A0A096N159_PAPAN Loading...

small monomeric GTPase

AlphaFold DB (A0A6D2XL12), UniProt , Accession A0A096N159, Species PAPAN (Papio anubis, Olive baboon), Gene RAC1, Length 211 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
1M67.4Low92.3Very high145 Ų14532.2 Ų32.271%0.71418%0.179SC*.  0116.90-169174.7-71.100106.6A3 N43 P50 N52M1-A3 PolarHBondContact O-N 3.23Å; M1-N43 HydrophobicContact SD-CB 4.5Å; M1-P50 WeakPolarHBondContact CA-O 3.43Å; M1-P50 HydrophobicContact CE-CB 4.32Å; M1-P50 HydrophobicContact CG-CB 4.31Å; M1-N52 HydrophobicContact CG-CB 4.09Å; M1-N52 HydrophobicContact SD-CB 3.91Å
2Q84.6Confident92.6Very high95 Ų9532 Ų3244%0.44419%0.19SC..EExtended strand (participates in β ladder)trans-73.4127.6-178.1-178.6169.4-9.100108.7I4 P50 V51 N52 L196Q2-I4 HydrophobicContact CG-CG1 4.31Å; Q2-P50 PolarHBondContact N-O 2.69Å; Q2-V51 WeakPolarHBondContact O-CA 3.22Å; Q2-N52 PolarHBondContact O-N 2.9Å; Q2-L196 VanDerWaalsContact CD-CD2 3.5Å
3A90.6Very high92.8Very high74 Ų7433.5 Ų33.561%0.61221%0.209SC*.EExtended strand (participates in β ladder)trans-83.4131.8172.700000108.9M1 N52M1-A3 PolarHBondContact O-N 3.23Å; A3-N52 CarbonylContact C-O 3.57Å; A3-N52 WeakPolarHBondContact CA-O 3.47Å
4I93.4Very high93.1Very high3 Ų331.4 Ų31.42%0.01520%0.195CC..EExtended strand (participates in β ladder)trans-126.5125.4175.9-65-178.3000108.1Q2 V51 N52 L53 G54 D95 V96 I192 V195 L196Q2-I4 HydrophobicContact CG-CG1 4.31Å; I4-V51 HydrophobicContact CB-CG1 4.17Å; I4-V51 HydrophobicContact CD1-CG1 3.71Å; I4-V51 HydrophobicContact CD1-CG2 4.35Å; I4-V51 HydrophobicContact CG1-CG1 3.92Å; I4-N52 PolarHBondContact N-O 3.21Å; I4-L53 HydrophobicContact CB-CD1 4.09Å; I4-L53 HydrophobicContact CG2-CD1 3.82Å; I4-L53 CarbonylContact O-C 3.57Å; I4-L53 WeakPolarHBondContact O-CA 3.24Å; I4-G54 PolarHBondContact O-N 3.31Å; I4-D95 WeakPolarHBondContact CA-OD2 3.41Å; I4-D95 HydrophobicContact CG2-CB 3.96Å; I4-V96 HydrophobicContact CG2-CG1 4.36Å; I4-I192 HydrophobicContact CD1-CB 4.41Å; I4-I192 HydrophobicContact CD1-CG1 4.39Å; I4-I192 HydrophobicContact CD1-CG2 3.93Å; I4-V195 HydrophobicContact CD1-CB 4.01Å; I4-V195 HydrophobicContact CD1-CG1 4.03Å; I4-V195 HydrophobicContact CG1-CG1 4.19Å; I4-V195 HydrophobicContact CG2-CB 4.48Å; I4-V195 HydrophobicContact CG2-CG2 4.02Å; I4-L196 HydrophobicContact CD1-CD2 4.11Å; I4-L196 HydrophobicContact CD1-CG 4.26Å
5K93.6Very high93.4Very high11 Ų1130.4 Ų30.45%0.04819%0.193CC..EExtended strand (participates in β ladder)trans-95.3113173.5178.3172.1170.7176.40110.4V7 W56 S71 P92 D95 V96K5-V7 HydrophobicContact CG-CG2 4.34Å; K5-W56 VanDerWaalsContact CE-CE2 3.47Å; K5-W56 HydrophobicContact CG-CG 4.46Å; K5-S71 WeakPolarHBondContact CE-O 3.44Å; K5-S71 PolarHBondContact NZ-O 3.28Å; K5-P92 HydrophobicContact CD-CB 3.98Å; K5-P92 HydrophobicContact CD-CG 4.24Å; K5-P92 WeakPolarHBondContact CD-O 3.4Å; K5-P92 PolarHBondContact NZ-O 3.02Å; K5-D95 PolarHBondContact N-OD2 3.14Å; K5-D95 PolarHBondContact O-N 3.22Å; K5-V96 PolarHBondContact O-N 3.2Å
6C95.9Very high93.6Very high0 Ų029.2 Ų29.20%018%0.184CC..EExtended strand (participates in β ladder)trans-106.7122174.81740000109.9L53 G54 L55 W56 V96C6-L53 HydrophobicContact CB-CD1 3.78Å; C6-G54 PolarHBondContact N-O 3.28Å; C6-L55 HydrophobicContact CB-CD2 4.08Å; C6-L55 WeakPolarHBondContact O-CA 3.45Å; C6-W56 PolarHBondContact O-N 3.36Å; C6-V96 WeakPolarHBondContact CA-O 3.42Å; C6-V96 HydrophobicContact CB-CG1 3.72Å
7V96.9Very high93.8Very high0 Ų028.9 Ų28.90%018%0.182CC..EExtended strand (participates in β ladder)trans-105.4132.4177.1-174.50000110.2K5 V9 W56 T58 Y72 A94 V96 F97 L98K5-V7 HydrophobicContact CG-CG2 4.34Å; V7-V9 HydrophobicContact CG1-CG1 4.16Å; V7-W56 HydrophobicContact CB-CB 4.34Å; V7-W56 HydrophobicContact CG1-CB 4.22Å; V7-W56 HydrophobicContact CG2-CB 3.99Å; V7-W56 HydrophobicContact CG2-CG 4.29Å; V7-T58 HydrophobicContact CG1-CG2 3.91Å; V7-Y72 HydrophobicContact CG1-CD1 3.85Å; V7-Y72 HydrophobicContact CG1-CE1 3.74Å; V7-A94 HydrophobicContact CB-CB 4.34Å; V7-A94 HydrophobicContact CG2-CB 3.56Å; V7-V96 PolarHBondContact N-O 3.05Å; V7-F97 HydrophobicContact CB-CD1 3.86Å; V7-F97 HydrophobicContact CB-CE1 3.74Å; V7-F97 HydrophobicContact CB-CZ 4.48Å; V7-F97 HydrophobicContact CG1-CD1 4.24Å; V7-F97 HydrophobicContact CG1-CE1 3.95Å; V7-F97 HydrophobicContact CG2-CE1 4.36Å; V7-F97 WeakPolarHBondContact O-CA 3.42Å; V7-L98 PolarHBondContact O-N 3.41Å
8V98Very high93.9Very high0 Ų028.6 Ų28.60%018%0.181CC..EExtended strand (participates in β ladder)trans-109.1123-178.1-169.20000110K16 L20 W56 T58 L98 C100V8-K16 HydrophobicContact CG1-CB 3.86Å; V8-K16 HydrophobicContact CG1-CD 4.04Å; V8-K16 HydrophobicContact CG1-CG 3.92Å; V8-L20 HydrophobicContact CB-CD1 4.45Å; V8-L20 HydrophobicContact CG2-CD1 4.11Å; V8-L20 HydrophobicContact CG2-CD2 3.75Å; V8-L20 HydrophobicContact CG2-CG 4.25Å; V8-W56 PolarHBondContact N-O 2.91Å; V8-T58 PolarHBondContact O-OG1 3.36Å; V8-L98 HydrophobicContact CB-CB 4.49Å; V8-L98 HydrophobicContact CG1-CB 4.16Å; V8-L98 HydrophobicContact CG2-CB 4.22Å; V8-L98 HydrophobicContact CG2-CD1 3.95Å; V8-L98 HydrophobicContact CG2-CG 4.28Å; V8-C100 VanDerWaalsContact CG1-SG 3.59Å
9V98.3Very high94.1Very high0 Ų027.1 Ų27.10%017%0.171CC..EExtended strand (participates in β ladder)trans-130.3165.7-178.5-54.90000110.4V7 K16 Y72 F97 L98 I99 C100 W116 V120V7-V9 HydrophobicContact CG1-CG1 4.16Å; V9-K16 VanDerWaalsContact C-CD 3.43Å; V9-Y72 HydrophobicContact CG1-CE1 3.76Å; V9-Y72 WeakPolarHBondContact CG1-OH 3.44Å; V9-F97 HydrophobicContact CG1-CD1 4.35Å; V9-L98 PolarHBondContact N-O 3.46Å; V9-I99 HydrophobicContact CG2-CB 4.36Å; V9-I99 HydrophobicContact CG2-CG1 3.75Å; V9-C100 PolarHBondContact O-N 2.8Å; V9-W116 HydrophobicContact CB-CE3 3.86Å; V9-W116 HydrophobicContact CB-CZ3 4.15Å; V9-W116 HydrophobicContact CG2-CE3 4.15Å; V9-V120 HydrophobicContact CG2-CG2 3.89Å
10G98.4Very high94.2Very high0 Ų025.8 Ų25.80%016%0.163CC..EExtended strand (participates in β ladder)trans140166.4-173.700000111.5K16 G60 C100 W116G10-K16 PolarHBondContact O-NZ 3.01Å; G10-G60 WeakPolarHBondContact O-CA 3.48Å; G10-C100 VanDerWaalsContact CA-O 3.32Å; G10-C100 WeakPolarHBondContact CA-O 3.31Å; G10-W116 WeakPolarHBondContact O-CH2 3.48Å; G10-W116 WeakPolarHBondContact O-CZ2 3.13Å
11D98.3Very high94.2Very high26 Ų2626.2 Ų26.214%0.13916%0.164CC..SBendtrans-53.1160.3-176.1-80.215.8000113.3V14 K16 S108 N111 W116D11-V14 HydrophobicContact CB-CG1 3.59Å; D11-V14 VanDerWaalsContact O-CG2 3.26Å; D11-V14 WeakPolarHBondContact O-CG2 3.42Å; D11-K16 PolarHBondContact O-NZ 3.43Å; D11-S108 VanDerWaalsContact OD2-CA 3.24Å; D11-S108 WeakPolarHBondContact OD2-CA 3.39Å; D11-S108 WeakPolarHBondContact OD2-CB 3.46Å; D11-N111 WeakPolarHBondContact OD1-CB 3.43Å; D11-N111 PolarHBondContact OD1-ND2 3.18Å; D11-N111 PolarHBondContact OD2-ND2 2.96Å; D11-W116 PolarHBondContact OD1-NE1 3.08Å
12G95.3Very high95.6Very high30 Ų3019.3 Ų19.331%0.30913%0.13SC..THydrogen-bonded Turntrans-53.6145.6166.700000111.4V14 G60G12-V14 PolarHBondContact O-N 3.16Å; G12-G60 PolarHBondContact N-O 3.46Å
13A95.3Very high96.1Very high52 Ų5216.1 Ų16.143%0.4311%0.114SC..THydrogen-bonded Turntrans58.610.3175.200000117.3G15 K135A13-G15 PolarHBondContact O-N 2.97Å; A13-K135 VanDerWaalsContact O-CE 3.27Å; A13-K135 WeakPolarHBondContact O-CE 3.31Å; A13-K135 PolarHBondContact O-NZ 2.9Å
14V97.8Very high96.3Very high4 Ų414.6 Ų14.62%0.02410%0.097CC..SBendtrans-71.8-12.2173.2-57.70000113.1D11 G12 K16 C100 T134D11-V14 HydrophobicContact CB-CG1 3.59Å; D11-V14 VanDerWaalsContact O-CG2 3.26Å; D11-V14 WeakPolarHBondContact O-CG2 3.42Å; G12-V14 PolarHBondContact O-N 3.16Å; V14-K16 HydrophobicContact CG2-CD 4.38Å; V14-K16 HydrophobicContact CG2-CG 3.73Å; V14-C100 HydrophobicContact CG2-CB 3.97Å; V14-T134 WeakPolarHBondContact O-CB 3.13Å; V14-T134 PolarHBondContact O-OG1 2.95Å
15G96.8Very high96.2Very high16 Ų1618.1 Ų18.117%0.16512%0.119CC..SBendtrans99.726.2174.800000115.3A13 C18 L19A13-G15 PolarHBondContact O-N 2.97Å; G15-C18 PolarHBondContact O-N 3.17Å; G15-L19 WeakPolarHBondContact O-CB 3.44Å; G15-L19 PolarHBondContact O-N 3.42Å
16K97.6Very high96.2Very high11 Ų1123.6 Ų23.65%0.04815%0.148CC..Hα-helixtrans-56.4-52.8175.2-57-172.3-58.8-76.90111.8V8 V9 G10 D11 V14 C18 L19 L20 T58 C100V8-K16 HydrophobicContact CG1-CB 3.86Å; V8-K16 HydrophobicContact CG1-CD 4.04Å; V8-K16 HydrophobicContact CG1-CG 3.92Å; V9-K16 VanDerWaalsContact C-CD 3.43Å; G10-K16 PolarHBondContact O-NZ 3.01Å; D11-K16 PolarHBondContact O-NZ 3.43Å; V14-K16 HydrophobicContact CG2-CD 4.38Å; V14-K16 HydrophobicContact CG2-CG 3.73Å; K16-C18 PolarHBondContact O-N 3.12Å; K16-L19 VanDerWaalsContact O-CB 3.23Å; K16-L19 WeakPolarHBondContact O-CB 3.36Å; K16-L19 PolarHBondContact O-N 3.17Å; K16-L19 VanDerWaalsContact O-N 3.16Å; K16-L20 WeakPolarHBondContact O-CG 3.46Å; K16-L20 PolarHBondContact O-N 3.49Å; K16-L20 VanDerWaalsContact O-N 3.07Å; K16-T58 WeakPolarHBondContact CE-O 3.46Å; K16-T58 PolarHBondContact NZ-O 3.28Å; K16-C100 HydrophobicContact CG-CB 4.1Å
17T96.1Very high95.9Very high25 Ų2526 Ų2615%0.15317%0.168CC..Hα-helixtrans-61.3-45.2178.4-42.70000112L19 L20 I21 T35 D57T17-L19 VanDerWaalsContact C-N 3.29Å; T17-L19 PolarHBondContact O-N 3.49Å; T17-L20 PolarHBondContact O-N 2.79Å; T17-I21 HydrophobicContact CG2-CD1 3.77Å; T17-I21 HydrophobicContact CG2-CG1 4.37Å; T17-I21 WeakPolarHBondContact O-CB 3.39Å; T17-I21 WeakPolarHBondContact O-CG1 3.41Å; T17-I21 PolarHBondContact O-N 3.34Å; T17-T35 WeakPolarHBondContact CG2-OG1 3.3Å; T17-T35 PolarHBondContact OG1-OG1 2.64Å; T17-D57 WeakPolarHBondContact CA-OD2 3.24Å; T17-D57 VanDerWaalsContact CB-OD2 3.24Å; T17-D57 WeakPolarHBondContact CB-OD2 3.38Å; T17-D57 WeakPolarHBondContact CG2-OD2 3.23Å; T17-D57 PolarHBondContact OG1-OD2 2.93Å
18C96.3Very high95.6Very high22 Ų2230.5 Ų30.515%0.14919%0.188CC..Hα-helixtrans-60.8-38.7175.9-54.60000112G15 K16 S22 F28 P29 A178G15-C18 PolarHBondContact O-N 3.17Å; K16-C18 PolarHBondContact O-N 3.12Å; C18-S22 WeakPolarHBondContact O-CB 3.41Å; C18-S22 PolarHBondContact O-N 3.03Å; C18-F28 HydrophobicContact CB-CD2 4.44Å; C18-F28 HydrophobicContact CB-CE2 3.75Å; C18-F28 HydrophobicContact CB-CZ 4.19Å; C18-P29 HydrophobicContact CB-CG 4.3Å; C18-A178 HydrophobicContact CB-CB 4.04Å
19L97.1Very high95.1Very high1 Ų132 Ų321%0.00520%0.198CC..Hα-helixtrans-59.5-48.3175.3-171.880.6000110.8G15 K16 T17 Y23 L98 C176 L184 F188G15-L19 WeakPolarHBondContact O-CB 3.44Å; G15-L19 PolarHBondContact O-N 3.42Å; K16-L19 VanDerWaalsContact O-CB 3.23Å; K16-L19 WeakPolarHBondContact O-CB 3.36Å; K16-L19 PolarHBondContact O-N 3.17Å; K16-L19 VanDerWaalsContact O-N 3.16Å; T17-L19 VanDerWaalsContact C-N 3.29Å; T17-L19 PolarHBondContact O-N 3.49Å; L19-Y23 VanDerWaalsContact O-CB 3.32Å; L19-Y23 WeakPolarHBondContact O-CB 3.43Å; L19-Y23 PolarHBondContact O-N 3.48Å; L19-Y23 VanDerWaalsContact O-N 3.11Å; L19-L98 HydrophobicContact CD2-CD1 4.18Å; L19-C176 WeakPolarHBondContact CD1-SG 3.36Å; L19-L184 HydrophobicContact CD1-CD1 3.3Å; L19-L184 HydrophobicContact CG-CD1 3.91Å; L19-F188 HydrophobicContact CD2-CZ 4Å; L19-F188 HydrophobicContact CG-CE2 4.14Å; L19-F188 HydrophobicContact CG-CZ 3.9Å
20L96.3Very high94.1Very high0 Ų036.1 Ų36.10%024%0.24CC..Hα-helixtrans-69.2-46.5-177.7-65180000112.4V8 K16 T17 Y23 T24 Y40 L55 D57 F188V8-L20 HydrophobicContact CB-CD1 4.45Å; V8-L20 HydrophobicContact CG2-CD1 4.11Å; V8-L20 HydrophobicContact CG2-CD2 3.75Å; V8-L20 HydrophobicContact CG2-CG 4.25Å; K16-L20 WeakPolarHBondContact O-CG 3.46Å; K16-L20 PolarHBondContact O-N 3.49Å; K16-L20 VanDerWaalsContact O-N 3.07Å; T17-L20 PolarHBondContact O-N 2.79Å; L20-Y23 PolarHBondContact O-N 3.12Å; L20-T24 WeakPolarHBondContact O-CB 3.35Å; L20-T24 WeakPolarHBondContact O-CG2 3.37Å; L20-T24 PolarHBondContact O-N 3.32Å; L20-T24 PolarHBondContact O-OG1 3.4Å; L20-Y40 HydrophobicContact CB-CD2 4.12Å; L20-Y40 HydrophobicContact CB-CE2 4.22Å; L20-Y40 HydrophobicContact CD1-CD2 4.2Å; L20-Y40 HydrophobicContact CD1-CE2 4.29Å; L20-L55 HydrophobicContact CD2-CB 3.91Å; L20-L55 HydrophobicContact CD2-CD1 4.05Å; L20-L55 HydrophobicContact CD2-CD2 3.8Å; L20-L55 HydrophobicContact CD2-CG 4.12Å; L20-D57 HydrophobicContact CD1-CB 3.43Å; L20-D57 VanDerWaalsContact CD1-CB 3.43Å; L20-F188 HydrophobicContact CD2-CE1 3.9Å; L20-F188 HydrophobicContact CD2-CZ 3.94Å
21I94.4Very high93.2Very high36 Ų3643.8 Ų43.819%0.18528%0.276CS..Hα-helixtrans-64.1-47.6178.3-67.6175.5000110.4T17 Y23 T24 T25 P29 Y40T17-I21 HydrophobicContact CG2-CD1 3.77Å; T17-I21 HydrophobicContact CG2-CG1 4.37Å; T17-I21 WeakPolarHBondContact O-CB 3.39Å; T17-I21 WeakPolarHBondContact O-CG1 3.41Å; T17-I21 PolarHBondContact O-N 3.34Å; I21-Y23 VanDerWaalsContact C-N 3.26Å; I21-Y23 PolarHBondContact O-N 2.86Å; I21-T24 PolarHBondContact O-N 3.07Å; I21-T24 PolarHBondContact O-OG1 2.91Å; I21-T25 HydrophobicContact CG2-CG2 4.27Å; I21-T25 WeakPolarHBondContact O-CB 3.45Å; I21-T25 PolarHBondContact O-N 2.9Å; I21-T25 PolarHBondContact O-OG1 3.49Å; I21-P29 HydrophobicContact CD1-CB 4.24Å; I21-P29 HydrophobicContact CD1-CG 4.3Å; I21-P29 HydrophobicContact CG2-CB 4.43Å; I21-P29 HydrophobicContact CG2-CG 4.45Å; I21-Y40 HydrophobicContact CG1-CE1 4.31Å
22S96Very high92Very high0 Ų049 Ų490%030%0.295CS..Hα-helixtrans-61.1-37.8179.9-173.90000111.9C18 N26 A27 A178 L184C18-S22 WeakPolarHBondContact O-CB 3.41Å; C18-S22 PolarHBondContact O-N 3.03Å; S22-N26 WeakPolarHBondContact O-CA 3.19Å; S22-N26 PolarHBondContact O-N 3Å; S22-A27 VanDerWaalsContact CA-O 3.23Å; S22-A27 WeakPolarHBondContact CA-O 3.5Å; S22-A178 WeakPolarHBondContact CB-O 3.35Å; S22-A178 PolarHBondContact OG-O 3.13Å; S22-L184 WeakPolarHBondContact OG-CD2 3.33Å
23Y96.4Very high91.2Very high28 Ų2853.5 Ų53.511%0.1131%0.311CS..Hα-helixtrans-69.5-40.4177.3175.1-109.1000113.1L19 L20 I21 A42 V44 L53 L55 F188L19-Y23 VanDerWaalsContact O-CB 3.32Å; L19-Y23 WeakPolarHBondContact O-CB 3.43Å; L19-Y23 PolarHBondContact O-N 3.48Å; L19-Y23 VanDerWaalsContact O-N 3.11Å; L20-Y23 PolarHBondContact O-N 3.12Å; I21-Y23 VanDerWaalsContact C-N 3.26Å; I21-Y23 PolarHBondContact O-N 2.86Å; Y23-A42 HydrophobicContact CE1-CB 3.88Å; Y23-V44 WeakPolarHBondContact OH-CG1 3.47Å; Y23-L53 HydrophobicContact CE1-CD2 4.07Å; Y23-L55 HydrophobicContact CD1-CD1 3.89Å; Y23-L55 HydrophobicContact CE1-CD1 4.17Å; Y23-F188 VanDerWaalsContact CB-CE2 3.41Å; Y23-F188 HydrophobicContact CD1-CD1 4.2Å; Y23-F188 AromaticContact CD1-CD2 3.81Å; Y23-F188 HydrophobicContact CD1-CD2 3.81Å; Y23-F188 HydrophobicContact CD1-CE1 4.28Å; Y23-F188 AromaticContact CD1-CE2 3.9Å; Y23-F188 HydrophobicContact CD1-CE2 3.9Å; Y23-F188 AromaticContact CD1-CG 3.96Å; Y23-F188 HydrophobicContact CD1-CG 3.96Å; Y23-F188 HydrophobicContact CD1-CZ 4.12Å; Y23-F188 HydrophobicContact CD2-CB 4.32Å; Y23-F188 AromaticContact CD2-CD2 3.23Å; Y23-F188 HydrophobicContact CD2-CD2 3.23Å; Y23-F188 AromaticContact CD2-CE2 3.7Å; Y23-F188 HydrophobicContact CD2-CE2 3.7Å; Y23-F188 AromaticContact CD2-CG 3.92Å; Y23-F188 HydrophobicContact CD2-CG 3.92Å; Y23-F188 HydrophobicContact CE1-CB 4.12Å; Y23-F188 HydrophobicContact CE1-CD1 4.17Å; Y23-F188 HydrophobicContact CE1-CD2 4.09Å; Y23-F188 AromaticContact CE1-CG 3.85Å; Y23-F188 HydrophobicContact CE1-CG 3.85Å; Y23-F188 HydrophobicContact CE2-CB 3.7Å; Y23-F188 AromaticContact CE2-CD2 3.54Å; Y23-F188 HydrophobicContact CE2-CD2 3.54Å; Y23-F188 HydrophobicContact CE2-CE2 4.41Å; Y23-F188 AromaticContact CE2-CG 3.79Å; Y23-F188 HydrophobicContact CE2-CG 3.79Å; Y23-F188 AromaticContact CG-CD2 3.36Å; Y23-F188 HydrophobicContact CG-CD2 3.36Å; Y23-F188 AromaticContact CG-CE2 3.38Å; Y23-F188 HydrophobicContact CG-CE2 3.38Å; Y23-F188 AromaticContact CG-CG 3.98Å; Y23-F188 HydrophobicContact CG-CG 3.98Å; Y23-F188 HydrophobicContact CG-CZ 4Å; Y23-F188 AromaticContact CZ-CD2 3.95Å; Y23-F188 AromaticContact CZ-CG 3.74Å
