G4VLT3_SCHMA Loading...

Interleukin-1 receptor-associated kinase 1-binding protein 1

AlphaFold DB , UniProt , Accession G4VLT3, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 239 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
1M35.9Very low56Low228 Ų228112.7 Ų112.7100%1.12362%0.618SS**  0108.80-87.7177.3171.900106.8I3M1-I3 HydrophobicContact CB-CG1 4.46Å; M1-I3 PolarHBondContact O-N 3.38Å; M1-I3 VanDerWaalsContact O-N 3.15Å
2T34.6Very low58.9Low136 Ų136104.1 Ų104.183%0.83457%0.571SS**  trans-74101.7170.818.30000107.6D4T2-D4 PolarHBondContact O-N 3.15Å
3I41.6Very low61.5Low117 Ų117104 Ų10460%0.656%0.562SS**  trans-90.693170.5-58.3171.8000104.6M1 N5M1-I3 HydrophobicContact CB-CG1 4.46Å; M1-I3 PolarHBondContact O-N 3.38Å; M1-I3 VanDerWaalsContact O-N 3.15Å; I3-N5 PolarHBondContact O-N 2.71Å
4D44.8Very low63.9Low135 Ų13597.5 Ų97.572%0.72253%0.527SS*.  trans-69.1123174.6-76.9-34.3000109.6T2 V6T2-D4 PolarHBondContact O-N 3.15Å; D4-V6 VanDerWaalsContact C-N 3.29Å; D4-V6 PolarHBondContact O-N 2.81Å
5N44.8Very low65.9Low151 Ų15194.1 Ų94.181%0.80751%0.514SS*.SBendtrans-70.965.8-171.7-105-13.2000113.5I3I3-N5 PolarHBondContact O-N 2.71Å
6V50.4Low67.7Low92 Ų9288.3 Ų88.356%0.55848%0.482SS*.  trans-135.372167.7-166.20000109.7D4 N8 K13D4-V6 VanDerWaalsContact C-N 3.29Å; D4-V6 PolarHBondContact O-N 2.81Å; V6-N8 PolarHBondContact O-N 3.33Å; V6-K13 PolarHBondContact O-NZ 2.81Å
7H53.7Low69.3Low150 Ų15085.7 Ų85.769%0.69447%0.47SS*.  trans-8994.3173.7-69.2-59.7000110.1A9H7-A9 PolarHBondContact O-N 2.95Å
8N62.8Low70.7Confident94 Ų9481 Ų8150%0.50344%0.444SS..  trans-67.6126.2151.3-75.3-13.5000107V6 G10 E11V6-N8 PolarHBondContact O-N 3.33Å; N8-G10 PolarHBondContact O-N 3.46Å; N8-E11 HydrophobicContact CB-CG 4.02Å; N8-E11 VanDerWaalsContact CB-OE1 3.29Å; N8-E11 WeakPolarHBondContact CB-OE1 3.47Å; N8-E11 PolarHBondContact ND2-OE1 3.49Å
9A72.2Confident71.9Confident75 Ų7580.3 Ų80.362%0.6244%0.438SS*.THydrogen-bonded Turntrans-50.712617100000110.4H7 F237H7-A9 PolarHBondContact O-N 2.95Å; A9-F237 HydrophobicContact CB-CD1 3.53Å; A9-F237 HydrophobicContact CB-CE1 3.18Å; A9-F237 HydrophobicContact CB-CZ 4.04Å
10G85Confident72.9Confident9 Ų976.9 Ų76.99%0.09342%0.419CS..THydrogen-bonded Turntrans89.817.7174.500000117.2N8 L234 F237N8-G10 PolarHBondContact O-N 3.46Å; G10-L234 PolarHBondContact O-N 2.77Å; G10-F237 VanDerWaalsContact N-CD1 3.31Å
11E90.3Very high73.8Confident53 Ų5376.5 Ų76.525%0.24842%0.419CS..EExtended strand (participates in β ladder)trans-120.6146.6179.7-61.3180-173.800112.9N8 I160 I231 C232N8-E11 HydrophobicContact CB-CG 4.02Å; N8-E11 VanDerWaalsContact CB-OE1 3.29Å; N8-E11 WeakPolarHBondContact CB-OE1 3.47Å; N8-E11 PolarHBondContact ND2-OE1 3.49Å; E11-I160 HydrophobicContact CG-CD1 3.74Å; E11-I231 HydrophobicContact CB-CG2 4.28Å; E11-I231 HydrophobicContact CG-CG2 4.47Å; E11-C232 WeakPolarHBondContact CA-O 3.43Å
12V90.7Very high76.4Confident9 Ų966.2 Ų66.26%0.05537%0.37CS..EExtended strand (participates in β ladder)trans-117.2128165.365.50000109.7V14 A145 I148 I156 I231 C232 L234V12-V14 HydrophobicContact CG2-CG1 4.02Å; V12-A145 HydrophobicContact CG1-CB 4.22Å; V12-I148 HydrophobicContact CG2-CB 4.05Å; V12-I148 HydrophobicContact CG2-CD1 4.13Å; V12-I148 HydrophobicContact CG2-CG2 3.63Å; V12-I156 HydrophobicContact CG1-CD1 3.57Å; V12-I231 WeakPolarHBondContact O-CA 3.31Å; V12-C232 HydrophobicContact CG1-CB 3.74Å; V12-C232 PolarHBondContact N-O 3.29Å; V12-C232 PolarHBondContact O-N 2.88Å; V12-L234 HydrophobicContact CB-CD1 4.31Å; V12-L234 HydrophobicContact CB-CD2 4.19Å; V12-L234 HydrophobicContact CB-CG 4.3Å; V12-L234 HydrophobicContact CG1-CD2 3.93Å; V12-L234 HydrophobicContact CG1-CG 4.34Å
13K93Very high79.1Confident103 Ų10364.6 Ų64.645%0.44835%0.353SS..EExtended strand (participates in β ladder)trans-108.6123.7178-60.4179.5179.1169.40108.4V6 V230 I231V6-K13 PolarHBondContact O-NZ 2.81Å; K13-V230 WeakPolarHBondContact CA-O 3.4Å; K13-I231 HydrophobicContact CG-CD1 4.44Å; K13-I231 HydrophobicContact CG-CG1 4.1Å; K13-I231 HydrophobicContact CG-CG2 4.13Å
14V94.5Very high81.5Confident13 Ų1359.3 Ų59.38%0.07933%0.326CS..EExtended strand (participates in β ladder)trans-134.3154.4-179.8-61.50000110.6V12 A141 K144 A145 I148 V230V12-V14 HydrophobicContact CG2-CG1 4.02Å; V14-A141 HydrophobicContact CG2-CB 4.08Å; V14-A141 WeakPolarHBondContact CG2-O 3.38Å; V14-K144 HydrophobicContact CB-CB 4.19Å; V14-K144 HydrophobicContact CG1-CB 4.14Å; V14-A145 HydrophobicContact CG1-CB 4.18Å; V14-A145 HydrophobicContact CG2-CB 4.04Å; V14-I148 HydrophobicContact CG1-CD1 3.61Å; V14-V230 HydrophobicContact CG2-CB 3.95Å; V14-V230 PolarHBondContact N-O 3.02Å; V14-V230 PolarHBondContact O-N 3.27Å
15S94.7Very high83.8Confident47 Ų4755 Ų5533%0.32930%0.303SS..EExtended strand (participates in β ladder)trans-110.1130.6168.154.20000110.3K144 L228S15-K144 WeakPolarHBondContact O-CD 3.4Å; S15-K144 PolarHBondContact O-NZ 2.87Å; S15-L228 CarbonylContact C-O 3.25Å; S15-L228 VanDerWaalsContact CA-O 3.24Å; S15-L228 WeakPolarHBondContact CA-O 3.32Å
16G94.8Very high86.2Confident0 Ų047.9 Ų47.90%027%0.265CS..EExtended strand (participates in β ladder)trans-103.6141.8171.300000110.9A137 D140 K227 L228G16-A137 WeakPolarHBondContact CA-O 3.49Å; G16-D140 VanDerWaalsContact CA-OD2 3.25Å; G16-D140 WeakPolarHBondContact CA-OD2 3.29Å; G16-K227 WeakPolarHBondContact O-CA 3.15Å; G16-L228 PolarHBondContact N-O 3.02Å; G16-L228 PolarHBondContact O-N 3.17Å
17V94.7Very high88.3Confident45 Ų4543.5 Ų43.527%0.27324%0.238SC..EExtended strand (participates in β ladder)trans-123.9128174.9-178.80000108.8D140 R225 I226 K227V17-D140 PolarHBondContact N-OD2 2.99Å; V17-R225 HydrophobicContact CG1-CG 4.05Å; V17-I226 WeakPolarHBondContact CA-O 3.18Å; V17-K227 HydrophobicContact CG2-CG 4.35Å
18G94.5Very high90.2Very high1 Ų137.6 Ų37.61%0.0121%0.211CC..EExtended strand (participates in β ladder)trans-120.7140.4171.900000109.9A133 R225 I226G18-A133 WeakPolarHBondContact CA-O 3.49Å; G18-R225 WeakPolarHBondContact O-CA 3.34Å; G18-I226 PolarHBondContact N-O 2.87Å; G18-I226 PolarHBondContact O-N 2.84Å
19E93.2Very high91.7Very high68 Ų6833.1 Ų33.132%0.31819%0.187SC..EExtended strand (participates in β ladder)trans-147120.3-172.5-174.4-179.3142.400110.8Q136 R223 I224E19-Q136 PolarHBondContact O-OE1 3.33Å; E19-R223 VanDerWaalsContact CD-CZ 3.43Å; E19-R223 HydrophobicContact CG-CG 3.95Å; E19-R223 WeakPolarHBondContact OE1-CD 2.97Å; E19-R223 IonicContact OE1-CZ 2.88Å; E19-R223 IonicContact OE1-NE 3.76Å; E19-R223 PolarHBondContact OE1-NE 3.19Å; E19-R223 IonicContact OE1-NH1 3.21Å; E19-R223 IonicContact OE1-NH2 2.78Å; E19-R223 PolarHBondContact OE1-NH2 2.66Å; E19-R223 IonicContact OE2-CZ 2.76Å; E19-R223 IonicContact OE2-NE 2.88Å; E19-R223 PolarHBondContact OE2-NE 3.31Å; E19-R223 IonicContact OE2-NH2 3.93Å; E19-R223 PolarHBondContact OE2-NH2 3.15Å; E19-I224 VanDerWaalsContact CA-O 3.29Å; E19-I224 WeakPolarHBondContact CA-O 3.45Å
20T92.5Very high92.8Very high11 Ų1130.3 Ų30.37%0.06716%0.161CC..EExtended strand (participates in β ladder)trans-121.3145.5172.6-172.70000109.9L129 E132 A133 R223 I224T20-L129 HydrophobicContact CG2-CB 3.88Å; T20-L129 HydrophobicContact CG2-CD2 3.95Å; T20-L129 VanDerWaalsContact CG2-O 3.3Å; T20-L129 WeakPolarHBondContact CG2-O 3.41Å; T20-E132 PolarHBondContact OG1-OE2 2.86Å; T20-A133 HydrophobicContact CG2-CB 4.23Å; T20-R223 WeakPolarHBondContact O-CA 3.32Å; T20-I224 HydrophobicContact CG2-CB 4.01Å; T20-I224 PolarHBondContact N-O 2.83Å; T20-I224 PolarHBondContact O-N 2.8Å
21T90.6Very high93.3Very high69 Ų6929.9 Ų29.942%0.42316%0.157SC..EExtended strand (participates in β ladder)trans-127.2129.5171.5-53.60000107.6Q221 R222T21-Q221 HydrophobicContact CG2-CG 3.76Å; T21-R222 WeakPolarHBondContact CA-O 3.45Å; T21-R222 WeakPolarHBondContact CG2-O 3.19Å
22S91.7Very high93.5Very high13 Ų1327.8 Ų27.89%0.09115%0.147CC..EExtended strand (participates in β ladder)trans-138.5154.1-179.7175.90000110Y121 R125 L129 Q221 R222S22-Y121 PolarHBondContact O-OH 3.24Å; S22-R125 PolarHBondContact OG-NE 3.3Å; S22-R125 PolarHBondContact OG-NH2 3.18Å; S22-L129 VanDerWaalsContact CB-CD2 3.42Å; S22-Q221 VanDerWaalsContact O-CG 3.32Å; S22-Q221 WeakPolarHBondContact O-CG 3.48Å; S22-R222 PolarHBondContact N-O 2.89Å
23E91.3Very high93.7Very high102 Ų10227.4 Ų27.448%0.47715%0.145SC..  trans-73.4155165-65.6-171.7155.100111.2Y121E23-Y121 WeakPolarHBondContact O-CE1 3.38Å
24P92.2Very high93.8Very high6 Ų623.2 Ų23.24%0.03913%0.128CC..  trans-64.1148.3171.529-37.8000111.5I94 C119 F120 Y121 L217 A220P24-I94 VanDerWaalsContact O-CD1 3.22Å; P24-I94 WeakPolarHBondContact O-CD1 3.45Å; P24-C119 HydrophobicContact CB-CB 4.06Å; P24-C119 HydrophobicContact CG-CB 3.57Å; P24-F120 VanDerWaalsContact CB-O 3.27Å; P24-F120 WeakPolarHBondContact CB-O 2.97Å; P24-Y121 HydrophobicContact CB-CD2 4.31Å; P24-Y121 HydrophobicContact CB-CE2 4.03Å; P24-L217 HydrophobicContact CG-CD2 3.76Å; P24-A220 HydrophobicContact CB-CB 4.47Å; P24-A220 HydrophobicContact CG-CB 3.84Å
25D93.1Very high93.8Very high44 Ų4422.8 Ų22.824%0.23513%0.126CC..SBendtrans-105.8-8.6-179.264.8-41.4000113.7C92 F120 Y121 S122 R125D25-C92 CarbonylContact O-C 3.58Å; D25-C92 VanDerWaalsContact O-CA 3.23Å; D25-C92 WeakPolarHBondContact O-CA 3.47Å; D25-C92 WeakPolarHBondContact O-CB 3.27Å; D25-F120 PolarHBondContact N-O 2.83Å; D25-Y121 WeakPolarHBondContact OD1-CA 3.38Å; D25-S122 PolarHBondContact OD1-N 2.94Å; D25-S122 VanDerWaalsContact OD2-CB 3.24Å; D25-S122 WeakPolarHBondContact OD2-CB 2.9Å; D25-S122 PolarHBondContact OD2-OG 2.87Å; D25-R125 HydrophobicContact CB-CG 4.38Å; D25-R125 WeakPolarHBondContact OD1-CB 3.49Å; D25-R125 WeakPolarHBondContact OD2-CB 3.27Å
26C94.4Very high93.7Very high1 Ų125.3 Ų25.31%0.00713%0.131CC..EExtended strand (participates in β ladder)trans-127.7160.2177.6-47.90000112.5T91 C92 C119 F120 S122C26-T91 CarbonylContact C-O 3.49Å; C26-T91 VanDerWaalsContact CA-O 3.27Å; C26-T91 WeakPolarHBondContact CA-O 3.42Å; C26-T91 WeakPolarHBondContact CB-O 3.39Å; C26-C92 HydrophobicContact CB-CB 4.03Å; C26-C92 WeakPolarHBondContact CB-SG 3.18Å; C26-C92 WeakPolarHBondContact SG-CB 3.42Å; C26-C92 CovalentContact SG-SG 2.05Å; C26-C92 PolarHBondContact SG-SG 3.29Å; C26-C119 CarbonylContact O-C 3.56Å; C26-C119 WeakPolarHBondContact O-CA 3.47Å; C26-F120 CarbonylContact C-O 3.57Å; C26-F120 WeakPolarHBondContact CA-O 3.09Å; C26-F120 HydrophobicContact CB-CD1 4.48Å; C26-F120 HydrophobicContact CB-CD2 3.84Å; C26-F120 HydrophobicContact CB-CE1 4.11Å; C26-F120 HydrophobicContact CB-CE2 3.39Å; C26-F120 HydrophobicContact CB-CG 4.35Å; C26-F120 HydrophobicContact CB-CZ 3.54Å; C26-F120 PolarHBondContact N-O 2.82Å; C26-F120 PolarHBondContact O-N 2.9Å; C26-S122 VanDerWaalsContact SG-CB 3.55Å
