A0A5K4F5A7_SCHMA Loading...

60S ribosomal protein L18a

AlphaFold DB , UniProt , Accession A0A5K4F5A7, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 176 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
1M80.8Confident91.1Very high32 Ų3260 Ų6016%0.15832%0.32CS..  0123.10166.6-17417600107.6L7 F33 A34 V39 R43 A121 E122M1-L7 HydrophobicContact CE-CD2 3.58Å; M1-F33 WeakPolarHBondContact CE-O 3.39Å; M1-A34 HydrophobicContact CE-CB 4.31Å; M1-V39 HydrophobicContact CB-CG1 4.47Å; M1-V39 HydrophobicContact CE-CG1 4.18Å; M1-V39 HydrophobicContact CG-CG1 3.78Å; M1-V39 HydrophobicContact SD-CG1 4.04Å; M1-R43 HydrophobicContact SD-CG 3.93Å; M1-A121 WeakPolarHBondContact O-CB 3.36Å; M1-E122 PolarHBondContact N-OE1 3.07Å
2R83.2Confident91.7Very high220 Ų22055 Ų5583%0.8329%0.294SS*.  trans-81.7126.7168.1-70.8-176.2179.1177-0.2109.2S4R2-S4 PolarHBondContact O-N 3.22Å; R2-S4 VanDerWaalsContact O-N 3.08Å
3A82.8Confident92.1Very high41 Ų4154.2 Ų54.234%0.33929%0.288SS..  trans-81.874.3170.500000108.7Y110 A121A3-Y110 HydrophobicContact CB-CD1 4.18Å; A3-Y110 HydrophobicContact CB-CG 4.1Å; A3-A121 HydrophobicContact CB-CB 3.77Å
4S85.1Confident92.5Very high69 Ų6950.3 Ų50.348%0.48327%0.268SS..  trans-84.8127.7178.955.40000110.7R2R2-S4 PolarHBondContact O-N 3.22Å; R2-S4 VanDerWaalsContact O-N 3.08Å
5G90.9Very high92.7Very high56 Ų5652.3 Ų52.358%0.57727%0.27SS*.SBendtrans65.2-146.7176.900000113.1
6E93.3Very high92.9Very high125 Ų12554.6 Ų54.658%0.58428%0.277SS*.SBendtrans-89.9134.9173.8-61.7-166.6150.700110.8
7L96.1Very high93Very high3 Ų355.8 Ų55.82%0.01628%0.284CS..  trans-78147.5178.8-63174.8000110.6M1 F33 E103 V106 T107 Y110M1-L7 HydrophobicContact CE-CD2 3.58Å; L7-F33 HydrophobicContact CB-CB 4.43Å; L7-F33 HydrophobicContact CD1-CB 4.27Å; L7-E103 VanDerWaalsContact O-CB 3.24Å; L7-E103 WeakPolarHBondContact O-CB 3.24Å; L7-V106 HydrophobicContact CD1-CG1 3.94Å; L7-T107 PolarHBondContact N-OG1 2.96Å; L7-Y110 HydrophobicContact CD1-CD2 3.32Å; L7-Y110 HydrophobicContact CD1-CE2 3.48Å; L7-Y110 VanDerWaalsContact CD1-CE2 3.48Å; L7-Y110 HydrophobicContact CD1-CG 4.36Å
8K96.4Very high93.2Very high80 Ų8056.2 Ų56.235%0.34829%0.291SS..EExtended strand (participates in β ladder)trans-111.1151173.3-59.2170.5-174.3169.40109.7F10 F33 A34 E103K8-F10 HydrophobicContact CB-CD2 4.41Å; K8-F10 HydrophobicContact CB-CE2 3.74Å; K8-F10 HydrophobicContact CB-CZ 4.26Å; K8-F33 CarbonylContact O-C 3.6Å; K8-F33 WeakPolarHBondContact O-CA 3.13Å; K8-A34 WeakPolarHBondContact CA-O 3.37Å; K8-A34 WeakPolarHBondContact CB-O 3Å; K8-A34 PolarHBondContact N-O 3Å; K8-A34 PolarHBondContact O-N 2.99Å; K8-A34 VanDerWaalsContact O-O 3.11Å; K8-E103 WeakPolarHBondContact CA-OE1 3.25Å
9L97.3Very high93.2Very high6 Ų656.9 Ų56.93%0.03130%0.298CS..EExtended strand (participates in β ladder)trans-93.2125.7177.4177.661.5000109.8R31 F33 R66 I67 E103L9-R31 HydrophobicContact CD1-CB 4Å; L9-F33 HydrophobicContact CB-CD1 4.31Å; L9-F33 HydrophobicContact CB-CE1 4.16Å; L9-F33 HydrophobicContact CD1-CD1 4.07Å; L9-F33 HydrophobicContact CD1-CE1 3.72Å; L9-F33 HydrophobicContact CD1-CE2 4.25Å; L9-F33 HydrophobicContact CD1-CG 4.49Å; L9-F33 HydrophobicContact CD1-CZ 3.81Å; L9-F33 HydrophobicContact CG-CE1 4.35Å; L9-R66 CarbonylContact O-C 3.58Å; L9-R66 WeakPolarHBondContact O-CA 3.32Å; L9-I67 HydrophobicContact CB-CB 4.49Å; L9-I67 HydrophobicContact CD2-CB 3.86Å; L9-I67 HydrophobicContact CD2-CD1 4.03Å; L9-I67 HydrophobicContact CD2-CG2 3.98Å; L9-I67 HydrophobicContact CG-CB 3.93Å; L9-I67 HydrophobicContact CG-CD1 3.99Å; L9-I67 HydrophobicContact CG-CG1 4.43Å; L9-I67 PolarHBondContact O-N 2.96Å; L9-E103 HydrophobicContact CB-CG 3.86Å; L9-E103 PolarHBondContact N-OE1 3.22Å
10F98Very high93.3Very high15 Ų1561.1 Ų61.17%0.06633%0.329CS..EExtended strand (participates in β ladder)trans-116.7137.8175.2-67.6-89.1000111K8 V12 R31 I32 A34 A40 E65 R66K8-F10 HydrophobicContact CB-CD2 4.41Å; K8-F10 HydrophobicContact CB-CE2 3.74Å; K8-F10 HydrophobicContact CB-CZ 4.26Å; F10-V12 HydrophobicContact CB-CG2 4.17Å; F10-R31 CarbonylContact O-C 3.5Å; F10-R31 WeakPolarHBondContact O-CA 3.28Å; F10-I32 PolarHBondContact N-O 3.08Å; F10-I32 PolarHBondContact O-N 3.2Å; F10-A34 HydrophobicContact CD2-CB 4.19Å; F10-A34 HydrophobicContact CE2-CB 4.33Å; F10-A40 HydrophobicContact CB-CB 3.87Å; F10-A40 HydrophobicContact CD1-CB 4.43Å; F10-A40 HydrophobicContact CD2-CB 3.72Å; F10-A40 HydrophobicContact CE2-CB 4.36Å; F10-A40 HydrophobicContact CG-CB 3.75Å; F10-E65 CarbonylContact C-O 3.56Å; F10-E65 WeakPolarHBondContact CA-O 3.44Å; F10-R66 HydrophobicContact CD1-CB 4.22Å; F10-R66 HydrophobicContact CE1-CB 4.05Å
11S97.9Very high93.4Very high13 Ų1367.9 Ų67.99%0.09136%0.355CS..EExtended strand (participates in β ladder)trans-90.1112.5161.1-177.80000107.8R29 C64 E65S11-R29 WeakPolarHBondContact OG-CD 3.25Å; S11-C64 WeakPolarHBondContact O-CA 3.39Å; S11-E65 PolarHBondContact N-O 3.49Å; S11-E65 PolarHBondContact O-N 2.7Å
12V98.2Very high93.9Very high0 Ų070.1 Ų70.10%037%0.366CS..EExtended strand (participates in β ladder)trans-110.9122.5176.1-170.70000108.6F10 R29 M30 I32 A40 F44 I61 S63F10-V12 HydrophobicContact CB-CG2 4.17Å; V12-R29 CarbonylContact O-C 3.56Å; V12-R29 WeakPolarHBondContact O-CA 3.16Å; V12-M30 PolarHBondContact N-O 3.31Å; V12-M30 PolarHBondContact O-N 3.48Å; V12-I32 HydrophobicContact CB-CD1 4.32Å; V12-I32 HydrophobicContact CG2-CD1 4.06Å; V12-I32 HydrophobicContact CG2-CG1 4.42Å; V12-A40 HydrophobicContact CG2-CB 4.22Å; V12-F44 HydrophobicContact CB-CB 4.16Å; V12-F44 HydrophobicContact CB-CD2 3.85Å; V12-F44 HydrophobicContact CB-CG 4.14Å; V12-F44 HydrophobicContact CG1-CB 3.71Å; V12-F44 HydrophobicContact CG1-CD1 4.11Å; V12-F44 HydrophobicContact CG1-CD2 3.67Å; V12-F44 HydrophobicContact CG1-CE2 4.32Å; V12-F44 HydrophobicContact CG1-CG 3.55Å; V12-I61 HydrophobicContact CG1-CD1 4.08Å; V12-I61 HydrophobicContact CG1-CG1 4.39Å; V12-I61 HydrophobicContact CG1-CG2 3.87Å; V12-S63 WeakPolarHBondContact CA-O 3.11Å
13I97.9Very high94.4Very high44 Ų4464 Ų6423%0.22635%0.354CS..EExtended strand (participates in β ladder)trans-112.4128.3177.2-53.4-179.3000108.3P27 Y28 R29 I61 I62 S63I13-P27 HydrophobicContact CG2-CB 4.05Å; I13-Y28 CarbonylContact C-O 3.57Å; I13-Y28 VanDerWaalsContact CA-O 3.3Å; I13-Y28 WeakPolarHBondContact CA-O 3.46Å; I13-R29 HydrophobicContact CD1-CG 4.42Å; I13-R29 HydrophobicContact CG1-CB 4.01Å; I13-R29 HydrophobicContact CG1-CG 3.87Å; I13-I61 CarbonylContact O-C 3.54Å; I13-I61 WeakPolarHBondContact O-CA 3.49Å; I13-I61 WeakPolarHBondContact O-CG2 3.38Å; I13-I62 HydrophobicContact CG2-CB 4.4Å; I13-I62 HydrophobicContact CG2-CD1 4.1Å; I13-I62 PolarHBondContact O-N 2.97Å; I13-S63 WeakPolarHBondContact CD1-OG 3.38Å; I13-S63 PolarHBondContact N-O 3.27Å; I13-S63 PolarHBondContact O-N 2.85Å
14G97.3Very high94.9Very high0 Ų071 Ų710%038%0.377CS..EExtended strand (participates in β ladder)trans-144157.217700000112.4Y28 E60G14-Y28 PolarHBondContact N-O 3.08Å; G14-Y28 PolarHBondContact O-N 3.37Å; G14-E60 CarbonylContact C-O 3.55Å; G14-E60 WeakPolarHBondContact CA-O 3.49Å
15R96Very high95.4Very high80 Ų8068 Ų6830%0.30236%0.356SS..EExtended strand (participates in β ladder)trans-139.9168.1179.863.9175.3-175.3-177.61.6110.4G59 E60 I62R15-G59 CarbonylContact O-C 3.59Å; R15-G59 WeakPolarHBondContact O-CA 3.33Å; R15-E60 HydrophobicContact CG-CG 3.95Å; R15-E60 IonicContact CZ-OE1 3.49Å; R15-E60 PolarHBondContact N-O 3.03Å; R15-E60 IonicContact NE-OE1 2.56Å; R15-E60 PolarHBondContact NE-OE1 3.2Å; R15-E60 IonicContact NH2-OE1 3.77Å; R15-E60 PolarHBondContact NH2-OE1 3Å; R15-E60 PolarHBondContact O-N 2.85Å; R15-I62 HydrophobicContact CB-CD1 4.15Å; R15-I62 HydrophobicContact CG-CD1 3.72Å; R15-I62 HydrophobicContact CG-CG1 3.9Å
16K95.8Very high95.6Very high89 Ų8969.3 Ų69.339%0.38735%0.353SS..EExtended strand (participates in β ladder)trans-68.6155.6165.7-63-173.1-174.1164.20109.3P25 M54K16-P25 HydrophobicContact CB-CB 4Å; K16-P25 HydrophobicContact CB-CG 4.43Å; K16-P25 WeakPolarHBondContact O-CG 3.26Å; K16-M54 HydrophobicContact CG-CE 3.79Å; K16-M54 HydrophobicContact CG-CG 4.19Å
17L94.6Very high95.7Very high75 Ų7567 Ų6739%0.39335%0.349SS..PPolyproline II helixtrans-62.9136167.3-70.9169.8000108.8T19 S58 E60L17-T19 PolarHBondContact O-N 3.03Å; L17-S58 PolarHBondContact N-O 2.99Å; L17-E60 HydrophobicContact CD2-CB 4.18Å; L17-E60 HydrophobicContact CD2-CG 4.19Å
18P95.4Very high95.7Very high63 Ų6370.4 Ų70.441%0.40936%0.362SS..PPolyproline II helixtrans-54134.8172.3-26.936000110.9P25P18-P25 HydrophobicContact CG-CG 4.37Å
19T94.3Very high95.8Very high70 Ų7075.4 Ų75.443%0.42938%0.378SS..BIsolated β-bridgetrans-124.2160.3174.9600000109.6L17 K21 E22L17-T19 PolarHBondContact O-N 3.03Å; T19-K21 PolarHBondContact O-N 3.09Å; T19-K21 VanDerWaalsContact O-N 3.08Å; T19-E22 PolarHBondContact N-O 3.08Å; T19-E22 CarbonylContact O-C 3.53Å; T19-E22 PolarHBondContact O-N 3.42Å; T19-E22 PolarHBondContact OG1-N 2.86Å
20P95Very high95.8Very high140 Ų14076.5 Ų76.591%0.90938%0.384SS*.THydrogen-bonded Turntrans-54.6-30.2175.8-27.535.3000113.6
21K94.4Very high95.8Very high204 Ų20481.8 Ų81.889%0.88740%0.403SS*.THydrogen-bonded Turntrans-78.1-33.9176.4-64.4-174.1178.9-175.70113.5T19T19-K21 PolarHBondContact O-N 3.09Å; T19-K21 VanDerWaalsContact O-N 3.08Å
22E91.5Very high95.7Very high79 Ų7981.4 Ų81.437%0.36940%0.4SS..BIsolated β-bridgetrans-135.584.7-178.4-167.7-178.6-17900109.2T19 P25T19-E22 PolarHBondContact N-O 3.08Å; T19-E22 CarbonylContact O-C 3.53Å; T19-E22 PolarHBondContact O-N 3.42Å; T19-E22 PolarHBondContact OG1-N 2.86Å; E22-P25 HydrophobicContact CG-CB 4.44Å
23P93.9Very high95.7Very high92 Ų9282.3 Ų82.360%0.59740%0.404SS*.SBendtrans-75-24.1-174.725.7-33000113.1P25P23-P25 VanDerWaalsContact C-CD 3.42Å; P23-P25 WeakPolarHBondContact O-CD 3.27Å
24K94.1Very high95.6Very high189 Ų18980.2 Ų80.282%0.82239%0.393SS*.SBendtrans-12170.6179.5-66.2-177.6-178.5176.50111.1
25P94.5Very high95.6Very high6 Ų681 Ų814%0.03940%0.399CS..PPolyproline II helixtrans-66.4139.4-179.124.7-30.4000111.4K16 P18 E22 P23K16-P25 HydrophobicContact CB-CB 4Å; K16-P25 HydrophobicContact CB-CG 4.43Å; K16-P25 WeakPolarHBondContact O-CG 3.26Å; P18-P25 HydrophobicContact CG-CG 4.37Å; E22-P25 HydrophobicContact CG-CB 4.44Å; P23-P25 VanDerWaalsContact C-CD 3.42Å; P23-P25 WeakPolarHBondContact O-CD 3.27Å
26V95.3Very high95.6Very high83 Ų8380.8 Ų80.850%0.50340%0.403SS..PPolyproline II helixtrans-63.5126.9-177.1-1790000110.9Y28V26-Y28 WeakPolarHBondContact O-CD2 3.49Å; V26-Y28 WeakPolarHBondContact O-CE2 3.3Å
27P95.7Very high95.6Very high77 Ų7779 Ų7950%0.540%0.402SS..PPolyproline II helixtrans-76.7139.3173.930.6-33.3000111.4I13 I62I13-P27 HydrophobicContact CG2-CB 4.05Å; P27-I62 HydrophobicContact CB-CD1 3.94Å
