A0A077YYU7_TRITR Loading...

Small ribosomal subunit protein bS16m

AlphaFold DB , UniProt , Accession A0A077YYU7, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 129 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
1M73.8Confident91.1Very high219 Ų21970.8 Ų70.8100%1.07932%0.318SS*.  0127.90-174.3171.9173.500107.3K3M1-K3 PolarHBondContact O-N 3.28Å
2Y83.3Confident91.2Very high129 Ų12969.8 Ų69.851%0.50634%0.341SS..  trans-61.4133.3-178.9-58.8-74.5000110.9V26 D68 H70Y2-V26 VanDerWaalsContact O-CG2 3.27Å; Y2-V26 WeakPolarHBondContact O-CG2 3.44Å; Y2-D68 WeakPolarHBondContact CD1-O 3.04Å; Y2-D68 VanDerWaalsContact CE1-O 3.28Å; Y2-D68 WeakPolarHBondContact CE1-O 3.27Å; Y2-H70 HydrophobicContact CD1-CB 4.46Å; Y2-H70 HydrophobicContact CD2-CB 3.57Å; Y2-H70 HydrophobicContact CE2-CB 4.14Å; Y2-H70 HydrophobicContact CG-CB 3.74Å
3K88.6Confident91.5Very high157 Ų15771.7 Ų71.768%0.68336%0.364SS*.SBendtrans-74.6-41.7175.8-174.2-178.9173.9-1710111M1 V26M1-K3 PolarHBondContact O-N 3.28Å; K3-V26 PolarHBondContact O-N 2.74Å; K3-V26 VanDerWaalsContact O-N 3.15Å
4H94.4Very high91.9Very high24 Ų2478.6 Ų78.611%0.11140%0.395CS..EExtended strand (participates in β ladder)trans-118.6154-176.3-59-59.4000111.5V23 S24 N25 W64 I69 H70H4-V23 HydrophobicContact CB-CG1 3.91Å; H4-S24 CarbonylContact C-O 3.33Å; H4-S24 VanDerWaalsContact CA-O 3.31Å; H4-S24 WeakPolarHBondContact CA-O 3.45Å; H4-N25 PolarHBondContact CE1-OD1 2.81Å; H4-N25 PolarHBondContact ND1-OD1 3.03Å; H4-N25 VanDerWaalsContact ND1-OD1 3.09Å; H4-W64 AromaticContact CD2-CZ3 3.86Å; H4-I69 HydrophobicContact CB-CB 4.46Å; H4-I69 HydrophobicContact CB-CG2 3.92Å; H4-H70 PolarHBondContact O-N 2.99Å
5A94.6Very high92.2Very high9 Ų983 Ų837%0.07442%0.42CS..EExtended strand (participates in β ladder)trans-135.8137.4171.300000111.9V23 S24 V26 H70A5-V23 WeakPolarHBondContact O-CA 3.37Å; A5-S24 PolarHBondContact N-O 3.26Å; A5-S24 PolarHBondContact O-N 3.19Å; A5-S24 PolarHBondContact O-OG 3.1Å; A5-V26 HydrophobicContact CB-CG2 3.79Å; A5-H70 CarbonylContact C-O 3.54Å; A5-H70 WeakPolarHBondContact CA-O 3.3Å; A5-H70 HydrophobicContact CB-CB 4.07Å; A5-H70 WeakPolarHBondContact CB-O 3.39Å
6L95.9Very high92.4Very high1 Ų184.9 Ų84.91%0.00542%0.42CS..EExtended strand (participates in β ladder)trans-85.2112.4168.4-172.967.4000109.1I21 V22 V23 V39 V61 I69 H70 I71 S72 V75 L79L6-I21 HydrophobicContact CD1-CG2 4.17Å; L6-V22 WeakPolarHBondContact CA-O 3.36Å; L6-V23 HydrophobicContact CD1-CG2 3.76Å; L6-V39 HydrophobicContact CD1-CG2 3.58Å; L6-V61 HydrophobicContact CD2-CG1 4.47Å; L6-I69 HydrophobicContact CB-CD1 3.67Å; L6-H70 PolarHBondContact N-O 2.87Å; L6-I71 HydrophobicContact CB-CG1 4.46Å; L6-I71 HydrophobicContact CB-CG2 4.35Å; L6-I71 HydrophobicContact CD2-CG2 4.27Å; L6-S72 PolarHBondContact O-N 2.91Å; L6-S72 PolarHBondContact O-OG 2.66Å; L6-V75 HydrophobicContact CD2-CG1 3.65Å; L6-V75 HydrophobicContact CG-CG1 3.9Å; L6-L79 HydrophobicContact CD2-CD1 4.11Å
7T95Very high92.7Very high9 Ų981.7 Ų81.76%0.05541%0.407CS..EExtended strand (participates in β ladder)trans-143.2168.5-171.6-159.40000112.5V22 S24T7-V22 HydrophobicContact CG2-CG2 4.15Å; T7-V22 PolarHBondContact N-O 2.91Å; T7-V22 PolarHBondContact O-N 2.75Å; T7-S24 WeakPolarHBondContact CG2-OG 3.31Å
8L94.8Very high92.9Very high26 Ų2681.1 Ų81.114%0.13640%0.402CS..EExtended strand (participates in β ladder)trans-95.4127.9171.2-60.2179.6000109.2F19 L20 I21 A74 V75L8-F19 HydrophobicContact CB-CD1 4.13Å; L8-F19 HydrophobicContact CD2-CB 4.46Å; L8-L20 WeakPolarHBondContact CA-O 3.27Å; L8-I21 HydrophobicContact CD2-CB 4.3Å; L8-I21 HydrophobicContact CD2-CG1 3.65Å; L8-I21 HydrophobicContact CD2-CG2 4.45Å; L8-A74 HydrophobicContact CD1-CB 3.82Å; L8-V75 HydrophobicContact CD2-CG2 3.8Å; L8-V75 HydrophobicContact CG-CG2 3.74Å
9I93.9Very high93.1Very high7 Ų779.3 Ų79.34%0.03639%0.392CS..EExtended strand (participates in β ladder)trans-101.7125.6166.1-68.7-175.4000108.2T11 F19 L20 V22 L32 I35I9-T11 HydrophobicContact CG2-CG2 4.16Å; I9-F19 WeakPolarHBondContact O-CA 3.24Å; I9-L20 PolarHBondContact N-O 3.48Å; I9-L20 PolarHBondContact O-N 3.25Å; I9-V22 HydrophobicContact CB-CG2 4.35Å; I9-V22 HydrophobicContact CD1-CG2 3.59Å; I9-V22 HydrophobicContact CG1-CG2 3.62Å; I9-L32 HydrophobicContact CG2-CD1 3.82Å; I9-L32 HydrophobicContact CG2-CG 4.24Å; I9-I35 HydrophobicContact CD1-CD1 3.83Å; I9-I35 HydrophobicContact CD1-CG1 3.57Å
10R94.2Very high93.3Very high170 Ų17076.6 Ų76.664%0.64238%0.378SS*.EExtended strand (participates in β ladder)trans-74.3128.5173.2-177.1178.6163.7-175.3-4.6109.2F19R10-F19 HydrophobicContact CB-CD1 4.05Å; R10-F19 HydrophobicContact CB-CE1 3.72Å; R10-F19 HydrophobicContact CG-CE1 4Å; R10-F19 HydrophobicContact CG-CZ 4.47Å
11T93.5Very high93.5Very high28 Ų2872.9 Ų72.917%0.17236%0.36CS..EExtended strand (participates in β ladder)trans-132.1-174.6173.763.20000108.6I9 F18 L20 L32I9-T11 HydrophobicContact CG2-CG2 4.16Å; T11-F18 CarbonylContact C-O 3.42Å; T11-F18 WeakPolarHBondContact CA-O 3.38Å; T11-F18 PolarHBondContact N-O 3.45Å; T11-F18 PolarHBondContact O-N 3.18Å; T11-F18 VanDerWaalsContact OG1-CD1 3.27Å; T11-F18 WeakPolarHBondContact OG1-CD1 3.28Å; T11-F18 PolarHBondContact OG1-O 3.13Å; T11-L20 HydrophobicContact CG2-CD1 3.91Å; T11-L20 HydrophobicContact CG2-CG 3.94Å; T11-L32 HydrophobicContact CG2-CD2 4.46Å
12G92.8Very high94.5Very high58 Ų5862.5 Ų62.560%0.59831%0.309SS*.EExtended strand (participates in β ladder)trans92.8-173.2-179.600000113.8
13C95.4Very high95.2Very high95 Ų9556.3 Ų56.364%0.64229%0.285SS*.EExtended strand (participates in β ladder)trans-95.1172.1-175-62.90000111.6N15 R16C13-N15 PolarHBondContact O-N 2.81Å; C13-R16 HydrophobicContact CB-CB 4.41Å; C13-R16 PolarHBondContact N-O 3.09Å; C13-R16 CarbonylContact O-C 3.48Å; C13-R16 PolarHBondContact O-N 3.24Å; C13-R16 VanDerWaalsContact O-N 3.12Å
14Q96.3Very high95.5Very high169 Ų16949.3 Ų49.379%0.7926%0.256SS*.THydrogen-bonded Turntrans-55135167.3-173173.7-7.100109.6R16Q14-R16 PolarHBondContact O-N 2.83Å
15N96Very high95.4Very high144 Ų14450.8 Ų50.877%0.7726%0.264SS*.THydrogen-bonded Turntrans60.34.5-176.7-53.9-28.4000116.3C13C13-N15 PolarHBondContact O-N 2.81Å
16R96.8Very high95.1Very high113 Ų11353 Ų5343%0.42628%0.277SS..EExtended strand (participates in β ladder)trans-129.676.3172.6-175.164.4174.8118.7-2.7109.8C13 Q14 D43C13-R16 HydrophobicContact CB-CB 4.41Å; C13-R16 PolarHBondContact N-O 3.09Å; C13-R16 CarbonylContact O-C 3.48Å; C13-R16 PolarHBondContact O-N 3.24Å; C13-R16 VanDerWaalsContact O-N 3.12Å; Q14-R16 PolarHBondContact O-N 2.83Å; R16-D43 IonicContact CZ-OD1 3.77Å; R16-D43 IonicContact CZ-OD2 3.41Å; R16-D43 VanDerWaalsContact NH1-CG 3.34Å; R16-D43 IonicContact NH1-OD1 2.75Å; R16-D43 PolarHBondContact NH1-OD1 2.94Å; R16-D43 IonicContact NH1-OD2 3.11Å; R16-D43 PolarHBondContact NH1-OD2 3.29Å; R16-D43 VanDerWaalsContact NH1-OD2 3.11Å; R16-D43 IonicContact NH2-OD1 3.88Å; R16-D43 IonicContact NH2-OD2 2.77Å; R16-D43 PolarHBondContact NH2-OD2 3.4Å
17P96.4Very high94.6Very high31 Ų3160.4 Ų60.420%0.20131%0.305CS..EExtended strand (participates in β ladder)trans-69.2137.417828.6-32.9000110.8F19 P44P17-F19 HydrophobicContact CB-CE2 4.22Å; P17-F19 HydrophobicContact CB-CZ 4.5Å; P17-P44 HydrophobicContact CB-CG 4.18Å; P17-P44 HydrophobicContact CG-CG 3.8Å; P17-P44 WeakPolarHBondContact O-CD 3.37Å; P17-P44 WeakPolarHBondContact O-CG 3.34Å