27C94Very high93.7Very high0 Ų029.2 Ų29.20%015%0.148CC..EExtended strand (participates in β ladder)trans-147.8153.8173.763.20000112.5V29 T90 T91 I94 E118C27-V29 HydrophobicContact CB-CG2 4.47Å; C27-T90 WeakPolarHBondContact O-CA 3.35Å; C27-T91 PolarHBondContact N-O 3.43Å; C27-T91 PolarHBondContact O-N 3Å; C27-I94 HydrophobicContact CB-CG1 4.46Å; C27-E118 CarbonylContact C-O 3.53Å; C27-E118 WeakPolarHBondContact CA-O 3.31Å; C27-E118 WeakPolarHBondContact CB-O 3.23Å
28K94.7Very high93.7Very high27 Ų2732.3 Ų32.312%0.11717%0.169CC..EExtended strand (participates in β ladder)trans-112126.7167.7-178.7-177.6179.1179.30107.7E88 I89 V117 E118 F120 I176K28-E88 HydrophobicContact CD-CG 4.4Å; K28-E88 WeakPolarHBondContact CE-OE1 3.2Å; K28-E88 WeakPolarHBondContact CE-OE2 3.48Å; K28-E88 HydrophobicContact CG-CG 4.22Å; K28-E88 IonicContact NZ-OE1 2.63Å; K28-E88 PolarHBondContact NZ-OE1 3.34Å; K28-E88 IonicContact NZ-OE2 3.03Å; K28-E88 PolarHBondContact NZ-OE2 3.23Å; K28-I89 CarbonylContact C-O 3.54Å; K28-I89 WeakPolarHBondContact CA-O 3.1Å; K28-V117 WeakPolarHBondContact O-CA 3.36Å; K28-E118 HydrophobicContact CB-CB 4.37Å; K28-E118 PolarHBondContact N-O 3.16Å; K28-E118 PolarHBondContact O-N 2.88Å; K28-F120 HydrophobicContact CB-CE1 4.17Å; K28-I176 HydrophobicContact CD-CD1 4.28Å
29V94.4Very high93.6Very high0 Ų035.7 Ų35.70%019%0.19CC..EExtended strand (participates in β ladder)trans-131.5131.9-174.4176.20000109.5C27 I31 I89 I97 L101 L114 V117 W213C27-V29 HydrophobicContact CB-CG2 4.47Å; V29-I31 HydrophobicContact CG1-CG1 4.12Å; V29-I89 PolarHBondContact N-O 3.18Å; V29-I89 PolarHBondContact O-N 2.8Å; V29-I97 HydrophobicContact CB-CG1 4.25Å; V29-I97 HydrophobicContact CG1-CG1 4.48Å; V29-I97 HydrophobicContact CG2-CG1 3.89Å; V29-L101 HydrophobicContact CG1-CD1 4.21Å; V29-L114 HydrophobicContact CG1-CD1 3.61Å; V29-V117 HydrophobicContact CG1-CG2 4.23Å; V29-V117 HydrophobicContact CG2-CG1 4.12Å; V29-V117 HydrophobicContact CG2-CG2 4.24Å; V29-W213 HydrophobicContact CG2-CH2 3.82Å
30E95Very high93.6Very high16 Ų1635.1 Ų35.18%0.07519%0.192CC..EExtended strand (participates in β ladder)trans-96.7122.2169.5-66.7-180137.700110.7K86 F87 G115 T116E30-K86 HydrophobicContact CB-CD 4.49Å; E30-K86 HydrophobicContact CB-CG 4.5Å; E30-K86 HydrophobicContact CG-CD 4.2Å; E30-K86 WeakPolarHBondContact OE1-CD 3.42Å; E30-K86 WeakPolarHBondContact OE1-CE 3.3Å; E30-K86 IonicContact OE1-NZ 2.68Å; E30-K86 PolarHBondContact OE1-NZ 3.4Å; E30-F87 WeakPolarHBondContact CA-O 3.29Å; E30-G115 PolarHBondContact O-N 2.89Å; E30-T116 WeakPolarHBondContact CG-OG1 3.38Å; E30-T116 PolarHBondContact N-O 2.88Å; E30-T116 WeakPolarHBondContact OE2-CB 3.49Å; E30-T116 PolarHBondContact OE2-N 3.37Å; E30-T116 VanDerWaalsContact OE2-N 3.08Å; E30-T116 PolarHBondContact OE2-OG1 3.49Å
31I94.6Very high93.7Very high0 Ų038.5 Ų38.50%022%0.216CC..EExtended strand (participates in β ladder)trans-107.6120.4171.8-49.8-175.2000107.8V29 K86 F87 I89 I97 L101 L104 I112V29-I31 HydrophobicContact CG1-CG1 4.12Å; I31-K86 WeakPolarHBondContact O-CA 3.26Å; I31-F87 HydrophobicContact CB-CB 4.27Å; I31-F87 PolarHBondContact N-O 3.38Å; I31-F87 PolarHBondContact O-N 2.93Å; I31-I89 HydrophobicContact CD1-CD1 3.61Å; I31-I89 HydrophobicContact CG1-CD1 4.28Å; I31-I97 HydrophobicContact CD1-CD1 4.44Å; I31-L101 HydrophobicContact CD1-CD2 3.57Å; I31-L101 HydrophobicContact CD1-CG 4.4Å; I31-L101 HydrophobicContact CG1-CD2 3.72Å; I31-L104 HydrophobicContact CD1-CD1 3.93Å; I31-L104 HydrophobicContact CG2-CD1 4.34Å; I31-I112 HydrophobicContact CG2-CD1 4.05Å; I31-I112 HydrophobicContact CG2-CG2 4.11Å
32L95.1Very high94Very high9 Ų937.9 Ų37.95%0.04722%0.215CC..EExtended strand (participates in β ladder)trans-103.8125.5-179.9-52.3176.3000109.2V84 Y85 K86 I112 R113 Y187L32-V84 HydrophobicContact CB-CG1 4.16Å; L32-V84 HydrophobicContact CD2-CG1 4.27Å; L32-Y85 CarbonylContact C-O 3.38Å; L32-Y85 WeakPolarHBondContact CA-O 3.38Å; L32-K86 HydrophobicContact CD2-CB 3.7Å; L32-K86 HydrophobicContact CD2-CD 3.9Å; L32-K86 HydrophobicContact CD2-CG 3.6Å; L32-I112 CarbonylContact O-C 3.54Å; L32-I112 WeakPolarHBondContact O-CA 3.22Å; L32-R113 HydrophobicContact CB-CB 4.19Å; L32-R113 PolarHBondContact N-O 2.91Å; L32-R113 PolarHBondContact O-N 3.4Å; L32-Y187 HydrophobicContact CD1-CD1 4.34Å; L32-Y187 HydrophobicContact CD1-CG 4.4Å
33V95.9Very high94.1Very high0 Ų037.3 Ų37.30%021%0.211CC..EExtended strand (participates in β ladder)trans-104.4102.1169.8-178.30000107.7R50 A54 V84 Y85 F87 Y111 I112V33-R50 HydrophobicContact CG1-CB 3.55Å; V33-A54 HydrophobicContact CG2-CB 3.96Å; V33-V84 WeakPolarHBondContact O-CA 3.47Å; V33-Y85 PolarHBondContact N-O 2.68Å; V33-Y85 PolarHBondContact O-N 2.92Å; V33-F87 HydrophobicContact CG2-CD2 4.23Å; V33-F87 HydrophobicContact CG2-CE2 3.76Å; V33-Y111 CarbonylContact C-O 3.54Å; V33-Y111 WeakPolarHBondContact CA-O 3.34Å; V33-I112 HydrophobicContact CG2-CD1 3.7Å
34C93.9Very high94.3Very high15 Ų1534.9 Ų34.910%0.10120%0.2CC..EExtended strand (participates in β ladder)trans-104.3141.1-174.7-54.50000111.3A83 V84 Y111C34-A83 CarbonylContact C-O 3.43Å; C34-A83 WeakPolarHBondContact CA-O 3.24Å; C34-V84 HydrophobicContact CB-CG2 4.37Å; C34-Y111 PolarHBondContact N-O 2.9Å; C34-Y111 VanDerWaalsContact O-CD1 3.32Å; C34-Y111 WeakPolarHBondContact O-CD1 3.08Å
35S94.4Very high94.5Very high5 Ų538.7 Ų38.74%0.03522%0.217CC..EExtended strand (participates in β ladder)trans-141.9115.8169.5178.20000111S46 A83S35-S46 WeakPolarHBondContact OG-CB 3.44Å; S35-S46 PolarHBondContact OG-OG 2.88Å; S35-A83 PolarHBondContact N-O 2.91Å; S35-A83 PolarHBondContact O-N 2.87Å
36K93.7Very high94.6Very high100 Ų10037.2 Ų37.244%0.43521%0.21SC..EExtended strand (participates in β ladder)trans-95.1126.2173-171.7168.4-179.2164.10111.1E77 V81K36-E77 VanDerWaalsContact CE-OE2 3.31Å; K36-E77 WeakPolarHBondContact CE-OE2 3.47Å; K36-E77 IonicContact NZ-OE2 2.65Å; K36-E77 PolarHBondContact NZ-OE2 3.04Å; K36-V81 WeakPolarHBondContact CA-O 3.41Å
37K94.4Very high94.6Very high81 Ų8137.2 Ų37.235%0.35221%0.21SC..EExtended strand (participates in β ladder)trans-143161.1178-63.2-67.4178.7-178.70111.3T39 A43 G80 V81K37-T39 VanDerWaalsContact C-N 3.27Å; K37-T39 PolarHBondContact O-N 2.86Å; K37-A43 HydrophobicContact CB-CB 3.91Å; K37-A43 HydrophobicContact CG-CB 4.29Å; K37-G80 CarbonylContact O-C 3.59Å; K37-G80 WeakPolarHBondContact O-CA 3.44Å; K37-V81 PolarHBondContact N-O 3.25Å; K37-V81 PolarHBondContact O-N 2.9Å
38P94.2Very high94.7Very high110 Ų11042 Ų4271%0.71423%0.228SC*.SBendtrans-62-30.5179.9-25.235.4000114.6
39T93.1Very high94.8Very high73 Ų7346.3 Ų46.345%0.44825%0.246SC..SBendtrans-120149-179.4690000111.5K37 S42 A43K37-T39 VanDerWaalsContact C-N 3.27Å; K37-T39 PolarHBondContact O-N 2.86Å; T39-S42 PolarHBondContact O-N 3.11Å; T39-S42 WeakPolarHBondContact OG1-CB 3.29Å; T39-S42 PolarHBondContact OG1-N 3.26Å; T39-S42 PolarHBondContact OG1-OG 3.25Å; T39-A43 PolarHBondContact O-N 3.15Å
40C93.1Very high94.9Very high55 Ų5549.9 Ų49.937%0.37226%0.26SS..Hα-helixtrans-53.2-57.3177.3-1730000111.2S42 A43 E44 V81C40-S42 VanDerWaalsContact C-N 3.26Å; C40-S42 PolarHBondContact O-N 2.71Å; C40-S42 VanDerWaalsContact O-N 3.12Å; C40-A43 WeakPolarHBondContact O-CA 2.88Å; C40-A43 WeakPolarHBondContact O-CB 3.35Å; C40-A43 PolarHBondContact O-N 2.91Å; C40-E44 WeakPolarHBondContact O-CG 3.29Å; C40-E44 PolarHBondContact O-N 3.39Å; C40-E44 PolarHBondContact SG-OE1 3.4Å; C40-V81 HydrophobicContact CB-CB 4.43Å; C40-V81 HydrophobicContact CB-CG1 4.27Å; C40-V81 HydrophobicContact CB-CG2 3.99Å
41S94.8Very high95Very high82 Ų8249.1 Ų49.157%0.57326%0.257SS*.Hα-helixtrans-51.2-42.7179.8-1730000113.4E45S41-E45 VanDerWaalsContact O-CB 3.29Å; S41-E45 WeakPolarHBondContact O-CB 3.41Å; S41-E45 PolarHBondContact O-N 3.42Å
42S95.1Very high95.1Very high57 Ų5753.2 Ų53.240%0.39928%0.275SS..Hα-helixtrans-69.1-39178.7-580000112.1T39 C40 S46T39-S42 PolarHBondContact O-N 3.11Å; T39-S42 WeakPolarHBondContact OG1-CB 3.29Å; T39-S42 PolarHBondContact OG1-N 3.26Å; T39-S42 PolarHBondContact OG1-OG 3.25Å; C40-S42 VanDerWaalsContact C-N 3.26Å; C40-S42 PolarHBondContact O-N 2.71Å; C40-S42 VanDerWaalsContact O-N 3.12Å; S42-S46 WeakPolarHBondContact O-CB 3.39Å; S42-S46 PolarHBondContact O-N 3.03Å; S42-S46 VanDerWaalsContact O-N 3.1Å
43A94.6Very high95.2Very high0 Ų056.5 Ų56.50%029%0.288CS..Hα-helixtrans-64.2-51.6178.300000110.3K37 T39 C40 S46 A47 V81 A83K37-A43 HydrophobicContact CB-CB 3.91Å; K37-A43 HydrophobicContact CG-CB 4.29Å; T39-A43 PolarHBondContact O-N 3.15Å; C40-A43 WeakPolarHBondContact O-CA 2.88Å; C40-A43 WeakPolarHBondContact O-CB 3.35Å; C40-A43 PolarHBondContact O-N 2.91Å; A43-S46 PolarHBondContact O-N 3.16Å; A43-A47 WeakPolarHBondContact O-CB 3.39Å; A43-A47 PolarHBondContact O-N 2.85Å; A43-V81 HydrophobicContact CB-CB 4.06Å; A43-V81 HydrophobicContact CB-CG1 4.12Å; A43-V81 VanDerWaalsContact CB-O 3.28Å; A43-V81 WeakPolarHBondContact CB-O 3.38Å; A43-A83 VanDerWaalsContact C-CB 3.49Å; A43-A83 HydrophobicContact CB-CB 3.86Å
44E95.8Very high95.2Very high52 Ų5256.5 Ų56.524%0.24329%0.288CS..Hα-helixtrans-62.5-46.4-179.2-57.9-165.9158.700112.2C40 S46 A47 R48 F72 A83C40-E44 WeakPolarHBondContact O-CG 3.29Å; C40-E44 PolarHBondContact O-N 3.39Å; C40-E44 PolarHBondContact SG-OE1 3.4Å; E44-S46 VanDerWaalsContact C-N 3.33Å; E44-S46 PolarHBondContact O-N 3.33Å; E44-A47 PolarHBondContact O-N 2.78Å; E44-R48 WeakPolarHBondContact O-CB 3.39Å; E44-R48 PolarHBondContact O-N 2.79Å; E44-R48 IonicContact OE2-NH2 3.76Å; E44-F72 HydrophobicContact CB-CZ 4.15Å; E44-F72 HydrophobicContact CG-CZ 3.82Å; E44-A83 HydrophobicContact CG-CB 4.42Å
45E96.1Very high95.3Very high86 Ų8658 Ų5840%0.40229%0.292SS..Hα-helixtrans-66.1-39.2-179.2-173.7174.7168.200111.6S41 K49S41-E45 VanDerWaalsContact O-CB 3.29Å; S41-E45 WeakPolarHBondContact O-CB 3.41Å; S41-E45 PolarHBondContact O-N 3.42Å; E45-K49 HydrophobicContact CG-CD 4.36Å; E45-K49 WeakPolarHBondContact O-CB 3.25Å; E45-K49 WeakPolarHBondContact O-CG 3.14Å; E45-K49 PolarHBondContact O-N 3.43Å; E45-K49 WeakPolarHBondContact OE1-CE 3.35Å; E45-K49 IonicContact OE1-NZ 3.76Å; E45-K49 PolarHBondContact OE1-NZ 3.47Å
46S95Very high95.3Very high13 Ų1363.1 Ų63.19%0.09132%0.315CS..Hα-helixtrans-63.2-49.2174.31760000111S35 S42 A43 E44 K49 R50S35-S46 WeakPolarHBondContact OG-CB 3.44Å; S35-S46 PolarHBondContact OG-OG 2.88Å; S42-S46 WeakPolarHBondContact O-CB 3.39Å; S42-S46 PolarHBondContact O-N 3.03Å; S42-S46 VanDerWaalsContact O-N 3.1Å; A43-S46 PolarHBondContact O-N 3.16Å; E44-S46 VanDerWaalsContact C-N 3.33Å; E44-S46 PolarHBondContact O-N 3.33Å; S46-K49 PolarHBondContact O-N 3.37Å; S46-R50 WeakPolarHBondContact O-CD 3.26Å; S46-R50 PolarHBondContact O-N 2.87Å
