101 HydrophobicContact CB-CD1 4.23Å; L97-L101 WeakPolarHBondContact O-CB 3.38Å; L97-L101 VanDerWaalsContact O-CG 3.26Å; L97-L101 WeakPolarHBondContact O-CG 3.28Å; L97-L101 PolarHBondContact O-N 3.28Å; L97-A109 HydrophobicContact CB-CB 3.7Å; L97-A109 HydrophobicContact CD1-CB 3.69Å; L97-A109 HydrophobicContact CG-CB 4.37Å; L97-V188 HydrophobicContact CD1-CG1 4.18Å; L97-I190 HydrophobicContact CD1-CD1 4.19Å
98N96.2Very high92.5Very high32 Ų3260.2 Ų60.217%0.17130%0.302CS..Hα-helixtrans-63.2-37-176.5-79.2-26.9000112.6Q94 Q95 R100 A102 K108 A109Q94-N98 WeakPolarHBondContact CG-ND2 3.4Å; Q94-N98 VanDerWaalsContact O-CB 3.25Å; Q94-N98 WeakPolarHBondContact O-CB 3.4Å; Q94-N98 VanDerWaalsContact O-CG 3.31Å; Q94-N98 PolarHBondContact O-N 3.34Å; Q94-N98 PolarHBondContact O-ND2 2.9Å; Q95-N98 PolarHBondContact O-N 2.88Å; N98-R100 PolarHBondContact O-N 3.47Å; N98-A102 VanDerWaalsContact O-CB 3.27Å; N98-A102 WeakPolarHBondContact O-CB 3.39Å; N98-A102 PolarHBondContact O-N 3.34Å; N98-K108 WeakPolarHBondContact OD1-CA 3.49Å; N98-A109 PolarHBondContact ND2-O 3.45Å; N98-A109 PolarHBondContact OD1-N 2.98Å
99N95Very high92.5Very high99 Ų9958.7 Ų58.753%0.52929%0.286SS..Hα-helixtrans-62.8-30.7175.1-73.3-14.2000112.8Q95 L97Q95-N99 WeakPolarHBondContact O-CB 3.3Å; Q95-N99 PolarHBondContact O-N 3.27Å; Q95-N99 PolarHBondContact O-ND2 3.35Å; L97-N99 VanDerWaalsContact C-N 3.31Å; L97-N99 PolarHBondContact O-N 3.3Å
100R92.7Very high92.6Very high36 Ų3660.2 Ų60.214%0.13630%0.296CS..Hα-helixtrans-82.7-51.8177.8-85.8167.7176.579.22.7111.7K31 D35 L38 A96 L97 N98 A102 R103 H104K31-R100 PolarHBondContact O-NH2 3.2Å; D35-R100 VanDerWaalsContact CG-NE 3.28Å; D35-R100 VanDerWaalsContact CG-NH2 3.3Å; D35-R100 IonicContact OD1-CZ 3.82Å; D35-R100 IonicContact OD1-NE 3.81Å; D35-R100 PolarHBondContact OD1-NE 2.82Å; D35-R100 IonicContact OD1-NH2 3.32Å; D35-R100 PolarHBondContact OD1-NH2 3.03Å; D35-R100 IonicContact OD2-CZ 2.93Å; D35-R100 IonicContact OD2-NE 3.25Å; D35-R100 IonicContact OD2-NH2 3.89Å; D35-R100 PolarHBondContact OD2-NH2 2.89Å; L38-R100 HydrophobicContact CD1-CB 3.54Å; L38-R100 HydrophobicContact CD1-CG 3.8Å; L38-R100 HydrophobicContact CD2-CB 4.16Å; L38-R100 HydrophobicContact CG-CB 4.01Å; A96-R100 WeakPolarHBondContact O-CD 3.47Å; A96-R100 PolarHBondContact O-NH1 3.15Å; L97-R100 CarbonylContact O-C 3.5Å; L97-R100 WeakPolarHBondContact O-CA 3.3Å; L97-R100 WeakPolarHBondContact O-CB 3.12Å; L97-R100 PolarHBondContact O-N 3.48Å; N98-R100 PolarHBondContact O-N 3.47Å; R100-A102 PolarHBondContact O-N 3.12Å; R100-R103 WeakPolarHBondContact O-CB 3.3Å; R100-R103 PolarHBondContact O-N 3.3Å; R100-H104 PolarHBondContact O-CD2 2.9Å
101L92Very high92.7Very high7 Ų761.8 Ų61.84%0.03731%0.305CS..Hα-helixtrans-57.8-35.1179.2-69.4169.4000112.4L38 L41 L97 R103 H104 G105 K107 A109 V188L38-L101 HydrophobicContact CD2-CD2 3.7Å; L38-L101 HydrophobicContact CD2-CG 4.24Å; L41-L101 HydrophobicContact CD1-CD2 3.51Å; L97-L101 HydrophobicContact CB-CD1 4.23Å; L97-L101 WeakPolarHBondContact O-CB 3.38Å; L97-L101 VanDerWaalsContact O-CG 3.26Å; L97-L101 WeakPolarHBondContact O-CG 3.28Å; L97-L101 PolarHBondContact O-N 3.28Å; L101-R103 PolarHBondContact O-N 2.85Å; L101-H104 CarbonylContact O-C 3.47Å; L101-H104 WeakPolarHBondContact O-CA 3.5Å; L101-H104 PolarHBondContact O-N 2.81Å; L101-G105 PolarHBondContact O-N 2.9Å; L101-G105 VanDerWaalsContact O-O 3.09Å; L101-K107 VanDerWaalsContact CB-O 3.32Å; L101-K107 WeakPolarHBondContact CB-O 3.29Å; L101-K107 HydrophobicContact CD2-CB 4.47Å; L101-A109 HydrophobicContact CD1-CB 4.46Å; L101-V188 HydrophobicContact CD1-CG2 4.47Å
102A89.4Confident92.7Very high62 Ų6257.2 Ų57.251%0.51229%0.29SS..THydrogen-bonded Turntrans-57.2-19.9175.800000113.9N98 R100N98-A102 VanDerWaalsContact O-CB 3.27Å; N98-A102 WeakPolarHBondContact O-CB 3.39Å; N98-A102 PolarHBondContact O-N 3.34Å; R100-A102 PolarHBondContact O-N 3.12Å
103R87.1Confident92.8Very high197 Ų19760.3 Ų60.374%0.74331%0.309SS*.THydrogen-bonded Turntrans-87.9-13.7175.8-55.7175.4-174.4162.9-0.6113.1R100 L101R100-R103 WeakPolarHBondContact O-CB 3.3Å; R100-R103 PolarHBondContact O-N 3.3Å; L101-R103 PolarHBondContact O-N 2.85Å
104H80Confident92.9Very high142 Ų14260.3 Ų60.366%0.65731%0.309SS*.THydrogen-bonded Turntrans-120.33.5-173-64-77.5000113.4R100 L101R100-H104 PolarHBondContact O-CD2 2.9Å; L101-H104 CarbonylContact O-C 3.47Å; L101-H104 WeakPolarHBondContact O-CA 3.5Å; L101-H104 PolarHBondContact O-N 2.81Å
105G79.1Confident92.9Very high43 Ų4360.7 Ų60.744%0.44331%0.311SS..  trans139.1-156.9175.800000113.2L101L101-G105 PolarHBondContact O-N 2.9Å; L101-G105 VanDerWaalsContact O-O 3.09Å
106E78.4Confident93Very high183 Ų18356.8 Ų56.886%0.85529%0.292SS*.SBendtrans-96.3-4.2-174.6-64-171.3167.800114.4K108E106-K108 PolarHBondContact O-N 3.48Å
107K89.8Confident93.1Very high61 Ų6158 Ų5827%0.26530%0.297SS..  trans-56.4135.6178.3-177.4170.8-75-149.10109.8L41 D46 L101 G186 V188L41-K107 HydrophobicContact CD1-CD 4.3Å; L41-K107 HydrophobicContact CD2-CD 4.05Å; D46-K107 IonicContact OD1-NZ 3.49Å; L101-K107 VanDerWaalsContact CB-O 3.32Å; L101-K107 WeakPolarHBondContact CB-O 3.29Å; L101-K107 HydrophobicContact CD2-CB 4.47Å; K107-G186 WeakPolarHBondContact CD-O 3.24Å; K107-G186 WeakPolarHBondContact CE-O 3.41Å; K107-G186 WeakPolarHBondContact CG-O 3.25Å; K107-V188 HydrophobicContact CD-CG2 3.91Å; K107-V188 HydrophobicContact CG-CG2 4.33Å
108K95.1Very high93.2Very high89 Ų8958.2 Ų58.239%0.38730%0.298SS..  trans-120.2150.4179.1-62.2-59.8177-173.90111.4N98 E106 F187 V188N98-K108 WeakPolarHBondContact OD1-CA 3.49Å; E106-K108 PolarHBondContact O-N 3.48Å; K108-F187 HydrophobicContact CB-CD1 4.01Å; K108-F187 HydrophobicContact CB-CE1 3.95Å; K108-F187 WeakPolarHBondContact O-CA 3.39Å; K108-V188 PolarHBondContact O-N 2.78Å
109A97.3Very high93.3Very high5 Ų559.2 Ų59.24%0.04130%0.304CS..EExtended strand (participates in β ladder)trans-89.9144.2164.500000110.4Q94 L97 N98 L101 V188 I190Q94-A109 HydrophobicContact CG-CB 4.21Å; Q94-A109 WeakPolarHBondContact CG-O 3.4Å; L97-A109 HydrophobicContact CB-CB 3.7Å; L97-A109 HydrophobicContact CD1-CB 3.69Å; L97-A109 HydrophobicContact CG-CB 4.37Å; N98-A109 PolarHBondContact ND2-O 3.45Å; N98-A109 PolarHBondContact OD1-N 2.98Å; L101-A109 HydrophobicContact CD1-CB 4.46Å; A109-V188 CarbonylContact C-O 3.53Å; A109-V188 WeakPolarHBondContact CA-O 3.4Å; A109-V188 HydrophobicContact CB-CB 4.28Å; A109-I190 HydrophobicContact CB-CD1 3.99Å
110V98Very high93.4Very high36 Ų3660.4 Ų60.422%0.21830%0.304CS..EExtended strand (participates in β ladder)trans-137.8133.6176.562.50000110.4L182 F187 V188 V189 I190V110-L182 HydrophobicContact CG1-CD1 3.99Å; V110-L182 HydrophobicContact CG1-CD2 4.39Å; V110-F187 HydrophobicContact CB-CD1 4.23Å; V110-F187 HydrophobicContact CG1-CB 3.9Å; V110-F187 HydrophobicContact CG1-CD1 4Å; V110-F187 HydrophobicContact CG1-CG 4.11Å; V110-V188 PolarHBondContact N-O 2.84Å; V110-V189 HydrophobicContact CG1-CG1 4.44Å; V110-V189 HydrophobicContact CG1-CG2 4.02Å; V110-V189 CarbonylContact O-C 3.53Å; V110-V189 WeakPolarHBondContact O-CA 3.49Å; V110-I190 PolarHBondContact O-N 3.35Å
111T98.5Very high93.5Very high33 Ų3364.6 Ų64.620%0.20233%0.329CS..EExtended strand (participates in β ladder)trans-95.3132.1173.5-56.60000110.2G90 Q94 I190G90-T111 WeakPolarHBondContact CA-OG1 3.37Å; G90-T111 PolarHBondContact O-OG1 3.25Å; G90-T111 VanDerWaalsContact O-OG1 3.06Å; Q94-T111 PolarHBondContact OE1-OG1 3.09Å; T111-I190 CarbonylContact C-O 3.59Å; T111-I190 WeakPolarHBondContact CA-O 3.28Å; T111-I190 HydrophobicContact CG2-CB 4.47Å
112V98.6Very high93.8Very high23 Ų2365.4 Ų65.414%0.13933%0.334CS..  trans-114114.1175.5-176.80000108.5T114 E175 I179 L182 V189 I190V112-T114 PolarHBondContact O-N 3.08Å; V112-T114 PolarHBondContact O-OG1 3.04Å; V112-E175 HydrophobicContact CG1-CB 4.12Å; V112-E175 HydrophobicContact CG1-CG 4.45Å; V112-I179 HydrophobicContact CB-CG1 4.35Å; V112-I179 HydrophobicContact CG1-CG1 4.36Å; V112-I179 HydrophobicContact CG2-CG1 4.38Å; V112-L182 HydrophobicContact CG2-CD1 3.57Å; V112-V189 HydrophobicContact CG2-CG1 3.92Å; V112-I190 PolarHBondContact N-O 3.22Å
113V98.4Very high94.1Very high76 Ų7666.9 Ų66.946%0.46134%0.338SS..  trans-63.1122.6168.5178.70000107.7I197V113-I197 HydrophobicContact CG1-CD1 3.49Å; V113-I197 VanDerWaalsContact CG1-CD1 3.49Å
114T98.6Very high94.4Very high0 Ų058.1 Ų58.10%031%0.309CS..  trans-122.2126.7-165.2-53.30000110.6Q86 V112 V116 I173 E175 A192 G196 I197Q86-T114 PolarHBondContact NE2-O 3.14Å; Q86-T114 VanDerWaalsContact NE2-O 3.1Å; V112-T114 PolarHBondContact O-N 3.08Å; V112-T114 PolarHBondContact O-OG1 3.04Å; T114-V116 HydrophobicContact CG2-CG2 4.29Å; T114-I173 HydrophobicContact CG2-CG2 3.28Å; T114-E175 WeakPolarHBondContact CA-OE2 3.36Å; T114-A192 HydrophobicContact CG2-CB 4.33Å; T114-A192 PolarHBondContact OG1-N 3.23Å; T114-G196 WeakPolarHBondContact O-CA 3.31Å; T114-I197 PolarHBondContact O-N 3.44Å
115Q98.7Very high95.1Very high62 Ų6254.4 Ų54.429%0.2929%0.291SS..EExtended strand (participates in β ladder)trans-92.9142.1169.1-64.1170.898.100110V174 E175 I197 V199Q115-V174 HydrophobicContact CB-CB 4.09Å; Q115-V174 HydrophobicContact CB-CG2 3.96Å; Q115-V174 PolarHBondContact O-N 2.84Å; Q115-E175 PolarHBondContact N-OE2 2.84Å; Q115-E175 PolarHBondContact NE2-OE1 3.38Å; Q115-I197 CarbonylContact C-O 3.56Å; Q115-I197 WeakPolarHBondContact CA-O 3.37Å; Q115-V199 HydrophobicContact CB-CG1 4.28Å; Q115-V199 HydrophobicContact CB-CG2 4.09Å; Q115-V199 HydrophobicContact CG-CG1 4.25Å
116V98.7Very high95.8Very high0 Ų055.8 Ų55.80%030%0.298CS..EExtended strand (participates in β ladder)trans-129.5118.9179.9176.70000109.1T114 P170 R172 I173 I197 P198 V199 I214 L222T114-V116 HydrophobicContact CG2-CG2 4.29Å; V116-P170 HydrophobicContact CG1-CB 3.48Å; V116-P170 VanDerWaalsContact CG1-CB 3.48Å; V116-R172 CarbonylContact C-O 3.52Å; V116-R172 WeakPolarHBondContact CA-O 3.38Å; V116-I173 HydrophobicContact CG2-CG1 4.06Å; V116-I173 HydrophobicContact CG2-CG2 4.46Å; V116-I197 PolarHBondContact N-O 3.09Å; V116-P198 WeakPolarHBondContact O-CA 3.41Å; V116-V199 PolarHBondContact O-N 2.69Å; V116-I214 HydrophobicContact CB-CD1 3.6Å; V116-I214 HydrophobicContact CG1-CD1 3.49Å; V116-I214 VanDerWaalsContact CG1-CD1 3.49Å; V116-L222 HydrophobicContact CG1-CD2 4.49Å
117E98.5Very high96.4Very high33 Ų3353.2 Ų53.215%0.15429%0.286CS..EExtended strand (participates in β ladder)trans-70.5132.1179.1-165.8179.3146.100109.9K171 R172 V199E117-K171 WeakPolarHBondContact O-CB 3.36Å; E117-K171 PolarHBondContact O-N 2.76Å; E117-R172 HydrophobicContact CB-CB 4.08Å; E117-R172 PolarHBondContact N-O 3.22Å; E117-R172 PolarHBondContact O-N 3.43Å; E117-R172 IonicContact OE2-NH1 3.6Å; E117-R172 PolarHBondContact OE2-NH1 3.47Å; E117-V199 CarbonylContact C-O 3.57Å; E117-V199 VanDerWaalsContact CA-O 3.25Å; E117-V199 WeakPolarHBondContact CA-O 3.25Å
118V98.3Very high96.5Very high4 Ų452.7 Ų52.72%0.02429%0.289CS..EExtended strand (participates in β ladder)trans-127.7164.2177.1-58.70000110.4F125 P168 P198 V199 V200 V210 I214V118-F125 HydrophobicContact CG2-CE2 4.44Å; V118-F125 HydrophobicContact CG2-CZ 4.11Å; V118-P168 HydrophobicContact CB-CB 4.06Å; V118-P168 HydrophobicContact CB-CG 4.02Å; V118-P168 HydrophobicContact CG1-CB 4.24Å; V118-P168 HydrophobicContact CG1-CG 3.84Å; V118-P168 HydrophobicContact CG2-CB 4.41Å; V118-P168 HydrophobicContact CG2-CG 4.07Å; V118-P198 HydrophobicContact CG1-CB 4.39Å; V118-P198 HydrophobicContact CG2-CB 4.39Å; V118-V199 PolarHBondContact N-O 2.98Å; V118-V200 HydrophobicContact CG2-CG1 3.94Å; V118-V210 HydrophobicContact CG2-CG2 4.06Å; V118-I214 HydrophobicContact CG1-CD1 3.55Å; V118-I214 HydrophobicContact CG1-CG1 4.15Å
119D97.2Very high96.3Very high53 Ų5352.9 Ų52.928%0.28330%0.298SS..  trans-77.6129.8175.1-153.6-56.8000111N121 D122 F125 K171D119-N121 PolarHBondContact O-N 3.08Å; D119-N121 VanDerWaalsContact O-N 3.1Å; D119-N121 PolarHBondContact OD1-N 2.66Å; D119-D122 HydrophobicContact CB-CB 4.12Å; D119-D122 VanDerWaalsContact O-CB 3.3Å; D119-D122 WeakPolarHBondContact O-CB 3.14Å; D119-D122 PolarHBondContact O-N 3.33Å; D119-F125 VanDerWaalsContact O-CE2 3.25Å; D119-F125 WeakPolarHBondContact O-CE2 3.4Å; D119-K171 HydrophobicContact CB-CD 3.96Å; D119-K171 IonicContact OD2-NZ 2.74Å; D119-K171 PolarHBondContact OD2-NZ 3.19Å
120K96.3Very high96Very high123 Ų12354.2 Ų54.254%0.53530%0.302SS..THydrogen-bonded Turntrans-61.1-21175.370.8-177.2-179.6-173.60113.4V200K120-V200 HydrophobicContact CB-CB 4.32Å; K120-V200 HydrophobicContact CB-CG1 3.94Å
121N96.5Very high95.8Very high124 Ų12454 Ų5466%0.66330%0.301SS*.THydrogen-bonded Turntrans-106.618.1178.9-54.4-54.5000112.4D119D119-N121 PolarHBondContact O-N 3.08Å; D119-N121 VanDerWaalsContact O-N 3.1Å; D119-N121 PolarHBondContact OD1-N 2.66Å
122D97.2Very high95.6Very high25 Ų2552.6 Ų52.613%0.13429%0.293CS..  trans-58.3130.7-179.6-170.2-71.4000111.1D119 G124 F125 P168 E169D119-D122 HydrophobicContact CB-CB 4.12Å; D119-D122 VanDerWaalsContact O-CB 3.3Å; D119-D122 WeakPolarHBondContact O-CB 3.14Å; D119-D122 PolarHBondContact O-N 3.33Å; D122-G124 PolarHBondContact O-N 2.9Å; D122-G124 VanDerWaalsContact O-N 3.12Å; D122-G124 WeakPolarHBondContact OD1-CA 3.45Å; D122-G124 PolarHBondContact OD1-N 3.05Å; D122-F125 HydrophobicContact CB-CD2 3.77Å; D122-F125 HydrophobicContact CB-CE2 3.82Å; D122-F125 WeakPolarHBondContact O-CD2 3.27Å; D122-F125 PolarHBondContact O-N 3.28Å; D122-F125 VanDerWaalsContact O-N 3.09Å; D122-P168 HydrophobicContact CB-CB 3.69Å; D122-P168 VanDerWaalsContact CG-CB 3.48Å; D122-P168 WeakPolarHBondContact OD1-CA 3.47Å; D122-E169 PolarHBondContact OD2-N 2.94Å
123P95.4Very high95.3Very high93 Ų9351.8 Ų51.860%0.60429%0.289SS*.G310 helixtrans-58-25.1179-25.134.5000114.4F125 A126 H127P123-F125 PolarHBondContact O-N 3.29Å; P123-A126 PolarHBondContact O-N 2.83Å; P123-H127 PolarHBondContact O-N 2.91Å; P123-H127 VanDerWaalsContact O-N 3.08Å
124G93.5Very high94.8Very high12 Ų1249 Ų4912%0.12428%0.275CS..G310 helixtrans-63.1-16.9176.400000114.2D122 H127 A166D122-G124 PolarHBondContact O-N 2.9Å; D122-G124 VanDerWaalsContact O-N 3.12Å; D122-G124 WeakPolarHBondContact OD1-CA 3.45Å; D122-G124 PolarHBondContact OD1-N 3.05Å; G124-H127 CarbonylContact O-C 3.57Å; G124-A166 WeakPolarHBondContact O-CA 3.26Å; G124-A166 WeakPolarHBondContact O-CB 3.45Å
125F95.2Very high94.3Very high64 Ų6449.9 Ų49.928%0.28128%0.278SS..G310 helixtrans-71.9-35.9168.6-71.3-70000112.6V118 D119 D122 P123 A166 P168 V210 A212V118-F125 HydrophobicContact CG2-CE2 4.44Å; V118-F125 HydrophobicContact CG2-CZ 4.11Å; D119-F125 VanDerWaalsContact O-CE2 3.25Å; D119-F125 WeakPolarHBondContact O-CE2 3.4Å; D122-F125 HydrophobicContact CB-CD2 3.77Å; D122-F125 HydrophobicContact CB-CE2 3.82Å; D122-F125 WeakPolarHBondContact O-CD2 3.27Å; D122-F125 PolarHBondContact O-N 3.28Å; D122-F125 VanDerWaalsContact O-N 3.09Å; P123-F125 PolarHBondContact O-N 3.29Å; F125-A166 HydrophobicContact CD1-CB 3.91Å; F125-A166 HydrophobicContact CE1-CB 4.45Å; F125-P168 HydrophobicContact CD2-CB 4.41Å; F125-P168 HydrophobicContact CE1-CG 4.36Å; F125-P168 HydrophobicContact CE2-CB 3.78Å; F125-P168 HydrophobicContact CE2-CG 4.12Å; F125-P168 HydrophobicContact CZ-CB 3.98Å; F125-P168 HydrophobicContact CZ-CG 3.78Å; F125-V210 HydrophobicContact CE1-CB 4.23Å; F125-V210 HydrophobicContact CE1-CG2 4.05Å; F125-V210 HydrophobicContact CZ-CB 4.32Å; F125-V210 HydrophobicContact CZ-CG2 3.82Å; F125-A212 HydrophobicContact CE1-CB 3.9Å
126A93.5Very high94Very high73 Ų7348.6 Ų48.660%0.60327%0.272SS*.THydrogen-bonded Turntrans-84.1-19.6177.700000112.8P123P123-A126 PolarHBondContact O-N 2.83Å
127H91.3Very high93.8Very high129 Ų12951 Ų5160%0.59729%0.288SS*.SBendtrans-127.380.7-178.2-59.4-54.9000111.8P123 G124 T129P123-H127 PolarHBondContact O-N 2.91Å; P123-H127 VanDerWaalsContact O-N 3.08Å; G124-H127 CarbonylContact O-C 3.57Å; H127-T129 PolarHBondContact O-N 3.49Å
128P92Very high93.5Very high49 Ų4953.5 Ų53.532%0.31830%0.303SS..  trans-58.3125.9176-27.137.3000112.6V164 V165P128-V164 HydrophobicContact CB-CB 4.41Å; P128-V164 HydrophobicContact CB-CG2 3.95Å; P128-V165 WeakPolarHBondContact CA-O 3.25Å
129T90.6Very high93.4Very high94 Ų9456.7 Ų56.758%0.57733%0.325SS*.  trans-129.9-15.6-178.553.40000113.6H127 P131 V165H127-T129 PolarHBondContact O-N 3.49Å; T129-P131 WeakPolarHBondContact O-CD 3.23Å; T129-V165 PolarHBondContact N-O 3.2Å