24T93.9Very high90.5Very high41 Ų4154.6 Ų54.625%0.25231%0.313SS..Hα-helixtrans-84.4-27.3-174.351.80000113.5L20 I21 L55L20-T24 WeakPolarHBondContact O-CB 3.35Å; L20-T24 WeakPolarHBondContact O-CG2 3.37Å; L20-T24 PolarHBondContact O-N 3.32Å; L20-T24 PolarHBondContact O-OG1 3.4Å; I21-T24 PolarHBondContact O-N 3.07Å; I21-T24 PolarHBondContact O-OG1 2.91Å; T24-L55 HydrophobicContact CG2-CD1 3.57Å
25T92.8Very high89.8Confident77 Ų7755.1 Ų55.147%0.47232%0.316SS..Hα-helixtrans-114.1-8.6-17468.60000113.8I21 A27I21-T25 HydrophobicContact CG2-CG2 4.27Å; I21-T25 WeakPolarHBondContact O-CB 3.45Å; I21-T25 PolarHBondContact O-N 2.9Å; I21-T25 PolarHBondContact O-OG1 3.49Å; T25-A27 PolarHBondContact O-N 3.2Å; T25-A27 PolarHBondContact OG1-N 3.43Å; T25-A27 PolarHBondContact OG1-O 2.99Å
26N92Very high88.9Confident126 Ų12657.4 Ų57.467%0.67433%0.327SS*.SBendtrans55.622.4-168.4-60.7-61.3000113.9S22 Q181S22-N26 WeakPolarHBondContact O-CA 3.19Å; S22-N26 PolarHBondContact O-N 3Å; N26-Q181 VanDerWaalsContact C-NE2 3.34Å; N26-Q181 PolarHBondContact O-NE2 2.79Å; N26-Q181 VanDerWaalsContact O-NE2 3.16Å
27A90.5Very high87.7Confident51 Ų5160 Ų6042%0.42134%0.339SS..SBendtrans-132.3145.3179.600000111.7S22 T25S22-A27 VanDerWaalsContact CA-O 3.23Å; S22-A27 WeakPolarHBondContact CA-O 3.5Å; T25-A27 PolarHBondContact O-N 3.2Å; T25-A27 PolarHBondContact OG1-N 3.43Å; T25-A27 PolarHBondContact OG1-O 2.99Å
28F90.3Very high87.1Confident94 Ų9462.6 Ų62.641%0.41235%0.351SS..  trans-87132.2173.8-168.3-94.3000110.2C18 G30 A178 L179C18-F28 HydrophobicContact CB-CD2 4.44Å; C18-F28 HydrophobicContact CB-CE2 3.75Å; C18-F28 HydrophobicContact CB-CZ 4.19Å; F28-G30 PolarHBondContact O-N 3.3Å; F28-A178 HydrophobicContact CD2-CB 4.2Å; F28-A178 HydrophobicContact CE2-CB 4.02Å; F28-L179 HydrophobicContact CB-CD1 4.27Å; F28-L179 HydrophobicContact CD1-CD1 3.97Å; F28-L179 VanDerWaalsContact CD2-CA 3.48Å; F28-L179 HydrophobicContact CD2-CB 4.03Å; F28-L179 HydrophobicContact CD2-CD1 4.16Å; F28-L179 HydrophobicContact CE1-CD1 4.34Å; F28-L179 HydrophobicContact CE2-CB 4Å; F28-L179 HydrophobicContact CE2-CD1 4.5Å; F28-L179 HydrophobicContact CG-CD1 3.86Å
29P87.5Confident86.7Confident32 Ų3265.9 Ų65.921%0.20837%0.367CS..  trans-67.7132-179.527.7-34000111.1C18 I21C18-P29 HydrophobicContact CB-CG 4.3Å; I21-P29 HydrophobicContact CD1-CB 4.24Å; I21-P29 HydrophobicContact CD1-CG 4.3Å; I21-P29 HydrophobicContact CG2-CB 4.43Å; I21-P29 HydrophobicContact CG2-CG 4.45Å
30G77Confident86.3Confident86 Ų8668.4 Ų68.489%0.88738%0.377SS*.SBendtrans-76.7-31.9-17700000114.6F28F28-G30 PolarHBondContact O-N 3.3Å
31E80.7Confident86.1Confident161 Ų16172.3 Ų72.375%0.75240%0.404SS*.SBendtrans-113.4139.9177.8-68-171.8170.500111.2I33E31-I33 PolarHBondContact O-N 3.12Å
32Y73Confident86Confident136 Ų13671.4 Ų71.453%0.53340%0.402SS..  trans-85.9108.4175179-104.5000110.4P34Y32-P34 HydrophobicContact CD1-CG 4.37Å; Y32-P34 HydrophobicContact CE1-CB 4.48Å; Y32-P34 HydrophobicContact CE1-CG 3.8Å
33I78.6Confident85.8Confident125 Ų12576.7 Ų76.764%0.64143%0.43SS*.  trans-109.2118.1171.4-57.4176.1000107.5E31 T35E31-I33 PolarHBondContact O-N 3.12Å; I33-T35 PolarHBondContact O-N 2.91Å
34P79.5Confident85.8Confident74 Ų7476.9 Ų76.948%0.48144%0.435SS..  trans-61.6124.8177-21.931.5000112.3Y32Y32-P34 HydrophobicContact CD1-CG 4.37Å; Y32-P34 HydrophobicContact CE1-CB 4.48Å; Y32-P34 HydrophobicContact CE1-CG 3.8Å
35T82.9Confident85.8Confident16 Ų1680.6 Ų80.610%0.09845%0.45CS..  trans-77.4138.7178.2-54.30000112.5T17 I33 D38 D57 A59T17-T35 WeakPolarHBondContact CG2-OG1 3.3Å; T17-T35 PolarHBondContact OG1-OG1 2.64Å; I33-T35 PolarHBondContact O-N 2.91Å; T35-D38 HydrophobicContact CG2-CB 4.27Å; T35-D57 HydrophobicContact CG2-CB 4.09Å; T35-D57 WeakPolarHBondContact CG2-OD2 3.3Å; T35-D57 PolarHBondContact OG1-OD2 3.16Å; T35-A59 WeakPolarHBondContact O-CA 3.34Å; T35-A59 WeakPolarHBondContact O-CB 3.34Å
36V78.4Confident85.8Confident63 Ų6377.1 Ų77.138%0.38243%0.429SS..SBendtrans-93.5-65.3164179.10000109.1A59 Y64V36-A59 PolarHBondContact O-N 3.34Å; V36-A59 VanDerWaalsContact O-N 3.12Å; V36-Y64 HydrophobicContact CB-CE1 4.2Å; V36-Y64 HydrophobicContact CG1-CD1 3.95Å; V36-Y64 HydrophobicContact CG1-CE1 3.52Å; V36-Y64 HydrophobicContact CG2-CE1 3.89Å
37F71.6Confident85.8Confident67 Ų6775.9 Ų75.929%0.29442%0.422SS..EExtended strand (participates in β ladder)trans-149.6141.1167.5-67.4-72.6000109.5T58 L67 S71F37-T58 HydrophobicContact CD1-CG2 4.45Å; F37-T58 HydrophobicContact CE1-CG2 4.32Å; F37-L67 HydrophobicContact CE2-CB 3.85Å; F37-L67 HydrophobicContact CZ-CB 3.87Å; F37-L67 WeakPolarHBondContact CZ-O 3.43Å; F37-S71 VanDerWaalsContact CD1-OG 3.3Å; F37-S71 WeakPolarHBondContact CD1-OG 3.4Å; F37-S71 VanDerWaalsContact CE1-OG 3.26Å; F37-S71 WeakPolarHBondContact CE1-OG 3.29Å
38D84.6Confident85.9Confident78 Ų7876.4 Ų76.442%0.41743%0.433SS..EExtended strand (participates in β ladder)trans-145.7152.2170.1-111.9-39000110.7T35 Y40 D57T35-D38 HydrophobicContact CG2-CB 4.27Å; D38-Y40 HydrophobicContact CB-CE2 3.77Å; D38-Y40 PolarHBondContact OD2-OH 3.5Å; D38-D57 HydrophobicContact CB-CB 4.19Å; D38-D57 PolarHBondContact N-O 3.08Å; D38-D57 PolarHBondContact O-N 3.42Å
39N86.3Confident86Confident91 Ų9176.8 Ų76.849%0.48743%0.434SS..EExtended strand (participates in β ladder)trans-123.8122179.2-69.5-53.6000110.1L55 W56N39-L55 WeakPolarHBondContact CA-O 3.39Å; N39-W56 VanDerWaalsContact OD1-CE2 3.28Å
40Y90.4Very high86.4Confident55 Ų5578.1 Ų78.122%0.21644%0.443CS..EExtended strand (participates in β ladder)trans-115.1164.9173.3-49.3-89.7000110.2L20 I21 D38 L55 D57L20-Y40 HydrophobicContact CB-CD2 4.12Å; L20-Y40 HydrophobicContact CB-CE2 4.22Å; L20-Y40 HydrophobicContact CD1-CD2 4.2Å; L20-Y40 HydrophobicContact CD1-CE2 4.29Å; I21-Y40 HydrophobicContact CG1-CE1 4.31Å; D38-Y40 HydrophobicContact CB-CE2 3.77Å; D38-Y40 PolarHBondContact OD2-OH 3.5Å; Y40-L55 PolarHBondContact N-O 3.41Å; Y40-L55 PolarHBondContact O-N 3.5Å; Y40-D57 HydrophobicContact CE2-CB 4.2Å
41S91.4Very high87.2Confident82 Ų8274.1 Ų74.157%0.57340%0.401SS*.EExtended strand (participates in β ladder)trans-142.5149.917164.60000111.6L53S41-L53 CarbonylContact C-O 3.5Å; S41-L53 VanDerWaalsContact CA-O 3.24Å; S41-L53 WeakPolarHBondContact CA-O 3.45Å
42A91.3Very high87.9Confident16 Ų1669.2 Ų69.213%0.13238%0.38CS..EExtended strand (participates in β ladder)trans-139.4130.9174.100000110.2Y23 V44 L53Y23-A42 HydrophobicContact CE1-CB 3.88Å; A42-V44 HydrophobicContact CB-CG1 4.18Å; A42-L53 PolarHBondContact N-O 3.33Å; A42-L53 PolarHBondContact O-N 2.93Å
43N93.7Very high88.9Confident111 Ų11162.8 Ų62.859%0.59436%0.355SS*.EExtended strand (participates in β ladder)trans-90.1117.2170.1-68.2-30.8000108.6M1 V51M1-N43 HydrophobicContact SD-CB 4.5Å; N43-V51 WeakPolarHBondContact CA-O 3.45Å
44V94.4Very high89.7Confident33 Ų3357.6 Ų57.620%0.233%0.333CS..EExtended strand (participates in β ladder)trans-136.1157.4-173.9-640000112.5Y23 A42 V46 V51 I192Y23-V44 WeakPolarHBondContact OH-CG1 3.47Å; A42-V44 HydrophobicContact CB-CG1 4.18Å; V44-V46 HydrophobicContact CG2-CG2 4.25Å; V44-V51 HydrophobicContact CG2-CB 4.38Å; V44-V51 PolarHBondContact N-O 3.02Å; V44-V51 PolarHBondContact O-N 2.79Å; V44-I192 HydrophobicContact CG2-CD1 3.46Å; V44-I192 VanDerWaalsContact CG2-CD1 3.46Å
45M94.3Very high90.5Very high118 Ų11854.1 Ų54.158%0.58131%0.31SS*.EExtended strand (participates in β ladder)trans-104.9117.8172.9-69.9-67.3-70.300109.1G48 P50M45-G48 WeakPolarHBondContact CE-O 3.33Å; M45-P50 VanDerWaalsContact SD-CA 3.56Å; M45-P50 HydrophobicContact SD-CB 3.68Å; M45-P50 HydrophobicContact SD-CG 4.44Å
46V93.9Very high91Very high4 Ų456.7 Ų56.72%0.02432%0.318CS..EExtended strand (participates in β ladder)trans-125.4124.7174.6179.80000108.6V44 G48 K49 I192 R193V44-V46 HydrophobicContact CG2-CG2 4.25Å; V46-G48 PolarHBondContact O-N 2.86Å; V46-G48 VanDerWaalsContact O-N 3.17Å; V46-K49 PolarHBondContact N-O 3.38Å; V46-K49 VanDerWaalsContact N-O 3.11Å; V46-K49 WeakPolarHBondContact O-CB 3.37Å; V46-K49 PolarHBondContact O-N 2.66Å; V46-I192 HydrophobicContact CB-CB 4.47Å; V46-I192 HydrophobicContact CB-CG2 3.75Å; V46-I192 HydrophobicContact CG1-CB 4.39Å; V46-I192 HydrophobicContact CG1-CG2 3.9Å; V46-I192 HydrophobicContact CG2-CB 4.13Å; V46-I192 HydrophobicContact CG2-CD1 3.61Å; V46-I192 HydrophobicContact CG2-CG1 4.48Å; V46-I192 HydrophobicContact CG2-CG2 3.84Å; V46-R193 HydrophobicContact CG1-CG 3.76Å
47D92.3Very high91.8Very high100 Ų10053.7 Ų53.754%0.53530%0.3SS..THydrogen-bonded Turntrans49.540.8-177.7-52.6-17.2000113K49 R193D47-K49 PolarHBondContact O-N 3.25Å; D47-R193 IonicContact OD1-NE 3.25Å; D47-R193 PolarHBondContact OD1-NE 3.39Å; D47-R193 WeakPolarHBondContact OD2-CD 3.48Å; D47-R193 VanDerWaalsContact OD2-CG 3.32Å; D47-R193 WeakPolarHBondContact OD2-CG 3.25Å; D47-R193 IonicContact OD2-NE 3.44Å; D47-R193 PolarHBondContact OD2-NE 3.33Å
48G91.9Very high92.9Very high62 Ų6250.5 Ų50.564%0.63929%0.286SS*.THydrogen-bonded Turntrans75.32-17900000115.3M45 V46M45-G48 WeakPolarHBondContact CE-O 3.33Å; V46-G48 PolarHBondContact O-N 2.86Å; V46-G48 VanDerWaalsContact O-N 3.17Å
49K92Very high93.2Very high103 Ų10346.9 Ų46.945%0.44827%0.266SS..EExtended strand (participates in β ladder)trans-102.4127.7-179.9-64.8173.9179.5175.80111.2V46 D47 L196V46-K49 PolarHBondContact N-O 3.38Å; V46-K49 VanDerWaalsContact N-O 3.11Å; V46-K49 WeakPolarHBondContact O-CB 3.37Å; V46-K49 PolarHBondContact O-N 2.66Å; D47-K49 PolarHBondContact O-N 3.25Å; K49-L196 HydrophobicContact CB-CD1 4.4Å; K49-L196 HydrophobicContact CD-CD1 4.07Å
50P95.2Very high93.4Very high60 Ų6042.9 Ų42.939%0.3925%0.247SC..EExtended strand (participates in β ladder)trans-76.2123.7174.428.7-32.7000111.3M1 Q2 M45M1-P50 WeakPolarHBondContact CA-O 3.43Å; M1-P50 HydrophobicContact CE-CB 4.32Å; M1-P50 HydrophobicContact CG-CB 4.31Å; Q2-P50 PolarHBondContact N-O 2.69Å; M45-P50 VanDerWaalsContact SD-CA 3.56Å; M45-P50 HydrophobicContact SD-CB 3.68Å; M45-P50 HydrophobicContact SD-CG 4.44Å
51V95.6Very high93.4Very high1 Ų143 Ų431%0.00625%0.249CC..EExtended strand (participates in β ladder)trans-123.7137.3-177.1173.70000110.1Q2 I4 N43 V44 L53 I192 L196Q2-V51 WeakPolarHBondContact O-CA 3.22Å; I4-V51 HydrophobicContact CB-CG1 4.17Å; I4-V51 HydrophobicContact CD1-CG1 3.71Å; I4-V51 HydrophobicContact CD1-CG2 4.35Å; I4-V51 HydrophobicContact CG1-CG1 3.92Å; N43-V51 WeakPolarHBondContact CA-O 3.45Å; V44-V51 HydrophobicContact CG2-CB 4.38Å; V44-V51 PolarHBondContact N-O 3.02Å; V44-V51 PolarHBondContact O-N 2.79Å; V51-L53 HydrophobicContact CG1-CB 4.48Å; V51-I192 HydrophobicContact CG1-CD1 4.2Å; V51-I192 HydrophobicContact CG1-CG1 4.3Å; V51-I192 HydrophobicContact CG1-CG2 4.36Å; V51-I192 HydrophobicContact CG2-CG2 3.96Å; V51-L196 HydrophobicContact CG2-CD1 4.13Å
52N94.3Very high93.2Very high59 Ų5946.1 Ų46.132%0.31626%0.255SS..EExtended strand (participates in β ladder)trans-98.9106.3163.8-179.3-22.6000107.5M1 Q2 A3 I4M1-N52 HydrophobicContact CG-CB 4.09Å; M1-N52 HydrophobicContact SD-CB 3.91Å; Q2-N52 PolarHBondContact O-N 2.9Å; A3-N52 CarbonylContact C-O 3.57Å; A3-N52 WeakPolarHBondContact CA-O 3.47Å; I4-N52 PolarHBondContact N-O 3.21Å
53L95.1Very high93.3Very high0 Ų052.2 Ų52.20%029%0.285CS..EExtended strand (participates in β ladder)trans-92.6107.5-179.6-177.266.9000109.5I4 C6 Y23 S41 A42 V51 L55 F188 I192I4-L53 HydrophobicContact CB-CD1 4.09Å; I4-L53 HydrophobicContact CG2-CD1 3.82Å; I4-L53 CarbonylContact O-C 3.57Å; I4-L53 WeakPolarHBondContact O-CA 3.24Å; C6-L53 HydrophobicContact CB-CD1 3.78Å; Y23-L53 HydrophobicContact CE1-CD2 4.07Å; S41-L53 CarbonylContact C-O 3.5Å; S41-L53 VanDerWaalsContact CA-O 3.24Å; S41-L53 WeakPolarHBondContact CA-O 3.45Å; A42-L53 PolarHBondContact N-O 3.33Å; A42-L53 PolarHBondContact O-N 2.93Å; V51-L53 HydrophobicContact CG1-CB 4.48Å; L53-L55 HydrophobicContact CD2-CD2 3.69Å; L53-L55 HydrophobicContact CD2-CG 4.28Å; L53-L55 HydrophobicContact CG-CD2 3.86Å; L53-L55 HydrophobicContact CG-CG 4.17Å; L53-F188 HydrophobicContact CD2-CB 4.21Å; L53-F188 HydrophobicContact CD2-CD1 3.92Å; L53-F188 HydrophobicContact CD2-CG 4.43Å; L53-I192 HydrophobicContact CB-CD1 4.43Å; L53-I192 HydrophobicContact CD1-CD1 4.46Å; L53-I192 HydrophobicContact CD1-CG1 4.03Å; L53-I192 HydrophobicContact CD2-CD1 4.07Å; L53-I192 HydrophobicContact CD2-CG1 4.36Å
54G95.3Very high93.1Very high17 Ų1750.1 Ų50.118%0.17527%0.27CS..EExtended strand (participates in β ladder)trans-82.9126168.200000110.8I4 C6I4-G54 PolarHBondContact O-N 3.31Å; C6-G54 PolarHBondContact N-O 3.28Å
55L94.7Very high93Very high1 Ų151.1 Ų51.11%0.00527%0.274CS..EExtended strand (participates in β ladder)trans-113.2115.9-174.2-64.3165.8000109.4C6 L20 Y23 T24 N39 Y40 L53 F188C6-L55 HydrophobicContact CB-CD2 4.08Å; C6-L55 WeakPolarHBondContact O-CA 3.45Å; L20-L55 HydrophobicContact CD2-CB 3.91Å; L20-L55 HydrophobicContact CD2-CD1 4.05Å; L20-L55 HydrophobicContact CD2-CD2 3.8Å; L20-L55 HydrophobicContact CD2-CG 4.12Å; Y23-L55 HydrophobicContact CD1-CD1 3.89Å; Y23-L55 HydrophobicContact CE1-CD1 4.17Å; T24-L55 HydrophobicContact CG2-CD1 3.57Å; N39-L55 WeakPolarHBondContact CA-O 3.39Å; Y40-L55 PolarHBondContact N-O 3.41Å; Y40-L55 PolarHBondContact O-N 3.5Å; L53-L55 HydrophobicContact CD2-CD2 3.69Å; L53-L55 HydrophobicContact CD2-CG 4.28Å; L53-L55 HydrophobicContact CG-CD2 3.86Å; L53-L55 HydrophobicContact CG-CG 4.17Å; L55-F188 HydrophobicContact CD2-CD1 3.88Å; L55-F188 HydrophobicContact CD2-CE1 3.59Å
56W94.6Very high92.7Very high69 Ų6956.6 Ų56.626%0.26129%0.288SS..EExtended strand (participates in β ladder)trans-102.2106179.8-70.364.9000109.4K5 C6 V7 V8 N39K5-W56 VanDerWaalsContact CE-CE2 3.47Å; K5-W56 HydrophobicContact CG-CG 4.46Å; C6-W56 PolarHBondContact O-N 3.36Å; V7-W56 HydrophobicContact CB-CB 4.34Å; V7-W56 HydrophobicContact CG1-CB 4.22Å; V7-W56 HydrophobicContact CG2-CB 3.99Å; V7-W56 HydrophobicContact CG2-CG 4.29Å; V8-W56 PolarHBondContact N-O 2.91Å; N39-W56 VanDerWaalsContact OD1-CE2 3.28Å