18F97.2Very high93.9Very high71 Ų7172.6 Ų72.631%0.31135%0.35SS..EExtended strand (participates in β ladder)trans-134.8137.3170.3179.8-116.9000108.5T11 L20 D43T11-F18 CarbonylContact C-O 3.42Å; T11-F18 WeakPolarHBondContact CA-O 3.38Å; T11-F18 PolarHBondContact N-O 3.45Å; T11-F18 PolarHBondContact O-N 3.18Å; T11-F18 VanDerWaalsContact OG1-CD1 3.27Å; T11-F18 WeakPolarHBondContact OG1-CD1 3.28Å; T11-F18 PolarHBondContact OG1-O 3.13Å; F18-L20 HydrophobicContact CD1-CD2 4.21Å; F18-L20 HydrophobicContact CE1-CD2 3.53Å; F18-L20 HydrophobicContact CZ-CD2 4.26Å; F18-D43 HydrophobicContact CD2-CB 4.32Å; F18-D43 HydrophobicContact CE2-CB 4.44Å
19F96.9Very high93.2Very high46 Ų4681.2 Ų81.220%0.20238%0.38CS..EExtended strand (participates in β ladder)trans-114.6133.3-176.6-64.7-84000111.1L8 I9 R10 P17 S41 F42 P44L8-F19 HydrophobicContact CB-CD1 4.13Å; L8-F19 HydrophobicContact CD2-CB 4.46Å; I9-F19 WeakPolarHBondContact O-CA 3.24Å; R10-F19 HydrophobicContact CB-CD1 4.05Å; R10-F19 HydrophobicContact CB-CE1 3.72Å; R10-F19 HydrophobicContact CG-CE1 4Å; R10-F19 HydrophobicContact CG-CZ 4.47Å; P17-F19 HydrophobicContact CB-CE2 4.22Å; P17-F19 HydrophobicContact CB-CZ 4.5Å; F19-S41 CarbonylContact O-C 3.44Å; F19-S41 WeakPolarHBondContact O-CA 3.49Å; F19-F42 HydrophobicContact CB-CB 4.18Å; F19-F42 HydrophobicContact CB-CD1 4.08Å; F19-F42 AromaticContact CD2-CD1 3.8Å; F19-F42 HydrophobicContact CD2-CD1 3.8Å; F19-F42 HydrophobicContact CD2-CE1 4.14Å; F19-F42 HydrophobicContact CG-CD1 4.23Å; F19-F42 PolarHBondContact N-O 3.45Å; F19-F42 PolarHBondContact O-N 3.46Å; F19-P44 HydrophobicContact CD2-CB 4.5Å; F19-P44 HydrophobicContact CD2-CG 4.05Å; F19-P44 HydrophobicContact CE2-CB 4.26Å; F19-P44 HydrophobicContact CE2-CG 3.87Å
20L96.4Very high92.5Very high25 Ų2589 Ų8913%0.13141%0.41CS..EExtended strand (participates in β ladder)trans-93.6136.6166-58.5-177.5000108.9L8 I9 T11 F18 V22L8-L20 WeakPolarHBondContact CA-O 3.27Å; I9-L20 PolarHBondContact N-O 3.48Å; I9-L20 PolarHBondContact O-N 3.25Å; T11-L20 HydrophobicContact CG2-CD1 3.91Å; T11-L20 HydrophobicContact CG2-CG 3.94Å; F18-L20 HydrophobicContact CD1-CD2 4.21Å; F18-L20 HydrophobicContact CE1-CD2 3.53Å; F18-L20 HydrophobicContact CZ-CD2 4.26Å; L20-V22 HydrophobicContact CB-CG1 3.76Å
21I96.6Very high91.8Very high0 Ų088.5 Ų88.50%041%0.408CS..EExtended strand (participates in β ladder)trans-94.9113.5173.2-48.7176.4000106.1L6 L8 V39 G40 F42 V54 L56 V75 L78L6-I21 HydrophobicContact CD1-CG2 4.17Å; L8-I21 HydrophobicContact CD2-CB 4.3Å; L8-I21 HydrophobicContact CD2-CG1 3.65Å; L8-I21 HydrophobicContact CD2-CG2 4.45Å; I21-V39 HydrophobicContact CB-CG2 4.23Å; I21-V39 HydrophobicContact CG2-CG2 3.73Å; I21-V39 WeakPolarHBondContact O-CG2 3.27Å; I21-V39 PolarHBondContact O-N 2.73Å; I21-G40 PolarHBondContact N-O 3.47Å; I21-G40 PolarHBondContact O-N 2.82Å; I21-G40 VanDerWaalsContact O-N 3.12Å; I21-F42 HydrophobicContact CD1-CB 4.42Å; I21-F42 HydrophobicContact CG1-CB 4.5Å; I21-V54 HydrophobicContact CD1-CG1 4.24Å; I21-L56 HydrophobicContact CD1-CD2 3.43Å; I21-L56 VanDerWaalsContact CD1-CD2 3.43Å; I21-L56 HydrophobicContact CD1-CG 4.1Å; I21-L56 HydrophobicContact CG2-CD2 4.24Å; I21-V75 HydrophobicContact CG2-CG1 4.49Å; I21-L78 HydrophobicContact CD1-CD2 3.53Å; I21-L78 HydrophobicContact CG1-CD2 4.48Å
22V96.6Very high91.3Very high0 Ų091.6 Ų91.60%042%0.423CS..EExtended strand (participates in β ladder)trans-136.1149.8-167.7-57.90000111.7L6 T7 I9 L20 I35 E37 Q38L6-V22 WeakPolarHBondContact CA-O 3.36Å; T7-V22 HydrophobicContact CG2-CG2 4.15Å; T7-V22 PolarHBondContact N-O 2.91Å; T7-V22 PolarHBondContact O-N 2.75Å; I9-V22 HydrophobicContact CB-CG2 4.35Å; I9-V22 HydrophobicContact CD1-CG2 3.59Å; I9-V22 HydrophobicContact CG1-CG2 3.62Å; L20-V22 HydrophobicContact CB-CG1 3.76Å; V22-I35 HydrophobicContact CB-CG1 4.33Å; V22-I35 HydrophobicContact CB-CG2 4.1Å; V22-I35 HydrophobicContact CG1-CD1 4.14Å; V22-I35 HydrophobicContact CG1-CG1 4.25Å; V22-I35 HydrophobicContact CG1-CG2 4.12Å; V22-I35 HydrophobicContact CG2-CG1 4.3Å; V22-E37 CarbonylContact C-O 3.57Å; V22-E37 WeakPolarHBondContact CA-O 3.18Å; V22-Q38 HydrophobicContact CG1-CB 4.25Å; V22-Q38 HydrophobicContact CG1-CG 4.3Å
23V96.4Very high90.7Very high0 Ų091.2 Ų91.20%042%0.418CS..EExtended strand (participates in β ladder)trans-90.9123.2161-179.30000107.4H4 A5 L6 V36 E37 V39 W64 I69H4-V23 HydrophobicContact CB-CG1 3.91Å; A5-V23 WeakPolarHBondContact O-CA 3.37Å; L6-V23 HydrophobicContact CD1-CG2 3.76Å; V23-V36 HydrophobicContact CG1-CB 4.47Å; V23-V36 PolarHBondContact O-N 2.91Å; V23-E37 PolarHBondContact N-O 2.89Å; V23-E37 PolarHBondContact O-N 2.91Å; V23-V39 HydrophobicContact CG2-CG1 4.07Å; V23-W64 HydrophobicContact CB-CD2 4.38Å; V23-W64 HydrophobicContact CB-CZ2 4.49Å; V23-W64 HydrophobicContact CG1-CD2 3.94Å; V23-W64 HydrophobicContact CG1-CE3 3.98Å; V23-W64 HydrophobicContact CG1-CH2 4.13Å; V23-W64 HydrophobicContact CG1-CZ2 4.09Å; V23-W64 HydrophobicContact CG1-CZ3 4.08Å; V23-W64 HydrophobicContact CG2-CB 4.3Å; V23-W64 HydrophobicContact CG2-CD2 3.9Å; V23-W64 HydrophobicContact CG2-CG 3.7Å; V23-I69 HydrophobicContact CG2-CD1 4.38Å
24S94.9Very high90.3Very high9 Ų987.7 Ų87.76%0.06339%0.393CS..EExtended strand (participates in β ladder)trans-132.8160.7-177.360.20000111H4 A5 T7 D34H4-S24 CarbonylContact C-O 3.33Å; H4-S24 VanDerWaalsContact CA-O 3.31Å; H4-S24 WeakPolarHBondContact CA-O 3.45Å; A5-S24 PolarHBondContact N-O 3.26Å; A5-S24 PolarHBondContact O-N 3.19Å; A5-S24 PolarHBondContact O-OG 3.1Å; T7-S24 WeakPolarHBondContact CG2-OG 3.31Å; S24-D34 VanDerWaalsContact CA-O 3.28Å; S24-D34 WeakPolarHBondContact CA-O 3.37Å; S24-D34 WeakPolarHBondContact CB-O 3.46Å
25N92.5Very high90.2Very high55 Ų5582.1 Ų82.129%0.29437%0.369SS..EExtended strand (participates in β ladder)trans-69.5139.1171.5-66.4-44.8000110.8H4 R27 D34H4-N25 PolarHBondContact CE1-OD1 2.81Å; H4-N25 PolarHBondContact ND1-OD1 3.03Å; H4-N25 VanDerWaalsContact ND1-OD1 3.09Å; N25-R27 PolarHBondContact O-N 2.95Å; N25-R27 VanDerWaalsContact O-N 3.1Å; N25-D34 PolarHBondContact N-O 3.12Å
26V88.6Confident90.1Very high57 Ų5778.5 Ų78.535%0.34535%0.351SS..  trans-69110.1-178.9-178.40000110.5Y2 K3 A5Y2-V26 VanDerWaalsContact O-CG2 3.27Å; Y2-V26 WeakPolarHBondContact O-CG2 3.44Å; K3-V26 PolarHBondContact O-N 2.74Å; K3-V26 VanDerWaalsContact O-N 3.15Å; A5-V26 HydrophobicContact CB-CG2 3.79Å
27R84.6Confident90.1Very high155 Ų15575.2 Ų75.259%0.58534%0.341SS*.  trans-141161.5179.2-72.8176.5171.3-171.64.7111.4N25 D34N25-R27 PolarHBondContact O-N 2.95Å; N25-R27 VanDerWaalsContact O-N 3.1Å; R27-D34 WeakPolarHBondContact CD-OD2 3.45Å; R27-D34 IonicContact CZ-OD1 3.37Å; R27-D34 IonicContact CZ-OD2 3.64Å; R27-D34 IonicContact NE-OD2 3.72Å; R27-D34 IonicContact NH1-OD1 2.66Å; R27-D34 PolarHBondContact NH1-OD1 2.92Å; R27-D34 IonicContact NH1-OD2 2.91Å; R27-D34 PolarHBondContact NH1-OD2 2.92Å; R27-D34 IonicContact NH2-OD1 3.99Å
28R81Confident90.1Very high266 Ų26678.9 Ų78.9100%1.00436%0.355SS*.SBendtrans-66.5-38.4176.9-65.6-170-1681361.4112.5
29R79.6Confident90.1Very high206 Ų20675.7 Ų75.778%0.77734%0.342SS*.SBendtrans-103.5118.8178-170.3176.2-175.3172.70.6109.3
30R80Confident90.1Very high172 Ų17273.9 Ų73.965%0.64934%0.336SS*.  trans-76.7121.5169.5-71.4-177-72.3-114.7-2.7108.7
31W79.6Confident90.2Very high158 Ų15874.1 Ų74.160%0.59834%0.339SS*.  trans-140.8154178.6-176.955.1000110G33 D34W31-G33 PolarHBondContact O-N 2.98Å; W31-D34 PolarHBondContact O-N 3.46Å