130K92.2Very high93.3Very high33 Ų3358.6 Ų58.614%0.14333%0.332CS..EExtended strand (participates in β ladder)trans-87.5112.8-171.5-175.365.5168.5-179.10111.7I132 V164 V165 V213 D215K130-I132 HydrophobicContact CG-CG2 4.43Å; K130-V164 CarbonylContact O-C 3.53Å; K130-V164 VanDerWaalsContact O-CA 3.24Å; K130-V164 WeakPolarHBondContact O-CA 3.32Å; K130-V165 HydrophobicContact CB-CG2 4.22Å; K130-V165 PolarHBondContact N-O 3.28Å; K130-V165 VanDerWaalsContact N-O 3.12Å; K130-V165 PolarHBondContact O-N 2.9Å; K130-V213 HydrophobicContact CG-CB 4.15Å; K130-V213 HydrophobicContact CG-CG1 4.07Å; K130-D215 VanDerWaalsContact NZ-CG 3.32Å; K130-D215 IonicContact NZ-OD1 3.82Å; K130-D215 IonicContact NZ-OD2 2.67Å; K130-D215 PolarHBondContact NZ-OD2 3.01Å
131P92.5Very high93.2Very high30 Ų3054.6 Ų54.620%0.19531%0.314CS..EExtended strand (participates in β ladder)trans-74131.5176.730.5-35.9000111.7T129 V154 R162 R163 V164T129-P131 WeakPolarHBondContact O-CD 3.23Å; P131-V154 HydrophobicContact CB-CG1 4.06Å; P131-R162 HydrophobicContact CB-CB 3.82Å; P131-R162 PolarHBondContact O-NH2 2.78Å; P131-R162 VanDerWaalsContact O-NH2 3.12Å; P131-R163 CarbonylContact C-O 3.57Å; P131-R163 WeakPolarHBondContact CA-O 3.48Å; P131-V164 HydrophobicContact CB-CG1 4.4Å
132I93.9Very high93.2Very high4 Ų452 Ų522%0.02130%0.3CS..EExtended strand (participates in β ladder)trans-125.8155178.861.4163.9000112.1G54 V57 L61 K130 R162 R163 V165 V213G54-I132 CarbonylContact O-C 3.52Å; G54-I132 VanDerWaalsContact O-CA 3.24Å; G54-I132 WeakPolarHBondContact O-CA 3.14Å; V57-I132 HydrophobicContact CG1-CB 4.13Å; V57-I132 HydrophobicContact CG1-CG2 3.69Å; L61-I132 HydrophobicContact CD2-CD1 3.9Å; K130-I132 HydrophobicContact CG-CG2 4.43Å; I132-R162 VanDerWaalsContact C-NH2 3.26Å; I132-R162 VanDerWaalsContact CA-NH2 3.33Å; I132-R163 HydrophobicContact CG1-CB 4.48Å; I132-R163 WeakPolarHBondContact CG1-O 3.25Å; I132-R163 PolarHBondContact N-O 2.89Å; I132-V165 HydrophobicContact CD1-CB 4.44Å; I132-V165 HydrophobicContact CD1-CG1 3.42Å; I132-V165 VanDerWaalsContact CD1-CG1 3.42Å; I132-V165 HydrophobicContact CD1-CG2 4.15Å; I132-V165 HydrophobicContact CG1-CG1 3.99Å; I132-V165 HydrophobicContact CG1-CG2 4.34Å; I132-V165 HydrophobicContact CG2-CG2 3.75Å; I132-V213 HydrophobicContact CG2-CG2 4.21Å
133G92.7Very high93.1Very high6 Ų657 Ų576%0.06232%0.323CS..EExtended strand (participates in β ladder)trans79.2-164.517200000114.4G54 P55 R162G54-G133 PolarHBondContact O-N 3.42Å; P55-G133 VanDerWaalsContact O-CA 3.31Å; P55-G133 WeakPolarHBondContact O-CA 3.4Å; G133-R162 PolarHBondContact O-NE 3.42Å; G133-R162 PolarHBondContact O-NH2 3.18Å; G133-R162 VanDerWaalsContact O-NH2 3.08Å
134A87.8Confident93Very high19 Ų1953.7 Ų53.716%0.15730%0.3CS..EExtended strand (participates in β ladder)trans-68.2165.9178.600000112.8L59L59-A134 HydrophobicContact CD2-CB 4.14Å
135F89.1Confident93Very high17 Ų1756.1 Ų56.18%0.07531%0.308CS..EExtended strand (participates in β ladder)trans-87.7130.7170.4-54.1-94.5000110.4N18 D156 R159 Y161 R162N18-F135 PolarHBondContact ND2-O 2.76Å; N18-F135 WeakPolarHBondContact OD1-CD2 3.43Å; N18-F135 PolarHBondContact OD1-N 3.31Å; F135-D156 HydrophobicContact CD1-CB 4.26Å; F135-D156 HydrophobicContact CE1-CB 3.87Å; F135-R159 VanDerWaalsContact CB-O 3.24Å; F135-R159 WeakPolarHBondContact CB-O 3.41Å; F135-R159 HydrophobicContact CD1-CB 3.49Å; F135-R159 VanDerWaalsContact CD1-CB 3.49Å; F135-R159 HydrophobicContact CE1-CB 3.52Å; F135-R159 HydrophobicContact CE1-CG 4.39Å; F135-R159 HydrophobicContact CG-CB 4.09Å; F135-R159 HydrophobicContact CZ-CB 4.19Å; F135-Y161 CarbonylContact C-O 3.58Å; F135-Y161 WeakPolarHBondContact CA-O 3.42Å; F135-R162 HydrophobicContact CD1-CG 3.8Å; F135-R162 HydrophobicContact CE1-CG 4.2Å; F135-R162 HydrophobicContact CG-CG 4.34Å
136F92.2Very high93Very high36 Ų3661.2 Ų61.216%0.15833%0.33CS..EExtended strand (participates in β ladder)trans-102.8141.7177.5-58.7-63.2000110.9Q140 R141 L144 F153 Y161F136-Q140 HydrophobicContact CB-CB 3.97Å; F136-Q140 HydrophobicContact CD1-CB 4.19Å; F136-Q140 HydrophobicContact CG-CB 4.49Å; F136-R141 HydrophobicContact CB-CB 4.46Å; F136-L144 HydrophobicContact CD1-CD1 3.77Å; F136-L144 HydrophobicContact CD2-CD1 4.11Å; F136-L144 HydrophobicContact CE1-CD1 3.55Å; F136-L144 HydrophobicContact CE2-CD1 3.9Å; F136-L144 HydrophobicContact CG-CD1 4.05Å; F136-L144 HydrophobicContact CZ-CD1 3.62Å; F136-F153 HydrophobicContact CD2-CD1 4.3Å; F136-F153 AromaticContact CD2-CE1 3.91Å; F136-F153 HydrophobicContact CD2-CE1 3.91Å; F136-F153 HydrophobicContact CE2-CE1 4.1Å; F136-Y161 WeakPolarHBondContact CD2-O 3.26Å; F136-Y161 PolarHBondContact N-O 3.08Å; F136-Y161 PolarHBondContact O-N 2.95Å
137S93.6Very high93Very high50 Ų5061.3 Ų61.335%0.3533%0.33SS..PPolyproline II helixtrans-66.1167.1164.167.20000111.1S139 Q140 R141S137-S139 VanDerWaalsContact C-N 3.27Å; S137-S139 PolarHBondContact O-N 3.39Å; S137-S139 PolarHBondContact OG-OG 3.43Å; S137-Q140 PolarHBondContact O-N 2.89Å; S137-Q140 WeakPolarHBondContact OG-CG 2.99Å; S137-Q140 PolarHBondContact OG-N 2.97Å; S137-Q140 PolarHBondContact OG-OE1 2.95Å; S137-R141 WeakPolarHBondContact O-CB 3.43Å; S137-R141 PolarHBondContact O-N 3.38Å
138D93.4Very high93.1Very high86 Ų8657 Ų5746%0.4631%0.312SS..Hα-helixtrans-52.8-45.7172-72.3-62.3000112R141 D142 Y161D138-R141 PolarHBondContact O-N 3.46Å; D138-R141 PolarHBondContact O-NH2 2.8Å; D138-R141 IonicContact OD1-CZ 2.79Å; D138-R141 IonicContact OD1-NH1 3.31Å; D138-R141 PolarHBondContact OD1-NH1 3.02Å; D138-R141 IonicContact OD1-NH2 3.46Å; D138-R141 PolarHBondContact OD1-NH2 3.32Å; D138-D142 WeakPolarHBondContact O-CB 3.37Å; D138-D142 PolarHBondContact O-N 2.92Å; D138-Y161 WeakPolarHBondContact OD1-CE2 3.39Å; D138-Y161 PolarHBondContact OD1-OH 3.47Å
139S95.8Very high93.2Very high71 Ų7159.2 Ų59.250%0.49733%0.326SS..Hα-helixtrans-63.6-44.5179.758.20000112.8S137 D142 E143S137-S139 VanDerWaalsContact C-N 3.27Å; S137-S139 PolarHBondContact O-N 3.39Å; S137-S139 PolarHBondContact OG-OG 3.43Å; S139-D142 PolarHBondContact O-N 2.98Å; S139-E143 WeakPolarHBondContact O-CG 3.39Å; S139-E143 PolarHBondContact O-N 2.82Å
140Q94.8Very high93.2Very high92 Ų9262 Ų6243%0.4334%0.338SS..Hα-helixtrans-65.7-42.6178.7-73.3173.5-37.700111.5F136 S137 D142 E143 L144F136-Q140 HydrophobicContact CB-CB 3.97Å; F136-Q140 HydrophobicContact CD1-CB 4.19Å; F136-Q140 HydrophobicContact CG-CB 4.49Å; S137-Q140 PolarHBondContact O-N 2.89Å; S137-Q140 WeakPolarHBondContact OG-CG 2.99Å; S137-Q140 PolarHBondContact OG-N 2.97Å; S137-Q140 PolarHBondContact OG-OE1 2.95Å; Q140-D142 VanDerWaalsContact C-N 3.34Å; Q140-D142 PolarHBondContact O-N 2.96Å; Q140-E143 PolarHBondContact O-N 2.89Å; Q140-L144 WeakPolarHBondContact O-CB 3.41Å; Q140-L144 VanDerWaalsContact O-CG 3.28Å; Q140-L144 WeakPolarHBondContact O-CG 3.47Å; Q140-L144 PolarHBondContact O-N 3.39Å
141R94.9Very high93.2Very high40 Ų4062 Ų6215%0.15134%0.337CS..Hα-helixtrans-57.3-48.6173.3175.2-146.957.1-136.3-9.6110.3F136 S137 D138 E143 L144 Q145 F153 Y161F136-R141 HydrophobicContact CB-CB 4.46Å; S137-R141 WeakPolarHBondContact O-CB 3.43Å; S137-R141 PolarHBondContact O-N 3.38Å; D138-R141 PolarHBondContact O-N 3.46Å; D138-R141 PolarHBondContact O-NH2 2.8Å; D138-R141 IonicContact OD1-CZ 2.79Å; D138-R141 IonicContact OD1-NH1 3.31Å; D138-R141 PolarHBondContact OD1-NH1 3.02Å; D138-R141 IonicContact OD1-NH2 3.46Å; D138-R141 PolarHBondContact OD1-NH2 3.32Å; R141-E143 VanDerWaalsContact C-N 3.34Å; R141-E143 PolarHBondContact O-N 2.82Å; R141-L144 PolarHBondContact O-N 3.07Å; R141-Q145 VanDerWaalsContact O-CB 3.28Å; R141-Q145 WeakPolarHBondContact O-CB 3.2Å; R141-Q145 PolarHBondContact O-N 3.28Å; R141-F153 HydrophobicContact CG-CB 4.08Å; R141-F153 HydrophobicContact CG-CD1 3.97Å; R141-F153 HydrophobicContact CG-CD2 3.97Å; R141-F153 HydrophobicContact CG-CE1 4.35Å; R141-F153 HydrophobicContact CG-CE2 4.36Å; R141-F153 HydrophobicContact CG-CG 3.75Å; R141-Y161 HydrophobicContact CB-CG 4.46Å; R141-Y161 HydrophobicContact CG-CG 4.38Å; R141-Y161 VanDerWaalsContact NH1-CE1 3.3Å; R141-Y161 PolarHBondContact NH1-OH 3.43Å
142D95.1Very high93.3Very high68 Ų6863.6 Ų63.636%0.36435%0.348SS..Hα-helixtrans-64.1-38.5-176.8-69.6-15.5000112.7D138 S139 Q140 K146D138-D142 WeakPolarHBondContact O-CB 3.37Å; D138-D142 PolarHBondContact O-N 2.92Å; S139-D142 PolarHBondContact O-N 2.98Å; Q140-D142 VanDerWaalsContact C-N 3.34Å; Q140-D142 PolarHBondContact O-N 2.96Å; D142-K146 VanDerWaalsContact O-CG 3.24Å; D142-K146 WeakPolarHBondContact O-CG 3.41Å; D142-K146 PolarHBondContact O-N 2.96Å; D142-K146 VanDerWaalsContact O-N 3.09Å
143E95.4Very high93.3Very high131 Ų13165.1 Ų65.161%0.61235%0.354SS*.Hα-helixtrans-64.6-46.8173.4-73.5174.8-169.800111.6S139 Q140 R141 Q145 K146 A147S139-E143 WeakPolarHBondContact O-CG 3.39Å; S139-E143 PolarHBondContact O-N 2.82Å; Q140-E143 PolarHBondContact O-N 2.89Å; R141-E143 VanDerWaalsContact C-N 3.34Å; R141-E143 PolarHBondContact O-N 2.82Å; E143-Q145 PolarHBondContact O-N 3.01Å; E143-K146 PolarHBondContact O-N 2.81Å; E143-A147 PolarHBondContact O-N 2.77Å; E143-A147 VanDerWaalsContact O-N 3.08Å
144L93.1Very high93.3Very high24 Ų2467.8 Ų67.813%0.12637%0.37CS..Hα-helixtrans-65.3-38.6178.6-72.1171.3000112.3F136 Q140 R141 A147 N148 W151 F153F136-L144 HydrophobicContact CD1-CD1 3.77Å; F136-L144 HydrophobicContact CD2-CD1 4.11Å; F136-L144 HydrophobicContact CE1-CD1 3.55Å; F136-L144 HydrophobicContact CE2-CD1 3.9Å; F136-L144 HydrophobicContact CG-CD1 4.05Å; F136-L144 HydrophobicContact CZ-CD1 3.62Å; Q140-L144 WeakPolarHBondContact O-CB 3.41Å; Q140-L144 VanDerWaalsContact O-CG 3.28Å; Q140-L144 WeakPolarHBondContact O-CG 3.47Å; Q140-L144 PolarHBondContact O-N 3.39Å; R141-L144 PolarHBondContact O-N 3.07Å; L144-A147 PolarHBondContact O-N 2.71Å; L144-N148 WeakPolarHBondContact O-CB 3.44Å; L144-N148 PolarHBondContact O-N 3.33Å; L144-N148 PolarHBondContact O-ND2 3.01Å; L144-N148 VanDerWaalsContact O-ND2 3.1Å; L144-W151 HydrophobicContact CB-CE3 4.48Å; L144-W151 HydrophobicContact CB-CZ3 4.37Å; L144-W151 HydrophobicContact CD2-CZ3 4.09Å; L144-F153 HydrophobicContact CB-CZ 3.86Å
145Q94.8Very high93.3Very high62 Ų6270.9 Ų70.929%0.2938%0.381SS..Hα-helixtrans-65.4-38.8177-174.370.573.900111.6R141 E143 N148 P149 W151 F153R141-Q145 VanDerWaalsContact O-CB 3.28Å; R141-Q145 WeakPolarHBondContact O-CB 3.2Å; R141-Q145 PolarHBondContact O-N 3.28Å; E143-Q145 PolarHBondContact O-N 3.01Å; Q145-N148 PolarHBondContact NE2-O 2.84Å; Q145-N148 CarbonylContact O-C 3.2Å; Q145-N148 PolarHBondContact O-N 3.03Å; Q145-P149 PolarHBondContact NE2-O 2.99Å; Q145-P149 VanDerWaalsContact NE2-O 3.12Å; Q145-P149 WeakPolarHBondContact O-CA 3.4Å; Q145-W151 PolarHBondContact NE2-O 3.37Å; Q145-W151 PolarHBondContact OE1-O 2.88Å; Q145-W151 VanDerWaalsContact OE1-O 3.09Å; Q145-F153 HydrophobicContact CB-CE2 4.17Å; Q145-F153 VanDerWaalsContact OE1-CD2 3.25Å
146K95.1Very high93Very high172 Ų17271.3 Ų71.375%0.74838%0.384SS*.Hα-helixtrans-65.2-40.8174.8-75169.4-173.3172.20111.8D142 E143D142-K146 VanDerWaalsContact O-CG 3.24Å; D142-K146 WeakPolarHBondContact O-CG 3.41Å; D142-K146 PolarHBondContact O-N 2.96Å; D142-K146 VanDerWaalsContact O-N 3.09Å; E143-K146 PolarHBondContact O-N 2.81Å
147A92.8Very high92.1Very high74 Ų7473.4 Ų73.461%0.61241%0.407SS*.Hα-helixtrans-73.7-29.8177.700000112.7E143 L144E143-A147 PolarHBondContact O-N 2.77Å; E143-A147 VanDerWaalsContact O-N 3.08Å; L144-A147 PolarHBondContact O-N 2.71Å
148N93.3Very high91.4Very high39 Ų3974.3 Ų74.321%0.20943%0.425CS..  trans-131.579.2-176.2-55.3-87.1000110.4L144 Q145 D150 W151L144-N148 WeakPolarHBondContact O-CB 3.44Å; L144-N148 PolarHBondContact O-N 3.33Å; L144-N148 PolarHBondContact O-ND2 3.01Å; L144-N148 VanDerWaalsContact O-ND2 3.1Å; Q145-N148 PolarHBondContact NE2-O 2.84Å; Q145-N148 CarbonylContact O-C 3.2Å; Q145-N148 PolarHBondContact O-N 3.03Å; N148-D150 PolarHBondContact O-N 3.25Å; N148-D150 VanDerWaalsContact O-N 3.11Å; N148-W151 HydrophobicContact CB-CB 4.15Å; N148-W151 HydrophobicContact CB-CD2 3.4Å; N148-W151 HydrophobicContact CB-CE3 3.92Å; N148-W151 HydrophobicContact CB-CG 3.52Å; N148-W151 HydrophobicContact CB-CZ2 4.15Å; N148-W151 HydrophobicContact CB-CZ3 4.49Å; N148-W151 VanDerWaalsContact CG-CE2 3.49Å; N148-W151 WeakPolarHBondContact O-CB 3.32Å; N148-W151 PolarHBondContact O-N 3Å; N148-W151 WeakPolarHBondContact OD1-CZ2 3.3Å
149P93Very high90.7Very high95 Ų9574.7 Ų74.762%0.61742%0.42SS*.THydrogen-bonded Turntrans-58.4-26.8-174.9-27.336.6000114.7Q145 W151Q145-P149 PolarHBondContact NE2-O 2.99Å; Q145-P149 VanDerWaalsContact NE2-O 3.12Å; Q145-P149 WeakPolarHBondContact O-CA 3.4Å; P149-W151 VanDerWaalsContact C-N 3.35Å
150D91.2Very high90.3Very high154 Ų15472 Ų7282%0.82440%0.404SS*.THydrogen-bonded Turntrans-85.3-6.7-178.4-57.2-39.3000113.4N148N148-D150 PolarHBondContact O-N 3.25Å; N148-D150 VanDerWaalsContact O-N 3.11Å
151W93.5Very high90.2Very high32 Ų3270.6 Ų70.612%0.12140%0.395CS..  trans-74.9140.3176.1-70.910.6000110.6E65 L144 Q145 N148 P149 F153 R163E65-W151 VanDerWaalsContact OE1-CZ2 3.31Å; E65-W151 WeakPolarHBondContact OE1-CZ2 3.35Å; E65-W151 VanDerWaalsContact OE2-CH2 3.27Å; E65-W151 WeakPolarHBondContact OE2-CH2 3.41Å; L144-W151 HydrophobicContact CB-CE3 4.48Å; L144-W151 HydrophobicContact CB-CZ3 4.37Å; L144-W151 HydrophobicContact CD2-CZ3 4.09Å; Q145-W151 PolarHBondContact NE2-O 3.37Å; Q145-W151 PolarHBondContact OE1-O 2.88Å; Q145-W151 VanDerWaalsContact OE1-O 3.09Å; N148-W151 HydrophobicContact CB-CB 4.15Å; N148-W151 HydrophobicContact CB-CD2 3.4Å; N148-W151 HydrophobicContact CB-CE3 3.92Å; N148-W151 HydrophobicContact CB-CG 3.52Å; N148-W151 HydrophobicContact CB-CZ2 4.15Å; N148-W151 HydrophobicContact CB-CZ3 4.49Å; N148-W151 VanDerWaalsContact CG-CE2 3.49Å; N148-W151 WeakPolarHBondContact O-CB 3.32Å; N148-W151 PolarHBondContact O-N 3Å; N148-W151 WeakPolarHBondContact OD1-CZ2 3.3Å; P149-W151 VanDerWaalsContact C-N 3.35Å; W151-F153 HydrophobicContact CB-CE2 3.86Å; W151-F153 HydrophobicContact CB-CZ 4.28Å; W151-F153 AromaticContact CE3-CZ 3.86Å; W151-F153 HydrophobicContact CE3-CZ 3.86Å; W151-R163 VanDerWaalsContact CE2-CZ 3.48Å; W151-R163 VanDerWaalsContact CE2-NH1 3.34Å
152C93.3Very high90.2Very high63 Ų6369 Ų6943%0.42639%0.389SS..EExtended strand (participates in β ladder)trans-109.1145.3174-67.60000109.4R163 V164C152-R163 CarbonylContact O-C 3.59Å; C152-R163 WeakPolarHBondContact O-CA 3.09Å; C152-V164 HydrophobicContact CB-CG2 3.37Å; C152-V164 PolarHBondContact O-N 3.35Å
153F94.5Very high90.1Very high36 Ų3668 Ų6816%0.15838%0.38CS..EExtended strand (participates in β ladder)trans-129.3148.7179.3-63.2-96.4000111.6F136 R141 L144 Q145 W151 R162 R163F136-F153 HydrophobicContact CD2-CD1 4.3Å; F136-F153 AromaticContact CD2-CE1 3.91Å; F136-F153 HydrophobicContact CD2-CE1 3.91Å; F136-F153 HydrophobicContact CE2-CE1 4.1Å; R141-F153 HydrophobicContact CG-CB 4.08Å; R141-F153 HydrophobicContact CG-CD1 3.97Å; R141-F153 HydrophobicContact CG-CD2 3.97Å; R141-F153 HydrophobicContact CG-CE1 4.35Å; R141-F153 HydrophobicContact CG-CE2 4.36Å; R141-F153 HydrophobicContact CG-CG 3.75Å; L144-F153 HydrophobicContact CB-CZ 3.86Å; Q145-F153 HydrophobicContact CB-CE2 4.17Å; Q145-F153 VanDerWaalsContact OE1-CD2 3.25Å; W151-F153 HydrophobicContact CB-CE2 3.86Å; W151-F153 HydrophobicContact CB-CZ 4.28Å; W151-F153 AromaticContact CE3-CZ 3.86Å; W151-F153 HydrophobicContact CE3-CZ 3.86Å; F153-R162 CarbonylContact C-O 3.51Å; F153-R162 VanDerWaalsContact CA-O 3.24Å; F153-R162 WeakPolarHBondContact CA-O 3.35Å; F153-R163 HydrophobicContact CD1-CB 4.42Å; F153-R163 HydrophobicContact CE1-CB 4.26Å
154V92.4Very high90.1Very high63 Ų6362.4 Ų62.438%0.38236%0.355SS..EExtended strand (participates in β ladder)trans-130.2145.1172.974.50000109.9P131 Y161 R162 V164P131-V154 HydrophobicContact CB-CG1 4.06Å; V154-Y161 CarbonylContact O-C 3.6Å; V154-Y161 VanDerWaalsContact O-CA 3.27Å; V154-Y161 WeakPolarHBondContact O-CA 3.27Å; V154-R162 PolarHBondContact N-O 3.45Å; V154-R162 PolarHBondContact O-N 2.72Å; V154-V164 HydrophobicContact CB-CG1 3.78Å; V154-V164 HydrophobicContact CG1-CG1 3.38Å
155E89Confident90.2Very high84 Ų8461.8 Ų61.839%0.39335%0.352SS..EExtended strand (participates in β ladder)trans-71.8133.4168.5-159.7-67.5131.100109.1A157 G158 R159 G160 Y161E155-A157 PolarHBondContact OE2-N 2.64Å; E155-A157 VanDerWaalsContact OE2-N 3.07Å; E155-G158 VanDerWaalsContact CD-N 3.35Å; E155-G158 WeakPolarHBondContact OE1-CA 3.32Å; E155-G158 PolarHBondContact OE1-N 2.87Å; E155-G158 PolarHBondContact OE2-N 2.7Å; E155-R159 PolarHBondContact OE1-N 3.3Å; E155-G160 PolarHBondContact OE1-N 3.45Å; E155-Y161 HydrophobicContact CB-CD1 4.25Å; E155-Y161 HydrophobicContact CB-CE1 3.96Å; E155-Y161 HydrophobicContact CG-CE1 4.36Å