57D94.4Very high92.4Very high0 Ų060.1 Ų60.10%031%0.306CS..EExtended strand (participates in β ladder)trans-79.7140.1172.2-160.411.1000110T17 L20 T35 D38 Y40T17-D57 WeakPolarHBondContact CA-OD2 3.24Å; T17-D57 VanDerWaalsContact CB-OD2 3.24Å; T17-D57 WeakPolarHBondContact CB-OD2 3.38Å; T17-D57 WeakPolarHBondContact CG2-OD2 3.23Å; T17-D57 PolarHBondContact OG1-OD2 2.93Å; L20-D57 HydrophobicContact CD1-CB 3.43Å; L20-D57 VanDerWaalsContact CD1-CB 3.43Å; T35-D57 HydrophobicContact CG2-CB 4.09Å; T35-D57 WeakPolarHBondContact CG2-OD2 3.3Å; T35-D57 PolarHBondContact OG1-OD2 3.16Å; D38-D57 HydrophobicContact CB-CB 4.19Å; D38-D57 PolarHBondContact N-O 3.08Å; D38-D57 PolarHBondContact O-N 3.42Å; Y40-D57 HydrophobicContact CE2-CB 4.2Å
58T94.2Very high92.4Very high1 Ų155.4 Ų55.41%0.00628%0.281CS..EExtended strand (participates in β ladder)trans-132.4146.2-177.571.40000112.3V7 V8 K16 F37 R68V7-T58 HydrophobicContact CG1-CG2 3.91Å; V8-T58 PolarHBondContact O-OG1 3.36Å; K16-T58 WeakPolarHBondContact CE-O 3.46Å; K16-T58 PolarHBondContact NZ-O 3.28Å; F37-T58 HydrophobicContact CD1-CG2 4.45Å; F37-T58 HydrophobicContact CE1-CG2 4.32Å; T58-R68 HydrophobicContact CG2-CG 4.19Å
59A91.9Very high92.3Very high1 Ų153.9 Ų53.91%0.00826%0.26CS..  trans-58.7136.6170.400000111.8T35 V36 Y64 R68T35-A59 WeakPolarHBondContact O-CA 3.34Å; T35-A59 WeakPolarHBondContact O-CB 3.34Å; V36-A59 PolarHBondContact O-N 3.34Å; V36-A59 VanDerWaalsContact O-N 3.12Å; A59-Y64 HydrophobicContact CB-CD1 4.13Å; A59-Y64 HydrophobicContact CB-CD2 3.51Å; A59-Y64 HydrophobicContact CB-CE2 4.26Å; A59-Y64 HydrophobicContact CB-CG 3.44Å; A59-Y64 VanDerWaalsContact CB-CG 3.44Å; A59-R68 PolarHBondContact O-NE 2.87Å; A59-R68 PolarHBondContact O-NH2 3.18Å
60G90.3Very high92Very high7 Ų754 Ų547%0.07227%0.265CS..  trans-97.1-6.7178.100000114.6G10 G12G10-G60 WeakPolarHBondContact O-CA 3.48Å; G12-G60 PolarHBondContact N-O 3.46Å
61Q89.9Confident91.6Very high57 Ų5751.3 Ų51.327%0.26625%0.248SC..SBendtrans-81.9149.9-178.5-54.584.1-17.100110.8D63 Y64 R68Q61-D63 PolarHBondContact O-N 2.97Å; Q61-Y64 HydrophobicContact CB-CD2 4.15Å; Q61-Y64 PolarHBondContact O-N 2.77Å; Q61-R68 PolarHBondContact O-NH2 3.03Å
62E88.6Confident91.3Very high148 Ų14851.3 Ų51.369%0.69225%0.248SC*.G310 helixtrans-62.8-30.5179.9-66.6-177.8173.200112.9Y64 D65E62-Y64 PolarHBondContact O-N 3.39Å; E62-D65 VanDerWaalsContact O-CB 3.31Å; E62-D65 WeakPolarHBondContact O-CB 3.34Å; E62-D65 VanDerWaalsContact O-CG 3.24Å; E62-D65 PolarHBondContact O-N 3.46Å
63D91.9Very high90.3Very high145 Ų14549 Ų4978%0.77524%0.235SC*.G310 helixtrans-54.7-23.7176.3-60.2-36.4000113.1Q61Q61-D63 PolarHBondContact O-N 2.97Å
64Y91.2Very high88.3Confident67 Ų6754.3 Ų54.326%0.26326%0.26SS..G310 helixtrans-103.67.3-179-62-85.4000113.8V36 A59 Q61 E62 R66 L67 R68V36-Y64 HydrophobicContact CB-CE1 4.2Å; V36-Y64 HydrophobicContact CG1-CD1 3.95Å; V36-Y64 HydrophobicContact CG1-CE1 3.52Å; V36-Y64 HydrophobicContact CG2-CE1 3.89Å; A59-Y64 HydrophobicContact CB-CD1 4.13Å; A59-Y64 HydrophobicContact CB-CD2 3.51Å; A59-Y64 HydrophobicContact CB-CE2 4.26Å; A59-Y64 HydrophobicContact CB-CG 3.44Å; A59-Y64 VanDerWaalsContact CB-CG 3.44Å; Q61-Y64 HydrophobicContact CB-CD2 4.15Å; Q61-Y64 PolarHBondContact O-N 2.77Å; E62-Y64 PolarHBondContact O-N 3.39Å; Y64-R66 PolarHBondContact O-N 3.06Å; Y64-R66 VanDerWaalsContact O-N 3.15Å; Y64-L67 HydrophobicContact CD1-CD1 3.94Å; Y64-L67 HydrophobicContact CE1-CD1 4.47Å; Y64-L67 PolarHBondContact O-N 3.21Å; Y64-R68 PolarHBondContact O-N 3.03Å
65D90.6Very high85.9Confident53 Ų5358.9 Ų58.928%0.28329%0.285SS..THydrogen-bonded Turntrans-57.2-33-177.9-77.2-6.8000112.8E62 R68 P69 K115E62-D65 VanDerWaalsContact O-CB 3.31Å; E62-D65 WeakPolarHBondContact O-CB 3.34Å; E62-D65 VanDerWaalsContact O-CG 3.24Å; E62-D65 PolarHBondContact O-N 3.46Å; D65-R68 IonicContact OD1-CZ 2.7Å; D65-R68 VanDerWaalsContact OD1-CZ 3.23Å; D65-R68 IonicContact OD1-NH1 2.65Å; D65-R68 PolarHBondContact OD1-NH1 3.36Å; D65-R68 IonicContact OD1-NH2 2.85Å; D65-R68 PolarHBondContact OD1-NH2 2.89Å; D65-P69 WeakPolarHBondContact O-CD 3.28Å; D65-K115 VanDerWaalsContact CG-NZ 3.28Å; D65-K115 WeakPolarHBondContact OD1-CE 3.3Å; D65-K115 IonicContact OD1-NZ 2.8Å; D65-K115 PolarHBondContact OD1-NZ 3.39Å; D65-K115 IonicContact OD2-NZ 3.6Å; D65-K115 PolarHBondContact OD2-NZ 2.86Å
66R88.5Confident83.4Confident233 Ų23365.1 Ų65.188%0.87932%0.323SS*.THydrogen-bonded Turntrans-78.4-23.9176.7-64.1-176-179-177.80.9113.7Y64Y64-R66 PolarHBondContact O-N 3.06Å; Y64-R66 VanDerWaalsContact O-N 3.15Å
67L87.8Confident81Confident79 Ų7965.1 Ų65.141%0.41434%0.344SS..THydrogen-bonded Turntrans-93-33.2-177.2-64.4176.5000111.6F37 Y64 P69 L70F37-L67 HydrophobicContact CE2-CB 3.85Å; F37-L67 HydrophobicContact CZ-CB 3.87Å; F37-L67 WeakPolarHBondContact CZ-O 3.43Å; Y64-L67 HydrophobicContact CD1-CD1 3.94Å; Y64-L67 HydrophobicContact CE1-CD1 4.47Å; Y64-L67 PolarHBondContact O-N 3.21Å; L67-P69 VanDerWaalsContact C-CD 3.46Å; L67-L70 HydrophobicContact CD2-CD1 4.1Å; L67-L70 WeakPolarHBondContact O-CB 3.25Å; L67-L70 VanDerWaalsContact O-CG 3.23Å; L67-L70 WeakPolarHBondContact O-CG 3.33Å; L67-L70 PolarHBondContact O-N 3.01Å
68R92.1Very high78.3Confident0 Ų074 Ų740%039%0.385CS..G310 helixtrans-54-41.5-176.5-161.3-176.2-52.2104.17.1114.2T58 A59 Q61 Y64 D65 L70 S71 Y72 W116 E119T58-R68 HydrophobicContact CG2-CG 4.19Å; A59-R68 PolarHBondContact O-NE 2.87Å; A59-R68 PolarHBondContact O-NH2 3.18Å; Q61-R68 PolarHBondContact O-NH2 3.03Å; Y64-R68 PolarHBondContact O-N 3.03Å; D65-R68 IonicContact OD1-CZ 2.7Å; D65-R68 VanDerWaalsContact OD1-CZ 3.23Å; D65-R68 IonicContact OD1-NH1 2.65Å; D65-R68 PolarHBondContact OD1-NH1 3.36Å; D65-R68 IonicContact OD1-NH2 2.85Å; D65-R68 PolarHBondContact OD1-NH2 2.89Å; R68-L70 PolarHBondContact O-N 3.46Å; R68-S71 WeakPolarHBondContact O-CB 3.32Å; R68-S71 PolarHBondContact O-N 2.98Å; R68-Y72 WeakPolarHBondContact CD-OH 3.38Å; R68-Y72 HydrophobicContact CG-CE1 4.23Å; R68-Y72 WeakPolarHBondContact CG-OH 3.48Å; R68-W116 VanDerWaalsContact CZ-CH2 3.49Å; R68-W116 VanDerWaalsContact CZ-CZ3 3.46Å; R68-E119 WeakPolarHBondContact CD-OE1 3.44Å; R68-E119 IonicContact CZ-OE1 2.95Å; R68-E119 IonicContact NE-OE1 3.23Å; R68-E119 VanDerWaalsContact NH1-CD 3.32Å; R68-E119 IonicContact NH1-OE1 2.77Å; R68-E119 PolarHBondContact NH1-OE1 2.64Å; R68-E119 IonicContact NH1-OE2 3.95Å; R68-E119 PolarHBondContact NH1-OE2 3Å
69P90Very high75.5Confident31 Ų3179.4 Ų79.420%0.20142%0.419CS..G310 helixtrans-61.2-18.7178.7-26.737.4000114.6D65 L67 S71 Y72D65-P69 WeakPolarHBondContact O-CD 3.28Å; L67-P69 VanDerWaalsContact C-CD 3.46Å; P69-S71 PolarHBondContact O-N 3.24Å; P69-S71 VanDerWaalsContact O-N 3.15Å; P69-Y72 HydrophobicContact CB-CD2 4.19Å; P69-Y72 HydrophobicContact CB-CE2 4.46Å; P69-Y72 PolarHBondContact O-N 3.48Å; P69-Y72 VanDerWaalsContact O-N 3.12Å
70L86.8Confident72.8Confident105 Ų10591.3 Ų91.355%0.5547%0.465SS..G310 helixtrans-61.8-21.9175.6-59177000112.6L67 R68 P73L67-L70 HydrophobicContact CD2-CD1 4.1Å; L67-L70 WeakPolarHBondContact O-CB 3.25Å; L67-L70 VanDerWaalsContact O-CG 3.23Å; L67-L70 WeakPolarHBondContact O-CG 3.33Å; L67-L70 PolarHBondContact O-N 3.01Å; R68-L70 PolarHBondContact O-N 3.46Å; L70-P73 WeakPolarHBondContact O-CD 3.45Å
71S87Confident70.6Confident4 Ų493.6 Ų93.63%0.02849%0.489CS..G310 helixtrans-85.1-13.2177.4-62.90000114.6K5 F37 R68 P69 P73K5-S71 WeakPolarHBondContact CE-O 3.44Å; K5-S71 PolarHBondContact NZ-O 3.28Å; F37-S71 VanDerWaalsContact CD1-OG 3.3Å; F37-S71 WeakPolarHBondContact CD1-OG 3.4Å; F37-S71 VanDerWaalsContact CE1-OG 3.26Å; F37-S71 WeakPolarHBondContact CE1-OG 3.29Å; R68-S71 WeakPolarHBondContact O-CB 3.32Å; R68-S71 PolarHBondContact O-N 2.98Å; P69-S71 PolarHBondContact O-N 3.24Å; P69-S71 VanDerWaalsContact O-N 3.15Å; S71-P73 WeakPolarHBondContact O-CD 3.28Å
72Y87.4Confident68Low1 Ų199.6 Ų99.60%0.00451%0.514CS..SBendtrans-88.4-16.8-172.7-58.4-14.6000118.9V7 V9 R68 P69 A94 F97 E119 H123 C124V7-Y72 HydrophobicContact CG1-CD1 3.85Å; V7-Y72 HydrophobicContact CG1-CE1 3.74Å; V9-Y72 HydrophobicContact CG1-CE1 3.76Å; V9-Y72 WeakPolarHBondContact CG1-OH 3.44Å; R68-Y72 WeakPolarHBondContact CD-OH 3.38Å; R68-Y72 HydrophobicContact CG-CE1 4.23Å; R68-Y72 WeakPolarHBondContact CG-OH 3.48Å; P69-Y72 HydrophobicContact CB-CD2 4.19Å; P69-Y72 HydrophobicContact CB-CE2 4.46Å; P69-Y72 PolarHBondContact O-N 3.48Å; P69-Y72 VanDerWaalsContact O-N 3.12Å; Y72-A94 PolarHBondContact O-N 3.18Å; Y72-A94 VanDerWaalsContact O-N 3.16Å; Y72-F97 AromaticContact CD1-CE1 3.5Å; Y72-F97 HydrophobicContact CD1-CE1 3.5Å; Y72-F97 AromaticContact CD1-CZ 3.84Å; Y72-F97 HydrophobicContact CD1-CZ 3.84Å; Y72-F97 AromaticContact CE1-CE1 3.64Å; Y72-F97 HydrophobicContact CE1-CE1 3.64Å; Y72-F97 HydrophobicContact CE1-CZ 4.38Å; Y72-F97 HydrophobicContact CG-CE1 4.01Å; Y72-F97 AromaticContact CG-CZ 3.92Å; Y72-F97 HydrophobicContact CG-CZ 3.92Å; Y72-E119 HydrophobicContact CE2-CG 4.3Å; Y72-E119 PolarHBondContact OH-OE1 3.29Å; Y72-H123 HydrophobicContact CD2-CB 3.75Å; Y72-H123 AromaticContact CD2-CD2 3.91Å; Y72-H123 AromaticContact CD2-CG 3.93Å; Y72-C124 PolarHBondContact O-SG 3Å
73P73.8Confident65.5Low9 Ų999.3 Ų99.36%0.05852%0.517CS..  trans-58.9128-130.525.4-39.9000118.6L70 S71 K91 I93L70-P73 WeakPolarHBondContact O-CD 3.45Å; S71-P73 WeakPolarHBondContact O-CD 3.28Å; P73-K91 HydrophobicContact CB-CD 3.72Å; P73-K91 HydrophobicContact CB-CG 4.23Å; P73-K91 HydrophobicContact CG-CB 4.45Å; P73-K91 HydrophobicContact CG-CD 3.39Å; P73-K91 VanDerWaalsContact CG-CE 3.45Å; P73-K91 HydrophobicContact CG-CG 3.6Å; P73-I93 WeakPolarHBondContact O-CA 3.37Å; P73-I93 WeakPolarHBondContact O-CG1 2.99Å; P73-I93 PolarHBondContact O-N 3.23Å
74Q52.7Low63.2Low112 Ų112100.9 Ų100.952%0.52352%0.524SS..  -97.4125.9117.1-83.7-173-19.600108.2V76 I93Q74-V76 HydrophobicContact CB-CG2 4.15Å; Q74-I93 HydrophobicContact CG-CB 4.43Å; Q74-I93 HydrophobicContact CG-CD1 3.37Å; Q74-I93 HydrophobicContact CG-CG1 3.52Å; Q74-I93 HydrophobicContact CG-CG2 4.05Å; Q74-I93 VanDerWaalsContact NE2-CD1 3.34Å
75T44.8Very low60.8Low114 Ų114103.1 Ų103.170%0.69955%0.545SS*.  trans-88.4104.315543.30000107.7
76V42.8Very low58.4Low132 Ų132106 Ų10680%0.857%0.569SS**  trans-11592.4157.4-137.50000105.8Q74Q74-V76 HydrophobicContact CB-CG2 4.15Å
77G43.6Very low56.8Low68 Ų68107.1 Ų107.170%0.70157%0.573SS**SBendtrans-176.1-7.9-172.400000117.2
78E39.1Very low54.5Low186 Ų186106.6 Ų106.687%0.86959%0.587SS**SBendtrans-138.849.8169.1-72-170.5177.200112.3
79T33.9Very low52.1Low116 Ų116116.6 Ų116.671%0.71263%0.63SS**  trans-162.885.9148.3-15.80000110.2G81T79-G81 PolarHBondContact O-N 3.29Å
80Y35.5Very low50.1Low251 Ų251122.2 Ų122.298%0.98466%0.658SS**SBendtrans-78.298.4150.4-146.6-97.4000105.6
81G43.9Very low48.1Very low55 Ų55122.4 Ų122.457%0.56766%0.655SS**SBendtrans99.694.7174.100000115.6T79T79-G81 PolarHBondContact O-N 3.29Å
82K35.5Very low46.4Very low183 Ų183125.8 Ų125.880%0.79668%0.677SS**  177.5116.2124.8-100.2174.2177.2177.30110.3
83D37.3Very low45.8Very low142 Ų142128.7 Ų128.776%0.75969%0.692SS**  trans39.697.3148.8-55-33.3000118.5T85D83-T85 PolarHBondContact O-N 3.18Å
84I42.3Very low46.2Very low178 Ų178128.3 Ų128.391%0.91369%0.69SS**  trans-87.285.3166.2-59.9169.8000107.7
85T40.4Very low48.1Very low113 Ų113125.7 Ų125.769%0.69368%0.679SS**  trans-127.8120.1163.256.50000108.6D83D83-T85 PolarHBondContact O-N 3.18Å
86S41.9Very low50.6Low115 Ų115120.3 Ų120.380%0.80465%0.646SS**SBendtrans78.479.3158.9-41.10000116.7
87R53.9Low53.2Low256 Ų256114 Ų11497%0.96661%0.608SS**  trans33.8103.6161.9-76.9-176175.2-180-0.7116.9
88G39.5Very low55.8Low67 Ų67110.8 Ų110.869%0.69158%0.575SS**  trans166.9130.3154.500000116.8
89K40.8Very low58.6Low210 Ų210101.9 Ų101.991%0.91353%0.533SS*.  trans108.940.6163.7-59.5-175.4-177.7177.10116.8K91K89-K91 PolarHBondContact O-N 2.73Å
90D49.5Very low61.7Low149 Ų14996.4 Ų96.480%0.79750%0.499SS*.  trans-47.2106.7152.5-47.8-78.1000113.1
91K45.3Very low64.8Low109 Ų10984.4 Ų84.447%0.47445%0.452SS..PPolyproline II helixtrans-92.9124.9154.8-160.7173.8-175.2-156.10106.4P73 K89 I93P73-K91 HydrophobicContact CB-CD 3.72Å; P73-K91 HydrophobicContact CB-CG 4.23Å; P73-K91 HydrophobicContact CG-CB 4.45Å; P73-K91 HydrophobicContact CG-CD 3.39Å; P73-K91 VanDerWaalsContact CG-CE 3.45Å; P73-K91 HydrophobicContact CG-CG 3.6Å; K89-K91 PolarHBondContact O-N 2.73Å; K91-I93 PolarHBondContact O-N 2.95Å
92P50.4Low67.4Low76 Ų7682 Ų8249%0.49443%0.427SS..PPolyproline II helixtrans-64.4116.7-176.922.4-30.4000110K5K5-P92 HydrophobicContact CD-CB 3.98Å; K5-P92 HydrophobicContact CD-CG 4.24Å; K5-P92 WeakPolarHBondContact CD-O 3.4Å; K5-P92 PolarHBondContact NZ-O 3.02Å
93I74.6Confident70.4Confident61 Ų6173.3 Ų73.331%0.31339%0.389SS..PPolyproline II helixtrans-61.7141.3167.4-49.4168.4000106.6P73 Q74 K91 D95P73-I93 WeakPolarHBondContact O-CA 3.37Å; P73-I93 WeakPolarHBondContact O-CG1 2.99Å; P73-I93 PolarHBondContact O-N 3.23Å; Q74-I93 HydrophobicContact CG-CB 4.43Å; Q74-I93 HydrophobicContact CG-CD1 3.37Å; Q74-I93 HydrophobicContact CG-CG1 3.52Å; Q74-I93 HydrophobicContact CG-CG2 4.05Å; Q74-I93 VanDerWaalsContact NE2-CD1 3.34Å; K91-I93 PolarHBondContact O-N 2.95Å; I93-D95 PolarHBondContact O-N 2.98Å
94A82.8Confident73.3Confident2 Ų267.5 Ų67.52%0.01736%0.359CS..PPolyproline II helixtrans-54.7119.2165.500000108.6V7 Y72 F97 T127V7-A94 HydrophobicContact CB-CB 4.34Å; V7-A94 HydrophobicContact CG2-CB 3.56Å; Y72-A94 PolarHBondContact O-N 3.18Å; Y72-A94 VanDerWaalsContact O-N 3.16Å; A94-F97 HydrophobicContact CB-CD2 4.11Å; A94-F97 HydrophobicContact CB-CE1 4.22Å; A94-F97 HydrophobicContact CB-CE2 3.37Å; A94-F97 HydrophobicContact CB-CZ 3.44Å; A94-F97 VanDerWaalsContact CB-CZ 3.44Å; A94-T127 WeakPolarHBondContact O-CG2 3.31Å; A94-T127 PolarHBondContact O-OG1 3.32Å
95D92.6Very high76Confident57 Ų5761.1 Ų61.131%0.30533%0.33SS..SBendtrans-78.7-28.5177.8-65.2-59.4000110.5I4 K5 I93 T127 P128 V195I4-D95 WeakPolarHBondContact CA-OD2 3.41Å; I4-D95 HydrophobicContact CG2-CB 3.96Å; K5-D95 PolarHBondContact N-OD2 3.14Å; K5-D95 PolarHBondContact O-N 3.22Å; I93-D95 PolarHBondContact O-N 2.98Å; D95-T127 WeakPolarHBondContact O-CG2 3.46Å; D95-P128 VanDerWaalsContact O-CD 3.25Å; D95-P128 WeakPolarHBondContact O-CD 3.37Å; D95-P128 WeakPolarHBondContact O-CG 3.42Å; D95-V195 HydrophobicContact CB-CG1 4.01Å; D95-V195 HydrophobicContact CB-CG2 3.84Å; D95-V195 WeakPolarHBondContact O-CG2 3.24Å
96V96.2Very high78.7Confident0 Ų056.8 Ų56.80%030%0.304CS..EExtended strand (participates in β ladder)trans-152.1147.1176.661.60000110.8I4 K5 C6 V7 P128 I130 A191 V195I4-V96 HydrophobicContact CG2-CG1 4.36Å; K5-V96 PolarHBondContact O-N 3.2Å; C6-V96 WeakPolarHBondContact CA-O 3.42Å; C6-V96 HydrophobicContact CB-CG1 3.72Å; V7-V96 PolarHBondContact N-O 3.05Å; V96-P128 HydrophobicContact CB-CG 4.23Å; V96-P128 HydrophobicContact CG2-CG 4.26Å; V96-I130 HydrophobicContact CG2-CG1 4.16Å; V96-A191 HydrophobicContact CG1-CB 4.16Å; V96-A191 HydrophobicContact CG2-CB 4.15Å; V96-V195 HydrophobicContact CB-CG2 3.81Å; V96-V195 HydrophobicContact CG1-CG2 4.09Å