32L82.1Confident90.2Very high94 Ų9476 Ų7649%0.49235%0.348SS..G310 helixtrans-63.7-28-175.4-82.576.9000112.7I9 T11 D34 I35I9-L32 HydrophobicContact CG2-CD1 3.82Å; I9-L32 HydrophobicContact CG2-CG 4.24Å; T11-L32 HydrophobicContact CG2-CD2 4.46Å; L32-D34 PolarHBondContact O-N 3.15Å; L32-I35 HydrophobicContact CB-CD1 4.33Å; L32-I35 HydrophobicContact CG-CD1 4.41Å; L32-I35 VanDerWaalsContact O-CD1 3.27Å; L32-I35 WeakPolarHBondContact O-CD1 3.48Å; L32-I35 VanDerWaalsContact O-CG1 3.24Å; L32-I35 WeakPolarHBondContact O-CG1 3.06Å; L32-I35 PolarHBondContact O-N 2.81Å
33G81.5Confident90.3Very high49 Ų4977.1 Ų77.151%0.50535%0.354SS..G310 helixtrans-72-8.9179.800000115.3W31W31-G33 PolarHBondContact O-N 2.98Å
34D87.5Confident90.3Very high21 Ų2178.1 Ų78.111%0.11236%0.361CS..G310 helixtrans-100.48.9-178.6-67.8-25.9000113.3S24 N25 R27 W31 L32 V36S24-D34 VanDerWaalsContact CA-O 3.28Å; S24-D34 WeakPolarHBondContact CA-O 3.37Å; S24-D34 WeakPolarHBondContact CB-O 3.46Å; N25-D34 PolarHBondContact N-O 3.12Å; R27-D34 WeakPolarHBondContact CD-OD2 3.45Å; R27-D34 IonicContact CZ-OD1 3.37Å; R27-D34 IonicContact CZ-OD2 3.64Å; R27-D34 IonicContact NE-OD2 3.72Å; R27-D34 IonicContact NH1-OD1 2.66Å; R27-D34 PolarHBondContact NH1-OD1 2.92Å; R27-D34 IonicContact NH1-OD2 2.91Å; R27-D34 PolarHBondContact NH1-OD2 2.92Å; R27-D34 IonicContact NH2-OD1 3.99Å; W31-D34 PolarHBondContact O-N 3.46Å; L32-D34 PolarHBondContact O-N 3.15Å; D34-V36 PolarHBondContact O-N 2.9Å
35I93Very high90.4Very high53 Ų5380.9 Ų80.927%0.27237%0.374SS..EExtended strand (participates in β ladder)trans-73122.1177.8-62168.5000108.6I9 V22 L32I9-I35 HydrophobicContact CD1-CD1 3.83Å; I9-I35 HydrophobicContact CD1-CG1 3.57Å; V22-I35 HydrophobicContact CB-CG1 4.33Å; V22-I35 HydrophobicContact CB-CG2 4.1Å; V22-I35 HydrophobicContact CG1-CD1 4.14Å; V22-I35 HydrophobicContact CG1-CG1 4.25Å; V22-I35 HydrophobicContact CG1-CG2 4.12Å; V22-I35 HydrophobicContact CG2-CG1 4.3Å; L32-I35 HydrophobicContact CB-CD1 4.33Å; L32-I35 HydrophobicContact CG-CD1 4.41Å; L32-I35 VanDerWaalsContact O-CD1 3.27Å; L32-I35 WeakPolarHBondContact O-CD1 3.48Å; L32-I35 VanDerWaalsContact O-CG1 3.24Å; L32-I35 WeakPolarHBondContact O-CG1 3.06Å; L32-I35 PolarHBondContact O-N 2.81Å
36V94.6Very high90.6Very high67 Ų6781.5 Ų81.541%0.40638%0.381SS..EExtended strand (participates in β ladder)trans-82.8-46.9169.7179.80000109.2V23 D34 W64V23-V36 HydrophobicContact CG1-CB 4.47Å; V23-V36 PolarHBondContact O-N 2.91Å; D34-V36 PolarHBondContact O-N 2.9Å; V36-W64 HydrophobicContact CG1-CH2 4.09Å; V36-W64 HydrophobicContact CG1-CZ2 4.15Å
37E95.7Very high91Very high45 Ų4581.2 Ų81.221%0.2138%0.378CS..EExtended strand (participates in β ladder)trans-152.5140.5-177.5-170.2-179.7151.400110.5V22 V23 V39 R60 W64V22-E37 CarbonylContact C-O 3.57Å; V22-E37 WeakPolarHBondContact CA-O 3.18Å; V23-E37 PolarHBondContact N-O 2.89Å; V23-E37 PolarHBondContact O-N 2.91Å; E37-V39 HydrophobicContact CG-CG1 4.34Å; E37-R60 WeakPolarHBondContact OE1-CB 3.41Å; E37-R60 WeakPolarHBondContact OE1-CG 3.47Å; E37-R60 IonicContact OE1-CZ 3.6Å; E37-R60 IonicContact OE1-NE 2.75Å; E37-R60 PolarHBondContact OE1-NE 3.43Å; E37-R60 IonicContact OE1-NH2 3.58Å; E37-R60 IonicContact OE2-CZ 3.52Å; E37-R60 IonicContact OE2-NE 3.47Å; E37-R60 PolarHBondContact OE2-NE 3.14Å; E37-R60 IonicContact OE2-NH2 2.73Å; E37-R60 PolarHBondContact OE2-NH2 3.36Å; E37-W64 HydrophobicContact CB-CZ2 4.5Å; E37-W64 PolarHBondContact OE2-NE1 3.02Å
38Q96.5Very high91.6Very high107 Ų10783.4 Ų83.450%0.539%0.391SS..EExtended strand (participates in β ladder)trans-93.4118.9167.5178.9-176.7-23.300108.9V22 G40V22-Q38 HydrophobicContact CG1-CB 4.25Å; V22-Q38 HydrophobicContact CG1-CG 4.3Å; Q38-G40 PolarHBondContact NE2-O 2.97Å
39V97.3Very high92.3Very high5 Ų578.1 Ų78.13%0.0338%0.376CS..EExtended strand (participates in β ladder)trans-102.9-6.2-179.2-59.50000112.8L6 I21 V23 E37 D57 R60 V61L6-V39 HydrophobicContact CD1-CG2 3.58Å; I21-V39 HydrophobicContact CB-CG2 4.23Å; I21-V39 HydrophobicContact CG2-CG2 3.73Å; I21-V39 WeakPolarHBondContact O-CG2 3.27Å; I21-V39 PolarHBondContact O-N 2.73Å; V23-V39 HydrophobicContact CG2-CG1 4.07Å; E37-V39 HydrophobicContact CG-CG1 4.34Å; V39-D57 PolarHBondContact O-N 3.4Å; V39-R60 HydrophobicContact CG1-CB 4.13Å; V39-V61 HydrophobicContact CB-CG2 4.09Å; V39-V61 HydrophobicContact CG2-CG2 3.96Å
40G97.6Very high93.1Very high8 Ų874.7 Ų74.78%0.08237%0.373CS..EExtended strand (participates in β ladder)trans176.5-171.2-179.200000114.9I21 Q38 A55I21-G40 PolarHBondContact N-O 3.47Å; I21-G40 PolarHBondContact O-N 2.82Å; I21-G40 VanDerWaalsContact O-N 3.12Å; Q38-G40 PolarHBondContact NE2-O 2.97Å; G40-A55 CarbonylContact C-O 3.52Å; G40-A55 WeakPolarHBondContact CA-O 3.39Å
41S97.8Very high93.9Very high29 Ų2971.7 Ų71.720%0.20337%0.367CS..EExtended strand (participates in β ladder)trans-148.8155.4177.358.90000111.6F19 V54 A55F19-S41 CarbonylContact O-C 3.44Å; F19-S41 WeakPolarHBondContact O-CA 3.49Å; S41-V54 WeakPolarHBondContact O-CA 3.27Å; S41-A55 PolarHBondContact N-O 3.38Å; S41-A55 PolarHBondContact O-N 2.99Å
42F97.9Very high94.8Very high40 Ų4070.3 Ų70.318%0.17537%0.365CS..EExtended strand (participates in β ladder)trans-139.9119.9179.7168.1-130.3000110.6F19 I21 P44 V54F19-F42 HydrophobicContact CB-CB 4.18Å; F19-F42 HydrophobicContact CB-CD1 4.08Å; F19-F42 AromaticContact CD2-CD1 3.8Å; F19-F42 HydrophobicContact CD2-CD1 3.8Å; F19-F42 HydrophobicContact CD2-CE1 4.14Å; F19-F42 HydrophobicContact CG-CD1 4.23Å; F19-F42 PolarHBondContact N-O 3.45Å; F19-F42 PolarHBondContact O-N 3.46Å; I21-F42 HydrophobicContact CD1-CB 4.42Å; I21-F42 HydrophobicContact CG1-CB 4.5Å; F42-P44 HydrophobicContact CE1-CB 4.04Å; F42-P44 HydrophobicContact CZ-CB 3.95Å; F42-V54 HydrophobicContact CD2-CG2 3.78Å; F42-V54 HydrophobicContact CE2-CG2 4.28Å
43D97.3Very high95.5Very high23 Ų2370.3 Ų70.312%0.12337%0.365CS..  trans-96.1112.5168.8-166.9-13.7000109.8R16 F18 L45 L53R16-D43 IonicContact CZ-OD1 3.77Å; R16-D43 IonicContact CZ-OD2 3.41Å; R16-D43 VanDerWaalsContact NH1-CG 3.34Å; R16-D43 IonicContact NH1-OD1 2.75Å; R16-D43 PolarHBondContact NH1-OD1 2.94Å; R16-D43 IonicContact NH1-OD2 3.11Å; R16-D43 PolarHBondContact NH1-OD2 3.29Å; R16-D43 VanDerWaalsContact NH1-OD2 3.11Å; R16-D43 IonicContact NH2-OD1 3.88Å; R16-D43 IonicContact NH2-OD2 2.77Å; R16-D43 PolarHBondContact NH2-OD2 3.4Å; F18-D43 HydrophobicContact CD2-CB 4.32Å; F18-D43 HydrophobicContact CE2-CB 4.44Å; D43-L45 VanDerWaalsContact C-N 3.32Å; D43-L45 PolarHBondContact OD1-N 3.01Å; D43-L53 PolarHBondContact N-O 3.4Å
44P96.7Very high96.3Very high22 Ų2271 Ų7114%0.14336%0.359CS..  trans-75.9-18.2-179.332.9-38.5000113.7P17 F19 F42 K52P17-P44 HydrophobicContact CB-CG 4.18Å; P17-P44 HydrophobicContact CG-CG 3.8Å; P17-P44 WeakPolarHBondContact O-CD 3.37Å; P17-P44 WeakPolarHBondContact O-CG 3.34Å; F19-P44 HydrophobicContact CD2-CB 4.5Å; F19-P44 HydrophobicContact CD2-CG 4.05Å; F19-P44 HydrophobicContact CE2-CB 4.26Å; F19-P44 HydrophobicContact CE2-CG 3.87Å; F42-P44 HydrophobicContact CE1-CB 4.04Å; F42-P44 HydrophobicContact CZ-CB 3.95Å; P44-K52 WeakPolarHBondContact O-CD 3.5Å; P44-K52 WeakPolarHBondContact O-CE 3.45Å; P44-K52 PolarHBondContact O-NZ 3.25Å
45L96.8Very high96.7Very high66 Ų6672.5 Ų72.535%0.34637%0.374SS..SBendtrans-90.9142.2-178.9-58-172.4000110.5D43D43-L45 VanDerWaalsContact C-N 3.32Å; D43-L45 PolarHBondContact OD1-N 3.01Å
46P96.9Very high96.9Very high68 Ų6871.3 Ų71.344%0.44237%0.368SS..  trans-65.7140.2175.126.1-31.7000111.2N50 E51P46-N50 WeakPolarHBondContact CB-OD1 3.18Å; P46-E51 WeakPolarHBondContact CA-O 3.34Å