156D80.9Confident90.3Very high26 Ų2659.4 Ų59.414%0.13934%0.343CS..  trans-118.181.1-176.3-172.3-7.9000111.5F135 G158 R159 G160 R162F135-D156 HydrophobicContact CD1-CB 4.26Å; F135-D156 HydrophobicContact CE1-CB 3.87Å; D156-G158 PolarHBondContact O-N 3.35Å; D156-R159 VanDerWaalsContact CG-NH2 3.35Å; D156-R159 WeakPolarHBondContact O-CB 3.43Å; D156-R159 PolarHBondContact O-N 2.94Å; D156-R159 PolarHBondContact O-NE 2.9Å; D156-R159 IonicContact OD1-CZ 2.77Å; D156-R159 IonicContact OD1-NH2 2.68Å; D156-R159 PolarHBondContact OD1-NH2 3.46Å; D156-R159 IonicContact OD2-NH2 3.42Å; D156-R159 PolarHBondContact OD2-NH2 3.31Å; D156-G160 PolarHBondContact N-O 3.45Å; D156-R162 HydrophobicContact CB-CG 4.25Å; D156-R162 WeakPolarHBondContact OD2-CD 3.48Å; D156-R162 IonicContact OD2-CZ 2.64Å; D156-R162 IonicContact OD2-NE 2.62Å; D156-R162 IonicContact OD2-NH1 2.69Å; D156-R162 PolarHBondContact OD2-NH1 2.67Å
157A74.6Confident90.4Very high79 Ų7952.1 Ų52.165%0.65331%0.313SS*.THydrogen-bonded Turntrans61.543.5166.500000114.5E155 R159E155-A157 PolarHBondContact OE2-N 2.64Å; E155-A157 VanDerWaalsContact OE2-N 3.07Å; A157-R159 PolarHBondContact O-N 2.69Å
158G77.7Confident90.5Very high69 Ų6948.7 Ų48.771%0.71129%0.285SS*.THydrogen-bonded Turntrans75.74.5179.900000114.4E155 D156E155-G158 VanDerWaalsContact CD-N 3.35Å; E155-G158 WeakPolarHBondContact OE1-CA 3.32Å; E155-G158 PolarHBondContact OE1-N 2.87Å; E155-G158 PolarHBondContact OE2-N 2.7Å; D156-G158 PolarHBondContact O-N 3.35Å
159R80Confident90.7Very high94 Ų9453.4 Ų53.436%0.35531%0.306SS..SBendtrans-94.1-3.7-178.4-62.6175.3-70176.6-0.2112.9F135 E155 D156 A157F135-R159 VanDerWaalsContact CB-O 3.24Å; F135-R159 WeakPolarHBondContact CB-O 3.41Å; F135-R159 HydrophobicContact CD1-CB 3.49Å; F135-R159 VanDerWaalsContact CD1-CB 3.49Å; F135-R159 HydrophobicContact CE1-CB 3.52Å; F135-R159 HydrophobicContact CE1-CG 4.39Å; F135-R159 HydrophobicContact CG-CB 4.09Å; F135-R159 HydrophobicContact CZ-CB 4.19Å; E155-R159 PolarHBondContact OE1-N 3.3Å; D156-R159 VanDerWaalsContact CG-NH2 3.35Å; D156-R159 WeakPolarHBondContact O-CB 3.43Å; D156-R159 PolarHBondContact O-N 2.94Å; D156-R159 PolarHBondContact O-NE 2.9Å; D156-R159 IonicContact OD1-CZ 2.77Å; D156-R159 IonicContact OD1-NH2 2.68Å; D156-R159 PolarHBondContact OD1-NH2 3.46Å; D156-R159 IonicContact OD2-NH2 3.42Å; D156-R159 PolarHBondContact OD2-NH2 3.31Å; A157-R159 PolarHBondContact O-N 2.69Å
160G87.3Confident90.9Very high16 Ų1649.5 Ų49.517%0.16528%0.281CS..  trans111.8-166.9-177.700000112.3E155 D156E155-G160 PolarHBondContact OE1-N 3.45Å; D156-G160 PolarHBondContact N-O 3.45Å
161Y93.1Very high91.1Very high61 Ų6147 Ų4724%0.23926%0.262CS..EExtended strand (participates in β ladder)trans-98.4146.9-172.5-65.4-95.9000111.8F135 F136 D138 R141 V154 E155F135-Y161 CarbonylContact C-O 3.58Å; F135-Y161 WeakPolarHBondContact CA-O 3.42Å; F136-Y161 WeakPolarHBondContact CD2-O 3.26Å; F136-Y161 PolarHBondContact N-O 3.08Å; F136-Y161 PolarHBondContact O-N 2.95Å; D138-Y161 WeakPolarHBondContact OD1-CE2 3.39Å; D138-Y161 PolarHBondContact OD1-OH 3.47Å; R141-Y161 HydrophobicContact CB-CG 4.46Å; R141-Y161 HydrophobicContact CG-CG 4.38Å; R141-Y161 VanDerWaalsContact NH1-CE1 3.3Å; R141-Y161 PolarHBondContact NH1-OH 3.43Å; V154-Y161 CarbonylContact O-C 3.6Å; V154-Y161 VanDerWaalsContact O-CA 3.27Å; V154-Y161 WeakPolarHBondContact O-CA 3.27Å; E155-Y161 HydrophobicContact CB-CD1 4.25Å; E155-Y161 HydrophobicContact CB-CE1 3.96Å; E155-Y161 HydrophobicContact CG-CE1 4.36Å
162R93.2Very high91.4Very high6 Ų649.9 Ų49.92%0.02327%0.273CS..EExtended strand (participates in β ladder)trans-131.9145.4175.4-62.318071.6-152.1-5.8110.1G54 P131 I132 G133 F135 F153 V154 D156G54-R162 PolarHBondContact O-NH2 3.46Å; P131-R162 HydrophobicContact CB-CB 3.82Å; P131-R162 PolarHBondContact O-NH2 2.78Å; P131-R162 VanDerWaalsContact O-NH2 3.12Å; I132-R162 VanDerWaalsContact C-NH2 3.26Å; I132-R162 VanDerWaalsContact CA-NH2 3.33Å; G133-R162 PolarHBondContact O-NE 3.42Å; G133-R162 PolarHBondContact O-NH2 3.18Å; G133-R162 VanDerWaalsContact O-NH2 3.08Å; F135-R162 HydrophobicContact CD1-CG 3.8Å; F135-R162 HydrophobicContact CE1-CG 4.2Å; F135-R162 HydrophobicContact CG-CG 4.34Å; F153-R162 CarbonylContact C-O 3.51Å; F153-R162 VanDerWaalsContact CA-O 3.24Å; F153-R162 WeakPolarHBondContact CA-O 3.35Å; V154-R162 PolarHBondContact N-O 3.45Å; V154-R162 PolarHBondContact O-N 2.72Å; D156-R162 HydrophobicContact CB-CG 4.25Å; D156-R162 WeakPolarHBondContact OD2-CD 3.48Å; D156-R162 IonicContact OD2-CZ 2.64Å; D156-R162 IonicContact OD2-NE 2.62Å; D156-R162 IonicContact OD2-NH1 2.69Å; D156-R162 PolarHBondContact OD2-NH1 2.67Å
163R95Very high91.6Very high49 Ų4947 Ų4719%0.18525%0.253CS..EExtended strand (participates in β ladder)trans-64.4135172.2178178.3173.3-173.3-2.3108.6E65 P131 I132 W151 C152 F153E65-R163 IonicContact OE1-CZ 3.68Å; E65-R163 IonicContact OE1-NH1 2.79Å; E65-R163 PolarHBondContact OE1-NH1 3.29Å; P131-R163 CarbonylContact C-O 3.57Å; P131-R163 WeakPolarHBondContact CA-O 3.48Å; I132-R163 HydrophobicContact CG1-CB 4.48Å; I132-R163 WeakPolarHBondContact CG1-O 3.25Å; I132-R163 PolarHBondContact N-O 2.89Å; W151-R163 VanDerWaalsContact CE2-CZ 3.48Å; W151-R163 VanDerWaalsContact CE2-NH1 3.34Å; C152-R163 CarbonylContact O-C 3.59Å; C152-R163 WeakPolarHBondContact O-CA 3.09Å; F153-R163 HydrophobicContact CD1-CB 4.42Å; F153-R163 HydrophobicContact CE1-CB 4.26Å
164V94.8Very high91.8Very high13 Ų1346.5 Ų46.58%0.07925%0.253CS..EExtended strand (participates in β ladder)trans-102.8144.1173-61.50000111.5P128 K130 P131 C152 V154P128-V164 HydrophobicContact CB-CB 4.41Å; P128-V164 HydrophobicContact CB-CG2 3.95Å; K130-V164 CarbonylContact O-C 3.53Å; K130-V164 VanDerWaalsContact O-CA 3.24Å; K130-V164 WeakPolarHBondContact O-CA 3.32Å; P131-V164 HydrophobicContact CB-CG1 4.4Å; C152-V164 HydrophobicContact CB-CG2 3.37Å; C152-V164 PolarHBondContact O-N 3.35Å; V154-V164 HydrophobicContact CB-CG1 3.78Å; V154-V164 HydrophobicContact CG1-CG1 3.38Å
165V95.8Very high92.1Very high11 Ų1145.2 Ų45.27%0.06724%0.243CC..EExtended strand (participates in β ladder)trans-126.2166.7175.7-63.80000110.8L78 P128 T129 K130 I132 V213L78-V165 HydrophobicContact CD2-CB 4.12Å; L78-V165 HydrophobicContact CD2-CG1 4.05Å; L78-V165 HydrophobicContact CD2-CG2 4.2Å; P128-V165 WeakPolarHBondContact CA-O 3.25Å; T129-V165 PolarHBondContact N-O 3.2Å; K130-V165 HydrophobicContact CB-CG2 4.22Å; K130-V165 PolarHBondContact N-O 3.28Å; K130-V165 VanDerWaalsContact N-O 3.12Å; K130-V165 PolarHBondContact O-N 2.9Å; I132-V165 HydrophobicContact CD1-CB 4.44Å; I132-V165 HydrophobicContact CD1-CG1 3.42Å; I132-V165 VanDerWaalsContact CD1-CG1 3.42Å; I132-V165 HydrophobicContact CD1-CG2 4.15Å; I132-V165 HydrophobicContact CG1-CG1 3.99Å; I132-V165 HydrophobicContact CG1-CG2 4.34Å; I132-V165 HydrophobicContact CG2-CG2 3.75Å; V165-V213 HydrophobicContact CG2-CB 4Å; V165-V213 HydrophobicContact CG2-CG2 3.9Å
166A96.4Very high92.5Very high11 Ų1141.5 Ų41.59%0.09123%0.227CC..  trans-55.9139.7175.600000111.2G124 F125 A212 V213G124-A166 WeakPolarHBondContact O-CA 3.26Å; G124-A166 WeakPolarHBondContact O-CB 3.45Å; F125-A166 HydrophobicContact CD1-CB 3.91Å; F125-A166 HydrophobicContact CE1-CB 4.45Å; A166-A212 HydrophobicContact CB-CB 3.94Å; A166-A212 WeakPolarHBondContact O-CB 3.38Å; A166-V213 PolarHBondContact O-N 3.29Å
167S96Very high93.4Very high19 Ų1944.4 Ų44.413%0.13325%0.247CC..  trans-137.977.3179.4-148.90000109.9V213 D215S167-V213 WeakPolarHBondContact CA-O 3.47Å; S167-V213 WeakPolarHBondContact CB-O 3.25Å; S167-V213 PolarHBondContact OG-O 3.11Å; S167-D215 PolarHBondContact OG-N 3.36Å
168P96.8Very high94.5Very high3 Ų342.9 Ų42.92%0.01924%0.235CC..PPolyproline II helixtrans-70160.2-179.732-37.8000111.6V118 D122 F125 A212 I214V118-P168 HydrophobicContact CB-CB 4.06Å; V118-P168 HydrophobicContact CB-CG 4.02Å; V118-P168 HydrophobicContact CG1-CB 4.24Å; V118-P168 HydrophobicContact CG1-CG 3.84Å; V118-P168 HydrophobicContact CG2-CB 4.41Å; V118-P168 HydrophobicContact CG2-CG 4.07Å; D122-P168 HydrophobicContact CB-CB 3.69Å; D122-P168 VanDerWaalsContact CG-CB 3.48Å; D122-P168 WeakPolarHBondContact OD1-CA 3.47Å; F125-P168 HydrophobicContact CD2-CB 4.41Å; F125-P168 HydrophobicContact CE1-CG 4.36Å; F125-P168 HydrophobicContact CE2-CB 3.78Å; F125-P168 HydrophobicContact CE2-CG 4.12Å; F125-P168 HydrophobicContact CZ-CB 3.98Å; F125-P168 HydrophobicContact CZ-CG 3.78Å; P168-A212 HydrophobicContact CG-CB 4.04Å; P168-I214 HydrophobicContact CG-CG1 4.46Å
169E95.5Very high95.5Very high137 Ų13739.6 Ų39.664%0.6420%0.201SC*.PPolyproline II helixtrans-74.7132178.1-166.4175.5175.300111D122D122-E169 PolarHBondContact OD2-N 2.94Å
170P97.3Very high96.4Very high14 Ų1438.5 Ų38.59%0.09120%0.199CC..EExtended strand (participates in β ladder)trans-73.7130.2177.330.5-34.5000111.2V116 I214 P218 L222V116-P170 HydrophobicContact CG1-CB 3.48Å; V116-P170 VanDerWaalsContact CG1-CB 3.48Å; P170-I214 HydrophobicContact CB-CG2 3.93Å; P170-I214 HydrophobicContact CG-CG2 3.99Å; P170-P218 HydrophobicContact CG-CB 3.83Å; P170-L222 HydrophobicContact CB-CD2 3.68Å; P170-L222 HydrophobicContact CG-CD2 4.31Å
171K97.3Very high96.9Very high102 Ų10240 Ų4044%0.44321%0.209SC..EExtended strand (participates in β ladder)trans-102.3-39.7-178.4-62.8-178.873.7171.90113E117 D119E117-K171 WeakPolarHBondContact O-CB 3.36Å; E117-K171 PolarHBondContact O-N 2.76Å; D119-K171 HydrophobicContact CB-CD 3.96Å; D119-K171 IonicContact OD2-NZ 2.74Å; D119-K171 PolarHBondContact OD2-NZ 3.19Å
172R97.9Very high97.1Very high92 Ų9239.3 Ų39.335%0.34721%0.209SC..EExtended strand (participates in β ladder)trans-155.9140.7-175.6178.4173.4167.9-104.9-8.6111.9V116 E117 Y207 E226V116-R172 CarbonylContact C-O 3.52Å; V116-R172 WeakPolarHBondContact CA-O 3.38Å; E117-R172 HydrophobicContact CB-CB 4.08Å; E117-R172 PolarHBondContact N-O 3.22Å; E117-R172 PolarHBondContact O-N 3.43Å; E117-R172 IonicContact OE2-NH1 3.6Å; E117-R172 PolarHBondContact OE2-NH1 3.47Å; R172-Y207 PolarHBondContact NH1-OH 2.85Å; R172-E226 WeakPolarHBondContact CA-OE1 3.11Å
173I98.5Very high97.3Very high1 Ų139.4 Ų39.41%0.00521%0.21CC..EExtended strand (participates in β ladder)trans-96.3118.8173-54.4-166.4000109.1T114 V116 E175 A176 A192 L222 L223 E226T114-I173 HydrophobicContact CG2-CG2 3.28Å; V116-I173 HydrophobicContact CG2-CG1 4.06Å; V116-I173 HydrophobicContact CG2-CG2 4.46Å; I173-E175 VanDerWaalsContact C-N 3.35Å; I173-E175 PolarHBondContact O-N 2.94Å; I173-A176 HydrophobicContact CB-CB 4.05Å; I173-A176 HydrophobicContact CG2-CB 4.24Å; I173-A176 PolarHBondContact O-N 2.92Å; I173-A192 HydrophobicContact CD1-CB 4.19Å; I173-L222 HydrophobicContact CD1-CD2 4.33Å; I173-L222 HydrophobicContact CD1-CG 4.22Å; I173-L222 HydrophobicContact CG1-CD2 3.66Å; I173-L222 HydrophobicContact CG1-CG 3.89Å; I173-L223 VanDerWaalsContact CD1-CA 3.49Å; I173-L223 HydrophobicContact CD1-CB 3.41Å; I173-L223 VanDerWaalsContact CD1-CB 3.41Å; I173-L223 HydrophobicContact CD1-CD1 3.77Å; I173-L223 HydrophobicContact CD1-CG 4.11Å; I173-L223 HydrophobicContact CG2-CD1 4.46Å; I173-E226 VanDerWaalsContact CB-OE2 3.3Å; I173-E226 WeakPolarHBondContact CB-OE2 3.09Å; I173-E226 PolarHBondContact N-OE2 3.36Å
174V98.5Very high97.2Very high26 Ų2643.7 Ų43.716%0.15823%0.232CC..THydrogen-bonded Turntrans-64.8-42.5-172.81780000110.7Q115 V199 Y207Q115-V174 HydrophobicContact CB-CB 4.09Å; Q115-V174 HydrophobicContact CB-CG2 3.96Å; Q115-V174 PolarHBondContact O-N 2.84Å; V174-V199 HydrophobicContact CG2-CG2 4.49Å; V174-Y207 HydrophobicContact CG1-CE2 4.02Å; V174-Y207 HydrophobicContact CG2-CD1 4.48Å; V174-Y207 HydrophobicContact CG2-CE1 3.86Å; V174-Y207 HydrophobicContact CG2-CE2 4.27Å
175E98.6Very high97.3Very high36 Ų3650.2 Ų50.217%0.16826%0.262CS..THydrogen-bonded Turntrans-91.59.6-177.2-6373.5-158.500114.2V112 T114 Q115 I173 P177 A178 I179V112-E175 HydrophobicContact CG1-CB 4.12Å; V112-E175 HydrophobicContact CG1-CG 4.45Å; T114-E175 WeakPolarHBondContact CA-OE2 3.36Å; Q115-E175 PolarHBondContact N-OE2 2.84Å; Q115-E175 PolarHBondContact NE2-OE1 3.38Å; I173-E175 VanDerWaalsContact C-N 3.35Å; I173-E175 PolarHBondContact O-N 2.94Å; E175-P177 VanDerWaalsContact C-CD 3.45Å; E175-P177 VanDerWaalsContact C-N 3.32Å; E175-A178 WeakPolarHBondContact O-CB 3.34Å; E175-A178 PolarHBondContact O-N 2.9Å; E175-I179 PolarHBondContact O-N 2.92Å
176A98.5Very high97.1Very high6 Ų651 Ų515%0.0527%0.272CS..Hα-helixtrans-52.4-40.9176.700000113.9I173 A178 I179 K180 E226 I227I173-A176 HydrophobicContact CB-CB 4.05Å; I173-A176 HydrophobicContact CG2-CB 4.24Å; I173-A176 PolarHBondContact O-N 2.92Å; A176-A178 VanDerWaalsContact C-N 3.32Å; A176-A178 PolarHBondContact O-N 2.75Å; A176-I179 PolarHBondContact O-N 2.97Å; A176-K180 WeakPolarHBondContact O-CB 3.44Å; A176-K180 PolarHBondContact O-N 2.81Å; A176-E226 HydrophobicContact CB-CB 3.94Å; A176-E226 WeakPolarHBondContact CB-OE2 3.35Å; A176-I227 HydrophobicContact CB-CG2 4.37Å
177P98.4Very high97.1Very high88 Ų8853.9 Ų53.957%0.57128%0.282SS*.Hα-helixtrans-61.2-37.1174.3-24.735.6000113.6E175 A181E175-P177 VanDerWaalsContact C-CD 3.45Å; E175-P177 VanDerWaalsContact C-N 3.32Å; P177-A181 WeakPolarHBondContact O-CB 3.29Å; P177-A181 PolarHBondContact O-N 2.83Å
178A98.6Very high97.2Very high47 Ų4753 Ų5339%0.38828%0.276SS..Hα-helixtrans-70.8-42.7178.100000111.2E175 A176 K180 A181 L182E175-A178 WeakPolarHBondContact O-CB 3.34Å; E175-A178 PolarHBondContact O-N 2.9Å; A176-A178 VanDerWaalsContact C-N 3.32Å; A176-A178 PolarHBondContact O-N 2.75Å; A178-K180 VanDerWaalsContact C-N 3.33Å; A178-K180 PolarHBondContact O-N 3.25Å; A178-A181 PolarHBondContact O-N 2.81Å; A178-L182 WeakPolarHBondContact O-CG 3.48Å; A178-L182 PolarHBondContact O-N 3.35Å
179I98.6Very high97.2Very high0 Ų052.8 Ų52.80%028%0.275CS..Hα-helixtrans-57.3-48.2173.6-68.7169.4000109.9V48 V112 E175 A176 A181 L182 I183 V189 L223 I227V48-I179 HydrophobicContact CG1-CG2 4.47Å; V48-I179 HydrophobicContact CG2-CG2 4.41Å; V112-I179 HydrophobicContact CB-CG1 4.35Å; V112-I179 HydrophobicContact CG1-CG1 4.36Å; V112-I179 HydrophobicContact CG2-CG1 4.38Å; E175-I179 PolarHBondContact O-N 2.92Å; A176-I179 PolarHBondContact O-N 2.97Å; I179-A181 VanDerWaalsContact C-N 3.35Å; I179-A181 PolarHBondContact O-N 3.19Å; I179-L182 PolarHBondContact O-N 3.1Å; I179-I183 HydrophobicContact CG2-CD1 3.77Å; I179-I183 WeakPolarHBondContact O-CD1 3.2Å; I179-I183 VanDerWaalsContact O-CG1 3.26Å; I179-I183 WeakPolarHBondContact O-CG1 3.39Å; I179-I183 PolarHBondContact O-N 2.85Å; I179-V189 HydrophobicContact CB-CG1 4.43Å; I179-V189 HydrophobicContact CG1-CG1 4.16Å; I179-V189 HydrophobicContact CG2-CB 4.44Å; I179-V189 HydrophobicContact CG2-CG1 3.99Å; I179-L223 HydrophobicContact CD1-CD1 3.74Å; I179-L223 HydrophobicContact CD1-CD2 4.48Å; I179-L223 HydrophobicContact CG2-CD1 4.32Å; I179-I227 HydrophobicContact CG2-CG2 4.24Å
180K97.9Very high97.4Very high71 Ų7146.4 Ų46.431%0.30925%0.245SC..Hα-helixtrans-58.1-44.6176.9-168.9176.4-174.2179.60112.3A176 A178 I183 Q184 I227 H228A176-K180 WeakPolarHBondContact O-CB 3.44Å; A176-K180 PolarHBondContact O-N 2.81Å; A178-K180 VanDerWaalsContact C-N 3.33Å; A178-K180 PolarHBondContact O-N 3.25Å; K180-I183 PolarHBondContact O-N 2.98Å; K180-Q184 VanDerWaalsContact O-CG 3.28Å; K180-Q184 WeakPolarHBondContact O-CG 3.35Å; K180-Q184 PolarHBondContact O-N 3.06Å; K180-Q184 VanDerWaalsContact O-N 3.09Å; K180-I227 HydrophobicContact CB-CG2 4.32Å; K180-H228 PolarHBondContact NZ-CD2 3.45Å; K180-H228 PolarHBondContact NZ-NE2 3.4Å
181A98.1Very high97.4Very high46 Ų4645.8 Ų45.838%0.3824%0.242SC..Hα-helixtrans-63-41.3177.900000112.3P177 A178 I179 Q184 Q185P177-A181 WeakPolarHBondContact O-CB 3.29Å; P177-A181 PolarHBondContact O-N 2.83Å; A178-A181 PolarHBondContact O-N 2.81Å; I179-A181 VanDerWaalsContact C-N 3.35Å; I179-A181 PolarHBondContact O-N 3.19Å; A181-Q184 PolarHBondContact O-N 3.48Å; A181-Q185 WeakPolarHBondContact O-CG 3.47Å; A181-Q185 PolarHBondContact O-N 3.36Å; A181-Q185 VanDerWaalsContact O-N 3.15Å
182L98Very high97.4Very high47 Ų4741 Ų4125%0.24622%0.221CC..Hα-helixtrans-65.7-41.1178.4-72166.5000112.2V110 V112 A178 I179 Q184 Q185 G186 F187 V189V110-L182 HydrophobicContact CG1-CD1 3.99Å; V110-L182 HydrophobicContact CG1-CD2 4.39Å; V112-L182 HydrophobicContact CG2-CD1 3.57Å; A178-L182 WeakPolarHBondContact O-CG 3.48Å; A178-L182 PolarHBondContact O-N 3.35Å; I179-L182 PolarHBondContact O-N 3.1Å; L182-Q184 VanDerWaalsContact C-N 3.33Å; L182-Q184 PolarHBondContact O-N 3.37Å; L182-Q185 CarbonylContact O-C 3.56Å; L182-Q185 PolarHBondContact O-N 3.04Å; L182-Q185 VanDerWaalsContact O-N 3.13Å; L182-G186 PolarHBondContact O-N 3.1Å; L182-F187 HydrophobicContact CB-CB 4.46Å; L182-F187 HydrophobicContact CD2-CD2 4.19Å; L182-F187 HydrophobicContact CD2-CE2 4.44Å; L182-F187 WeakPolarHBondContact O-CD2 3.47Å; L182-F187 PolarHBondContact O-N 2.98Å; L182-F187 VanDerWaalsContact O-N 3.17Å; L182-V189 HydrophobicContact CB-CG2 3.6Å