47A95.3Very high95.4Very high0 Ų059 Ų590%030%0.299CS..Hα-helixtrans-59.6-48.2176.900000111.5A43 E44 K49 R50 A51 A83 Y85A43-A47 WeakPolarHBondContact O-CB 3.39Å; A43-A47 PolarHBondContact O-N 2.85Å; E44-A47 PolarHBondContact O-N 2.78Å; A47-K49 PolarHBondContact O-N 3.16Å; A47-R50 PolarHBondContact O-N 3.47Å; A47-R50 VanDerWaalsContact O-N 3.12Å; A47-A51 WeakPolarHBondContact O-CB 3.4Å; A47-A51 PolarHBondContact O-N 2.96Å; A47-A83 HydrophobicContact CB-CB 3.76Å; A47-Y85 HydrophobicContact CB-CD2 4.05Å; A47-Y85 HydrophobicContact CB-CE2 4.41Å
48R95.9Very high95.4Very high102 Ų10255.1 Ų55.139%0.38528%0.283SS..Hα-helixtrans-57.7-46.3179.6-170.1-175.4-58.8117.55.1112E44 R50 A51 E52 Y85E44-R48 WeakPolarHBondContact O-CB 3.39Å; E44-R48 PolarHBondContact O-N 2.79Å; E44-R48 IonicContact OE2-NH2 3.76Å; R48-R50 VanDerWaalsContact C-N 3.29Å; R48-R50 PolarHBondContact O-N 2.75Å; R48-A51 PolarHBondContact O-N 3.15Å; R48-E52 PolarHBondContact O-N 2.88Å; R48-Y85 HydrophobicContact CB-CE2 4.12Å
49K96.6Very high95.3Very high116 Ų11655.6 Ų55.650%0.50427%0.271SS..Hα-helixtrans-59.6-37.9177.1-75.9174.8-175.8169.50112.6E45 S46 A47 Y53E45-K49 HydrophobicContact CG-CD 4.36Å; E45-K49 WeakPolarHBondContact O-CB 3.25Å; E45-K49 WeakPolarHBondContact O-CG 3.14Å; E45-K49 PolarHBondContact O-N 3.43Å; E45-K49 WeakPolarHBondContact OE1-CE 3.35Å; E45-K49 IonicContact OE1-NZ 3.76Å; E45-K49 PolarHBondContact OE1-NZ 3.47Å; S46-K49 PolarHBondContact O-N 3.37Å; A47-K49 PolarHBondContact O-N 3.16Å; K49-Y53 PolarHBondContact O-N 2.92Å
50R97Very high95.2Very high76 Ų7658.5 Ų58.529%0.28728%0.284SS..Hα-helixtrans-79.3-33.3178-79.979.7-174.5143.31.2111.7V33 S46 A47 R48 E52 Y53 A54 L108 Y111V33-R50 HydrophobicContact CG1-CB 3.55Å; S46-R50 WeakPolarHBondContact O-CD 3.26Å; S46-R50 PolarHBondContact O-N 2.87Å; A47-R50 PolarHBondContact O-N 3.47Å; A47-R50 VanDerWaalsContact O-N 3.12Å; R48-R50 VanDerWaalsContact C-N 3.29Å; R48-R50 PolarHBondContact O-N 2.75Å; R50-E52 VanDerWaalsContact C-N 3.34Å; R50-Y53 PolarHBondContact O-N 3.46Å; R50-A54 WeakPolarHBondContact O-CB 3.24Å; R50-A54 PolarHBondContact O-N 3.22Å; R50-L108 HydrophobicContact CB-CD1 4.16Å; R50-L108 HydrophobicContact CG-CD1 4.3Å; R50-L108 HydrophobicContact CG-CD2 3.85Å; R50-Y111 HydrophobicContact CB-CG 4.49Å; R50-Y111 HydrophobicContact CG-CD1 3.97Å; R50-Y111 HydrophobicContact CG-CD2 3.98Å; R50-Y111 HydrophobicContact CG-CE1 4.27Å; R50-Y111 HydrophobicContact CG-CE2 4.26Å; R50-Y111 HydrophobicContact CG-CG 3.83Å
51A96.9Very high94.6Very high0 Ų057.3 Ų57.30%028%0.28CS..Hα-helixtrans-63.8-39.6173.300000110.9A47 R48 Y53 A54 R55 Y85 F87A47-A51 WeakPolarHBondContact O-CB 3.4Å; A47-A51 PolarHBondContact O-N 2.96Å; R48-A51 PolarHBondContact O-N 3.15Å; A51-Y53 PolarHBondContact O-N 3.38Å; A51-A54 PolarHBondContact O-N 3.43Å; A51-R55 VanDerWaalsContact O-CB 3.26Å; A51-R55 WeakPolarHBondContact O-CB 3.01Å; A51-R55 PolarHBondContact O-N 3.44Å; A51-Y85 HydrophobicContact CB-CD1 3.81Å; A51-Y85 HydrophobicContact CB-CD2 3.74Å; A51-Y85 HydrophobicContact CB-CE1 4.36Å; A51-Y85 HydrophobicContact CB-CE2 4.32Å; A51-Y85 HydrophobicContact CB-CG 3.48Å; A51-Y85 VanDerWaalsContact CB-CG 3.48Å; A51-F87 HydrophobicContact CB-CE2 4.18Å; A51-F87 HydrophobicContact CB-CZ 4Å; A51-F87 WeakPolarHBondContact O-CZ 3.38Å
52E97Very high93.9Very high85 Ų8564.9 Ų64.940%0.39730%0.296SS..Hα-helixtrans-60.2-45.2172.3-75-52.2146.800112.5R48 R50 A54 R55 Q56R48-E52 PolarHBondContact O-N 2.88Å; R50-E52 VanDerWaalsContact C-N 3.34Å; E52-A54 VanDerWaalsContact C-N 3.35Å; E52-A54 PolarHBondContact O-N 3.22Å; E52-R55 PolarHBondContact O-N 2.97Å; E52-R55 IonicContact OE1-CZ 3.4Å; E52-R55 IonicContact OE1-NH1 3.95Å; E52-R55 PolarHBondContact OE1-NH1 3.43Å; E52-R55 IonicContact OE2-CZ 3.65Å; E52-R55 IonicContact OE2-NH1 2.66Å; E52-R55 PolarHBondContact OE2-NH1 3.5Å; E52-Q56 WeakPolarHBondContact O-CG 3.42Å; E52-Q56 PolarHBondContact O-N 3.3Å
53Y96.1Very high93.6Very high79 Ų7962.7 Ų62.731%0.3128%0.28SS..Hα-helixtrans-61.4-44.8175.2-176.9-88.3000111.7K49 R50 A51 Q56 A57 Y103 K107 L108K49-Y53 PolarHBondContact O-N 2.92Å; R50-Y53 PolarHBondContact O-N 3.46Å; A51-Y53 PolarHBondContact O-N 3.38Å; Y53-Q56 PolarHBondContact O-N 2.98Å; Y53-A57 PolarHBondContact O-N 2.84Å; Y53-Y103 HydrophobicContact CE1-CE1 4.48Å; Y53-Y103 PolarHBondContact OH-OH 3.37Å; Y53-K107 HydrophobicContact CE1-CB 3.8Å; Y53-K107 HydrophobicContact CE1-CG 4.34Å; Y53-K107 WeakPolarHBondContact OH-CG 3.4Å; Y53-L108 HydrophobicContact CD1-CD1 3.59Å; Y53-L108 HydrophobicContact CD1-CG 4Å; Y53-L108 HydrophobicContact CE1-CD1 4.32Å; Y53-L108 HydrophobicContact CE1-CG 4.32Å; Y53-L108 HydrophobicContact CG-CD1 4.36Å
54A95.7Very high93.2Very high0 Ų070 Ų700%031%0.312CS..Hα-helixtrans-62.1-44.1177.600000111.4V33 R50 A51 E52 Q56 A57 I58 F87 L104V33-A54 HydrophobicContact CG2-CB 3.96Å; R50-A54 WeakPolarHBondContact O-CB 3.24Å; R50-A54 PolarHBondContact O-N 3.22Å; A51-A54 PolarHBondContact O-N 3.43Å; E52-A54 VanDerWaalsContact C-N 3.35Å; E52-A54 PolarHBondContact O-N 3.22Å; A54-Q56 PolarHBondContact O-N 3Å; A54-A57 PolarHBondContact O-N 2.65Å; A54-A57 VanDerWaalsContact O-N 3.16Å; A54-I58 WeakPolarHBondContact O-CD1 3.48Å; A54-I58 WeakPolarHBondContact O-CG1 3.37Å; A54-I58 PolarHBondContact O-N 3.05Å; A54-F87 HydrophobicContact CB-CE2 4.11Å; A54-F87 HydrophobicContact CB-CZ 4.38Å; A54-L104 HydrophobicContact CB-CD2 4.1Å
55R96.3Very high92.7Very high47 Ų4776.6 Ų76.618%0.17734%0.34CS..Hα-helixtrans-57.6-49.9175.2-169.9177.2-59.7103.8-5.4110.9A51 E52 A57 I58 Y59 E70 F87A51-R55 VanDerWaalsContact O-CB 3.26Å; A51-R55 WeakPolarHBondContact O-CB 3.01Å; A51-R55 PolarHBondContact O-N 3.44Å; E52-R55 PolarHBondContact O-N 2.97Å; E52-R55 IonicContact OE1-CZ 3.4Å; E52-R55 IonicContact OE1-NH1 3.95Å; E52-R55 PolarHBondContact OE1-NH1 3.43Å; E52-R55 IonicContact OE2-CZ 3.65Å; E52-R55 IonicContact OE2-NH1 2.66Å; E52-R55 PolarHBondContact OE2-NH1 3.5Å; R55-A57 VanDerWaalsContact C-N 3.31Å; R55-A57 PolarHBondContact O-N 2.94Å; R55-I58 PolarHBondContact O-N 2.9Å; R55-I58 VanDerWaalsContact O-N 3.15Å; R55-Y59 HydrophobicContact CG-CD2 3.58Å; R55-Y59 HydrophobicContact CG-CE2 3.61Å; R55-Y59 VanDerWaalsContact O-CD2 3.27Å; R55-Y59 WeakPolarHBondContact O-CD2 3.48Å; R55-Y59 PolarHBondContact O-N 3.2Å; R55-E70 IonicContact CZ-OE1 3.73Å; R55-E70 IonicContact CZ-OE2 3.82Å; R55-E70 VanDerWaalsContact NE-CD 3.35Å; R55-E70 IonicContact NE-OE1 3.98Å; R55-E70 PolarHBondContact NE-OE1 2.93Å; R55-E70 IonicContact NE-OE2 2.86Å; R55-E70 PolarHBondContact NE-OE2 3.42Å; R55-E70 IonicContact NH2-OE1 2.77Å; R55-E70 IonicContact NH2-OE2 3.97Å; R55-E70 PolarHBondContact NH2-OE2 2.98Å; R55-F87 HydrophobicContact CB-CE1 4.08Å; R55-F87 HydrophobicContact CB-CZ 4.32Å; R55-F87 HydrophobicContact CG-CE1 4.45Å
56Q95.3Very high92.6Very high111 Ų11175.2 Ų75.252%0.51933%0.333SS..Hα-helixtrans-58-42.7175.4-72.7177.85.700112E52 Y53 A54 N60E52-Q56 WeakPolarHBondContact O-CG 3.42Å; E52-Q56 PolarHBondContact O-N 3.3Å; Y53-Q56 PolarHBondContact O-N 2.98Å; A54-Q56 PolarHBondContact O-N 3Å; Q56-N60 WeakPolarHBondContact O-CA 3.39Å; Q56-N60 WeakPolarHBondContact O-CB 3.38Å; Q56-N60 PolarHBondContact O-N 2.87Å; Q56-N60 PolarHBondContact O-ND2 2.95Å
57A94.3Very high92.5Very high14 Ų1479.2 Ų79.212%0.11635%0.353CS..Hα-helixtrans-67-34.9177.200000113.1Y53 A54 R55 G61 L100 Y103 L104Y53-A57 PolarHBondContact O-N 2.84Å; A54-A57 PolarHBondContact O-N 2.65Å; A54-A57 VanDerWaalsContact O-N 3.16Å; R55-A57 VanDerWaalsContact C-N 3.31Å; R55-A57 PolarHBondContact O-N 2.94Å; A57-G61 VanDerWaalsContact O-CA 3.29Å; A57-G61 WeakPolarHBondContact O-CA 3.43Å; A57-G61 PolarHBondContact O-N 2.78Å; A57-L100 HydrophobicContact CB-CD1 4.3Å; A57-L100 WeakPolarHBondContact O-CD1 3.12Å; A57-Y103 HydrophobicContact CB-CD1 4.24Å; A57-Y103 HydrophobicContact CB-CE1 3.96Å; A57-L104 HydrophobicContact CB-CD2 3.73Å
58I94.5Very high92.5Very high0 Ų080 Ų800%036%0.358CS..Hα-helixtrans-65.6-51.8175.1-67.8157.3000110.1A54 R55 G61 F66 V68 F87 I89 L100A54-I58 WeakPolarHBondContact O-CD1 3.48Å; A54-I58 WeakPolarHBondContact O-CG1 3.37Å; A54-I58 PolarHBondContact O-N 3.05Å; R55-I58 PolarHBondContact O-N 2.9Å; R55-I58 VanDerWaalsContact O-N 3.15Å; I58-G61 PolarHBondContact O-N 2.79Å; I58-F66 HydrophobicContact CG2-CD2 4.49Å; I58-F66 HydrophobicContact CG2-CE2 3.94Å; I58-V68 HydrophobicContact CG2-CG2 3.86Å; I58-F87 HydrophobicContact CD1-CB 4.1Å; I58-F87 HydrophobicContact CD1-CD1 3.63Å; I58-F87 HydrophobicContact CD1-CD2 4.36Å; I58-F87 HydrophobicContact CD1-CE1 4.11Å; I58-F87 HydrophobicContact CD1-CG 3.77Å; I58-I89 HydrophobicContact CD1-CD1 3.88Å; I58-I89 HydrophobicContact CG1-CD1 3.87Å; I58-I89 HydrophobicContact CG2-CD1 4.04Å; I58-L100 HydrophobicContact CB-CD2 4.41Å; I58-L100 HydrophobicContact CG1-CD2 3.95Å
59Y92.8Very high92.6Very high119 Ų11977.7 Ų77.747%0.46736%0.355SS..Hα-helixtrans-79.4-32.7-174.1-76.1-77.5000114.2R55 G61 F66R55-Y59 HydrophobicContact CG-CD2 3.58Å; R55-Y59 HydrophobicContact CG-CE2 3.61Å; R55-Y59 VanDerWaalsContact O-CD2 3.27Å; R55-Y59 WeakPolarHBondContact O-CD2 3.48Å; R55-Y59 PolarHBondContact O-N 3.2Å; Y59-G61 VanDerWaalsContact C-N 3.27Å; Y59-F66 HydrophobicContact CD1-CE2 4.11Å; Y59-F66 HydrophobicContact CD1-CZ 4.01Å; Y59-F66 HydrophobicContact CE1-CE2 4.07Å; Y59-F66 HydrophobicContact CE1-CZ 4.38Å
60N90.3Very high92.5Very high135 Ų13575.3 Ų75.372%0.72235%0.346SS*.SBendtrans-83.5-10.6172.7-60.3-24000112Q56Q56-N60 WeakPolarHBondContact O-CA 3.39Å; Q56-N60 WeakPolarHBondContact O-CB 3.38Å; Q56-N60 PolarHBondContact O-N 2.87Å; Q56-N60 PolarHBondContact O-ND2 2.95Å
61G80.3Confident92.5Very high29 Ų2975.6 Ų75.630%0.29935%0.35SS..SBendtrans-62.2156.4175.300000111.3A57 I58 Y59 L63A57-G61 VanDerWaalsContact O-CA 3.29Å; A57-G61 WeakPolarHBondContact O-CA 3.43Å; A57-G61 PolarHBondContact O-N 2.78Å; I58-G61 PolarHBondContact O-N 2.79Å; Y59-G61 VanDerWaalsContact C-N 3.27Å; G61-L63 PolarHBondContact O-N 2.78Å
62R81.2Confident92.4Very high241 Ų24179.3 Ų79.391%0.90937%0.367SS*.  trans-77.819.5175.2-62.8-175.7178.3-175.8-0.6113K64R62-K64 PolarHBondContact O-N 2.92Å
63L88.4Confident92.2Very high12 Ų1278.3 Ų78.36%0.06336%0.364CS..  trans-67.8125.3-177.7-167.467.7000108.8G61 F66 I89 T91 D93 I97 L100G61-L63 PolarHBondContact O-N 2.78Å; L63-F66 HydrophobicContact CB-CD1 3.83Å; L63-F66 HydrophobicContact CB-CE1 4.12Å; L63-F66 HydrophobicContact CB-CG 4.44Å; L63-F66 HydrophobicContact CD2-CB 3.6Å; L63-F66 HydrophobicContact CD2-CD1 3.9Å; L63-F66 HydrophobicContact CD2-CD2 4.17Å; L63-F66 HydrophobicContact CD2-CG 3.63Å; L63-F66 HydrophobicContact CG-CB 4.02Å; L63-F66 HydrophobicContact CG-CD1 3.84Å; L63-F66 HydrophobicContact CG-CG 4.05Å; L63-F66 WeakPolarHBondContact O-CD1 3.44Å; L63-F66 VanDerWaalsContact O-CE1 3.24Å; L63-F66 WeakPolarHBondContact O-CE1 3.45Å; L63-I89 HydrophobicContact CD2-CG2 3.89Å; L63-T91 HydrophobicContact CD1-CG2 4.17Å; L63-T91 HydrophobicContact CD2-CG2 4.41Å; L63-D93 HydrophobicContact CD1-CB 3.97Å; L63-I97 HydrophobicContact CD1-CB 4.18Å; L63-L100 HydrophobicContact CD2-CD2 4.38Å