47N96.1Very high97Very high51 Ų5171.7 Ų71.727%0.27337%0.368SS..  trans-76.4-172.816969.37.2000111.2F49 N50 E51N47-F49 PolarHBondContact O-N 3.47Å; N47-F49 VanDerWaalsContact O-N 3.15Å; N47-F49 VanDerWaalsContact OD1-C 3.3Å; N47-F49 VanDerWaalsContact OD1-CA 3.3Å; N47-F49 WeakPolarHBondContact OD1-CA 3.39Å; N47-F49 WeakPolarHBondContact OD1-CB 3.4Å; N47-F49 PolarHBondContact OD1-N 2.96Å; N47-N50 PolarHBondContact O-N 3.26Å; N47-N50 PolarHBondContact OD1-N 2.99Å; N47-N50 VanDerWaalsContact OD1-N 3.1Å; N47-E51 PolarHBondContact N-O 3.35Å; N47-E51 PolarHBondContact OD1-N 3.28Å; N47-E51 PolarHBondContact OD1-O 2.99Å
48K97.4Very high97.1Very high201 Ų20173.6 Ų73.687%0.87438%0.376SS*.THydrogen-bonded Turntrans-57.2-26.6175.4-173.3-179.2177.2-176.70113.4N50K48-N50 VanDerWaalsContact C-N 3.34Å
49F97.3Very high97.1Very high156 Ų15674 Ų7468%0.68438%0.381SS*.THydrogen-bonded Turntrans-938.4179.3-54.1-72.4000112.9N47 E51N47-F49 PolarHBondContact O-N 3.47Å; N47-F49 VanDerWaalsContact O-N 3.15Å; N47-F49 VanDerWaalsContact OD1-C 3.3Å; N47-F49 VanDerWaalsContact OD1-CA 3.3Å; N47-F49 WeakPolarHBondContact OD1-CA 3.39Å; N47-F49 WeakPolarHBondContact OD1-CB 3.4Å; N47-F49 PolarHBondContact OD1-N 2.96Å; F49-E51 VanDerWaalsContact C-N 3.29Å; F49-E51 HydrophobicContact CB-CG 4.31Å; F49-E51 PolarHBondContact O-N 3.12Å
50N96.3Very high97.1Very high134 Ų13477.3 Ų77.372%0.71739%0.393SS*.SBendtrans63.628-177.5-16033.6000114.8P46 N47 K48P46-N50 WeakPolarHBondContact CB-OD1 3.18Å; N47-N50 PolarHBondContact O-N 3.26Å; N47-N50 PolarHBondContact OD1-N 2.99Å; N47-N50 VanDerWaalsContact OD1-N 3.1Å; K48-N50 VanDerWaalsContact C-N 3.34Å
51E96.9Very high97.1Very high109 Ų10977 Ų7751%0.50939%0.389SS..  trans-108.1145.5-179.3-60.9171.5161.100111.1P46 N47 F49P46-E51 WeakPolarHBondContact CA-O 3.34Å; N47-E51 PolarHBondContact N-O 3.35Å; N47-E51 PolarHBondContact OD1-N 3.28Å; N47-E51 PolarHBondContact OD1-O 2.99Å; F49-E51 VanDerWaalsContact C-N 3.29Å; F49-E51 HydrophobicContact CB-CG 4.31Å; F49-E51 PolarHBondContact O-N 3.12Å
52K97.2Very high97Very high128 Ų12882.1 Ų82.156%0.55740%0.404SS*.  trans-99.8121.4172-65.4-175.3-176.2-167.40109.3P44P44-K52 WeakPolarHBondContact O-CD 3.5Å; P44-K52 WeakPolarHBondContact O-CE 3.45Å; P44-K52 PolarHBondContact O-NZ 3.25Å
53L97.2Very high97Very high95 Ų9585.4 Ų85.450%0.49742%0.416SS..  trans-87.7131.4-173.3-58.7-179.1000111D43D43-L53 PolarHBondContact N-O 3.4Å
54V97.5Very high97Very high64 Ų6485.1 Ų85.139%0.38841%0.413SS..EExtended strand (participates in β ladder)trans-131121.4175.1-169.90000107.5I21 S41 F42 L56 L78I21-V54 HydrophobicContact CD1-CG1 4.24Å; S41-V54 WeakPolarHBondContact O-CA 3.27Å; F42-V54 HydrophobicContact CD2-CG2 3.78Å; F42-V54 HydrophobicContact CE2-CG2 4.28Å; V54-L56 HydrophobicContact CG1-CD1 4.08Å; V54-L56 HydrophobicContact CG1-CG 4.02Å; V54-L78 HydrophobicContact CG1-CD1 3.93Å; V54-L78 HydrophobicContact CG1-CD2 3.78Å; V54-L78 HydrophobicContact CG1-CG 4.07Å; V54-L78 HydrophobicContact CG2-CD1 3.8Å
55A97.3Very high96.9Very high51 Ų5186 Ų8642%0.42142%0.417SS..EExtended strand (participates in β ladder)trans-106.4130.7169.700000108.5G40 S41G40-A55 CarbonylContact C-O 3.52Å; G40-A55 WeakPolarHBondContact CA-O 3.39Å; S41-A55 PolarHBondContact N-O 3.38Å; S41-A55 PolarHBondContact O-N 2.99Å
56L97Very high96.8Very high29 Ų2986.9 Ų86.915%0.15243%0.433CS..EExtended strand (participates in β ladder)trans-139.2126.5179.7-78.8170.1000109.3I21 V54 F58 V61 L79I21-L56 HydrophobicContact CD1-CD2 3.43Å; I21-L56 VanDerWaalsContact CD1-CD2 3.43Å; I21-L56 HydrophobicContact CD1-CG 4.1Å; I21-L56 HydrophobicContact CG2-CD2 4.24Å; V54-L56 HydrophobicContact CG1-CD1 4.08Å; V54-L56 HydrophobicContact CG1-CG 4.02Å; L56-F58 HydrophobicContact CB-CE1 4.37Å; L56-F58 HydrophobicContact CB-CZ 4.34Å; L56-F58 HydrophobicContact CD1-CE1 4.39Å; L56-F58 PolarHBondContact O-N 2.75Å; L56-V61 HydrophobicContact CD2-CG2 4.39Å; L56-L79 HydrophobicContact CD1-CD2 3.98Å; L56-L79 HydrophobicContact CD2-CD2 4.37Å
57D97.2Very high96.7Very high74 Ų7487.7 Ų87.740%0.39643%0.431SS..  trans-81.9100.5164.3-173.9-33.9000108.7V39 D59 R60 V61V39-D57 PolarHBondContact O-N 3.4Å; D57-D59 VanDerWaalsContact C-N 3.29Å; D57-D59 PolarHBondContact O-N 2.94Å; D57-D59 PolarHBondContact OD1-N 2.77Å; D57-R60 HydrophobicContact CB-CB 4.19Å; D57-R60 HydrophobicContact CB-CG 4.33Å; D57-R60 VanDerWaalsContact CG-CG 3.47Å; D57-R60 PolarHBondContact OD1-N 3.11Å; D57-R60 VanDerWaalsContact OD2-CG 3.27Å; D57-R60 WeakPolarHBondContact OD2-CG 3.08Å; D57-V61 WeakPolarHBondContact O-CB 3.34Å; D57-V61 WeakPolarHBondContact O-CG2 3.41Å; D57-V61 PolarHBondContact O-N 3.46Å
58F96.7Very high96.4Very high86 Ų8691.5 Ų91.538%0.37745%0.452SS..Hα-helixtrans-65.3-31.4-177.4-69.9-69.5000113L56 R62 L84L56-F58 HydrophobicContact CB-CE1 4.37Å; L56-F58 HydrophobicContact CB-CZ 4.34Å; L56-F58 HydrophobicContact CD1-CE1 4.39Å; L56-F58 PolarHBondContact O-N 2.75Å; F58-R62 WeakPolarHBondContact O-CB 3.28Å; F58-R62 WeakPolarHBondContact O-CD 3.42Å; F58-R62 WeakPolarHBondContact O-CG 3.08Å; F58-R62 PolarHBondContact O-N 2.92Å; F58-L84 HydrophobicContact CD1-CB 4.45Å; F58-L84 HydrophobicContact CD1-CD1 4.3Å; F58-L84 HydrophobicContact CD1-CD2 4.18Å; F58-L84 HydrophobicContact CE1-CB 4.34Å
59D97.3Very high96.3Very high114 Ų11482.8 Ų82.861%0.6141%0.414SS*.Hα-helixtrans-73.2-43.4-177.2-67.9-30.5000110.6D57 R62 Y63D57-D59 VanDerWaalsContact C-N 3.29Å; D57-D59 PolarHBondContact O-N 2.94Å; D57-D59 PolarHBondContact OD1-N 2.77Å; D59-R62 PolarHBondContact O-N 2.77Å; D59-R62 IonicContact OD1-NH1 3.55Å; D59-Y63 WeakPolarHBondContact O-CB 3.48Å; D59-Y63 PolarHBondContact O-N 3.21Å
60R97.3Very high96.2Very high75 Ų7579.5 Ų79.528%0.28340%0.401SS..Hα-helixtrans-67.6-40.9174.3-62.1-55.3-58.5155.60.7111.9E37 V39 D57 R62 Y63 W64E37-R60 WeakPolarHBondContact OE1-CB 3.41Å; E37-R60 WeakPolarHBondContact OE1-CG 3.47Å; E37-R60 IonicContact OE1-CZ 3.6Å; E37-R60 IonicContact OE1-NE 2.75Å; E37-R60 PolarHBondContact OE1-NE 3.43Å; E37-R60 IonicContact OE1-NH2 3.58Å; E37-R60 IonicContact OE2-CZ 3.52Å; E37-R60 IonicContact OE2-NE 3.47Å; E37-R60 PolarHBondContact OE2-NE 3.14Å; E37-R60 IonicContact OE2-NH2 2.73Å; E37-R60 PolarHBondContact OE2-NH2 3.36Å; V39-R60 HydrophobicContact CG1-CB 4.13Å; D57-R60 HydrophobicContact CB-CB 4.19Å; D57-R60 HydrophobicContact CB-CG 4.33Å; D57-R60 VanDerWaalsContact CG-CG 3.47Å; D57-R60 PolarHBondContact OD1-N 3.11Å; D57-R60 VanDerWaalsContact OD2-CG 3.27Å; D57-R60 WeakPolarHBondContact OD2-CG 3.08Å; R60-R62 VanDerWaalsContact C-N 3.35Å; R60-R62 PolarHBondContact O-N 3.45Å; R60-Y63 WeakPolarHBondContact O-CB 3.23Å; R60-Y63 PolarHBondContact O-N 3.03Å; R60-W64 PolarHBondContact O-N 2.88Å
61V96.8Very high96.1Very high1 Ų174.6 Ų74.61%0.00638%0.375CS..Hα-helixtrans-59-46.9174.4171.10000110.5L6 V39 L56 D57 Y63 W64 L65 L79 L84L6-V61 HydrophobicContact CD2-CG1 4.47Å; V39-V61 HydrophobicContact CB-CG2 4.09Å; V39-V61 HydrophobicContact CG2-CG2 3.96Å; L56-V61 HydrophobicContact CD2-CG2 4.39Å; D57-V61 WeakPolarHBondContact O-CB 3.34Å; D57-V61 WeakPolarHBondContact O-CG2 3.41Å; D57-V61 PolarHBondContact O-N 3.46Å; V61-Y63 PolarHBondContact O-N 2.87Å; V61-W64 PolarHBondContact O-N 2.86Å; V61-L65 HydrophobicContact CG1-CD1 3.88Å; V61-L65 HydrophobicContact CG1-CG 4.16Å; V61-L65 WeakPolarHBondContact O-CB 3.34Å; V61-L65 VanDerWaalsContact O-CG 3.23Å; V61-L65 WeakPolarHBondContact O-CG 3.44Å; V61-L65 PolarHBondContact O-N 3.08Å; V61-L79 HydrophobicContact CG1-CD1 4.17Å; V61-L79 HydrophobicContact CG1-CD2 4.06Å; V61-L84 HydrophobicContact CB-CD2 4.49Å; V61-L84 HydrophobicContact CG1-CD2 3.65Å