183I95.9Very high97.3Very high9 Ų936.7 Ų36.75%0.04621%0.205CC..Hα-helixtrans-62.1-43.5175.4-61.7155.5000110.4L4 D46 V48 I179 K180 Q185 G186 V189 I227L4-I183 HydrophobicContact CD1-CD1 4.27Å; L4-I183 HydrophobicContact CD1-CG2 3.93Å; L4-I183 HydrophobicContact CD2-CD1 4.42Å; D46-I183 HydrophobicContact CB-CG2 3.9Å; V48-I183 HydrophobicContact CG2-CD1 3.14Å; V48-I183 HydrophobicContact CG2-CG1 3.69Å; I179-I183 HydrophobicContact CG2-CD1 3.77Å; I179-I183 WeakPolarHBondContact O-CD1 3.2Å; I179-I183 VanDerWaalsContact O-CG1 3.26Å; I179-I183 WeakPolarHBondContact O-CG1 3.39Å; I179-I183 PolarHBondContact O-N 2.85Å; K180-I183 PolarHBondContact O-N 2.98Å; I183-Q185 PolarHBondContact O-N 3.09Å; I183-G186 WeakPolarHBondContact O-CA 3.46Å; I183-G186 PolarHBondContact O-N 3.08Å; I183-V189 HydrophobicContact CG1-CB 4.3Å; I183-V189 HydrophobicContact CG1-CG2 3.72Å; I183-I227 HydrophobicContact CD1-CD1 3.94Å
184Q94.7Very high97Very high139 Ų13936.7 Ų36.765%0.6521%0.205SC*.Hα-helixtrans-62.5-24.5176.9-72.1172.8-15.500113.1K180 A181 L182 G186K180-Q184 VanDerWaalsContact O-CG 3.28Å; K180-Q184 WeakPolarHBondContact O-CG 3.35Å; K180-Q184 PolarHBondContact O-N 3.06Å; K180-Q184 VanDerWaalsContact O-N 3.09Å; A181-Q184 PolarHBondContact O-N 3.48Å; L182-Q184 VanDerWaalsContact C-N 3.33Å; L182-Q184 PolarHBondContact O-N 3.37Å; Q184-G186 VanDerWaalsContact C-N 3.27Å
185Q95.2Very high96.9Very high150 Ų15035.4 Ų35.470%0.70120%0.198SC*.THydrogen-bonded Turntrans-86.14.4171.8-63.7-59.8-38.700113.1A181 L182 I183 F187A181-Q185 WeakPolarHBondContact O-CG 3.47Å; A181-Q185 PolarHBondContact O-N 3.36Å; A181-Q185 VanDerWaalsContact O-N 3.15Å; L182-Q185 CarbonylContact O-C 3.56Å; L182-Q185 PolarHBondContact O-N 3.04Å; L182-Q185 VanDerWaalsContact O-N 3.13Å; I183-Q185 PolarHBondContact O-N 3.09Å; Q185-F187 HydrophobicContact CB-CD2 3.93Å; Q185-F187 HydrophobicContact CB-CE2 4.02Å
186G92.9Very high96.9Very high26 Ų2633.7 Ų33.727%0.26819%0.19SC..THydrogen-bonded Turntrans86.89.3174.100000115.3K107 L182 I183 Q184K107-G186 WeakPolarHBondContact CD-O 3.24Å; K107-G186 WeakPolarHBondContact CE-O 3.41Å; K107-G186 WeakPolarHBondContact CG-O 3.25Å; L182-G186 PolarHBondContact O-N 3.1Å; I183-G186 WeakPolarHBondContact O-CA 3.46Å; I183-G186 PolarHBondContact O-N 3.08Å; Q184-G186 VanDerWaalsContact C-N 3.27Å
187F96.3Very high96.9Very high72 Ų7234.3 Ų34.332%0.31619%0.192SC..  trans-72.7148.5175.1-70.8-93.8000111.8K108 V110 L182 Q185 V189K108-F187 HydrophobicContact CB-CD1 4.01Å; K108-F187 HydrophobicContact CB-CE1 3.95Å; K108-F187 WeakPolarHBondContact O-CA 3.39Å; V110-F187 HydrophobicContact CB-CD1 4.23Å; V110-F187 HydrophobicContact CG1-CB 3.9Å; V110-F187 HydrophobicContact CG1-CD1 4Å; V110-F187 HydrophobicContact CG1-CG 4.11Å; L182-F187 HydrophobicContact CB-CB 4.46Å; L182-F187 HydrophobicContact CD2-CD2 4.19Å; L182-F187 HydrophobicContact CD2-CE2 4.44Å; L182-F187 WeakPolarHBondContact O-CD2 3.47Å; L182-F187 PolarHBondContact O-N 2.98Å; L182-F187 VanDerWaalsContact O-N 3.17Å; Q185-F187 HydrophobicContact CB-CD2 3.93Å; Q185-F187 HydrophobicContact CB-CE2 4.02Å; F187-V189 HydrophobicContact CB-CG2 4.15Å
188V96.8Very high96.9Very high0 Ų030.1 Ų30.10%017%0.165CC..EExtended strand (participates in β ladder)trans-81.4120.4157.9-176.60000107.1V37 L41 I47 L49 L97 L101 K107 K108 A109 V110V37-V188 HydrophobicContact CG1-CG1 4.42Å; L41-V188 HydrophobicContact CD1-CG2 3.97Å; L41-V188 HydrophobicContact CD2-CG2 4.07Å; I47-V188 HydrophobicContact CB-CG1 4.42Å; I47-V188 HydrophobicContact CG2-CG1 4.42Å; L49-V188 HydrophobicContact CD1-CG1 4.39Å; L49-V188 HydrophobicContact CG-CG1 4.45Å; L97-V188 HydrophobicContact CD1-CG1 4.18Å; L101-V188 HydrophobicContact CD1-CG2 4.47Å; K107-V188 HydrophobicContact CD-CG2 3.91Å; K107-V188 HydrophobicContact CG-CG2 4.33Å; K108-V188 PolarHBondContact O-N 2.78Å; A109-V188 CarbonylContact C-O 3.53Å; A109-V188 WeakPolarHBondContact CA-O 3.4Å; A109-V188 HydrophobicContact CB-CB 4.28Å; V110-V188 PolarHBondContact N-O 2.84Å
189V98.3Very high96.9Very high0 Ų028 Ų280%015%0.147CC..EExtended strand (participates in β ladder)trans-105.4129.1-174.2-1740000110.1I47 V48 L49 V110 V112 I179 L182 I183 F187I47-V189 PolarHBondContact O-N 3.35Å; V48-V189 CarbonylContact C-O 3.55Å; V48-V189 VanDerWaalsContact CA-O 3.28Å; V48-V189 WeakPolarHBondContact CA-O 3.49Å; L49-V189 PolarHBondContact N-O 3.04Å; V110-V189 HydrophobicContact CG1-CG1 4.44Å; V110-V189 HydrophobicContact CG1-CG2 4.02Å; V110-V189 CarbonylContact O-C 3.53Å; V110-V189 WeakPolarHBondContact O-CA 3.49Å; V112-V189 HydrophobicContact CG2-CG1 3.92Å; I179-V189 HydrophobicContact CB-CG1 4.43Å; I179-V189 HydrophobicContact CG1-CG1 4.16Å; I179-V189 HydrophobicContact CG2-CB 4.44Å; I179-V189 HydrophobicContact CG2-CG1 3.99Å; L182-V189 HydrophobicContact CB-CG2 3.6Å; I183-V189 HydrophobicContact CG1-CB 4.3Å; I183-V189 HydrophobicContact CG1-CG2 3.72Å; F187-V189 HydrophobicContact CB-CG2 4.15Å
190I98.3Very high96.8Very high2 Ų228.7 Ų28.71%0.0115%0.151CC..EExtended strand (participates in β ladder)trans-98.4118.8165.2-53.787.7000106.9L49 I93 Q94 L97 A109 V110 T111 V112L49-I190 HydrophobicContact CB-CG1 4.23Å; L49-I190 HydrophobicContact CD1-CG1 4.3Å; L49-I190 VanDerWaalsContact O-CA 3.32Å; L49-I190 WeakPolarHBondContact O-CA 3.49Å; I93-I190 HydrophobicContact CB-CG1 4.44Å; I93-I190 HydrophobicContact CG2-CD1 4.32Å; I93-I190 HydrophobicContact CG2-CG1 3.85Å; Q94-I190 HydrophobicContact CB-CD1 4.3Å; L97-I190 HydrophobicContact CD1-CD1 4.19Å; A109-I190 HydrophobicContact CB-CD1 3.99Å; V110-I190 PolarHBondContact O-N 3.35Å; T111-I190 CarbonylContact C-O 3.59Å; T111-I190 WeakPolarHBondContact CA-O 3.28Å; T111-I190 HydrophobicContact CG2-CB 4.47Å; V112-I190 PolarHBondContact N-O 3.22Å
191G97.8Very high96.8Very high2 Ų231.8 Ų31.82%0.02116%0.161CC..  trans-144.1169-177.800000111.8L49 T50 G193L49-G191 PolarHBondContact O-N 3.33Å; T50-G191 WeakPolarHBondContact CA-O 3.4Å; T50-G191 WeakPolarHBondContact CG2-O 3.44Å; G191-G193 PolarHBondContact O-N 3.41Å
192A97.2Very high96.6Very high0 Ų031.6 Ų31.60%016%0.155CC..SBendtrans48.234.3-17900000113.7T50 T114 I173 G195 L223T50-A192 HydrophobicContact CG2-CB 4.27Å; T114-A192 HydrophobicContact CG2-CB 4.33Å; T114-A192 PolarHBondContact OG1-N 3.23Å; I173-A192 HydrophobicContact CD1-CB 4.19Å; A192-G195 PolarHBondContact O-N 3.35Å; A192-G195 VanDerWaalsContact O-N 3.08Å; A192-L223 HydrophobicContact CB-CD2 4.06Å
193G95.7Very high96.4Very high2 Ų237 Ų372%0.02118%0.184CC..G310 helixtrans-58.4141.4178.100000110.9H51 Q86 G191 G195 G196H51-G193 WeakPolarHBondContact NE2-CA 3.44Å; Q86-G193 WeakPolarHBondContact CG-O 3.25Å; Q86-G193 PolarHBondContact NE2-O 3.43Å; G191-G193 PolarHBondContact O-N 3.41Å; G193-G195 PolarHBondContact O-N 3Å; G193-G195 VanDerWaalsContact O-N 3.09Å; G193-G196 PolarHBondContact O-N 3.22Å
194G93.5Very high96.4Very high1 Ų140.5 Ų40.51%0.0122%0.215CC..G310 helixtrans61.714.6-175.400000115.3H51 N53H51-G194 WeakPolarHBondContact O-CA 3.35Å; H51-G194 PolarHBondContact O-N 3.08Å; N53-G194 VanDerWaalsContact OD1-CA 3.25Å; N53-G194 WeakPolarHBondContact OD1-CA 3.34Å
195G95.4Very high96.3Very high0 Ų035.2 Ų35.20%020%0.197CC..G310 helixtrans88.5-4.2-172.300000114.5A192 G193 S219A192-G195 PolarHBondContact O-N 3.35Å; A192-G195 VanDerWaalsContact O-N 3.08Å; G193-G195 PolarHBondContact O-N 3Å; G193-G195 VanDerWaalsContact O-N 3.09Å; G195-S219 VanDerWaalsContact O-CB 3.27Å; G195-S219 WeakPolarHBondContact O-CB 3.43Å; G195-S219 PolarHBondContact O-OG 3.07Å
196G98Very high96.4Very high0 Ų033 Ų330%019%0.19CC..  trans97.8153.2-17500000113.7V82 Q86 T114 G193 P198V82-G196 WeakPolarHBondContact CG1-O 3.48Å; Q86-G196 VanDerWaalsContact NE2-C 3.3Å; T114-G196 WeakPolarHBondContact O-CA 3.31Å; G193-G196 PolarHBondContact O-N 3.22Å; G196-P198 WeakPolarHBondContact O-CD 3.03Å
197I98.5Very high96.6Very high18 Ų1835.3 Ų35.39%0.09219%0.191CC..EExtended strand (participates in β ladder)trans-73.8115.6172-60.5158.3000106.7A79 V82 A83 Q86 V113 T114 Q115 V116 V199A79-I197 HydrophobicContact CB-CG2 4.17Å; V82-I197 HydrophobicContact CG1-CG1 4.05Å; A83-I197 HydrophobicContact CB-CD1 3.52Å; A83-I197 HydrophobicContact CB-CG1 3.97Å; Q86-I197 VanDerWaalsContact NE2-N 3.11Å; V113-I197 HydrophobicContact CG1-CD1 3.49Å; V113-I197 VanDerWaalsContact CG1-CD1 3.49Å; T114-I197 PolarHBondContact O-N 3.44Å; Q115-I197 CarbonylContact C-O 3.56Å; Q115-I197 WeakPolarHBondContact CA-O 3.37Å; V116-I197 PolarHBondContact N-O 3.09Å; I197-V199 PolarHBondContact O-N 2.72Å
198P98.4Very high96.7Very high0 Ų037.6 Ų37.60%020%0.203CC..EExtended strand (participates in β ladder)trans-70.8127.9-17729.3-35.2000110.7V116 V118 G196 S209 V210 A212 I214V116-P198 WeakPolarHBondContact O-CA 3.41Å; V118-P198 HydrophobicContact CG1-CB 4.39Å; V118-P198 HydrophobicContact CG2-CB 4.39Å; G196-P198 WeakPolarHBondContact O-CD 3.03Å; P198-S209 WeakPolarHBondContact O-CA 3.36Å; P198-V210 HydrophobicContact CB-CG2 3.71Å; P198-V210 HydrophobicContact CG-CG2 4.08Å; P198-V210 WeakPolarHBondContact CG-O 3.36Å; P198-V210 PolarHBondContact O-N 3.12Å; P198-V210 VanDerWaalsContact O-N 3.11Å; P198-A212 HydrophobicContact CB-CB 4.49Å; P198-A212 HydrophobicContact CG-CB 4.15Å; P198-A212 WeakPolarHBondContact CG-O 3.48Å; P198-I214 HydrophobicContact CB-CD1 3.9Å; P198-I214 HydrophobicContact CB-CG1 3.93Å
199V98.6Very high96.7Very high3 Ų340.5 Ų40.52%0.01822%0.223CC..EExtended strand (participates in β ladder)trans-130.6147.3175.5-63.20000110.7Q115 V116 E117 V118 V174 I197 Y207 Q208Q115-V199 HydrophobicContact CB-CG1 4.28Å; Q115-V199 HydrophobicContact CB-CG2 4.09Å; Q115-V199 HydrophobicContact CG-CG1 4.25Å; V116-V199 PolarHBondContact O-N 2.69Å; E117-V199 CarbonylContact C-O 3.57Å; E117-V199 VanDerWaalsContact CA-O 3.25Å; E117-V199 WeakPolarHBondContact CA-O 3.25Å; V118-V199 PolarHBondContact N-O 2.98Å; V174-V199 HydrophobicContact CG2-CG2 4.49Å; I197-V199 PolarHBondContact O-N 2.72Å; V199-Y207 HydrophobicContact CB-CD1 4.24Å; V199-Y207 HydrophobicContact CG2-CD1 3.59Å; V199-Y207 HydrophobicContact CG2-CE1 4.31Å; V199-Y207 HydrophobicContact CG2-CG 4.14Å; V199-Q208 CarbonylContact C-O 3.58Å; V199-Q208 VanDerWaalsContact CA-O 3.24Å; V199-Q208 WeakPolarHBondContact CA-O 3.1Å
200V98.1Very high96.7Very high15 Ų1541.8 Ų41.89%0.09123%0.231CC..EExtended strand (participates in β ladder)trans-107.2149.4167.6-63.30000109.2V118 K120 Y207 Q208 V210V118-V200 HydrophobicContact CG2-CG1 3.94Å; K120-V200 HydrophobicContact CB-CB 4.32Å; K120-V200 HydrophobicContact CB-CG1 3.94Å; V200-Y207 WeakPolarHBondContact O-CA 3.27Å; V200-Q208 HydrophobicContact CG2-CB 4.21Å; V200-Q208 PolarHBondContact N-O 2.88Å; V200-Q208 PolarHBondContact O-N 3.23Å; V200-V210 HydrophobicContact CB-CG1 4.45Å; V200-V210 HydrophobicContact CG1-CG1 3.78Å; V200-V210 HydrophobicContact CG2-CG1 3.92Å
201R96.3Very high96.5Very high136 Ų13646.5 Ų46.551%0.51326%0.257SS..EExtended strand (participates in β ladder)trans-87.5125.2173.7-160.3168.6-172.9-170-3.6110.1G205 D206R201-G205 PolarHBondContact NE-O 3.18Å; R201-D206 CarbonylContact C-O 3.54Å; R201-D206 WeakPolarHBondContact CA-O 3.4Å
202T95Very high96.5Very high41 Ų4146.4 Ų46.425%0.25226%0.256SS..  trans-76.3165.6176.472.90000110.7A204 G205 D206 Q208T202-A204 PolarHBondContact O-N 3.26Å; T202-A204 PolarHBondContact OG1-N 3.34Å; T202-G205 WeakPolarHBondContact O-CA 3.39Å; T202-G205 PolarHBondContact O-N 3.22Å; T202-G205 PolarHBondContact OG1-N 3.12Å; T202-D206 HydrophobicContact CG2-CB 4.32Å; T202-D206 PolarHBondContact N-O 2.97Å; T202-D206 PolarHBondContact OG1-N 3.31Å; T202-D206 VanDerWaalsContact OG1-N 3.16Å; T202-Q208 HydrophobicContact CG2-CB 4.15Å
203D93.3Very high96.5Very high160 Ų16046.4 Ų46.486%0.85626%0.256SS*.THydrogen-bonded Turntrans-62.7-24.6176-60.9-23.8000112.2G205D203-G205 VanDerWaalsContact C-N 3.28Å
204A95.2Very high96.5Very high84 Ų8446.4 Ų46.469%0.69426%0.255SS*.THydrogen-bonded Turntrans-77.8-12173.200000113.2T202T202-A204 PolarHBondContact O-N 3.26Å; T202-A204 PolarHBondContact OG1-N 3.34Å
205G94Very high96.4Very high27 Ų2748.3 Ų48.328%0.27827%0.265SS..SBendtrans94.71.3-18000000114.9R201 T202 D203R201-G205 PolarHBondContact NE-O 3.18Å; T202-G205 WeakPolarHBondContact O-CA 3.39Å; T202-G205 PolarHBondContact O-N 3.22Å; T202-G205 PolarHBondContact OG1-N 3.12Å; D203-G205 VanDerWaalsContact C-N 3.28Å
206D96.9Very high96.3Very high103 Ų10349 Ų4955%0.55127%0.268SS*.  trans-73.6160.6175.7-57.9-49000111.6R201 T202R201-D206 CarbonylContact C-O 3.54Å; R201-D206 WeakPolarHBondContact CA-O 3.4Å; T202-D206 HydrophobicContact CG2-CB 4.32Å; T202-D206 PolarHBondContact N-O 2.97Å; T202-D206 PolarHBondContact OG1-N 3.31Å; T202-D206 VanDerWaalsContact OG1-N 3.16Å
207Y97.8Very high95.9Very high76 Ų7649.2 Ų49.230%0.29827%0.269SS..EExtended strand (participates in β ladder)trans-97.3133.3168.9-64.2-71000110.5R172 V174 V199 V200R172-Y207 PolarHBondContact NH1-OH 2.85Å; V174-Y207 HydrophobicContact CG1-CE2 4.02Å; V174-Y207 HydrophobicContact CG2-CD1 4.48Å; V174-Y207 HydrophobicContact CG2-CE1 3.86Å; V174-Y207 HydrophobicContact CG2-CE2 4.27Å; V199-Y207 HydrophobicContact CB-CD1 4.24Å; V199-Y207 HydrophobicContact CG2-CD1 3.59Å; V199-Y207 HydrophobicContact CG2-CE1 4.31Å; V199-Y207 HydrophobicContact CG2-CG 4.14Å; V200-Y207 WeakPolarHBondContact O-CA 3.27Å
208Q97.9Very high95.6Very high119 Ų11950.4 Ų50.456%0.55628%0.278SS*.EExtended strand (participates in β ladder)trans-122.7127.7173.2-178.3178-5.500109.2V199 V200 T202V199-Q208 CarbonylContact C-O 3.58Å; V199-Q208 VanDerWaalsContact CA-O 3.24Å; V199-Q208 WeakPolarHBondContact CA-O 3.1Å; V200-Q208 HydrophobicContact CG2-CB 4.21Å; V200-Q208 PolarHBondContact N-O 2.88Å; V200-Q208 PolarHBondContact O-N 3.23Å; T202-Q208 HydrophobicContact CG2-CB 4.15Å
209S97.3Very high95.5Very high61 Ų6150.4 Ų50.443%0.42728%0.278SS..EExtended strand (participates in β ladder)trans-66147.6175.557.30000111.9P198P198-S209 WeakPolarHBondContact O-CA 3.36Å
210V97.2Very high95.4Very high28 Ų2850.3 Ų50.317%0.1728%0.277CS..  trans-126.5149.1175.7-65.60000110.7V118 F125 P198 V200 A212V118-V210 HydrophobicContact CG2-CG2 4.06Å; F125-V210 HydrophobicContact CE1-CB 4.23Å; F125-V210 HydrophobicContact CE1-CG2 4.05Å; F125-V210 HydrophobicContact CZ-CB 4.32Å; F125-V210 HydrophobicContact CZ-CG2 3.82Å; P198-V210 HydrophobicContact CB-CG2 3.71Å; P198-V210 HydrophobicContact CG-CG2 4.08Å; P198-V210 WeakPolarHBondContact CG-O 3.36Å; P198-V210 PolarHBondContact O-N 3.12Å; P198-V210 VanDerWaalsContact O-N 3.11Å; V200-V210 HydrophobicContact CB-CG1 4.45Å; V200-V210 HydrophobicContact CG1-CG1 3.78Å; V200-V210 HydrophobicContact CG2-CG1 3.92Å; V210-A212 VanDerWaalsContact C-N 3.34Å; V210-A212 PolarHBondContact O-N 2.68Å
211D94.8Very high95.3Very high101 Ų10149.9 Ų49.954%0.5428%0.275SS..SBendtrans-80.380.6-177-73.7-40.1000111.7L78L78-D211 HydrophobicContact CB-CB 4.1Å; L78-D211 PolarHBondContact N-OD1 3.34Å
212A97.1Very high95.4Very high0 Ų043.9 Ų43.90%025%0.253CS..  trans-144.7169.4176.900000111.6F125 A166 P168 P198 V210F125-A212 HydrophobicContact CE1-CB 3.9Å; A166-A212 HydrophobicContact CB-CB 3.94Å; A166-A212 WeakPolarHBondContact O-CB 3.38Å; P168-A212 HydrophobicContact CG-CB 4.04Å; P198-A212 HydrophobicContact CB-CB 4.49Å; P198-A212 HydrophobicContact CG-CB 4.15Å; P198-A212 WeakPolarHBondContact CG-O 3.48Å; V210-A212 VanDerWaalsContact C-N 3.34Å; V210-A212 PolarHBondContact O-N 2.68Å
213V97.3Very high95.6Very high0 Ų041.9 Ų41.90%024%0.241CC..  trans-128.1113.4168.9178.50000108.2V57 L78 V82 K130 I132 V165 A166 S167V57-V213 HydrophobicContact CG1-CG2 4.09Å; V57-V213 HydrophobicContact CG2-CG2 4.24Å; L78-V213 HydrophobicContact CD1-CG2 3.87Å; L78-V213 HydrophobicContact CD2-CG2 4.08Å; L78-V213 HydrophobicContact CG-CG2 4.07Å; V82-V213 HydrophobicContact CG2-CG2 3.92Å; K130-V213 HydrophobicContact CG-CB 4.15Å; K130-V213 HydrophobicContact CG-CG1 4.07Å; I132-V213 HydrophobicContact CG2-CG2 4.21Å; V165-V213 HydrophobicContact CG2-CB 4Å; V165-V213 HydrophobicContact CG2-CG2 3.9Å; A166-V213 PolarHBondContact O-N 3.29Å; S167-V213 WeakPolarHBondContact CA-O 3.47Å; S167-V213 WeakPolarHBondContact CB-O 3.25Å; S167-V213 PolarHBondContact OG-O 3.11Å
214I96.3Very high95.8Very high1 Ų134.3 Ų34.31%0.00520%0.201CC..  trans-71.1141.6178.5-52.9178000109.5V116 V118 P168 P170 P198 K216 S219V116-I214 HydrophobicContact CB-CD1 3.6Å; V116-I214 HydrophobicContact CG1-CD1 3.49Å; V116-I214 VanDerWaalsContact CG1-CD1 3.49Å; V118-I214 HydrophobicContact CG1-CD1 3.55Å; V118-I214 HydrophobicContact CG1-CG1 4.15Å; P168-I214 HydrophobicContact CG-CG1 4.46Å; P170-I214 HydrophobicContact CB-CG2 3.93Å; P170-I214 HydrophobicContact CG-CG2 3.99Å; P198-I214 HydrophobicContact CB-CD1 3.9Å; P198-I214 HydrophobicContact CB-CG1 3.93Å; I214-K216 PolarHBondContact O-N 3.03Å; I214-S219 WeakPolarHBondContact CG2-OG 3.38Å