28Y97.2Very high95.7Very high73 Ų7380.4 Ų80.429%0.28641%0.414SS..EExtended strand (participates in β ladder)trans-113.5131.4176-63.7-79000110.4I13 G14 V26 I48 K52 M54I13-Y28 CarbonylContact C-O 3.57Å; I13-Y28 VanDerWaalsContact CA-O 3.3Å; I13-Y28 WeakPolarHBondContact CA-O 3.46Å; G14-Y28 PolarHBondContact N-O 3.08Å; G14-Y28 PolarHBondContact O-N 3.37Å; V26-Y28 WeakPolarHBondContact O-CD2 3.49Å; V26-Y28 WeakPolarHBondContact O-CE2 3.3Å; Y28-I48 HydrophobicContact CD2-CD1 4.14Å; Y28-I48 HydrophobicContact CG-CD1 3.99Å; Y28-K52 HydrophobicContact CE1-CD 4.13Å; Y28-K52 HydrophobicContact CE1-CG 4.13Å; Y28-K52 HydrophobicContact CE2-CG 4.27Å; Y28-M54 HydrophobicContact CD2-CE 3.84Å; Y28-M54 HydrophobicContact CE2-CE 4.09Å
29R97.2Very high95.7Very high186 Ų18679.2 Ų79.270%0.70241%0.405SS*.EExtended strand (participates in β ladder)trans-106.2133.7175.7-177.6174.267.2173.9-0.6110.7S11 V12 I13S11-R29 WeakPolarHBondContact OG-CD 3.25Å; V12-R29 CarbonylContact O-C 3.56Å; V12-R29 WeakPolarHBondContact O-CA 3.16Å; I13-R29 HydrophobicContact CD1-CG 4.42Å; I13-R29 HydrophobicContact CG1-CB 4.01Å; I13-R29 HydrophobicContact CG1-CG 3.87Å
30M97.3Very high95.9Very high29 Ų2975.9 Ų75.914%0.14339%0.385CS..EExtended strand (participates in β ladder)trans-126144.2171.3-67-176.4174.500111.4V12 I32 F44 F47 I48 L51V12-M30 PolarHBondContact N-O 3.31Å; V12-M30 PolarHBondContact O-N 3.48Å; M30-I32 HydrophobicContact CB-CD1 4.2Å; M30-I32 HydrophobicContact CB-CG1 3.98Å; M30-F44 HydrophobicContact CB-CD2 4.01Å; M30-F44 HydrophobicContact CB-CE2 4.3Å; M30-F44 HydrophobicContact CG-CD2 4.01Å; M30-F44 HydrophobicContact CG-CE2 3.99Å; M30-F44 HydrophobicContact SD-CD2 3.75Å; M30-F44 HydrophobicContact SD-CE2 4.01Å; M30-F47 HydrophobicContact CE-CB 4.01Å; M30-F47 HydrophobicContact SD-CB 3.73Å; M30-I48 HydrophobicContact CE-CB 4.13Å; M30-I48 HydrophobicContact CE-CD1 3.67Å; M30-L51 HydrophobicContact CE-CD1 3.63Å
31R97.4Very high96Very high126 Ų12673.8 Ų73.848%0.47536%0.361SS..EExtended strand (participates in β ladder)trans-91.8117.2167.7-71177.274.5173.212.3108.1L9 F10 I67 E102L9-R31 HydrophobicContact CD1-CB 4Å; F10-R31 CarbonylContact O-C 3.5Å; F10-R31 WeakPolarHBondContact O-CA 3.28Å; R31-I67 HydrophobicContact CG-CD1 4.38Å; R31-E102 IonicContact CZ-OE1 3.72Å; R31-E102 IonicContact CZ-OE2 2.77Å; R31-E102 IonicContact NH1-OE1 2.68Å; R31-E102 IonicContact NH2-OE1 3.52Å; R31-E102 PolarHBondContact NH2-OE1 3.17Å; R31-E102 IonicContact NH2-OE2 3.95Å; R31-E102 PolarHBondContact NH2-OE2 3Å
32I97.2Very high96.1Very high5 Ų567.8 Ų67.83%0.02635%0.345CS..EExtended strand (participates in β ladder)trans-124.7126.7-173.4-59.9-170.4000109.9F10 V12 M30 A34 A40 R43 F44F10-I32 PolarHBondContact N-O 3.08Å; F10-I32 PolarHBondContact O-N 3.2Å; V12-I32 HydrophobicContact CB-CD1 4.32Å; V12-I32 HydrophobicContact CG2-CD1 4.06Å; V12-I32 HydrophobicContact CG2-CG1 4.42Å; M30-I32 HydrophobicContact CB-CD1 4.2Å; M30-I32 HydrophobicContact CB-CG1 3.98Å; I32-A34 HydrophobicContact CG2-CB 4.4Å; I32-A40 HydrophobicContact CG2-CB 4.3Å; I32-R43 HydrophobicContact CD1-CB 4.41Å; I32-R43 HydrophobicContact CG2-CB 3.83Å; I32-F44 HydrophobicContact CD1-CB 3.47Å; I32-F44 VanDerWaalsContact CD1-CB 3.47Å; I32-F44 HydrophobicContact CD1-CD2 4.23Å; I32-F44 HydrophobicContact CD1-CG 4.37Å; I32-F44 VanDerWaalsContact CD1-N 3.28Å
33F97.3Very high96.3Very high18 Ų1865 Ų658%0.07933%0.331CS..EExtended strand (participates in β ladder)trans-88.5120172-60.3-84.3000109.3M1 L7 K8 L9 E102 V106 V126 V129M1-F33 WeakPolarHBondContact CE-O 3.39Å; L7-F33 HydrophobicContact CB-CB 4.43Å; L7-F33 HydrophobicContact CD1-CB 4.27Å; K8-F33 CarbonylContact O-C 3.6Å; K8-F33 WeakPolarHBondContact O-CA 3.13Å; L9-F33 HydrophobicContact CB-CD1 4.31Å; L9-F33 HydrophobicContact CB-CE1 4.16Å; L9-F33 HydrophobicContact CD1-CD1 4.07Å; L9-F33 HydrophobicContact CD1-CE1 3.72Å; L9-F33 HydrophobicContact CD1-CE2 4.25Å; L9-F33 HydrophobicContact CD1-CG 4.49Å; L9-F33 HydrophobicContact CD1-CZ 3.81Å; L9-F33 HydrophobicContact CG-CE1 4.35Å; F33-E102 HydrophobicContact CE1-CB 4.11Å; F33-E102 HydrophobicContact CZ-CB 4.36Å; F33-V106 HydrophobicContact CB-CG1 3.93Å; F33-V106 HydrophobicContact CD1-CB 3.97Å; F33-V106 HydrophobicContact CD1-CG1 4.17Å; F33-V106 HydrophobicContact CD1-CG2 3.89Å; F33-V106 HydrophobicContact CD2-CB 4.46Å; F33-V106 HydrophobicContact CD2-CG1 4.08Å; F33-V106 HydrophobicContact CD2-CG2 3.97Å; F33-V106 HydrophobicContact CE1-CB 4.21Å; F33-V106 HydrophobicContact CE1-CG2 3.68Å; F33-V106 HydrophobicContact CE2-CG2 3.79Å; F33-V106 HydrophobicContact CG-CB 4.09Å; F33-V106 HydrophobicContact CG-CG1 3.79Å; F33-V106 HydrophobicContact CG-CG2 4.03Å; F33-V106 HydrophobicContact CZ-CG2 3.64Å; F33-V126 HydrophobicContact CD2-CG1 4.45Å; F33-V126 HydrophobicContact CE2-CG1 4.31Å; F33-V129 HydrophobicContact CE2-CB 4.49Å; F33-V129 HydrophobicContact CE2-CG2 3.71Å; F33-V129 HydrophobicContact CZ-CB 4.28Å; F33-V129 HydrophobicContact CZ-CG2 3.86Å
34A96.9Very high96.5Very high0 Ų060.6 Ų60.60%030%0.302CS..EExtended strand (participates in β ladder)trans-154154.2-177.200000112.3M1 K8 F10 I32 N36 V39 A40M1-A34 HydrophobicContact CE-CB 4.31Å; K8-A34 WeakPolarHBondContact CA-O 3.37Å; K8-A34 WeakPolarHBondContact CB-O 3Å; K8-A34 PolarHBondContact N-O 3Å; K8-A34 PolarHBondContact O-N 2.99Å; K8-A34 VanDerWaalsContact O-O 3.11Å; F10-A34 HydrophobicContact CD2-CB 4.19Å; F10-A34 HydrophobicContact CE2-CB 4.33Å; I32-A34 HydrophobicContact CG2-CB 4.4Å; A34-N36 VanDerWaalsContact C-N 3.33Å; A34-V39 HydrophobicContact CB-CB 4.18Å; A34-V39 HydrophobicContact CB-CG1 4.03Å; A34-A40 HydrophobicContact CB-CB 3.85Å
35P96.4Very high96.6Very high18 Ų1853.2 Ų53.212%0.11727%0.269CS..SBendtrans-69-31.617727.2-35000112.8V39P35-V39 HydrophobicContact CG-CB 4.29Å; P35-V39 HydrophobicContact CG-CG1 4.41Å; P35-V39 HydrophobicContact CG-CG2 4.18Å
36N95.9Very high96.7Very high74 Ų7456.2 Ų56.240%0.39628%0.281SS..SBendtrans-148.3171179.864.332.7000111.7A34 V38 V39 A40A34-N36 VanDerWaalsContact C-N 3.33Å; N36-V38 VanDerWaalsContact C-N 3.34Å; N36-V38 PolarHBondContact O-N 3.02Å; N36-V38 PolarHBondContact OD1-N 2.83Å; N36-V39 PolarHBondContact O-N 3.35Å; N36-V39 WeakPolarHBondContact OD1-CB 3.46Å; N36-V39 VanDerWaalsContact OD1-CG2 3.29Å; N36-V39 WeakPolarHBondContact OD1-CG2 3.49Å; N36-V39 PolarHBondContact OD1-N 2.83Å; N36-A40 PolarHBondContact O-N 3.47Å
37S96.4Very high96.7Very high52 Ų5254.2 Ų54.236%0.36427%0.265SS..Hα-helixtrans-65.3-33.3-177.757.20000113.2A40 K41S37-A40 WeakPolarHBondContact O-CB 3.17Å; S37-A40 PolarHBondContact O-N 3.23Å; S37-K41 WeakPolarHBondContact O-CG 3.25Å; S37-K41 PolarHBondContact O-N 3.12Å
38V96.5Very high96.7Very high105 Ų10550.6 Ų50.664%0.63624%0.242SC*.Hα-helixtrans-62.6-48178.4-178.80000110.6N36 A40 K41 S42N36-V38 VanDerWaalsContact C-N 3.34Å; N36-V38 PolarHBondContact O-N 3.02Å; N36-V38 PolarHBondContact OD1-N 2.83Å; V38-A40 VanDerWaalsContact C-N 3.33Å; V38-K41 PolarHBondContact O-N 3.08Å; V38-S42 PolarHBondContact O-N 3.18Å
39V96.2Very high96.7Very high38 Ų3854.3 Ų54.323%0.2326%0.255CS..Hα-helixtrans-66.6-37176.3176.90000110.7M1 A34 P35 N36 S42 R43M1-V39 HydrophobicContact CB-CG1 4.47Å; M1-V39 HydrophobicContact CE-CG1 4.18Å; M1-V39 HydrophobicContact CG-CG1 3.78Å; M1-V39 HydrophobicContact SD-CG1 4.04Å; A34-V39 HydrophobicContact CB-CB 4.18Å; A34-V39 HydrophobicContact CB-CG1 4.03Å; P35-V39 HydrophobicContact CG-CB 4.29Å; P35-V39 HydrophobicContact CG-CG1 4.41Å; P35-V39 HydrophobicContact CG-CG2 4.18Å; N36-V39 PolarHBondContact O-N 3.35Å; N36-V39 WeakPolarHBondContact OD1-CB 3.46Å; N36-V39 VanDerWaalsContact OD1-CG2 3.29Å; N36-V39 WeakPolarHBondContact OD1-CG2 3.49Å; N36-V39 PolarHBondContact OD1-N 2.83Å; V39-S42 PolarHBondContact O-N 3.37Å; V39-R43 HydrophobicContact CG1-CG 4.29Å; V39-R43 WeakPolarHBondContact O-CG 3.42Å; V39-R43 PolarHBondContact O-N 2.99Å
40A97.1Very high96.5Very high0 Ų050.6 Ų50.60%024%0.244CC..Hα-helixtrans-59-49.8175.200000111.9F10 V12 I32 A34 N36 S37 V38 S42 R43 F44F10-A40 HydrophobicContact CB-CB 3.87Å; F10-A40 HydrophobicContact CD1-CB 4.43Å; F10-A40 HydrophobicContact CD2-CB 3.72Å; F10-A40 HydrophobicContact CE2-CB 4.36Å; F10-A40 HydrophobicContact CG-CB 3.75Å; V12-A40 HydrophobicContact CG2-CB 4.22Å; I32-A40 HydrophobicContact CG2-CB 4.3Å; A34-A40 HydrophobicContact CB-CB 3.85Å; N36-A40 PolarHBondContact O-N 3.47Å; S37-A40 WeakPolarHBondContact O-CB 3.17Å; S37-A40 PolarHBondContact O-N 3.23Å; V38-A40 VanDerWaalsContact C-N 3.33Å; A40-S42 VanDerWaalsContact C-N 3.33Å; A40-S42 PolarHBondContact O-N 3.47Å; A40-R43 PolarHBondContact O-N 2.77Å; A40-F44 PolarHBondContact O-N 2.66Å
41K97.4Very high96.4Very high96 Ų9655 Ų5542%0.41727%0.268SS..Hα-helixtrans-59-42.8175.4-68.7-178.8-177.9-178.40111.8S37 V38 F44 W45 I61 C64S37-K41 WeakPolarHBondContact O-CG 3.25Å; S37-K41 PolarHBondContact O-N 3.12Å; V38-K41 PolarHBondContact O-N 3.08Å; K41-F44 WeakPolarHBondContact O-CB 3.43Å; K41-F44 PolarHBondContact O-N 2.88Å; K41-W45 PolarHBondContact O-N 2.94Å; K41-I61 HydrophobicContact CB-CD1 3.6Å; K41-I61 HydrophobicContact CD-CD1 4.18Å; K41-I61 HydrophobicContact CG-CD1 3.61Å; K41-C64 HydrophobicContact CG-CB 4.24Å
42S96.4Very high96.2Very high78 Ų7854 Ų5455%0.54527%0.267SS..Hα-helixtrans-62-44.6176.8179.70000112.4V38 V39 A40 F44 W45 Y46V38-S42 PolarHBondContact O-N 3.18Å; V39-S42 PolarHBondContact O-N 3.37Å; A40-S42 VanDerWaalsContact C-N 3.33Å; A40-S42 PolarHBondContact O-N 3.47Å; S42-F44 PolarHBondContact O-N 2.9Å; S42-W45 PolarHBondContact O-N 2.82Å; S42-Y46 PolarHBondContact O-N 2.95Å; S42-Y46 VanDerWaalsContact O-N 3.11Å
43R96.1Very high96Very high19 Ų1962.9 Ų62.97%0.07231%0.305CS..Hα-helixtrans-67.9-33.4176.7-69.6-58.6-66.9173.4-11.9113M1 I32 V39 A40 Y46 F47M1-R43 HydrophobicContact SD-CG 3.93Å; I32-R43 HydrophobicContact CD1-CB 4.41Å; I32-R43 HydrophobicContact CG2-CB 3.83Å; V39-R43 HydrophobicContact CG1-CG 4.29Å; V39-R43 WeakPolarHBondContact O-CG 3.42Å; V39-R43 PolarHBondContact O-N 2.99Å; A40-R43 PolarHBondContact O-N 2.77Å; R43-Y46 VanDerWaalsContact NH1-CD1 3.26Å; R43-Y46 WeakPolarHBondContact O-CB 3.29Å; R43-Y46 PolarHBondContact O-N 2.74Å; R43-F47 HydrophobicContact CB-CE2 4.37Å; R43-F47 VanDerWaalsContact NH2-CZ 3.3Å; R43-F47 WeakPolarHBondContact O-CD2 3.48Å; R43-F47 PolarHBondContact O-N 2.76Å
44F97.2Very high95.8Very high0 Ų062 Ų620%030%0.302CS..Hα-helixtrans-57.2-52172.5176-98.3000110.7V12 M30 I32 A40 K41 S42 Y46 F47 I48 I61V12-F44 HydrophobicContact CB-CB 4.16Å; V12-F44 HydrophobicContact CB-CD2 3.85Å; V12-F44 HydrophobicContact CB-CG 4.14Å; V12-F44 HydrophobicContact CG1-CB 3.71Å; V12-F44 HydrophobicContact CG1-CD1 4.11Å; V12-F44 HydrophobicContact CG1-CD2 3.67Å; V12-F44 HydrophobicContact CG1-CE2 4.32Å; V12-F44 HydrophobicContact CG1-CG 3.55Å; M30-F44 HydrophobicContact CB-CD2 4.01Å; M30-F44 HydrophobicContact CB-CE2 4.3Å; M30-F44 HydrophobicContact CG-CD2 4.01Å; M30-F44 HydrophobicContact CG-CE2 3.99Å; M30-F44 HydrophobicContact SD-CD2 3.75Å; M30-F44 HydrophobicContact SD-CE2 4.01Å; I32-F44 HydrophobicContact CD1-CB 3.47Å; I32-F44 VanDerWaalsContact CD1-CB 3.47Å; I32-F44 HydrophobicContact CD1-CD2 4.23Å; I32-F44 HydrophobicContact CD1-CG 4.37Å; I32-F44 VanDerWaalsContact CD1-N 3.28Å; A40-F44 PolarHBondContact O-N 2.66Å; K41-F44 WeakPolarHBondContact O-CB 3.43Å; K41-F44 PolarHBondContact O-N 2.88Å; S42-F44 PolarHBondContact O-N 2.9Å; F44-Y46 VanDerWaalsContact C-N 3.26Å; F44-Y46 PolarHBondContact O-N 3.36Å; F44-F47 PolarHBondContact O-N 2.88Å; F44-F47 VanDerWaalsContact O-N 3.15Å; F44-I48 HydrophobicContact CD1-CG2 4.33Å; F44-I48 HydrophobicContact CE1-CB 4.33Å; F44-I48 HydrophobicContact CE1-CG2 4.07Å; F44-I48 HydrophobicContact CZ-CB 4.29Å; F44-I48 HydrophobicContact CZ-CD1 4.41Å; F44-I48 HydrophobicContact CZ-CG1 4.25Å; F44-I48 WeakPolarHBondContact O-CB 3.18Å; F44-I48 WeakPolarHBondContact O-CG2 3.3Å; F44-I48 PolarHBondContact O-N 2.88Å; F44-I61 HydrophobicContact CD1-CD1 4.04Å; F44-I61 HydrophobicContact CD1-CG1 4Å; F44-I61 HydrophobicContact CE1-CG1 4.22Å