62R96.5Very high96Very high137 Ų13770.3 Ų70.352%0.51736%0.357SS..Hα-helixtrans-60.5-43.8176.8-74.8167.6-177.2161.2-1.8112.7F58 D59 R60 W64 L65 A66 L84F58-R62 WeakPolarHBondContact O-CB 3.28Å; F58-R62 WeakPolarHBondContact O-CD 3.42Å; F58-R62 WeakPolarHBondContact O-CG 3.08Å; F58-R62 PolarHBondContact O-N 2.92Å; D59-R62 PolarHBondContact O-N 2.77Å; D59-R62 IonicContact OD1-NH1 3.55Å; R60-R62 VanDerWaalsContact C-N 3.35Å; R60-R62 PolarHBondContact O-N 3.45Å; R62-W64 VanDerWaalsContact C-N 3.3Å; R62-W64 PolarHBondContact O-N 3.22Å; R62-L65 PolarHBondContact O-N 2.98Å; R62-A66 PolarHBondContact O-N 2.81Å; R62-L84 HydrophobicContact CG-CD1 4.22Å
63Y97.1Very high95.9Very high110 Ų11070 Ų7043%0.43136%0.355SS..Hα-helixtrans-55.6-46.8175.5169.4-96000111.6D59 R60 V61 A66 Q67D59-Y63 WeakPolarHBondContact O-CB 3.48Å; D59-Y63 PolarHBondContact O-N 3.21Å; R60-Y63 WeakPolarHBondContact O-CB 3.23Å; R60-Y63 PolarHBondContact O-N 3.03Å; V61-Y63 PolarHBondContact O-N 2.87Å; Y63-A66 PolarHBondContact O-N 3.25Å; Y63-Q67 PolarHBondContact OH-NE2 2.98Å
64W96.3Very high95.8Very high16 Ų1667.9 Ų67.96%0.06135%0.352CS..Hα-helixtrans-71.8-35.5179.8-77.7116.4000113.1H4 V23 V36 E37 R60 V61 R62 A66 Q67 I69H4-W64 AromaticContact CD2-CZ3 3.86Å; V23-W64 HydrophobicContact CB-CD2 4.38Å; V23-W64 HydrophobicContact CB-CZ2 4.49Å; V23-W64 HydrophobicContact CG1-CD2 3.94Å; V23-W64 HydrophobicContact CG1-CE3 3.98Å; V23-W64 HydrophobicContact CG1-CH2 4.13Å; V23-W64 HydrophobicContact CG1-CZ2 4.09Å; V23-W64 HydrophobicContact CG1-CZ3 4.08Å; V23-W64 HydrophobicContact CG2-CB 4.3Å; V23-W64 HydrophobicContact CG2-CD2 3.9Å; V23-W64 HydrophobicContact CG2-CG 3.7Å; V36-W64 HydrophobicContact CG1-CH2 4.09Å; V36-W64 HydrophobicContact CG1-CZ2 4.15Å; E37-W64 HydrophobicContact CB-CZ2 4.5Å; E37-W64 PolarHBondContact OE2-NE1 3.02Å; R60-W64 PolarHBondContact O-N 2.88Å; V61-W64 PolarHBondContact O-N 2.86Å; R62-W64 VanDerWaalsContact C-N 3.3Å; R62-W64 PolarHBondContact O-N 3.22Å; W64-A66 VanDerWaalsContact C-N 3.27Å; W64-A66 PolarHBondContact O-N 2.96Å; W64-Q67 PolarHBondContact O-N 3.46Å; W64-Q67 VanDerWaalsContact O-N 3.14Å; W64-I69 HydrophobicContact CB-CD1 3.77Å; W64-I69 HydrophobicContact CE3-CG2 4.21Å; W64-I69 WeakPolarHBondContact O-CG1 3.07Å
65L94.8Very high95.8Very high42 Ų4264.9 Ų64.922%0.2233%0.333CS..Hα-helixtrans-60.3-38.4172.2-71.9175.4000111.5V61 R62 Q67 D68 I71 L84V61-L65 HydrophobicContact CG1-CD1 3.88Å; V61-L65 HydrophobicContact CG1-CG 4.16Å; V61-L65 WeakPolarHBondContact O-CB 3.34Å; V61-L65 VanDerWaalsContact O-CG 3.23Å; V61-L65 WeakPolarHBondContact O-CG 3.44Å; V61-L65 PolarHBondContact O-N 3.08Å; R62-L65 PolarHBondContact O-N 2.98Å; L65-Q67 PolarHBondContact O-N 3.13Å; L65-D68 PolarHBondContact O-N 3.1Å; L65-I71 HydrophobicContact CD2-CD1 3.27Å; L65-I71 HydrophobicContact CD2-CG1 4.2Å; L65-L84 HydrophobicContact CD1-CD2 4.11Å
66A95.6Very high95.8Very high83 Ų8364.7 Ų64.769%0.68633%0.325SS*.THydrogen-bonded Turntrans-68.1-15177.100000114R62 Y63 W64 D68R62-A66 PolarHBondContact O-N 2.81Å; Y63-A66 PolarHBondContact O-N 3.25Å; W64-A66 VanDerWaalsContact C-N 3.27Å; W64-A66 PolarHBondContact O-N 2.96Å; A66-D68 VanDerWaalsContact C-N 3.33Å
67Q94.6Very high95.8Very high85 Ų8564.6 Ų64.640%0.39732%0.324SS..THydrogen-bonded Turntrans-91.110.3175.8-64.8-1709.100113.9Y63 W64 L65 I69Y63-Q67 PolarHBondContact OH-NE2 2.98Å; W64-Q67 PolarHBondContact O-N 3.46Å; W64-Q67 VanDerWaalsContact O-N 3.14Å; L65-Q67 PolarHBondContact O-N 3.13Å; Q67-I69 HydrophobicContact CB-CG2 4.21Å
68D90.8Very high95.7Very high132 Ų13262.2 Ų62.271%0.70631%0.311SS*.THydrogen-bonded Turntrans52.858-179-67.5-41.9000113.2Y2 L65 A66Y2-D68 WeakPolarHBondContact CD1-O 3.04Å; Y2-D68 VanDerWaalsContact CE1-O 3.28Å; Y2-D68 WeakPolarHBondContact CE1-O 3.27Å; L65-D68 PolarHBondContact O-N 3.1Å; A66-D68 VanDerWaalsContact C-N 3.33Å
69I95.1Very high95.7Very high17 Ų1758.1 Ų58.19%0.08729%0.293CS..  trans-90.7157.1177.268168.7000112.5H4 L6 V23 W64 Q67H4-I69 HydrophobicContact CB-CB 4.46Å; H4-I69 HydrophobicContact CB-CG2 3.92Å; L6-I69 HydrophobicContact CB-CD1 3.67Å; V23-I69 HydrophobicContact CG2-CD1 4.38Å; W64-I69 HydrophobicContact CB-CD1 3.77Å; W64-I69 HydrophobicContact CE3-CG2 4.21Å; W64-I69 WeakPolarHBondContact O-CG1 3.07Å; Q67-I69 HydrophobicContact CB-CG2 4.21Å
70H94.1Very high95.7Very high88 Ų8852.9 Ų52.941%0.40727%0.266SS..EExtended strand (participates in β ladder)trans-73.2134.5173.3177-95.2000111.2Y2 H4 A5 L6Y2-H70 HydrophobicContact CD1-CB 4.46Å; Y2-H70 HydrophobicContact CD2-CB 3.57Å; Y2-H70 HydrophobicContact CE2-CB 4.14Å; Y2-H70 HydrophobicContact CG-CB 3.74Å; H4-H70 PolarHBondContact O-N 2.99Å; A5-H70 CarbonylContact C-O 3.54Å; A5-H70 WeakPolarHBondContact CA-O 3.3Å; A5-H70 HydrophobicContact CB-CB 4.07Å; A5-H70 WeakPolarHBondContact CB-O 3.39Å; L6-H70 PolarHBondContact N-O 2.87Å
71I95.2Very high95.6Very high31 Ų3155.6 Ų55.616%0.15929%0.286CS..EExtended strand (participates in β ladder)trans-115.9128.3179.3-48.2164.4000109.2L6 L65 V75 L76L6-I71 HydrophobicContact CB-CG1 4.46Å; L6-I71 HydrophobicContact CB-CG2 4.35Å; L6-I71 HydrophobicContact CD2-CG2 4.27Å; L65-I71 HydrophobicContact CD2-CD1 3.27Å; L65-I71 HydrophobicContact CD2-CG1 4.2Å; I71-V75 HydrophobicContact CG2-CB 3.93Å; I71-V75 HydrophobicContact CG2-CG1 3.96Å; I71-L76 HydrophobicContact CB-CD1 4.47Å; I71-L76 HydrophobicContact CB-CD2 4.03Å; I71-L76 HydrophobicContact CB-CG 3.97Å; I71-L76 HydrophobicContact CD1-CD2 3.9Å; I71-L76 HydrophobicContact CG2-CD2 3.88Å; I71-L76 HydrophobicContact CG2-CG 3.68Å
72S94.3Very high95.6Very high19 Ų1957.8 Ų57.813%0.13330%0.301CS..  trans-68.6145.3175.569.30000111.8L6 A74 V75 L76L6-S72 PolarHBondContact O-N 2.91Å; L6-S72 PolarHBondContact O-OG 2.66Å; S72-A74 PolarHBondContact O-N 2.96Å; S72-A74 VanDerWaalsContact O-N 3.13Å; S72-V75 PolarHBondContact O-N 3.13Å; S72-V75 WeakPolarHBondContact OG-CG2 3.35Å; S72-L76 PolarHBondContact O-N 3.46Å
73K95.6Very high95.6Very high120 Ų12054.4 Ų54.452%0.52231%0.309SS..Hα-helixtrans-50.3-41-178.9-176.7179.8175.1-1780114L76 E77 A90K73-L76 WeakPolarHBondContact O-CB 3.42Å; K73-L76 PolarHBondContact O-N 2.93Å; K73-E77 VanDerWaalsContact CE-OE1 3.3Å; K73-E77 WeakPolarHBondContact CE-OE1 3.49Å; K73-E77 PolarHBondContact O-N 3.15Å; K73-A90 VanDerWaalsContact CE-CB 3.47Å
74A95.3Very high95.5Very high52 Ų5251.1 Ų51.143%0.4330%0.298SS..Hα-helixtrans-64.8-39.3179.200000112.4L8 S72 E77 L78L8-A74 HydrophobicContact CD1-CB 3.82Å; S72-A74 PolarHBondContact O-N 2.96Å; S72-A74 VanDerWaalsContact O-N 3.13Å; A74-E77 PolarHBondContact O-N 3.44Å; A74-L78 PolarHBondContact O-N 2.84Å; A74-L78 VanDerWaalsContact O-N 3.08Å
75V96.3Very high95.4Very high0 Ų052.9 Ų52.90%031%0.309CS..Hα-helixtrans-70.8-37.5175.3-179.50000110.8L6 L8 I21 I71 S72 E77 L78 L79L6-V75 HydrophobicContact CD2-CG1 3.65Å; L6-V75 HydrophobicContact CG-CG1 3.9Å; L8-V75 HydrophobicContact CD2-CG2 3.8Å; L8-V75 HydrophobicContact CG-CG2 3.74Å; I21-V75 HydrophobicContact CG2-CG1 4.49Å; I71-V75 HydrophobicContact CG2-CB 3.93Å; I71-V75 HydrophobicContact CG2-CG1 3.96Å; S72-V75 PolarHBondContact O-N 3.13Å; S72-V75 WeakPolarHBondContact OG-CG2 3.35Å; V75-E77 VanDerWaalsContact C-N 3.34Å; V75-E77 PolarHBondContact O-N 3.45Å; V75-L78 WeakPolarHBondContact O-CB 3.42Å; V75-L78 PolarHBondContact O-N 3.16Å; V75-L78 VanDerWaalsContact O-N 3.13Å; V75-L79 HydrophobicContact CG1-CD1 3.91Å; V75-L79 HydrophobicContact CG1-CG 3.99Å; V75-L79 WeakPolarHBondContact O-CG 3.45Å; V75-L79 PolarHBondContact O-N 3.35Å