215D91.8Very high95.8Very high41 Ų4134.1 Ų34.122%0.21918%0.182CC..  trans-66.9134.4172.2-157.9-57.2000111.5K130 S167 D217 P218 S219K130-D215 VanDerWaalsContact NZ-CG 3.32Å; K130-D215 IonicContact NZ-OD1 3.82Å; K130-D215 IonicContact NZ-OD2 2.67Å; K130-D215 PolarHBondContact NZ-OD2 3.01Å; S167-D215 PolarHBondContact OG-N 3.36Å; D215-D217 VanDerWaalsContact C-N 3.35Å; D215-D217 PolarHBondContact O-N 3.37Å; D215-D217 PolarHBondContact OD1-N 3.04Å; D215-P218 HydrophobicContact CB-CG 4.3Å; D215-P218 WeakPolarHBondContact O-CD 3.28Å; D215-S219 PolarHBondContact O-N 3.23Å; D215-S219 PolarHBondContact O-OG 3.21Å
216K91.3Very high96Very high14 Ų1435.2 Ų35.26%0.06118%0.18CC..Hα-helixtrans-63.4-37.5179.7-179.4-134.868.3-158.90111.8A8 I9 I214 S219 T220A8-K216 HydrophobicContact CB-CD 4.2Å; I9-K216 WeakPolarHBondContact O-CD 3.45Å; I214-K216 PolarHBondContact O-N 3.03Å; K216-S219 PolarHBondContact O-N 2.72Å; K216-T220 VanDerWaalsContact O-CB 3.28Å; K216-T220 WeakPolarHBondContact O-CB 3.45Å; K216-T220 PolarHBondContact O-N 3.49Å; K216-T220 PolarHBondContact O-OG1 3.34Å
217D91Very high96Very high6 Ų630.5 Ų30.53%0.03215%0.154CC..Hα-helixtrans-63.9-53.2-174-64.5-25.9000111.4D215 T220 A221 K278 A281D215-D217 VanDerWaalsContact C-N 3.35Å; D215-D217 PolarHBondContact O-N 3.37Å; D215-D217 PolarHBondContact OD1-N 3.04Å; D217-T220 PolarHBondContact O-N 3.49Å; D217-A221 PolarHBondContact O-N 2.74Å; D217-A221 VanDerWaalsContact O-N 3.12Å; D217-K278 WeakPolarHBondContact OD2-CG 3.44Å; D217-K278 IonicContact OD2-NZ 3.78Å; D217-K278 PolarHBondContact OD2-NZ 2.87Å; D217-A281 HydrophobicContact CB-CB 4.43Å
218P92.7Very high96Very high42 Ų4233.1 Ų33.127%0.27317%0.169SC..Hα-helixtrans-60.8-42.4172.6-23.334.7000113.8P170 D215 T220 A221 L222P170-P218 HydrophobicContact CG-CB 3.83Å; D215-P218 HydrophobicContact CB-CG 4.3Å; D215-P218 WeakPolarHBondContact O-CD 3.28Å; P218-T220 VanDerWaalsContact C-N 3.26Å; P218-T220 PolarHBondContact O-N 3.23Å; P218-A221 PolarHBondContact O-N 3.47Å; P218-L222 WeakPolarHBondContact O-CB 3.46Å; P218-L222 PolarHBondContact O-N 3.11Å
219S95.6Very high95.9Very high0 Ų027.8 Ų27.80%015%0.146CC..Hα-helixtrans-63.8-32.9178.2-70.40000112.8G195 I214 D215 K216 L223G195-S219 VanDerWaalsContact O-CB 3.27Å; G195-S219 WeakPolarHBondContact O-CB 3.43Å; G195-S219 PolarHBondContact O-OG 3.07Å; I214-S219 WeakPolarHBondContact CG2-OG 3.38Å; D215-S219 PolarHBondContact O-N 3.23Å; D215-S219 PolarHBondContact O-OG 3.21Å; K216-S219 PolarHBondContact O-N 2.72Å; S219-L223 WeakPolarHBondContact O-CB 3.27Å; S219-L223 PolarHBondContact O-N 3Å
220T96.7Very high95.9Very high1 Ų126.6 Ų26.61%0.00614%0.135CC..Hα-helixtrans-71.8-42.8177.3-54.80000111.1V6 A8 T50 K216 D217 P218 L222 L223 A224 L232V6-T220 HydrophobicContact CG1-CG2 3.51Å; A8-T220 HydrophobicContact CB-CG2 3.66Å; T50-T220 HydrophobicContact CG2-CG2 3.74Å; T50-T220 WeakPolarHBondContact OG1-CG2 3.48Å; T50-T220 PolarHBondContact OG1-OG1 3.42Å; K216-T220 VanDerWaalsContact O-CB 3.28Å; K216-T220 WeakPolarHBondContact O-CB 3.45Å; K216-T220 PolarHBondContact O-N 3.49Å; K216-T220 PolarHBondContact O-OG1 3.34Å; D217-T220 PolarHBondContact O-N 3.49Å; P218-T220 VanDerWaalsContact C-N 3.26Å; P218-T220 PolarHBondContact O-N 3.23Å; T220-L222 VanDerWaalsContact C-N 3.29Å; T220-L222 PolarHBondContact O-N 2.93Å; T220-L223 PolarHBondContact O-N 3.24Å; T220-A224 WeakPolarHBondContact O-CB 3.45Å; T220-A224 PolarHBondContact O-N 2.98Å; T220-L232 HydrophobicContact CG2-CD1 3.62Å
221A96.5Very high95.9Very high6 Ų625.6 Ų25.65%0.0513%0.128CC..Hα-helixtrans-61.7-40.2173.700000111.6D217 P218 A224 R225 L232 A281 F285D217-A221 PolarHBondContact O-N 2.74Å; D217-A221 VanDerWaalsContact O-N 3.12Å; P218-A221 PolarHBondContact O-N 3.47Å; A221-A224 PolarHBondContact O-N 3.16Å; A221-R225 WeakPolarHBondContact O-CB 3.21Å; A221-R225 PolarHBondContact O-N 3.4Å; A221-L232 HydrophobicContact CB-CD2 4.02Å; A221-A281 HydrophobicContact CB-CB 3.93Å; A221-A281 WeakPolarHBondContact CB-O 3.39Å; A221-F285 HydrophobicContact CB-CB 4.35Å
222L97.4Very high96.1Very high10 Ų1020.8 Ų20.85%0.05210%0.102CC..Hα-helixtrans-59.3-49.3172.8175.963.5000111.6V116 P170 I173 P218 T220 A224 R225 E226V116-L222 HydrophobicContact CG1-CD2 4.49Å; P170-L222 HydrophobicContact CB-CD2 3.68Å; P170-L222 HydrophobicContact CG-CD2 4.31Å; I173-L222 HydrophobicContact CD1-CD2 4.33Å; I173-L222 HydrophobicContact CD1-CG 4.22Å; I173-L222 HydrophobicContact CG1-CD2 3.66Å; I173-L222 HydrophobicContact CG1-CG 3.89Å; P218-L222 WeakPolarHBondContact O-CB 3.46Å; P218-L222 PolarHBondContact O-N 3.11Å; T220-L222 VanDerWaalsContact C-N 3.29Å; T220-L222 PolarHBondContact O-N 2.93Å; L222-A224 PolarHBondContact O-N 3.44Å; L222-R225 VanDerWaalsContact CD1-CZ 3.46Å; L222-R225 WeakPolarHBondContact O-CB 3.26Å; L222-R225 PolarHBondContact O-N 3Å; L222-E226 HydrophobicContact CD1-CG 4.07Å; L222-E226 WeakPolarHBondContact O-CG 3.44Å; L222-E226 PolarHBondContact O-N 2.93Å
223L98.3Very high96.1Very high0 Ų020.8 Ų20.80%010%0.102CC..Hα-helixtrans-58-50.8178-177.858.4000111V48 T50 I173 I179 A192 S219 T220 R225 E226 I227V48-L223 HydrophobicContact CG1-CD2 3.77Å; T50-L223 HydrophobicContact CG2-CD2 3.7Å; I173-L223 VanDerWaalsContact CD1-CA 3.49Å; I173-L223 HydrophobicContact CD1-CB 3.41Å; I173-L223 VanDerWaalsContact CD1-CB 3.41Å; I173-L223 HydrophobicContact CD1-CD1 3.77Å; I173-L223 HydrophobicContact CD1-CG 4.11Å; I173-L223 HydrophobicContact CG2-CD1 4.46Å; I179-L223 HydrophobicContact CD1-CD1 3.74Å; I179-L223 HydrophobicContact CD1-CD2 4.48Å; I179-L223 HydrophobicContact CG2-CD1 4.32Å; A192-L223 HydrophobicContact CB-CD2 4.06Å; S219-L223 WeakPolarHBondContact O-CB 3.27Å; S219-L223 PolarHBondContact O-N 3Å; T220-L223 PolarHBondContact O-N 3.24Å; L223-R225 VanDerWaalsContact C-N 3.25Å; L223-R225 PolarHBondContact O-N 3.06Å; L223-E226 PolarHBondContact O-N 2.75Å; L223-E226 VanDerWaalsContact O-N 3.12Å; L223-I227 HydrophobicContact CD1-CG2 3.93Å; L223-I227 HydrophobicContact CG-CD1 4.28Å; L223-I227 VanDerWaalsContact O-CG1 3.3Å; L223-I227 WeakPolarHBondContact O-CG1 3.44Å; L223-I227 PolarHBondContact O-N 2.91Å
224A98.1Very high96Very high0 Ų020.9 Ų20.90%010%0.103CC..Hα-helixtrans-55.4-42.2179.800000111.6V6 T220 A221 L222 H228 A229 L232 F285V6-A224 HydrophobicContact CB-CB 3.99Å; V6-A224 HydrophobicContact CG1-CB 4.43Å; V6-A224 HydrophobicContact CG2-CB 3.75Å; T220-A224 WeakPolarHBondContact O-CB 3.45Å; T220-A224 PolarHBondContact O-N 2.98Å; A221-A224 PolarHBondContact O-N 3.16Å; L222-A224 PolarHBondContact O-N 3.44Å; A224-H228 PolarHBondContact O-N 3.37Å; A224-A229 HydrophobicContact CB-CB 3.95Å; A224-A229 WeakPolarHBondContact O-CB 3.28Å; A224-A229 PolarHBondContact O-N 3.4Å; A224-L232 HydrophobicContact CB-CD1 4.3Å; A224-F285 HydrophobicContact CB-CD2 3.76Å; A224-F285 HydrophobicContact CB-CE2 3.57Å; A224-F285 HydrophobicContact CB-CZ 4.47Å
225R96.6Very high95.8Very high81 Ų8121.2 Ų21.231%0.30611%0.105SC..Hα-helixtrans-62.6-52.4173.4178.2-172.173.9-172.28.1112.6A221 L222 L223 I227 H228 Q288A221-R225 WeakPolarHBondContact O-CB 3.21Å; A221-R225 PolarHBondContact O-N 3.4Å; L222-R225 VanDerWaalsContact CD1-CZ 3.46Å; L222-R225 WeakPolarHBondContact O-CB 3.26Å; L222-R225 PolarHBondContact O-N 3Å; L223-R225 VanDerWaalsContact C-N 3.25Å; L223-R225 PolarHBondContact O-N 3.06Å; R225-I227 PolarHBondContact O-N 2.83Å; R225-H228 PolarHBondContact O-N 2.82Å; R225-Q288 HydrophobicContact CG-CB 4.48Å
226E97.7Very high95.7Very high49 Ų4920.8 Ų20.823%0.22910%0.104CC..Hα-helixtrans-66.9-24.9-171.9-72.1-170.7168.600113.3R172 I173 A176 L222 L223R172-E226 WeakPolarHBondContact CA-OE1 3.11Å; I173-E226 VanDerWaalsContact CB-OE2 3.3Å; I173-E226 WeakPolarHBondContact CB-OE2 3.09Å; I173-E226 PolarHBondContact N-OE2 3.36Å; A176-E226 HydrophobicContact CB-CB 3.94Å; A176-E226 WeakPolarHBondContact CB-OE2 3.35Å; L222-E226 HydrophobicContact CD1-CG 4.07Å; L222-E226 WeakPolarHBondContact O-CG 3.44Å; L222-E226 PolarHBondContact O-N 2.93Å; L223-E226 PolarHBondContact O-N 2.75Å; L223-E226 VanDerWaalsContact O-N 3.12Å
227I97.3Very high95.5Very high4 Ų423.6 Ų23.62%0.02114%0.137CC..THydrogen-bonded Turntrans-96.6-0.4174.173.5-175.7000113.5L4 V6 V48 A176 I179 K180 I183 L223 R225 A229L4-I227 HydrophobicContact CD2-CB 4.48Å; L4-I227 HydrophobicContact CD2-CD1 3.96Å; L4-I227 HydrophobicContact CD2-CG1 3.85Å; V6-I227 HydrophobicContact CG2-CD1 3.82Å; V48-I227 HydrophobicContact CB-CD1 4.42Å; V48-I227 HydrophobicContact CG2-CD1 3.77Å; A176-I227 HydrophobicContact CB-CG2 4.37Å; I179-I227 HydrophobicContact CG2-CG2 4.24Å; K180-I227 HydrophobicContact CB-CG2 4.32Å; I183-I227 HydrophobicContact CD1-CD1 3.94Å; L223-I227 HydrophobicContact CD1-CG2 3.93Å; L223-I227 HydrophobicContact CG-CD1 4.28Å; L223-I227 VanDerWaalsContact O-CG1 3.3Å; L223-I227 WeakPolarHBondContact O-CG1 3.44Å; L223-I227 PolarHBondContact O-N 2.91Å; R225-I227 PolarHBondContact O-N 2.83Å; I227-A229 HydrophobicContact CG1-CB 4.37Å
228H96.2Very high95.4Very high132 Ų13225.3 Ų25.361%0.61115%0.147SC*.THydrogen-bonded Turntrans56.252-175.1-42.1-74.8000113.6K180 A224 R225K180-H228 PolarHBondContact NZ-CD2 3.45Å; K180-H228 PolarHBondContact NZ-NE2 3.4Å; A224-H228 PolarHBondContact O-N 3.37Å; R225-H228 PolarHBondContact O-N 2.82Å
229A97.6Very high95.5Very high7 Ų727.6 Ų27.66%0.05816%0.155CC..  trans-65145.4170.100000111.4L4 V6 A224 I227 F285L4-A229 HydrophobicContact CD2-CB 4.22Å; L4-A229 HydrophobicContact CG-CB 3.95Å; V6-A229 HydrophobicContact CG2-CB 3.56Å; A224-A229 HydrophobicContact CB-CB 3.95Å; A224-A229 WeakPolarHBondContact O-CB 3.28Å; A224-A229 PolarHBondContact O-N 3.4Å; I227-A229 HydrophobicContact CG1-CB 4.37Å; A229-F285 HydrophobicContact CB-CE2 4.42Å; A229-F285 WeakPolarHBondContact O-CZ 3.31Å
230D96.9Very high95.6Very high36 Ų3630 Ų3019%0.19317%0.165CC..SBendtrans-79.1-43.3176.2-64.2-77.2000110.6E3 L4 K291 E292E3-D230 VanDerWaalsContact CA-OD2 3.31Å; E3-D230 WeakPolarHBondContact CA-OD2 3.42Å; E3-D230 HydrophobicContact CB-CB 4.15Å; E3-D230 HydrophobicContact CG-CB 4.42Å; L4-D230 PolarHBondContact N-OD2 2.85Å; L4-D230 PolarHBondContact O-N 3.48Å; D230-K291 HydrophobicContact CB-CD 4.11Å; D230-K291 WeakPolarHBondContact O-CB 3.46Å; D230-K291 PolarHBondContact O-N 3.11Å; D230-K291 WeakPolarHBondContact OD1-CE 3.37Å; D230-K291 IonicContact OD1-NZ 3.59Å; D230-K291 PolarHBondContact OD1-NZ 2.86Å; D230-E292 PolarHBondContact O-N 2.93Å
231I97.4Very high95.7Very high7 Ų730 Ų304%0.03617%0.165CC..EExtended strand (participates in β ladder)trans-126.6132.3-172.1-54.4173.4000109.7L4 V5 V6 Y45 V233 E292 I294L4-I231 PolarHBondContact O-N 2.98Å; V5-I231 WeakPolarHBondContact CA-O 3.45Å; V5-I231 HydrophobicContact CG1-CB 4.33Å; V5-I231 HydrophobicContact CG1-CG2 4.33Å; V5-I231 HydrophobicContact CG2-CB 4.19Å; V5-I231 HydrophobicContact CG2-CD1 4.28Å; V6-I231 PolarHBondContact N-O 3.27Å; Y45-I231 HydrophobicContact CE1-CD1 4.36Å; I231-V233 HydrophobicContact CG2-CG2 4.22Å; I231-E292 WeakPolarHBondContact CA-O 3.43Å; I231-I294 HydrophobicContact CG2-CD1 4.05Å; I231-I294 HydrophobicContact CG2-CG1 4.26Å
232L98Very high95.7Very high0 Ų030.4 Ų30.40%017%0.167CC..EExtended strand (participates in β ladder)trans-106.6127.8167.7171.565.8000109.2V6 T220 A221 A224 I234 F285 E292 V293 I294V6-L232 HydrophobicContact CB-CD1 4.34Å; V6-L232 HydrophobicContact CG1-CD1 4.47Å; T220-L232 HydrophobicContact CG2-CD1 3.62Å; A221-L232 HydrophobicContact CB-CD2 4.02Å; A224-L232 HydrophobicContact CB-CD1 4.3Å; L232-I234 HydrophobicContact CD1-CG1 4.45Å; L232-I234 HydrophobicContact CD2-CD1 4.17Å; L232-I234 HydrophobicContact CD2-CG1 4.25Å; L232-I234 HydrophobicContact CG-CG1 4.13Å; L232-F285 HydrophobicContact CB-CD1 3.71Å; L232-F285 HydrophobicContact CB-CD2 4.42Å; L232-F285 HydrophobicContact CB-CE1 3.64Å; L232-F285 HydrophobicContact CB-CE2 4.4Å; L232-F285 HydrophobicContact CB-CG 4.09Å; L232-F285 HydrophobicContact CB-CZ 4Å; L232-F285 HydrophobicContact CD2-CB 4.02Å; L232-F285 HydrophobicContact CD2-CD1 4.28Å; L232-F285 HydrophobicContact CD2-CG 4.07Å; L232-E292 PolarHBondContact N-O 3.27Å; L232-V293 HydrophobicContact CB-CG2 4.2Å; L232-V293 HydrophobicContact CD2-CG1 4.46Å; L232-V293 HydrophobicContact CD2-CG2 4.37Å; L232-V293 HydrophobicContact CG-CG1 4.42Å; L232-V293 CarbonylContact O-C 3.53Å; L232-V293 VanDerWaalsContact O-CA 3.23Å; L232-V293 WeakPolarHBondContact O-CA 3.32Å; L232-I294 PolarHBondContact O-N 3.08Å
233V96.7Very high95.7Very high0 Ų030.2 Ų30.20%017%0.166CC..EExtended strand (participates in β ladder)trans-110125.9173.2176.10000108.7V5 V6 V7 A8 I231 I294 L301 L305V5-V233 HydrophobicContact CG1-CG2 3.7Å; V6-V233 PolarHBondContact O-N 3.21Å; V7-V233 HydrophobicContact CB-CB 4.41Å; V7-V233 HydrophobicContact CG1-CB 4.29Å; V7-V233 HydrophobicContact CG1-CG1 4.11Å; V7-V233 HydrophobicContact CG2-CB 4.18Å; V7-V233 HydrophobicContact CG2-CG2 4.39Å; A8-V233 PolarHBondContact N-O 2.94Å; I231-V233 HydrophobicContact CG2-CG2 4.22Å; V233-I294 CarbonylContact C-O 3.54Å; V233-I294 WeakPolarHBondContact CA-O 3.31Å; V233-I294 HydrophobicContact CG2-CB 4.3Å; V233-L301 HydrophobicContact CB-CD1 4.26Å; V233-L301 HydrophobicContact CG1-CD1 3.29Å; V233-L301 HydrophobicContact CG1-CD2 4.28Å; V233-L301 HydrophobicContact CG1-CG 4.43Å; V233-L301 HydrophobicContact CG2-CD1 4.06Å; V233-L305 HydrophobicContact CG2-CD2 4.21Å
234I95.3Very high95.6Very high1 Ų133 Ų331%0.00518%0.179CC..EExtended strand (participates in β ladder)trans-113.2114.1172.3-57.1172.1000109.2L232 K278 A281 V293 I294 I295 T296L232-I234 HydrophobicContact CD1-CG1 4.45Å; L232-I234 HydrophobicContact CD2-CD1 4.17Å; L232-I234 HydrophobicContact CD2-CG1 4.25Å; L232-I234 HydrophobicContact CG-CG1 4.13Å; I234-K278 HydrophobicContact CD1-CB 4.23Å; I234-K278 HydrophobicContact CG2-CB 4.31Å; I234-K278 HydrophobicContact CG2-CD 3.89Å; I234-K278 HydrophobicContact CG2-CG 3.77Å; I234-A281 HydrophobicContact CD1-CB 4.5Å; I234-V293 HydrophobicContact CD1-CG1 4.44Å; I234-I294 PolarHBondContact N-O 3.49Å; I234-I295 HydrophobicContact CB-CG1 4.38Å; I234-I295 WeakPolarHBondContact O-CA 3.34Å; I234-T296 PolarHBondContact O-N 2.93Å
235T92.2Very high95.2Very high8 Ų838.6 Ų38.65%0.04920%0.204CC..EExtended strand (participates in β ladder)trans-79.8139.3173.665.60000111.7V7 A8 I9 G10 T296 P298V7-T235 HydrophobicContact CG1-CG2 4.43Å; A8-T235 WeakPolarHBondContact O-CB 3.39Å; A8-T235 PolarHBondContact O-N 2.9Å; A8-T235 VanDerWaalsContact O-N 3.08Å; A8-T235 PolarHBondContact O-OG1 3.42Å; I9-T235 WeakPolarHBondContact CA-OG1 3.45Å; G10-T235 PolarHBondContact N-OG1 2.79Å; T235-T296 CarbonylContact C-O 3.56Å; T235-T296 VanDerWaalsContact CA-O 3.26Å; T235-T296 WeakPolarHBondContact CA-O 3.47Å; T235-P298 HydrophobicContact CG2-CG 4.28Å
236T90.1Very high94.9Very high32 Ų3237.9 Ų37.920%0.19622%0.222CC..  trans-143.9180-179.7-169.50000110.9V238 M275 I295 T296 T297T236-V238 VanDerWaalsContact C-N 3.29Å; T236-V238 HydrophobicContact CG2-CG2 3.83Å; T236-V238 VanDerWaalsContact CG2-O 3.25Å; T236-V238 WeakPolarHBondContact CG2-O 3.46Å; T236-V238 PolarHBondContact O-N 3.26Å; T236-M275 HydrophobicContact CG2-CE 4.42Å; T236-I295 HydrophobicContact CG2-CG2 3.67Å; T236-T296 PolarHBondContact N-O 3.33Å; T236-T297 WeakPolarHBondContact O-CA 3.49Å
237G86.4Confident94.7Very high73 Ų7341.3 Ų41.375%0.75324%0.236SC*.SBendtrans-84.44.4-179.100000115.1
238V90.7Very high94.6Very high43 Ų4348 Ų4826%0.26128%0.279SS..SBendtrans-131.8142.4179.8-65.30000110T236 K240 F245 M275 T296T236-V238 VanDerWaalsContact C-N 3.29Å; T236-V238 HydrophobicContact CG2-CG2 3.83Å; T236-V238 VanDerWaalsContact CG2-O 3.25Å; T236-V238 WeakPolarHBondContact CG2-O 3.46Å; T236-V238 PolarHBondContact O-N 3.26Å; V238-K240 VanDerWaalsContact C-N 3.32Å; V238-K240 WeakPolarHBondContact CG2-O 3.35Å; V238-K240 PolarHBondContact O-N 3.2Å; V238-F245 HydrophobicContact CG1-CE2 4.25Å; V238-M275 HydrophobicContact CG2-CE 3.76Å; V238-T296 CarbonylContact O-C 3.6Å
239E94.9Very high94.5Very high90 Ų9046.3 Ų46.342%0.42127%0.272SS..SBendtrans-68-35.2-176-176.5177.9-176.700111.9T296 C300 T309 G310E239-T296 WeakPolarHBondContact O-CA 3.4Å; E239-T296 PolarHBondContact O-OG1 3.24Å; E239-T296 VanDerWaalsContact O-OG1 3.14Å; E239-C300 HydrophobicContact CG-CB 4.28Å; E239-T309 VanDerWaalsContact CD-OG1 3.25Å; E239-T309 HydrophobicContact CG-CG2 4.45Å; E239-T309 WeakPolarHBondContact CG-OG1 3.36Å; E239-T309 WeakPolarHBondContact OE1-CB 3.43Å; E239-T309 PolarHBondContact OE1-OG1 3.08Å; E239-G310 WeakPolarHBondContact O-CA 3.48Å