97F97.9Very high81.4Confident0 Ų054.3 Ų54.30%029%0.29CS..EExtended strand (participates in β ladder)trans-109.7139170.5-76-91.6000111.6V7 V9 Y72 A94 V120 C124 T127 P128 I129 I130V7-F97 HydrophobicContact CB-CD1 3.86Å; V7-F97 HydrophobicContact CB-CE1 3.74Å; V7-F97 HydrophobicContact CB-CZ 4.48Å; V7-F97 HydrophobicContact CG1-CD1 4.24Å; V7-F97 HydrophobicContact CG1-CE1 3.95Å; V7-F97 HydrophobicContact CG2-CE1 4.36Å; V7-F97 WeakPolarHBondContact O-CA 3.42Å; V9-F97 HydrophobicContact CG1-CD1 4.35Å; Y72-F97 AromaticContact CD1-CE1 3.5Å; Y72-F97 HydrophobicContact CD1-CE1 3.5Å; Y72-F97 AromaticContact CD1-CZ 3.84Å; Y72-F97 HydrophobicContact CD1-CZ 3.84Å; Y72-F97 AromaticContact CE1-CE1 3.64Å; Y72-F97 HydrophobicContact CE1-CE1 3.64Å; Y72-F97 HydrophobicContact CE1-CZ 4.38Å; Y72-F97 HydrophobicContact CG-CE1 4.01Å; Y72-F97 AromaticContact CG-CZ 3.92Å; Y72-F97 HydrophobicContact CG-CZ 3.92Å; A94-F97 HydrophobicContact CB-CD2 4.11Å; A94-F97 HydrophobicContact CB-CE1 4.22Å; A94-F97 HydrophobicContact CB-CE2 3.37Å; A94-F97 HydrophobicContact CB-CZ 3.44Å; A94-F97 VanDerWaalsContact CB-CZ 3.44Å; F97-V120 HydrophobicContact CB-CG1 4.17Å; F97-V120 HydrophobicContact CD1-CG1 3.98Å; F97-V120 HydrophobicContact CD1-CG2 3.8Å; F97-V120 HydrophobicContact CD2-CG1 3.59Å; F97-V120 HydrophobicContact CE1-CG1 4.24Å; F97-V120 HydrophobicContact CE1-CG2 4.06Å; F97-V120 HydrophobicContact CE2-CG1 3.89Å; F97-V120 HydrophobicContact CG-CG1 3.64Å; F97-V120 HydrophobicContact CG-CG2 4.22Å; F97-V120 HydrophobicContact CZ-CG1 4.21Å; F97-C124 HydrophobicContact CD2-CB 4.48Å; F97-C124 HydrophobicContact CE2-CB 3.49Å; F97-C124 VanDerWaalsContact CE2-CB 3.49Å; F97-C124 HydrophobicContact CZ-CB 3.99Å; F97-T127 HydrophobicContact CD2-CG2 3.51Å; F97-T127 HydrophobicContact CE2-CG2 3.76Å; F97-P128 PolarHBondContact N-O 3.42Å; F97-I129 HydrophobicContact CB-CG1 4.31Å; F97-I129 WeakPolarHBondContact O-CA 3.45Å; F97-I130 PolarHBondContact O-N 2.91Å
98L98.6Very high83.6Confident0 Ų042.1 Ų42.10%024%0.244CC..EExtended strand (participates in β ladder)trans-100.3116.8159.1-54-173.7000108V7 V8 V9 L19 I130 V132 V187 F188 A191V7-L98 PolarHBondContact O-N 3.41Å; V8-L98 HydrophobicContact CB-CB 4.49Å; V8-L98 HydrophobicContact CG1-CB 4.16Å; V8-L98 HydrophobicContact CG2-CB 4.22Å; V8-L98 HydrophobicContact CG2-CD1 3.95Å; V8-L98 HydrophobicContact CG2-CG 4.28Å; V9-L98 PolarHBondContact N-O 3.46Å; L19-L98 HydrophobicContact CD2-CD1 4.18Å; L98-I130 WeakPolarHBondContact CA-O 3.21Å; L98-I130 HydrophobicContact CD2-CB 3.62Å; L98-I130 HydrophobicContact CD2-CG1 3.94Å; L98-I130 HydrophobicContact CD2-CG2 4.15Å; L98-V132 HydrophobicContact CB-CG2 4.27Å; L98-V132 HydrophobicContact CD2-CG2 4.22Å; L98-V187 HydrophobicContact CD1-CG1 3.83Å; L98-V187 HydrophobicContact CD2-CG1 4.22Å; L98-F188 HydrophobicContact CD1-CD1 4.44Å; L98-F188 HydrophobicContact CD1-CE1 3.94Å; L98-F188 HydrophobicContact CD1-CZ 4.49Å; L98-A191 HydrophobicContact CD2-CB 3.95Å
99I98.8Very high86.4Confident0 Ų039.6 Ų39.60%021%0.214CC..EExtended strand (participates in β ladder)trans-95.2114166.7-60.6-178.6000107.3V9 V112 W116 V120 I129 I130 L131 V132V9-I99 HydrophobicContact CG2-CB 4.36Å; V9-I99 HydrophobicContact CG2-CG1 3.75Å; I99-V112 HydrophobicContact CG2-CG1 4.08Å; I99-V112 HydrophobicContact CG2-CG2 4.17Å; I99-W116 HydrophobicContact CD1-CB 4.38Å; I99-W116 HydrophobicContact CG2-CB 3.72Å; I99-W116 HydrophobicContact CG2-CG 4.35Å; I99-V120 HydrophobicContact CD1-CG2 4.26Å; I99-V120 HydrophobicContact CG1-CG2 4.42Å; I99-I129 HydrophobicContact CB-CG2 4.42Å; I99-I129 HydrophobicContact CD1-CD1 4.16Å; I99-I129 HydrophobicContact CD1-CG2 3.71Å; I99-I129 HydrophobicContact CG1-CG2 3.86Å; I99-I130 PolarHBondContact N-O 3.15Å; I99-L131 HydrophobicContact CB-CD1 4.36Å; I99-L131 HydrophobicContact CG2-CD1 4.24Å; I99-V132 PolarHBondContact O-N 2.56Å
100C98.9Very high89.1Confident0 Ų033.3 Ų33.30%019%0.188CC..EExtended strand (participates in β ladder)trans-102.2138.6-176.3-64.50000111.7V8 V9 G10 V14 K16 V132 T134V8-C100 VanDerWaalsContact CG1-SG 3.59Å; V9-C100 PolarHBondContact O-N 2.8Å; G10-C100 VanDerWaalsContact CA-O 3.32Å; G10-C100 WeakPolarHBondContact CA-O 3.31Å; V14-C100 HydrophobicContact CG2-CB 3.97Å; K16-C100 HydrophobicContact CG-CB 4.1Å; C100-V132 WeakPolarHBondContact CA-O 3.17Å; C100-T134 HydrophobicContact CB-CG2 4.13Å
101F98.9Very high91.5Very high0 Ų029 Ų290%017%0.165CC..EExtended strand (participates in β ladder)trans-136.6156165.772.5-84.1000109.5L103 S108 F109 V112 L131 V132 G133 T134 I156 Y173F101-L103 HydrophobicContact CE2-CD2 3.67Å; F101-L103 HydrophobicContact CZ-CD2 3.94Å; F101-S108 WeakPolarHBondContact CB-O 3.19Å; F101-F109 HydrophobicContact CD1-CD2 4.19Å; F101-F109 HydrophobicContact CD2-CB 3.74Å; F101-F109 AromaticContact CD2-CD2 3.67Å; F101-F109 HydrophobicContact CD2-CD2 3.67Å; F101-F109 HydrophobicContact CD2-CG 4.15Å; F101-F109 AromaticContact CE1-CD2 3.97Å; F101-F109 HydrophobicContact CE1-CD2 3.97Å; F101-F109 HydrophobicContact CE1-CE2 4.32Å; F101-F109 HydrophobicContact CE2-CB 4.15Å; F101-F109 AromaticContact CE2-CD2 3.41Å; F101-F109 HydrophobicContact CE2-CD2 3.41Å; F101-F109 VanDerWaalsContact CE2-CD2 3.41Å; F101-F109 HydrophobicContact CE2-CE2 4.16Å; F101-F109 HydrophobicContact CE2-CG 4.12Å; F101-F109 HydrophobicContact CG-CB 4.32Å; F101-F109 HydrophobicContact CG-CD2 4.04Å; F101-F109 AromaticContact CZ-CD2 3.57Å; F101-F109 HydrophobicContact CZ-CD2 3.57Å; F101-F109 AromaticContact CZ-CE2 3.92Å; F101-F109 HydrophobicContact CZ-CE2 3.92Å; F101-V112 HydrophobicContact CB-CG2 3.92Å; F101-V112 HydrophobicContact CD1-CG2 4.1Å; F101-V112 HydrophobicContact CG-CG2 4.26Å; F101-L131 HydrophobicContact CD1-CD1 3.83Å; F101-L131 HydrophobicContact CD1-CG 4.26Å; F101-L131 HydrophobicContact CE1-CD1 3.97Å; F101-L131 HydrophobicContact CE1-CD2 4.09Å; F101-L131 HydrophobicContact CE1-CG 3.88Å; F101-V132 WeakPolarHBondContact CD1-O 3.41Å; F101-V132 PolarHBondContact N-O 3.4Å; F101-G133 CarbonylContact O-C 3.45Å; F101-G133 WeakPolarHBondContact O-CA 3.32Å; F101-T134 PolarHBondContact O-N 2.86Å; F101-T134 PolarHBondContact O-OG1 3.18Å; F101-I156 HydrophobicContact CE2-CB 4.05Å; F101-I156 HydrophobicContact CE2-CG1 4.14Å; F101-I156 HydrophobicContact CE2-CG2 3.82Å; F101-I156 HydrophobicContact CZ-CG2 4.23Å; F101-Y173 AromaticContact CE1-CE2 3.84Å; F101-Y173 HydrophobicContact CE1-CE2 3.84Å; F101-Y173 AromaticContact CZ-CE2 3.91Å; F101-Y173 HydrophobicContact CZ-CE2 3.91Å
102S98.8Very high94Very high4 Ų423.8 Ų23.83%0.02814%0.142CC..EExtended strand (participates in β ladder)trans-88.4129.9177.6165.50000110.4V104 S105 S108 T134S102-V104 PolarHBondContact O-N 3.17Å; S102-V104 WeakPolarHBondContact OG-CG2 3.5Å; S102-V104 PolarHBondContact OG-N 3.47Å; S102-S105 PolarHBondContact O-N 2.98Å; S102-S108 PolarHBondContact N-OG 3.22Å; S102-T134 WeakPolarHBondContact CA-OG1 3.45Å
103L98.9Very high96.3Very high0 Ų025.2 Ų25.20%014%0.138CC..THydrogen-bonded Turntrans-60.5-20.4178.2-68.2173.9000113F101 T134 L136 P155 I156 E175F101-L103 HydrophobicContact CE2-CD2 3.67Å; F101-L103 HydrophobicContact CZ-CD2 3.94Å; L103-T134 WeakPolarHBondContact CB-O 3.37Å; L103-T134 VanDerWaalsContact CG-O 3.28Å; L103-T134 WeakPolarHBondContact CG-O 3.29Å; L103-T134 PolarHBondContact N-O 2.97Å; L103-L136 HydrophobicContact CD1-CB 3.93Å; L103-L136 HydrophobicContact CD1-CD1 3.73Å; L103-L136 HydrophobicContact CD1-CG 4.46Å; L103-P155 CarbonylContact O-C 3.59Å; L103-P155 WeakPolarHBondContact O-CA 3.12Å; L103-I156 HydrophobicContact CD2-CB 4.22Å; L103-I156 HydrophobicContact CD2-CG2 4.48Å; L103-I156 PolarHBondContact O-N 2.95Å; L103-E175 HydrophobicContact CD1-CB 4.3Å; L103-E175 HydrophobicContact CD1-CG 4.21Å; L103-E175 HydrophobicContact CD2-CG 4.44Å
104V98.6Very high97.4Very high21 Ų2125.9 Ų25.913%0.12715%0.152CC..THydrogen-bonded Turntrans-107.719177.4-60.90000113.2S102 K135 L138 T144 L148 P155S102-V104 PolarHBondContact O-N 3.17Å; S102-V104 WeakPolarHBondContact OG-CG2 3.5Å; S102-V104 PolarHBondContact OG-N 3.47Å; V104-K135 HydrophobicContact CG2-CD 4.42Å; V104-L138 HydrophobicContact CB-CB 4.45Å; V104-L138 HydrophobicContact CG1-CB 3.69Å; V104-L138 WeakPolarHBondContact CG1-O 3.48Å; V104-L138 HydrophobicContact CG2-CB 3.99Å; V104-L138 HydrophobicContact CG2-CD1 3.88Å; V104-T144 HydrophobicContact CB-CG2 3.67Å; V104-T144 HydrophobicContact CG1-CG2 3.6Å; V104-T144 HydrophobicContact CG2-CG2 4.12Å; V104-L148 HydrophobicContact CB-CD1 4.1Å; V104-L148 HydrophobicContact CG1-CD1 4.44Å; V104-P155 HydrophobicContact CG1-CB 4.37Å
105S98.5Very high98.2Very high43 Ų4327.6 Ų27.630%0.30116%0.159SC..  trans-133.490.5172.21790000110.4S102 A107 S108 F109S102-S105 PolarHBondContact O-N 2.98Å; S105-A107 PolarHBondContact O-N 2.97Å; S105-S108 WeakPolarHBondContact CB-OG 3.24Å; S105-S108 PolarHBondContact O-N 2.86Å; S105-S108 PolarHBondContact O-OG 2.89Å; S105-F109 PolarHBondContact O-N 3.04Å
106P98.4Very high98.5Very high23 Ų2324.9 Ų24.915%0.14915%0.145CC..Hα-helixtrans-57.1-32.4178.6-29.137.9000114.3S108 F109 E110 L153 T154 I156P106-S108 VanDerWaalsContact C-N 3.35Å; P106-S108 PolarHBondContact O-N 3.27Å; P106-F109 WeakPolarHBondContact O-CB 3.3Å; P106-F109 PolarHBondContact O-N 3.48Å; P106-E110 PolarHBondContact O-N 2.87Å; P106-L153 HydrophobicContact CB-CD2 4.41Å; P106-L153 HydrophobicContact CG-CB 4.25Å; P106-L153 HydrophobicContact CG-CD1 4.31Å; P106-L153 HydrophobicContact CG-CD2 4.29Å; P106-T154 WeakPolarHBondContact CG-O 2.83Å; P106-I156 HydrophobicContact CB-CD1 4.16Å; P106-I156 HydrophobicContact CG-CD1 4.26Å
107A98.4Very high98.6Very high62 Ų6228.3 Ų28.351%0.51216%0.158SC..Hα-helixtrans-60.6-43.5173.700000112S105 F109 E110 N111S105-A107 PolarHBondContact O-N 2.97Å; A107-F109 PolarHBondContact O-N 2.84Å; A107-E110 PolarHBondContact O-N 2.94Å; A107-N111 VanDerWaalsContact O-CG 3.32Å; A107-N111 PolarHBondContact O-N 3.03Å; A107-N111 PolarHBondContact O-ND2 2.97Å
108S98.8Very high98.6Very high1 Ų131.1 Ų31.11%0.00718%0.176CC..Hα-helixtrans-65.4-28177.373.50000113.2D11 F101 S102 S105 P106D11-S108 VanDerWaalsContact OD2-CA 3.24Å; D11-S108 WeakPolarHBondContact OD2-CA 3.39Å; D11-S108 WeakPolarHBondContact OD2-CB 3.46Å; F101-S108 WeakPolarHBondContact CB-O 3.19Å; S102-S108 PolarHBondContact N-OG 3.22Å; S105-S108 WeakPolarHBondContact CB-OG 3.24Å; S105-S108 PolarHBondContact O-N 2.86Å; S105-S108 PolarHBondContact O-OG 2.89Å; P106-S108 VanDerWaalsContact C-N 3.35Å; P106-S108 PolarHBondContact O-N 3.27Å
109F98.8Very high98.4Very high14 Ų1432.5 Ų32.56%0.06118%0.183CC..Hα-helixtrans-71.4-42.6174.5177.7-112.2000111.6F101 S105 P106 A107 N111 V112 I156 Q160 M164F101-F109 HydrophobicContact CD1-CD2 4.19Å; F101-F109 HydrophobicContact CD2-CB 3.74Å; F101-F109 AromaticContact CD2-CD2 3.67Å; F101-F109 HydrophobicContact CD2-CD2 3.67Å; F101-F109 HydrophobicContact CD2-CG 4.15Å; F101-F109 AromaticContact CE1-CD2 3.97Å; F101-F109 HydrophobicContact CE1-CD2 3.97Å; F101-F109 HydrophobicContact CE1-CE2 4.32Å; F101-F109 HydrophobicContact CE2-CB 4.15Å; F101-F109 AromaticContact CE2-CD2 3.41Å; F101-F109 HydrophobicContact CE2-CD2 3.41Å; F101-F109 VanDerWaalsContact CE2-CD2 3.41Å; F101-F109 HydrophobicContact CE2-CE2 4.16Å; F101-F109 HydrophobicContact CE2-CG 4.12Å; F101-F109 HydrophobicContact CG-CB 4.32Å; F101-F109 HydrophobicContact CG-CD2 4.04Å; F101-F109 AromaticContact CZ-CD2 3.57Å; F101-F109 HydrophobicContact CZ-CD2 3.57Å; F101-F109 AromaticContact CZ-CE2 3.92Å; F101-F109 HydrophobicContact CZ-CE2 3.92Å; S105-F109 PolarHBondContact O-N 3.04Å; P106-F109 WeakPolarHBondContact O-CB 3.3Å; P106-F109 PolarHBondContact O-N 3.48Å; A107-F109 PolarHBondContact O-N 2.84Å; F109-N111 VanDerWaalsContact C-N 3.33Å; F109-N111 PolarHBondContact O-N 3.39Å; F109-V112 VanDerWaalsContact O-CB 3.24Å; F109-V112 WeakPolarHBondContact O-CB 3.34Å; F109-V112 WeakPolarHBondContact O-CG2 3.25Å; F109-V112 PolarHBondContact O-N 3Å; F109-I156 HydrophobicContact CB-CD1 4.01Å; F109-I156 HydrophobicContact CB-CG1 3.93Å; F109-I156 HydrophobicContact CD1-CD1 3.74Å; F109-I156 HydrophobicContact CD1-CG1 4.33Å; F109-I156 HydrophobicContact CD2-CG2 4.13Å; F109-I156 HydrophobicContact CE1-CD1 4.4Å; F109-I156 HydrophobicContact CE2-CG2 4.14Å; F109-I156 HydrophobicContact CG-CD1 3.93Å; F109-I156 HydrophobicContact CG-CG1 4.02Å; F109-I156 HydrophobicContact CG-CG2 4.3Å; F109-I156 HydrophobicContact CZ-CG2 4.32Å; F109-Q160 HydrophobicContact CE1-CB 4.46Å; F109-Q160 HydrophobicContact CZ-CB 4.19Å; F109-Q160 WeakPolarHBondContact CZ-O 3.21Å; F109-M164 HydrophobicContact CD1-CE 4.28Å; F109-M164 HydrophobicContact CD2-CE 4.38Å; F109-M164 HydrophobicContact CD2-CG 4.5Å; F109-M164 HydrophobicContact CE1-CE 3.87Å; F109-M164 HydrophobicContact CE2-CB 3.47Å; F109-M164 VanDerWaalsContact CE2-CB 3.47Å; F109-M164 HydrophobicContact CE2-CE 3.98Å; F109-M164 HydrophobicContact CE2-CG 3.78Å; F109-M164 HydrophobicContact CZ-CB 3.55Å; F109-M164 HydrophobicContact CZ-CE 3.73Å; F109-M164 HydrophobicContact CZ-CG 4.15Å
110E98.6Very high98.2Very high78 Ų7832.5 Ų32.536%0.36418%0.183SC..Hα-helixtrans-64.2-38174.7-68.7-58.1147.300112.5P106 A107 V112 R113 A114P106-E110 PolarHBondContact O-N 2.87Å; A107-E110 PolarHBondContact O-N 2.94Å; E110-V112 PolarHBondContact O-N 2.8Å; E110-V112 VanDerWaalsContact O-N 3.14Å; E110-R113 VanDerWaalsContact O-CG 3.23Å; E110-R113 WeakPolarHBondContact O-CG 3.42Å; E110-R113 PolarHBondContact O-N 2.94Å; E110-R113 IonicContact OE1-NH2 2.91Å; E110-R113 PolarHBondContact OE1-NH2 3.01Å; E110-R113 IonicContact OE2-CZ 3.67Å; E110-R113 IonicContact OE2-NE 3.66Å; E110-R113 PolarHBondContact OE2-NE 2.91Å; E110-R113 IonicContact OE2-NH2 3.14Å; E110-R113 PolarHBondContact OE2-NH2 2.95Å; E110-A114 PolarHBondContact O-N 3.43Å
111N98.8Very high97.9Very high57 Ų5735.2 Ų35.231%0.30519%0.193SC..Hα-helixtrans-63.9-18177.5-72.2-20.5000113.5D11 A107 F109 K115 W116D11-N111 WeakPolarHBondContact OD1-CB 3.43Å; D11-N111 PolarHBondContact OD1-ND2 3.18Å; D11-N111 PolarHBondContact OD2-ND2 2.96Å; A107-N111 VanDerWaalsContact O-CG 3.32Å; A107-N111 PolarHBondContact O-N 3.03Å; A107-N111 PolarHBondContact O-ND2 2.97Å; F109-N111 VanDerWaalsContact C-N 3.33Å; F109-N111 PolarHBondContact O-N 3.39Å; N111-K115 WeakPolarHBondContact O-CA 3.48Å; N111-K115 WeakPolarHBondContact O-CB 3.37Å; N111-K115 PolarHBondContact O-N 2.64Å; N111-W116 VanDerWaalsContact O-CD1 3.28Å; N111-W116 PolarHBondContact O-N 3.47Å; N111-W116 VanDerWaalsContact O-N 3.08Å
112V98.8Very high97.6Very high0 Ų042.3 Ų42.30%023%0.226CC..Iπ-helixtrans-55.6-53.31721730000110.6I99 F101 F109 E110 W116 Y117 L131 M164 I168I99-V112 HydrophobicContact CG2-CG1 4.08Å; I99-V112 HydrophobicContact CG2-CG2 4.17Å; F101-V112 HydrophobicContact CB-CG2 3.92Å; F101-V112 HydrophobicContact CD1-CG2 4.1Å; F101-V112 HydrophobicContact CG-CG2 4.26Å; F109-V112 VanDerWaalsContact O-CB 3.24Å; F109-V112 WeakPolarHBondContact O-CB 3.34Å; F109-V112 WeakPolarHBondContact O-CG2 3.25Å; F109-V112 PolarHBondContact O-N 3Å; E110-V112 PolarHBondContact O-N 2.8Å; E110-V112 VanDerWaalsContact O-N 3.14Å; V112-W116 PolarHBondContact O-N 3.48Å; V112-Y117 WeakPolarHBondContact O-CB 3.25Å; V112-Y117 PolarHBondContact O-N 2.69Å; V112-L131 HydrophobicContact CG1-CD1 3.71Å; V112-L131 HydrophobicContact CG2-CD1 4.03Å; V112-M164 HydrophobicContact CB-CG 4.31Å; V112-M164 HydrophobicContact CB-SD 4.18Å; V112-M164 HydrophobicContact CG1-CG 3.82Å; V112-M164 HydrophobicContact CG1-SD 3.92Å; V112-I168 HydrophobicContact CG1-CD1 3.86Å; V112-I168 HydrophobicContact CG1-CG2 4.31Å