45W97.4Very high95.8Very high34 Ų3468.7 Ų68.713%0.12933%0.331CS..Hα-helixtrans-59.6-37.5178.1-73120.9000112.8K41 S42 I48 R49 M54 K55 K56 G59 I61K41-W45 PolarHBondContact O-N 2.94Å; S42-W45 PolarHBondContact O-N 2.82Å; W45-I48 HydrophobicContact CE3-CG2 3.65Å; W45-I48 HydrophobicContact CZ3-CG2 4.06Å; W45-R49 VanDerWaalsContact O-CB 3.26Å; W45-R49 WeakPolarHBondContact O-CB 3.06Å; W45-R49 PolarHBondContact O-N 2.78Å; W45-M54 HydrophobicContact CH2-SD 4.21Å; W45-M54 HydrophobicContact CZ3-CG 3.94Å; W45-M54 HydrophobicContact CZ3-SD 3.73Å; W45-K55 WeakPolarHBondContact CZ3-O 3.48Å; W45-K56 HydrophobicContact CD2-CB 3.8Å; W45-K56 HydrophobicContact CD2-CG 4.29Å; W45-K56 HydrophobicContact CE3-CB 4.23Å; W45-K56 HydrophobicContact CG-CB 4.05Å; W45-K56 HydrophobicContact CG-CG 4.48Å; W45-K56 HydrophobicContact CZ2-CB 4.34Å; W45-K56 HydrophobicContact CZ2-CG 4.27Å; W45-G59 VanDerWaalsContact CH2-C 3.41Å; W45-I61 HydrophobicContact CZ2-CD1 4.31Å; W45-I61 HydrophobicContact CZ2-CG1 3.7Å
46Y95.9Very high95.7Very high69 Ų6975.4 Ų75.427%0.27136%0.358SS..Hα-helixtrans-60.8-48.1174.7176.3-94.2000112.4S42 R43 F44 K50S42-Y46 PolarHBondContact O-N 2.95Å; S42-Y46 VanDerWaalsContact O-N 3.11Å; R43-Y46 VanDerWaalsContact NH1-CD1 3.26Å; R43-Y46 WeakPolarHBondContact O-CB 3.29Å; R43-Y46 PolarHBondContact O-N 2.74Å; F44-Y46 VanDerWaalsContact C-N 3.26Å; F44-Y46 PolarHBondContact O-N 3.36Å; Y46-K50 HydrophobicContact CE1-CD 4.34Å; Y46-K50 VanDerWaalsContact CZ-CE 3.42Å; Y46-K50 WeakPolarHBondContact OH-CE 3.43Å; Y46-K50 PolarHBondContact OH-NZ 3.3Å
47F96.1Very high95.7Very high41 Ų4175.3 Ų75.318%0.1838%0.375CS..Hα-helixtrans-74.5-44.2-177.5-70-57.8000112.8M30 R43 F44 R49 K50 L51 Q125M30-F47 HydrophobicContact CE-CB 4.01Å; M30-F47 HydrophobicContact SD-CB 3.73Å; R43-F47 HydrophobicContact CB-CE2 4.37Å; R43-F47 VanDerWaalsContact NH2-CZ 3.3Å; R43-F47 WeakPolarHBondContact O-CD2 3.48Å; R43-F47 PolarHBondContact O-N 2.76Å; F44-F47 PolarHBondContact O-N 2.88Å; F44-F47 VanDerWaalsContact O-N 3.15Å; F47-R49 PolarHBondContact O-N 2.82Å; F47-K50 PolarHBondContact O-N 2.87Å; F47-K50 VanDerWaalsContact O-N 3.08Å; F47-L51 PolarHBondContact O-N 2.88Å; F47-L51 VanDerWaalsContact O-N 3.08Å; F47-Q125 HydrophobicContact CE1-CB 4.25Å; F47-Q125 HydrophobicContact CE1-CG 4.16Å
48I96.4Very high95.6Very high2 Ų275.7 Ų75.71%0.0138%0.377CS..Hα-helixtrans-65.1-30.7-178.7-15970.5000111.9Y28 M30 F44 W45 K50 L51 K52 K53 M54Y28-I48 HydrophobicContact CD2-CD1 4.14Å; Y28-I48 HydrophobicContact CG-CD1 3.99Å; M30-I48 HydrophobicContact CE-CB 4.13Å; M30-I48 HydrophobicContact CE-CD1 3.67Å; F44-I48 HydrophobicContact CD1-CG2 4.33Å; F44-I48 HydrophobicContact CE1-CB 4.33Å; F44-I48 HydrophobicContact CE1-CG2 4.07Å; F44-I48 HydrophobicContact CZ-CB 4.29Å; F44-I48 HydrophobicContact CZ-CD1 4.41Å; F44-I48 HydrophobicContact CZ-CG1 4.25Å; F44-I48 WeakPolarHBondContact O-CB 3.18Å; F44-I48 WeakPolarHBondContact O-CG2 3.3Å; F44-I48 PolarHBondContact O-N 2.88Å; W45-I48 HydrophobicContact CE3-CG2 3.65Å; W45-I48 HydrophobicContact CZ3-CG2 4.06Å; I48-K50 VanDerWaalsContact C-N 3.33Å; I48-K50 PolarHBondContact O-N 3.15Å; I48-L51 PolarHBondContact O-N 3.07Å; I48-K52 HydrophobicContact CD1-CB 4.23Å; I48-K52 HydrophobicContact CD1-CG 4.15Å; I48-K52 HydrophobicContact CG1-CB 4.4Å; I48-K52 PolarHBondContact O-N 3.42Å; I48-K53 PolarHBondContact O-N 3.26Å; I48-M54 HydrophobicContact CG1-CB 4.03Å; I48-M54 HydrophobicContact CG1-CE 4.17Å; I48-M54 HydrophobicContact CG1-SD 4Å; I48-M54 HydrophobicContact CG2-CB 4.27Å; I48-M54 HydrophobicContact CG2-SD 4.44Å
49R96.2Very high95.5Very high151 Ų15171 Ų7157%0.5735%0.35SS*.Hα-helixtrans-61.2-42.7172.8-170.5-179.689.4179.97.9111.7W45 F47 K53 M54W45-R49 VanDerWaalsContact O-CB 3.26Å; W45-R49 WeakPolarHBondContact O-CB 3.06Å; W45-R49 PolarHBondContact O-N 2.78Å; F47-R49 PolarHBondContact O-N 2.82Å; R49-K53 WeakPolarHBondContact O-CA 3.46Å; R49-K53 PolarHBondContact O-N 3.11Å; R49-M54 VanDerWaalsContact CA-O 3.27Å; R49-M54 WeakPolarHBondContact CA-O 3.49Å
50K93.5Very high95.5Very high108 Ų10872.3 Ų72.347%0.4735%0.354SS..Hα-helixtrans-70.6-35.7178.8-69.1-171.6178.2-168.10112.6Y46 F47 I48Y46-K50 HydrophobicContact CE1-CD 4.34Å; Y46-K50 VanDerWaalsContact CZ-CE 3.42Å; Y46-K50 WeakPolarHBondContact OH-CE 3.43Å; Y46-K50 PolarHBondContact OH-NZ 3.3Å; F47-K50 PolarHBondContact O-N 2.87Å; F47-K50 VanDerWaalsContact O-N 3.08Å; I48-K50 VanDerWaalsContact C-N 3.33Å; I48-K50 PolarHBondContact O-N 3.15Å
51L94.8Very high95.5Very high122 Ų12274.2 Ų74.264%0.63936%0.364SS*.Hα-helixtrans-89.9-39.5-173-66.9171.8000114.1M30 F47 I48M30-L51 HydrophobicContact CE-CD1 3.63Å; F47-L51 PolarHBondContact O-N 2.88Å; F47-L51 VanDerWaalsContact O-N 3.08Å; I48-L51 PolarHBondContact O-N 3.07Å
52K93.8Very high95.5Very high105 Ų10574 Ų7446%0.45737%0.366SS..Hα-helixtrans-128.811.1-170.6-65.3-65.7-178.6176.10113.9Y28 I48 M54Y28-K52 HydrophobicContact CE1-CD 4.13Å; Y28-K52 HydrophobicContact CE1-CG 4.13Å; Y28-K52 HydrophobicContact CE2-CG 4.27Å; I48-K52 HydrophobicContact CD1-CB 4.23Å; I48-K52 HydrophobicContact CD1-CG 4.15Å; I48-K52 HydrophobicContact CG1-CB 4.4Å; I48-K52 PolarHBondContact O-N 3.42Å; K52-M54 PolarHBondContact O-N 3.04Å
53K92.5Very high95.5Very high190 Ų19071.5 Ų71.583%0.82635%0.349SS*.  trans52.525.9-178.1-58.7-177.3179.2179.90113.5I48 R49I48-K53 PolarHBondContact O-N 3.26Å; R49-K53 WeakPolarHBondContact O-CA 3.46Å; R49-K53 PolarHBondContact O-N 3.11Å
54M93.5Very high95.6Very high1 Ų172.2 Ų72.21%0.00536%0.356CS..  trans-87.5136.2177.6-171.8-165.5-65.800109.9K16 Y28 W45 I48 R49 K52K16-M54 HydrophobicContact CG-CE 3.79Å; K16-M54 HydrophobicContact CG-CG 4.19Å; Y28-M54 HydrophobicContact CD2-CE 3.84Å; Y28-M54 HydrophobicContact CE2-CE 4.09Å; W45-M54 HydrophobicContact CH2-SD 4.21Å; W45-M54 HydrophobicContact CZ3-CG 3.94Å; W45-M54 HydrophobicContact CZ3-SD 3.73Å; I48-M54 HydrophobicContact CG1-CB 4.03Å; I48-M54 HydrophobicContact CG1-CE 4.17Å; I48-M54 HydrophobicContact CG1-SD 4Å; I48-M54 HydrophobicContact CG2-CB 4.27Å; I48-M54 HydrophobicContact CG2-SD 4.44Å; R49-M54 VanDerWaalsContact CA-O 3.27Å; R49-M54 WeakPolarHBondContact CA-O 3.49Å; K52-M54 PolarHBondContact O-N 3.04Å
55K95.5Very high95.6Very high140 Ų14078.1 Ų78.161%0.60938%0.384SS*.  trans-115.8157.4178.6-63.3-179.7-177176.60109.9W45 G57 S58 G59W45-K55 WeakPolarHBondContact CZ3-O 3.48Å; K55-G57 PolarHBondContact O-N 3.06Å; K55-S58 PolarHBondContact N-OG 3.19Å; K55-S58 PolarHBondContact O-N 3.36Å; K55-S58 VanDerWaalsContact O-N 3.08Å; K55-S58 PolarHBondContact O-OG 3.06Å; K55-G59 PolarHBondContact O-N 3.2Å; K55-G59 VanDerWaalsContact O-N 3.12Å
56K95.3Very high95.6Very high158 Ų15881.4 Ų81.469%0.68740%0.396SS*.THydrogen-bonded Turntrans-57-32.7176.7-177-177.9175.3-167.10113.4W45W45-K56 HydrophobicContact CD2-CB 3.8Å; W45-K56 HydrophobicContact CD2-CG 4.29Å; W45-K56 HydrophobicContact CE3-CB 4.23Å; W45-K56 HydrophobicContact CG-CB 4.05Å; W45-K56 HydrophobicContact CG-CG 4.48Å; W45-K56 HydrophobicContact CZ2-CB 4.34Å; W45-K56 HydrophobicContact CZ2-CG 4.27Å
57G95.2Very high95.7Very high73 Ų7380.8 Ų80.875%0.75340%0.397SS*.THydrogen-bonded Turntrans-77.1-21178.400000114.5K55K55-G57 PolarHBondContact O-N 3.06Å
58S93.6Very high95.7Very high59 Ų5984.6 Ų84.641%0.41342%0.415SS..SBendtrans-111.110.8-17960.60000113.2L17 K55L17-S58 PolarHBondContact N-O 2.99Å; K55-S58 PolarHBondContact N-OG 3.19Å; K55-S58 PolarHBondContact O-N 3.36Å; K55-S58 VanDerWaalsContact O-N 3.08Å; K55-S58 PolarHBondContact O-OG 3.06Å
59G95.5Very high95.5Very high7 Ų786.8 Ų86.87%0.07243%0.429CS..EExtended strand (participates in β ladder)trans-150.8167.4-177.700000111.5R15 W45 K55R15-G59 CarbonylContact O-C 3.59Å; R15-G59 WeakPolarHBondContact O-CA 3.33Å; W45-G59 VanDerWaalsContact CH2-C 3.41Å; K55-G59 PolarHBondContact O-N 3.2Å; K55-G59 VanDerWaalsContact O-N 3.12Å
60E96.3Very high95.4Very high65 Ų6591.5 Ų91.530%0.30445%0.447SS..EExtended strand (participates in β ladder)trans-131.5152.3179.960.6-178.5173.100110.7G14 R15 L17G14-E60 CarbonylContact C-O 3.55Å; G14-E60 WeakPolarHBondContact CA-O 3.49Å; R15-E60 HydrophobicContact CG-CG 3.95Å; R15-E60 IonicContact CZ-OE1 3.49Å; R15-E60 PolarHBondContact N-O 3.03Å; R15-E60 IonicContact NE-OE1 2.56Å; R15-E60 PolarHBondContact NE-OE1 3.2Å; R15-E60 IonicContact NH2-OE1 3.77Å; R15-E60 PolarHBondContact NH2-OE1 3Å; R15-E60 PolarHBondContact O-N 2.85Å; L17-E60 HydrophobicContact CD2-CB 4.18Å; L17-E60 HydrophobicContact CD2-CG 4.19Å
61I97.5Very high95.4Very high41 Ų4192.4 Ų92.421%0.2145%0.451CS..EExtended strand (participates in β ladder)trans-92.8116.9169.1-67179.4000106.6V12 I13 K41 F44 W45 S63 C64V12-I61 HydrophobicContact CG1-CD1 4.08Å; V12-I61 HydrophobicContact CG1-CG1 4.39Å; V12-I61 HydrophobicContact CG1-CG2 3.87Å; I13-I61 CarbonylContact O-C 3.54Å; I13-I61 WeakPolarHBondContact O-CA 3.49Å; I13-I61 WeakPolarHBondContact O-CG2 3.38Å; K41-I61 HydrophobicContact CB-CD1 3.6Å; K41-I61 HydrophobicContact CD-CD1 4.18Å; K41-I61 HydrophobicContact CG-CD1 3.61Å; F44-I61 HydrophobicContact CD1-CD1 4.04Å; F44-I61 HydrophobicContact CD1-CG1 4Å; F44-I61 HydrophobicContact CE1-CG1 4.22Å; W45-I61 HydrophobicContact CZ2-CD1 4.31Å; W45-I61 HydrophobicContact CZ2-CG1 3.7Å; I61-S63 WeakPolarHBondContact CG2-O 3.49Å; I61-C64 HydrophobicContact CG2-CB 4.3Å
62I96.3Very high95.4Very high90 Ų9089.5 Ų89.546%0.46244%0.439SS..EExtended strand (participates in β ladder)trans-73.8-48.4178.9-52.8176.4000109.6I13 R15 P27I13-I62 HydrophobicContact CG2-CB 4.4Å; I13-I62 HydrophobicContact CG2-CD1 4.1Å; I13-I62 PolarHBondContact O-N 2.97Å; R15-I62 HydrophobicContact CB-CD1 4.15Å; R15-I62 HydrophobicContact CG-CD1 3.72Å; R15-I62 HydrophobicContact CG-CG1 3.9Å; P27-I62 HydrophobicContact CB-CD1 3.94Å
63S97.3Very high95.6Very high27 Ų2792.5 Ų92.519%0.18946%0.459CS..EExtended strand (participates in β ladder)trans-146151.2-179.672.70000112.1V12 I13 I61V12-S63 WeakPolarHBondContact CA-O 3.11Å; I13-S63 WeakPolarHBondContact CD1-OG 3.38Å; I13-S63 PolarHBondContact N-O 3.27Å; I13-S63 PolarHBondContact O-N 2.85Å; I61-S63 WeakPolarHBondContact CG2-O 3.49Å