240K97.5Very high94.5Very high50 Ų5050.4 Ų50.422%0.21729%0.29CS..SBendtrans-134.7145.6179.1-63.5-175.9177.7173.70110.7V238 A252 D254 T309 T311V238-K240 VanDerWaalsContact C-N 3.32Å; V238-K240 WeakPolarHBondContact CG2-O 3.35Å; V238-K240 PolarHBondContact O-N 3.2Å; K240-A252 HydrophobicContact CB-CB 4.06Å; K240-A252 HydrophobicContact CD-CB 4.24Å; K240-D254 WeakPolarHBondContact CD-OD1 3.5Å; K240-D254 VanDerWaalsContact CE-OD1 3.3Å; K240-D254 WeakPolarHBondContact CE-OD1 3.49Å; K240-D254 IonicContact NZ-OD1 2.67Å; K240-D254 PolarHBondContact NZ-OD1 3.08Å; K240-T309 VanDerWaalsContact CE-OG1 3.29Å; K240-T309 WeakPolarHBondContact CE-OG1 3.39Å; K240-T311 WeakPolarHBondContact CA-OG1 3.32Å
241V97.4Very high94.5Very high0 Ų053.7 Ų53.70%030%0.304CS..  trans-65.7136.6167.5-179.90000108.2L253 F270 M275 I279 I295 T311V241-L253 HydrophobicContact CB-CD1 4.5Å; V241-L253 HydrophobicContact CG1-CD1 4.11Å; V241-L253 WeakPolarHBondContact O-CB 3.4Å; V241-L253 PolarHBondContact O-N 2.93Å; V241-F270 HydrophobicContact CG1-CD1 4.16Å; V241-F270 HydrophobicContact CG1-CE1 3.43Å; V241-F270 VanDerWaalsContact CG1-CE1 3.43Å; V241-F270 HydrophobicContact CG1-CZ 4.05Å; V241-M275 HydrophobicContact CG1-CG 4.33Å; V241-M275 HydrophobicContact CG1-SD 4.39Å; V241-M275 HydrophobicContact CG2-CE 4.28Å; V241-M275 HydrophobicContact CG2-SD 3.94Å; V241-I279 HydrophobicContact CG1-CD1 4.29Å; V241-I279 HydrophobicContact CG2-CD1 4.36Å; V241-I295 HydrophobicContact CG2-CB 3.91Å; V241-I295 HydrophobicContact CG2-CD1 3.84Å; V241-I295 HydrophobicContact CG2-CG1 4.45Å; V241-I295 HydrophobicContact CG2-CG2 3.79Å; V241-T311 HydrophobicContact CB-CG2 4.04Å; V241-T311 WeakPolarHBondContact CB-OG1 3.27Å; V241-T311 HydrophobicContact CG2-CG2 4.05Å; V241-T311 PolarHBondContact N-OG1 3.44Å
242C97.2Very high94.5Very high16 Ų1655.5 Ų55.511%0.10832%0.32CS..EExtended strand (participates in β ladder)trans-120.1144.7175.3-55.60000111.5F245 Q250 Q251C242-F245 HydrophobicContact CB-CD2 4.08Å; C242-Q250 HydrophobicContact CB-CG 3.72Å; C242-Q251 CarbonylContact C-O 3.6Å; C242-Q251 WeakPolarHBondContact CA-O 3.05Å; C242-Q251 WeakPolarHBondContact CB-O 3.24Å
243I97.7Very high94.5Very high6 Ų655.8 Ų55.83%0.03132%0.322CS..EExtended strand (participates in β ladder)trans-86.8155.4157.261.3174.5000109.5F245 Q250 Q251 L253 Y264 H269 F270I243-F245 PolarHBondContact O-N 2.94Å; I243-Q250 WeakPolarHBondContact O-CA 3.29Å; I243-Q251 HydrophobicContact CD1-CB 4.27Å; I243-Q251 HydrophobicContact CG1-CB 3.81Å; I243-Q251 HydrophobicContact CG1-CG 4.49Å; I243-Q251 PolarHBondContact N-O 3.42Å; I243-Q251 PolarHBondContact O-N 3.32Å; I243-L253 HydrophobicContact CG1-CD2 4.48Å; I243-L253 HydrophobicContact CG2-CD1 4.17Å; I243-L253 HydrophobicContact CG2-CD2 4.32Å; I243-Y264 HydrophobicContact CD1-CD1 4.4Å; I243-Y264 HydrophobicContact CD1-CE1 3.72Å; I243-Y264 HydrophobicContact CG2-CD1 3.78Å; I243-Y264 HydrophobicContact CG2-CD2 3.84Å; I243-Y264 HydrophobicContact CG2-CE1 4.08Å; I243-Y264 HydrophobicContact CG2-CE2 4.15Å; I243-Y264 HydrophobicContact CG2-CG 3.66Å; I243-H269 HydrophobicContact CB-CB 4.29Å; I243-H269 HydrophobicContact CG2-CB 4.05Å; I243-F270 HydrophobicContact CG2-CE1 4.5Å; I243-F270 HydrophobicContact CG2-CZ 4.45Å
244H95.1Very high94.6Very high57 Ų5760.2 Ų60.226%0.26435%0.345SS..SBendtrans52.238.5-173.7-49.2-69000113.7G246 K247 Q249 Q250 H269H244-G246 PolarHBondContact O-N 3.38Å; H244-K247 HydrophobicContact CB-CB 4.33Å; H244-K247 HydrophobicContact CB-CD 4.47Å; H244-K247 WeakPolarHBondContact O-CB 3.45Å; H244-K247 PolarHBondContact O-N 2.67Å; H244-Q249 HydrophobicContact CB-CG 3.7Å; H244-Q249 PolarHBondContact CD2-O 2.79Å; H244-Q250 WeakPolarHBondContact O-CA 3.47Å; H244-Q250 WeakPolarHBondContact O-CB 3.28Å; H244-H269 AromaticContact CE1-CE1 3.28Å; H244-H269 PolarHBondContact CE1-CE1 2.92Å; H244-H269 AromaticContact ND1-CE1 3.42Å; H244-H269 PolarHBondContact ND1-CE1 3.48Å; H244-H269 AromaticContact ND1-ND1 3.85Å; H244-H269 AromaticContact NE2-CE1 3.89Å
245F90.7Very high94.7Very high118 Ų11868.1 Ų68.152%0.51838%0.375SS..THydrogen-bonded Turntrans-52.5133.6-178.3-172-96000112.3V238 C242 I243 K247V238-F245 HydrophobicContact CG1-CE2 4.25Å; C242-F245 HydrophobicContact CB-CD2 4.08Å; I243-F245 PolarHBondContact O-N 2.94Å; F245-K247 PolarHBondContact O-N 2.85Å
246G89Confident95Very high67 Ų6768.5 Ų68.569%0.69138%0.378SS*.THydrogen-bonded Turntrans73.74.1-178.200000115.4H244H244-G246 PolarHBondContact O-N 3.38Å
247K93.9Very high95.3Very high121 Ų12169 Ų6953%0.52638%0.379SS..SBendtrans-108.6159-179.6-55.2-178.7178.8177.90111.3H244 F245 Q249 Q250H244-K247 HydrophobicContact CB-CB 4.33Å; H244-K247 HydrophobicContact CB-CD 4.47Å; H244-K247 WeakPolarHBondContact O-CB 3.45Å; H244-K247 PolarHBondContact O-N 2.67Å; F245-K247 PolarHBondContact O-N 2.85Å; K247-Q249 VanDerWaalsContact CB-OE1 3.28Å; K247-Q249 PolarHBondContact O-N 2.85Å; K247-Q249 VanDerWaalsContact O-N 3.1Å; K247-Q250 VanDerWaalsContact O-CB 3.22Å; K247-Q250 WeakPolarHBondContact O-CB 3.44Å; K247-Q250 PolarHBondContact O-N 3.12Å
248P94.9Very high95.8Very high143 Ų14367 Ų6793%0.92935%0.35SS*.THydrogen-bonded Turntrans-55.6-29.5-180-28.136.2000114.9Q250P248-Q250 VanDerWaalsContact C-N 3.31Å
249Q94.6Very high96.1Very high98 Ų9868.2 Ų68.246%0.45837%0.365SS..THydrogen-bonded Turntrans-92.119.4177.774.5-79.821.100113.4H244 K247 Q251H244-Q249 HydrophobicContact CB-CG 3.7Å; H244-Q249 PolarHBondContact CD2-O 2.79Å; K247-Q249 VanDerWaalsContact CB-OE1 3.28Å; K247-Q249 PolarHBondContact O-N 2.85Å; K247-Q249 VanDerWaalsContact O-N 3.1Å; Q249-Q251 PolarHBondContact O-N 3.08Å
250Q97.6Very high96.2Very high93 Ų9365.7 Ų65.744%0.43536%0.356SS..  trans-54129.7176.4-179176.2-70.800110.4C242 I243 H244 K247 P248C242-Q250 HydrophobicContact CB-CG 3.72Å; I243-Q250 WeakPolarHBondContact O-CA 3.29Å; H244-Q250 WeakPolarHBondContact O-CA 3.47Å; H244-Q250 WeakPolarHBondContact O-CB 3.28Å; K247-Q250 VanDerWaalsContact O-CB 3.22Å; K247-Q250 WeakPolarHBondContact O-CB 3.44Å; K247-Q250 PolarHBondContact O-N 3.12Å; P248-Q250 VanDerWaalsContact C-N 3.31Å
251Q97.6Very high96.3Very high104 Ų10463.3 Ų63.349%0.48635%0.346SS..EExtended strand (participates in β ladder)trans-129.6121.3178.8177.3-176.3-20.300109.4C242 I243 Q249C242-Q251 CarbonylContact C-O 3.6Å; C242-Q251 WeakPolarHBondContact CA-O 3.05Å; C242-Q251 WeakPolarHBondContact CB-O 3.24Å; I243-Q251 HydrophobicContact CD1-CB 4.27Å; I243-Q251 HydrophobicContact CG1-CB 3.81Å; I243-Q251 HydrophobicContact CG1-CG 4.49Å; I243-Q251 PolarHBondContact N-O 3.42Å; I243-Q251 PolarHBondContact O-N 3.32Å; Q249-Q251 PolarHBondContact O-N 3.08Å
252A97.7Very high96.3Very high46 Ų4664.8 Ų64.838%0.3836%0.355SS..EExtended strand (participates in β ladder)trans-72.2143.6171.400000110.7K240K240-A252 HydrophobicContact CB-CB 4.06Å; K240-A252 HydrophobicContact CD-CB 4.24Å
253L98.1Very high96.3Very high5 Ų568.7 Ų68.73%0.02637%0.367CS..  trans-102.4120.5178-56.6-178.3000109.1V241 I243 V256 M261 Y264 T311V241-L253 HydrophobicContact CB-CD1 4.5Å; V241-L253 HydrophobicContact CG1-CD1 4.11Å; V241-L253 WeakPolarHBondContact O-CB 3.4Å; V241-L253 PolarHBondContact O-N 2.93Å; I243-L253 HydrophobicContact CG1-CD2 4.48Å; I243-L253 HydrophobicContact CG2-CD1 4.17Å; I243-L253 HydrophobicContact CG2-CD2 4.32Å; L253-V256 HydrophobicContact CB-CG1 4.12Å; L253-V256 HydrophobicContact CD1-CG1 4.36Å; L253-V256 HydrophobicContact CD2-CG1 4.28Å; L253-V256 HydrophobicContact CG-CG1 4.49Å; L253-M261 HydrophobicContact CD1-CE 3.99Å; L253-Y264 HydrophobicContact CD1-CD2 4.03Å; L253-Y264 HydrophobicContact CD1-CE2 4.18Å; L253-Y264 HydrophobicContact CD2-CE2 3.87Å; L253-T311 HydrophobicContact CB-CG2 3.93Å; L253-T311 WeakPolarHBondContact O-CB 3.34Å; L253-T311 PolarHBondContact O-OG1 2.91Å
254D97.7Very high96.3Very high93 Ų9369.9 Ų69.950%0.49737%0.372SS..SBendtrans-86.1-74.9175-62.8-44.6000110.1K240 T311 H312K240-D254 WeakPolarHBondContact CD-OD1 3.5Å; K240-D254 VanDerWaalsContact CE-OD1 3.3Å; K240-D254 WeakPolarHBondContact CE-OD1 3.49Å; K240-D254 IonicContact NZ-OD1 2.67Å; K240-D254 PolarHBondContact NZ-OD1 3.08Å; D254-T311 CarbonylContact O-C 3.51Å; D254-T311 VanDerWaalsContact O-CA 3.3Å; D254-T311 WeakPolarHBondContact O-CA 3.24Å; D254-H312 PolarHBondContact O-N 2.98Å
255R98Very high96.4Very high167 Ų16769.6 Ų69.663%0.6337%0.371SS*.EExtended strand (participates in β ladder)trans-124.2128177.9-165.6170.6-170.1164.93.4109.9H312 I314R255-H312 CarbonylContact C-O 3.6Å; R255-H312 WeakPolarHBondContact CA-O 3.22Å; R255-H312 HydrophobicContact CB-CB 4.39Å; R255-H312 HydrophobicContact CG-CB 4.05Å; R255-I314 HydrophobicContact CG-CD1 4.23Å; R255-I314 HydrophobicContact CG-CG1 4.17Å; R255-I314 VanDerWaalsContact NE-CD1 3.29Å
256V97.7Very high96.7Very high17 Ų1771.2 Ų71.210%0.10338%0.38CS..EExtended strand (participates in β ladder)trans-139.3149.4-177.2-66.10000110.3L253 T260 M261 T311 H312 I313 I314L253-V256 HydrophobicContact CB-CG1 4.12Å; L253-V256 HydrophobicContact CD1-CG1 4.36Å; L253-V256 HydrophobicContact CD2-CG1 4.28Å; L253-V256 HydrophobicContact CG-CG1 4.49Å; V256-T260 HydrophobicContact CB-CG2 4.37Å; V256-T260 HydrophobicContact CG1-CG2 4.31Å; V256-M261 HydrophobicContact CG2-CB 4.4Å; V256-M261 HydrophobicContact CG2-CE 3.55Å; V256-T311 HydrophobicContact CG2-CG2 4.33Å; V256-H312 PolarHBondContact N-O 3.4Å; V256-I313 HydrophobicContact CG2-CG1 4.11Å; V256-I313 HydrophobicContact CG2-CG2 4.49Å; V256-I313 VanDerWaalsContact O-CA 3.31Å; V256-I313 WeakPolarHBondContact O-CA 3.42Å; V256-I314 PolarHBondContact O-N 2.95Å
257D97.1Very high97.1Very high43 Ų4372.7 Ų72.723%0.2337%0.369CS..EExtended strand (participates in β ladder)trans-89.416917465.99.3000112.1A259 T260 M261 I314 T316D257-A259 VanDerWaalsContact C-N 3.29Å; D257-A259 PolarHBondContact O-N 3.28Å; D257-T260 PolarHBondContact O-N 3.49Å; D257-T260 WeakPolarHBondContact OD1-CA 3.46Å; D257-T260 WeakPolarHBondContact OD1-CB 3.5Å; D257-T260 PolarHBondContact OD1-N 2.96Å; D257-T260 PolarHBondContact OD1-OG1 3.26Å; D257-M261 WeakPolarHBondContact O-CB 3.24Å; D257-M261 PolarHBondContact O-N 2.89Å; D257-I314 WeakPolarHBondContact CA-O 3.18Å; D257-T316 HydrophobicContact CB-CG2 4.02Å; D257-T316 WeakPolarHBondContact CB-OG1 3.3Å
258I97.1Very high97.2Very high29 Ų2969.7 Ų69.715%0.14937%0.373CS..Hα-helixtrans-54.4-46.7178.1-61.5173.5000110.5T260 M261 T262 L283 L286 I314 K315I258-T260 PolarHBondContact O-N 2.95Å; I258-M261 PolarHBondContact O-N 2.88Å; I258-T262 WeakPolarHBondContact O-CB 3.24Å; I258-T262 PolarHBondContact O-N 2.7Å; I258-T262 PolarHBondContact O-OG1 3.12Å; I258-L283 HydrophobicContact CG2-CD2 3.95Å; I258-L286 HydrophobicContact CD1-CB 3.77Å; I258-L286 HydrophobicContact CG1-CB 4.1Å; I258-L286 HydrophobicContact CG1-CD1 4.05Å; I258-I314 PolarHBondContact N-O 2.86Å; I258-K315 HydrophobicContact CD1-CB 4.24Å; I258-K315 HydrophobicContact CD1-CG 4.14Å
259A96.6Very high97.3Very high69 Ų6964.5 Ų64.557%0.5734%0.336SS*.Hα-helixtrans-61.9-44.7-176.400000112.2D257 R263D257-A259 VanDerWaalsContact C-N 3.29Å; D257-A259 PolarHBondContact O-N 3.28Å; A259-R263 WeakPolarHBondContact O-CB 3.43Å; A259-R263 PolarHBondContact O-N 2.98Å
260T97.7Very high97.3Very high38 Ų3860.3 Ų60.323%0.23332%0.316CS..Hα-helixtrans-65.3-45.1177.5-62.50000111.2V256 D257 I258 R263 Y264V256-T260 HydrophobicContact CB-CG2 4.37Å; V256-T260 HydrophobicContact CG1-CG2 4.31Å; D257-T260 PolarHBondContact O-N 3.49Å; D257-T260 WeakPolarHBondContact OD1-CA 3.46Å; D257-T260 WeakPolarHBondContact OD1-CB 3.5Å; D257-T260 PolarHBondContact OD1-N 2.96Å; D257-T260 PolarHBondContact OD1-OG1 3.26Å; I258-T260 PolarHBondContact O-N 2.95Å; T260-R263 PolarHBondContact O-N 3.11Å; T260-Y264 HydrophobicContact CG2-CD2 3.83Å; T260-Y264 HydrophobicContact CG2-CE2 3.29Å; T260-Y264 WeakPolarHBondContact O-CD2 3.4Å; T260-Y264 PolarHBondContact O-N 2.85Å
261M97.8Very high96.9Very high0 Ų058.6 Ų58.60%031%0.313CS..Hα-helixtrans-66-40.9179.7-175.159.683.900111.8L253 V256 D257 I258 R263 Y264 M265 F270 I279 L283 T311 I313L253-M261 HydrophobicContact CD1-CE 3.99Å; V256-M261 HydrophobicContact CG2-CB 4.4Å; V256-M261 HydrophobicContact CG2-CE 3.55Å; D257-M261 WeakPolarHBondContact O-CB 3.24Å; D257-M261 PolarHBondContact O-N 2.89Å; I258-M261 PolarHBondContact O-N 2.88Å; M261-R263 PolarHBondContact O-N 3.21Å; M261-Y264 PolarHBondContact O-N 2.9Å; M261-M265 WeakPolarHBondContact O-CB 3.43Å; M261-M265 PolarHBondContact O-N 3.08Å; M261-F270 HydrophobicContact SD-CE2 3.58Å; M261-F270 VanDerWaalsContact SD-CE2 3.58Å; M261-F270 HydrophobicContact SD-CZ 3.52Å; M261-F270 VanDerWaalsContact SD-CZ 3.52Å; M261-I279 HydrophobicContact CE-CD1 3.98Å; M261-I279 HydrophobicContact CG-CG2 3.68Å; M261-I279 HydrophobicContact SD-CD1 3.86Å; M261-I279 HydrophobicContact SD-CG1 4.32Å; M261-I279 HydrophobicContact SD-CG2 3.85Å; M261-L283 HydrophobicContact CB-CD2 4.05Å; M261-L283 HydrophobicContact CG-CD2 4.02Å; M261-L283 HydrophobicContact CG-CG 4.43Å; M261-T311 HydrophobicContact CE-CG2 4.3Å; M261-I313 HydrophobicContact CB-CG2 4.21Å; M261-I313 HydrophobicContact CE-CD1 3.59Å; M261-I313 HydrophobicContact CE-CG1 3.68Å; M261-I313 HydrophobicContact CG-CD1 4.2Å; M261-I313 HydrophobicContact CG-CG2 4.42Å
262T97.5Very high96.1Very high31 Ų3158.7 Ų58.719%0.1932%0.323CS..Hα-helixtrans-61-43173.9-64.80000111.6I258 M265 Q266I258-T262 WeakPolarHBondContact O-CB 3.24Å; I258-T262 PolarHBondContact O-N 2.7Å; I258-T262 PolarHBondContact O-OG1 3.12Å; T262-M265 WeakPolarHBondContact O-CB 3.42Å; T262-M265 PolarHBondContact O-N 3.14Å; T262-Q266 WeakPolarHBondContact O-CG 3.24Å; T262-Q266 PolarHBondContact O-N 3.29Å
263R98.1Very high95.1Very high98 Ų9860.3 Ų60.337%0.3734%0.344SS..Hα-helixtrans-60.3-48.3174.8-179.4178.856.969.96.3111.4A259 T260 M261 M265 Q266 E267A259-R263 WeakPolarHBondContact O-CB 3.43Å; A259-R263 PolarHBondContact O-N 2.98Å; T260-R263 PolarHBondContact O-N 3.11Å; M261-R263 PolarHBondContact O-N 3.21Å; R263-M265 VanDerWaalsContact C-N 3.27Å; R263-M265 PolarHBondContact O-N 2.98Å; R263-Q266 PolarHBondContact O-N 2.83Å; R263-Q266 VanDerWaalsContact O-N 3.13Å; R263-E267 WeakPolarHBondContact CD-OE1 3.38Å; R263-E267 HydrophobicContact CG-CG 4.41Å; R263-E267 WeakPolarHBondContact CG-OE1 3.42Å; R263-E267 IonicContact CZ-OE1 3.66Å; R263-E267 VanDerWaalsContact NH1-CD 3.32Å; R263-E267 IonicContact NH1-OE1 3.59Å; R263-E267 PolarHBondContact NH1-OE1 3.29Å; R263-E267 IonicContact NH1-OE2 3.39Å; R263-E267 PolarHBondContact NH1-OE2 3.01Å; R263-E267 VanDerWaalsContact NH1-OE2 3.1Å; R263-E267 WeakPolarHBondContact O-CG 3.27Å; R263-E267 PolarHBondContact O-N 3.22Å
264Y98.1Very high94.3Very high30 Ų3063 Ų6312%0.11836%0.363CS..Hα-helixtrans-62.3-34.3178-69-40.1000113.3I243 L253 T260 M261 E267 G268 H269I243-Y264 HydrophobicContact CD1-CD1 4.4Å; I243-Y264 HydrophobicContact CD1-CE1 3.72Å; I243-Y264 HydrophobicContact CG2-CD1 3.78Å; I243-Y264 HydrophobicContact CG2-CD2 3.84Å; I243-Y264 HydrophobicContact CG2-CE1 4.08Å; I243-Y264 HydrophobicContact CG2-CE2 4.15Å; I243-Y264 HydrophobicContact CG2-CG 3.66Å; L253-Y264 HydrophobicContact CD1-CD2 4.03Å; L253-Y264 HydrophobicContact CD1-CE2 4.18Å; L253-Y264 HydrophobicContact CD2-CE2 3.87Å; T260-Y264 HydrophobicContact CG2-CD2 3.83Å; T260-Y264 HydrophobicContact CG2-CE2 3.29Å; T260-Y264 WeakPolarHBondContact O-CD2 3.4Å; T260-Y264 PolarHBondContact O-N 2.85Å; M261-Y264 PolarHBondContact O-N 2.9Å; Y264-E267 WeakPolarHBondContact CD1-OE2 3.24Å; Y264-E267 PolarHBondContact O-N 3.34Å; Y264-G268 PolarHBondContact O-N 3Å; Y264-H269 AromaticContact CD1-CD2 3.7Å; Y264-H269 PolarHBondContact O-N 2.94Å
265M97.2Very high94Very high51 Ų5159.6 Ų59.625%0.25135%0.345SS..Hα-helixtrans-63.4-45.9173-175.1179.568.300111.4M261 T262 R263 E267 G268 F270 L276 I279 I280 L283M261-M265 WeakPolarHBondContact O-CB 3.43Å; M261-M265 PolarHBondContact O-N 3.08Å; T262-M265 WeakPolarHBondContact O-CB 3.42Å; T262-M265 PolarHBondContact O-N 3.14Å; R263-M265 VanDerWaalsContact C-N 3.27Å; R263-M265 PolarHBondContact O-N 2.98Å; M265-E267 VanDerWaalsContact C-N 3.32Å; M265-E267 PolarHBondContact O-N 3.35Å; M265-G268 PolarHBondContact O-N 3.32Å; M265-G268 VanDerWaalsContact O-N 3.12Å; M265-F270 HydrophobicContact CB-CD2 4.1Å; M265-F270 HydrophobicContact CB-CE2 4.24Å; M265-F270 HydrophobicContact CG-CD2 4.5Å; M265-L276 HydrophobicContact CG-CD1 3.54Å; M265-L276 HydrophobicContact SD-CD1 3.97Å; M265-I279 HydrophobicContact CB-CG2 4.26Å; M265-I279 HydrophobicContact CG-CG2 4.42Å; M265-I279 HydrophobicContact SD-CG2 4.12Å; M265-I280 HydrophobicContact SD-CG1 3.71Å; M265-L283 HydrophobicContact CE-CD1 3.78Å; M265-L283 HydrophobicContact SD-CD1 3.87Å
266Q97.3Very high93.7Very high153 Ų15353.6 Ų53.672%0.71533%0.325SS*.Hα-helixtrans-67.1-31.3177.6-69.4172.1-3.800113T262 R263 G268T262-Q266 WeakPolarHBondContact O-CG 3.24Å; T262-Q266 PolarHBondContact O-N 3.29Å; R263-Q266 PolarHBondContact O-N 2.83Å; R263-Q266 VanDerWaalsContact O-N 3.13Å; Q266-G268 PolarHBondContact O-N 2.93Å