76L97Very high95.5Very high47 Ų4756.3 Ų56.325%0.24633%0.333CS..Hα-helixtrans-59-44.4172.6-76170.3000112.1I71 S72 K73 L78 G80 L85I71-L76 HydrophobicContact CB-CD1 4.47Å; I71-L76 HydrophobicContact CB-CD2 4.03Å; I71-L76 HydrophobicContact CB-CG 3.97Å; I71-L76 HydrophobicContact CD1-CD2 3.9Å; I71-L76 HydrophobicContact CG2-CD2 3.88Å; I71-L76 HydrophobicContact CG2-CG 3.68Å; S72-L76 PolarHBondContact O-N 3.46Å; K73-L76 WeakPolarHBondContact O-CB 3.42Å; K73-L76 PolarHBondContact O-N 2.93Å; L76-L78 VanDerWaalsContact C-N 3.3Å; L76-L78 PolarHBondContact O-N 3.2Å; L76-G80 PolarHBondContact O-N 3.46Å; L76-L85 HydrophobicContact CD2-CD1 4.03Å
77E96.8Very high95.6Very high28 Ų2855 Ų5513%0.13132%0.317CS..Hα-helixtrans-60.4-40.8174.2-73.2-178.1-160.500111.3K73 A74 V75 G80 L81 H88 R94K73-E77 VanDerWaalsContact CE-OE1 3.3Å; K73-E77 WeakPolarHBondContact CE-OE1 3.49Å; K73-E77 PolarHBondContact O-N 3.15Å; A74-E77 PolarHBondContact O-N 3.44Å; V75-E77 VanDerWaalsContact C-N 3.34Å; V75-E77 PolarHBondContact O-N 3.45Å; E77-G80 PolarHBondContact O-N 3Å; E77-L81 WeakPolarHBondContact O-CG 3.3Å; E77-L81 PolarHBondContact O-N 3.49Å; E77-H88 HydrophobicContact CG-CB 3.99Å; E77-R94 IonicContact OE1-NH1 3.96Å; E77-R94 IonicContact OE2-CZ 3.58Å; E77-R94 IonicContact OE2-NH1 2.92Å; E77-R94 PolarHBondContact OE2-NH1 2.99Å; E77-R94 IonicContact OE2-NH2 3.35Å; E77-R94 PolarHBondContact OE2-NH2 3.21Å
78L96.3Very high95.7Very high23 Ų2353.1 Ų53.112%0.1231%0.308CS..Hα-helixtrans-67.8-46.1179.7-168.865.9000113I21 V54 A74 V75 L76 G80 L81 S82I21-L78 HydrophobicContact CD1-CD2 3.53Å; I21-L78 HydrophobicContact CG1-CD2 4.48Å; V54-L78 HydrophobicContact CG1-CD1 3.93Å; V54-L78 HydrophobicContact CG1-CD2 3.78Å; V54-L78 HydrophobicContact CG1-CG 4.07Å; V54-L78 HydrophobicContact CG2-CD1 3.8Å; A74-L78 PolarHBondContact O-N 2.84Å; A74-L78 VanDerWaalsContact O-N 3.08Å; V75-L78 WeakPolarHBondContact O-CB 3.42Å; V75-L78 PolarHBondContact O-N 3.16Å; V75-L78 VanDerWaalsContact O-N 3.13Å; L76-L78 VanDerWaalsContact C-N 3.3Å; L76-L78 PolarHBondContact O-N 3.2Å; L78-G80 PolarHBondContact O-N 3.42Å; L78-L81 PolarHBondContact O-N 3.43Å; L78-S82 PolarHBondContact O-N 3.42Å
79L96.8Very high96Very high0 Ų051.1 Ų51.10%030%0.302CS..Hα-helixtrans-67.1-28.3176-66.2178.7000112.2L6 L56 V61 V75 S82 L84 L85L6-L79 HydrophobicContact CD2-CD1 4.11Å; L56-L79 HydrophobicContact CD1-CD2 3.98Å; L56-L79 HydrophobicContact CD2-CD2 4.37Å; V61-L79 HydrophobicContact CG1-CD1 4.17Å; V61-L79 HydrophobicContact CG1-CD2 4.06Å; V75-L79 HydrophobicContact CG1-CD1 3.91Å; V75-L79 HydrophobicContact CG1-CG 3.99Å; V75-L79 WeakPolarHBondContact O-CG 3.45Å; V75-L79 PolarHBondContact O-N 3.35Å; L79-S82 PolarHBondContact O-OG 2.95Å; L79-L84 HydrophobicContact CD2-CD2 4.05Å; L79-L84 PolarHBondContact O-N 2.92Å; L79-L85 HydrophobicContact CB-CB 4.32Å; L79-L85 HydrophobicContact CB-CD1 3.9Å; L79-L85 HydrophobicContact CB-CG 4.18Å; L79-L85 HydrophobicContact CD1-CD1 3.83Å; L79-L85 PolarHBondContact O-N 3.3Å; L79-L85 VanDerWaalsContact O-N 3.16Å
80G97Very high96.1Very high5 Ų551.3 Ų51.35%0.05231%0.307CS..Hα-helixtrans-66.2-43.4170.600000112.5L76 E77 L78 S82 G83 L85L76-G80 PolarHBondContact O-N 3.46Å; E77-G80 PolarHBondContact O-N 3Å; L78-G80 PolarHBondContact O-N 3.42Å; G80-S82 VanDerWaalsContact C-N 3.34Å; G80-G83 PolarHBondContact O-N 2.96Å; G80-L85 WeakPolarHBondContact CA-O 3.37Å
81L96Very high96.1Very high131 Ų13148.3 Ų48.369%0.68629%0.294SS*.Hα-helixtrans-69.9-30.2176.2-70.8174.2000112.8E77 L78 G83E77-L81 WeakPolarHBondContact O-CG 3.3Å; E77-L81 PolarHBondContact O-N 3.49Å; L78-L81 PolarHBondContact O-N 3.43Å; L81-G83 PolarHBondContact O-N 3.06Å
82S95.7Very high96.2Very high48 Ų4853.1 Ų53.134%0.33631%0.314SS..THydrogen-bonded Turntrans-74.8-7.4177.179.50000113.7L78 L79 G80 L84L78-S82 PolarHBondContact O-N 3.42Å; L79-S82 PolarHBondContact O-OG 2.95Å; G80-S82 VanDerWaalsContact C-N 3.34Å; S82-L84 VanDerWaalsContact C-N 3.29Å; S82-L84 PolarHBondContact O-N 3.38Å; S82-L84 PolarHBondContact OG-N 3.34Å
83G95.9Very high96.2Very high65 Ų6555.6 Ų55.667%0.6733%0.328SS*.THydrogen-bonded Turntrans76.87.2-176.500000115G80 L81G80-G83 PolarHBondContact O-N 2.96Å; L81-G83 PolarHBondContact O-N 3.06Å
84L94.9Very high96.2Very high42 Ų4255.6 Ų55.622%0.2233%0.325CS..SBendtrans-77.4-40.2176.5-17769.9000111.2F58 V61 R62 L65 L79 S82F58-L84 HydrophobicContact CD1-CB 4.45Å; F58-L84 HydrophobicContact CD1-CD1 4.3Å; F58-L84 HydrophobicContact CD1-CD2 4.18Å; F58-L84 HydrophobicContact CE1-CB 4.34Å; V61-L84 HydrophobicContact CB-CD2 4.49Å; V61-L84 HydrophobicContact CG1-CD2 3.65Å; R62-L84 HydrophobicContact CG-CD1 4.22Å; L65-L84 HydrophobicContact CD1-CD2 4.11Å; L79-L84 HydrophobicContact CD2-CD2 4.05Å; L79-L84 PolarHBondContact O-N 2.92Å; S82-L84 VanDerWaalsContact C-N 3.29Å; S82-L84 PolarHBondContact O-N 3.38Å; S82-L84 PolarHBondContact OG-N 3.34Å
85L95.7Very high96.1Very high52 Ų5255.1 Ų55.127%0.27232%0.321SS..SBendtrans-118.1161.7176.8-67.4-179.9000109.4L76 L79 G80L76-L85 HydrophobicContact CD2-CD1 4.03Å; L79-L85 HydrophobicContact CB-CB 4.32Å; L79-L85 HydrophobicContact CB-CD1 3.9Å; L79-L85 HydrophobicContact CB-CG 4.18Å; L79-L85 HydrophobicContact CD1-CD1 3.83Å; L79-L85 PolarHBondContact O-N 3.3Å; L79-L85 VanDerWaalsContact O-N 3.16Å; G80-L85 WeakPolarHBondContact CA-O 3.37Å
86P97Very high96Very high114 Ų11464.9 Ų64.974%0.7436%0.358SS*.PPolyproline II helixtrans-62.1150169.426.7-34.9000111H88P86-H88 PolarHBondContact O-N 3.24Å
87V96.9Very high95.9Very high57 Ų5770.8 Ų70.835%0.34538%0.377SS..PPolyproline II helixtrans-59.3125.7177.5179.40000110.1T91 F92V87-T91 HydrophobicContact CG1-CG2 3.92Å; V87-F92 HydrophobicContact CB-CE2 3.93Å; V87-F92 HydrophobicContact CB-CZ 3.88Å; V87-F92 HydrophobicContact CG1-CE2 3.88Å; V87-F92 HydrophobicContact CG1-CZ 3.9Å
88H97.1Very high95.7Very high45 Ų4573.1 Ų73.121%0.20839%0.39CS..PPolyproline II helixtrans-59.1136.6-177.5-175-86.5000112E77 P86 A90 T91E77-H88 HydrophobicContact CG-CB 3.99Å; P86-H88 PolarHBondContact O-N 3.24Å; H88-A90 VanDerWaalsContact CE1-CB 3.49Å; H88-A90 WeakPolarHBondContact CE1-CB 3.28Å; H88-A90 VanDerWaalsContact ND1-CB 3.28Å; H88-A90 WeakPolarHBondContact ND1-CB 3.49Å; H88-A90 PolarHBondContact ND1-N 2.91Å; H88-A90 VanDerWaalsContact ND1-N 3.16Å; H88-A90 PolarHBondContact O-N 3.21Å; H88-A90 VanDerWaalsContact O-N 3.11Å; H88-T91 WeakPolarHBondContact O-CB 3.22Å; H88-T91 PolarHBondContact O-N 3.11Å; H88-T91 PolarHBondContact O-OG1 3.37Å
89P97.2Very high95.4Very high89 Ų8977.4 Ų77.458%0.57841%0.408SS*.Hα-helixtrans-58.2-32.6-173.620.4-33.7000114.1T91 F92 V93P89-T91 PolarHBondContact O-N 3.25Å; P89-F92 PolarHBondContact O-N 2.92Å; P89-F92 VanDerWaalsContact O-N 3.14Å; P89-V93 PolarHBondContact O-N 3.49Å
90A95.9Very high95.1Very high22 Ų2281.3 Ų81.318%0.18244%0.435CS..Hα-helixtrans-62-25.2176.700000113.4K73 H88 V93 R94K73-A90 VanDerWaalsContact CE-CB 3.47Å; H88-A90 VanDerWaalsContact CE1-CB 3.49Å; H88-A90 WeakPolarHBondContact CE1-CB 3.28Å; H88-A90 VanDerWaalsContact ND1-CB 3.28Å; H88-A90 WeakPolarHBondContact ND1-CB 3.49Å; H88-A90 PolarHBondContact ND1-N 2.91Å; H88-A90 VanDerWaalsContact ND1-N 3.16Å; H88-A90 PolarHBondContact O-N 3.21Å; H88-A90 VanDerWaalsContact O-N 3.11Å; A90-V93 PolarHBondContact O-N 3.16Å; A90-R94 WeakPolarHBondContact O-CB 3.37Å; A90-R94 PolarHBondContact O-N 3.4Å