64C97.9Very high95.8Very high33 Ų3387.8 Ų87.822%0.22344%0.441CS..EExtended strand (participates in β ladder)trans-144.291.8176.3176.80000108.5S11 K41 I61S11-C64 WeakPolarHBondContact O-CA 3.39Å; K41-C64 HydrophobicContact CG-CB 4.24Å; I61-C64 HydrophobicContact CG2-CB 4.3Å
65E98Very high95.9Very high125 Ų12591 Ų9158%0.58446%0.461SS*.EExtended strand (participates in β ladder)trans-114146.6-172.7-69.4170.7-165.200110.9F10 S11F10-E65 CarbonylContact C-O 3.56Å; F10-E65 WeakPolarHBondContact CA-O 3.44Å; S11-E65 PolarHBondContact N-O 3.49Å; S11-E65 PolarHBondContact O-N 2.7Å
66R97.3Very high96Very high102 Ų10286 Ų8639%0.38544%0.439SS..EExtended strand (participates in β ladder)trans-79.3129.4172.6-175.1179.5179.8-170.3-1.4109.6L9 F10 E103L9-R66 CarbonylContact O-C 3.58Å; L9-R66 WeakPolarHBondContact O-CA 3.32Å; F10-R66 HydrophobicContact CD1-CB 4.22Å; F10-R66 HydrophobicContact CE1-CB 4.05Å; R66-E103 IonicContact NE-OE1 3.69Å; R66-E103 IonicContact NH2-OE1 3.71Å; R66-E103 IonicContact NH2-OE2 3.66Å
67I96.9Very high96.1Very high56 Ų5678.8 Ų78.829%0.28741%0.408SS..PPolyproline II helixtrans-92.4121.3172-58.4165.7000108.3L9 R31L9-I67 HydrophobicContact CB-CB 4.49Å; L9-I67 HydrophobicContact CD2-CB 3.86Å; L9-I67 HydrophobicContact CD2-CD1 4.03Å; L9-I67 HydrophobicContact CD2-CG2 3.98Å; L9-I67 HydrophobicContact CG-CB 3.93Å; L9-I67 HydrophobicContact CG-CD1 3.99Å; L9-I67 HydrophobicContact CG-CG1 4.43Å; L9-I67 PolarHBondContact O-N 2.96Å; R31-I67 HydrophobicContact CG-CD1 4.38Å
68H95.6Very high96.3Very high122 Ų12275.5 Ų75.557%0.56537%0.373SS*.PPolyproline II helixtrans-87.9145.6174.3-61.892.3000111R70H68-R70 PolarHBondContact O-N 3.43Å
69P93.9Very high96.5Very high47 Ų4772.7 Ų72.731%0.30535%0.354SS..PPolyproline II helixtrans-64.2129.9177.426.8-35.2000111K71 P72 T101P69-K71 VanDerWaalsContact C-N 3.35Å; P69-K71 PolarHBondContact O-N 2.8Å; P69-P72 HydrophobicContact CB-CB 4.4Å; P69-P72 HydrophobicContact CG-CB 3.93Å; P69-T101 HydrophobicContact CB-CG2 3.81Å; P69-T101 HydrophobicContact CG-CG2 3.72Å
70R92.4Very high96.6Very high250 Ų25072.4 Ų72.494%0.94335%0.35SS*.SBendtrans-63.6-35.6179.9-66.9-177.8178.6178.9-2.7114.1H68H68-R70 PolarHBondContact O-N 3.43Å
71K94.4Very high96.7Very high128 Ų12873.5 Ų73.556%0.55735%0.352SS*.  trans-134.677.9-178.5-65.5-173.6178-174.10109.4P69 L73 M74 K76P69-K71 VanDerWaalsContact C-N 3.35Å; P69-K71 PolarHBondContact O-N 2.8Å; K71-L73 VanDerWaalsContact C-N 3.31Å; K71-L73 PolarHBondContact O-N 2.98Å; K71-M74 HydrophobicContact CB-CB 4.21Å; K71-M74 HydrophobicContact CB-CE 4.49Å; K71-M74 HydrophobicContact CD-CE 3.8Å; K71-M74 HydrophobicContact CD-SD 4.21Å; K71-K76 PolarHBondContact O-NZ 2.83Å
72P95.6Very high96.7Very high60 Ų6071.6 Ų71.639%0.3934%0.342SS..THydrogen-bonded Turntrans-72.8-21.4-174.526.9-32.1000113.7P69 L100 T101P69-P72 HydrophobicContact CB-CB 4.4Å; P69-P72 HydrophobicContact CG-CB 3.93Å; P72-L100 WeakPolarHBondContact O-CB 3.49Å; P72-T101 HydrophobicContact CB-CG2 4.33Å
73L96.8Very high96.8Very high168 Ų16871.8 Ų71.888%0.8834%0.337SS*.THydrogen-bonded Turntrans-88.9-7.3-177.7-57177.9000113.3K71K71-L73 VanDerWaalsContact C-N 3.31Å; K71-L73 PolarHBondContact O-N 2.98Å
74M96.4Very high96.8Very high91 Ų9171.8 Ų71.845%0.44833%0.333SS..SBendtrans-100.1122.9-177.5-169.7175.476.400110.4K71 K76K71-M74 HydrophobicContact CB-CB 4.21Å; K71-M74 HydrophobicContact CB-CE 4.49Å; K71-M74 HydrophobicContact CD-CE 3.8Å; K71-M74 HydrophobicContact CD-SD 4.21Å; M74-K76 HydrophobicContact CE-CD 4.19Å; M74-K76 HydrophobicContact CE-CG 4.14Å; M74-K76 PolarHBondContact O-NZ 2.92Å
75V96.6Very high96.7Very high69 Ų6972.6 Ų72.642%0.41834%0.335SS..  trans-66.8133.2173.5-178.90000109.6R98 L100V75-R98 HydrophobicContact CG1-CG 3.58Å; V75-L100 HydrophobicContact CB-CD2 4.44Å; V75-L100 HydrophobicContact CG2-CD2 3.66Å
76K97.3Very high96.6Very high34 Ų3468.8 Ų68.815%0.14832%0.322CS..EExtended strand (participates in β ladder)trans-130.8159.4178.3-56.7-175.8-156.277.70110K71 M74 F78 R98 A99 L100K71-K76 PolarHBondContact O-NZ 2.83Å; M74-K76 HydrophobicContact CE-CD 4.19Å; M74-K76 HydrophobicContact CE-CG 4.14Å; M74-K76 PolarHBondContact O-NZ 2.92Å; K76-F78 HydrophobicContact CB-CD2 4.44Å; K76-F78 HydrophobicContact CB-CE1 4.49Å; K76-F78 HydrophobicContact CB-CE2 3.86Å; K76-F78 HydrophobicContact CB-CZ 3.9Å; K76-F78 HydrophobicContact CD-CZ 4.06Å; K76-F78 HydrophobicContact CG-CZ 4.47Å; K76-R98 WeakPolarHBondContact O-CA 3.47Å; K76-A99 PolarHBondContact N-O 2.94Å; K76-A99 PolarHBondContact O-N 2.94Å; K76-L100 PolarHBondContact NZ-O 2.84Å
77N98Very high96.5Very high8 Ų874.9 Ų74.94%0.04335%0.345CS..EExtended strand (participates in β ladder)trans-98.1132.5166.2-53.1-41.7000107.6Y97 R98 S131 L132 C137 V142 H146N77-Y97 CarbonylContact C-O 3.51Å; N77-Y97 WeakPolarHBondContact CA-O 3.41Å; N77-R98 PolarHBondContact OD1-NH1 3.47Å; N77-R98 VanDerWaalsContact OD1-NH1 3.16Å; N77-S131 CarbonylContact O-C 3.46Å; N77-S131 WeakPolarHBondContact O-CA 3.21Å; N77-L132 HydrophobicContact CB-CB 4.47Å; N77-L132 PolarHBondContact O-N 3.37Å; N77-C137 WeakPolarHBondContact CB-SG 3.24Å; N77-C137 PolarHBondContact ND2-SG 2.96Å; N77-C137 VanDerWaalsContact ND2-SG 3.37Å; N77-V142 HydrophobicContact CB-CG1 4.37Å; N77-H146 PolarHBondContact ND2-CE1 2.94Å; N77-H146 PolarHBondContact ND2-NE2 2.82Å; N77-H146 PolarHBondContact OD1-NE2 3.3Å
78F98.1Very high96.4Very high4 Ų478 Ų782%0.01837%0.373CS..EExtended strand (participates in β ladder)trans-116.1124.9178.9-67.8-76.9000110.1K76 E96 Y97 A99 E102 A105 V129 E130K76-F78 HydrophobicContact CB-CD2 4.44Å; K76-F78 HydrophobicContact CB-CE1 4.49Å; K76-F78 HydrophobicContact CB-CE2 3.86Å; K76-F78 HydrophobicContact CB-CZ 3.9Å; K76-F78 HydrophobicContact CD-CZ 4.06Å; K76-F78 HydrophobicContact CG-CZ 4.47Å; F78-E96 CarbonylContact O-C 3.59Å; F78-E96 VanDerWaalsContact O-CA 3.24Å; F78-E96 WeakPolarHBondContact O-CA 3.46Å; F78-Y97 PolarHBondContact N-O 3.29Å; F78-Y97 PolarHBondContact O-N 2.89Å; F78-A99 HydrophobicContact CD2-CB 4.18Å; F78-A99 HydrophobicContact CE2-CB 4.21Å; F78-A99 WeakPolarHBondContact CE2-O 3.26Å; F78-E102 HydrophobicContact CD1-CG 3.93Å; F78-E102 HydrophobicContact CE1-CB 4.29Å; F78-E102 HydrophobicContact CE1-CG 3.32Å; F78-E102 HydrophobicContact CZ-CG 3.86Å; F78-A105 HydrophobicContact CB-CB 3.94Å; F78-A105 HydrophobicContact CD2-CB 3.58Å; F78-A105 HydrophobicContact CE2-CB 4.28Å; F78-A105 HydrophobicContact CG-CB 3.89Å; F78-V129 HydrophobicContact CD1-CG1 4.2Å; F78-E130 CarbonylContact C-O 3.59Å; F78-E130 VanDerWaalsContact CA-O 3.26Å; F78-E130 WeakPolarHBondContact CA-O 3.42Å
79G98.2Very high96.5Very high0 Ų073.6 Ų73.60%036%0.36CS..EExtended strand (participates in β ladder)trans-87.8126.9165.600000109.5W81 V129 E130G79-W81 WeakPolarHBondContact O-CZ3 3.48Å; G79-V129 WeakPolarHBondContact O-CA 3.44Å; G79-E130 PolarHBondContact N-O 3.23Å; G79-E130 PolarHBondContact O-N 3.26Å
80I98.4Very high96.6Very high0 Ų075 Ų750%037%0.367CS..EExtended strand (participates in β ladder)trans-121.4120.2177.9-49.5179.4000109.5Y94 K95 Y97 A105 V106 L109 V126 K128 V129I80-Y94 WeakPolarHBondContact O-CA 3.18Å; I80-K95 PolarHBondContact N-O 3.03Å; I80-K95 PolarHBondContact O-N 3.45Å; I80-Y97 HydrophobicContact CD1-CD2 3.52Å; I80-Y97 HydrophobicContact CD1-CE2 3.88Å; I80-Y97 HydrophobicContact CG1-CD2 4.14Å; I80-A105 HydrophobicContact CD1-CB 4.3Å; I80-V106 HydrophobicContact CD1-CG2 4.01Å; I80-L109 HydrophobicContact CB-CD2 4.38Å; I80-L109 HydrophobicContact CD1-CB 4.14Å; I80-L109 HydrophobicContact CD1-CD2 4.17Å; I80-L109 HydrophobicContact CG2-CD2 3.62Å; I80-V126 HydrophobicContact CG2-CG1 3.91Å; I80-K128 WeakPolarHBondContact CA-O 3.42Å; I80-V129 HydrophobicContact CG1-CG1 4.24Å; I80-V129 HydrophobicContact CG1-CG2 4.2Å; I80-V129 HydrophobicContact CG2-CG2 4.01Å
81W98.4Very high96.9Very high88 Ų8867.1 Ų67.133%0.33334%0.341SS..EExtended strand (participates in β ladder)trans-93.2120.7169.1-65.7-100.8000108G79 Y94 I127 K128 E130G79-W81 WeakPolarHBondContact O-CZ3 3.48Å; W81-Y94 AromaticContact CD2-CD2 3.89Å; W81-Y94 HydrophobicContact CD2-CD2 3.89Å; W81-Y94 HydrophobicContact CD2-CE2 4.23Å; W81-Y94 AromaticContact CE2-CD2 3.6Å; W81-Y94 AromaticContact CE2-CE2 3.81Å; W81-Y94 HydrophobicContact CE3-CD2 4.48Å; W81-Y94 HydrophobicContact CE3-CE2 4.47Å; W81-Y94 HydrophobicContact CG-CD2 4.18Å; W81-Y94 HydrophobicContact CH2-CE2 4.01Å; W81-Y94 HydrophobicContact CZ2-CD2 4Å; W81-Y94 AromaticContact CZ2-CE2 3.71Å; W81-Y94 HydrophobicContact CZ2-CE2 3.71Å; W81-Y94 HydrophobicContact CZ3-CE2 4.37Å; W81-Y94 AromaticContact NE1-CD2 3.68Å; W81-I127 HydrophobicContact CB-CB 4.46Å; W81-I127 PolarHBondContact O-N 3.2Å; W81-K128 HydrophobicContact CB-CB 4.32Å; W81-K128 HydrophobicContact CD2-CB 4.36Å; W81-K128 HydrophobicContact CE3-CB 3.79Å; W81-K128 HydrophobicContact CE3-CD 3.98Å; W81-K128 HydrophobicContact CE3-CG 4.02Å; W81-K128 HydrophobicContact CZ3-CB 4.49Å; W81-K128 HydrophobicContact CZ3-CD 3.98Å; W81-K128 HydrophobicContact CZ3-CG 4.24Å; W81-K128 PolarHBondContact N-O 2.8Å; W81-K128 PolarHBondContact O-N 3.28Å; W81-E130 HydrophobicContact CH2-CB 4.3Å; W81-E130 HydrophobicContact CZ3-CB 3.8Å
82L97.7Very high97.1Very high2 Ų267.1 Ų67.11%0.0135%0.347CS..EExtended strand (participates in β ladder)trans-126.3153.7177.165.7137.6000111Y84 N92 M93 K95 L109 M113 I124 Q125L82-Y84 HydrophobicContact CD1-CD1 4.13Å; L82-N92 WeakPolarHBondContact O-CA 3.29Å; L82-M93 HydrophobicContact CD1-CB 4.24Å; L82-M93 HydrophobicContact CD2-CB 4.01Å; L82-M93 WeakPolarHBondContact CD2-O 3.37Å; L82-M93 HydrophobicContact CG-CB 3.89Å; L82-M93 PolarHBondContact N-O 3.09Å; L82-M93 PolarHBondContact O-N 3.12Å; L82-K95 HydrophobicContact CD2-CB 4.41Å; L82-K95 HydrophobicContact CD2-CG 4.23Å; L82-L109 HydrophobicContact CB-CD2 4.5Å; L82-L109 HydrophobicContact CD1-CD1 4.33Å; L82-L109 HydrophobicContact CD2-CD1 3.69Å; L82-L109 HydrophobicContact CD2-CD2 4.26Å; L82-M113 HydrophobicContact CD1-CE 3.86Å; L82-M113 HydrophobicContact CD1-CG 4.19Å; L82-M113 HydrophobicContact CD1-SD 3.89Å; L82-I124 HydrophobicContact CD1-CG2 4.25Å; L82-Q125 CarbonylContact C-O 3.54Å; L82-Q125 VanDerWaalsContact CA-O 3.28Å; L82-Q125 WeakPolarHBondContact CA-O 3.49Å
83R97.6Very high97.1Very high94 Ų9467.1 Ų67.136%0.35534%0.343SS..EExtended strand (participates in β ladder)trans-112.8136.9160.3175.7179.7177.9170.56.9107.3T90 H91 Q125 I127R83-T90 PolarHBondContact NH2-OG1 3.28Å; R83-H91 CarbonylContact C-O 3.05Å; R83-H91 WeakPolarHBondContact CA-O 3.43Å; R83-Q125 HydrophobicContact CB-CB 4.41Å; R83-Q125 PolarHBondContact N-O 2.95Å; R83-Q125 PolarHBondContact O-N 2.69Å; R83-I127 HydrophobicContact CB-CD1 4.03Å