113R98.4Very high97.1Very high107 Ų10745.4 Ų45.440%0.40424%0.24SC..Iπ-helixtrans-80.9-31.6-179.659.6177.5175.3-172.52.2113.1E110 P118 M164 E167E110-R113 VanDerWaalsContact O-CG 3.23Å; E110-R113 WeakPolarHBondContact O-CG 3.42Å; E110-R113 PolarHBondContact O-N 2.94Å; E110-R113 IonicContact OE1-NH2 2.91Å; E110-R113 PolarHBondContact OE1-NH2 3.01Å; E110-R113 IonicContact OE2-CZ 3.67Å; E110-R113 IonicContact OE2-NE 3.66Å; E110-R113 PolarHBondContact OE2-NE 2.91Å; E110-R113 IonicContact OE2-NH2 3.14Å; E110-R113 PolarHBondContact OE2-NH2 2.95Å; R113-P118 VanDerWaalsContact O-CD 3.3Å; R113-P118 WeakPolarHBondContact O-CD 3.07Å; R113-P118 WeakPolarHBondContact O-CG 3.15Å; R113-M164 HydrophobicContact CB-CE 4.32Å; R113-M164 HydrophobicContact CB-SD 3.89Å; R113-M164 HydrophobicContact CG-CE 3.99Å; R113-M164 HydrophobicContact CG-SD 4.24Å; R113-E167 WeakPolarHBondContact CD-OE1 3.2Å; R113-E167 IonicContact NH1-OE1 3.24Å; R113-E167 IonicContact NH1-OE2 3.99Å
114A98.1Very high96.7Very high75 Ų7545.6 Ų45.662%0.6224%0.241SC*.Iπ-helixtrans-77.8-31.1-176.200000113.2E110E110-A114 PolarHBondContact O-N 3.43Å
115K98Very high96.3Very high37 Ų3748 Ų4816%0.16126%0.257CS..Iπ-helixtrans-130.9-62.2-172.1177.6174.7178.91610113.5D65 N111 Y117 P118 E119D65-K115 VanDerWaalsContact CG-NZ 3.28Å; D65-K115 WeakPolarHBondContact OD1-CE 3.3Å; D65-K115 IonicContact OD1-NZ 2.8Å; D65-K115 PolarHBondContact OD1-NZ 3.39Å; D65-K115 IonicContact OD2-NZ 3.6Å; D65-K115 PolarHBondContact OD2-NZ 2.86Å; N111-K115 WeakPolarHBondContact O-CA 3.48Å; N111-K115 WeakPolarHBondContact O-CB 3.37Å; N111-K115 PolarHBondContact O-N 2.64Å; K115-Y117 PolarHBondContact O-N 2.9Å; K115-P118 VanDerWaalsContact O-CD 3.31Å; K115-P118 WeakPolarHBondContact O-CD 3.48Å; K115-E119 WeakPolarHBondContact O-CB 3.5Å; K115-E119 PolarHBondContact O-N 3.24Å
116W98.4Very high95.7Very high0 Ų053.1 Ų53.10%028%0.281CS..Iπ-helixtrans-67.9-43.3-164.9-62.6111.6000113.5V9 G10 D11 R68 I99 N111 V112 V120V9-W116 HydrophobicContact CB-CE3 3.86Å; V9-W116 HydrophobicContact CB-CZ3 4.15Å; V9-W116 HydrophobicContact CG2-CE3 4.15Å; G10-W116 WeakPolarHBondContact O-CH2 3.48Å; G10-W116 WeakPolarHBondContact O-CZ2 3.13Å; D11-W116 PolarHBondContact OD1-NE1 3.08Å; R68-W116 VanDerWaalsContact CZ-CH2 3.49Å; R68-W116 VanDerWaalsContact CZ-CZ3 3.46Å; I99-W116 HydrophobicContact CD1-CB 4.38Å; I99-W116 HydrophobicContact CG2-CB 3.72Å; I99-W116 HydrophobicContact CG2-CG 4.35Å; N111-W116 VanDerWaalsContact O-CD1 3.28Å; N111-W116 PolarHBondContact O-N 3.47Å; N111-W116 VanDerWaalsContact O-N 3.08Å; V112-W116 PolarHBondContact O-N 3.48Å; W116-V120 WeakPolarHBondContact O-CB 3.48Å; W116-V120 VanDerWaalsContact O-CG2 3.31Å; W116-V120 WeakPolarHBondContact O-CG2 3.32Å; W116-V120 PolarHBondContact O-N 3.49Å
117Y98.4Very high95.4Very high72 Ų7252.8 Ų52.828%0.28228%0.279SS..Hα-helixtrans-64.7-51176.8166.1-107.3000112.2V112 K115 E119 V120 R121 I129 I168V112-Y117 WeakPolarHBondContact O-CB 3.25Å; V112-Y117 PolarHBondContact O-N 2.69Å; K115-Y117 PolarHBondContact O-N 2.9Å; Y117-E119 VanDerWaalsContact C-N 3.33Å; Y117-E119 PolarHBondContact O-N 3.42Å; Y117-V120 PolarHBondContact O-N 2.78Å; Y117-R121 HydrophobicContact CD2-CG 3.7Å; Y117-R121 HydrophobicContact CE1-CG 4.46Å; Y117-R121 HydrophobicContact CE2-CG 3.27Å; Y117-R121 HydrophobicContact CG-CG 4.49Å; Y117-R121 WeakPolarHBondContact O-CB 3.26Å; Y117-R121 WeakPolarHBondContact O-CG 3.27Å; Y117-R121 PolarHBondContact O-N 2.99Å; Y117-I129 HydrophobicContact CD2-CD1 4.06Å; Y117-I129 HydrophobicContact CE2-CD1 4.4Å; Y117-I168 HydrophobicContact CD1-CB 4.28Å; Y117-I168 HydrophobicContact CD1-CG2 4.1Å; Y117-I168 HydrophobicContact CD2-CB 3.58Å; Y117-I168 HydrophobicContact CD2-CG1 4.48Å; Y117-I168 HydrophobicContact CD2-CG2 4.17Å; Y117-I168 HydrophobicContact CE2-CB 3.88Å; Y117-I168 WeakPolarHBondContact CE2-O 3.08Å; Y117-I168 HydrophobicContact CG-CB 3.76Å; Y117-I168 HydrophobicContact CG-CG2 3.8Å
118P97.9Very high95.2Very high59 Ų5951.1 Ų51.138%0.38326%0.263SS..Hα-helixtrans-54.3-44.6173.6-28.334.7000113.7R113 K115 R121 H122R113-P118 VanDerWaalsContact O-CD 3.3Å; R113-P118 WeakPolarHBondContact O-CD 3.07Å; R113-P118 WeakPolarHBondContact O-CG 3.15Å; K115-P118 VanDerWaalsContact O-CD 3.31Å; K115-P118 WeakPolarHBondContact O-CD 3.48Å; P118-R121 PolarHBondContact O-N 3.31Å; P118-H122 VanDerWaalsContact O-CB 3.3Å; P118-H122 WeakPolarHBondContact O-CB 3.22Å; P118-H122 PolarHBondContact O-N 2.88Å
119E95.8Very high95.2Very high30 Ų3051 Ų5114%0.1426%0.262CS..Hα-helixtrans-62.7-50.8-180-174.7177.1122.400111.7R68 Y72 K115 Y117 R121 H122 H123R68-E119 WeakPolarHBondContact CD-OE1 3.44Å; R68-E119 IonicContact CZ-OE1 2.95Å; R68-E119 IonicContact NE-OE1 3.23Å; R68-E119 VanDerWaalsContact NH1-CD 3.32Å; R68-E119 IonicContact NH1-OE1 2.77Å; R68-E119 PolarHBondContact NH1-OE1 2.64Å; R68-E119 IonicContact NH1-OE2 3.95Å; R68-E119 PolarHBondContact NH1-OE2 3Å; Y72-E119 HydrophobicContact CE2-CG 4.3Å; Y72-E119 PolarHBondContact OH-OE1 3.29Å; K115-E119 WeakPolarHBondContact O-CB 3.5Å; K115-E119 PolarHBondContact O-N 3.24Å; Y117-E119 VanDerWaalsContact C-N 3.33Å; Y117-E119 PolarHBondContact O-N 3.42Å; E119-R121 VanDerWaalsContact C-N 3.34Å; E119-R121 PolarHBondContact O-N 3.28Å; E119-H122 PolarHBondContact O-N 3.2Å; E119-H123 PolarHBondContact O-CD2 3.41Å; E119-H123 PolarHBondContact O-N 2.9Å
120V94.8Very high95.2Very high0 Ų050.4 Ų50.40%026%0.26CS..Hα-helixtrans-60.5-44177.71700000110.8V9 F97 I99 W116 Y117 H122 H123 C124 I129V9-V120 HydrophobicContact CG2-CG2 3.89Å; F97-V120 HydrophobicContact CB-CG1 4.17Å; F97-V120 HydrophobicContact CD1-CG1 3.98Å; F97-V120 HydrophobicContact CD1-CG2 3.8Å; F97-V120 HydrophobicContact CD2-CG1 3.59Å; F97-V120 HydrophobicContact CE1-CG1 4.24Å; F97-V120 HydrophobicContact CE1-CG2 4.06Å; F97-V120 HydrophobicContact CE2-CG1 3.89Å; F97-V120 HydrophobicContact CG-CG1 3.64Å; F97-V120 HydrophobicContact CG-CG2 4.22Å; F97-V120 HydrophobicContact CZ-CG1 4.21Å; I99-V120 HydrophobicContact CD1-CG2 4.26Å; I99-V120 HydrophobicContact CG1-CG2 4.42Å; W116-V120 WeakPolarHBondContact O-CB 3.48Å; W116-V120 VanDerWaalsContact O-CG2 3.31Å; W116-V120 WeakPolarHBondContact O-CG2 3.32Å; W116-V120 PolarHBondContact O-N 3.49Å; Y117-V120 PolarHBondContact O-N 2.78Å; V120-H122 PolarHBondContact O-N 3.22Å; V120-H123 PolarHBondContact O-N 3.21Å; V120-C124 CarbonylContact O-C 3.58Å; V120-C124 WeakPolarHBondContact O-CA 3.41Å; V120-C124 WeakPolarHBondContact O-CB 3.37Å; V120-C124 PolarHBondContact O-N 3.44Å; V120-I129 HydrophobicContact CG1-CD1 3.84Å; V120-I129 HydrophobicContact CG1-CG1 4.14Å
121R92.8Very high95.2Very high56 Ų5646.7 Ų46.721%0.21124%0.242CC..Hα-helixtrans-69.9-31.1-179.8-73.2-60.4-172.3-154.9-12.4113.4Y117 P118 E119 P125 T127Y117-R121 HydrophobicContact CD2-CG 3.7Å; Y117-R121 HydrophobicContact CE1-CG 4.46Å; Y117-R121 HydrophobicContact CE2-CG 3.27Å; Y117-R121 HydrophobicContact CG-CG 4.49Å; Y117-R121 WeakPolarHBondContact O-CB 3.26Å; Y117-R121 WeakPolarHBondContact O-CG 3.27Å; Y117-R121 PolarHBondContact O-N 2.99Å; P118-R121 PolarHBondContact O-N 3.31Å; E119-R121 VanDerWaalsContact C-N 3.34Å; E119-R121 PolarHBondContact O-N 3.28Å; R121-P125 PolarHBondContact NH1-O 3.2Å; R121-P125 WeakPolarHBondContact O-CA 3.36Å; R121-T127 PolarHBondContact NH1-O 3.14Å
122H91.6Very high95.2Very high150 Ų15044 Ų4469%0.69423%0.228SC*.Hα-helixtrans-62.5-45.7174.8178.472.8000111.2P118 E119 V120P118-H122 VanDerWaalsContact O-CB 3.3Å; P118-H122 WeakPolarHBondContact O-CB 3.22Å; P118-H122 PolarHBondContact O-N 2.88Å; E119-H122 PolarHBondContact O-N 3.2Å; V120-H122 PolarHBondContact O-N 3.22Å
123H89.3Confident95.2Very high69 Ų6944 Ų4432%0.31923%0.228SC..Hα-helixtrans-87.6-28-177.7-69.3-68.7000114.3Y72 E119 V120Y72-H123 HydrophobicContact CD2-CB 3.75Å; Y72-H123 AromaticContact CD2-CD2 3.91Å; Y72-H123 AromaticContact CD2-CG 3.93Å; E119-H123 PolarHBondContact O-CD2 3.41Å; E119-H123 PolarHBondContact O-N 2.9Å; V120-H123 PolarHBondContact O-N 3.21Å
124C89.9Confident95.2Very high4 Ų439.1 Ų39.13%0.02721%0.21CC..  trans-14170.8-171.6-70.20000110.8Y72 F97 V120 N126 T127Y72-C124 PolarHBondContact O-SG 3Å; F97-C124 HydrophobicContact CD2-CB 4.48Å; F97-C124 HydrophobicContact CE2-CB 3.49Å; F97-C124 VanDerWaalsContact CE2-CB 3.49Å; F97-C124 HydrophobicContact CZ-CB 3.99Å; V120-C124 CarbonylContact O-C 3.58Å; V120-C124 WeakPolarHBondContact O-CA 3.41Å; V120-C124 WeakPolarHBondContact O-CB 3.37Å; V120-C124 PolarHBondContact O-N 3.44Å; C124-N126 VanDerWaalsContact C-N 3.29Å; C124-N126 PolarHBondContact O-N 2.9Å; C124-T127 PolarHBondContact O-N 3Å
125P89.3Confident95.3Very high70 Ų7038.6 Ų38.646%0.45519%0.194SC..THydrogen-bonded Turntrans-62.8-32.7-168.222.3-33.9000113.9R121R121-P125 PolarHBondContact NH1-O 3.2Å; R121-P125 WeakPolarHBondContact O-CA 3.36Å
126N86.7Confident95.3Very high152 Ų15237.6 Ų37.681%0.81319%0.19SC*.THydrogen-bonded Turntrans-104-2.9-173.1-59.3-48.2000114C124C124-N126 VanDerWaalsContact C-N 3.29Å; C124-N126 PolarHBondContact O-N 2.9Å
127T91.6Very high95.3Very high15 Ų1540 Ų409%0.09220%0.202CC..SBendtrans-73.6136.6-176.8-56.40000110.2A94 D95 F97 R121 C124A94-T127 WeakPolarHBondContact O-CG2 3.31Å; A94-T127 PolarHBondContact O-OG1 3.32Å; D95-T127 WeakPolarHBondContact O-CG2 3.46Å; F97-T127 HydrophobicContact CD2-CG2 3.51Å; F97-T127 HydrophobicContact CE2-CG2 3.76Å; R121-T127 PolarHBondContact NH1-O 3.14Å; C124-T127 PolarHBondContact O-N 3Å
128P95.5Very high95.3Very high27 Ų2738.8 Ų38.818%0.17520%0.201CC..  trans-63.3145.517525.3-34.4000111.5D95 V96 F97 V171 A194D95-P128 VanDerWaalsContact O-CD 3.25Å; D95-P128 WeakPolarHBondContact O-CD 3.37Å; D95-P128 WeakPolarHBondContact O-CG 3.42Å; V96-P128 HydrophobicContact CB-CG 4.23Å; V96-P128 HydrophobicContact CG2-CG 4.26Å; F97-P128 PolarHBondContact N-O 3.42Å; P128-V171 HydrophobicContact CB-CG1 4.05Å; P128-V171 HydrophobicContact CB-CG2 4.49Å; P128-A194 HydrophobicContact CB-CB 4.1Å; P128-A194 HydrophobicContact CG-CB 4.35Å
129I97.9Very high95.3Very high0 Ų037.7 Ų37.70%019%0.189CC..EExtended strand (participates in β ladder)trans-121.9131.5179.6-63.2175.3000108.4F97 I99 Y117 V120 I168 A170 V171F97-I129 HydrophobicContact CB-CG1 4.31Å; F97-I129 WeakPolarHBondContact O-CA 3.45Å; I99-I129 HydrophobicContact CB-CG2 4.42Å; I99-I129 HydrophobicContact CD1-CD1 4.16Å; I99-I129 HydrophobicContact CD1-CG2 3.71Å; I99-I129 HydrophobicContact CG1-CG2 3.86Å; Y117-I129 HydrophobicContact CD2-CD1 4.06Å; Y117-I129 HydrophobicContact CE2-CD1 4.4Å; V120-I129 HydrophobicContact CG1-CD1 3.84Å; V120-I129 HydrophobicContact CG1-CG1 4.14Å; I129-I168 HydrophobicContact CG2-CD1 4.36Å; I129-A170 HydrophobicContact CG2-CB 4.23Å; I129-A170 CarbonylContact O-C 3.43Å; I129-A170 VanDerWaalsContact O-CA 3.29Å; I129-A170 WeakPolarHBondContact O-CA 3.4Å; I129-A170 WeakPolarHBondContact O-CB 3.36Å; I129-V171 PolarHBondContact O-N 3.15Å
130I98.6Very high95.3Very high1 Ų142.2 Ų42.21%0.00521%0.214CC..EExtended strand (participates in β ladder)trans-104.6126.4164.6-52.1-69.4000107.4V96 F97 L98 I99 V132 V171 K172 L174 A191 A194V96-I130 HydrophobicContact CG2-CG1 4.16Å; F97-I130 PolarHBondContact O-N 2.91Å; L98-I130 WeakPolarHBondContact CA-O 3.21Å; L98-I130 HydrophobicContact CD2-CB 3.62Å; L98-I130 HydrophobicContact CD2-CG1 3.94Å; L98-I130 HydrophobicContact CD2-CG2 4.15Å; I99-I130 PolarHBondContact N-O 3.15Å; I130-V132 HydrophobicContact CG2-CG2 3.87Å; I130-V171 HydrophobicContact CD1-CG2 3.31Å; I130-V171 HydrophobicContact CG1-CG2 4.42Å; I130-K172 HydrophobicContact CD1-CB 3.7Å; I130-K172 HydrophobicContact CG2-CB 4.39Å; I130-L174 HydrophobicContact CG2-CD1 3.99Å; I130-L174 HydrophobicContact CG2-CG 4.49Å; I130-A191 HydrophobicContact CG1-CB 4.21Å; I130-A194 HydrophobicContact CD1-CB 4.39Å
131L98.9Very high95.4Very high0 Ų044.9 Ų44.90%023%0.228CC..EExtended strand (participates in β ladder)trans-87.4127.2170.7-17765.9000108.9I99 F101 V112 G161 M164 A165 I168 A170 K172 Y173 L174I99-L131 HydrophobicContact CB-CD1 4.36Å; I99-L131 HydrophobicContact CG2-CD1 4.24Å; F101-L131 HydrophobicContact CD1-CD1 3.83Å; F101-L131 HydrophobicContact CD1-CG 4.26Å; F101-L131 HydrophobicContact CE1-CD1 3.97Å; F101-L131 HydrophobicContact CE1-CD2 4.09Å; F101-L131 HydrophobicContact CE1-CG 3.88Å; V112-L131 HydrophobicContact CG1-CD1 3.71Å; V112-L131 HydrophobicContact CG2-CD1 4.03Å; L131-G161 WeakPolarHBondContact CD2-O 3.42Å; L131-M164 HydrophobicContact CD2-CB 3.86Å; L131-M164 HydrophobicContact CD2-CG 3.67Å; L131-A165 HydrophobicContact CB-CB 4.18Å; L131-A165 HydrophobicContact CD2-CB 3.87Å; L131-I168 HydrophobicContact CB-CD1 4.37Å; L131-I168 HydrophobicContact CD1-CD1 4.18Å; L131-A170 HydrophobicContact CB-CB 4.15Å; L131-K172 PolarHBondContact N-O 3.34Å; L131-Y173 HydrophobicContact CB-CD2 4.12Å; L131-Y173 HydrophobicContact CD2-CD2 3.92Å; L131-Y173 HydrophobicContact CD2-CE2 4.33Å; L131-Y173 HydrophobicContact CG-CD2 3.92Å; L131-Y173 HydrophobicContact CG-CE2 4.34Å; L131-Y173 WeakPolarHBondContact O-CA 3.48Å; L131-Y173 WeakPolarHBondContact O-CD2 3.44Å; L131-L174 PolarHBondContact O-N 2.96Å
132V98.9Very high95.7Very high0 Ų049.8 Ų49.80%025%0.251CS..EExtended strand (participates in β ladder)trans-122.8115.6-174.9-173.60000110.8L98 I99 C100 F101 I130 T134 L174 V187L98-V132 HydrophobicContact CB-CG2 4.27Å; L98-V132 HydrophobicContact CD2-CG2 4.22Å; I99-V132 PolarHBondContact O-N 2.56Å; C100-V132 WeakPolarHBondContact CA-O 3.17Å; F101-V132 WeakPolarHBondContact CD1-O 3.41Å; F101-V132 PolarHBondContact N-O 3.4Å; I130-V132 HydrophobicContact CG2-CG2 3.87Å; V132-T134 HydrophobicContact CG1-CG2 4.16Å; V132-L174 CarbonylContact C-O 3.41Å; V132-L174 WeakPolarHBondContact CA-O 3.39Å; V132-V187 HydrophobicContact CG1-CG1 4.37Å; V132-V187 HydrophobicContact CG1-CG2 4.07Å; V132-V187 HydrophobicContact CG2-CG1 3.85Å
133G98.9Very high96Very high0 Ų047.2 Ų47.20%024%0.243CC..EExtended strand (participates in β ladder)trans-84.2113.2166.800000110.6F101 L174 E175 C176F101-G133 CarbonylContact O-C 3.45Å; F101-G133 WeakPolarHBondContact O-CA 3.32Å; G133-L174 PolarHBondContact N-O 3.29Å; G133-E175 CarbonylContact O-C 3.52Å; G133-E175 VanDerWaalsContact O-CA 3.25Å; G133-E175 WeakPolarHBondContact O-CA 3.48Å; G133-C176 PolarHBondContact O-N 3.02Å
134T98.8Very high96.3Very high4 Ų445 Ų453%0.02523%0.234CC..EExtended strand (participates in β ladder)trans-96.1169.5-17865.10000111.8V14 C100 F101 S102 L103 V132 L136 C176V14-T134 WeakPolarHBondContact O-CB 3.13Å; V14-T134 PolarHBondContact O-OG1 2.95Å; C100-T134 HydrophobicContact CB-CG2 4.13Å; F101-T134 PolarHBondContact O-N 2.86Å; F101-T134 PolarHBondContact O-OG1 3.18Å; S102-T134 WeakPolarHBondContact CA-OG1 3.45Å; L103-T134 WeakPolarHBondContact CB-O 3.37Å; L103-T134 VanDerWaalsContact CG-O 3.28Å; L103-T134 WeakPolarHBondContact CG-O 3.29Å; L103-T134 PolarHBondContact N-O 2.97Å; V132-T134 HydrophobicContact CG1-CG2 4.16Å; T134-L136 VanDerWaalsContact C-N 3.34Å; T134-L136 PolarHBondContact O-N 2.57Å; T134-C176 CarbonylContact C-O 3.57Å; T134-C176 WeakPolarHBondContact CA-O 3.13Å