91T95.8Very high94.8Very high25 Ų2585 Ų8515%0.15345%0.451CS..Hα-helixtrans-64.6-44.2175.2-55.40000110.6V87 H88 P89 R94 A95V87-T91 HydrophobicContact CG1-CG2 3.92Å; H88-T91 WeakPolarHBondContact O-CB 3.22Å; H88-T91 PolarHBondContact O-N 3.11Å; H88-T91 PolarHBondContact O-OG1 3.37Å; P89-T91 PolarHBondContact O-N 3.25Å; T91-R94 PolarHBondContact O-N 3.43Å; T91-A95 WeakPolarHBondContact O-CB 3.38Å; T91-A95 PolarHBondContact O-N 2.89Å
92F95.6Very high94.6Very high132 Ų13283.5 Ų83.558%0.57945%0.449SS*.Hα-helixtrans-66.3-41.5176-61.9-69.1000112.1V87 P89 R94 A95 R96V87-F92 HydrophobicContact CB-CE2 3.93Å; V87-F92 HydrophobicContact CB-CZ 3.88Å; V87-F92 HydrophobicContact CG1-CE2 3.88Å; V87-F92 HydrophobicContact CG1-CZ 3.9Å; P89-F92 PolarHBondContact O-N 2.92Å; P89-F92 VanDerWaalsContact O-N 3.14Å; F92-R94 PolarHBondContact O-N 3.08Å; F92-A95 PolarHBondContact O-N 3.18Å; F92-R96 PolarHBondContact O-N 3.31Å
93V96Very high94.4Very high70 Ų7088 Ų8842%0.42447%0.469SS..Hα-helixtrans-61.6-44.6176177.20000110.9P89 A90 R96 R97P89-V93 PolarHBondContact O-N 3.49Å; A90-V93 PolarHBondContact O-N 3.16Å; V93-R96 PolarHBondContact O-N 2.89Å; V93-R97 WeakPolarHBondContact O-CG 3.34Å; V93-R97 PolarHBondContact O-N 3.49Å; V93-R97 VanDerWaalsContact O-N 3.08Å
94R95.3Very high94.2Very high120 Ų12088.3 Ų88.345%0.45346%0.455SS..Hα-helixtrans-62.3-44.4175.2-176.3173.169.4-147.9-2.4111.3E77 A90 T91 F92 R96 R97 N98E77-R94 IonicContact OE1-NH1 3.96Å; E77-R94 IonicContact OE2-CZ 3.58Å; E77-R94 IonicContact OE2-NH1 2.92Å; E77-R94 PolarHBondContact OE2-NH1 2.99Å; E77-R94 IonicContact OE2-NH2 3.35Å; E77-R94 PolarHBondContact OE2-NH2 3.21Å; A90-R94 WeakPolarHBondContact O-CB 3.37Å; A90-R94 PolarHBondContact O-N 3.4Å; T91-R94 PolarHBondContact O-N 3.43Å; F92-R94 PolarHBondContact O-N 3.08Å; R94-R96 PolarHBondContact O-N 3.46Å; R94-R97 PolarHBondContact O-N 3.48Å; R94-N98 VanDerWaalsContact O-CG 3.27Å; R94-N98 PolarHBondContact O-N 3.28Å; R94-N98 PolarHBondContact O-OD1 3.16Å
95A93.7Very high93.9Very high42 Ų4289.7 Ų89.735%0.34746%0.459SS..Hα-helixtrans-60.4-45.7177.300000111.9T91 F92 R97 N98 K99T91-A95 WeakPolarHBondContact O-CB 3.38Å; T91-A95 PolarHBondContact O-N 2.89Å; F92-A95 PolarHBondContact O-N 3.18Å; A95-R97 PolarHBondContact O-N 2.89Å; A95-N98 PolarHBondContact O-N 3Å; A95-K99 WeakPolarHBondContact O-CG 3.33Å; A95-K99 PolarHBondContact O-N 3.48Å
96R93.9Very high93.6Very high205 Ų20591.3 Ų91.377%0.77447%0.473SS*.Hα-helixtrans-58.8-45.6176.2-175.2176.1179.6173.10.5111.8F92 V93 R94 K99 S100F92-R96 PolarHBondContact O-N 3.31Å; V93-R96 PolarHBondContact O-N 2.89Å; R94-R96 PolarHBondContact O-N 3.46Å; R96-K99 PolarHBondContact O-N 3.25Å; R96-S100 PolarHBondContact O-N 2.99Å; R96-S100 VanDerWaalsContact O-N 3.15Å; R96-S100 PolarHBondContact O-OG 3.34Å
97R94.4Very high93.3Very high172 Ų17291.2 Ų91.265%0.64946%0.462SS*.Hα-helixtrans-62.3-41.5176.7-71.1175.1-175.6170.81.2112.5V93 R94 A95 S100 H101V93-R97 WeakPolarHBondContact O-CG 3.34Å; V93-R97 PolarHBondContact O-N 3.49Å; V93-R97 VanDerWaalsContact O-N 3.08Å; R94-R97 PolarHBondContact O-N 3.48Å; A95-R97 PolarHBondContact O-N 2.89Å; R97-S100 PolarHBondContact O-N 3.14Å; R97-S100 PolarHBondContact O-OG 3.32Å; R97-H101 PolarHBondContact O-N 3.44Å; R97-H101 VanDerWaalsContact O-N 3.16Å
98N92.4Very high93Very high77 Ų7790 Ų9041%0.41245%0.454SS..Hα-helixtrans-66.1-38.7178.3-71.5-1.1000111.6R94 A95 S100 H101 L104R94-N98 VanDerWaalsContact O-CG 3.27Å; R94-N98 PolarHBondContact O-N 3.28Å; R94-N98 PolarHBondContact O-OD1 3.16Å; A95-N98 PolarHBondContact O-N 3Å; N98-S100 VanDerWaalsContact C-N 3.33Å; N98-S100 PolarHBondContact O-N 3.22Å; N98-H101 WeakPolarHBondContact O-CB 3.43Å; N98-H101 PolarHBondContact O-N 2.62Å; N98-L104 HydrophobicContact CB-CD1 4.17Å
99K90.3Very high92.7Very high112 Ų11290.2 Ų90.249%0.48746%0.458SS..Hα-helixtrans-64.1-35.8175.6-72.4-173176.7-166.40112.8A95 R96 H101 L108 I114A95-K99 WeakPolarHBondContact O-CG 3.33Å; A95-K99 PolarHBondContact O-N 3.48Å; R96-K99 PolarHBondContact O-N 3.25Å; K99-H101 VanDerWaalsContact C-N 3.32Å; K99-L108 HydrophobicContact CG-CD1 4.47Å; K99-I114 HydrophobicContact CB-CD1 3.64Å; K99-I114 HydrophobicContact CD-CD1 4.25Å; K99-I114 HydrophobicContact CD-CG1 4.3Å; K99-I114 HydrophobicContact CG-CD1 3.75Å; K99-I114 HydrophobicContact CG-CG1 4.28Å
100S89.4Confident92.5Very high82 Ų8290.2 Ų90.257%0.57346%0.46SS*.THydrogen-bonded Turntrans-84-2.7176.3620000114R96 R97 N98R96-S100 PolarHBondContact O-N 2.99Å; R96-S100 VanDerWaalsContact O-N 3.15Å; R96-S100 PolarHBondContact O-OG 3.34Å; R97-S100 PolarHBondContact O-N 3.14Å; R97-S100 PolarHBondContact O-OG 3.32Å; N98-S100 VanDerWaalsContact C-N 3.33Å; N98-S100 PolarHBondContact O-N 3.22Å
101H92.2Very high92.3Very high82 Ų8294.3 Ų94.338%0.3848%0.477SS..  trans-74.3125.7-173.4-170.9-88.9000111.1R97 N98 K99 L103 L104 K105R97-H101 PolarHBondContact O-N 3.44Å; R97-H101 VanDerWaalsContact O-N 3.16Å; N98-H101 WeakPolarHBondContact O-CB 3.43Å; N98-H101 PolarHBondContact O-N 2.62Å; K99-H101 VanDerWaalsContact C-N 3.32Å; H101-L103 VanDerWaalsContact C-N 3.29Å; H101-L103 PolarHBondContact ND1-N 2.87Å; H101-L103 PolarHBondContact O-N 3.22Å; H101-L103 VanDerWaalsContact O-N 3.15Å; H101-L104 HydrophobicContact CB-CB 4.24Å; H101-L104 HydrophobicContact CB-CD1 4.14Å; H101-L104 HydrophobicContact CB-CG 4.26Å; H101-L104 PolarHBondContact O-N 3.47Å; H101-K105 WeakPolarHBondContact O-CB 3.47Å; H101-K105 PolarHBondContact O-N 3.18Å
102P91.6Very high92Very high100 Ų10096.2 Ų96.265%0.64950%0.501SS*.THydrogen-bonded Turntrans-56-37.3-173-27.734.4000114.6P106P102-P106 WeakPolarHBondContact O-CD 3.32Å
103L91.9Very high91.6Very high144 Ų14494.7 Ų94.775%0.75450%0.499SS*.THydrogen-bonded Turntrans-76.5-25.1-179.9-56-177.1000113.6H101H101-L103 VanDerWaalsContact C-N 3.29Å; H101-L103 PolarHBondContact ND1-N 2.87Å; H101-L103 PolarHBondContact O-N 3.22Å; H101-L103 VanDerWaalsContact O-N 3.15Å
104L90.1Very high91.1Very high70 Ų7092.7 Ų92.737%0.36649%0.485SS..THydrogen-bonded Turntrans-95.3-33.1-176.5-61.8177.9000111.4N98 H101 H107 L108N98-L104 HydrophobicContact CB-CD1 4.17Å; H101-L104 HydrophobicContact CB-CB 4.24Å; H101-L104 HydrophobicContact CB-CD1 4.14Å; H101-L104 HydrophobicContact CB-CG 4.26Å; H101-L104 PolarHBondContact O-N 3.47Å; L104-H107 WeakPolarHBondContact O-CB 3.36Å; L104-H107 PolarHBondContact O-N 3.07Å; L104-H107 VanDerWaalsContact O-N 3.07Å; L104-L108 HydrophobicContact CB-CD1 4.12Å; L104-L108 VanDerWaalsContact O-CG 3.32Å; L104-L108 WeakPolarHBondContact O-CG 3.35Å; L104-L108 PolarHBondContact O-N 3.48Å
105K89.1Confident90.6Very high71 Ų7191.8 Ų91.831%0.30950%0.495SS..Hα-helixtrans-54.1-47.2-175.1-173.6-179.2-178.1-173.60113.3H101 H107 L108 V109 D117H101-K105 WeakPolarHBondContact O-CB 3.47Å; H101-K105 PolarHBondContact O-N 3.18Å; K105-H107 VanDerWaalsContact C-N 3.32Å; K105-H107 PolarHBondContact O-N 3.37Å; K105-L108 PolarHBondContact O-N 2.96Å; K105-V109 HydrophobicContact CG-CG2 4.4Å; K105-V109 VanDerWaalsContact O-CG2 3.3Å; K105-V109 WeakPolarHBondContact O-CG2 3.42Å; K105-V109 PolarHBondContact O-N 3.28Å; K105-D117 WeakPolarHBondContact CE-OD2 3.46Å; K105-D117 IonicContact NZ-OD2 2.63Å; K105-D117 PolarHBondContact NZ-OD2 3.2Å