64K86.1Confident92.1Very high152 Ų15276 Ų7666%0.66136%0.362SS*.  trans-95.1145.1-179.1-64.5179-177.1175.60110.9R62 F66 T91 D93R62-K64 PolarHBondContact O-N 2.92Å; K64-F66 PolarHBondContact O-N 3.27Å; K64-T91 PolarHBondContact O-OG1 2.93Å; K64-T91 VanDerWaalsContact O-OG1 3.08Å; K64-D93 HydrophobicContact CB-CB 4.45Å; K64-D93 PolarHBondContact N-OD2 3.31Å
65K84.8Confident91.8Very high191 Ų19178.3 Ų78.383%0.8338%0.375SS*.SBendtrans44.564.6170.3-62.1-178.2179.1-178.50112.3
66F93.8Very high91.5Very high57 Ų5781.6 Ų81.625%0.2540%0.401CS..EExtended strand (participates in β ladder)trans-119.4155.4-179.367.4-85.5000111.4I58 Y59 L63 K64 V68 I89 T90I58-F66 HydrophobicContact CG2-CD2 4.49Å; I58-F66 HydrophobicContact CG2-CE2 3.94Å; Y59-F66 HydrophobicContact CD1-CE2 4.11Å; Y59-F66 HydrophobicContact CD1-CZ 4.01Å; Y59-F66 HydrophobicContact CE1-CE2 4.07Å; Y59-F66 HydrophobicContact CE1-CZ 4.38Å; L63-F66 HydrophobicContact CB-CD1 3.83Å; L63-F66 HydrophobicContact CB-CE1 4.12Å; L63-F66 HydrophobicContact CB-CG 4.44Å; L63-F66 HydrophobicContact CD2-CB 3.6Å; L63-F66 HydrophobicContact CD2-CD1 3.9Å; L63-F66 HydrophobicContact CD2-CD2 4.17Å; L63-F66 HydrophobicContact CD2-CG 3.63Å; L63-F66 HydrophobicContact CG-CB 4.02Å; L63-F66 HydrophobicContact CG-CD1 3.84Å; L63-F66 HydrophobicContact CG-CG 4.05Å; L63-F66 WeakPolarHBondContact O-CD1 3.44Å; L63-F66 VanDerWaalsContact O-CE1 3.24Å; L63-F66 WeakPolarHBondContact O-CE1 3.45Å; K64-F66 PolarHBondContact O-N 3.27Å; F66-V68 HydrophobicContact CD2-CG2 3.52Å; F66-V68 HydrophobicContact CE2-CG2 3.59Å; F66-I89 HydrophobicContact CB-CG2 4.38Å; F66-T90 CarbonylContact C-O 3.55Å; F66-T90 WeakPolarHBondContact CA-O 3.39Å
67N94.4Very high91.1Very high97 Ų9778.7 Ų78.752%0.51939%0.387SS..EExtended strand (participates in β ladder)trans-120.5142.9167.9-177.653.7000108.6I89 T90N67-I89 WeakPolarHBondContact O-CA 3.49Å; N67-T90 PolarHBondContact N-O 2.99Å; N67-T90 PolarHBondContact O-N 2.61Å
68V95.8Very high90.6Very high18 Ų1885.6 Ų85.611%0.10942%0.422CS..EExtended strand (participates in β ladder)trans-124.4126.6177.6-171.20000108.3I58 F66 E70 F87 E88 I89I58-V68 HydrophobicContact CG2-CG2 3.86Å; F66-V68 HydrophobicContact CD2-CG2 3.52Å; F66-V68 HydrophobicContact CE2-CG2 3.59Å; V68-E70 HydrophobicContact CG1-CG 3.95Å; V68-F87 HydrophobicContact CG1-CB 4.39Å; V68-F87 HydrophobicContact CG1-CD1 4.01Å; V68-E88 WeakPolarHBondContact CA-O 3.46Å; V68-I89 HydrophobicContact CG1-CG1 4.36Å; V68-I89 HydrophobicContact CG2-CG1 4.34Å
69V96.3Very high90.2Very high53 Ų5392.1 Ų92.132%0.32146%0.457SS..EExtended strand (participates in β ladder)trans-112130166.3-175.50000107.6H71 E88V69-H71 WeakPolarHBondContact CG1-NE2 3.37Å; V69-E88 HydrophobicContact CB-CB 4.26Å; V69-E88 PolarHBondContact N-O 3.42Å; V69-E88 PolarHBondContact O-N 3.26Å
70E96.2Very high90Very high65 Ų6587.1 Ų87.130%0.30444%0.441SS..EExtended strand (participates in β ladder)trans-110.2137.6-176.4-59.6-171.4-156.600110.8R55 V68 K86 F87R55-E70 IonicContact CZ-OE1 3.73Å; R55-E70 IonicContact CZ-OE2 3.82Å; R55-E70 VanDerWaalsContact NE-CD 3.35Å; R55-E70 IonicContact NE-OE1 3.98Å; R55-E70 PolarHBondContact NE-OE1 2.93Å; R55-E70 IonicContact NE-OE2 2.86Å; R55-E70 PolarHBondContact NE-OE2 3.42Å; R55-E70 IonicContact NH2-OE1 2.77Å; R55-E70 IonicContact NH2-OE2 3.97Å; R55-E70 PolarHBondContact NH2-OE2 2.98Å; V68-E70 HydrophobicContact CG1-CG 3.95Å; E70-K86 CarbonylContact C-O 3.51Å; E70-K86 WeakPolarHBondContact CA-O 3.35Å; E70-F87 VanDerWaalsContact CD-CE1 3.48Å; E70-F87 HydrophobicContact CG-CD1 3.75Å; E70-F87 HydrophobicContact CG-CE1 3.91Å
71H95.6Very high90.1Very high83 Ų8381.2 Ų81.238%0.38441%0.41SS..EExtended strand (participates in β ladder)trans-131.9148.1173.4-58.5-77.7000110V69 Y85 K86V69-H71 WeakPolarHBondContact CG1-NE2 3.37Å; H71-Y85 CarbonylContact O-C 3.5Å; H71-Y85 WeakPolarHBondContact O-CA 3.43Å; H71-K86 HydrophobicContact CB-CB 4.28Å; H71-K86 PolarHBondContact N-O 3.37Å; H71-K86 PolarHBondContact O-N 3.44Å
72F95.4Very high90.7Very high78 Ų7880.6 Ų80.634%0.34240%0.4SS..EExtended strand (participates in β ladder)trans-128.5135.2175174.5-111.3000109.2E44 A74 A83 V84 Y85E44-F72 HydrophobicContact CB-CZ 4.15Å; E44-F72 HydrophobicContact CG-CZ 3.82Å; F72-A74 HydrophobicContact CZ-CB 4.25Å; F72-A83 HydrophobicContact CE2-CB 4.12Å; F72-A83 HydrophobicContact CZ-CB 4.38Å; F72-V84 WeakPolarHBondContact CA-O 3.42Å; F72-V84 WeakPolarHBondContact CD2-O 3.2Å; F72-Y85 HydrophobicContact CB-CD1 4.23Å; F72-Y85 HydrophobicContact CB-CE1 3.94Å; F72-Y85 HydrophobicContact CB-CE2 4.46Å; F72-Y85 HydrophobicContact CD2-CD1 4.23Å; F72-Y85 AromaticContact CD2-CD2 3.31Å; F72-Y85 HydrophobicContact CD2-CD2 3.31Å; F72-Y85 HydrophobicContact CD2-CE1 4.04Å; F72-Y85 AromaticContact CD2-CE2 3.05Å; F72-Y85 HydrophobicContact CD2-CE2 3.05Å; F72-Y85 AromaticContact CD2-CG 3.89Å; F72-Y85 HydrophobicContact CD2-CG 3.89Å; F72-Y85 AromaticContact CD2-CZ 3.43Å; F72-Y85 VanDerWaalsContact CD2-CZ 3.43Å; F72-Y85 AromaticContact CE2-CD2 3.72Å; F72-Y85 HydrophobicContact CE2-CD2 3.72Å; F72-Y85 AromaticContact CE2-CE2 3.32Å; F72-Y85 HydrophobicContact CE2-CE2 3.32Å; F72-Y85 HydrophobicContact CG-CD2 4.36Å; F72-Y85 HydrophobicContact CG-CE1 4.21Å; F72-Y85 AromaticContact CG-CE2 3.89Å; F72-Y85 HydrophobicContact CG-CE2 3.89Å; F72-Y85 AromaticContact CG-CZ 3.78Å; F72-Y85 HydrophobicContact CZ-CE2 4.34Å
73D93.3Very high91.4Very high63 Ų6369.1 Ų69.134%0.33736%0.357SS..EExtended strand (participates in β ladder)trans-142.1154.8173.8-159.9-0.9000110.1V84 F184D73-V84 PolarHBondContact N-O 2.93Å; D73-V84 PolarHBondContact O-N 2.8Å; D73-F184 HydrophobicContact CB-CD1 4.29Å; D73-F184 HydrophobicContact CB-CD2 4.27Å; D73-F184 HydrophobicContact CB-CE1 4.11Å; D73-F184 HydrophobicContact CB-CE2 4.08Å; D73-F184 HydrophobicContact CB-CG 4.36Å; D73-F184 HydrophobicContact CB-CZ 3.99Å; D73-F184 WeakPolarHBondContact OD2-CD2 3.35Å
74A92.3Very high91.7Very high32 Ų3268.8 Ų68.826%0.26436%0.355SS..EExtended strand (participates in β ladder)trans-139117.3175.800000109.4F72 V81 N82 A83F72-A74 HydrophobicContact CZ-CB 4.25Å; A74-V81 HydrophobicContact CB-CG1 4.25Å; A74-N82 WeakPolarHBondContact CA-O 3.44Å; A74-A83 HydrophobicContact CB-CB 4.48Å
75V90Very high92.2Very high48 Ų4863 Ų6329%0.29133%0.329SS..EExtended strand (participates in β ladder)trans-110.6128.4-177-175.90000109.4N82V75-N82 PolarHBondContact N-O 3.24Å; V75-N82 PolarHBondContact O-N 2.97Å
76T90.4Very high92.7Very high115 Ų11555.5 Ų55.571%0.70630%0.297SS*.EExtended strand (participates in β ladder)trans-77.2127.1170.9-54.90000109.3
77E87.4Confident92.9Very high51 Ų5152.8 Ų52.824%0.23829%0.285CS..EExtended strand (participates in β ladder)trans-122.1164.3177.4-61.4176-171.500109.4K36 N79 G80 N82K36-E77 VanDerWaalsContact CE-OE2 3.31Å; K36-E77 WeakPolarHBondContact CE-OE2 3.47Å; K36-E77 IonicContact NZ-OE2 2.65Å; K36-E77 PolarHBondContact NZ-OE2 3.04Å; E77-N79 PolarHBondContact O-N 3.49Å; E77-G80 CarbonylContact C-O 3.59Å; E77-G80 WeakPolarHBondContact CA-O 2.88Å; E77-G80 PolarHBondContact N-O 2.89Å; E77-G80 PolarHBondContact O-N 2.95Å; E77-N82 HydrophobicContact CG-CB 4.46Å; E77-N82 VanDerWaalsContact OE1-CB 3.26Å; E77-N82 WeakPolarHBondContact OE1-CB 3.37Å; E77-N82 PolarHBondContact OE1-ND2 2.95Å
78D83.3Confident93Very high159 Ų15949.8 Ų49.885%0.8527%0.268SS*.THydrogen-bonded Turntrans-52.9-28.1-174.8-60.2-28.4000114.5
79N85Confident93Very high137 Ų13749 Ų4973%0.73326%0.263SS*.THydrogen-bonded Turntrans-115.629.6-176-68-35000113.3E77E77-N79 PolarHBondContact O-N 3.49Å
80G90.5Very high93Very high13 Ų1348.5 Ų48.513%0.13426%0.26CS..EExtended strand (participates in β ladder)trans124-164.117500000113.4K37 E77K37-G80 CarbonylContact O-C 3.59Å; K37-G80 WeakPolarHBondContact O-CA 3.44Å; E77-G80 CarbonylContact C-O 3.59Å; E77-G80 WeakPolarHBondContact CA-O 2.88Å; E77-G80 PolarHBondContact N-O 2.89Å; E77-G80 PolarHBondContact O-N 2.95Å
81V91.4Very high92.9Very high11 Ų1145.5 Ų45.57%0.06725%0.246CC..EExtended strand (participates in β ladder)trans-105.8133.8-177.8-177.70000110K36 K37 C40 A43 A74K36-V81 WeakPolarHBondContact CA-O 3.41Å; K37-V81 PolarHBondContact N-O 3.25Å; K37-V81 PolarHBondContact O-N 2.9Å; C40-V81 HydrophobicContact CB-CB 4.43Å; C40-V81 HydrophobicContact CB-CG1 4.27Å; C40-V81 HydrophobicContact CB-CG2 3.99Å; A43-V81 HydrophobicContact CB-CB 4.06Å; A43-V81 HydrophobicContact CB-CG1 4.12Å; A43-V81 VanDerWaalsContact CB-O 3.28Å; A43-V81 WeakPolarHBondContact CB-O 3.38Å; A74-V81 HydrophobicContact CB-CG1 4.25Å
82N93.3Very high92.9Very high16 Ų1644.7 Ų44.79%0.08625%0.249CC..EExtended strand (participates in β ladder)trans-107105.9174.5-175.418.5000109.4A74 V75 E77 C188A74-N82 WeakPolarHBondContact CA-O 3.44Å; V75-N82 PolarHBondContact N-O 3.24Å; V75-N82 PolarHBondContact O-N 2.97Å; E77-N82 HydrophobicContact CG-CB 4.46Å; E77-N82 VanDerWaalsContact OE1-CB 3.26Å; E77-N82 WeakPolarHBondContact OE1-CB 3.37Å; E77-N82 PolarHBondContact OE1-ND2 2.95Å; N82-C188 PolarHBondContact ND2-SG 3.41Å
83A95.4Very high92.8Very high0 Ų042.7 Ų42.70%024%0.242CC..EExtended strand (participates in β ladder)trans-93.1131176.700000109.9C34 S35 A43 E44 A47 F72 A74C34-A83 CarbonylContact C-O 3.43Å; C34-A83 WeakPolarHBondContact CA-O 3.24Å; S35-A83 PolarHBondContact N-O 2.91Å; S35-A83 PolarHBondContact O-N 2.87Å; A43-A83 VanDerWaalsContact C-CB 3.49Å; A43-A83 HydrophobicContact CB-CB 3.86Å; E44-A83 HydrophobicContact CG-CB 4.42Å; A47-A83 HydrophobicContact CB-CB 3.76Å; F72-A83 HydrophobicContact CE2-CB 4.12Å; F72-A83 HydrophobicContact CZ-CB 4.38Å; A74-A83 HydrophobicContact CB-CB 4.48Å
84V95.3Very high92.7Very high6 Ų640.9 Ų40.94%0.03623%0.232CC..EExtended strand (participates in β ladder)trans-130.3122.1-175.4-171.10000110.7L32 V33 C34 F72 D73 F184L32-V84 HydrophobicContact CB-CG1 4.16Å; L32-V84 HydrophobicContact CD2-CG1 4.27Å; V33-V84 WeakPolarHBondContact O-CA 3.47Å; C34-V84 HydrophobicContact CB-CG2 4.37Å; F72-V84 WeakPolarHBondContact CA-O 3.42Å; F72-V84 WeakPolarHBondContact CD2-O 3.2Å; D73-V84 PolarHBondContact N-O 2.93Å; D73-V84 PolarHBondContact O-N 2.8Å; V84-F184 HydrophobicContact CB-CD1 4.26Å; V84-F184 HydrophobicContact CB-CE1 3.71Å; V84-F184 HydrophobicContact CG1-CD1 4.41Å; V84-F184 HydrophobicContact CG1-CE1 3.64Å; V84-F184 HydrophobicContact CG2-CD1 4.48Å; V84-F184 HydrophobicContact CG2-CE1 4.4Å