135K98.4Very high96.7Very high65 Ų6548 Ų4828%0.28325%0.249SC..  trans59.741.5179.4-46.4-168.6-170.5-1760112.9A13 V104 D137 L138 C176A13-K135 VanDerWaalsContact O-CE 3.27Å; A13-K135 WeakPolarHBondContact O-CE 3.31Å; A13-K135 PolarHBondContact O-NZ 2.9Å; V104-K135 HydrophobicContact CG2-CD 4.42Å; K135-D137 PolarHBondContact O-N 3.39Å; K135-L138 HydrophobicContact CB-CB 4.43Å; K135-L138 HydrophobicContact CB-CD1 4Å; K135-L138 HydrophobicContact CB-CG 4.21Å; K135-L138 HydrophobicContact CD-CD1 3.86Å; K135-L138 PolarHBondContact O-N 2.91Å; K135-C176 PolarHBondContact N-O 3.31Å; K135-C176 VanDerWaalsContact N-O 3.15Å
136L98.8Very high97.1Very high16 Ų1650.3 Ų50.38%0.08425%0.254CS..G310 helixtrans-55.8-32.7178.2178.461.7000113.1L103 T134 L138 R139 E175 C176 R182L103-L136 HydrophobicContact CD1-CB 3.93Å; L103-L136 HydrophobicContact CD1-CD1 3.73Å; L103-L136 HydrophobicContact CD1-CG 4.46Å; T134-L136 VanDerWaalsContact C-N 3.34Å; T134-L136 PolarHBondContact O-N 2.57Å; L136-L138 PolarHBondContact O-N 2.83Å; L136-R139 WeakPolarHBondContact O-CB 3.41Å; L136-R139 PolarHBondContact O-N 3.31Å; L136-E175 HydrophobicContact CD1-CB 4.35Å; L136-E175 HydrophobicContact CD2-CB 4.28Å; L136-C176 WeakPolarHBondContact CB-O 3.11Å; L136-C176 PolarHBondContact N-O 3.2Å; L136-R182 HydrophobicContact CD2-CG 4.18Å
137D98.3Very high97.6Very high49 Ų4949 Ų4926%0.26224%0.241SC..G310 helixtrans-57.5-30.117450.6-71.4000113.4K135 S177 T180K135-D137 PolarHBondContact O-N 3.39Å; D137-S177 VanDerWaalsContact CG-OG 3.25Å; D137-S177 WeakPolarHBondContact OD1-CB 3.24Å; D137-S177 PolarHBondContact OD1-OG 3.41Å; D137-T180 HydrophobicContact CB-CG2 4.01Å
138L98.3Very high97.9Very high47 Ų4748.9 Ų48.925%0.24624%0.24CC..G310 helixtrans-86.5-8.6-178.4-58.6-176.7000113.9V104 K135 L136 D140 D141 T144V104-L138 HydrophobicContact CB-CB 4.45Å; V104-L138 HydrophobicContact CG1-CB 3.69Å; V104-L138 WeakPolarHBondContact CG1-O 3.48Å; V104-L138 HydrophobicContact CG2-CB 3.99Å; V104-L138 HydrophobicContact CG2-CD1 3.88Å; K135-L138 HydrophobicContact CB-CB 4.43Å; K135-L138 HydrophobicContact CB-CD1 4Å; K135-L138 HydrophobicContact CB-CG 4.21Å; K135-L138 HydrophobicContact CD-CD1 3.86Å; K135-L138 PolarHBondContact O-N 2.91Å; L136-L138 PolarHBondContact O-N 2.83Å; L138-D140 VanDerWaalsContact C-N 3.3Å; L138-D140 PolarHBondContact O-N 2.78Å; L138-D141 HydrophobicContact CD2-CB 4.3Å; L138-D141 PolarHBondContact O-N 3.41Å; L138-T144 HydrophobicContact CB-CG2 4.24Å
139R98.2Very high97.9Very high36 Ų3655.2 Ų55.214%0.13627%0.265CS..SBendtrans-63.2-39.8-178.7177.8-179.5-72.3159.9-5.6111.9L136 P155 I156 E175L136-R139 WeakPolarHBondContact O-CB 3.41Å; L136-R139 PolarHBondContact O-N 3.31Å; R139-P155 HydrophobicContact CG-CB 3.99Å; R139-I156 VanDerWaalsContact CZ-O 3.25Å; R139-I156 PolarHBondContact NE-O 2.96Å; R139-I156 PolarHBondContact NH2-O 2.79Å; R139-E175 IonicContact CZ-OE1 3.41Å; R139-E175 IonicContact CZ-OE2 3.04Å; R139-E175 VanDerWaalsContact NH1-CD 3.29Å; R139-E175 IonicContact NH1-OE1 2.64Å; R139-E175 PolarHBondContact NH1-OE1 2.9Å; R139-E175 IonicContact NH1-OE2 3.75Å; R139-E175 PolarHBondContact NH1-OE2 3.16Å; R139-E175 IonicContact NH2-OE1 3.86Å; R139-E175 PolarHBondContact NH2-OE1 3.11Å; R139-E175 IonicContact NH2-OE2 2.82Å; R139-E175 PolarHBondContact NH2-OE2 3.21Å
140D95.4Very high97.9Very high125 Ų12562.8 Ų62.867%0.66830%0.3SS*.SBendtrans-103.66.2-177.5-56.3-43.3000112L138L138-D140 VanDerWaalsContact C-N 3.3Å; L138-D140 PolarHBondContact O-N 2.78Å
141D97.9Very high97.8Very high56 Ų5670.1 Ų70.130%0.29933%0.332SS..  trans-74125.7178174.560.7000111L138 D143 T144 I145L138-D141 HydrophobicContact CD2-CB 4.3Å; L138-D141 PolarHBondContact O-N 3.41Å; D141-D143 PolarHBondContact O-N 3.42Å; D141-T144 PolarHBondContact O-N 3.42Å; D141-T144 WeakPolarHBondContact OD2-CB 3.42Å; D141-T144 PolarHBondContact OD2-N 2.79Å; D141-T144 PolarHBondContact OD2-OG1 3.28Å; D141-I145 VanDerWaalsContact O-CG1 3.25Å; D141-I145 WeakPolarHBondContact O-CG1 3.41Å; D141-I145 PolarHBondContact O-N 3.49Å
142K97.8Very high97.8Very high160 Ų16079.7 Ų79.770%0.69637%0.373SS*.Hα-helixtrans-62.1-49.3-172.4-67.8-177.8-179.8178.10111.9T144 I145 E146K142-T144 VanDerWaalsContact C-N 3.28Å; K142-T144 PolarHBondContact O-N 3.35Å; K142-I145 PolarHBondContact O-N 3.34Å; K142-E146 WeakPolarHBondContact O-CG 3.23Å; K142-E146 PolarHBondContact O-N 2.77Å
143D97.8Very high97.7Very high95 Ų9583.1 Ų83.151%0.50839%0.391SS..Hα-helixtrans-62.4-39.5-178.4-67.73.5000111D141 K147D141-D143 PolarHBondContact O-N 3.42Å; D143-K147 WeakPolarHBondContact O-CB 3.32Å; D143-K147 WeakPolarHBondContact O-CD 3.32Å; D143-K147 VanDerWaalsContact O-CG 3.24Å; D143-K147 WeakPolarHBondContact O-CG 3.35Å; D143-K147 PolarHBondContact O-N 3Å
144T97.1Very high97.7Very high23 Ų2387.7 Ų87.714%0.14142%0.419CS..Hα-helixtrans-67.2-43.6176.8-60.40000111.9V104 L138 D141 K142 E146 K147 L148V104-T144 HydrophobicContact CB-CG2 3.67Å; V104-T144 HydrophobicContact CG1-CG2 3.6Å; V104-T144 HydrophobicContact CG2-CG2 4.12Å; L138-T144 HydrophobicContact CB-CG2 4.24Å; D141-T144 PolarHBondContact O-N 3.42Å; D141-T144 WeakPolarHBondContact OD2-CB 3.42Å; D141-T144 PolarHBondContact OD2-N 2.79Å; D141-T144 PolarHBondContact OD2-OG1 3.28Å; K142-T144 VanDerWaalsContact C-N 3.28Å; K142-T144 PolarHBondContact O-N 3.35Å; T144-E146 VanDerWaalsContact C-N 3.34Å; T144-E146 PolarHBondContact O-N 2.95Å; T144-K147 PolarHBondContact O-N 2.99Å; T144-L148 HydrophobicContact CG2-CD1 4.25Å; T144-L148 WeakPolarHBondContact O-CG 3.44Å; T144-L148 PolarHBondContact O-N 3.22Å
145I97.5Very high97.6Very high68 Ų6888.4 Ų88.435%0.34942%0.424SS..Hα-helixtrans-61-44.2176.1-70.4165.9000110.6D141 K142 L148 K149 P155D141-I145 VanDerWaalsContact O-CG1 3.25Å; D141-I145 WeakPolarHBondContact O-CG1 3.41Å; D141-I145 PolarHBondContact O-N 3.49Å; K142-I145 PolarHBondContact O-N 3.34Å; I145-L148 PolarHBondContact O-N 3.04Å; I145-K149 WeakPolarHBondContact O-CB 3.4Å; I145-K149 PolarHBondContact O-N 2.82Å; I145-P155 HydrophobicContact CG1-CG 4.21Å
146E97.8Very high97.7Very high117 Ų11785.6 Ų85.655%0.54741%0.412SS..Hα-helixtrans-61.8-48.9178.7-74.1176-172.400111.6K142 T144 L148 K149 E150K142-E146 WeakPolarHBondContact O-CG 3.23Å; K142-E146 PolarHBondContact O-N 2.77Å; T144-E146 VanDerWaalsContact C-N 3.34Å; T144-E146 PolarHBondContact O-N 2.95Å; E146-L148 VanDerWaalsContact C-N 3.29Å; E146-L148 PolarHBondContact O-N 2.7Å; E146-K149 WeakPolarHBondContact O-CB 3.41Å; E146-K149 PolarHBondContact O-N 2.87Å; E146-K149 VanDerWaalsContact O-N 3.07Å; E146-E150 WeakPolarHBondContact O-CG 3.37Å; E146-E150 PolarHBondContact O-N 2.91Å
147K97.3Very high97.7Very high124 Ų12487.9 Ų87.954%0.53943%0.426SS..Hα-helixtrans-59.4-36.6176.3-73.4167.2-174.1163.70113.2D143 T144D143-K147 WeakPolarHBondContact O-CB 3.32Å; D143-K147 WeakPolarHBondContact O-CD 3.32Å; D143-K147 VanDerWaalsContact O-CG 3.24Å; D143-K147 WeakPolarHBondContact O-CG 3.35Å; D143-K147 PolarHBondContact O-N 3Å; T144-K147 PolarHBondContact O-N 2.99Å
148L97.1Very high97.7Very high14 Ų1490.8 Ų90.87%0.07344%0.435CS..Hα-helixtrans-70.7-40.8175.1-75.9172.8000111.4V104 T144 I145 E146 E150 K151 K152 L153 P155V104-L148 HydrophobicContact CB-CD1 4.1Å; V104-L148 HydrophobicContact CG1-CD1 4.44Å; T144-L148 HydrophobicContact CG2-CD1 4.25Å; T144-L148 WeakPolarHBondContact O-CG 3.44Å; T144-L148 PolarHBondContact O-N 3.22Å; I145-L148 PolarHBondContact O-N 3.04Å; E146-L148 VanDerWaalsContact C-N 3.29Å; E146-L148 PolarHBondContact O-N 2.7Å; L148-E150 VanDerWaalsContact C-N 3.33Å; L148-E150 PolarHBondContact O-N 2.85Å; L148-K151 CarbonylContact O-C 3.31Å; L148-K151 WeakPolarHBondContact O-CA 3.37Å; L148-K151 PolarHBondContact O-N 2.65Å; L148-K152 PolarHBondContact O-N 2.8Å; L148-L153 CarbonylContact C-O 3.51Å; L148-L153 VanDerWaalsContact C-O 3.31Å; L148-L153 HydrophobicContact CB-CB 4.24Å; L148-L153 HydrophobicContact CD2-CB 3.91Å; L148-L153 HydrophobicContact CD2-CD1 4.26Å; L148-L153 PolarHBondContact O-N 3.37Å; L148-P155 HydrophobicContact CD1-CG 3.78Å
149K97.1Very high97.7Very high160 Ų16092.9 Ų92.970%0.69645%0.451SS*.Hα-helixtrans-62.7-38.3179.3-171.4-179.7179.3-175.90112.2I145 E146 K151 K152I145-K149 WeakPolarHBondContact O-CB 3.4Å; I145-K149 PolarHBondContact O-N 2.82Å; E146-K149 WeakPolarHBondContact O-CB 3.41Å; E146-K149 PolarHBondContact O-N 2.87Å; E146-K149 VanDerWaalsContact O-N 3.07Å; K149-K151 PolarHBondContact O-N 3.33Å; K149-K152 WeakPolarHBondContact O-CA 3.07Å; K149-K152 PolarHBondContact O-N 3.21Å
150E97.4Very high97.7Very high158 Ų15895 Ų9574%0.73846%0.462SS*.Hα-helixtrans-55.2-34.4171.8-71.9174.6176.200112.2E146 L148 K152E146-E150 WeakPolarHBondContact O-CG 3.37Å; E146-E150 PolarHBondContact O-N 2.91Å; L148-E150 VanDerWaalsContact C-N 3.33Å; L148-E150 PolarHBondContact O-N 2.85Å; E150-K152 VanDerWaalsContact C-N 3.34Å
151K96.8Very high97.9Very high155 Ų15589 Ų8967%0.67443%0.43SS*.THydrogen-bonded Turntrans-917.8176.9-60.6179.8-176.8179.80113.4L148 K149 L153L148-K151 CarbonylContact O-C 3.31Å; L148-K151 WeakPolarHBondContact O-CA 3.37Å; L148-K151 PolarHBondContact O-N 2.65Å; K149-K151 PolarHBondContact O-N 3.33Å; K151-L153 HydrophobicContact CB-CD1 4.16Å; K151-L153 HydrophobicContact CB-CG 4.22Å; K151-L153 PolarHBondContact O-N 3.37Å
152K97.6Very high97.9Very high202 Ų20289.3 Ų89.388%0.87843%0.432SS*.THydrogen-bonded Turntrans57.531.1-174-53.5178.9-177.8177.70113.4L148 K149 E150L148-K152 PolarHBondContact O-N 2.8Å; K149-K152 WeakPolarHBondContact O-CA 3.07Å; K149-K152 PolarHBondContact O-N 3.21Å; E150-K152 VanDerWaalsContact C-N 3.34Å
153L97.6Very high98Very high72 Ų7284.3 Ų84.338%0.37742%0.42SS..  trans-109161.5177.4-64.6177.1000110.4P106 L148 K151P106-L153 HydrophobicContact CB-CD2 4.41Å; P106-L153 HydrophobicContact CG-CB 4.25Å; P106-L153 HydrophobicContact CG-CD1 4.31Å; P106-L153 HydrophobicContact CG-CD2 4.29Å; L148-L153 CarbonylContact C-O 3.51Å; L148-L153 VanDerWaalsContact C-O 3.31Å; L148-L153 HydrophobicContact CB-CB 4.24Å; L148-L153 HydrophobicContact CD2-CB 3.91Å; L148-L153 HydrophobicContact CD2-CD1 4.26Å; L148-L153 PolarHBondContact O-N 3.37Å; K151-L153 HydrophobicContact CB-CD1 4.16Å; K151-L153 HydrophobicContact CB-CG 4.22Å; K151-L153 PolarHBondContact O-N 3.37Å
154T97.9Very high98Very high95 Ų9580 Ų8058%0.58340%0.397SS*.  trans-132.5153172.554.10000109.6P106P106-T154 WeakPolarHBondContact CG-O 2.83Å
155P98.6Very high98.1Very high19 Ų1979.1 Ų79.112%0.12339%0.392CS..PPolyproline II helixtrans-56.4146.5170.1-2433.5000111.9L103 V104 R139 I145 L148 T157L103-P155 CarbonylContact O-C 3.59Å; L103-P155 WeakPolarHBondContact O-CA 3.12Å; V104-P155 HydrophobicContact CG1-CB 4.37Å; R139-P155 HydrophobicContact CG-CB 3.99Å; I145-P155 HydrophobicContact CG1-CG 4.21Å; L148-P155 HydrophobicContact CD1-CG 3.78Å; P155-T157 PolarHBondContact O-N 3.19Å
156I98.8Very high98.1Very high7 Ų783.3 Ų83.34%0.03641%0.408CS..PPolyproline II helixtrans-68.4126.4175.1-55.3-56.4000109.3F101 L103 P106 F109 R139 Q160F101-I156 HydrophobicContact CE2-CB 4.05Å; F101-I156 HydrophobicContact CE2-CG1 4.14Å; F101-I156 HydrophobicContact CE2-CG2 3.82Å; F101-I156 HydrophobicContact CZ-CG2 4.23Å; L103-I156 HydrophobicContact CD2-CB 4.22Å; L103-I156 HydrophobicContact CD2-CG2 4.48Å; L103-I156 PolarHBondContact O-N 2.95Å; P106-I156 HydrophobicContact CB-CD1 4.16Å; P106-I156 HydrophobicContact CG-CD1 4.26Å; F109-I156 HydrophobicContact CB-CD1 4.01Å; F109-I156 HydrophobicContact CB-CG1 3.93Å; F109-I156 HydrophobicContact CD1-CD1 3.74Å; F109-I156 HydrophobicContact CD1-CG1 4.33Å; F109-I156 HydrophobicContact CD2-CG2 4.13Å; F109-I156 HydrophobicContact CE1-CD1 4.4Å; F109-I156 HydrophobicContact CE2-CG2 4.14Å; F109-I156 HydrophobicContact CG-CD1 3.93Å; F109-I156 HydrophobicContact CG-CG1 4.02Å; F109-I156 HydrophobicContact CG-CG2 4.3Å; F109-I156 HydrophobicContact CZ-CG2 4.32Å; R139-I156 VanDerWaalsContact CZ-O 3.25Å; R139-I156 PolarHBondContact NE-O 2.96Å; R139-I156 PolarHBondContact NH2-O 2.79Å; I156-Q160 HydrophobicContact CG2-CB 3.92Å
157T98.8Very high98.2Very high63 Ų6383 Ų8339%0.38741%0.406SS..PPolyproline II helixtrans-83.9158.3177.965.70000111.6P155 Q160 G161P155-T157 PolarHBondContact O-N 3.19Å; T157-Q160 PolarHBondContact O-N 2.94Å; T157-Q160 WeakPolarHBondContact OG1-CG 3.36Å; T157-Q160 PolarHBondContact OG1-N 3.35Å; T157-Q160 PolarHBondContact OG1-OE1 2.75Å; T157-G161 PolarHBondContact O-N 3.11Å; T157-G161 VanDerWaalsContact O-N 3.12Å
158Y98.7Very high98.2Very high111 Ų11177.1 Ų77.144%0.43538%0.381SS..Hα-helixtrans-56.3-44.3176.4-173.7-83.7000113.2Q160 G161 L162 Y173 E175Y158-Q160 VanDerWaalsContact C-N 3.32Å; Y158-Q160 PolarHBondContact O-N 3.33Å; Y158-G161 PolarHBondContact O-N 2.94Å; Y158-L162 HydrophobicContact CE1-CB 4.39Å; Y158-L162 HydrophobicContact CE1-CD2 4.28Å; Y158-L162 WeakPolarHBondContact O-CB 3.12Å; Y158-L162 PolarHBondContact O-N 2.99Å; Y158-Y173 HydrophobicContact CD2-CD1 4.25Å; Y158-Y173 AromaticContact CD2-CE1 3.78Å; Y158-Y173 HydrophobicContact CD2-CE1 3.78Å; Y158-Y173 AromaticContact CE2-CD1 3.91Å; Y158-Y173 HydrophobicContact CE2-CD1 3.91Å; Y158-Y173 AromaticContact CE2-CE1 3.89Å; Y158-Y173 HydrophobicContact CE2-CE1 3.89Å; Y158-Y173 HydrophobicContact CG-CE1 4.17Å; Y158-Y173 WeakPolarHBondContact O-CE1 3.41Å; Y158-E175 VanDerWaalsContact CA-OE1 3.3Å; Y158-E175 WeakPolarHBondContact CA-OE1 3.16Å; Y158-E175 HydrophobicContact CD2-CG 4.25Å; Y158-E175 WeakPolarHBondContact CD2-OE1 3.36Å
159P98.8Very high98.2Very high91 Ų9178.6 Ų78.659%0.59140%0.4SS*.Hα-helixtrans-60.8-36.5176.7-25.836.7000114L162 A163P159-L162 PolarHBondContact O-N 3.07Å; P159-A163 WeakPolarHBondContact O-CB 3.31Å; P159-A163 PolarHBondContact O-N 3.16Å
160Q98.8Very high98.2Very high79 Ų7971.8 Ų71.837%0.36937%0.373SS..Hα-helixtrans-64.6-47.8175.5-74166.4-5300111F109 I156 T157 Y158 L162 A163 M164F109-Q160 HydrophobicContact CE1-CB 4.46Å; F109-Q160 HydrophobicContact CZ-CB 4.19Å; F109-Q160 WeakPolarHBondContact CZ-O 3.21Å; I156-Q160 HydrophobicContact CG2-CB 3.92Å; T157-Q160 PolarHBondContact O-N 2.94Å; T157-Q160 WeakPolarHBondContact OG1-CG 3.36Å; T157-Q160 PolarHBondContact OG1-N 3.35Å; T157-Q160 PolarHBondContact OG1-OE1 2.75Å; Y158-Q160 VanDerWaalsContact C-N 3.32Å; Y158-Q160 PolarHBondContact O-N 3.33Å; Q160-L162 VanDerWaalsContact C-N 3.32Å; Q160-L162 PolarHBondContact O-N 3.07Å; Q160-A163 WeakPolarHBondContact O-CB 3.46Å; Q160-A163 PolarHBondContact O-N 2.92Å; Q160-A163 VanDerWaalsContact O-N 3.16Å; Q160-M164 PolarHBondContact O-N 3.32Å
161G98.8Very high98.2Very high0 Ų067.1 Ų67.10%036%0.355CS..Hα-helixtrans-60.8-40.5176.500000113.1L131 T157 Y158 A163 M164 A165 Y173L131-G161 WeakPolarHBondContact CD2-O 3.42Å; T157-G161 PolarHBondContact O-N 3.11Å; T157-G161 VanDerWaalsContact O-N 3.12Å; Y158-G161 PolarHBondContact O-N 2.94Å; G161-A163 VanDerWaalsContact C-N 3.34Å; G161-A163 PolarHBondContact O-N 3.36Å; G161-M164 PolarHBondContact O-N 2.99Å; G161-A165 PolarHBondContact O-N 2.65Å; G161-Y173 VanDerWaalsContact CA-CZ 3.48Å