267E97.2Very high93.3Very high97 Ų9754.4 Ų54.445%0.45333%0.33SS..THydrogen-bonded Turntrans-71.7-3.7173.3-71.7168.9-176.400113R263 Y264 M265 H269R263-E267 WeakPolarHBondContact CD-OE1 3.38Å; R263-E267 HydrophobicContact CG-CG 4.41Å; R263-E267 WeakPolarHBondContact CG-OE1 3.42Å; R263-E267 IonicContact CZ-OE1 3.66Å; R263-E267 VanDerWaalsContact NH1-CD 3.32Å; R263-E267 IonicContact NH1-OE1 3.59Å; R263-E267 PolarHBondContact NH1-OE1 3.29Å; R263-E267 IonicContact NH1-OE2 3.39Å; R263-E267 PolarHBondContact NH1-OE2 3.01Å; R263-E267 VanDerWaalsContact NH1-OE2 3.1Å; R263-E267 WeakPolarHBondContact O-CG 3.27Å; R263-E267 PolarHBondContact O-N 3.22Å; Y264-E267 WeakPolarHBondContact CD1-OE2 3.24Å; Y264-E267 PolarHBondContact O-N 3.34Å; M265-E267 VanDerWaalsContact C-N 3.32Å; M265-E267 PolarHBondContact O-N 3.35Å; E267-H269 IonicContact OE2-CD2 2.89Å; E267-H269 IonicContact OE2-NE2 2.7Å; E267-H269 PolarHBondContact OE2-NE2 2.91Å
268G95.4Very high93.1Very high59 Ų5953.6 Ų53.661%0.60833%0.325SS*.THydrogen-bonded Turntrans75.826.9174.600000113.9Y264 M265 Q266 F270Y264-G268 PolarHBondContact O-N 3Å; M265-G268 PolarHBondContact O-N 3.32Å; M265-G268 VanDerWaalsContact O-N 3.12Å; Q266-G268 PolarHBondContact O-N 2.93Å; G268-F270 VanDerWaalsContact C-N 3.31Å; G268-F270 PolarHBondContact O-N 3.04Å
269H97Very high93.1Very high33 Ų3352.2 Ų52.215%0.15332%0.318CS..  trans-72.5-20.8179.9-73.7-48.1000114.6I243 H244 Y264 E267I243-H269 HydrophobicContact CB-CB 4.29Å; I243-H269 HydrophobicContact CG2-CB 4.05Å; H244-H269 AromaticContact CE1-CE1 3.28Å; H244-H269 PolarHBondContact CE1-CE1 2.92Å; H244-H269 AromaticContact ND1-CE1 3.42Å; H244-H269 PolarHBondContact ND1-CE1 3.48Å; H244-H269 AromaticContact ND1-ND1 3.85Å; H244-H269 AromaticContact NE2-CE1 3.89Å; Y264-H269 AromaticContact CD1-CD2 3.7Å; Y264-H269 PolarHBondContact O-N 2.94Å; E267-H269 IonicContact OE2-CD2 2.89Å; E267-H269 IonicContact OE2-NE2 2.7Å; E267-H269 PolarHBondContact OE2-NE2 2.91Å
270F95.3Very high93Very high11 Ų1152.8 Ų52.85%0.04831%0.31CS..SBendtrans-109.2123.5-171.7-51.3-52.3000111.5V241 I243 M261 M265 G268 M275 L276 I279V241-F270 HydrophobicContact CG1-CD1 4.16Å; V241-F270 HydrophobicContact CG1-CE1 3.43Å; V241-F270 VanDerWaalsContact CG1-CE1 3.43Å; V241-F270 HydrophobicContact CG1-CZ 4.05Å; I243-F270 HydrophobicContact CG2-CE1 4.5Å; I243-F270 HydrophobicContact CG2-CZ 4.45Å; M261-F270 HydrophobicContact SD-CE2 3.58Å; M261-F270 VanDerWaalsContact SD-CE2 3.58Å; M261-F270 HydrophobicContact SD-CZ 3.52Å; M261-F270 VanDerWaalsContact SD-CZ 3.52Å; M265-F270 HydrophobicContact CB-CD2 4.1Å; M265-F270 HydrophobicContact CB-CE2 4.24Å; M265-F270 HydrophobicContact CG-CD2 4.5Å; G268-F270 VanDerWaalsContact C-N 3.31Å; G268-F270 PolarHBondContact O-N 3.04Å; F270-M275 HydrophobicContact CB-CB 4.19Å; F270-M275 HydrophobicContact CB-CG 4.26Å; F270-M275 HydrophobicContact CD1-CB 4.49Å; F270-M275 HydrophobicContact CD1-CG 3.82Å; F270-M275 HydrophobicContact CG-CG 4.25Å; F270-L276 HydrophobicContact CB-CB 4.03Å; F270-L276 HydrophobicContact CB-CD1 4.33Å; F270-I279 HydrophobicContact CB-CG1 4.45Å; F270-I279 HydrophobicContact CD1-CG1 4.26Å; F270-I279 HydrophobicContact CD2-CB 4.1Å; F270-I279 HydrophobicContact CD2-CG1 3.62Å; F270-I279 HydrophobicContact CD2-CG2 4.02Å; F270-I279 HydrophobicContact CE1-CG1 4.48Å; F270-I279 HydrophobicContact CE2-CB 4.43Å; F270-I279 HydrophobicContact CE2-CG1 3.86Å; F270-I279 HydrophobicContact CE2-CG2 3.99Å; F270-I279 HydrophobicContact CG-CG1 3.84Å; F270-I279 HydrophobicContact CZ-CG1 4.29Å
271P87.7Confident92.9Very high57 Ų5751.1 Ų51.137%0.3730%0.301SS..  trans-69.3141.8-179.6-21.432.6000113.5G273 S274 M275 L276P271-G273 VanDerWaalsContact C-N 3.33Å; P271-G273 PolarHBondContact O-N 3.16Å; P271-S274 PolarHBondContact O-N 3.34Å; P271-M275 PolarHBondContact O-N 3.29Å; P271-L276 VanDerWaalsContact O-CB 3.23Å; P271-L276 WeakPolarHBondContact O-CB 3.42Å; P271-L276 PolarHBondContact O-N 3.33Å
272P81.4Confident92.8Very high106 Ų10651.1 Ų51.169%0.68830%0.301SS*.THydrogen-bonded Turntrans-64.3-29-175.124.4-34000114.9L276 P277P272-L276 HydrophobicContact CB-CD2 4.17Å; P272-P277 WeakPolarHBondContact O-CD 3.43Å; P272-P277 VanDerWaalsContact O-CG 3.25Å; P272-P277 WeakPolarHBondContact O-CG 2.96Å
273G76.6Confident92.8Very high80 Ų8050 Ų5083%0.82529%0.293SS*.THydrogen-bonded Turntrans-88.4-1.4-177.900000115.4P271P271-G273 VanDerWaalsContact C-N 3.33Å; P271-G273 PolarHBondContact O-N 3.16Å
274S81.7Confident92.6Very high61 Ų6147.9 Ų47.943%0.42729%0.292SS..THydrogen-bonded Turntrans-143.1-71.7-171.560.30000113.7P271 K278P271-S274 PolarHBondContact O-N 3.34Å; S274-K278 PolarHBondContact O-NZ 3.01Å
275M91.5Very high92.6Very high21 Ų2146.7 Ų46.710%0.10329%0.287CS..THydrogen-bonded Turntrans-90.8-36.7-171.5-16858.573.300112.5T236 V238 V241 F270 P271 K278 I279T236-M275 HydrophobicContact CG2-CE 4.42Å; V238-M275 HydrophobicContact CG2-CE 3.76Å; V241-M275 HydrophobicContact CG1-CG 4.33Å; V241-M275 HydrophobicContact CG1-SD 4.39Å; V241-M275 HydrophobicContact CG2-CE 4.28Å; V241-M275 HydrophobicContact CG2-SD 3.94Å; F270-M275 HydrophobicContact CB-CB 4.19Å; F270-M275 HydrophobicContact CB-CG 4.26Å; F270-M275 HydrophobicContact CD1-CB 4.49Å; F270-M275 HydrophobicContact CD1-CG 3.82Å; F270-M275 HydrophobicContact CG-CG 4.25Å; P271-M275 PolarHBondContact O-N 3.29Å; M275-K278 WeakPolarHBondContact O-CB 3.44Å; M275-K278 PolarHBondContact O-N 3.09Å; M275-K278 HydrophobicContact SD-CB 4.39Å; M275-K278 HydrophobicContact SD-CD 4.11Å; M275-I279 HydrophobicContact CG-CD1 4.46Å; M275-I279 HydrophobicContact CG-CG1 4.16Å; M275-I279 PolarHBondContact O-N 2.91Å; M275-I279 VanDerWaalsContact O-N 3.07Å; M275-I279 HydrophobicContact SD-CD1 4.44Å
276L92.3Very high92.6Very high41 Ų4144.2 Ų44.222%0.21528%0.275CS..Hα-helixtrans-57.1-45.1-177.2179.164.1000113.1M265 F270 P271 P272 K278 I279 I280M265-L276 HydrophobicContact CG-CD1 3.54Å; M265-L276 HydrophobicContact SD-CD1 3.97Å; F270-L276 HydrophobicContact CB-CB 4.03Å; F270-L276 HydrophobicContact CB-CD1 4.33Å; P271-L276 VanDerWaalsContact O-CB 3.23Å; P271-L276 WeakPolarHBondContact O-CB 3.42Å; P271-L276 PolarHBondContact O-N 3.33Å; P272-L276 HydrophobicContact CB-CD2 4.17Å; L276-K278 PolarHBondContact O-N 2.88Å; L276-I279 PolarHBondContact O-N 2.71Å; L276-I279 VanDerWaalsContact O-N 3.12Å; L276-I280 HydrophobicContact CD1-CD1 4.03Å; L276-I280 HydrophobicContact CD1-CG1 4.13Å; L276-I280 HydrophobicContact CD2-CD1 4.45Å; L276-I280 HydrophobicContact CG-CD1 3.83Å; L276-I280 HydrophobicContact CG-CG1 4.36Å; L276-I280 WeakPolarHBondContact O-CG1 3.37Å; L276-I280 PolarHBondContact O-N 3.36Å
277P89.5Confident92.4Very high34 Ų3442.6 Ų42.622%0.22127%0.267CS..Hα-helixtrans-59.6-33.7177.5-24.736000112.9P272 A281P272-P277 WeakPolarHBondContact O-CD 3.43Å; P272-P277 VanDerWaalsContact O-CG 3.25Å; P272-P277 WeakPolarHBondContact O-CG 2.96Å; P277-A281 VanDerWaalsContact O-CB 3.29Å; P277-A281 WeakPolarHBondContact O-CB 3.48Å; P277-A281 PolarHBondContact O-N 3.06Å
278K92.9Very high92.1Very high26 Ų2642.9 Ų42.911%0.11327%0.269CS..Hα-helixtrans-68.5-43.4177.1-63.9168.6178.847.40110.8D217 I234 S274 M275 L276 A281 S282 I295D217-K278 WeakPolarHBondContact OD2-CG 3.44Å; D217-K278 IonicContact OD2-NZ 3.78Å; D217-K278 PolarHBondContact OD2-NZ 2.87Å; I234-K278 HydrophobicContact CD1-CB 4.23Å; I234-K278 HydrophobicContact CG2-CB 4.31Å; I234-K278 HydrophobicContact CG2-CD 3.89Å; I234-K278 HydrophobicContact CG2-CG 3.77Å; S274-K278 PolarHBondContact O-NZ 3.01Å; M275-K278 WeakPolarHBondContact O-CB 3.44Å; M275-K278 PolarHBondContact O-N 3.09Å; M275-K278 HydrophobicContact SD-CB 4.39Å; M275-K278 HydrophobicContact SD-CD 4.11Å; L276-K278 PolarHBondContact O-N 2.88Å; K278-A281 PolarHBondContact O-N 3.22Å; K278-S282 WeakPolarHBondContact O-CB 3.44Å; K278-S282 PolarHBondContact O-N 3.3Å; K278-S282 PolarHBondContact O-OG 3.05Å; K278-I295 HydrophobicContact CB-CD1 4.42Å
279I96.4Very high91.9Very high0 Ų042.6 Ų42.60%027%0.266CS..Hα-helixtrans-65-44.4177.8-59.4-48.7000110.8V241 M261 M265 F270 M275 L276 A281 S282 L283 I295 I313V241-I279 HydrophobicContact CG1-CD1 4.29Å; V241-I279 HydrophobicContact CG2-CD1 4.36Å; M261-I279 HydrophobicContact CE-CD1 3.98Å; M261-I279 HydrophobicContact CG-CG2 3.68Å; M261-I279 HydrophobicContact SD-CD1 3.86Å; M261-I279 HydrophobicContact SD-CG1 4.32Å; M261-I279 HydrophobicContact SD-CG2 3.85Å; M265-I279 HydrophobicContact CB-CG2 4.26Å; M265-I279 HydrophobicContact CG-CG2 4.42Å; M265-I279 HydrophobicContact SD-CG2 4.12Å; F270-I279 HydrophobicContact CB-CG1 4.45Å; F270-I279 HydrophobicContact CD1-CG1 4.26Å; F270-I279 HydrophobicContact CD2-CB 4.1Å; F270-I279 HydrophobicContact CD2-CG1 3.62Å; F270-I279 HydrophobicContact CD2-CG2 4.02Å; F270-I279 HydrophobicContact CE1-CG1 4.48Å; F270-I279 HydrophobicContact CE2-CB 4.43Å; F270-I279 HydrophobicContact CE2-CG1 3.86Å; F270-I279 HydrophobicContact CE2-CG2 3.99Å; F270-I279 HydrophobicContact CG-CG1 3.84Å; F270-I279 HydrophobicContact CZ-CG1 4.29Å; M275-I279 HydrophobicContact CG-CD1 4.46Å; M275-I279 HydrophobicContact CG-CG1 4.16Å; M275-I279 PolarHBondContact O-N 2.91Å; M275-I279 VanDerWaalsContact O-N 3.07Å; M275-I279 HydrophobicContact SD-CD1 4.44Å; L276-I279 PolarHBondContact O-N 2.71Å; L276-I279 VanDerWaalsContact O-N 3.12Å; I279-A281 PolarHBondContact O-N 2.89Å; I279-S282 WeakPolarHBondContact O-CB 3.33Å; I279-S282 PolarHBondContact O-N 3.32Å; I279-L283 HydrophobicContact CG2-CD1 3.9Å; I279-L283 HydrophobicContact CG2-CG 4.29Å; I279-L283 VanDerWaalsContact O-CG 3.32Å; I279-L283 WeakPolarHBondContact O-CG 3.41Å; I279-L283 PolarHBondContact O-N 2.92Å; I279-I295 HydrophobicContact CD1-CD1 3.74Å; I279-I313 HydrophobicContact CD1-CD1 4.39Å
280I94.7Very high91.9Very high81 Ų8141.2 Ų41.242%0.41526%0.26SS..Hα-helixtrans-58.3-51.6175.1-67.3170.2000110.4M265 L276 S282 L283 T284M265-I280 HydrophobicContact SD-CG1 3.71Å; L276-I280 HydrophobicContact CD1-CD1 4.03Å; L276-I280 HydrophobicContact CD1-CG1 4.13Å; L276-I280 HydrophobicContact CD2-CD1 4.45Å; L276-I280 HydrophobicContact CG-CD1 3.83Å; L276-I280 HydrophobicContact CG-CG1 4.36Å; L276-I280 WeakPolarHBondContact O-CG1 3.37Å; L276-I280 PolarHBondContact O-N 3.36Å; I280-S282 VanDerWaalsContact C-N 3.25Å; I280-S282 PolarHBondContact O-N 3.19Å; I280-L283 PolarHBondContact O-N 2.77Å; I280-T284 WeakPolarHBondContact O-CB 3.22Å; I280-T284 PolarHBondContact O-N 3.33Å; I280-T284 PolarHBondContact O-OG1 2.68Å
281A94.5Very high91.9Very high4 Ų445.6 Ų45.63%0.03328%0.279CS..Hα-helixtrans-58.2-38.3178.100000112.4D217 A221 I234 P277 K278 I279 F285D217-A281 HydrophobicContact CB-CB 4.43Å; A221-A281 HydrophobicContact CB-CB 3.93Å; A221-A281 WeakPolarHBondContact CB-O 3.39Å; I234-A281 HydrophobicContact CD1-CB 4.5Å; P277-A281 VanDerWaalsContact O-CB 3.29Å; P277-A281 WeakPolarHBondContact O-CB 3.48Å; P277-A281 PolarHBondContact O-N 3.06Å; K278-A281 PolarHBondContact O-N 3.22Å; I279-A281 PolarHBondContact O-N 2.89Å; A281-F285 WeakPolarHBondContact O-CB 3.4Å; A281-F285 PolarHBondContact O-N 2.97Å; A281-F285 VanDerWaalsContact O-N 3.1Å
282S96.7Very high92.4Very high0 Ų044.7 Ų44.70%027%0.27CS..Hα-helixtrans-64.8-50.2178.1-56.10000112K278 I279 I280 F285 L286 V293K278-S282 WeakPolarHBondContact O-CB 3.44Å; K278-S282 PolarHBondContact O-N 3.3Å; K278-S282 PolarHBondContact O-OG 3.05Å; I279-S282 WeakPolarHBondContact O-CB 3.33Å; I279-S282 PolarHBondContact O-N 3.32Å; I280-S282 VanDerWaalsContact C-N 3.25Å; I280-S282 PolarHBondContact O-N 3.19Å; S282-F285 PolarHBondContact O-N 2.77Å; S282-L286 WeakPolarHBondContact O-CG 3.11Å; S282-L286 PolarHBondContact O-N 3.3Å; S282-L286 VanDerWaalsContact O-N 3.09Å; S282-V293 WeakPolarHBondContact OG-CG1 3.5Å
283L96.7Very high93.2Very high6 Ų639.6 Ų39.63%0.03124%0.237CC..Hα-helixtrans-63.1-45.3-179.9-66.6172.6000110.6I258 M261 M265 I279 I280 F285 L286 E287I258-L283 HydrophobicContact CG2-CD2 3.95Å; M261-L283 HydrophobicContact CB-CD2 4.05Å; M261-L283 HydrophobicContact CG-CD2 4.02Å; M261-L283 HydrophobicContact CG-CG 4.43Å; M265-L283 HydrophobicContact CE-CD1 3.78Å; M265-L283 HydrophobicContact SD-CD1 3.87Å; I279-L283 HydrophobicContact CG2-CD1 3.9Å; I279-L283 HydrophobicContact CG2-CG 4.29Å; I279-L283 VanDerWaalsContact O-CG 3.32Å; I279-L283 WeakPolarHBondContact O-CG 3.41Å; I279-L283 PolarHBondContact O-N 2.92Å; I280-L283 PolarHBondContact O-N 2.77Å; L283-F285 VanDerWaalsContact C-N 3.32Å; L283-F285 PolarHBondContact O-N 3.26Å; L283-L286 PolarHBondContact O-N 2.97Å; L283-E287 WeakPolarHBondContact O-CB 3.35Å; L283-E287 VanDerWaalsContact O-CG 3.32Å; L283-E287 WeakPolarHBondContact O-CG 3.49Å; L283-E287 PolarHBondContact O-N 3.26Å
284T94.6Very high94.2Very high55 Ų5536 Ų3634%0.33720%0.199SC..Hα-helixtrans-57.5-42.3176.6-61.50000112.4I280 Q288I280-T284 WeakPolarHBondContact O-CB 3.22Å; I280-T284 PolarHBondContact O-N 3.33Å; I280-T284 PolarHBondContact O-OG1 2.68Å; T284-Q288 WeakPolarHBondContact O-CB 3.49Å; T284-Q288 VanDerWaalsContact O-CG 3.32Å; T284-Q288 WeakPolarHBondContact O-CG 3.13Å; T284-Q288 PolarHBondContact O-N 2.9Å
285F97.3Very high94.9Very high4 Ų433 Ų332%0.01818%0.178CC..Hα-helixtrans-64.7-45.2177.1169.9-103.6000112.3A221 A224 A229 L232 A281 S282 L283 Q288 G289 G290 E292 V293A221-F285 HydrophobicContact CB-CB 4.35Å; A224-F285 HydrophobicContact CB-CD2 3.76Å; A224-F285 HydrophobicContact CB-CE2 3.57Å; A224-F285 HydrophobicContact CB-CZ 4.47Å; A229-F285 HydrophobicContact CB-CE2 4.42Å; A229-F285 WeakPolarHBondContact O-CZ 3.31Å; L232-F285 HydrophobicContact CB-CD1 3.71Å; L232-F285 HydrophobicContact CB-CD2 4.42Å; L232-F285 HydrophobicContact CB-CE1 3.64Å; L232-F285 HydrophobicContact CB-CE2 4.4Å; L232-F285 HydrophobicContact CB-CG 4.09Å; L232-F285 HydrophobicContact CB-CZ 4Å; L232-F285 HydrophobicContact CD2-CB 4.02Å; L232-F285 HydrophobicContact CD2-CD1 4.28Å; L232-F285 HydrophobicContact CD2-CG 4.07Å; A281-F285 WeakPolarHBondContact O-CB 3.4Å; A281-F285 PolarHBondContact O-N 2.97Å; A281-F285 VanDerWaalsContact O-N 3.1Å; S282-F285 PolarHBondContact O-N 2.77Å; L283-F285 VanDerWaalsContact C-N 3.32Å; L283-F285 PolarHBondContact O-N 3.26Å; F285-Q288 PolarHBondContact O-N 2.71Å; F285-G289 PolarHBondContact O-N 3.04Å; F285-G290 VanDerWaalsContact CE1-CA 3.5Å; F285-G290 VanDerWaalsContact CZ-CA 3.46Å; F285-G290 PolarHBondContact O-N 3.4Å; F285-E292 WeakPolarHBondContact CE1-O 3.3Å; F285-V293 HydrophobicContact CD1-CG2 3.52Å; F285-V293 HydrophobicContact CE1-CG2 4.16Å; F285-V293 HydrophobicContact CG-CG2 4.48Å
286L97.1Very high95.1Very high0 Ų032 Ų320%017%0.174CC..Hα-helixtrans-68.8-41.7-178.2-69.5169.6000112.9I258 S282 L283 Q288 G289 V293 I313I258-L286 HydrophobicContact CD1-CB 3.77Å; I258-L286 HydrophobicContact CG1-CB 4.1Å; I258-L286 HydrophobicContact CG1-CD1 4.05Å; S282-L286 WeakPolarHBondContact O-CG 3.11Å; S282-L286 PolarHBondContact O-N 3.3Å; S282-L286 VanDerWaalsContact O-N 3.09Å; L283-L286 PolarHBondContact O-N 2.97Å; L286-Q288 PolarHBondContact O-N 3.18Å; L286-G289 PolarHBondContact O-N 3.42Å; L286-V293 HydrophobicContact CD1-CB 4.47Å; L286-V293 HydrophobicContact CD1-CG2 3.91Å; L286-V293 HydrophobicContact CD2-CG2 4.01Å; L286-V293 HydrophobicContact CG-CG2 3.7Å; L286-I313 HydrophobicContact CD1-CB 3.82Å; L286-I313 HydrophobicContact CD1-CG2 3.38Å
287E94.1Very high95.1Very high119 Ų11930.4 Ų30.456%0.55617%0.165SC*.Hα-helixtrans-61.1-29.1177-74.2176.8173.800111.9L283L283-E287 WeakPolarHBondContact O-CB 3.35Å; L283-E287 VanDerWaalsContact O-CG 3.32Å; L283-E287 WeakPolarHBondContact O-CG 3.49Å; L283-E287 PolarHBondContact O-N 3.26Å
288Q90.8Very high95Very high102 Ų10230.3 Ų30.348%0.47717%0.165SC..THydrogen-bonded Turntrans-98.315.1-176.3-61.2-173.816.400114.1R225 T284 F285 L286R225-Q288 HydrophobicContact CG-CB 4.48Å; T284-Q288 WeakPolarHBondContact O-CB 3.49Å; T284-Q288 VanDerWaalsContact O-CG 3.32Å; T284-Q288 WeakPolarHBondContact O-CG 3.13Å; T284-Q288 PolarHBondContact O-N 2.9Å; F285-Q288 PolarHBondContact O-N 2.71Å; L286-Q288 PolarHBondContact O-N 3.18Å
289G91.4Very high94.8Very high53 Ų5335.6 Ų35.655%0.54619%0.19SC..THydrogen-bonded Turntrans113-2.9167.300000115.6F285 L286F285-G289 PolarHBondContact O-N 3.04Å; L286-G289 PolarHBondContact O-N 3.42Å
290G96.1Very high94.6Very high4 Ų436.7 Ų36.74%0.04120%0.197CC..  trans-58.7147.7167.800000111.7F285F285-G290 VanDerWaalsContact CE1-CA 3.5Å; F285-G290 VanDerWaalsContact CZ-CA 3.46Å; F285-G290 PolarHBondContact O-N 3.4Å
291K96.3Very high94.4Very high103 Ų10333 Ų3345%0.44818%0.178SC..  trans-87.1-42.2-178.8-62.6177.8-178.4156.30112.1E3 D230 K315E3-K291 IonicContact OE1-NZ 2.9Å; E3-K291 PolarHBondContact OE1-NZ 3.12Å; D230-K291 HydrophobicContact CB-CD 4.11Å; D230-K291 WeakPolarHBondContact O-CB 3.46Å; D230-K291 PolarHBondContact O-N 3.11Å; D230-K291 WeakPolarHBondContact OD1-CE 3.37Å; D230-K291 IonicContact OD1-NZ 3.59Å; D230-K291 PolarHBondContact OD1-NZ 2.86Å; K291-K315 PolarHBondContact O-N 3.35Å