84Y97.3Very high97.2Very high26 Ų2660.7 Ų60.710%0.10231%0.307CS..EExtended strand (participates in β ladder)trans-136.9150.6173.178.1-77.1000111.9L82 T90 H91 M93 M113 H117 A119 S123L82-Y84 HydrophobicContact CD1-CD1 4.13Å; Y84-T90 WeakPolarHBondContact O-CA 3.46Å; Y84-H91 HydrophobicContact CD1-CB 4.29Å; Y84-H91 HydrophobicContact CE1-CB 3.72Å; Y84-H91 PolarHBondContact N-O 3.04Å; Y84-H91 PolarHBondContact O-N 3.42Å; Y84-M93 HydrophobicContact CE1-CB 4.42Å; Y84-M93 HydrophobicContact CE1-SD 4.33Å; Y84-M113 HydrophobicContact CD1-CE 3.66Å; Y84-M113 HydrophobicContact CD2-CE 3.78Å; Y84-M113 HydrophobicContact CE1-CE 3.96Å; Y84-M113 HydrophobicContact CE2-CE 4.08Å; Y84-M113 HydrophobicContact CG-CE 3.55Å; Y84-H117 HydrophobicContact CE2-CB 4.49Å; Y84-A119 HydrophobicContact CD2-CB 4.2Å; Y84-S123 VanDerWaalsContact CA-O 3.25Å; Y84-S123 WeakPolarHBondContact CA-O 3.5Å
85D96.6Very high97.3Very high51 Ų5156.8 Ų56.827%0.27329%0.287SS..EExtended strand (participates in β ladder)trans-92.1117.3174.3-52.2-33.9000108.4T90 S123D85-T90 WeakPolarHBondContact OD1-CB 3.18Å; D85-T90 WeakPolarHBondContact OD1-CG2 3.34Å; D85-S123 PolarHBondContact N-O 3.3Å; D85-S123 VanDerWaalsContact N-O 3.07Å
86S95.2Very high97.4Very high44 Ų4453.5 Ų53.531%0.30827%0.268SS..  trans-82.2-175.8168.280.10000109.9S88 G89 H91S86-S88 PolarHBondContact O-N 3.35Å; S86-S88 PolarHBondContact OG-N 2.91Å; S86-G89 PolarHBondContact N-O 3.26Å; S86-G89 PolarHBondContact OG-N 2.89Å; S86-G89 VanDerWaalsContact OG-N 3.09Å; S86-G89 PolarHBondContact OG-O 3.5Å; S86-H91 PolarHBondContact OG-CD2 3.25Å; S86-H91 PolarHBondContact OG-NE2 3.17Å
87R94.6Very high97.4Very high230 Ų23052.3 Ų52.387%0.86826%0.262SS*.SBendtrans-70.2-24.3174.2-63-179.3-177.2179.8-2.1112.8
88S95.6Very high97.4Very high123 Ų12356.7 Ų56.786%0.8628%0.278SS*.SBendtrans-108.7-18.2-172.4-51.30000113.4S86S86-S88 PolarHBondContact O-N 3.35Å; S86-S88 PolarHBondContact OG-N 2.91Å
89G96.4Very high97.3Very high29 Ų2956.8 Ų56.830%0.29928%0.28SS..  trans176.9-174.6-176.400000113.6S86S86-G89 PolarHBondContact N-O 3.26Å; S86-G89 PolarHBondContact OG-N 2.89Å; S86-G89 VanDerWaalsContact OG-N 3.09Å; S86-G89 PolarHBondContact OG-O 3.5Å
90T97.5Very high97.3Very high75 Ų7560.2 Ų60.246%0.4630%0.298SS..EExtended strand (participates in β ladder)trans-105128.1-18077.40000110.3R83 Y84 D85R83-T90 PolarHBondContact NH2-OG1 3.28Å; Y84-T90 WeakPolarHBondContact O-CA 3.46Å; D85-T90 WeakPolarHBondContact OD1-CB 3.18Å; D85-T90 WeakPolarHBondContact OD1-CG2 3.34Å
91H97.9Very high97.2Very high85 Ų8561.2 Ų61.239%0.39430%0.304SS..EExtended strand (participates in β ladder)trans-124.2144.5-175.1-55.2-86.2000111.5R83 Y84 S86R83-H91 CarbonylContact C-O 3.05Å; R83-H91 WeakPolarHBondContact CA-O 3.43Å; Y84-H91 HydrophobicContact CD1-CB 4.29Å; Y84-H91 HydrophobicContact CE1-CB 3.72Å; Y84-H91 PolarHBondContact N-O 3.04Å; Y84-H91 PolarHBondContact O-N 3.42Å; S86-H91 PolarHBondContact OG-CD2 3.25Å; S86-H91 PolarHBondContact OG-NE2 3.17Å
92N98Very high97.1Very high128 Ų12859.1 Ų59.168%0.68430%0.298SS*.EExtended strand (participates in β ladder)trans-92.3144.3170.8-63.5-41.8000109.6L82L82-N92 WeakPolarHBondContact O-CA 3.29Å
93M97.5Very high97.1Very high60 Ų6060.1 Ų60.130%0.29630%0.302SS..EExtended strand (participates in β ladder)trans-145.1145.6178.8-155.2174.5-150.300110.9L82 Y84 K95 M113L82-M93 HydrophobicContact CD1-CB 4.24Å; L82-M93 HydrophobicContact CD2-CB 4.01Å; L82-M93 WeakPolarHBondContact CD2-O 3.37Å; L82-M93 HydrophobicContact CG-CB 3.89Å; L82-M93 PolarHBondContact N-O 3.09Å; L82-M93 PolarHBondContact O-N 3.12Å; Y84-M93 HydrophobicContact CE1-CB 4.42Å; Y84-M93 HydrophobicContact CE1-SD 4.33Å; M93-K95 HydrophobicContact CG-CG 4.31Å; M93-K95 HydrophobicContact SD-CD 4.32Å; M93-K95 WeakPolarHBondContact SD-CE 3.4Å; M93-K95 HydrophobicContact SD-CG 4.27Å; M93-M113 HydrophobicContact SD-SD 4.17Å
94Y97.9Very high97Very high34 Ų3457.6 Ų57.613%0.13330%0.296CS..EExtended strand (participates in β ladder)trans-116.5122.3170.5170.9-102.3000109I80 W81 E96 L132 R139I80-Y94 WeakPolarHBondContact O-CA 3.18Å; W81-Y94 AromaticContact CD2-CD2 3.89Å; W81-Y94 HydrophobicContact CD2-CD2 3.89Å; W81-Y94 HydrophobicContact CD2-CE2 4.23Å; W81-Y94 AromaticContact CE2-CD2 3.6Å; W81-Y94 AromaticContact CE2-CE2 3.81Å; W81-Y94 HydrophobicContact CE3-CD2 4.48Å; W81-Y94 HydrophobicContact CE3-CE2 4.47Å; W81-Y94 HydrophobicContact CG-CD2 4.18Å; W81-Y94 HydrophobicContact CH2-CE2 4.01Å; W81-Y94 HydrophobicContact CZ2-CD2 4Å; W81-Y94 AromaticContact CZ2-CE2 3.71Å; W81-Y94 HydrophobicContact CZ2-CE2 3.71Å; W81-Y94 HydrophobicContact CZ3-CE2 4.37Å; W81-Y94 AromaticContact NE1-CD2 3.68Å; Y94-E96 HydrophobicContact CE1-CG 3.7Å; Y94-E96 WeakPolarHBondContact CE1-OE1 3.31Å; Y94-E96 VanDerWaalsContact OH-CG 3.3Å; Y94-E96 WeakPolarHBondContact OH-CG 3.39Å; Y94-E96 PolarHBondContact OH-OE1 2.78Å; Y94-L132 WeakPolarHBondContact OH-CD1 3.33Å; Y94-R139 PolarHBondContact O-NH2 3.24Å
95K98Very high97Very high8 Ų856.4 Ų56.44%0.03529%0.291CS..EExtended strand (participates in β ladder)trans-126150.5177.9-70.1-161.2178.9-171.10110.9I80 L82 M93 Y97 L109 E112 M113I80-K95 PolarHBondContact N-O 3.03Å; I80-K95 PolarHBondContact O-N 3.45Å; L82-K95 HydrophobicContact CD2-CB 4.41Å; L82-K95 HydrophobicContact CD2-CG 4.23Å; M93-K95 HydrophobicContact CG-CG 4.31Å; M93-K95 HydrophobicContact SD-CD 4.32Å; M93-K95 WeakPolarHBondContact SD-CE 3.4Å; M93-K95 HydrophobicContact SD-CG 4.27Å; K95-Y97 HydrophobicContact CB-CE2 3.68Å; K95-Y97 HydrophobicContact CD-CE2 4.49Å; K95-Y97 WeakPolarHBondContact CD-OH 3.45Å; K95-L109 HydrophobicContact CB-CD1 4.49Å; K95-L109 HydrophobicContact CD-CD1 3.99Å; K95-E112 WeakPolarHBondContact CE-OE1 3.48Å; K95-E112 IonicContact NZ-OE1 3.19Å; K95-E112 PolarHBondContact NZ-OE1 2.76Å; K95-M113 HydrophobicContact CD-SD 4.34Å; K95-M113 PolarHBondContact NZ-SD 3.21Å
96E98.4Very high97.1Very high0 Ų054 Ų540%028%0.278CS..EExtended strand (participates in β ladder)trans-116.3141.3176.3-63.9176.3-175.600110.1F78 Y94 L132 C137 R138 R139 Y141 V142F78-E96 CarbonylContact O-C 3.59Å; F78-E96 VanDerWaalsContact O-CA 3.24Å; F78-E96 WeakPolarHBondContact O-CA 3.46Å; Y94-E96 HydrophobicContact CE1-CG 3.7Å; Y94-E96 WeakPolarHBondContact CE1-OE1 3.31Å; Y94-E96 VanDerWaalsContact OH-CG 3.3Å; Y94-E96 WeakPolarHBondContact OH-CG 3.39Å; Y94-E96 PolarHBondContact OH-OE1 2.78Å; E96-L132 HydrophobicContact CG-CD1 4.36Å; E96-C137 WeakPolarHBondContact OE2-CA 3.22Å; E96-R138 VanDerWaalsContact CD-N 3.3Å; E96-R138 PolarHBondContact OE1-N 3.04Å; E96-R138 PolarHBondContact OE2-N 2.76Å; E96-R139 HydrophobicContact CB-CB 4.16Å; E96-R139 HydrophobicContact CB-CG 3.82Å; E96-R139 HydrophobicContact CG-CB 4.45Å; E96-R139 HydrophobicContact CG-CG 3.79Å; E96-R139 WeakPolarHBondContact OE2-CB 3.47Å; E96-R139 PolarHBondContact OE2-N 3.31Å; E96-Y141 PolarHBondContact N-OH 3.37Å; E96-Y141 VanDerWaalsContact O-CE2 3.25Å; E96-Y141 WeakPolarHBondContact O-CE2 3.45Å; E96-Y141 PolarHBondContact O-OH 3.35Å; E96-V142 HydrophobicContact CB-CG2 3.78Å
97Y98.3Very high97.2Very high10 Ų1052.1 Ų52.14%0.03927%0.265CS..EExtended strand (participates in β ladder)trans-133.6137.3177.8-66.1-83000110.3N77 F78 I80 K95 Q108 L109 E112N77-Y97 CarbonylContact C-O 3.51Å; N77-Y97 WeakPolarHBondContact CA-O 3.41Å; F78-Y97 PolarHBondContact N-O 3.29Å; F78-Y97 PolarHBondContact O-N 2.89Å; I80-Y97 HydrophobicContact CD1-CD2 3.52Å; I80-Y97 HydrophobicContact CD1-CE2 3.88Å; I80-Y97 HydrophobicContact CG1-CD2 4.14Å; K95-Y97 HydrophobicContact CB-CE2 3.68Å; K95-Y97 HydrophobicContact CD-CE2 4.49Å; K95-Y97 WeakPolarHBondContact CD-OH 3.45Å; Y97-Q108 HydrophobicContact CD1-CB 3.77Å; Y97-Q108 HydrophobicContact CE1-CB 3.99Å; Y97-L109 HydrophobicContact CD2-CB 4.47Å; Y97-L109 HydrophobicContact CE2-CB 3.66Å; Y97-L109 HydrophobicContact CE2-CD1 3.84Å; Y97-L109 HydrophobicContact CE2-CG 4.31Å; Y97-L109 VanDerWaalsContact CZ-CA 3.5Å; Y97-L109 WeakPolarHBondContact OH-CA 3.45Å; Y97-L109 WeakPolarHBondContact OH-CD1 3.26Å; Y97-E112 HydrophobicContact CE1-CB 4.49Å; Y97-E112 WeakPolarHBondContact CE1-OE2 3.43Å; Y97-E112 VanDerWaalsContact OH-CD 3.24Å; Y97-E112 PolarHBondContact OH-OE2 3.1Å
98R97.7Very high97.3Very high99 Ų9944 Ų4437%0.37424%0.237SC..EExtended strand (participates in β ladder)trans-96.8112.1170.2-173.4171.4175.178.5-4.9108.6V75 K76 N77V75-R98 HydrophobicContact CG1-CG 3.58Å; K76-R98 WeakPolarHBondContact O-CA 3.47Å; N77-R98 PolarHBondContact OD1-NH1 3.47Å; N77-R98 VanDerWaalsContact OD1-NH1 3.16Å
99A97.1Very high97.4Very high7 Ų738.1 Ų38.16%0.05820%0.196CC..EExtended strand (participates in β ladder)trans-150.7165.4-175.300000111.8K76 F78 N104 A105K76-A99 PolarHBondContact N-O 2.94Å; K76-A99 PolarHBondContact O-N 2.94Å; F78-A99 HydrophobicContact CD2-CB 4.18Å; F78-A99 HydrophobicContact CE2-CB 4.21Å; F78-A99 WeakPolarHBondContact CE2-O 3.26Å; A99-N104 HydrophobicContact CB-CB 4.45Å; A99-A105 HydrophobicContact CB-CB 4.01Å
100L96.8Very high97.4Very high71 Ų7137.8 Ų37.837%0.37219%0.186SC..SBendtrans-75.9-40.8176.1-70.6174.3000112.4P72 V75 K76P72-L100 WeakPolarHBondContact O-CB 3.49Å; V75-L100 HydrophobicContact CB-CD2 4.44Å; V75-L100 HydrophobicContact CG2-CD2 3.66Å; K76-L100 PolarHBondContact NZ-O 2.84Å
101T97.1Very high97.4Very high22 Ų2240.9 Ų40.914%0.13519%0.189CC..SBendtrans-129154.3-17466.30000111.4P69 P72 E103 N104 A105P69-T101 HydrophobicContact CB-CG2 3.81Å; P69-T101 HydrophobicContact CG-CG2 3.72Å; P72-T101 HydrophobicContact CB-CG2 4.33Å; T101-E103 VanDerWaalsContact C-N 3.28Å; T101-E103 PolarHBondContact O-N 2.89Å; T101-N104 PolarHBondContact O-N 2.83Å; T101-N104 VanDerWaalsContact OG1-CB 3.32Å; T101-N104 WeakPolarHBondContact OG1-CB 3.4Å; T101-N104 PolarHBondContact OG1-N 2.77Å; T101-A105 PolarHBondContact O-N 2.77Å
102E96.9Very high97.3Very high43 Ų4338.1 Ų38.120%0.20118%0.177CC..Hα-helixtrans-62.9-37.8174.4-68.3-178.9-168.800112R31 F33 F78 N104 A105 V106 V129R31-E102 IonicContact CZ-OE1 3.72Å; R31-E102 IonicContact CZ-OE2 2.77Å; R31-E102 IonicContact NH1-OE1 2.68Å; R31-E102 IonicContact NH2-OE1 3.52Å; R31-E102 PolarHBondContact NH2-OE1 3.17Å; R31-E102 IonicContact NH2-OE2 3.95Å; R31-E102 PolarHBondContact NH2-OE2 3Å; F33-E102 HydrophobicContact CE1-CB 4.11Å; F33-E102 HydrophobicContact CZ-CB 4.36Å; F78-E102 HydrophobicContact CD1-CG 3.93Å; F78-E102 HydrophobicContact CE1-CB 4.29Å; F78-E102 HydrophobicContact CE1-CG 3.32Å; F78-E102 HydrophobicContact CZ-CG 3.86Å; E102-N104 VanDerWaalsContact C-N 3.34Å; E102-N104 PolarHBondContact O-N 2.92Å; E102-A105 PolarHBondContact O-N 2.96Å; E102-V106 WeakPolarHBondContact O-CG2 3.37Å; E102-V106 PolarHBondContact O-N 3.29Å; E102-V129 HydrophobicContact CB-CG1 4.36Å; E102-V129 HydrophobicContact CG-CG1 4.16Å
103E96.7Very high97.3Very high23 Ų2332 Ų3211%0.10714%0.144CC..Hα-helixtrans-53.3-49.4174.5-73.9-179.515800111.6L7 K8 L9 R66 T101 T107L7-E103 VanDerWaalsContact O-CB 3.24Å; L7-E103 WeakPolarHBondContact O-CB 3.24Å; K8-E103 WeakPolarHBondContact CA-OE1 3.25Å; L9-E103 HydrophobicContact CB-CG 3.86Å; L9-E103 PolarHBondContact N-OE1 3.22Å; R66-E103 IonicContact NE-OE1 3.69Å; R66-E103 IonicContact NH2-OE1 3.71Å; R66-E103 IonicContact NH2-OE2 3.66Å; T101-E103 VanDerWaalsContact C-N 3.28Å; T101-E103 PolarHBondContact O-N 2.89Å; E103-T107 WeakPolarHBondContact O-CB 3.02Å; E103-T107 PolarHBondContact O-N 2.56Å; E103-T107 PolarHBondContact O-OG1 3.49Å