162L98.7Very high98.3Very high62 Ų6263.8 Ų63.833%0.32534%0.341SS..Hα-helixtrans-64.6-37.4175.1-17563.9000112.3Y158 P159 Q160 A165 K166 Y173Y158-L162 HydrophobicContact CE1-CB 4.39Å; Y158-L162 HydrophobicContact CE1-CD2 4.28Å; Y158-L162 WeakPolarHBondContact O-CB 3.12Å; Y158-L162 PolarHBondContact O-N 2.99Å; P159-L162 PolarHBondContact O-N 3.07Å; Q160-L162 VanDerWaalsContact C-N 3.32Å; Q160-L162 PolarHBondContact O-N 3.07Å; L162-A165 PolarHBondContact O-N 3.04Å; L162-K166 WeakPolarHBondContact O-CG 3.42Å; L162-K166 PolarHBondContact O-N 3.3Å; L162-Y173 HydrophobicContact CB-CD1 4.12Å
163A98.8Very high98.3Very high55 Ų5554.6 Ų54.646%0.45530%0.301SS..Hα-helixtrans-64.7-46175.400000111.5P159 Q160 G161 A165 K166 E167P159-A163 WeakPolarHBondContact O-CB 3.31Å; P159-A163 PolarHBondContact O-N 3.16Å; Q160-A163 WeakPolarHBondContact O-CB 3.46Å; Q160-A163 PolarHBondContact O-N 2.92Å; Q160-A163 VanDerWaalsContact O-N 3.16Å; G161-A163 VanDerWaalsContact C-N 3.34Å; G161-A163 PolarHBondContact O-N 3.36Å; A163-A165 VanDerWaalsContact C-N 3.34Å; A163-A165 PolarHBondContact O-N 3.46Å; A163-K166 WeakPolarHBondContact O-CB 3.36Å; A163-K166 PolarHBondContact O-N 3.44Å; A163-E167 PolarHBondContact O-N 3.07Å
164M98.8Very high98.4Very high5 Ų552.2 Ų52.23%0.02529%0.288CS..Hα-helixtrans-59.6-43.1175.1179.966.370.200111.9F109 V112 R113 L131 Q160 G161 K166 E167 I168F109-M164 HydrophobicContact CD1-CE 4.28Å; F109-M164 HydrophobicContact CD2-CE 4.38Å; F109-M164 HydrophobicContact CD2-CG 4.5Å; F109-M164 HydrophobicContact CE1-CE 3.87Å; F109-M164 HydrophobicContact CE2-CB 3.47Å; F109-M164 VanDerWaalsContact CE2-CB 3.47Å; F109-M164 HydrophobicContact CE2-CE 3.98Å; F109-M164 HydrophobicContact CE2-CG 3.78Å; F109-M164 HydrophobicContact CZ-CB 3.55Å; F109-M164 HydrophobicContact CZ-CE 3.73Å; F109-M164 HydrophobicContact CZ-CG 4.15Å; V112-M164 HydrophobicContact CB-CG 4.31Å; V112-M164 HydrophobicContact CB-SD 4.18Å; V112-M164 HydrophobicContact CG1-CG 3.82Å; V112-M164 HydrophobicContact CG1-SD 3.92Å; R113-M164 HydrophobicContact CB-CE 4.32Å; R113-M164 HydrophobicContact CB-SD 3.89Å; R113-M164 HydrophobicContact CG-CE 3.99Å; R113-M164 HydrophobicContact CG-SD 4.24Å; L131-M164 HydrophobicContact CD2-CB 3.86Å; L131-M164 HydrophobicContact CD2-CG 3.67Å; Q160-M164 PolarHBondContact O-N 3.32Å; G161-M164 PolarHBondContact O-N 2.99Å; M164-K166 VanDerWaalsContact C-N 3.28Å; M164-K166 PolarHBondContact O-N 3.36Å; M164-E167 WeakPolarHBondContact O-CB 3.39Å; M164-E167 PolarHBondContact O-N 3.46Å; M164-E167 VanDerWaalsContact O-N 3.12Å; M164-I168 WeakPolarHBondContact O-CG1 3.23Å; M164-I168 PolarHBondContact O-N 3Å; M164-I168 HydrophobicContact SD-CG2 4.05Å
165A98.7Very high98.4Very high5 Ų549 Ų494%0.04127%0.267CS..Hα-helixtrans-60.1-38.8177.100000112.5L131 G161 L162 A163 G169 A170 Y173L131-A165 HydrophobicContact CB-CB 4.18Å; L131-A165 HydrophobicContact CD2-CB 3.87Å; G161-A165 PolarHBondContact O-N 2.65Å; L162-A165 PolarHBondContact O-N 3.04Å; A163-A165 VanDerWaalsContact C-N 3.34Å; A163-A165 PolarHBondContact O-N 3.46Å; A165-G169 PolarHBondContact O-N 3.49Å; A165-A170 HydrophobicContact CB-CB 4.07Å; A165-A170 PolarHBondContact O-N 2.97Å; A165-Y173 HydrophobicContact CB-CG 4.4Å
166K98.4Very high98.4Very high155 Ų15548.1 Ų48.167%0.67426%0.261SS*.Hα-helixtrans-66.8-42.2173.6-70.1173.4-178.3176.90111.7L162 A163 M164 G169L162-K166 WeakPolarHBondContact O-CG 3.42Å; L162-K166 PolarHBondContact O-N 3.3Å; A163-K166 WeakPolarHBondContact O-CB 3.36Å; A163-K166 PolarHBondContact O-N 3.44Å; M164-K166 VanDerWaalsContact C-N 3.28Å; M164-K166 PolarHBondContact O-N 3.36Å; K166-G169 PolarHBondContact O-N 2.81Å
167E98.2Very high98.4Very high110 Ų11047.8 Ų47.851%0.51426%0.259SS..Hα-helixtrans-58.3-46.9178.6-175.1179.5146.900111.7R113 A163 M164 G169R113-E167 WeakPolarHBondContact CD-OE1 3.2Å; R113-E167 IonicContact NH1-OE1 3.24Å; R113-E167 IonicContact NH1-OE2 3.99Å; A163-E167 PolarHBondContact O-N 3.07Å; M164-E167 WeakPolarHBondContact O-CB 3.39Å; M164-E167 PolarHBondContact O-N 3.46Å; M164-E167 VanDerWaalsContact O-N 3.12Å; E167-G169 VanDerWaalsContact C-N 3.32Å; E167-G169 PolarHBondContact O-N 2.86Å
168I97.9Very high98.4Very high2 Ų245.4 Ų45.41%0.0125%0.246CC..THydrogen-bonded Turntrans-860.1-178.773.8175.1000113.9V112 Y117 I129 L131 M164 A170V112-I168 HydrophobicContact CG1-CD1 3.86Å; V112-I168 HydrophobicContact CG1-CG2 4.31Å; Y117-I168 HydrophobicContact CD1-CB 4.28Å; Y117-I168 HydrophobicContact CD1-CG2 4.1Å; Y117-I168 HydrophobicContact CD2-CB 3.58Å; Y117-I168 HydrophobicContact CD2-CG1 4.48Å; Y117-I168 HydrophobicContact CD2-CG2 4.17Å; Y117-I168 HydrophobicContact CE2-CB 3.88Å; Y117-I168 WeakPolarHBondContact CE2-O 3.08Å; Y117-I168 HydrophobicContact CG-CB 3.76Å; Y117-I168 HydrophobicContact CG-CG2 3.8Å; I129-I168 HydrophobicContact CG2-CD1 4.36Å; L131-I168 HydrophobicContact CB-CD1 4.37Å; L131-I168 HydrophobicContact CD1-CD1 4.18Å; M164-I168 WeakPolarHBondContact O-CG1 3.23Å; M164-I168 PolarHBondContact O-N 3Å; M164-I168 HydrophobicContact SD-CG2 4.05Å; I168-A170 VanDerWaalsContact C-N 3.31Å; I168-A170 HydrophobicContact CD1-CB 4.13Å; I168-A170 HydrophobicContact CG1-CB 3.92Å; I168-A170 PolarHBondContact O-N 2.94Å
169G97Very high98.3Very high45 Ų4544.6 Ų44.646%0.46425%0.249SC..THydrogen-bonded Turntrans61.336.3-175.800000113.7A165 K166 E167A165-G169 PolarHBondContact O-N 3.49Å; K166-G169 PolarHBondContact O-N 2.81Å; E167-G169 VanDerWaalsContact C-N 3.32Å; E167-G169 PolarHBondContact O-N 2.86Å
170A97.8Very high98.2Very high17 Ų1744.2 Ų44.214%0.1425%0.245CC..  trans-67143.6170.600000110I129 L131 A165 I168 K172I129-A170 HydrophobicContact CG2-CB 4.23Å; I129-A170 CarbonylContact O-C 3.43Å; I129-A170 VanDerWaalsContact O-CA 3.29Å; I129-A170 WeakPolarHBondContact O-CA 3.4Å; I129-A170 WeakPolarHBondContact O-CB 3.36Å; L131-A170 HydrophobicContact CB-CB 4.15Å; A165-A170 HydrophobicContact CB-CB 4.07Å; A165-A170 PolarHBondContact O-N 2.97Å; I168-A170 VanDerWaalsContact C-N 3.31Å; I168-A170 HydrophobicContact CD1-CB 4.13Å; I168-A170 HydrophobicContact CG1-CB 3.92Å; I168-A170 PolarHBondContact O-N 2.94Å; A170-K172 VanDerWaalsContact C-N 3.26Å; A170-K172 PolarHBondContact O-N 3.21Å
171V96.8Very high98.1Very high59 Ų5944.3 Ų44.336%0.35825%0.245SC..SBendtrans-73.8-24179.2-54.80000111.6P128 I129 I130 A194 P199P128-V171 HydrophobicContact CB-CG1 4.05Å; P128-V171 HydrophobicContact CB-CG2 4.49Å; I129-V171 PolarHBondContact O-N 3.15Å; I130-V171 HydrophobicContact CD1-CG2 3.31Å; I130-V171 HydrophobicContact CG1-CG2 4.42Å; V171-A194 HydrophobicContact CG2-CB 3.83Å; V171-P199 HydrophobicContact CG1-CG 4.02Å
172K98.1Very high98.1Very high86 Ų8652.3 Ų52.337%0.37428%0.275SS..EExtended strand (participates in β ladder)trans-151.3149.9176.7-149.977.5173.4-134.80111.6I130 L131 A170 L174 E190I130-K172 HydrophobicContact CD1-CB 3.7Å; I130-K172 HydrophobicContact CG2-CB 4.39Å; L131-K172 PolarHBondContact N-O 3.34Å; A170-K172 VanDerWaalsContact C-N 3.26Å; A170-K172 PolarHBondContact O-N 3.21Å; K172-L174 HydrophobicContact CB-CG 4.49Å; K172-L174 HydrophobicContact CG-CD1 4.23Å; K172-L174 HydrophobicContact CG-CD2 3.97Å; K172-L174 HydrophobicContact CG-CG 3.89Å; K172-E190 WeakPolarHBondContact CD-OE2 3.47Å; K172-E190 WeakPolarHBondContact CE-OE2 3.39Å; K172-E190 IonicContact NZ-OE1 3.5Å; K172-E190 IonicContact NZ-OE2 2.64Å; K172-E190 PolarHBondContact NZ-OE2 2.93Å
173Y98.8Very high98.1Very high8 Ų850.6 Ų50.63%0.03127%0.272CS..EExtended strand (participates in β ladder)trans-109.8130161177.3-127.6000109.4F101 L131 Y158 G161 L162 A165 E175F101-Y173 AromaticContact CE1-CE2 3.84Å; F101-Y173 HydrophobicContact CE1-CE2 3.84Å; F101-Y173 AromaticContact CZ-CE2 3.91Å; F101-Y173 HydrophobicContact CZ-CE2 3.91Å; L131-Y173 HydrophobicContact CB-CD2 4.12Å; L131-Y173 HydrophobicContact CD2-CD2 3.92Å; L131-Y173 HydrophobicContact CD2-CE2 4.33Å; L131-Y173 HydrophobicContact CG-CD2 3.92Å; L131-Y173 HydrophobicContact CG-CE2 4.34Å; L131-Y173 WeakPolarHBondContact O-CA 3.48Å; L131-Y173 WeakPolarHBondContact O-CD2 3.44Å; Y158-Y173 HydrophobicContact CD2-CD1 4.25Å; Y158-Y173 AromaticContact CD2-CE1 3.78Å; Y158-Y173 HydrophobicContact CD2-CE1 3.78Å; Y158-Y173 AromaticContact CE2-CD1 3.91Å; Y158-Y173 HydrophobicContact CE2-CD1 3.91Å; Y158-Y173 AromaticContact CE2-CE1 3.89Å; Y158-Y173 HydrophobicContact CE2-CE1 3.89Å; Y158-Y173 HydrophobicContact CG-CE1 4.17Å; Y158-Y173 WeakPolarHBondContact O-CE1 3.41Å; G161-Y173 VanDerWaalsContact CA-CZ 3.48Å; L162-Y173 HydrophobicContact CB-CD1 4.12Å; A165-Y173 HydrophobicContact CB-CG 4.4Å; Y173-E175 HydrophobicContact CE1-CG 3.93Å; Y173-E175 HydrophobicContact CE2-CG 4.28Å; Y173-E175 VanDerWaalsContact OH-CG 3.28Å; Y173-E175 WeakPolarHBondContact OH-CG 3.46Å; Y173-E175 PolarHBondContact OH-OE1 3.17Å
174L98.9Very high98.1Very high22 Ų2248.3 Ų48.312%0.11525%0.253CS..EExtended strand (participates in β ladder)trans-136.2151.1178.6-62168.2000110.1I130 L131 V132 G133 K172 T186 V187 E190I130-L174 HydrophobicContact CG2-CD1 3.99Å; I130-L174 HydrophobicContact CG2-CG 4.49Å; L131-L174 PolarHBondContact O-N 2.96Å; V132-L174 CarbonylContact C-O 3.41Å; V132-L174 WeakPolarHBondContact CA-O 3.39Å; G133-L174 PolarHBondContact N-O 3.29Å; K172-L174 HydrophobicContact CB-CG 4.49Å; K172-L174 HydrophobicContact CG-CD1 4.23Å; K172-L174 HydrophobicContact CG-CD2 3.97Å; K172-L174 HydrophobicContact CG-CG 3.89Å; L174-T186 HydrophobicContact CD2-CG2 4.17Å; L174-V187 HydrophobicContact CB-CG2 4.02Å; L174-V187 HydrophobicContact CD1-CB 4.49Å; L174-V187 HydrophobicContact CD1-CG2 4.26Å; L174-E190 HydrophobicContact CD1-CB 3.71Å; L174-E190 HydrophobicContact CD1-CG 3.77Å; L174-E190 HydrophobicContact CD2-CG 4.43Å
175E98.9Very high98Very high28 Ų2853.7 Ų53.713%0.13128%0.276CS..EExtended strand (participates in β ladder)trans-121.4142.7174.8-65.1175.6172.300109.5L103 G133 L136 R139 Y158 Y173L103-E175 HydrophobicContact CD1-CB 4.3Å; L103-E175 HydrophobicContact CD1-CG 4.21Å; L103-E175 HydrophobicContact CD2-CG 4.44Å; G133-E175 CarbonylContact O-C 3.52Å; G133-E175 VanDerWaalsContact O-CA 3.25Å; G133-E175 WeakPolarHBondContact O-CA 3.48Å; L136-E175 HydrophobicContact CD1-CB 4.35Å; L136-E175 HydrophobicContact CD2-CB 4.28Å; R139-E175 IonicContact CZ-OE1 3.41Å; R139-E175 IonicContact CZ-OE2 3.04Å; R139-E175 VanDerWaalsContact NH1-CD 3.29Å; R139-E175 IonicContact NH1-OE1 2.64Å; R139-E175 PolarHBondContact NH1-OE1 2.9Å; R139-E175 IonicContact NH1-OE2 3.75Å; R139-E175 PolarHBondContact NH1-OE2 3.16Å; R139-E175 IonicContact NH2-OE1 3.86Å; R139-E175 PolarHBondContact NH2-OE1 3.11Å; R139-E175 IonicContact NH2-OE2 2.82Å; R139-E175 PolarHBondContact NH2-OE2 3.21Å; Y158-E175 VanDerWaalsContact CA-OE1 3.3Å; Y158-E175 WeakPolarHBondContact CA-OE1 3.16Å; Y158-E175 HydrophobicContact CD2-CG 4.25Å; Y158-E175 WeakPolarHBondContact CD2-OE1 3.36Å; Y173-E175 HydrophobicContact CE1-CG 3.93Å; Y173-E175 HydrophobicContact CE2-CG 4.28Å; Y173-E175 VanDerWaalsContact OH-CG 3.28Å; Y173-E175 WeakPolarHBondContact OH-CG 3.46Å; Y173-E175 PolarHBondContact OH-OE1 3.17Å
176C98.8Very high98Very high1 Ų156.6 Ų56.61%0.00729%0.293CS..  trans-151.2161.9179.765.30000113L19 G133 T134 K135 L136 R182 V187L19-C176 WeakPolarHBondContact CD1-SG 3.36Å; G133-C176 PolarHBondContact O-N 3.02Å; T134-C176 CarbonylContact C-O 3.57Å; T134-C176 WeakPolarHBondContact CA-O 3.13Å; K135-C176 PolarHBondContact N-O 3.31Å; K135-C176 VanDerWaalsContact N-O 3.15Å; L136-C176 WeakPolarHBondContact CB-O 3.11Å; L136-C176 PolarHBondContact N-O 3.2Å; C176-R182 CarbonylContact C-O 3.54Å; C176-R182 WeakPolarHBondContact CA-O 3.32Å; C176-R182 WeakPolarHBondContact CB-O 3.49Å; C176-V187 HydrophobicContact CB-CG2 4.04Å
177S98.6Very high98Very high0 Ų049.2 Ų49.20%026%0.261CS..  trans-121.6118.3168169.20000107.8D137 L179 T180 Q181 R182D137-S177 VanDerWaalsContact CG-OG 3.25Å; D137-S177 WeakPolarHBondContact OD1-CB 3.24Å; D137-S177 PolarHBondContact OD1-OG 3.41Å; S177-L179 PolarHBondContact OG-N 2.93Å; S177-T180 WeakPolarHBondContact CB-OG1 3.4Å; S177-T180 PolarHBondContact OG-N 2.67Å; S177-T180 PolarHBondContact OG-OG1 2.86Å; S177-Q181 CarbonylContact O-C 3.5Å; S177-Q181 WeakPolarHBondContact O-CA 3.42Å; S177-Q181 PolarHBondContact O-N 3.25Å; S177-R182 PolarHBondContact N-O 3.47Å; S177-R182 PolarHBondContact O-N 3.34Å
178A97.8Very high98Very high12 Ų1244 Ų4410%0.09924%0.236CC..THydrogen-bonded Turntrans-68.6-28.3172.700000111.5C18 S22 F28C18-A178 HydrophobicContact CB-CB 4.04Å; S22-A178 WeakPolarHBondContact CB-O 3.35Å; S22-A178 PolarHBondContact OG-O 3.13Å; F28-A178 HydrophobicContact CD2-CB 4.2Å; F28-A178 HydrophobicContact CE2-CB 4.02Å
179L96.5Very high97.9Very high95 Ų9544.8 Ų44.850%0.49724%0.241SC..THydrogen-bonded Turntrans-71.3-50.5-179.5178.562.3000112F28 S177F28-L179 HydrophobicContact CB-CD1 4.27Å; F28-L179 HydrophobicContact CD1-CD1 3.97Å; F28-L179 VanDerWaalsContact CD2-CA 3.48Å; F28-L179 HydrophobicContact CD2-CB 4.03Å; F28-L179 HydrophobicContact CD2-CD1 4.16Å; F28-L179 HydrophobicContact CE1-CD1 4.34Å; F28-L179 HydrophobicContact CE2-CB 4Å; F28-L179 HydrophobicContact CE2-CD1 4.5Å; F28-L179 HydrophobicContact CG-CD1 3.86Å; S177-L179 PolarHBondContact OG-N 2.93Å
180T97.4Very high98Very high83 Ų8344.7 Ų44.751%0.50923%0.228SC..THydrogen-bonded Turntrans-92.2-2.8-179.165.40000112.9D137 S177 R182D137-T180 HydrophobicContact CB-CG2 4.01Å; S177-T180 WeakPolarHBondContact CB-OG1 3.4Å; S177-T180 PolarHBondContact OG-N 2.67Å; S177-T180 PolarHBondContact OG-OG1 2.86Å; T180-R182 PolarHBondContact O-N 3.25Å
181Q97.6Very high98Very high81 Ų8143.9 Ų43.938%0.37922%0.222SC..  trans59.15.3-172.7-60.7-179.7-22.700115.4N26 S177 G183 L184N26-Q181 VanDerWaalsContact C-NE2 3.34Å; N26-Q181 PolarHBondContact O-NE2 2.79Å; N26-Q181 VanDerWaalsContact O-NE2 3.16Å; S177-Q181 CarbonylContact O-C 3.5Å; S177-Q181 WeakPolarHBondContact O-CA 3.42Å; S177-Q181 PolarHBondContact O-N 3.25Å; Q181-G183 PolarHBondContact O-N 2.73Å; Q181-L184 HydrophobicContact CB-CD2 4.33Å; Q181-L184 HydrophobicContact CG-CD2 4.08Å; Q181-L184 VanDerWaalsContact O-CB 3.31Å; Q181-L184 WeakPolarHBondContact O-CB 3.26Å; Q181-L184 PolarHBondContact O-N 2.84Å; Q181-L184 VanDerWaalsContact O-N 3.14Å
182R98.4Very high98Very high167 Ų16741 Ų4163%0.6321%0.205SC*.THydrogen-bonded Turntrans-59123.5176.3-173.9177.2179.1-171.91110.1L136 C176 S177 T180 L184L136-R182 HydrophobicContact CD2-CG 4.18Å; C176-R182 CarbonylContact C-O 3.54Å; C176-R182 WeakPolarHBondContact CA-O 3.32Å; C176-R182 WeakPolarHBondContact CB-O 3.49Å; S177-R182 PolarHBondContact N-O 3.47Å; S177-R182 PolarHBondContact O-N 3.34Å; T180-R182 PolarHBondContact O-N 3.25Å; R182-L184 PolarHBondContact O-N 2.8Å
183G98.3Very high97.8Very high26 Ų2640 Ų4027%0.26820%0.198SC..THydrogen-bonded Turntrans73.8-3.9178.200000115.4Q181 T186 V187Q181-G183 PolarHBondContact O-N 2.73Å; G183-T186 WeakPolarHBondContact O-CB 3.23Å; G183-T186 PolarHBondContact O-N 3.06Å; G183-V187 PolarHBondContact O-N 3.16Å