106P90.4Very high89.9Confident87 Ų8793 Ų9357%0.56551%0.505SS*.Hα-helixtrans-58-43.3175.9-24.333.6000112.7P102 V109 S110P102-P106 WeakPolarHBondContact O-CD 3.32Å; P106-V109 PolarHBondContact O-N 2.93Å; P106-S110 WeakPolarHBondContact O-CB 3.45Å; P106-S110 PolarHBondContact O-N 2.94Å
107H90.2Very high89Confident111 Ų11187 Ų8751%0.51449%0.488SS..Hα-helixtrans-66.3-42.7178.1-174.154.3000111.6L104 K105 V109 S110 M111L104-H107 WeakPolarHBondContact O-CB 3.36Å; L104-H107 PolarHBondContact O-N 3.07Å; L104-H107 VanDerWaalsContact O-N 3.07Å; K105-H107 VanDerWaalsContact C-N 3.32Å; K105-H107 PolarHBondContact O-N 3.37Å; H107-V109 PolarHBondContact O-N 3.35Å; H107-S110 WeakPolarHBondContact CA-OG 3.3Å; H107-S110 PolarHBondContact O-N 2.96Å; H107-S110 PolarHBondContact O-OG 3.15Å; H107-M111 PolarHBondContact NE2-SD 3.43Å; H107-M111 WeakPolarHBondContact O-CG 3.05Å; H107-M111 PolarHBondContact O-N 3.29Å
108L90.1Very high87.1Confident33 Ų3387.8 Ų87.817%0.17350%0.499CS..Hα-helixtrans-65.8-36.8178-66.2172.6000112.8K99 L104 K105 M111 G112 L113 I114K99-L108 HydrophobicContact CG-CD1 4.47Å; L104-L108 HydrophobicContact CB-CD1 4.12Å; L104-L108 VanDerWaalsContact O-CG 3.32Å; L104-L108 WeakPolarHBondContact O-CG 3.35Å; L104-L108 PolarHBondContact O-N 3.48Å; K105-L108 PolarHBondContact O-N 2.96Å; L108-M111 PolarHBondContact O-N 2.9Å; L108-G112 PolarHBondContact O-N 3.15Å; L108-L113 HydrophobicContact CD2-CD1 3.81Å; L108-L113 PolarHBondContact O-N 2.89Å; L108-I114 HydrophobicContact CB-CD1 3.67Å; L108-I114 HydrophobicContact CB-CG1 4.09Å; L108-I114 HydrophobicContact CD1-CD1 3.71Å; L108-I114 HydrophobicContact CG-CD1 4.33Å
109V91.3Very high85Confident48 Ų4888.9 Ų88.929%0.29151%0.513SS..Hα-helixtrans-65.4-43.7171.2172.30000110.1K105 P106 H107 M111 G112 I114 A116K105-V109 HydrophobicContact CG-CG2 4.4Å; K105-V109 VanDerWaalsContact O-CG2 3.3Å; K105-V109 WeakPolarHBondContact O-CG2 3.42Å; K105-V109 PolarHBondContact O-N 3.28Å; P106-V109 PolarHBondContact O-N 2.93Å; H107-V109 PolarHBondContact O-N 3.35Å; V109-M111 PolarHBondContact O-N 3.33Å; V109-G112 PolarHBondContact O-N 3.46Å; V109-I114 HydrophobicContact CG2-CB 4.41Å; V109-A116 HydrophobicContact CG1-CB 3.83Å
110S92Very high82.8Confident90 Ų9089.9 Ų89.963%0.62953%0.529SS*.Hα-helixtrans-61.8-31.1176.577.90000113.4P106 H107 G112P106-S110 WeakPolarHBondContact O-CB 3.45Å; P106-S110 PolarHBondContact O-N 2.94Å; H107-S110 WeakPolarHBondContact CA-OG 3.3Å; H107-S110 PolarHBondContact O-N 2.96Å; H107-S110 PolarHBondContact O-OG 3.15Å; S110-G112 VanDerWaalsContact C-N 3.29Å
111M91.7Very high80.2Confident108 Ų10894.2 Ų94.253%0.53254%0.54SS..THydrogen-bonded Turntrans-81-5.2174-67.9178.572.200113.4H107 L108 V109 L113H107-M111 PolarHBondContact NE2-SD 3.43Å; H107-M111 WeakPolarHBondContact O-CG 3.05Å; H107-M111 PolarHBondContact O-N 3.29Å; L108-M111 PolarHBondContact O-N 2.9Å; V109-M111 PolarHBondContact O-N 3.33Å; M111-L113 VanDerWaalsContact C-N 3.34Å; M111-L113 HydrophobicContact CB-CD1 4.08Å; M111-L113 HydrophobicContact CB-CG 3.96Å; M111-L113 HydrophobicContact CE-CD1 3.95Å; M111-L113 PolarHBondContact O-N 2.91Å; M111-L113 HydrophobicContact SD-CD1 4.14Å
112G89.8Confident77.7Confident65 Ų6597.8 Ų97.867%0.6756%0.562SS**THydrogen-bonded Turntrans72.918.9-177.300000114.9L108 V109 S110L108-G112 PolarHBondContact O-N 3.15Å; V109-G112 PolarHBondContact O-N 3.46Å; S110-G112 VanDerWaalsContact C-N 3.29Å
113L87Confident75.3Confident99 Ų9998.9 Ų98.952%0.51857%0.566SS.*SBendtrans-87.9-15-175.9-63.9176.5000114L108 M111L108-L113 HydrophobicContact CD2-CD1 3.81Å; L108-L113 PolarHBondContact O-N 2.89Å; M111-L113 VanDerWaalsContact C-N 3.34Å; M111-L113 HydrophobicContact CB-CD1 4.08Å; M111-L113 HydrophobicContact CB-CG 3.96Å; M111-L113 HydrophobicContact CE-CD1 3.95Å; M111-L113 PolarHBondContact O-N 2.91Å; M111-L113 HydrophobicContact SD-CD1 4.14Å
114I86.7Confident72.8Confident28 Ų2897.6 Ų97.614%0.14457%0.567CS.*SBendtrans-138.5138.8178.6-54.6175.6000106.4K99 L108 V109 A116K99-I114 HydrophobicContact CB-CD1 3.64Å; K99-I114 HydrophobicContact CD-CD1 4.25Å; K99-I114 HydrophobicContact CD-CG1 4.3Å; K99-I114 HydrophobicContact CG-CD1 3.75Å; K99-I114 HydrophobicContact CG-CG1 4.28Å; L108-I114 HydrophobicContact CB-CD1 3.67Å; L108-I114 HydrophobicContact CB-CG1 4.09Å; L108-I114 HydrophobicContact CD1-CD1 3.71Å; L108-I114 HydrophobicContact CG-CD1 4.33Å; V109-I114 HydrophobicContact CG2-CB 4.41Å; I114-A116 PolarHBondContact O-N 3.47Å
115P85.1Confident70.8Confident101 Ų101103 Ų10366%0.65659%0.59SS**PPolyproline II helixtrans-56.1140.2170.424.9-34.3000110.1D117P115-D117 PolarHBondContact O-N 3.21Å
116A78.1Confident68.7Low67 Ų67108.1 Ų108.155%0.55462%0.615SS**PPolyproline II helixtrans-64.1119.1164.400000106.6V109 I114 E118V109-A116 HydrophobicContact CG1-CB 3.83Å; I114-A116 PolarHBondContact O-N 3.47Å; A116-E118 PolarHBondContact O-N 2.63Å
117D75.4Confident66.6Low80 Ų80110.7 Ų110.743%0.42863%0.629SS.*PPolyproline II helixtrans-60.9125.3173.4-65.8-23.4000107.5K105 P115 S119K105-D117 WeakPolarHBondContact CE-OD2 3.46Å; K105-D117 IonicContact NZ-OD2 2.63Å; K105-D117 PolarHBondContact NZ-OD2 3.2Å; P115-D117 PolarHBondContact O-N 3.21Å; D117-S119 PolarHBondContact O-N 3.16Å
118E54.5Low65.3Low189 Ų189111.2 Ų111.288%0.88364%0.641SS**SBendtrans-62.6-1.7178.9-67.3179.7159.400113.2A116 T120A116-E118 PolarHBondContact O-N 2.63Å; E118-T120 VanDerWaalsContact C-N 3.3Å; E118-T120 PolarHBondContact O-N 2.92Å; E118-T120 VanDerWaalsContact O-N 3.16Å
119S48Very low63.3Low99 Ų99122.2 Ų122.269%0.69269%0.691SS**THydrogen-bonded Turntrans-84.319.8-169.156.30000116.1D117D117-S119 PolarHBondContact O-N 3.16Å
120T44.2Very low61.9Low134 Ų134125.9 Ų125.982%0.82271%0.711SS**THydrogen-bonded Turntrans-12029.6171.5-17.70000113.6E118E118-T120 VanDerWaalsContact C-N 3.3Å; E118-T120 PolarHBondContact O-N 2.92Å; E118-T120 VanDerWaalsContact O-N 3.16Å
121Q35.5Very low60.3Low173 Ų173127.8 Ų127.881%0.80872%0.715SS**  trans-10758.6161.6-69.3-174.20.200110.5
122N38.3Very low58.6Low157 Ų157128.9 Ų128.984%0.8473%0.725SS**  trans-114.375.1154.6-78.9-14.9000106.2
123T41.4Very low56.7Low122 Ų122132.6 Ų132.675%0.74873%0.729SS**  trans-55.3133.915611.90000107.4H125T123-H125 PolarHBondContact O-N 2.99Å; T123-H125 VanDerWaalsContact O-N 3.11Å
124P40.2Very low54.8Low117 Ų117134.8 Ų134.876%0.7674%0.742SS**  trans-59.9121.8168.8-0.513.4000106.4E126P124-E126 PolarHBondContact O-N 3.11Å
125H47.3Very low52.7Low184 Ų184141.9 Ų141.985%0.85278%0.782SS**  trans-58.8109.2158.8-87.9-78.8000106.1T123 T127T123-H125 PolarHBondContact O-N 2.99Å; T123-H125 VanDerWaalsContact O-N 3.11Å; H125-T127 VanDerWaalsContact C-N 3.31Å; H125-T127 PolarHBondContact O-N 2.97Å
126E45.3Very low50.4Low178 Ų178144.8 Ų144.883%0.83279%0.791SS**  trans-58.699.9159.5-90.917415600107.1P124 T128P124-E126 PolarHBondContact O-N 3.11Å; E126-T128 VanDerWaalsContact C-N 3.29Å; E126-T128 PolarHBondContact O-N 3.08Å; E126-T128 VanDerWaalsContact O-N 3.08Å
127T46Very low48.3Very low142 Ų142150.8 Ų150.887%0.87181%0.809SS**  trans-66.296.4155.83.80000106.3H125H125-T127 VanDerWaalsContact C-N 3.31Å; H125-T127 PolarHBondContact O-N 2.97Å
128T62.9Low46Very low122 Ų122156.7 Ų156.775%0.74884%0.84SS**  trans-75.5139.3160.4-48.70000107.5E126E126-T128 VanDerWaalsContact C-N 3.29Å; E126-T128 PolarHBondContact O-N 3.08Å; E126-T128 VanDerWaalsContact O-N 3.08Å
129E48.6Very low45.2Very low263 Ų263153.7 Ų153.7100%1.22984%0.837SS**  trans-43.90-179.5-59.5175157.900116.1

Retrieved 129 of 129 residues in 125.9 ms (Link to these results)

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