104N96.1Very high97.2Very high42 Ų4230.7 Ų30.723%0.22515%0.146CC..Hα-helixtrans-68.9-42.8178.1-171-11.8000111.2A99 T101 E102 V106 T107 Q108A99-N104 HydrophobicContact CB-CB 4.45Å; T101-N104 PolarHBondContact O-N 2.83Å; T101-N104 VanDerWaalsContact OG1-CB 3.32Å; T101-N104 WeakPolarHBondContact OG1-CB 3.4Å; T101-N104 PolarHBondContact OG1-N 2.77Å; E102-N104 VanDerWaalsContact C-N 3.34Å; E102-N104 PolarHBondContact O-N 2.92Å; N104-V106 VanDerWaalsContact C-N 3.34Å; N104-V106 PolarHBondContact O-N 2.81Å; N104-T107 WeakPolarHBondContact O-CB 3.22Å; N104-T107 PolarHBondContact O-N 2.56Å; N104-T107 VanDerWaalsContact O-N 3.12Å; N104-Q108 WeakPolarHBondContact O-CG 3.34Å; N104-Q108 PolarHBondContact O-N 3.2Å; N104-Q108 PolarHBondContact OD1-NE2 3.38Å
105A97.5Very high97.2Very high0 Ų033 Ų330%017%0.172CC..Hα-helixtrans-56.9-45.3176.300000112.4F78 I80 A99 T101 E102 Q108 L109F78-A105 HydrophobicContact CB-CB 3.94Å; F78-A105 HydrophobicContact CD2-CB 3.58Å; F78-A105 HydrophobicContact CE2-CB 4.28Å; F78-A105 HydrophobicContact CG-CB 3.89Å; I80-A105 HydrophobicContact CD1-CB 4.3Å; A99-A105 HydrophobicContact CB-CB 4.01Å; T101-A105 PolarHBondContact O-N 2.77Å; E102-A105 PolarHBondContact O-N 2.96Å; A105-Q108 PolarHBondContact O-N 2.77Å; A105-L109 PolarHBondContact O-N 3.49Å
106V97.4Very high97.1Very high0 Ų040.6 Ų40.60%020%0.2CC..Hα-helixtrans-70.5-35.2176.91770000111.4L7 F33 I80 E102 N104 Q108 L109 Y110 V126 V129L7-V106 HydrophobicContact CD1-CG1 3.94Å; F33-V106 HydrophobicContact CB-CG1 3.93Å; F33-V106 HydrophobicContact CD1-CB 3.97Å; F33-V106 HydrophobicContact CD1-CG1 4.17Å; F33-V106 HydrophobicContact CD1-CG2 3.89Å; F33-V106 HydrophobicContact CD2-CB 4.46Å; F33-V106 HydrophobicContact CD2-CG1 4.08Å; F33-V106 HydrophobicContact CD2-CG2 3.97Å; F33-V106 HydrophobicContact CE1-CB 4.21Å; F33-V106 HydrophobicContact CE1-CG2 3.68Å; F33-V106 HydrophobicContact CE2-CG2 3.79Å; F33-V106 HydrophobicContact CG-CB 4.09Å; F33-V106 HydrophobicContact CG-CG1 3.79Å; F33-V106 HydrophobicContact CG-CG2 4.03Å; F33-V106 HydrophobicContact CZ-CG2 3.64Å; I80-V106 HydrophobicContact CD1-CG2 4.01Å; E102-V106 WeakPolarHBondContact O-CG2 3.37Å; E102-V106 PolarHBondContact O-N 3.29Å; N104-V106 VanDerWaalsContact C-N 3.34Å; N104-V106 PolarHBondContact O-N 2.81Å; V106-Q108 VanDerWaalsContact C-N 3.34Å; V106-Q108 PolarHBondContact O-N 2.96Å; V106-L109 WeakPolarHBondContact O-CB 3.37Å; V106-L109 PolarHBondContact O-N 3.02Å; V106-Y110 HydrophobicContact CG1-CD2 3.82Å; V106-Y110 HydrophobicContact CG1-CE2 3.63Å; V106-Y110 VanDerWaalsContact O-CD2 3.26Å; V106-Y110 WeakPolarHBondContact O-CD2 3.44Å; V106-Y110 PolarHBondContact O-N 2.68Å; V106-V126 HydrophobicContact CG1-CG2 4.16Å; V106-V129 HydrophobicContact CG2-CG2 3.74Å
107T97.4Very high97Very high5 Ų544.2 Ų44.23%0.03122%0.217CC..Hα-helixtrans-61.5-43.8173.5-580000111.1L7 E103 N104 L109 Y110 R111L7-T107 PolarHBondContact N-OG1 2.96Å; E103-T107 WeakPolarHBondContact O-CB 3.02Å; E103-T107 PolarHBondContact O-N 2.56Å; E103-T107 PolarHBondContact O-OG1 3.49Å; N104-T107 WeakPolarHBondContact O-CB 3.22Å; N104-T107 PolarHBondContact O-N 2.56Å; N104-T107 VanDerWaalsContact O-N 3.12Å; T107-L109 VanDerWaalsContact C-N 3.33Å; T107-L109 PolarHBondContact O-N 3.36Å; T107-Y110 PolarHBondContact O-N 2.87Å; T107-R111 VanDerWaalsContact CG2-CZ 3.48Å; T107-R111 WeakPolarHBondContact O-CG 3.33Å; T107-R111 PolarHBondContact O-N 3.18Å; T107-R111 VanDerWaalsContact O-N 3.12Å
108Q97Very high96.9Very high60 Ų6053.1 Ų53.128%0.2825%0.251SS..Hα-helixtrans-61.7-40.6173.2-69.8177.936.100111.7Y97 N104 A105 V106 Y110 R111 E112Y97-Q108 HydrophobicContact CD1-CB 3.77Å; Y97-Q108 HydrophobicContact CE1-CB 3.99Å; N104-Q108 WeakPolarHBondContact O-CG 3.34Å; N104-Q108 PolarHBondContact O-N 3.2Å; N104-Q108 PolarHBondContact OD1-NE2 3.38Å; A105-Q108 PolarHBondContact O-N 2.77Å; V106-Q108 VanDerWaalsContact C-N 3.34Å; V106-Q108 PolarHBondContact O-N 2.96Å; Q108-Y110 PolarHBondContact O-N 3.23Å; Q108-R111 PolarHBondContact O-N 3.44Å; Q108-E112 WeakPolarHBondContact O-CB 3.41Å; Q108-E112 PolarHBondContact O-N 2.84Å
109L97.5Very high96.9Very high0 Ų048.9 Ų48.90%024%0.236CC..Hα-helixtrans-55.5-49.9173.7171.468.5000112.2I80 L82 K95 Y97 A105 V106 T107 R111 E112 M113 V126I80-L109 HydrophobicContact CB-CD2 4.38Å; I80-L109 HydrophobicContact CD1-CB 4.14Å; I80-L109 HydrophobicContact CD1-CD2 4.17Å; I80-L109 HydrophobicContact CG2-CD2 3.62Å; L82-L109 HydrophobicContact CB-CD2 4.5Å; L82-L109 HydrophobicContact CD1-CD1 4.33Å; L82-L109 HydrophobicContact CD2-CD1 3.69Å; L82-L109 HydrophobicContact CD2-CD2 4.26Å; K95-L109 HydrophobicContact CB-CD1 4.49Å; K95-L109 HydrophobicContact CD-CD1 3.99Å; Y97-L109 HydrophobicContact CD2-CB 4.47Å; Y97-L109 HydrophobicContact CE2-CB 3.66Å; Y97-L109 HydrophobicContact CE2-CD1 3.84Å; Y97-L109 HydrophobicContact CE2-CG 4.31Å; Y97-L109 VanDerWaalsContact CZ-CA 3.5Å; Y97-L109 WeakPolarHBondContact OH-CA 3.45Å; Y97-L109 WeakPolarHBondContact OH-CD1 3.26Å; A105-L109 PolarHBondContact O-N 3.49Å; V106-L109 WeakPolarHBondContact O-CB 3.37Å; V106-L109 PolarHBondContact O-N 3.02Å; T107-L109 VanDerWaalsContact C-N 3.33Å; T107-L109 PolarHBondContact O-N 3.36Å; L109-R111 VanDerWaalsContact C-N 3.31Å; L109-R111 PolarHBondContact O-N 2.83Å; L109-E112 PolarHBondContact O-N 2.96Å; L109-M113 HydrophobicContact CD1-CG 3.67Å; L109-M113 HydrophobicContact CD1-SD 4.4Å; L109-M113 HydrophobicContact CG-CG 4.27Å; L109-M113 WeakPolarHBondContact O-CB 3.46Å; L109-M113 VanDerWaalsContact O-CG 3.29Å; L109-M113 WeakPolarHBondContact O-CG 3.46Å; L109-M113 PolarHBondContact O-N 3.31Å; L109-V126 HydrophobicContact CD2-CG2 3.96Å
110Y97.3Very high96.8Very high22 Ų2257.6 Ų57.69%0.08627%0.268CS..Hα-helixtrans-61.4-40.9179.4-84-75.7000112A3 L7 V106 T107 Q108 G114 A121 I124 V126A3-Y110 HydrophobicContact CB-CD1 4.18Å; A3-Y110 HydrophobicContact CB-CG 4.1Å; L7-Y110 HydrophobicContact CD1-CD2 3.32Å; L7-Y110 HydrophobicContact CD1-CE2 3.48Å; L7-Y110 VanDerWaalsContact CD1-CE2 3.48Å; L7-Y110 HydrophobicContact CD1-CG 4.36Å; V106-Y110 HydrophobicContact CG1-CD2 3.82Å; V106-Y110 HydrophobicContact CG1-CE2 3.63Å; V106-Y110 VanDerWaalsContact O-CD2 3.26Å; V106-Y110 WeakPolarHBondContact O-CD2 3.44Å; V106-Y110 PolarHBondContact O-N 2.68Å; T107-Y110 PolarHBondContact O-N 2.87Å; Q108-Y110 PolarHBondContact O-N 3.23Å; Y110-G114 PolarHBondContact O-N 2.88Å; Y110-G114 VanDerWaalsContact O-N 3.1Å; Y110-A121 HydrophobicContact CD1-CB 3.66Å; Y110-A121 HydrophobicContact CE1-CB 3.69Å; Y110-I124 HydrophobicContact CD1-CB 4.4Å; Y110-I124 HydrophobicContact CD1-CD1 3.77Å; Y110-I124 HydrophobicContact CE1-CB 3.81Å; Y110-I124 HydrophobicContact CE1-CD1 4.05Å; Y110-I124 HydrophobicContact CE1-CG2 4.02Å; Y110-V126 HydrophobicContact CE2-CG2 4.41Å
111R96.6Very high96.8Very high140 Ų14055 Ų5553%0.52826%0.257SS..Hα-helixtrans-63.7-45.5176.1-69.2174.2-179.9147.42.1111.6T107 Q108 L109 G114 A115T107-R111 VanDerWaalsContact CG2-CZ 3.48Å; T107-R111 WeakPolarHBondContact O-CG 3.33Å; T107-R111 PolarHBondContact O-N 3.18Å; T107-R111 VanDerWaalsContact O-N 3.12Å; Q108-R111 PolarHBondContact O-N 3.44Å; L109-R111 VanDerWaalsContact C-N 3.31Å; L109-R111 PolarHBondContact O-N 2.83Å; R111-G114 PolarHBondContact O-N 3.44Å; R111-A115 WeakPolarHBondContact O-CB 3.38Å; R111-A115 PolarHBondContact O-N 3.3Å
112E97Very high96.6Very high27 Ų2759.2 Ų59.213%0.12628%0.275CS..Hα-helixtrans-67.7-42.8-179-168.5-166.5141.700112.4K95 Y97 Q108 L109 G114 A115 R116K95-E112 WeakPolarHBondContact CE-OE1 3.48Å; K95-E112 IonicContact NZ-OE1 3.19Å; K95-E112 PolarHBondContact NZ-OE1 2.76Å; Y97-E112 HydrophobicContact CE1-CB 4.49Å; Y97-E112 WeakPolarHBondContact CE1-OE2 3.43Å; Y97-E112 VanDerWaalsContact OH-CD 3.24Å; Y97-E112 PolarHBondContact OH-OE2 3.1Å; Q108-E112 WeakPolarHBondContact O-CB 3.41Å; Q108-E112 PolarHBondContact O-N 2.84Å; L109-E112 PolarHBondContact O-N 2.96Å; E112-G114 VanDerWaalsContact C-N 3.28Å; E112-G114 PolarHBondContact O-N 3.4Å; E112-A115 PolarHBondContact O-N 3.42Å; E112-R116 HydrophobicContact CG-CG 4.27Å; E112-R116 PolarHBondContact O-N 3.12Å; E112-R116 IonicContact OE1-CZ 2.74Å; E112-R116 IonicContact OE1-NH1 2.69Å; E112-R116 PolarHBondContact OE1-NH1 3.26Å; E112-R116 IonicContact OE2-NH1 2.76Å
113M97.1Very high96.5Very high0 Ų058.7 Ų58.70%028%0.276CS..Hα-helixtrans-64.3-36177.3-72.7-58.7-62.100111.8L82 Y84 M93 K95 L109 H117 R118 A119 I124L82-M113 HydrophobicContact CD1-CE 3.86Å; L82-M113 HydrophobicContact CD1-CG 4.19Å; L82-M113 HydrophobicContact CD1-SD 3.89Å; Y84-M113 HydrophobicContact CD1-CE 3.66Å; Y84-M113 HydrophobicContact CD2-CE 3.78Å; Y84-M113 HydrophobicContact CE1-CE 3.96Å; Y84-M113 HydrophobicContact CE2-CE 4.08Å; Y84-M113 HydrophobicContact CG-CE 3.55Å; M93-M113 HydrophobicContact SD-SD 4.17Å; K95-M113 HydrophobicContact CD-SD 4.34Å; K95-M113 PolarHBondContact NZ-SD 3.21Å; L109-M113 HydrophobicContact CD1-CG 3.67Å; L109-M113 HydrophobicContact CD1-SD 4.4Å; L109-M113 HydrophobicContact CG-CG 4.27Å; L109-M113 WeakPolarHBondContact O-CB 3.46Å; L109-M113 VanDerWaalsContact O-CG 3.29Å; L109-M113 WeakPolarHBondContact O-CG 3.46Å; L109-M113 PolarHBondContact O-N 3.31Å; M113-H117 HydrophobicContact CE-CB 4.28Å; M113-H117 CarbonylContact O-C 3.55Å; M113-H117 PolarHBondContact O-N 3.44Å; M113-H117 VanDerWaalsContact O-N 3.12Å; M113-R118 PolarHBondContact O-N 3.42Å; M113-A119 HydrophobicContact CB-CB 4.21Å; M113-A119 HydrophobicContact CE-CB 4.09Å; M113-A119 PolarHBondContact O-N 3.05Å; M113-A119 VanDerWaalsContact O-N 3.09Å; M113-I124 HydrophobicContact CB-CD1 3.43Å; M113-I124 VanDerWaalsContact CB-CD1 3.43Å; M113-I124 HydrophobicContact CB-CG1 4.35Å; M113-I124 HydrophobicContact CG-CD1 4.02Å
114G96.1Very high96.5Very high32 Ų3257.6 Ų57.633%0.3327%0.271SS..Hα-helixtrans-64.3-43.2170.400000112.6Y110 R111 E112 R118Y110-G114 PolarHBondContact O-N 2.88Å; Y110-G114 VanDerWaalsContact O-N 3.1Å; R111-G114 PolarHBondContact O-N 3.44Å; E112-G114 VanDerWaalsContact C-N 3.28Å; E112-G114 PolarHBondContact O-N 3.4Å; G114-R118 WeakPolarHBondContact O-CA 3.36Å; G114-R118 PolarHBondContact O-N 2.92Å; G114-R118 VanDerWaalsContact O-N 3.17Å
115A96.6Very high96.5Very high83 Ų8356.5 Ų56.569%0.68627%0.265SS*.Hα-helixtrans-71.6-49.2-178.300000113.3R111 E112R111-A115 WeakPolarHBondContact O-CB 3.38Å; R111-A115 PolarHBondContact O-N 3.3Å; E112-A115 PolarHBondContact O-N 3.42Å
116R96.9Very high96.5Very high167 Ų16757.8 Ų57.863%0.6327%0.272SS*.Hα-helixtrans-84.3-35.6-172.5-69.3-171.9167.9117.69.2113.7E112E112-R116 HydrophobicContact CG-CG 4.27Å; E112-R116 PolarHBondContact O-N 3.12Å; E112-R116 IonicContact OE1-CZ 2.74Å; E112-R116 IonicContact OE1-NH1 2.69Å; E112-R116 PolarHBondContact OE1-NH1 3.26Å; E112-R116 IonicContact OE2-NH1 2.76Å
117H96.7Very high96.4Very high76 Ų7663.4 Ų63.435%0.35230%0.301SS..Hα-helixtrans-119.30.2-172.9-55.8-70.2000113.4Y84 M113 A119Y84-H117 HydrophobicContact CE2-CB 4.49Å; M113-H117 HydrophobicContact CE-CB 4.28Å; M113-H117 CarbonylContact O-C 3.55Å; M113-H117 PolarHBondContact O-N 3.44Å; M113-H117 VanDerWaalsContact O-N 3.12Å; H117-A119 HydrophobicContact CB-CB 4.34Å; H117-A119 PolarHBondContact O-N 3.44Å