184L97.8Very high97.6Very high7 Ų740.1 Ų40.14%0.03720%0.201CC..Hα-helixtrans-61.5-52.8-172.3-17663.2000112.3L19 S22 Q181 R182 T186 V187 F188L19-L184 HydrophobicContact CD1-CD1 3.3Å; L19-L184 HydrophobicContact CG-CD1 3.91Å; S22-L184 WeakPolarHBondContact OG-CD2 3.33Å; Q181-L184 HydrophobicContact CB-CD2 4.33Å; Q181-L184 HydrophobicContact CG-CD2 4.08Å; Q181-L184 VanDerWaalsContact O-CB 3.31Å; Q181-L184 WeakPolarHBondContact O-CB 3.26Å; Q181-L184 PolarHBondContact O-N 2.84Å; Q181-L184 VanDerWaalsContact O-N 3.14Å; R182-L184 PolarHBondContact O-N 2.8Å; L184-T186 VanDerWaalsContact C-N 3.28Å; L184-T186 PolarHBondContact O-N 2.87Å; L184-V187 WeakPolarHBondContact O-CB 3.3Å; L184-V187 PolarHBondContact O-N 3.07Å; L184-F188 HydrophobicContact CD1-CE2 3.87Å; L184-F188 HydrophobicContact CG-CE2 4.4Å; L184-F188 VanDerWaalsContact O-CD2 3.29Å; L184-F188 WeakPolarHBondContact O-CD2 3.47Å
185K97.1Very high97.3Very high119 Ų11940.4 Ų40.452%0.51720%0.204SC..Hα-helixtrans-58.2-41.5177.7-170.8-172.1-174.9-53.60111.9V187 F188 D189K185-V187 VanDerWaalsContact C-N 3.27Å; K185-V187 PolarHBondContact O-N 3.49Å; K185-F188 PolarHBondContact O-N 2.79Å; K185-D189 IonicContact NZ-OD1 3.79Å; K185-D189 PolarHBondContact NZ-OD1 2.88Å; K185-D189 IonicContact NZ-OD2 2.8Å; K185-D189 PolarHBondContact NZ-OD2 2.88Å; K185-D189 PolarHBondContact O-N 2.99Å
186T98.3Very high96.9Very high65 Ų6540.2 Ų40.240%0.39920%0.203SC..Hα-helixtrans-60.5-35.9-178.9-50.30000112.2L174 G183 L184 F188 E190L174-T186 HydrophobicContact CD2-CG2 4.17Å; G183-T186 WeakPolarHBondContact O-CB 3.23Å; G183-T186 PolarHBondContact O-N 3.06Å; L184-T186 VanDerWaalsContact C-N 3.28Å; L184-T186 PolarHBondContact O-N 2.87Å; T186-F188 PolarHBondContact O-N 3.19Å; T186-E190 HydrophobicContact CG2-CG 4.15Å; T186-E190 WeakPolarHBondContact O-CB 3.41Å; T186-E190 VanDerWaalsContact O-CG 3.25Å; T186-E190 WeakPolarHBondContact O-CG 3.48Å; T186-E190 PolarHBondContact O-N 3.01Å
187V98.6Very high96.3Very high0 Ų043.9 Ų43.90%023%0.228CC..Hα-helixtrans-56.9-50.2175.7171.30000111.2L98 V132 L174 C176 G183 L184 K185 A191L98-V187 HydrophobicContact CD1-CG1 3.83Å; L98-V187 HydrophobicContact CD2-CG1 4.22Å; V132-V187 HydrophobicContact CG1-CG1 4.37Å; V132-V187 HydrophobicContact CG1-CG2 4.07Å; V132-V187 HydrophobicContact CG2-CG1 3.85Å; L174-V187 HydrophobicContact CB-CG2 4.02Å; L174-V187 HydrophobicContact CD1-CB 4.49Å; L174-V187 HydrophobicContact CD1-CG2 4.26Å; C176-V187 HydrophobicContact CB-CG2 4.04Å; G183-V187 PolarHBondContact O-N 3.16Å; L184-V187 WeakPolarHBondContact O-CB 3.3Å; L184-V187 PolarHBondContact O-N 3.07Å; K185-V187 VanDerWaalsContact C-N 3.27Å; K185-V187 PolarHBondContact O-N 3.49Å; V187-A191 WeakPolarHBondContact O-CB 3.44Å; V187-A191 PolarHBondContact O-N 2.65Å
188F98.1Very high95.2Very high0 Ų048.3 Ų48.30%026%0.257CS..Hα-helixtrans-77.2-35.1-176.5-62.5-77.3000112.7L19 L20 Y23 L53 L55 L98 L184 K185 T186 A191 I192L19-F188 HydrophobicContact CD2-CZ 4Å; L19-F188 HydrophobicContact CG-CE2 4.14Å; L19-F188 HydrophobicContact CG-CZ 3.9Å; L20-F188 HydrophobicContact CD2-CE1 3.9Å; L20-F188 HydrophobicContact CD2-CZ 3.94Å; Y23-F188 VanDerWaalsContact CB-CE2 3.41Å; Y23-F188 HydrophobicContact CD1-CD1 4.2Å; Y23-F188 AromaticContact CD1-CD2 3.81Å; Y23-F188 HydrophobicContact CD1-CD2 3.81Å; Y23-F188 HydrophobicContact CD1-CE1 4.28Å; Y23-F188 AromaticContact CD1-CE2 3.9Å; Y23-F188 HydrophobicContact CD1-CE2 3.9Å; Y23-F188 AromaticContact CD1-CG 3.96Å; Y23-F188 HydrophobicContact CD1-CG 3.96Å; Y23-F188 HydrophobicContact CD1-CZ 4.12Å; Y23-F188 HydrophobicContact CD2-CB 4.32Å; Y23-F188 AromaticContact CD2-CD2 3.23Å; Y23-F188 HydrophobicContact CD2-CD2 3.23Å; Y23-F188 AromaticContact CD2-CE2 3.7Å; Y23-F188 HydrophobicContact CD2-CE2 3.7Å; Y23-F188 AromaticContact CD2-CG 3.92Å; Y23-F188 HydrophobicContact CD2-CG 3.92Å; Y23-F188 HydrophobicContact CE1-CB 4.12Å; Y23-F188 HydrophobicContact CE1-CD1 4.17Å; Y23-F188 HydrophobicContact CE1-CD2 4.09Å; Y23-F188 AromaticContact CE1-CG 3.85Å; Y23-F188 HydrophobicContact CE1-CG 3.85Å; Y23-F188 HydrophobicContact CE2-CB 3.7Å; Y23-F188 AromaticContact CE2-CD2 3.54Å; Y23-F188 HydrophobicContact CE2-CD2 3.54Å; Y23-F188 HydrophobicContact CE2-CE2 4.41Å; Y23-F188 AromaticContact CE2-CG 3.79Å; Y23-F188 HydrophobicContact CE2-CG 3.79Å; Y23-F188 AromaticContact CG-CD2 3.36Å; Y23-F188 HydrophobicContact CG-CD2 3.36Å; Y23-F188 AromaticContact CG-CE2 3.38Å; Y23-F188 HydrophobicContact CG-CE2 3.38Å; Y23-F188 AromaticContact CG-CG 3.98Å; Y23-F188 HydrophobicContact CG-CG 3.98Å; Y23-F188 HydrophobicContact CG-CZ 4Å; Y23-F188 AromaticContact CZ-CD2 3.95Å; Y23-F188 AromaticContact CZ-CG 3.74Å; L53-F188 HydrophobicContact CD2-CB 4.21Å; L53-F188 HydrophobicContact CD2-CD1 3.92Å; L53-F188 HydrophobicContact CD2-CG 4.43Å; L55-F188 HydrophobicContact CD2-CD1 3.88Å; L55-F188 HydrophobicContact CD2-CE1 3.59Å; L98-F188 HydrophobicContact CD1-CD1 4.44Å; L98-F188 HydrophobicContact CD1-CE1 3.94Å; L98-F188 HydrophobicContact CD1-CZ 4.49Å; L184-F188 HydrophobicContact CD1-CE2 3.87Å; L184-F188 HydrophobicContact CG-CE2 4.4Å; L184-F188 VanDerWaalsContact O-CD2 3.29Å; L184-F188 WeakPolarHBondContact O-CD2 3.47Å; K185-F188 PolarHBondContact O-N 2.79Å; T186-F188 PolarHBondContact O-N 3.19Å; F188-A191 PolarHBondContact O-N 2.83Å; F188-I192 VanDerWaalsContact O-CG1 3.32Å; F188-I192 WeakPolarHBondContact O-CG1 3.2Å; F188-I192 PolarHBondContact O-N 3.45Å
189D97.6Very high93.6Very high20 Ų2051.2 Ų51.211%0.10728%0.275CS..Hα-helixtrans-59.5-46.9172.7-74.3-5000111.1K185 I192 R193K185-D189 IonicContact NZ-OD1 3.79Å; K185-D189 PolarHBondContact NZ-OD1 2.88Å; K185-D189 IonicContact NZ-OD2 2.8Å; K185-D189 PolarHBondContact NZ-OD2 2.88Å; K185-D189 PolarHBondContact O-N 2.99Å; D189-I192 PolarHBondContact O-N 2.84Å; D189-R193 WeakPolarHBondContact O-CG 3.38Å; D189-R193 PolarHBondContact O-N 3.12Å; D189-R193 IonicContact OD2-NH2 2.66Å
190E98.1Very high92Very high42 Ų4252.6 Ų52.620%0.19629%0.289CS..Hα-helixtrans-69.5-33.9179-65.7-81.4149.100112.1K172 L174 T186 R193 A194K172-E190 WeakPolarHBondContact CD-OE2 3.47Å; K172-E190 WeakPolarHBondContact CE-OE2 3.39Å; K172-E190 IonicContact NZ-OE1 3.5Å; K172-E190 IonicContact NZ-OE2 2.64Å; K172-E190 PolarHBondContact NZ-OE2 2.93Å; L174-E190 HydrophobicContact CD1-CB 3.71Å; L174-E190 HydrophobicContact CD1-CG 3.77Å; L174-E190 HydrophobicContact CD2-CG 4.43Å; T186-E190 HydrophobicContact CG2-CG 4.15Å; T186-E190 WeakPolarHBondContact O-CB 3.41Å; T186-E190 VanDerWaalsContact O-CG 3.25Å; T186-E190 WeakPolarHBondContact O-CG 3.48Å; T186-E190 PolarHBondContact O-N 3.01Å; E190-R193 PolarHBondContact O-N 3.15Å; E190-R193 IonicContact OE1-CZ 3.4Å; E190-R193 IonicContact OE1-NH1 2.69Å; E190-R193 PolarHBondContact OE1-NH1 3.07Å; E190-R193 IonicContact OE2-NH1 3.38Å; E190-A194 WeakPolarHBondContact O-CB 3.36Å; E190-A194 PolarHBondContact O-N 3.03Å
191A97.3Very high90.2Very high0 Ų055 Ų550%030%0.304CS..Hα-helixtrans-63.1-43.5173.200000111.6V96 L98 I130 V187 F188 A194V96-A191 HydrophobicContact CG1-CB 4.16Å; V96-A191 HydrophobicContact CG2-CB 4.15Å; L98-A191 HydrophobicContact CD2-CB 3.95Å; I130-A191 HydrophobicContact CG1-CB 4.21Å; V187-A191 WeakPolarHBondContact O-CB 3.44Å; V187-A191 PolarHBondContact O-N 2.65Å; F188-A191 PolarHBondContact O-N 2.83Å; A191-A194 WeakPolarHBondContact O-CB 3.47Å; A191-A194 PolarHBondContact O-N 3.32Å
192I96.5Very high88.3Confident0 Ų060.8 Ų60.80%033%0.328CS..Hα-helixtrans-63.7-46.7174-71.2166.2000110.4I4 V44 V46 V51 L53 F188 D189 A194 V195 L196I4-I192 HydrophobicContact CD1-CB 4.41Å; I4-I192 HydrophobicContact CD1-CG1 4.39Å; I4-I192 HydrophobicContact CD1-CG2 3.93Å; V44-I192 HydrophobicContact CG2-CD1 3.46Å; V44-I192 VanDerWaalsContact CG2-CD1 3.46Å; V46-I192 HydrophobicContact CB-CB 4.47Å; V46-I192 HydrophobicContact CB-CG2 3.75Å; V46-I192 HydrophobicContact CG1-CB 4.39Å; V46-I192 HydrophobicContact CG1-CG2 3.9Å; V46-I192 HydrophobicContact CG2-CB 4.13Å; V46-I192 HydrophobicContact CG2-CD1 3.61Å; V46-I192 HydrophobicContact CG2-CG1 4.48Å; V46-I192 HydrophobicContact CG2-CG2 3.84Å; V51-I192 HydrophobicContact CG1-CD1 4.2Å; V51-I192 HydrophobicContact CG1-CG1 4.3Å; V51-I192 HydrophobicContact CG1-CG2 4.36Å; V51-I192 HydrophobicContact CG2-CG2 3.96Å; L53-I192 HydrophobicContact CB-CD1 4.43Å; L53-I192 HydrophobicContact CD1-CD1 4.46Å; L53-I192 HydrophobicContact CD1-CG1 4.03Å; L53-I192 HydrophobicContact CD2-CD1 4.07Å; L53-I192 HydrophobicContact CD2-CG1 4.36Å; F188-I192 VanDerWaalsContact O-CG1 3.32Å; F188-I192 WeakPolarHBondContact O-CG1 3.2Å; F188-I192 PolarHBondContact O-N 3.45Å; D189-I192 PolarHBondContact O-N 2.84Å; I192-A194 VanDerWaalsContact C-N 3.28Å; I192-A194 PolarHBondContact O-N 3.26Å; I192-V195 PolarHBondContact O-N 2.92Å; I192-L196 HydrophobicContact CG2-CD1 3.54Å; I192-L196 HydrophobicContact CG2-CG 3.98Å; I192-L196 WeakPolarHBondContact O-CG 3.4Å; I192-L196 PolarHBondContact O-N 2.88Å
193R95.8Very high85.9Confident64 Ų6462.2 Ų62.224%0.24234%0.338CS..Hα-helixtrans-61-35.4178.5-73.6-168.1-140.6100-0.1112.9V46 D47 D189 E190 V195 L196 C197V46-R193 HydrophobicContact CG1-CG 3.76Å; D47-R193 IonicContact OD1-NE 3.25Å; D47-R193 PolarHBondContact OD1-NE 3.39Å; D47-R193 WeakPolarHBondContact OD2-CD 3.48Å; D47-R193 VanDerWaalsContact OD2-CG 3.32Å; D47-R193 WeakPolarHBondContact OD2-CG 3.25Å; D47-R193 IonicContact OD2-NE 3.44Å; D47-R193 PolarHBondContact OD2-NE 3.33Å; D189-R193 WeakPolarHBondContact O-CG 3.38Å; D189-R193 PolarHBondContact O-N 3.12Å; D189-R193 IonicContact OD2-NH2 2.66Å; E190-R193 PolarHBondContact O-N 3.15Å; E190-R193 IonicContact OE1-CZ 3.4Å; E190-R193 IonicContact OE1-NH1 2.69Å; E190-R193 PolarHBondContact OE1-NH1 3.07Å; E190-R193 IonicContact OE2-NH1 3.38Å; R193-V195 PolarHBondContact O-N 3.07Å; R193-L196 PolarHBondContact O-N 3.12Å; R193-C197 PolarHBondContact O-N 3Å
194A94.4Very high83.9Confident10 Ų1072.5 Ų72.58%0.08337%0.369CS..Hα-helixtrans-59.8-27.6176.400000113.1P128 I130 V171 E190 A191 I192P128-A194 HydrophobicContact CB-CB 4.1Å; P128-A194 HydrophobicContact CG-CB 4.35Å; I130-A194 HydrophobicContact CD1-CB 4.39Å; V171-A194 HydrophobicContact CG2-CB 3.83Å; E190-A194 WeakPolarHBondContact O-CB 3.36Å; E190-A194 PolarHBondContact O-N 3.03Å; A191-A194 WeakPolarHBondContact O-CB 3.47Å; A191-A194 PolarHBondContact O-N 3.32Å; I192-A194 VanDerWaalsContact C-N 3.28Å; I192-A194 PolarHBondContact O-N 3.26Å
195V92.4Very high81.6Confident29 Ų2981.6 Ų81.618%0.17641%0.408CS..Hα-helixtrans-89.1-43.7176.8-178.70000111.4I4 D95 V96 I192 R193 C197I4-V195 HydrophobicContact CD1-CB 4.01Å; I4-V195 HydrophobicContact CD1-CG1 4.03Å; I4-V195 HydrophobicContact CG1-CG1 4.19Å; I4-V195 HydrophobicContact CG2-CB 4.48Å; I4-V195 HydrophobicContact CG2-CG2 4.02Å; D95-V195 HydrophobicContact CB-CG1 4.01Å; D95-V195 HydrophobicContact CB-CG2 3.84Å; D95-V195 WeakPolarHBondContact O-CG2 3.24Å; V96-V195 HydrophobicContact CB-CG2 3.81Å; V96-V195 HydrophobicContact CG1-CG2 4.09Å; I192-V195 PolarHBondContact O-N 2.92Å; R193-V195 PolarHBondContact O-N 3.07Å; V195-C197 VanDerWaalsContact C-N 3.35Å
196L89.5Confident79.7Confident23 Ų2387.4 Ų87.412%0.1243%0.427CS..Hα-helixtrans-70.9-30.4-177.7-64.1-177.5000113.3Q2 I4 K49 V51 I192 R193Q2-L196 VanDerWaalsContact CD-CD2 3.5Å; I4-L196 HydrophobicContact CD1-CD2 4.11Å; I4-L196 HydrophobicContact CD1-CG 4.26Å; K49-L196 HydrophobicContact CB-CD1 4.4Å; K49-L196 HydrophobicContact CD-CD1 4.07Å; V51-L196 HydrophobicContact CG2-CD1 4.13Å; I192-L196 HydrophobicContact CG2-CD1 3.54Å; I192-L196 HydrophobicContact CG2-CG 3.98Å; I192-L196 WeakPolarHBondContact O-CG 3.4Å; I192-L196 PolarHBondContact O-N 2.88Å; R193-L196 PolarHBondContact O-N 3.12Å
197C85.8Confident77.6Confident79 Ų7993.9 Ų93.953%0.53445%0.449SS..SBendtrans-133.868.9-175.3-63.60000109.5R193 V195R193-C197 PolarHBondContact O-N 3Å; V195-C197 VanDerWaalsContact C-N 3.35Å
198P75.3Confident75.4Confident93 Ų9399 Ų9960%0.60448%0.484SS*.PPolyproline II helixtrans-63136.8-173.924.7-32.7000110.9
199P65.9Low73.8Confident72 Ų72106.3 Ų106.347%0.46852%0.523SS..PPolyproline II helixtrans-62.4147.9177.123.9-31.3000110.7V171 V201V171-P199 HydrophobicContact CG1-CG 4.02Å; P199-V201 PolarHBondContact O-N 3.48Å
200P62.7Low71.8Confident125 Ų125113 Ų11381%0.81256%0.558SS**PPolyproline II helixtrans-58.7123.8-179.321.1-30.9000110.8K202P200-K202 PolarHBondContact O-N 3.21Å; P200-K202 VanDerWaalsContact O-N 3.17Å
201V59.6Low69.7Low133 Ų133122.2 Ų122.281%0.80661%0.607SS**PPolyproline II helixtrans-63.4116.6-179.5-175.10000109.3P199 K203P199-V201 PolarHBondContact O-N 3.48Å; V201-K203 PolarHBondContact O-N 2.87Å
202K56.5Low68.3Low203 Ų203128.4 Ų128.488%0.88364%0.637SS**  trans-65.598.8170.9-73.9-175.9179.9177.50108.8P200 R204P200-K202 PolarHBondContact O-N 3.21Å; P200-K202 VanDerWaalsContact O-N 3.17Å; K202-R204 PolarHBondContact O-N 2.89Å; K202-R204 VanDerWaalsContact O-N 3.16Å
203K48.7Very low66.8Low196 Ų196135.1 Ų135.185%0.85267%0.671SS**  trans-57.6120173.4-73.2-174.9179.21790109.1V201 K205V201-K203 PolarHBondContact O-N 2.87Å; K203-K205 PolarHBondContact O-N 2.87Å; K203-K205 VanDerWaalsContact O-N 3.08Å
204R55.9Low65.2Low242 Ų242139.1 Ų139.191%0.91370%0.695SS**  trans-62.4111.1173-164.9174168.1-174.6-3.7107.5K202 R206K202-R204 PolarHBondContact O-N 2.89Å; K202-R204 VanDerWaalsContact O-N 3.16Å; R204-R206 PolarHBondContact O-N 2.9Å
205K50.4Low63.5Low198 Ų198146.6 Ų146.686%0.86173%0.731SS**  trans-57.5112.9173.1-72.3-172.9178.6-176.50107.2K203 K207K203-K205 PolarHBondContact O-N 2.87Å; K203-K205 VanDerWaalsContact O-N 3.08Å; K205-K207 PolarHBondContact O-N 2.97Å; K205-K207 VanDerWaalsContact O-N 3.13Å
206R57.5Low61.6Low241 Ų241154 Ų15491%0.90977%0.765SS**  trans-60.7117168-72.1-175.5176.1-176.3-1.5105.9R204 C208R204-R206 PolarHBondContact O-N 2.9Å; R206-C208 PolarHBondContact O-N 2.82Å
207K52.3Low59.8Low201 Ų201162.7 Ų162.787%0.87481%0.808SS**  trans-64107.3167.1-71.9-173.3177.2-175.40105.5K205 L209K205-K207 PolarHBondContact O-N 2.97Å; K205-K207 VanDerWaalsContact O-N 3.13Å; K207-L209 PolarHBondContact O-N 3.5Å; K207-L209 VanDerWaalsContact O-N 3.12Å
208C53Low57.9Low108 Ų108168.7 Ų168.773%0.7383%0.828SS**  trans-67.6106.4169.7-164.30000105.9R206 L210R206-C208 PolarHBondContact O-N 2.82Å; C208-L210 PolarHBondContact O-N 3.37Å
209L64.3Low56.6Low154 Ų154174.5 Ų174.581%0.80685%0.845SS**  trans-76.9101.2162.7-85.1149.2000105.1K207 L211K207-L209 PolarHBondContact O-N 3.5Å; K207-L209 VanDerWaalsContact O-N 3.12Å; L209-L211 PolarHBondContact O-N 3.27Å
210L55.5Low55.8Low161 Ų161183.1 Ų183.184%0.84388%0.877SS**  trans-70.5108.6160.4-71.2165.4000105.4C208C208-L210 PolarHBondContact O-N 3.37Å
211L53.4Low55.2Low235 Ų235188.4 Ų188.4100%1.2388%0.883SS**  trans-84.60164.7-80.1165000108.7L209L209-L211 PolarHBondContact O-N 3.27Å

Retrieved 211 of 211 residues in 50.7 ms (Link to these results)

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