85Y96Very high92.7Very high30 Ų3042.9 Ų42.912%0.11824%0.244CC..EExtended strand (participates in β ladder)trans-96.4125.2163.7-87.5-97000109.2L32 V33 A47 R48 A51 H71 F72L32-Y85 CarbonylContact C-O 3.38Å; L32-Y85 WeakPolarHBondContact CA-O 3.38Å; V33-Y85 PolarHBondContact N-O 2.68Å; V33-Y85 PolarHBondContact O-N 2.92Å; A47-Y85 HydrophobicContact CB-CD2 4.05Å; A47-Y85 HydrophobicContact CB-CE2 4.41Å; R48-Y85 HydrophobicContact CB-CE2 4.12Å; A51-Y85 HydrophobicContact CB-CD1 3.81Å; A51-Y85 HydrophobicContact CB-CD2 3.74Å; A51-Y85 HydrophobicContact CB-CE1 4.36Å; A51-Y85 HydrophobicContact CB-CE2 4.32Å; A51-Y85 HydrophobicContact CB-CG 3.48Å; A51-Y85 VanDerWaalsContact CB-CG 3.48Å; H71-Y85 CarbonylContact O-C 3.5Å; H71-Y85 WeakPolarHBondContact O-CA 3.43Å; F72-Y85 HydrophobicContact CB-CD1 4.23Å; F72-Y85 HydrophobicContact CB-CE1 3.94Å; F72-Y85 HydrophobicContact CB-CE2 4.46Å; F72-Y85 HydrophobicContact CD2-CD1 4.23Å; F72-Y85 AromaticContact CD2-CD2 3.31Å; F72-Y85 HydrophobicContact CD2-CD2 3.31Å; F72-Y85 HydrophobicContact CD2-CE1 4.04Å; F72-Y85 AromaticContact CD2-CE2 3.05Å; F72-Y85 HydrophobicContact CD2-CE2 3.05Å; F72-Y85 AromaticContact CD2-CG 3.89Å; F72-Y85 HydrophobicContact CD2-CG 3.89Å; F72-Y85 AromaticContact CD2-CZ 3.43Å; F72-Y85 VanDerWaalsContact CD2-CZ 3.43Å; F72-Y85 AromaticContact CE2-CD2 3.72Å; F72-Y85 HydrophobicContact CE2-CD2 3.72Å; F72-Y85 AromaticContact CE2-CE2 3.32Å; F72-Y85 HydrophobicContact CE2-CE2 3.32Å; F72-Y85 HydrophobicContact CG-CD2 4.36Å; F72-Y85 HydrophobicContact CG-CE1 4.21Å; F72-Y85 AromaticContact CG-CE2 3.89Å; F72-Y85 HydrophobicContact CG-CE2 3.89Å; F72-Y85 AromaticContact CG-CZ 3.78Å; F72-Y85 HydrophobicContact CZ-CE2 4.34Å
86K96.2Very high92.9Very high34 Ų3441.2 Ų41.215%0.14824%0.237CC..EExtended strand (participates in β ladder)trans-106.5124.1174.9179.2172.987.5158.20109.8E30 I31 L32 E70 H71 F184E30-K86 HydrophobicContact CB-CD 4.49Å; E30-K86 HydrophobicContact CB-CG 4.5Å; E30-K86 HydrophobicContact CG-CD 4.2Å; E30-K86 WeakPolarHBondContact OE1-CD 3.42Å; E30-K86 WeakPolarHBondContact OE1-CE 3.3Å; E30-K86 IonicContact OE1-NZ 2.68Å; E30-K86 PolarHBondContact OE1-NZ 3.4Å; I31-K86 WeakPolarHBondContact O-CA 3.26Å; L32-K86 HydrophobicContact CD2-CB 3.7Å; L32-K86 HydrophobicContact CD2-CD 3.9Å; L32-K86 HydrophobicContact CD2-CG 3.6Å; E70-K86 CarbonylContact C-O 3.51Å; E70-K86 WeakPolarHBondContact CA-O 3.35Å; H71-K86 HydrophobicContact CB-CB 4.28Å; H71-K86 PolarHBondContact N-O 3.37Å; H71-K86 PolarHBondContact O-N 3.44Å; K86-F184 HydrophobicContact CB-CZ 4.3Å
87F96.7Very high93.1Very high0 Ų035.7 Ų35.70%020%0.203CC..EExtended strand (participates in β ladder)trans-104110.4168.3-60.1-92.9000108.4E30 I31 V33 A51 A54 R55 I58 V68 E70 I89E30-F87 WeakPolarHBondContact CA-O 3.29Å; I31-F87 HydrophobicContact CB-CB 4.27Å; I31-F87 PolarHBondContact N-O 3.38Å; I31-F87 PolarHBondContact O-N 2.93Å; V33-F87 HydrophobicContact CG2-CD2 4.23Å; V33-F87 HydrophobicContact CG2-CE2 3.76Å; A51-F87 HydrophobicContact CB-CE2 4.18Å; A51-F87 HydrophobicContact CB-CZ 4Å; A51-F87 WeakPolarHBondContact O-CZ 3.38Å; A54-F87 HydrophobicContact CB-CE2 4.11Å; A54-F87 HydrophobicContact CB-CZ 4.38Å; R55-F87 HydrophobicContact CB-CE1 4.08Å; R55-F87 HydrophobicContact CB-CZ 4.32Å; R55-F87 HydrophobicContact CG-CE1 4.45Å; I58-F87 HydrophobicContact CD1-CB 4.1Å; I58-F87 HydrophobicContact CD1-CD1 3.63Å; I58-F87 HydrophobicContact CD1-CD2 4.36Å; I58-F87 HydrophobicContact CD1-CE1 4.11Å; I58-F87 HydrophobicContact CD1-CG 3.77Å; V68-F87 HydrophobicContact CG1-CB 4.39Å; V68-F87 HydrophobicContact CG1-CD1 4.01Å; E70-F87 VanDerWaalsContact CD-CE1 3.48Å; E70-F87 HydrophobicContact CG-CD1 3.75Å; E70-F87 HydrophobicContact CG-CE1 3.91Å; F87-I89 HydrophobicContact CB-CD1 4.5Å; F87-I89 HydrophobicContact CB-CG1 4.27Å
88E96.4Very high93.3Very high34 Ų3436.2 Ų36.216%0.15921%0.205CC..EExtended strand (participates in β ladder)trans-92105.2172.4-176.3-180113.400108.5K28 V68 V69K28-E88 HydrophobicContact CD-CG 4.4Å; K28-E88 WeakPolarHBondContact CE-OE1 3.2Å; K28-E88 WeakPolarHBondContact CE-OE2 3.48Å; K28-E88 HydrophobicContact CG-CG 4.22Å; K28-E88 IonicContact NZ-OE1 2.63Å; K28-E88 PolarHBondContact NZ-OE1 3.34Å; K28-E88 IonicContact NZ-OE2 3.03Å; K28-E88 PolarHBondContact NZ-OE2 3.23Å; V68-E88 WeakPolarHBondContact CA-O 3.46Å; V69-E88 HydrophobicContact CB-CB 4.26Å; V69-E88 PolarHBondContact N-O 3.42Å; V69-E88 PolarHBondContact O-N 3.26Å
89I96.4Very high93.8Very high0 Ų033.9 Ų33.90%019%0.192CC..EExtended strand (participates in β ladder)trans-107121.9-174.3-54.7-180000109.3K28 V29 I31 I58 L63 F66 N67 V68 F87 I97 L100K28-I89 CarbonylContact C-O 3.54Å; K28-I89 WeakPolarHBondContact CA-O 3.1Å; V29-I89 PolarHBondContact N-O 3.18Å; V29-I89 PolarHBondContact O-N 2.8Å; I31-I89 HydrophobicContact CD1-CD1 3.61Å; I31-I89 HydrophobicContact CG1-CD1 4.28Å; I58-I89 HydrophobicContact CD1-CD1 3.88Å; I58-I89 HydrophobicContact CG1-CD1 3.87Å; I58-I89 HydrophobicContact CG2-CD1 4.04Å; L63-I89 HydrophobicContact CD2-CG2 3.89Å; F66-I89 HydrophobicContact CB-CG2 4.38Å; N67-I89 WeakPolarHBondContact O-CA 3.49Å; V68-I89 HydrophobicContact CG1-CG1 4.36Å; V68-I89 HydrophobicContact CG2-CG1 4.34Å; F87-I89 HydrophobicContact CB-CD1 4.5Å; F87-I89 HydrophobicContact CB-CG1 4.27Å; I89-I97 HydrophobicContact CD1-CD1 4.18Å; I89-I97 HydrophobicContact CG2-CD1 4.27Å; I89-L100 HydrophobicContact CD1-CD2 4.38Å
90T96.2Very high94.2Very high43 Ų4328 Ų2826%0.26416%0.16SC..EExtended strand (participates in β ladder)trans-108.7127.3171.3-55.50000109.5C27 F66 N67 F120C27-T90 WeakPolarHBondContact O-CA 3.35Å; F66-T90 CarbonylContact C-O 3.55Å; F66-T90 WeakPolarHBondContact CA-O 3.39Å; N67-T90 PolarHBondContact N-O 2.99Å; N67-T90 PolarHBondContact O-N 2.61Å; T90-F120 HydrophobicContact CG2-CE1 4.24Å; T90-F120 HydrophobicContact CG2-CZ 3.73Å
91T95.3Very high94.3Very high2 Ų227.7 Ų27.71%0.01216%0.156CC..EExtended strand (participates in β ladder)trans-153.3156-177.6-177.40000111.7C26 C27 L63 K64 D93 I97C26-T91 CarbonylContact C-O 3.49Å; C26-T91 VanDerWaalsContact CA-O 3.27Å; C26-T91 WeakPolarHBondContact CA-O 3.42Å; C26-T91 WeakPolarHBondContact CB-O 3.39Å; C27-T91 PolarHBondContact N-O 3.43Å; C27-T91 PolarHBondContact O-N 3Å; L63-T91 HydrophobicContact CD1-CG2 4.17Å; L63-T91 HydrophobicContact CD2-CG2 4.41Å; K64-T91 PolarHBondContact O-OG1 2.93Å; K64-T91 VanDerWaalsContact O-OG1 3.08Å; T91-D93 PolarHBondContact OG1-N 3.08Å; T91-I97 HydrophobicContact CG2-CB 4.05Å; T91-I97 HydrophobicContact CG2-CG2 4.26Å
92C94.2Very high94.3Very high67 Ų6729.2 Ų29.245%0.45317%0.174SC..SBendtrans-104.319.2167.7-53.80000112.9D25 C26D25-C92 CarbonylContact O-C 3.58Å; D25-C92 VanDerWaalsContact O-CA 3.23Å; D25-C92 WeakPolarHBondContact O-CA 3.47Å; D25-C92 WeakPolarHBondContact O-CB 3.27Å; C26-C92 HydrophobicContact CB-CB 4.03Å; C26-C92 WeakPolarHBondContact CB-SG 3.18Å; C26-C92 WeakPolarHBondContact SG-CB 3.42Å; C26-C92 CovalentContact SG-SG 2.05Å; C26-C92 PolarHBondContact SG-SG 3.29Å
93D93.6Very high94.4Very high36 Ų3633.7 Ų33.719%0.19319%0.19CC..  trans-111.772.8173.9-175.66.9000109.8L63 K64 T91 S95 G96 I97L63-D93 HydrophobicContact CD1-CB 3.97Å; K64-D93 HydrophobicContact CB-CB 4.45Å; K64-D93 PolarHBondContact N-OD2 3.31Å; T91-D93 PolarHBondContact OG1-N 3.08Å; D93-S95 PolarHBondContact O-N 2.94Å; D93-G96 PolarHBondContact O-N 2.97Å; D93-G96 VanDerWaalsContact O-N 3.1Å; D93-G96 PolarHBondContact OD1-N 3.42Å; D93-I97 PolarHBondContact O-N 2.89Å
94I92.4Very high94.3Very high24 Ų2433.7 Ų33.712%0.12319%0.19CC..Hα-helixtrans-57.6-35.8-178.4-67.2166.9000111.4P24 C27 I97 K98 W213 L217P24-I94 VanDerWaalsContact O-CD1 3.22Å; P24-I94 WeakPolarHBondContact O-CD1 3.45Å; C27-I94 HydrophobicContact CB-CG1 4.46Å; I94-I97 WeakPolarHBondContact O-CG2 3.22Å; I94-K98 HydrophobicContact CG2-CD 4.23Å; I94-K98 WeakPolarHBondContact O-CG 3.32Å; I94-K98 PolarHBondContact O-N 2.84Å; I94-W213 HydrophobicContact CG2-CE3 4.29Å; I94-W213 HydrophobicContact CG2-CZ3 4.19Å; I94-L217 HydrophobicContact CD1-CD2 3.95Å; I94-L217 HydrophobicContact CG2-CD2 4.44Å
95S92.3Very high94.2Very high74 Ų7437.1 Ų37.152%0.51720%0.204SC..Hα-helixtrans-69.1-44.3176.3-1740000111.4D93 I97 K98 N99D93-S95 PolarHBondContact O-N 2.94Å; S95-I97 PolarHBondContact O-N 2.67Å; S95-K98 WeakPolarHBondContact O-CB 3.48Å; S95-K98 PolarHBondContact O-N 3.25Å; S95-N99 VanDerWaalsContact O-CG 3.32Å; S95-N99 PolarHBondContact O-N 3.42Å; S95-N99 PolarHBondContact O-ND2 2.83Å; S95-N99 VanDerWaalsContact O-ND2 3.14Å
96G93.7Very high94Very high13 Ų1339.6 Ų39.613%0.13423%0.226CC..Hα-helixtrans-57.8-45.7176.200000112.8D93 N99 L100D93-G96 PolarHBondContact O-N 2.97Å; D93-G96 VanDerWaalsContact O-N 3.1Å; D93-G96 PolarHBondContact OD1-N 3.42Å; G96-N99 PolarHBondContact O-N 3.23Å; G96-L100 WeakPolarHBondContact O-CB 3.38Å; G96-L100 PolarHBondContact O-N 3.28Å
97I94.1Very high94Very high0 Ų043.4 Ų43.40%024%0.243CC..Hα-helixtrans-69.1-36.2179.4-168.958000112.3V29 I31 L63 I89 T91 D93 I94 S95 N99 L100 L101 W213V29-I97 HydrophobicContact CB-CG1 4.25Å; V29-I97 HydrophobicContact CG1-CG1 4.48Å; V29-I97 HydrophobicContact CG2-CG1 3.89Å; I31-I97 HydrophobicContact CD1-CD1 4.44Å; L63-I97 HydrophobicContact CD1-CB 4.18Å; I89-I97 HydrophobicContact CD1-CD1 4.18Å; I89-I97 HydrophobicContact CG2-CD1 4.27Å; T91-I97 HydrophobicContact CG2-CB 4.05Å; T91-I97 HydrophobicContact CG2-CG2 4.26Å; D93-I97 PolarHBondContact O-N 2.89Å; I94-I97 WeakPolarHBondContact O-CG2 3.22Å; S95-I97 PolarHBondContact O-N 2.67Å; I97-N99 VanDerWaalsContact C-N 3.34Å; I97-N99 PolarHBondContact O-N 3.18Å; I97-L100 HydrophobicContact CD1-CD2 3.96Å; I97-L100 PolarHBondContact O-N 2.75Å; I97-L101 HydrophobicContact CG1-CD1 4.35Å; I97-L101 WeakPolarHBondContact O-CB 3.24Å; I97-L101 WeakPolarHBondContact O-CG 3.21Å; I97-L101 PolarHBondContact O-N 2.5Å; I97-W213 HydrophobicContact CG2-CH2 3.69Å; I97-W213 HydrophobicContact CG2-CZ2 4.29Å; I97-W213 HydrophobicContact CG2-CZ3 4.35Å
98K92.4Very high93.8Very high62 Ų6244.4 Ų44.427%0.2725%0.248SC..Hα-helixtrans-57.6-48172-77.2171.3-179.2-175.40110.9I94 S95 L101 G102 W213I94-K98 HydrophobicContact CG2-CD 4.23Å; I94-K98 WeakPolarHBondContact O-CG 3.32Å; I94-K98 PolarHBondContact O-N 2.84Å; S95-K98 WeakPolarHBondContact O-CB 3.48Å; S95-K98 PolarHBondContact O-N 3.25Å; K98-L101 PolarHBondContact O-N 3.21Å; K98-G102 PolarHBondContact O-N 2.83Å; K98-W213 HydrophobicContact CD-CD2 4.1Å; K98-W213 HydrophobicContact CD-CE3 4.46Å; K98-W213 HydrophobicContact CD-CG 4.13Å; K98-W213 VanDerWaalsContact CE-CE3 3.49Å; K98-W213 HydrophobicContact CG-CD2 3.61Å; K98-W213 VanDerWaalsContact CG-CE2 3.5Å; K98-W213 HydrophobicContact CG-CE3 4.13Å; K98-W213 HydrophobicContact CG-CG 3.93Å; K98-W213 HydrophobicContact CG-CH2 4.43Å; K98-W213 HydrophobicContact CG-CZ2 3.96Å