118R96.3Very high96.4Very high197 Ų19767.9 Ų67.974%0.74332%0.32SS*.  trans52.826.7-172.2-56.6180-179.1-97.43.4112.4M113 G114 R120M113-R118 PolarHBondContact O-N 3.42Å; G114-R118 WeakPolarHBondContact O-CA 3.36Å; G114-R118 PolarHBondContact O-N 2.92Å; G114-R118 VanDerWaalsContact O-N 3.17Å; R118-R120 PolarHBondContact O-N 2.91Å
119A96.2Very high96.4Very high9 Ų965.8 Ų65.87%0.07431%0.311CS..  trans-76124.6-178.700000109.1Y84 M113 H117 I124Y84-A119 HydrophobicContact CD2-CB 4.2Å; M113-A119 HydrophobicContact CB-CB 4.21Å; M113-A119 HydrophobicContact CE-CB 4.09Å; M113-A119 PolarHBondContact O-N 3.05Å; M113-A119 VanDerWaalsContact O-N 3.09Å; H117-A119 HydrophobicContact CB-CB 4.34Å; H117-A119 PolarHBondContact O-N 3.44Å; A119-I124 HydrophobicContact CB-CD1 4.05Å; A119-I124 HydrophobicContact CB-CG1 4.07Å
120R95.8Very high96.4Very high191 Ų19169.4 Ų69.472%0.72133%0.328SS*.  trans-74.3150.4176.1-64.6-178.3-179.6162.50.2109.6R118 E122 S123 I124R118-R120 PolarHBondContact O-N 2.91Å; R120-E122 PolarHBondContact O-N 3.31Å; R120-S123 WeakPolarHBondContact O-CB 3.25Å; R120-S123 PolarHBondContact O-N 3.08Å; R120-I124 PolarHBondContact O-N 3.07Å
121A95.8Very high96.4Very high17 Ų1771.2 Ų71.214%0.1434%0.344CS..THydrogen-bonded Turntrans-57.7-24.6179.800000113.7M1 A3 Y110M1-A121 WeakPolarHBondContact O-CB 3.36Å; A3-A121 HydrophobicContact CB-CB 3.77Å; Y110-A121 HydrophobicContact CD1-CB 3.66Å; Y110-A121 HydrophobicContact CE1-CB 3.69Å
122E94Very high96.4Very high109 Ų10965.5 Ų65.551%0.50932%0.324SS..THydrogen-bonded Turntrans-73.9-32.3179.1-33-156.7128.400112.5M1 R120 I124M1-E122 PolarHBondContact N-OE1 3.07Å; R120-E122 PolarHBondContact O-N 3.31Å; E122-I124 VanDerWaalsContact C-N 3.33Å
123S94.9Very high96.4Very high33 Ų3367.3 Ų67.323%0.23134%0.338CS..THydrogen-bonded Turntrans-80.2-15.1179.1-530000112.4Y84 D85 R120Y84-S123 VanDerWaalsContact CA-O 3.25Å; Y84-S123 WeakPolarHBondContact CA-O 3.5Å; D85-S123 PolarHBondContact N-O 3.3Å; D85-S123 VanDerWaalsContact N-O 3.07Å; R120-S123 WeakPolarHBondContact O-CB 3.25Å; R120-S123 PolarHBondContact O-N 3.08Å
124I96.6Very high96.4Very high0 Ų069.9 Ų69.90%036%0.359CS..EExtended strand (participates in β ladder)trans-95.5128.5-177.8-58.8161.1000109.8L82 Y110 M113 A119 R120 E122L82-I124 HydrophobicContact CD1-CG2 4.25Å; Y110-I124 HydrophobicContact CD1-CB 4.4Å; Y110-I124 HydrophobicContact CD1-CD1 3.77Å; Y110-I124 HydrophobicContact CE1-CB 3.81Å; Y110-I124 HydrophobicContact CE1-CD1 4.05Å; Y110-I124 HydrophobicContact CE1-CG2 4.02Å; M113-I124 HydrophobicContact CB-CD1 3.43Å; M113-I124 VanDerWaalsContact CB-CD1 3.43Å; M113-I124 HydrophobicContact CB-CG1 4.35Å; M113-I124 HydrophobicContact CG-CD1 4.02Å; A119-I124 HydrophobicContact CB-CD1 4.05Å; A119-I124 HydrophobicContact CB-CG1 4.07Å; R120-I124 PolarHBondContact O-N 3.07Å; E122-I124 VanDerWaalsContact C-N 3.33Å
125Q96.1Very high96.4Very high19 Ų1973.8 Ų73.89%0.08938%0.381CS..EExtended strand (participates in β ladder)trans-120.5112.2176.8-61.1172.828.800108.5F47 L82 R83F47-Q125 HydrophobicContact CE1-CB 4.25Å; F47-Q125 HydrophobicContact CE1-CG 4.16Å; L82-Q125 CarbonylContact C-O 3.54Å; L82-Q125 VanDerWaalsContact CA-O 3.28Å; L82-Q125 WeakPolarHBondContact CA-O 3.49Å; R83-Q125 HydrophobicContact CB-CB 4.41Å; R83-Q125 PolarHBondContact N-O 2.95Å; R83-Q125 PolarHBondContact O-N 2.69Å
126V96.9Very high96.5Very high27 Ų2776.7 Ų76.716%0.16438%0.379CS..EExtended strand (participates in β ladder)trans-81.6120.5173.7-179.20000108.2F33 I80 V106 L109 Y110 V129F33-V126 HydrophobicContact CD2-CG1 4.45Å; F33-V126 HydrophobicContact CE2-CG1 4.31Å; I80-V126 HydrophobicContact CG2-CG1 3.91Å; V106-V126 HydrophobicContact CG1-CG2 4.16Å; L109-V126 HydrophobicContact CD2-CG2 3.96Å; Y110-V126 HydrophobicContact CE2-CG2 4.41Å; V126-V129 HydrophobicContact CG1-CG2 3.55Å
127I96.4Very high96.5Very high117 Ų11769.5 Ų69.560%0.635%0.354SS*.EExtended strand (participates in β ladder)trans-94-51.1-176.6-60172.5000110W81 R83W81-I127 HydrophobicContact CB-CB 4.46Å; W81-I127 PolarHBondContact O-N 3.2Å; R83-I127 HydrophobicContact CB-CD1 4.03Å
128K97.1Very high96.5Very high100 Ų10074.6 Ų74.644%0.43537%0.37SS..EExtended strand (participates in β ladder)trans-144139.8-177.3-168.9-174-174.3-161.90109.5I80 W81 E130I80-K128 WeakPolarHBondContact CA-O 3.42Å; W81-K128 HydrophobicContact CB-CB 4.32Å; W81-K128 HydrophobicContact CD2-CB 4.36Å; W81-K128 HydrophobicContact CE3-CB 3.79Å; W81-K128 HydrophobicContact CE3-CD 3.98Å; W81-K128 HydrophobicContact CE3-CG 4.02Å; W81-K128 HydrophobicContact CZ3-CB 4.49Å; W81-K128 HydrophobicContact CZ3-CD 3.98Å; W81-K128 HydrophobicContact CZ3-CG 4.24Å; W81-K128 PolarHBondContact N-O 2.8Å; W81-K128 PolarHBondContact O-N 3.28Å; K128-E130 VanDerWaalsContact CE-OE2 3.29Å; K128-E130 WeakPolarHBondContact CE-OE2 3.49Å; K128-E130 IonicContact NZ-OE1 3.9Å; K128-E130 IonicContact NZ-OE2 2.66Å; K128-E130 PolarHBondContact NZ-OE2 3.08Å
129V97.5Very high96.6Very high15 Ų1569 Ų699%0.09135%0.349CS..EExtended strand (participates in β ladder)trans-125.4129.9169.2-179.60000106.8F33 F78 G79 I80 E102 V106 V126F33-V129 HydrophobicContact CE2-CB 4.49Å; F33-V129 HydrophobicContact CE2-CG2 3.71Å; F33-V129 HydrophobicContact CZ-CB 4.28Å; F33-V129 HydrophobicContact CZ-CG2 3.86Å; F78-V129 HydrophobicContact CD1-CG1 4.2Å; G79-V129 WeakPolarHBondContact O-CA 3.44Å; I80-V129 HydrophobicContact CG1-CG1 4.24Å; I80-V129 HydrophobicContact CG1-CG2 4.2Å; I80-V129 HydrophobicContact CG2-CG2 4.01Å; E102-V129 HydrophobicContact CB-CG1 4.36Å; E102-V129 HydrophobicContact CG-CG1 4.16Å; V106-V129 HydrophobicContact CG2-CG2 3.74Å; V126-V129 HydrophobicContact CG1-CG2 3.55Å
130E96.7Very high96.6Very high77 Ų7773.1 Ų73.136%0.3637%0.374SS..EExtended strand (participates in β ladder)trans-141140.2-177-172.6170.1-169.100110.7F78 G79 W81 K128F78-E130 CarbonylContact C-O 3.59Å; F78-E130 VanDerWaalsContact CA-O 3.26Å; F78-E130 WeakPolarHBondContact CA-O 3.42Å; G79-E130 PolarHBondContact N-O 3.23Å; G79-E130 PolarHBondContact O-N 3.26Å; W81-E130 HydrophobicContact CH2-CB 4.3Å; W81-E130 HydrophobicContact CZ3-CB 3.8Å; K128-E130 VanDerWaalsContact CE-OE2 3.29Å; K128-E130 WeakPolarHBondContact CE-OE2 3.49Å; K128-E130 IonicContact NZ-OE1 3.9Å; K128-E130 IonicContact NZ-OE2 2.66Å; K128-E130 PolarHBondContact NZ-OE2 3.08Å
131S96.7Very high96.7Very high59 Ų5968.2 Ų68.241%0.41336%0.356SS..EExtended strand (participates in β ladder)trans-76.9128.2170.4-174.30000109.1N77N77-S131 CarbonylContact O-C 3.46Å; N77-S131 WeakPolarHBondContact O-CA 3.21Å
132L97Very high96.7Very high21 Ų2167.5 Ų67.511%0.1135%0.35CS..EExtended strand (participates in β ladder)trans-107.1140.2-178.5-61.5173.5000111N77 Y94 E96N77-L132 HydrophobicContact CB-CB 4.47Å; N77-L132 PolarHBondContact O-N 3.37Å; Y94-L132 WeakPolarHBondContact OH-CD1 3.33Å; E96-L132 HydrophobicContact CG-CD1 4.36Å
133P97.4Very high96.9Very high65 Ų6564.9 Ų64.942%0.42234%0.342SS..  trans-67.7153.6164.631.3-34.2000110S135 K136P133-S135 PolarHBondContact O-N 3.47Å; P133-K136 HydrophobicContact CG-CB 4.03Å; P133-K136 HydrophobicContact CG-CD 3.84Å; P133-K136 HydrophobicContact CG-CG 3.85Å; P133-K136 PolarHBondContact O-N 3.29Å
134A96.7Very high97Very high54 Ų5468.9 Ų68.945%0.44636%0.357SS..G310 helixtrans-54.6-39.3-177.400000113K136 C137A134-K136 PolarHBondContact O-N 3.16Å; A134-C137 WeakPolarHBondContact O-CB 3.32Å; A134-C137 PolarHBondContact O-N 2.88Å
135S96.6Very high97Very high113 Ų11373 Ų7379%0.7938%0.375SS*.G310 helixtrans-64.7-19.2179.756.30000115.1P133P133-S135 PolarHBondContact O-N 3.47Å
136K97.6Very high97Very high145 Ų14575.1 Ų75.163%0.6339%0.385SS*.G310 helixtrans-99.4-0.3179.1-68.1-173.3180-178.80113.3P133 A134P133-K136 HydrophobicContact CG-CB 4.03Å; P133-K136 HydrophobicContact CG-CD 3.84Å; P133-K136 HydrophobicContact CG-CG 3.85Å; P133-K136 PolarHBondContact O-N 3.29Å; A134-K136 PolarHBondContact O-N 3.16Å
137C97.8Very high97Very high16 Ų1677.8 Ų77.811%0.10840%0.398CS..  trans-72.1132.5176-69.80000110.6N77 E96 A134 V142 T143N77-C137 WeakPolarHBondContact CB-SG 3.24Å; N77-C137 PolarHBondContact ND2-SG 2.96Å; N77-C137 VanDerWaalsContact ND2-SG 3.37Å; E96-C137 WeakPolarHBondContact OE2-CA 3.22Å; A134-C137 WeakPolarHBondContact O-CB 3.32Å; A134-C137 PolarHBondContact O-N 2.88Å; C137-V142 HydrophobicContact CB-CG1 4.44Å; C137-T143 HydrophobicContact CB-CG2 3.74Å
138R96.8Very high97Very high183 Ų18378.1 Ų78.169%0.69141%0.411SS*.  trans-108.5-16.4-175.3-57.7177.271.1-177.54.5112.7E96E96-R138 VanDerWaalsContact CD-N 3.3Å; E96-R138 PolarHBondContact OE1-N 3.04Å; E96-R138 PolarHBondContact OE2-N 2.76Å
139R97.4Very high97Very high80 Ų8081.9 Ų81.930%0.30243%0.427SS..  trans-94.2122.9-172.1-62.2-60.8-179.7-134.43.7111.2Y94 E96 Y141 V142 T143Y94-R139 PolarHBondContact O-NH2 3.24Å; E96-R139 HydrophobicContact CB-CB 4.16Å; E96-R139 HydrophobicContact CB-CG 3.82Å; E96-R139 HydrophobicContact CG-CB 4.45Å; E96-R139 HydrophobicContact CG-CG 3.79Å; E96-R139 WeakPolarHBondContact OE2-CB 3.47Å; E96-R139 PolarHBondContact OE2-N 3.31Å; R139-Y141 VanDerWaalsContact C-N 3.27Å; R139-Y141 HydrophobicContact CB-CD1 3.99Å; R139-Y141 HydrophobicContact CB-CE1 3.53Å; R139-Y141 HydrophobicContact CB-CE2 4.22Å; R139-Y141 HydrophobicContact CG-CE1 3.89Å; R139-Y141 PolarHBondContact O-N 3.41Å; R139-V142 HydrophobicContact CB-CB 4.45Å; R139-V142 HydrophobicContact CB-CG2 4.18Å; R139-V142 WeakPolarHBondContact O-CA 3.39Å; R139-V142 WeakPolarHBondContact O-CB 3.46Å; R139-V142 PolarHBondContact O-N 3.19Å; R139-T143 PolarHBondContact O-N 3.47Å; R139-T143 PolarHBondContact O-OG1 2.83Å
140P97.6Very high97Very high94 Ų9484.7 Ų84.761%0.6144%0.441SS*.Hα-helixtrans-60.1-36-175.218.6-29.1000113V142 T143 Q144P140-V142 PolarHBondContact O-N 3.26Å; P140-T143 VanDerWaalsContact CA-OG1 3.31Å; P140-T143 WeakPolarHBondContact CA-OG1 3.43Å; P140-T143 PolarHBondContact O-N 3.04Å; P140-T143 PolarHBondContact O-OG1 2.95Å; P140-Q144 WeakPolarHBondContact O-CB 3.45Å; P140-Q144 WeakPolarHBondContact O-CG 3.4Å; P140-Q144 PolarHBondContact O-N 3.45Å
141Y95.9Very high97Very high88 Ų8890.6 Ų90.635%0.34547%0.466SS..Hα-helixtrans-66.5-15.7176.665.3-100.4000113.7E96 R139 Q144 F145E96-Y141 PolarHBondContact N-OH 3.37Å; E96-Y141 VanDerWaalsContact O-CE2 3.25Å; E96-Y141 WeakPolarHBondContact O-CE2 3.45Å; E96-Y141 PolarHBondContact O-OH 3.35Å; R139-Y141 VanDerWaalsContact C-N 3.27Å; R139-Y141 HydrophobicContact CB-CD1 3.99Å; R139-Y141 HydrophobicContact CB-CE1 3.53Å; R139-Y141 HydrophobicContact CB-CE2 4.22Å; R139-Y141 HydrophobicContact CG-CE1 3.89Å; R139-Y141 PolarHBondContact O-N 3.41Å; Y141-Q144 PolarHBondContact O-NE2 3.12Å; Y141-F145 VanDerWaalsContact O-CD2 3.25Å; Y141-F145 WeakPolarHBondContact O-CD2 3.29Å; Y141-F145 WeakPolarHBondContact O-CE2 3.46Å