292E97.7Very high94.2Very high38 Ų3833.4 Ų33.418%0.17818%0.181CC..EExtended strand (participates in β ladder)trans-152.4143.7-170.7-178.3163-143.900112.2D230 I231 L232 F285 I294 H312 I313 I314D230-E292 PolarHBondContact O-N 2.93Å; I231-E292 WeakPolarHBondContact CA-O 3.43Å; L232-E292 PolarHBondContact N-O 3.27Å; F285-E292 WeakPolarHBondContact CE1-O 3.3Å; E292-I294 HydrophobicContact CG-CG1 4.11Å; E292-H312 IonicContact OE1-CE1 2.76Å; E292-H312 IonicContact OE1-CG 3.93Å; E292-H312 IonicContact OE1-ND1 3.67Å; E292-H312 PolarHBondContact OE1-ND1 3.33Å; E292-I313 WeakPolarHBondContact CA-O 3.49Å; E292-I314 HydrophobicContact CB-CG2 4.31Å; E292-I314 HydrophobicContact CG-CG2 3.89Å
293V98.2Very high94Very high0 Ų034.4 Ų34.40%019%0.189CC..EExtended strand (participates in β ladder)trans-118.2132.5167-177.50000109.6L232 I234 S282 F285 L286 I295 H312 I313L232-V293 HydrophobicContact CB-CG2 4.2Å; L232-V293 HydrophobicContact CD2-CG1 4.46Å; L232-V293 HydrophobicContact CD2-CG2 4.37Å; L232-V293 HydrophobicContact CG-CG1 4.42Å; L232-V293 CarbonylContact O-C 3.53Å; L232-V293 VanDerWaalsContact O-CA 3.23Å; L232-V293 WeakPolarHBondContact O-CA 3.32Å; I234-V293 HydrophobicContact CD1-CG1 4.44Å; S282-V293 WeakPolarHBondContact OG-CG1 3.5Å; F285-V293 HydrophobicContact CD1-CG2 3.52Å; F285-V293 HydrophobicContact CE1-CG2 4.16Å; F285-V293 HydrophobicContact CG-CG2 4.48Å; L286-V293 HydrophobicContact CD1-CB 4.47Å; L286-V293 HydrophobicContact CD1-CG2 3.91Å; L286-V293 HydrophobicContact CD2-CG2 4.01Å; L286-V293 HydrophobicContact CG-CG2 3.7Å; V293-I295 HydrophobicContact CG1-CG1 4.21Å; V293-H312 WeakPolarHBondContact O-CA 3.4Å; V293-I313 HydrophobicContact CB-CB 4.3Å; V293-I313 HydrophobicContact CB-CD1 4.47Å; V293-I313 PolarHBondContact N-O 3.09Å; V293-I313 PolarHBondContact O-N 2.93Å
294I97.8Very high93.9Very high3 Ų334.1 Ų34.12%0.01519%0.187CC..EExtended strand (participates in β ladder)trans-114123.7176.3-54.2176000108.5I231 L232 V233 I234 E292 T296 A304 L305 T311I231-I294 HydrophobicContact CG2-CD1 4.05Å; I231-I294 HydrophobicContact CG2-CG1 4.26Å; L232-I294 PolarHBondContact O-N 3.08Å; V233-I294 CarbonylContact C-O 3.54Å; V233-I294 WeakPolarHBondContact CA-O 3.31Å; V233-I294 HydrophobicContact CG2-CB 4.3Å; I234-I294 PolarHBondContact N-O 3.49Å; E292-I294 HydrophobicContact CG-CG1 4.11Å; I294-T296 HydrophobicContact CG2-CG2 4.38Å; I294-A304 HydrophobicContact CG2-CB 3.7Å; I294-L305 HydrophobicContact CD1-CD2 3.81Å; I294-L305 HydrophobicContact CD1-CG 4.41Å; I294-T311 WeakPolarHBondContact CA-O 3.48Å
295I97.2Very high93.8Very high0 Ų032.5 Ų32.50%018%0.176CC..EExtended strand (participates in β ladder)trans-113.1121.2173.4-56.3178.4000108.3I234 T236 V241 K278 I279 V293 T311 I313I234-I295 HydrophobicContact CB-CG1 4.38Å; I234-I295 WeakPolarHBondContact O-CA 3.34Å; T236-I295 HydrophobicContact CG2-CG2 3.67Å; V241-I295 HydrophobicContact CG2-CB 3.91Å; V241-I295 HydrophobicContact CG2-CD1 3.84Å; V241-I295 HydrophobicContact CG2-CG1 4.45Å; V241-I295 HydrophobicContact CG2-CG2 3.79Å; K278-I295 HydrophobicContact CB-CD1 4.42Å; I279-I295 HydrophobicContact CD1-CD1 3.74Å; V293-I295 HydrophobicContact CG1-CG1 4.21Å; I295-T311 PolarHBondContact N-O 2.79Å; I295-T311 PolarHBondContact O-N 2.72Å; I295-I313 HydrophobicContact CD1-CD1 4.04Å
296T95.8Very high93.6Very high0 Ų038.6 Ų38.60%020%0.199CC..EExtended strand (participates in β ladder)trans-159-176.1179.9-164.90000112I234 T235 T236 V238 E239 I294 C300 L301 A304I234-T296 PolarHBondContact O-N 2.93Å; T235-T296 CarbonylContact C-O 3.56Å; T235-T296 VanDerWaalsContact CA-O 3.26Å; T235-T296 WeakPolarHBondContact CA-O 3.47Å; T236-T296 PolarHBondContact N-O 3.33Å; V238-T296 CarbonylContact O-C 3.6Å; E239-T296 WeakPolarHBondContact O-CA 3.4Å; E239-T296 PolarHBondContact O-OG1 3.24Å; E239-T296 VanDerWaalsContact O-OG1 3.14Å; I294-T296 HydrophobicContact CG2-CG2 4.38Å; T296-C300 WeakPolarHBondContact OG1-CB 3.5Å; T296-L301 HydrophobicContact CG2-CB 4.48Å; T296-L301 HydrophobicContact CG2-CD1 4.39Å; T296-A304 HydrophobicContact CG2-CB 3.65Å
297T92.1Very high93.5Very high7 Ų741.2 Ų41.24%0.04323%0.226CC..  trans-83.6156.6169.860.30000111.9T236 E299 C300 L301T236-T297 WeakPolarHBondContact O-CA 3.49Å; T297-E299 VanDerWaalsContact C-N 3.27Å; T297-E299 WeakPolarHBondContact CB-OE1 3.26Å; T297-E299 WeakPolarHBondContact CB-OE2 3.27Å; T297-E299 WeakPolarHBondContact CG2-OE1 3.27Å; T297-E299 PolarHBondContact O-N 2.98Å; T297-E299 PolarHBondContact OG1-OE1 3.43Å; T297-C300 PolarHBondContact O-N 3.45Å; T297-C300 WeakPolarHBondContact OG1-CB 3.44Å; T297-C300 PolarHBondContact OG1-SG 3.04Å; T297-L301 PolarHBondContact O-N 3.31Å
298P87.6Confident93.6Very high32 Ų3241.2 Ų41.221%0.20823%0.226CC..THydrogen-bonded Turntrans-52.9-42177.2-26.634.7000113.8T235 L301T235-P298 HydrophobicContact CG2-CG 4.28Å; P298-L301 VanDerWaalsContact O-CB 3.27Å; P298-L301 WeakPolarHBondContact O-CB 3.36Å; P298-L301 PolarHBondContact O-N 2.95Å
299E87.8Confident93.9Very high136 Ų13637 Ų3764%0.63621%0.208SC*.THydrogen-bonded Turntrans-69.8-29.7-178.762.7-80.1-177.400113.8T297 L301T297-E299 VanDerWaalsContact C-N 3.27Å; T297-E299 WeakPolarHBondContact CB-OE1 3.26Å; T297-E299 WeakPolarHBondContact CB-OE2 3.27Å; T297-E299 WeakPolarHBondContact CG2-OE1 3.27Å; T297-E299 PolarHBondContact O-N 2.98Å; T297-E299 PolarHBondContact OG1-OE1 3.43Å; E299-L301 VanDerWaalsContact C-N 3.32Å
300C92.1Very high94.2Very high23 Ų2334.6 Ų34.616%0.15518%0.183CC..THydrogen-bonded Turntrans-86.5-4.6178.1-72.20000112.7E239 T296 T297 A303 A304 T309E239-C300 HydrophobicContact CG-CB 4.28Å; T296-C300 WeakPolarHBondContact OG1-CB 3.5Å; T297-C300 PolarHBondContact O-N 3.45Å; T297-C300 WeakPolarHBondContact OG1-CB 3.44Å; T297-C300 PolarHBondContact OG1-SG 3.04Å; C300-A303 PolarHBondContact O-N 3.5Å; C300-A303 VanDerWaalsContact O-N 3.12Å; C300-A304 WeakPolarHBondContact O-CB 3.28Å; C300-A304 PolarHBondContact O-N 2.89Å; C300-T309 HydrophobicContact CB-CG2 3.88Å
301L91Very high94.3Very high5 Ų534.4 Ų34.43%0.02618%0.181CC..Hα-helixtrans-55.2-46.4-173.117854.7000114.1V7 T36 M40 V233 T296 T297 P298 E299 A303 A304 L305V7-L301 HydrophobicContact CG1-CD2 3.71Å; V7-L301 HydrophobicContact CG2-CD2 4.45Å; T36-L301 HydrophobicContact CG2-CB 3.77Å; T36-L301 HydrophobicContact CG2-CD2 3.71Å; T36-L301 HydrophobicContact CG2-CG 3.92Å; M40-L301 HydrophobicContact SD-CD2 3.7Å; M40-L301 HydrophobicContact SD-CG 4.07Å; V233-L301 HydrophobicContact CB-CD1 4.26Å; V233-L301 HydrophobicContact CG1-CD1 3.29Å; V233-L301 HydrophobicContact CG1-CD2 4.28Å; V233-L301 HydrophobicContact CG1-CG 4.43Å; V233-L301 HydrophobicContact CG2-CD1 4.06Å; T296-L301 HydrophobicContact CG2-CB 4.48Å; T296-L301 HydrophobicContact CG2-CD1 4.39Å; T297-L301 PolarHBondContact O-N 3.31Å; P298-L301 VanDerWaalsContact O-CB 3.27Å; P298-L301 WeakPolarHBondContact O-CB 3.36Å; P298-L301 PolarHBondContact O-N 2.95Å; E299-L301 VanDerWaalsContact C-N 3.32Å; L301-A303 VanDerWaalsContact C-N 3.31Å; L301-A303 PolarHBondContact O-N 3.43Å; L301-A304 PolarHBondContact O-N 3.18Å; L301-L305 HydrophobicContact CD1-CD1 3.84Å; L301-L305 HydrophobicContact CD1-CG 4.03Å; L301-L305 HydrophobicContact CG-CD1 4.1Å; L301-L305 PolarHBondContact O-N 3.42Å
302P89.2Confident94.4Very high12 Ų1230.3 Ų30.38%0.07816%0.163CC..Hα-helixtrans-62-39.6178.9-23.436.3000112.4T36 E39 R306T36-P302 HydrophobicContact CG2-CG 3.91Å; E39-P302 HydrophobicContact CB-CB 4.3Å; E39-P302 HydrophobicContact CB-CG 4.28Å; E39-P302 VanDerWaalsContact OE2-CB 3.23Å; E39-P302 WeakPolarHBondContact OE2-CB 3.46Å; E39-P302 WeakPolarHBondContact OE2-CG 3.28Å; P302-R306 PolarHBondContact O-N 2.95Å; P302-R306 PolarHBondContact O-NH1 3.42Å; P302-R306 VanDerWaalsContact O-NH1 3.14Å
303A93.2Very high94.4Very high21 Ų2128.5 Ų28.517%0.17416%0.155CC..Hα-helixtrans-70-39.6177.600000112.1C300 L301 L305 R306 G307 E308 T309C300-A303 PolarHBondContact O-N 3.5Å; C300-A303 VanDerWaalsContact O-N 3.12Å; L301-A303 VanDerWaalsContact C-N 3.31Å; L301-A303 PolarHBondContact O-N 3.43Å; A303-L305 VanDerWaalsContact C-N 3.35Å; A303-L305 PolarHBondContact O-N 3.44Å; A303-R306 PolarHBondContact O-N 3.03Å; A303-R306 VanDerWaalsContact O-N 3.11Å; A303-G307 PolarHBondContact O-N 3.47Å; A303-E308 HydrophobicContact CB-CB 4.25Å; A303-E308 WeakPolarHBondContact CB-OE2 3.49Å; A303-E308 WeakPolarHBondContact O-CB 3.24Å; A303-E308 PolarHBondContact O-N 2.8Å; A303-T309 HydrophobicContact CB-CG2 3.91Å
304A95.2Very high94.4Very high0 Ų029.8 Ų29.80%016%0.161CC..Hα-helixtrans-63.7-39.9176.100000111.5I294 T296 C300 L301 R306 G307 T309 H312I294-A304 HydrophobicContact CG2-CB 3.7Å; T296-A304 HydrophobicContact CG2-CB 3.65Å; C300-A304 WeakPolarHBondContact O-CB 3.28Å; C300-A304 PolarHBondContact O-N 2.89Å; L301-A304 PolarHBondContact O-N 3.18Å; A304-R306 PolarHBondContact O-N 3.46Å; A304-G307 WeakPolarHBondContact O-CA 3.42Å; A304-G307 PolarHBondContact O-N 3.44Å; A304-T309 WeakPolarHBondContact CA-O 3.34Å; A304-T309 HydrophobicContact CB-CG2 4.21Å; A304-H312 PolarHBondContact O-CE1 3.28Å; A304-H312 PolarHBondContact O-NE2 2.91Å; A304-H312 VanDerWaalsContact O-NE2 3.16Å
305L92.9Very high93.8Very high20 Ų2035.1 Ų35.111%0.10519%0.185CC..Hα-helixtrans-65.2-21.4174.2-76.6163.2000114V5 M40 V233 I294 L301 A303 G307V5-L305 HydrophobicContact CG1-CD2 4.43Å; M40-L305 HydrophobicContact CB-CD1 4.43Å; M40-L305 HydrophobicContact CE-CD1 3.45Å; M40-L305 VanDerWaalsContact CE-CD1 3.45Å; M40-L305 HydrophobicContact CG-CD1 3.46Å; M40-L305 VanDerWaalsContact CG-CD1 3.46Å; M40-L305 HydrophobicContact SD-CD1 3.69Å; V233-L305 HydrophobicContact CG2-CD2 4.21Å; I294-L305 HydrophobicContact CD1-CD2 3.81Å; I294-L305 HydrophobicContact CD1-CG 4.41Å; L301-L305 HydrophobicContact CD1-CD1 3.84Å; L301-L305 HydrophobicContact CD1-CG 4.03Å; L301-L305 HydrophobicContact CG-CD1 4.1Å; L301-L305 PolarHBondContact O-N 3.42Å; A303-L305 VanDerWaalsContact C-N 3.35Å; A303-L305 PolarHBondContact O-N 3.44Å; L305-G307 VanDerWaalsContact C-N 3.31Å
306R92.1Very high92.6Very high132 Ų13242.5 Ų42.550%0.49823%0.23SC..THydrogen-bonded Turntrans-87.1-0.9170.9-64.6-173.2-57.2-90.4-0.9113.1P302 A303 A304 E308P302-R306 PolarHBondContact O-N 2.95Å; P302-R306 PolarHBondContact O-NH1 3.42Å; P302-R306 VanDerWaalsContact O-NH1 3.14Å; A303-R306 PolarHBondContact O-N 3.03Å; A303-R306 VanDerWaalsContact O-N 3.11Å; A304-R306 PolarHBondContact O-N 3.46Å; R306-E308 VanDerWaalsContact C-N 3.31Å; R306-E308 HydrophobicContact CB-CG 4Å; R306-E308 IonicContact CZ-OE1 2.69Å; R306-E308 IonicContact CZ-OE2 3.47Å; R306-E308 VanDerWaalsContact NE-CD 3.3Å; R306-E308 IonicContact NE-OE1 3.78Å; R306-E308 PolarHBondContact NE-OE1 3.44Å; R306-E308 IonicContact NE-OE2 3.1Å; R306-E308 PolarHBondContact NE-OE2 2.93Å; R306-E308 IonicContact NH2-OE1 3.18Å; R306-E308 IonicContact NH2-OE2 3.36Å; R306-E308 PolarHBondContact NH2-OE2 3.1Å
307G94.7Very high92.5Very high55 Ų5544.6 Ų44.657%0.56724%0.241SC*.THydrogen-bonded Turntrans74.717.4-177.100000114.2A303 A304 L305A303-G307 PolarHBondContact O-N 3.47Å; A304-G307 WeakPolarHBondContact O-CA 3.42Å; A304-G307 PolarHBondContact O-N 3.44Å; L305-G307 VanDerWaalsContact C-N 3.31Å
308E96.3Very high92.5Very high119 Ų11946.6 Ų46.656%0.55625%0.251SS*.SBendtrans-84.1-25.6-177.4-62.9165.9-175.400112.2A303 R306A303-E308 HydrophobicContact CB-CB 4.25Å; A303-E308 WeakPolarHBondContact CB-OE2 3.49Å; A303-E308 WeakPolarHBondContact O-CB 3.24Å; A303-E308 PolarHBondContact O-N 2.8Å; R306-E308 VanDerWaalsContact C-N 3.31Å; R306-E308 HydrophobicContact CB-CG 4Å; R306-E308 IonicContact CZ-OE1 2.69Å; R306-E308 IonicContact CZ-OE2 3.47Å; R306-E308 VanDerWaalsContact NE-CD 3.3Å; R306-E308 IonicContact NE-OE1 3.78Å; R306-E308 PolarHBondContact NE-OE1 3.44Å; R306-E308 IonicContact NE-OE2 3.1Å; R306-E308 PolarHBondContact NE-OE2 2.93Å; R306-E308 IonicContact NH2-OE1 3.18Å; R306-E308 IonicContact NH2-OE2 3.36Å; R306-E308 PolarHBondContact NH2-OE2 3.1Å
309T97.3Very high92.8Very high15 Ų1547.4 Ų47.49%0.09225%0.254CS..SBendtrans-154.6-166.9178.9-165.80000110.9E239 K240 C300 A303 A304 H312E239-T309 VanDerWaalsContact CD-OG1 3.25Å; E239-T309 HydrophobicContact CG-CG2 4.45Å; E239-T309 WeakPolarHBondContact CG-OG1 3.36Å; E239-T309 WeakPolarHBondContact OE1-CB 3.43Å; E239-T309 PolarHBondContact OE1-OG1 3.08Å; K240-T309 VanDerWaalsContact CE-OG1 3.29Å; K240-T309 WeakPolarHBondContact CE-OG1 3.39Å; C300-T309 HydrophobicContact CB-CG2 3.88Å; A303-T309 HydrophobicContact CB-CG2 3.91Å; A304-T309 WeakPolarHBondContact CA-O 3.34Å; A304-T309 HydrophobicContact CB-CG2 4.21Å; T309-H312 PolarHBondContact O-CD2 3.49Å; T309-H312 PolarHBondContact O-NE2 3.47Å
310G97.4Very high93.1Very high2 Ų242.2 Ų42.22%0.02123%0.231CC..SBendtrans81.1170.1-175.500000112.6E239E239-G310 WeakPolarHBondContact O-CA 3.48Å
311T98.5Very high93.1Very high0 Ų043.4 Ų43.40%024%0.236CC..EExtended strand (participates in β ladder)trans-99.4121.1165.7-60.40000109.5K240 V241 L253 D254 V256 M261 I294 I295 I313K240-T311 WeakPolarHBondContact CA-OG1 3.32Å; V241-T311 HydrophobicContact CB-CG2 4.04Å; V241-T311 WeakPolarHBondContact CB-OG1 3.27Å; V241-T311 HydrophobicContact CG2-CG2 4.05Å; V241-T311 PolarHBondContact N-OG1 3.44Å; L253-T311 HydrophobicContact CB-CG2 3.93Å; L253-T311 WeakPolarHBondContact O-CB 3.34Å; L253-T311 PolarHBondContact O-OG1 2.91Å; D254-T311 CarbonylContact O-C 3.51Å; D254-T311 VanDerWaalsContact O-CA 3.3Å; D254-T311 WeakPolarHBondContact O-CA 3.24Å; V256-T311 HydrophobicContact CG2-CG2 4.33Å; M261-T311 HydrophobicContact CE-CG2 4.3Å; I294-T311 WeakPolarHBondContact CA-O 3.48Å; I295-T311 PolarHBondContact N-O 2.79Å; I295-T311 PolarHBondContact O-N 2.72Å; T311-I313 HydrophobicContact CG2-CG1 4.36Å
312H98.6Very high93.3Very high16 Ų1645.9 Ų45.97%0.07425%0.25CS..EExtended strand (participates in β ladder)trans-103.6110.9179.8-70.8-105.3000110.1D254 R255 V256 E292 V293 A304 T309D254-H312 PolarHBondContact O-N 2.98Å; R255-H312 CarbonylContact C-O 3.6Å; R255-H312 WeakPolarHBondContact CA-O 3.22Å; R255-H312 HydrophobicContact CB-CB 4.39Å; R255-H312 HydrophobicContact CG-CB 4.05Å; V256-H312 PolarHBondContact N-O 3.4Å; E292-H312 IonicContact OE1-CE1 2.76Å; E292-H312 IonicContact OE1-CG 3.93Å; E292-H312 IonicContact OE1-ND1 3.67Å; E292-H312 PolarHBondContact OE1-ND1 3.33Å; V293-H312 WeakPolarHBondContact O-CA 3.4Å; A304-H312 PolarHBondContact O-CE1 3.28Å; A304-H312 PolarHBondContact O-NE2 2.91Å; A304-H312 VanDerWaalsContact O-NE2 3.16Å; T309-H312 PolarHBondContact O-CD2 3.49Å; T309-H312 PolarHBondContact O-NE2 3.47Å
313I98.5Very high93.6Very high0 Ų048.4 Ų48.40%026%0.262CS..EExtended strand (participates in β ladder)trans-99.1116.6174.4-44.6167.9000107.3V256 M261 I279 L286 E292 V293 I295 T311V256-I313 HydrophobicContact CG2-CG1 4.11Å; V256-I313 HydrophobicContact CG2-CG2 4.49Å; V256-I313 VanDerWaalsContact O-CA 3.31Å; V256-I313 WeakPolarHBondContact O-CA 3.42Å; M261-I313 HydrophobicContact CB-CG2 4.21Å; M261-I313 HydrophobicContact CE-CD1 3.59Å; M261-I313 HydrophobicContact CE-CG1 3.68Å; M261-I313 HydrophobicContact CG-CD1 4.2Å; M261-I313 HydrophobicContact CG-CG2 4.42Å; I279-I313 HydrophobicContact CD1-CD1 4.39Å; L286-I313 HydrophobicContact CD1-CB 3.82Å; L286-I313 HydrophobicContact CD1-CG2 3.38Å; E292-I313 WeakPolarHBondContact CA-O 3.49Å; V293-I313 HydrophobicContact CB-CB 4.3Å; V293-I313 HydrophobicContact CB-CD1 4.47Å; V293-I313 PolarHBondContact N-O 3.09Å; V293-I313 PolarHBondContact O-N 2.93Å; I295-I313 HydrophobicContact CD1-CD1 4.04Å; T311-I313 HydrophobicContact CG2-CG1 4.36Å
314I96.5Very high93.6Very high28 Ų2850.5 Ų50.514%0.14427%0.269CS..EExtended strand (participates in β ladder)trans-122153.7-172.154.7152.1000112.2R255 V256 D257 I258 E292R255-I314 HydrophobicContact CG-CD1 4.23Å; R255-I314 HydrophobicContact CG-CG1 4.17Å; R255-I314 VanDerWaalsContact NE-CD1 3.29Å; V256-I314 PolarHBondContact O-N 2.95Å; D257-I314 WeakPolarHBondContact CA-O 3.18Å; I258-I314 PolarHBondContact N-O 2.86Å; E292-I314 HydrophobicContact CB-CG2 4.31Å; E292-I314 HydrophobicContact CG-CG2 3.89Å
315K85.4Confident93.5Very high115 Ų11554.7 Ų54.750%0.529%0.292SS..  trans-80.9116.9167.9-168.1170.3-175.4167.10109.2I258 K291I258-K315 HydrophobicContact CD1-CB 4.24Å; I258-K315 HydrophobicContact CD1-CG 4.14Å; K291-K315 PolarHBondContact O-N 3.35Å
316T73.6Confident93.5Very high154 Ų15457.8 Ų57.895%0.94531%0.309SS*.  trans-830170.124.60000112.2D257D257-T316 HydrophobicContact CB-CG2 4.02Å; D257-T316 WeakPolarHBondContact CB-OG1 3.3Å

Retrieved 316 of 316 residues in 204 ms (Link to these results)

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