99N93Very high93.5Very high109 Ų10947.2 Ų47.258%0.58327%0.269SS*.Hα-helixtrans-65.5-42.7179-69-32.3000112S95 G96 I97 G102 Y103S95-N99 VanDerWaalsContact O-CG 3.32Å; S95-N99 PolarHBondContact O-N 3.42Å; S95-N99 PolarHBondContact O-ND2 2.83Å; S95-N99 VanDerWaalsContact O-ND2 3.14Å; G96-N99 PolarHBondContact O-N 3.23Å; I97-N99 VanDerWaalsContact C-N 3.34Å; I97-N99 PolarHBondContact O-N 3.18Å; N99-G102 PolarHBondContact O-N 2.05Å; N99-Y103 WeakPolarHBondContact O-CB 3.23Å; N99-Y103 PolarHBondContact O-N 2.81Å
100L93.9Very high93.2Very high14 Ų1452.6 Ų52.67%0.07330%0.302CS..Hα-helixtrans-60.4-45.3176.8175.560.3000111.6A57 I58 L63 I89 G96 I97 Y103 L104A57-L100 HydrophobicContact CB-CD1 4.3Å; A57-L100 WeakPolarHBondContact O-CD1 3.12Å; I58-L100 HydrophobicContact CB-CD2 4.41Å; I58-L100 HydrophobicContact CG1-CD2 3.95Å; L63-L100 HydrophobicContact CD2-CD2 4.38Å; I89-L100 HydrophobicContact CD1-CD2 4.38Å; G96-L100 WeakPolarHBondContact O-CB 3.38Å; G96-L100 PolarHBondContact O-N 3.28Å; I97-L100 HydrophobicContact CD1-CD2 3.96Å; I97-L100 PolarHBondContact O-N 2.75Å; L100-Y103 WeakPolarHBondContact O-CB 3.48Å; L100-Y103 PolarHBondContact O-N 2.92Å; L100-L104 HydrophobicContact CD1-CD1 4.02Å; L100-L104 HydrophobicContact CD1-CG 4.09Å; L100-L104 HydrophobicContact CG-CD1 4.07Å; L100-L104 WeakPolarHBondContact O-CB 3.41Å; L100-L104 WeakPolarHBondContact O-CG 3.38Å; L100-L104 PolarHBondContact O-N 3.41Å
101L92.6Very high93.1Very high7 Ų753 Ų534%0.03730%0.299CS..Hα-helixtrans-64.2-42.9176.4-74.8168.6000112.5V29 I31 I97 K98 Y103 L104 K105 L114 W213V29-L101 HydrophobicContact CG1-CD1 4.21Å; I31-L101 HydrophobicContact CD1-CD2 3.57Å; I31-L101 HydrophobicContact CD1-CG 4.4Å; I31-L101 HydrophobicContact CG1-CD2 3.72Å; I97-L101 HydrophobicContact CG1-CD1 4.35Å; I97-L101 WeakPolarHBondContact O-CB 3.24Å; I97-L101 WeakPolarHBondContact O-CG 3.21Å; I97-L101 PolarHBondContact O-N 2.5Å; K98-L101 PolarHBondContact O-N 3.21Å; L101-Y103 VanDerWaalsContact C-N 3.3Å; L101-Y103 PolarHBondContact O-N 2.83Å; L101-L104 PolarHBondContact O-N 3Å; L101-K105 WeakPolarHBondContact O-CB 3.33Å; L101-K105 WeakPolarHBondContact O-CG 3.27Å; L101-K105 PolarHBondContact O-N 3.36Å; L101-L114 HydrophobicContact CD1-CD1 3.77Å; L101-L114 HydrophobicContact CD2-CD1 3.66Å; L101-L114 HydrophobicContact CG-CD1 4.38Å; L101-W213 HydrophobicContact CD1-CZ2 3.55Å
102G92.2Very high93Very high43 Ų4353.2 Ų53.244%0.44330%0.301SS..Hα-helixtrans-58.6-44.7174.200000111.5K98 N99 S106K98-G102 PolarHBondContact O-N 2.83Å; N99-G102 PolarHBondContact O-N 2.05Å; G102-S106 WeakPolarHBondContact O-CB 3.16Å; G102-S106 PolarHBondContact O-N 3.34Å
103Y94.1Very high92.9Very high109 Ų10954.4 Ų54.443%0.42730%0.295SS..Hα-helixtrans-61.5-52.3175.8178.8-95.7000112.1Y53 A57 N99 L100 L101 K105 S106 K107Y53-Y103 HydrophobicContact CE1-CE1 4.48Å; Y53-Y103 PolarHBondContact OH-OH 3.37Å; A57-Y103 HydrophobicContact CB-CD1 4.24Å; A57-Y103 HydrophobicContact CB-CE1 3.96Å; N99-Y103 WeakPolarHBondContact O-CB 3.23Å; N99-Y103 PolarHBondContact O-N 2.81Å; L100-Y103 WeakPolarHBondContact O-CB 3.48Å; L100-Y103 PolarHBondContact O-N 2.92Å; L101-Y103 VanDerWaalsContact C-N 3.3Å; L101-Y103 PolarHBondContact O-N 2.83Å; Y103-K105 PolarHBondContact O-N 3.48Å; Y103-S106 WeakPolarHBondContact O-CB 3.39Å; Y103-S106 PolarHBondContact O-N 3.36Å; Y103-S106 VanDerWaalsContact O-N 3.09Å; Y103-S106 PolarHBondContact O-OG 3.05Å; Y103-K107 HydrophobicContact CD1-CG 4.47Å; Y103-K107 HydrophobicContact CE1-CG 4.06Å; Y103-K107 HydrophobicContact CE2-CG 4.15Å; Y103-K107 WeakPolarHBondContact O-CG 3.42Å; Y103-K107 PolarHBondContact O-N 2.68Å
104L94.3Very high92.8Very high0 Ų054.3 Ų54.30%030%0.295CS..Hα-helixtrans-60.1-44.9-179.9-75.5174.6000111.9I31 A54 A57 L100 L101 S106 K107 L108 I112I31-L104 HydrophobicContact CD1-CD1 3.93Å; I31-L104 HydrophobicContact CG2-CD1 4.34Å; A54-L104 HydrophobicContact CB-CD2 4.1Å; A57-L104 HydrophobicContact CB-CD2 3.73Å; L100-L104 HydrophobicContact CD1-CD1 4.02Å; L100-L104 HydrophobicContact CD1-CG 4.09Å; L100-L104 HydrophobicContact CG-CD1 4.07Å; L100-L104 WeakPolarHBondContact O-CB 3.41Å; L100-L104 WeakPolarHBondContact O-CG 3.38Å; L100-L104 PolarHBondContact O-N 3.41Å; L101-L104 PolarHBondContact O-N 3Å; L104-S106 VanDerWaalsContact C-N 3.28Å; L104-S106 PolarHBondContact O-N 3.14Å; L104-K107 PolarHBondContact O-N 2.88Å; L104-L108 PolarHBondContact O-N 3.29Å; L104-I112 HydrophobicContact CB-CD1 4.28Å; L104-I112 HydrophobicContact CB-CG1 4.22Å; L104-I112 HydrophobicContact CB-CG2 4.43Å
105K92.2Very high92.6Very high78 Ų7853.8 Ų53.834%0.33930%0.295SS..Hα-helixtrans-62.2-34.8175.3-75.5-174.3175.1-170.40112.4L101 Y103 P109 I112L101-K105 WeakPolarHBondContact O-CB 3.33Å; L101-K105 WeakPolarHBondContact O-CG 3.27Å; L101-K105 PolarHBondContact O-N 3.36Å; Y103-K105 PolarHBondContact O-N 3.48Å; K105-P109 WeakPolarHBondContact O-CA 3.37Å; K105-P109 VanDerWaalsContact O-CB 3.32Å; K105-P109 WeakPolarHBondContact O-CB 3.22Å; K105-I112 HydrophobicContact CG-CG2 3.94Å
106S92.9Very high92.6Very high82 Ų8252.2 Ų52.257%0.57328%0.283SS*.Hα-helixtrans-69.2-32.917679.40000113.3G102 Y103 L104G102-S106 WeakPolarHBondContact O-CB 3.16Å; G102-S106 PolarHBondContact O-N 3.34Å; Y103-S106 WeakPolarHBondContact O-CB 3.39Å; Y103-S106 PolarHBondContact O-N 3.36Å; Y103-S106 VanDerWaalsContact O-N 3.09Å; Y103-S106 PolarHBondContact O-OG 3.05Å; L104-S106 VanDerWaalsContact C-N 3.28Å; L104-S106 PolarHBondContact O-N 3.14Å
107K94.5Very high92.5Very high114 Ų11452.6 Ų52.650%0.49628%0.282SS..Hα-helixtrans-92.3-31-175.8-65.2-63.3-177.6-174.20113.5Y53 Y103 L104 P109Y53-K107 HydrophobicContact CE1-CB 3.8Å; Y53-K107 HydrophobicContact CE1-CG 4.34Å; Y53-K107 WeakPolarHBondContact OH-CG 3.4Å; Y103-K107 HydrophobicContact CD1-CG 4.47Å; Y103-K107 HydrophobicContact CE1-CG 4.06Å; Y103-K107 HydrophobicContact CE2-CG 4.15Å; Y103-K107 WeakPolarHBondContact O-CG 3.42Å; Y103-K107 PolarHBondContact O-N 2.68Å; L104-K107 PolarHBondContact O-N 2.88Å; K107-P109 VanDerWaalsContact C-CD 3.46Å
108L93.2Very high92.3Very high21 Ų2154.7 Ų54.711%0.1129%0.292CS..SBendtrans-132.454.8-176.4-64.5179.5000111.4R50 Y53 L104 T110 Y111 I112R50-L108 HydrophobicContact CB-CD1 4.16Å; R50-L108 HydrophobicContact CG-CD1 4.3Å; R50-L108 HydrophobicContact CG-CD2 3.85Å; Y53-L108 HydrophobicContact CD1-CD1 3.59Å; Y53-L108 HydrophobicContact CD1-CG 4Å; Y53-L108 HydrophobicContact CE1-CD1 4.32Å; Y53-L108 HydrophobicContact CE1-CG 4.32Å; Y53-L108 HydrophobicContact CG-CD1 4.36Å; L104-L108 PolarHBondContact O-N 3.29Å; L108-T110 VanDerWaalsContact C-N 3.27Å; L108-T110 PolarHBondContact O-N 3.38Å; L108-Y111 HydrophobicContact CB-CD2 4.48Å; L108-Y111 HydrophobicContact CD2-CD2 4.26Å; L108-Y111 PolarHBondContact O-N 3.08Å; L108-Y111 VanDerWaalsContact O-N 3.1Å; L108-I112 HydrophobicContact CB-CD1 4.49Å; L108-I112 HydrophobicContact CB-CG1 3.6Å; L108-I112 HydrophobicContact CD1-CD1 4.35Å; L108-I112 HydrophobicContact CD1-CG1 4.32Å; L108-I112 WeakPolarHBondContact O-CG1 3.37Å; L108-I112 PolarHBondContact O-N 3.02Å
109P90Very high92.3Very high93 Ų9352.6 Ų52.660%0.60429%0.285SS*.THydrogen-bonded Turntrans-61.2-31.5-169.423.5-34.6000114.1K105 K107K105-P109 WeakPolarHBondContact O-CA 3.37Å; K105-P109 VanDerWaalsContact O-CB 3.32Å; K105-P109 WeakPolarHBondContact O-CB 3.22Å; K107-P109 VanDerWaalsContact C-CD 3.46Å
110T90.8Very high92.3Very high114 Ų11450.5 Ų50.570%0.69927%0.271SS*.THydrogen-bonded Turntrans-86.9-15.8-178.7510000113.8L108L108-T110 VanDerWaalsContact C-N 3.27Å; L108-T110 PolarHBondContact O-N 3.38Å
111Y93.2Very high92.2Very high50 Ų5050.7 Ų50.720%0.19627%0.271CS..THydrogen-bonded Turntrans-106.7-28.1-173.5-59.3-86.5000112.4V33 C34 R50 L108V33-Y111 CarbonylContact C-O 3.54Å; V33-Y111 WeakPolarHBondContact CA-O 3.34Å; C34-Y111 PolarHBondContact N-O 2.9Å; C34-Y111 VanDerWaalsContact O-CD1 3.32Å; C34-Y111 WeakPolarHBondContact O-CD1 3.08Å; R50-Y111 HydrophobicContact CB-CG 4.49Å; R50-Y111 HydrophobicContact CG-CD1 3.97Å; R50-Y111 HydrophobicContact CG-CD2 3.98Å; R50-Y111 HydrophobicContact CG-CE1 4.27Å; R50-Y111 HydrophobicContact CG-CE2 4.26Å; R50-Y111 HydrophobicContact CG-CG 3.83Å; L108-Y111 HydrophobicContact CB-CD2 4.48Å; L108-Y111 HydrophobicContact CD2-CD2 4.26Å; L108-Y111 PolarHBondContact O-N 3.08Å; L108-Y111 VanDerWaalsContact O-N 3.1Å
112I93.6Very high92.1Very high8 Ų851.5 Ų51.54%0.04128%0.277CS..EExtended strand (participates in β ladder)trans-91121.6-175-63-73.4000110.6I31 L32 V33 L104 K105 L108I31-I112 HydrophobicContact CG2-CD1 4.05Å; I31-I112 HydrophobicContact CG2-CG2 4.11Å; L32-I112 CarbonylContact O-C 3.54Å; L32-I112 WeakPolarHBondContact O-CA 3.22Å; V33-I112 HydrophobicContact CG2-CD1 3.7Å; L104-I112 HydrophobicContact CB-CD1 4.28Å; L104-I112 HydrophobicContact CB-CG1 4.22Å; L104-I112 HydrophobicContact CB-CG2 4.43Å; K105-I112 HydrophobicContact CG-CG2 3.94Å; L108-I112 HydrophobicContact CB-CD1 4.49Å; L108-I112 HydrophobicContact CB-CG1 3.6Å; L108-I112 HydrophobicContact CD1-CD1 4.35Å; L108-I112 HydrophobicContact CD1-CG1 4.32Å; L108-I112 WeakPolarHBondContact O-CG1 3.37Å; L108-I112 PolarHBondContact O-N 3.02Å
113R91.4Very high92Very high91 Ų9157.4 Ų57.434%0.34329%0.291SS..EExtended strand (participates in β ladder)trans-119.7152.1166.8-59.4-178-177.6-134.515.4110L32 E208L32-R113 HydrophobicContact CB-CB 4.19Å; L32-R113 PolarHBondContact N-O 2.91Å; L32-R113 PolarHBondContact O-N 3.4Å; R113-E208 IonicContact NH1-OE1 3.29Å; R113-E208 PolarHBondContact NH1-OE1 2.79Å
114L91.2Very high91.9Very high35 Ų3559.2 Ų59.218%0.18330%0.301CS..EExtended strand (participates in β ladder)trans-95.6124.4173.2-168.271.2000108V29 L101 V117 F211V29-L114 HydrophobicContact CG1-CD1 3.61Å; L101-L114 HydrophobicContact CD1-CD1 3.77Å; L101-L114 HydrophobicContact CD2-CD1 3.66Å; L101-L114 HydrophobicContact CG-CD1 4.38Å; L114-V117 HydrophobicContact CD1-CG2 4.09Å; L114-V117 HydrophobicContact CD2-CG2 3.78Å; L114-V117 HydrophobicContact CG-CG2 3.97Å; L114-F211 HydrophobicContact CD2-CB 3.32Å; L114-F211 HydrophobicContact CD2-CD1 3.77Å; L114-F211 HydrophobicContact CD2-CD2 3.81Å; L114-F211 HydrophobicContact CD2-CG 3.34Å
115G90Very high91.8Very high13 Ų1362.9 Ų62.913%0.13431%0.314CS..EExtended strand (participates in β ladder)trans-84.9-137.3170.700000110.8E30E30-G115 PolarHBondContact O-N 2.89Å