142V97.6Very high97Very high2 Ų294 Ų941%0.01247%0.474CS..Hα-helixtrans-94.9-44.3171.8177.80000110.5N77 E96 C137 R139 P140 Q144 F145 H146N77-V142 HydrophobicContact CB-CG1 4.37Å; E96-V142 HydrophobicContact CB-CG2 3.78Å; C137-V142 HydrophobicContact CB-CG1 4.44Å; R139-V142 HydrophobicContact CB-CB 4.45Å; R139-V142 HydrophobicContact CB-CG2 4.18Å; R139-V142 WeakPolarHBondContact O-CA 3.39Å; R139-V142 WeakPolarHBondContact O-CB 3.46Å; R139-V142 PolarHBondContact O-N 3.19Å; P140-V142 PolarHBondContact O-N 3.26Å; V142-Q144 VanDerWaalsContact C-N 3.34Å; V142-Q144 PolarHBondContact O-N 2.83Å; V142-F145 PolarHBondContact O-N 2.73Å; V142-H146 PolarHBondContact O-CD2 3.04Å; V142-H146 PolarHBondContact O-NE2 3.35Å
143T97.5Very high97Very high54 Ų5498.2 Ų98.233%0.33150%0.502SS..Hα-helixtrans-70.8-27-175.859.10000113.2C137 R139 P140 F145 H146C137-T143 HydrophobicContact CB-CG2 3.74Å; R139-T143 PolarHBondContact O-N 3.47Å; R139-T143 PolarHBondContact O-OG1 2.83Å; P140-T143 VanDerWaalsContact CA-OG1 3.31Å; P140-T143 WeakPolarHBondContact CA-OG1 3.43Å; P140-T143 PolarHBondContact O-N 3.04Å; P140-T143 PolarHBondContact O-OG1 2.95Å; T143-F145 PolarHBondContact O-N 2.91Å; T143-F145 VanDerWaalsContact O-N 3.07Å; T143-H146 WeakPolarHBondContact O-CB 3.47Å; T143-H146 PolarHBondContact O-N 2.78Å
144Q97Very high96.9Very high118 Ų11899.7 Ų99.755%0.55151%0.506SS*.THydrogen-bonded Turntrans-58.5-21.717469.1-179.8-12.800113.5P140 Y141 V142 H146P140-Q144 WeakPolarHBondContact O-CB 3.45Å; P140-Q144 WeakPolarHBondContact O-CG 3.4Å; P140-Q144 PolarHBondContact O-N 3.45Å; Y141-Q144 PolarHBondContact O-NE2 3.12Å; V142-Q144 VanDerWaalsContact C-N 3.34Å; V142-Q144 PolarHBondContact O-N 2.83Å; Q144-H146 VanDerWaalsContact C-N 3.35Å
145F97.1Very high96.7Very high87 Ų87102.5 Ų102.538%0.38252%0.519SS..THydrogen-bonded Turntrans-91.65.5177.8-64.7-70.3000113.1Y141 V142 T143 D147 L150Y141-F145 VanDerWaalsContact O-CD2 3.25Å; Y141-F145 WeakPolarHBondContact O-CD2 3.29Å; Y141-F145 WeakPolarHBondContact O-CE2 3.46Å; V142-F145 PolarHBondContact O-N 2.73Å; T143-F145 PolarHBondContact O-N 2.91Å; T143-F145 VanDerWaalsContact O-N 3.07Å; F145-D147 VanDerWaalsContact C-N 3.32Å; F145-D147 PolarHBondContact O-N 3.4Å; F145-L150 HydrophobicContact CD1-CD2 4.09Å
146H96.3Very high96.6Very high62 Ų62103 Ų10329%0.28751%0.509SS..  trans-9656.7-179.7-59173.2000110.6N77 V142 T143 Q144N77-H146 PolarHBondContact ND2-CE1 2.94Å; N77-H146 PolarHBondContact ND2-NE2 2.82Å; N77-H146 PolarHBondContact OD1-NE2 3.3Å; V142-H146 PolarHBondContact O-CD2 3.04Å; V142-H146 PolarHBondContact O-NE2 3.35Å; T143-H146 WeakPolarHBondContact O-CB 3.47Å; T143-H146 PolarHBondContact O-N 2.78Å; Q144-H146 VanDerWaalsContact C-N 3.35Å
147D96.2Very high96.4Very high84 Ų84101.3 Ų101.345%0.44950%0.499SS..  trans-126.6130.7176.1177.115.6000109.8F145 K149 L150F145-D147 VanDerWaalsContact C-N 3.32Å; F145-D147 PolarHBondContact O-N 3.4Å; D147-K149 VanDerWaalsContact C-N 3.31Å; D147-K149 PolarHBondContact OD1-N 2.88Å; D147-L150 HydrophobicContact CB-CB 4.08Å; D147-L150 HydrophobicContact CB-CD1 4.49Å; D147-L150 WeakPolarHBondContact O-CB 3.39Å; D147-L150 PolarHBondContact OD2-N 3.48Å
148S96.1Very high96Very high123 Ų123105.1 Ų105.186%0.8652%0.521SS*.THydrogen-bonded Turntrans-74.7-22.5177.757.80000112.7
149K97.7Very high95.6Very high179 Ų17999.1 Ų99.178%0.77851%0.507SS*.THydrogen-bonded Turntrans-106.319.5177.8-61.8-177.9-177.7178.70112.4D147 K151D147-K149 VanDerWaalsContact C-N 3.31Å; D147-K149 PolarHBondContact OD1-N 2.88Å; K149-K151 PolarHBondContact O-N 3.17Å
150L96.3Very high95.1Very high75 Ų75106.2 Ų106.239%0.39353%0.534SS..  trans-54.6121.2-176.1-175.767000111.2F145 D147 F152F145-L150 HydrophobicContact CD1-CD2 4.09Å; D147-L150 HydrophobicContact CB-CB 4.08Å; D147-L150 HydrophobicContact CB-CD1 4.49Å; D147-L150 WeakPolarHBondContact O-CB 3.39Å; D147-L150 PolarHBondContact OD2-N 3.48Å; L150-F152 HydrophobicContact CD1-CD1 4.35Å; L150-F152 HydrophobicContact CD2-CD1 4.32Å; L150-F152 HydrophobicContact CD2-CE1 3.93Å; L150-F152 HydrophobicContact CG-CD1 4.02Å; L150-F152 HydrophobicContact CG-CE1 4.09Å
151K97.5Very high94.8Very high200 Ų200105.5 Ų105.587%0.8753%0.53SS*.  trans-139.3131.5177.2-173177.1-179.4-179.50109.6K149K149-K151 PolarHBondContact O-N 3.17Å
152F96.7Very high94.5Very high132 Ų132106.9 Ų106.958%0.57954%0.542SS*.  trans-147.1139.7176.152.1-90.9000110.5L150L150-F152 HydrophobicContact CD1-CD1 4.35Å; L150-F152 HydrophobicContact CD2-CD1 4.32Å; L150-F152 HydrophobicContact CD2-CE1 3.93Å; L150-F152 HydrophobicContact CG-CD1 4.02Å; L150-F152 HydrophobicContact CG-CE1 4.09Å
153P96.2Very high94.2Very high108 Ų108112.7 Ų112.770%0.70157%0.569SS**  trans-75.9165.5169.233.1-34.2000110.8P155P153-P155 VanDerWaalsContact O-CD 3.27Å; P153-P155 WeakPolarHBondContact O-CD 3.27Å
154L95.1Very high93.8Very high97 Ų97118 Ų11851%0.50859%0.59SS.*  trans-102.388.8163.3-65.1178.5000107.7H156 R157L154-H156 VanDerWaalsContact C-N 3.28Å; L154-H156 PolarHBondContact O-N 3.2Å; L154-R157 HydrophobicContact CB-CG 4.15Å
155P94.3Very high93.6Very high112 Ų112116.5 Ų116.573%0.72759%0.59SS**  trans-65.5-27-16224.4-35.3000114.3P153P153-P155 VanDerWaalsContact O-CD 3.27Å; P153-P155 WeakPolarHBondContact O-CD 3.27Å
156H94Very high93.3Very high123 Ų123121 Ų12157%0.56961%0.605SS**  trans-139.8107.5-179.5-175.7-99000110L154 V158 T174L154-H156 VanDerWaalsContact C-N 3.28Å; L154-H156 PolarHBondContact O-N 3.2Å; H156-V158 VanDerWaalsContact CE1-CG2 3.46Å; H156-V158 WeakPolarHBondContact CE1-CG2 3.46Å; H156-T174 PolarHBondContact CD2-OG1 3.48Å; H156-T174 PolarHBondContact NE2-OG1 3.12Å
157R92.6Very high93.3Very high111 Ų111126.6 Ų126.642%0.41963%0.628SS.*  trans-103.9108.7178.9-54.3-170.5-162.3-17310.8109.9L154 T174 F176L154-R157 HydrophobicContact CB-CG 4.15Å; R157-T174 PolarHBondContact N-O 3.23Å; R157-T174 WeakPolarHBondContact O-CA 3.35Å; R157-T174 WeakPolarHBondContact O-CB 3.29Å; R157-F176 HydrophobicContact CB-CD2 3.9Å; R157-F176 HydrophobicContact CB-CE2 4.27Å; R157-F176 HydrophobicContact CG-CD2 4.31Å; R157-F176 PolarHBondContact NE-O 3.47Å; R157-F176 PolarHBondContact NH2-O 3.14Å
158V90.8Very high93.1Very high96 Ų96126.7 Ų126.758%0.58263%0.632SS**  trans-77.9123.3176.2-177.20000109.6H156 R160H156-V158 VanDerWaalsContact CE1-CG2 3.46Å; H156-V158 WeakPolarHBondContact CE1-CG2 3.46Å; V158-R160 PolarHBondContact O-N 3.47Å
159S86.6Confident93.1Very high57 Ų57127.8 Ų127.840%0.39963%0.634SS.*  trans-65.2119.6169-174.80000109.7L162S159-L162 WeakPolarHBondContact O-CD2 3.46Å
160R88.6Confident92.8Very high228 Ų228129 Ų12986%0.8663%0.633SS**  trans-84.1-29.4-179.6-66.2-167.4177.4-150.80.2115.3V158 L162V158-R160 PolarHBondContact O-N 3.47Å; R160-L162 PolarHBondContact O-N 2.84Å
161P90.8Very high92.6Very high80 Ų80136.4 Ų136.452%0.51966%0.656SS.*  trans-70.158.5175.7-20.233.7000113.6H163 H164P161-H163 PolarHBondContact O-N 3.3Å; P161-H163 VanDerWaalsContact O-N 3.07Å; P161-H164 PolarHBondContact O-N 3.46Å
162L88.6Confident92.3Very high117 Ų117131.7 Ų131.761%0.61365%0.646SS**THydrogen-bonded Turntrans-64.8-14.5-175.6-62.8174.2000113.9S159 R160S159-L162 WeakPolarHBondContact O-CD2 3.46Å; R160-L162 PolarHBondContact O-N 2.84Å
163H91.7Very high92Very high124 Ų124129.8 Ų129.857%0.57465%0.645SS**THydrogen-bonded Turntrans-114.43.9-177.4-59-52000113.6P161 P165 R166P161-H163 PolarHBondContact O-N 3.3Å; P161-H163 VanDerWaalsContact O-N 3.07Å; H163-P165 CarbonylContact O-C 3.49Å; H163-R166 PolarHBondContact O-N 2.97Å; H163-R166 VanDerWaalsContact O-N 3.12Å
164H90.6Very high91.7Very high166 Ų166127 Ų12777%0.76963%0.626SS**THydrogen-bonded Turntrans-133.384.4178.1-73-77.1000109.8P161P161-H164 PolarHBondContact O-N 3.46Å
165P90.9Very high91.5Very high86 Ų86126.1 Ų126.156%0.55863%0.634SS**THydrogen-bonded Turncis-85.9151.42.736.3-37.5000113.1H163 F167 T168H163-P165 CarbonylContact O-C 3.49Å; P165-F167 VanDerWaalsContact C-N 3.33Å; P165-F167 WeakPolarHBondContact CB-O 3.34Å; P165-T168 HydrophobicContact CG-CG2 4.49Å
166R92.5Very high91.1Very high181 Ų181128.7 Ų128.768%0.68363%0.633SS**SBendtrans-69.6-31.6175.3-171.1174.3-168.6165.93112.7H163H163-R166 PolarHBondContact O-N 2.97Å; H163-R166 VanDerWaalsContact O-N 3.12Å
167F94.6Very high90.9Very high179 Ų179129 Ų12979%0.78564%0.637SS**SBendtrans-126.3132.8175.6-55.6-72.1000108.6P165P165-F167 VanDerWaalsContact C-N 3.33Å; P165-F167 WeakPolarHBondContact CB-O 3.34Å
168T93.2Very high90.9Very high87 Ų87129.9 Ų129.953%0.53465%0.648SS.*  trans-148.6149179.2175.30000109P165 R170P165-T168 HydrophobicContact CG-CG2 4.49Å; T168-R170 VanDerWaalsContact C-N 3.35Å; T168-R170 VanDerWaalsContact CG2-O 3.29Å; T168-R170 WeakPolarHBondContact CG2-O 3.3Å; T168-R170 PolarHBondContact OG1-N 3.07Å; T168-R170 VanDerWaalsContact OG1-N 3.14Å; T168-R170 PolarHBondContact OG1-O 2.77Å
169T95.4Very high90.9Very high146 Ų146131.8 Ų131.890%0.89665%0.652SS**SBendtrans-81.1-20173.354.50000112.2
170R92.4Very high91.1Very high203 Ų203136.2 Ų136.277%0.76667%0.667SS**SBendtrans-93.5129.5-177.6-61.7-175.5-179.4-172.10.1110.7T168T168-R170 VanDerWaalsContact C-N 3.35Å; T168-R170 VanDerWaalsContact CG2-O 3.29Å; T168-R170 WeakPolarHBondContact CG2-O 3.3Å; T168-R170 PolarHBondContact OG1-N 3.07Å; T168-R170 VanDerWaalsContact OG1-N 3.14Å; T168-R170 PolarHBondContact OG1-O 2.77Å
171R91Very high91.3Very high231 Ų231130.4 Ų130.487%0.87266%0.655SS**PPolyproline II helixtrans-69.9140.8171.4-64.3-174.3-178.6-162.50.9110
172P91Very high91.3Very high101 Ų101133.8 Ų133.866%0.65666%0.664SS**PPolyproline II helixtrans-67.4137.5178.127.6-33.6000110.9
173T91.2Very high91.5Very high92 Ų92135 Ų13556%0.56467%0.667SS**PPolyproline II helixtrans-85.4140.4168.2530000109.6F176T173-F176 WeakPolarHBondContact O-CE2 3.14Å; T173-F176 VanDerWaalsContact O-CZ 3.3Å; T173-F176 WeakPolarHBondContact O-CZ 3.26Å; T173-F176 VanDerWaalsContact OG1-CZ 3.26Å; T173-F176 WeakPolarHBondContact OG1-CZ 3.44Å
174T90.7Very high91.5Very high49 Ų49135.8 Ų135.830%0.30167%0.674SS.*  trans-122.2-6-179.856.70000113.8H156 R157H156-T174 PolarHBondContact CD2-OG1 3.48Å; H156-T174 PolarHBondContact NE2-OG1 3.12Å; R157-T174 PolarHBondContact N-O 3.23Å; R157-T174 WeakPolarHBondContact O-CA 3.35Å; R157-T174 WeakPolarHBondContact O-CB 3.29Å
175A89.2Confident91.6Very high80 Ų80133.3 Ų133.366%0.66167%0.667SS**  trans-100.1120.5172.300000109.7
176F86.6Confident91.6Very high165 Ų165137.6 Ų137.672%0.72468%0.676SS**  trans-145.30-180-56.4-94000111.7R157 T173R157-F176 HydrophobicContact CB-CD2 3.9Å; R157-F176 HydrophobicContact CB-CE2 4.27Å; R157-F176 HydrophobicContact CG-CD2 4.31Å; R157-F176 PolarHBondContact NE-O 3.47Å; R157-F176 PolarHBondContact NH2-O 3.14Å; T173-F176 WeakPolarHBondContact O-CE2 3.14Å; T173-F176 VanDerWaalsContact O-CZ 3.3Å; T173-F176 WeakPolarHBondContact O-CZ 3.26Å; T173-F176 VanDerWaalsContact OG1-CZ 3.26Å; T173-F176 WeakPolarHBondContact OG1-CZ 3.44Å

Retrieved 176 of 176 residues in 167.5 ms (Link to these results)

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