116T90.6Very high91.7Very high41 Ų4160.5 Ų60.525%0.25231%0.305SS..EExtended strand (participates in β ladder)trans-67.9149176.559.80000112.6E30 Y187E30-T116 WeakPolarHBondContact CG-OG1 3.38Å; E30-T116 PolarHBondContact N-O 2.88Å; E30-T116 WeakPolarHBondContact OE2-CB 3.49Å; E30-T116 PolarHBondContact OE2-N 3.37Å; E30-T116 VanDerWaalsContact OE2-N 3.08Å; E30-T116 PolarHBondContact OE2-OG1 3.49Å; T116-Y187 VanDerWaalsContact CG2-OH 3.27Å; T116-Y187 WeakPolarHBondContact CG2-OH 3.37Å
117V91.8Very high91.6Very high20 Ų2063.4 Ų63.412%0.12131%0.307CS..EExtended strand (participates in β ladder)trans-133.9118.3169.6177.50000108.4K28 V29 L114 F211 W213K28-V117 WeakPolarHBondContact O-CA 3.36Å; V29-V117 HydrophobicContact CG1-CG2 4.23Å; V29-V117 HydrophobicContact CG2-CG1 4.12Å; V29-V117 HydrophobicContact CG2-CG2 4.24Å; L114-V117 HydrophobicContact CD1-CG2 4.09Å; L114-V117 HydrophobicContact CD2-CG2 3.78Å; L114-V117 HydrophobicContact CG-CG2 3.97Å; V117-F211 HydrophobicContact CB-CE1 3.92Å; V117-F211 HydrophobicContact CB-CE2 3.72Å; V117-F211 HydrophobicContact CB-CZ 3.27Å; V117-F211 HydrophobicContact CG1-CE1 3.76Å; V117-F211 HydrophobicContact CG1-CE2 4.37Å; V117-F211 HydrophobicContact CG1-CZ 3.44Å; V117-F211 VanDerWaalsContact CG1-CZ 3.44Å; V117-F211 HydrophobicContact CG2-CD1 4.35Å; V117-F211 HydrophobicContact CG2-CD2 4.34Å; V117-F211 HydrophobicContact CG2-CE1 3.85Å; V117-F211 HydrophobicContact CG2-CE2 3.83Å; V117-F211 HydrophobicContact CG2-CZ 3.57Å; V117-W213 HydrophobicContact CG1-CH2 4.06Å; V117-W213 HydrophobicContact CG1-CZ3 3.99Å
118E91.2Very high91.5Very high44 Ų4461.6 Ų61.621%0.20630%0.301CS..EExtended strand (participates in β ladder)trans-119.2126.9179.5-66.4-178.5148.600108.7C27 K28 I176 T178C27-E118 CarbonylContact C-O 3.53Å; C27-E118 WeakPolarHBondContact CA-O 3.31Å; C27-E118 WeakPolarHBondContact CB-O 3.23Å; K28-E118 HydrophobicContact CB-CB 4.37Å; K28-E118 PolarHBondContact N-O 3.16Å; K28-E118 PolarHBondContact O-N 2.88Å; E118-I176 WeakPolarHBondContact OE2-CG2 3.49Å; E118-T178 WeakPolarHBondContact OE1-CG2 3.49Å
119C92.3Very high91.5Very high19 Ų1960.7 Ų60.713%0.12830%0.296CS..EExtended strand (participates in β ladder)trans-106.9139.1176.4-59.70000109P24 C26 L217 A220P24-C119 HydrophobicContact CB-CB 4.06Å; P24-C119 HydrophobicContact CG-CB 3.57Å; C26-C119 CarbonylContact O-C 3.56Å; C26-C119 WeakPolarHBondContact O-CA 3.47Å; C119-L217 HydrophobicContact CB-CD2 4.28Å; C119-A220 HydrophobicContact CB-CB 3.74Å; C119-A220 WeakPolarHBondContact O-CB 3.41Å
120F91.6Very high91.6Very high65 Ų6560.4 Ų60.429%0.28528%0.283SS..EExtended strand (participates in β ladder)trans-153.1171.3-175.263.4-90.4000110.8P24 D25 C26 K28 T90P24-F120 VanDerWaalsContact CB-O 3.27Å; P24-F120 WeakPolarHBondContact CB-O 2.97Å; D25-F120 PolarHBondContact N-O 2.83Å; C26-F120 CarbonylContact C-O 3.57Å; C26-F120 WeakPolarHBondContact CA-O 3.09Å; C26-F120 HydrophobicContact CB-CD1 4.48Å; C26-F120 HydrophobicContact CB-CD2 3.84Å; C26-F120 HydrophobicContact CB-CE1 4.11Å; C26-F120 HydrophobicContact CB-CE2 3.39Å; C26-F120 HydrophobicContact CB-CG 4.35Å; C26-F120 HydrophobicContact CB-CZ 3.54Å; C26-F120 PolarHBondContact N-O 2.82Å; C26-F120 PolarHBondContact O-N 2.9Å; K28-F120 HydrophobicContact CB-CE1 4.17Å; T90-F120 HydrophobicContact CG2-CE1 4.24Å; T90-F120 HydrophobicContact CG2-CZ 3.73Å
121Y92Very high91.7Very high17 Ų1760.3 Ų60.37%0.06727%0.273CS..  trans-97.2137.4-179.7-62.5-100.5000111S22 E23 P24 D25 R125 M126 L129 A220 Q221 R222S22-Y121 PolarHBondContact O-OH 3.24Å; E23-Y121 WeakPolarHBondContact O-CE1 3.38Å; P24-Y121 HydrophobicContact CB-CD2 4.31Å; P24-Y121 HydrophobicContact CB-CE2 4.03Å; D25-Y121 WeakPolarHBondContact OD1-CA 3.38Å; Y121-R125 HydrophobicContact CD1-CG 3.84Å; Y121-M126 VanDerWaalsContact CB-CG 3.45Å; Y121-M126 WeakPolarHBondContact CB-SD 3.22Å; Y121-M126 HydrophobicContact CD1-SD 4.03Å; Y121-M126 HydrophobicContact CD2-SD 3.96Å; Y121-M126 HydrophobicContact CG-CG 4.24Å; Y121-M126 HydrophobicContact CG-SD 3.52Å; Y121-M126 VanDerWaalsContact CG-SD 3.52Å; Y121-L129 HydrophobicContact CD1-CD1 3.81Å; Y121-L129 HydrophobicContact CE1-CD1 3.73Å; Y121-A220 WeakPolarHBondContact CE2-O 3.34Å; Y121-A220 PolarHBondContact OH-O 2.83Å; Y121-Q221 WeakPolarHBondContact OH-CA 3.15Å; Y121-R222 HydrophobicContact CD2-CG 4.22Å; Y121-R222 HydrophobicContact CE2-CB 3.9Å; Y121-R222 HydrophobicContact CE2-CG 3.41Å; Y121-R222 VanDerWaalsContact CE2-CG 3.41Å; Y121-R222 PolarHBondContact OH-N 3.26Å
122S92.1Very high91.8Very high24 Ų2461.5 Ų61.517%0.16828%0.28CS..  trans-62151.7164.170.40000110.1D25 C26 K124 R125 M126D25-S122 PolarHBondContact OD1-N 2.94Å; D25-S122 VanDerWaalsContact OD2-CB 3.24Å; D25-S122 WeakPolarHBondContact OD2-CB 2.9Å; D25-S122 PolarHBondContact OD2-OG 2.87Å; C26-S122 VanDerWaalsContact SG-CB 3.55Å; S122-K124 PolarHBondContact O-N 2.88Å; S122-R125 PolarHBondContact O-N 2.78Å; S122-R125 VanDerWaalsContact O-N 3.08Å; S122-R125 WeakPolarHBondContact OG-CB 3.45Å; S122-R125 PolarHBondContact OG-N 2.81Å; S122-M126 PolarHBondContact O-N 2.99Å
123K90Very high91.8Very high168 Ų16861.1 Ų61.173%0.7328%0.278SS*.Hα-helixtrans-53.4-37.7171.7-66.1-174.6177.2-174.80111.9F127K123-F127 WeakPolarHBondContact O-CB 3.19Å; K123-F127 PolarHBondContact O-N 2.76Å
124K91.6Very high91.9Very high146 Ų14658.9 Ų58.964%0.63528%0.275SS*.Hα-helixtrans-62.6-49.7176.8-178.8-178.6169.3-1770111.1S122 F127 E128S122-K124 PolarHBondContact O-N 2.88Å; K124-F127 PolarHBondContact O-N 2.87Å; K124-E128 WeakPolarHBondContact CE-OE1 3.46Å; K124-E128 IonicContact NZ-OE1 2.68Å; K124-E128 WeakPolarHBondContact O-CG 3.23Å; K124-E128 PolarHBondContact O-N 2.75Å
125R91.4Very high92.1Very high77 Ų7762.6 Ų62.629%0.29129%0.291SS..Hα-helixtrans-65-41.6-179.7-175.561.7176.3168.12.4111.9S22 D25 Y121 S122 F127 E128 L129S22-R125 PolarHBondContact OG-NE 3.3Å; S22-R125 PolarHBondContact OG-NH2 3.18Å; D25-R125 HydrophobicContact CB-CG 4.38Å; D25-R125 WeakPolarHBondContact OD1-CB 3.49Å; D25-R125 WeakPolarHBondContact OD2-CB 3.27Å; Y121-R125 HydrophobicContact CD1-CG 3.84Å; S122-R125 PolarHBondContact O-N 2.78Å; S122-R125 VanDerWaalsContact O-N 3.08Å; S122-R125 WeakPolarHBondContact OG-CB 3.45Å; S122-R125 PolarHBondContact OG-N 2.81Å; R125-F127 VanDerWaalsContact C-N 3.32Å; R125-F127 PolarHBondContact O-N 3.03Å; R125-E128 IonicContact NH1-OE2 2.99Å; R125-E128 PolarHBondContact O-N 2.95Å; R125-L129 HydrophobicContact CG-CD1 4Å; R125-L129 HydrophobicContact CG-CG 4.36Å; R125-L129 VanDerWaalsContact O-CG 3.26Å; R125-L129 WeakPolarHBondContact O-CG 3.2Å; R125-L129 PolarHBondContact O-N 3.4Å
126M90Very high92.4Very high28 Ų2865.4 Ų65.414%0.13830%0.301CS..Hα-helixtrans-58.5-44.8174.5-73.6-56.1-6700112.1Y121 S122 L129 R130 F169 I224Y121-M126 VanDerWaalsContact CB-CG 3.45Å; Y121-M126 WeakPolarHBondContact CB-SD 3.22Å; Y121-M126 HydrophobicContact CD1-SD 4.03Å; Y121-M126 HydrophobicContact CD2-SD 3.96Å; Y121-M126 HydrophobicContact CG-CG 4.24Å; Y121-M126 HydrophobicContact CG-SD 3.52Å; Y121-M126 VanDerWaalsContact CG-SD 3.52Å; S122-M126 PolarHBondContact O-N 2.99Å; M126-L129 PolarHBondContact O-N 2.82Å; M126-R130 WeakPolarHBondContact O-CB 3.46Å; M126-R130 PolarHBondContact O-N 3.06Å; M126-F169 HydrophobicContact CE-CD2 3.48Å; M126-F169 VanDerWaalsContact CE-CD2 3.48Å; M126-F169 HydrophobicContact CE-CE2 3.25Å; M126-F169 HydrophobicContact CE-CG 4.39Å; M126-F169 HydrophobicContact CE-CZ 4Å; M126-I224 HydrophobicContact CE-CD1 4.02Å
127F91Very high92.6Very high143 Ų14363.5 Ų63.563%0.62729%0.289SS*.Hα-helixtrans-61.9-44.9176.8178-95.1000112.1K123 K124 R125 R130 K131K123-F127 WeakPolarHBondContact O-CB 3.19Å; K123-F127 PolarHBondContact O-N 2.76Å; K124-F127 PolarHBondContact O-N 2.87Å; R125-F127 VanDerWaalsContact C-N 3.32Å; R125-F127 PolarHBondContact O-N 3.03Å; F127-R130 PolarHBondContact O-N 2.88Å; F127-K131 WeakPolarHBondContact O-CB 3.42Å; F127-K131 PolarHBondContact O-N 3.36Å
128E93.6Very high92.8Very high77 Ų7766 Ų6636%0.3630%0.304SS..Hα-helixtrans-60.7-44.8177-73172.2174.800112.3K124 R125 K131 E132K124-E128 WeakPolarHBondContact CE-OE1 3.46Å; K124-E128 IonicContact NZ-OE1 2.68Å; K124-E128 WeakPolarHBondContact O-CG 3.23Å; K124-E128 PolarHBondContact O-N 2.75Å; R125-E128 IonicContact NH1-OE2 2.99Å; R125-E128 PolarHBondContact O-N 2.95Å; E128-K131 WeakPolarHBondContact O-CB 3.26Å; E128-K131 PolarHBondContact O-N 3.45Å; E128-E132 PolarHBondContact O-N 3.1Å
129L92.3Very high93Very high1 Ų167.6 Ų67.61%0.00532%0.32CS..Hα-helixtrans-67.4-40.3179.2-66.6170000112T20 S22 Y121 R125 M126 K131 E132 A133 I224T20-L129 HydrophobicContact CG2-CB 3.88Å; T20-L129 HydrophobicContact CG2-CD2 3.95Å; T20-L129 VanDerWaalsContact CG2-O 3.3Å; T20-L129 WeakPolarHBondContact CG2-O 3.41Å; S22-L129 VanDerWaalsContact CB-CD2 3.42Å; Y121-L129 HydrophobicContact CD1-CD1 3.81Å; Y121-L129 HydrophobicContact CE1-CD1 3.73Å; R125-L129 HydrophobicContact CG-CD1 4Å; R125-L129 HydrophobicContact CG-CG 4.36Å; R125-L129 VanDerWaalsContact O-CG 3.26Å; R125-L129 WeakPolarHBondContact O-CG 3.2Å; R125-L129 PolarHBondContact O-N 3.4Å; M126-L129 PolarHBondContact O-N 2.82Å; L129-K131 VanDerWaalsContact C-N 3.34Å; L129-E132 PolarHBondContact O-N 3.26Å; L129-A133 PolarHBondContact O-N 2.78Å; L129-I224 HydrophobicContact CB-CD1 3.49Å; L129-I224 VanDerWaalsContact CB-CD1 3.49Å; L129-I224 HydrophobicContact CD1-CD1 4.17Å; L129-I224 HydrophobicContact CG-CD1 4.48Å
130R91.8Very high93.2Very high87 Ų8768.9 Ų68.933%0.32833%0.325SS..Hα-helixtrans-60.5-46.5173.1-174.1-175.2173.792.35.4110.4M126 F127 E132 A133 V134 E164 C167 I226M126-R130 WeakPolarHBondContact O-CB 3.46Å; M126-R130 PolarHBondContact O-N 3.06Å; F127-R130 PolarHBondContact O-N 2.88Å; R130-E132 VanDerWaalsContact C-N 3.33Å; R130-E132 PolarHBondContact O-N 3.17Å; R130-A133 PolarHBondContact O-N 2.88Å; R130-V134 WeakPolarHBondContact O-CG2 3.39Å; R130-V134 PolarHBondContact O-N 2.82Å; R130-E164 IonicContact CZ-OE1 3.96Å; R130-E164 IonicContact CZ-OE2 3.87Å; R130-E164 IonicContact NH1-OE1 2.65Å; R130-E164 IonicContact NH2-OE1 2.84Å; R130-E164 PolarHBondContact NH2-OE1 2.92Å; R130-E164 IonicContact NH2-OE2 3.52Å; R130-E164 PolarHBondContact NH2-OE2 3.15Å; R130-C167 PolarHBondContact NH1-SG 2.87Å; R130-I226 HydrophobicContact CG-CD1 3.77Å; R130-I226 WeakPolarHBondContact O-CD1 3.12Å
131K93.6Very high93.4Very high112 Ų11265.9 Ų65.949%0.48731%0.313SS..Hα-helixtrans-57.7-46.7177.7-177.1-175.8171.7-168.30111.3F127 E128 L129 V134 E135F127-K131 WeakPolarHBondContact O-CB 3.42Å; F127-K131 PolarHBondContact O-N 3.36Å; E128-K131 WeakPolarHBondContact O-CB 3.26Å; E128-K131 PolarHBondContact O-N 3.45Å; L129-K131 VanDerWaalsContact C-N 3.34Å; K131-V134 PolarHBondContact O-N 3Å; K131-E135 WeakPolarHBondContact CE-OE1 3.32Å; K131-E135 IonicContact NZ-OE1 3.67Å; K131-E135 WeakPolarHBondContact O-CG 3.43Å; K131-E135 PolarHBondContact O-N 2.94Å
132E94.8Very high93.6Very high76 Ų7671 Ų7136%0.35534%0.335SS..Hα-helixtrans-58.6-47.4176.1-176.9-175.8-169.100111.8T20 E128 L129 R130 V134 E135 Q136T20-E132 PolarHBondContact OG1-OE2 2.86Å; E128-E132 PolarHBondContact O-N 3.1Å; L129-E132 PolarHBondContact O-N 3.26Å; R130-E132 VanDerWaalsContact C-N 3.33Å; R130-E132 PolarHBondContact O-N 3.17Å; E132-V134 VanDerWaalsContact C-N 3.33Å; E132-V134 PolarHBondContact O-N 2.63Å; E132-E135 PolarHBondContact O-N 3.45Å; E132-Q136 WeakPolarHBondContact O-CG 3.48Å; E132-Q136 PolarHBondContact O-N 3.03Å
133A93.6Very high93.7Very high0 Ų074.8 Ų74.80%035%0.35CS..Hα-helixtrans-62.7-37.917700000112.3G18 T20 L129 R130 A137 I224 I226G18-A133 WeakPolarHBondContact CA-O 3.49Å; T20-A133 HydrophobicContact CG2-CB 4.23Å; L129-A133 PolarHBondContact O-N 2.78Å; R130-A133 PolarHBondContact O-N 2.88Å; A133-A137 WeakPolarHBondContact O-CB 3.31Å; A133-A137 PolarHBondContact O-N 3.26Å; A133-I224 HydrophobicContact CB-CG2 4.18Å; A133-I226 HydrophobicContact CB-CB 4.28Å; A133-I226 HydrophobicContact CB-CD1 3.63Å; A133-I226 HydrophobicContact CB-CG1 3.85Å
134V93.6Very high94Very high44 Ų4470 Ų7027%0.26733%0.329SS..Hα-helixtrans-64-47.5174.1172.30000110.6R130 K131 E132 Q136 A137 V138 I226 L228R130-V134 WeakPolarHBondContact O-CG2 3.39Å; R130-V134 PolarHBondContact O-N 2.82Å; K131-V134 PolarHBondContact O-N 3Å; E132-V134 VanDerWaalsContact C-N 3.33Å; E132-V134 PolarHBondContact O-N 2.63Å; V134-Q136 VanDerWaalsContact C-N 3.3Å; V134-Q136 PolarHBondContact O-N 2.85Å; V134-A137 PolarHBondContact O-N 2.92Å; V134-A137 VanDerWaalsContact O-N 3.16Å; V134-V138 HydrophobicContact CG1-CG2 4.23Å; V134-V138 WeakPolarHBondContact O-CG2 3.09Å; V134-V138 PolarHBondContact O-N 3.48Å; V134-I226 HydrophobicContact CB-CD1 4.48Å; V134-I226 HydrophobicContact CG2-CD1 3.46Å; V134-I226 VanDerWaalsContact CG2-CD1 3.46Å; V134-I226 HydrophobicContact CG2-CG2 4.35Å; V134-L228 HydrophobicContact CG1-CD1 4.48Å
135E95.4Very high94.2Very high112 Ų11263.1 Ų63.152%0.52330%0.3SS..Hα-helixtrans-59-42.1179.8-74.2175169.500111.6K131 E132 S139K131-E135 WeakPolarHBondContact CE-OE1 3.32Å; K131-E135 IonicContact NZ-OE1 3.67Å; K131-E135 WeakPolarHBondContact O-CG 3.43Å; K131-E135 PolarHBondContact O-N 2.94Å; E132-E135 PolarHBondContact O-N 3.45Å; E135-S139 WeakPolarHBondContact O-CB 3.49Å; E135-S139 PolarHBondContact O-N 2.96Å
136Q96.4Very high94.3Very high73 Ų7363.3 Ų63.334%0.34130%0.304SS..Hα-helixtrans-63.8-45.8173.8-70.8179.46.200112.3E19 E132 V134 V138 S139 D140E19-Q136 PolarHBondContact O-OE1 3.33Å; E132-Q136 WeakPolarHBondContact O-CG 3.48Å; E132-Q136 PolarHBondContact O-N 3.03Å; V134-Q136 VanDerWaalsContact C-N 3.3Å; V134-Q136 PolarHBondContact O-N 2.85Å; Q136-V138 VanDerWaalsContact C-N 3.33Å; Q136-V138 PolarHBondContact O-N 2.96Å; Q136-S139 PolarHBondContact O-N 2.71Å; Q136-D140 WeakPolarHBondContact O-CB 3.27Å; Q136-D140 PolarHBondContact O-N 3.29Å
137A95.4Very high94.5Very high0 Ų066.6 Ų66.60%032%0.322CS..Hα-helixtrans-61.7-41.2178.900000111.8G16 A133 V134 D140 A141 I226 L228G16-A137 WeakPolarHBondContact CA-O 3.49Å; A133-A137 WeakPolarHBondContact O-CB 3.31Å; A133-A137 PolarHBondContact O-N 3.26Å; V134-A137 PolarHBondContact O-N 2.92Å; V134-A137 VanDerWaalsContact O-N 3.16Å; A137-D140 PolarHBondContact O-N 2.89Å; A137-A141 WeakPolarHBondContact O-CB 3.26Å; A137-A141 PolarHBondContact O-N 3.3Å; A137-I226 HydrophobicContact CB-CG2 4.48Å; A137-L228 HydrophobicContact CB-CB 4.41Å; A137-L228 HydrophobicContact CB-CD1 3.61Å; A137-L228 HydrophobicContact CB-CG 3.76Å
138V95Very high94.6Very high73 Ų7363 Ų6344%0.44231%0.308SS..Hα-helixtrans-64.5-44.4175.3171.70000110.9V134 Q136 A141 K142 L228V134-V138 HydrophobicContact CG1-CG2 4.23Å; V134-V138 WeakPolarHBondContact O-CG2 3.09Å; V134-V138 PolarHBondContact O-N 3.48Å; Q136-V138 VanDerWaalsContact C-N 3.33Å; Q136-V138 PolarHBondContact O-N 2.96Å; V138-A141 PolarHBondContact O-N 3.43Å; V138-K142 VanDerWaalsContact O-CB 3.29Å; V138-K142 WeakPolarHBondContact O-CB 3.4Å; V138-K142 PolarHBondContact O-N 3.01Å; V138-L228 HydrophobicContact CG2-CD1 3.53Å
139S96.3Very high94.5Very high77 Ų7759.4 Ų59.454%0.53829%0.292SS..Hα-helixtrans-62.3-43178-171.90000112E135 Q136 K142 H143E135-S139 WeakPolarHBondContact O-CB 3.49Å; E135-S139 PolarHBondContact O-N 2.96Å; Q136-S139 PolarHBondContact O-N 2.71Å; S139-K142 PolarHBondContact O-N 3.44Å; S139-H143 WeakPolarHBondContact O-CB 3.29Å; S139-H143 PolarHBondContact O-N 3.08Å
140D96.4Very high94.5Very high46 Ų4663.5 Ų63.525%0.24632%0.321CS..Hα-helixtrans-64.3-46.9176.7178.447.8000111.7G16 V17 Q136 A137 K142 H143 K144G16-D140 VanDerWaalsContact CA-OD2 3.25Å; G16-D140 WeakPolarHBondContact CA-OD2 3.29Å; V17-D140 PolarHBondContact N-OD2 2.99Å; Q136-D140 WeakPolarHBondContact O-CB 3.27Å; Q136-D140 PolarHBondContact O-N 3.29Å; A137-D140 PolarHBondContact O-N 2.89Å; D140-K142 PolarHBondContact O-N 3.14Å; D140-H143 PolarHBondContact O-N 3.5Å; D140-K144 WeakPolarHBondContact O-CG 3.43Å; D140-K144 PolarHBondContact O-N 2.84Å; D140-K144 WeakPolarHBondContact OD1-CE 3.48Å; D140-K144 IonicContact OD1-NZ 3.05Å; D140-K144 PolarHBondContact OD1-NZ 3.32Å; D140-K144 WeakPolarHBondContact OD2-CE 3.34Å; D140-K144 IonicContact OD2-NZ 3.32Å; D140-K144 PolarHBondContact OD2-NZ 2.92Å
141A95.5Very high94.5Very high2 Ų263.3 Ų63.32%0.01734%0.337CS..Hα-helixtrans-59-47.3174.700000111.8V14 A137 V138 H143 K144 A145 V230V14-A141 HydrophobicContact CG2-CB 4.08Å; V14-A141 WeakPolarHBondContact CG2-O 3.38Å; A137-A141 WeakPolarHBondContact O-CB 3.26Å; A137-A141 PolarHBondContact O-N 3.3Å; V138-A141 PolarHBondContact O-N 3.43Å; A141-H143 PolarHBondContact O-N 3.36Å; A141-K144 PolarHBondContact O-N 3.16Å; A141-A145 WeakPolarHBondContact O-CB 3.48Å; A141-A145 PolarHBondContact O-N 2.95Å; A141-V230 HydrophobicContact CB-CB 4.01Å; A141-V230 HydrophobicContact CB-CG2 3.52Å
142K94.9Very high94.3Very high124 Ų12465.5 Ų65.554%0.53935%0.347SS..Hα-helixtrans-58.6-48.9178.7179.3179.7172.9-177.70111.1V138 S139 D140 K144 A145 E146V138-K142 VanDerWaalsContact O-CB 3.29Å; V138-K142 WeakPolarHBondContact O-CB 3.4Å; V138-K142 PolarHBondContact O-N 3.01Å; S139-K142 PolarHBondContact O-N 3.44Å; D140-K142 PolarHBondContact O-N 3.14Å; K142-K144 VanDerWaalsContact C-N 3.34Å; K142-K144 PolarHBondContact O-N 2.77Å; K142-A145 PolarHBondContact O-N 2.9Å; K142-E146 WeakPolarHBondContact CE-OE1 3.47Å; K142-E146 HydrophobicContact CG-CG 4.46Å; K142-E146 IonicContact NZ-OE1 3.72Å; K142-E146 WeakPolarHBondContact O-CG 3.47Å; K142-E146 PolarHBondContact O-N 2.89Å
143H95.9Very high94.1Very high105 Ų10564.9 Ų64.949%0.48636%0.361SS..Hα-helixtrans-59.3-45178.8-176.759.2000111.8S139 D140 A141 A145 E146 L147S139-H143 WeakPolarHBondContact O-CB 3.29Å; S139-H143 PolarHBondContact O-N 3.08Å; D140-H143 PolarHBondContact O-N 3.5Å; A141-H143 PolarHBondContact O-N 3.36Å; H143-A145 PolarHBondContact O-N 3.35Å; H143-E146 PolarHBondContact O-N 3.26Å; H143-L147 WeakPolarHBondContact NE2-CD1 3.46Å; H143-L147 WeakPolarHBondContact O-CB 3.47Å; H143-L147 VanDerWaalsContact O-CG 3.29Å; H143-L147 WeakPolarHBondContact O-CG 3.36Å; H143-L147 PolarHBondContact O-N 3.48Å
144K96Very high93.8Very high67 Ų6766.9 Ų66.929%0.29137%0.37SS..Hα-helixtrans-60.8-44.5175.3-74166.9175.3166.60112.5V14 S15 D140 A141 K142 L147 I148V14-K144 HydrophobicContact CB-CB 4.19Å; V14-K144 HydrophobicContact CG1-CB 4.14Å; S15-K144 WeakPolarHBondContact O-CD 3.4Å; S15-K144 PolarHBondContact O-NZ 2.87Å; D140-K144 WeakPolarHBondContact O-CG 3.43Å; D140-K144 PolarHBondContact O-N 2.84Å; D140-K144 WeakPolarHBondContact OD1-CE 3.48Å; D140-K144 IonicContact OD1-NZ 3.05Å; D140-K144 PolarHBondContact OD1-NZ 3.32Å; D140-K144 WeakPolarHBondContact OD2-CE 3.34Å; D140-K144 IonicContact OD2-NZ 3.32Å; D140-K144 PolarHBondContact OD2-NZ 2.92Å; A141-K144 PolarHBondContact O-N 3.16Å; K142-K144 VanDerWaalsContact C-N 3.34Å; K142-K144 PolarHBondContact O-N 2.77Å; K144-L147 PolarHBondContact O-N 2.89Å; K144-I148 WeakPolarHBondContact O-CD1 3.09Å; K144-I148 VanDerWaalsContact O-CG1 3.26Å; K144-I148 WeakPolarHBondContact O-CG1 3.42Å; K144-I148 PolarHBondContact O-N 3.36Å
145A94.4Very high93.7Very high2 Ų274.1 Ų74.12%0.01739%0.393CS..Hα-helixtrans-63.1-44.9178.600000111.5V12 V14 A141 K142 H143 I148 A149 I156V12-A145 HydrophobicContact CG1-CB 4.22Å; V14-A145 HydrophobicContact CG1-CB 4.18Å; V14-A145 HydrophobicContact CG2-CB 4.04Å; A141-A145 WeakPolarHBondContact O-CB 3.48Å; A141-A145 PolarHBondContact O-N 2.95Å; K142-A145 PolarHBondContact O-N 2.9Å; H143-A145 PolarHBondContact O-N 3.35Å; A145-I148 PolarHBondContact O-N 2.77Å; A145-A149 VanDerWaalsContact O-CB 3.31Å; A145-A149 WeakPolarHBondContact O-CB 3.5Å; A145-A149 PolarHBondContact O-N 3.32Å; A145-I156 HydrophobicContact CB-CD1 3.84Å; A145-I156 HydrophobicContact CB-CG1 4.31Å
146E94.5Very high93.6Very high80 Ų8071.3 Ų71.337%0.37438%0.381SS..Hα-helixtrans-63.7-42.3177.5-73.2174.1167.600112.2K142 H143 S150 I156K142-E146 WeakPolarHBondContact CE-OE1 3.47Å; K142-E146 HydrophobicContact CG-CG 4.46Å; K142-E146 IonicContact NZ-OE1 3.72Å; K142-E146 WeakPolarHBondContact O-CG 3.47Å; K142-E146 PolarHBondContact O-N 2.89Å; H143-E146 PolarHBondContact O-N 3.26Å; E146-S150 VanDerWaalsContact O-CB 3.23Å; E146-S150 WeakPolarHBondContact O-CB 3.32Å; E146-S150 PolarHBondContact O-N 2.84Å; E146-S150 PolarHBondContact O-OG 3.31Å; E146-I156 HydrophobicContact CG-CG1 4.26Å
147L94.9Very high93.3Very high97 Ų9774.9 Ų74.951%0.50840%0.398SS..Hα-helixtrans-60.4-47.5175-77.7174.8000111.7H143 K144 A151H143-L147 WeakPolarHBondContact NE2-CD1 3.46Å; H143-L147 WeakPolarHBondContact O-CB 3.47Å; H143-L147 VanDerWaalsContact O-CG 3.29Å; H143-L147 WeakPolarHBondContact O-CG 3.36Å; H143-L147 PolarHBondContact O-N 3.48Å; K144-L147 PolarHBondContact O-N 2.89Å; L147-A151 WeakPolarHBondContact O-CB 3.33Å; L147-A151 PolarHBondContact O-N 3.03Å
148I93.1Very high93.1Very high68 Ų6876.3 Ų76.335%0.34941%0.413SS..Hα-helixtrans-64.1-50.6178.5-67.3165.1000110V12 V14 K144 A145 S150 A151 F152V12-I148 HydrophobicContact CG2-CB 4.05Å; V12-I148 HydrophobicContact CG2-CD1 4.13Å; V12-I148 HydrophobicContact CG2-CG2 3.63Å; V14-I148 HydrophobicContact CG1-CD1 3.61Å; K144-I148 WeakPolarHBondContact O-CD1 3.09Å; K144-I148 VanDerWaalsContact O-CG1 3.26Å; K144-I148 WeakPolarHBondContact O-CG1 3.42Å; K144-I148 PolarHBondContact O-N 3.36Å; A145-I148 PolarHBondContact O-N 2.77Å; I148-S150 VanDerWaalsContact C-N 3.3Å; I148-S150 PolarHBondContact O-N 3.47Å; I148-A151 WeakPolarHBondContact O-CB 3.19Å; I148-A151 PolarHBondContact O-N 3.01Å; I148-A151 VanDerWaalsContact O-N 3.16Å; I148-F152 HydrophobicContact CG2-CD2 4.17Å; I148-F152 HydrophobicContact CG2-CE2 4.1Å; I148-F152 VanDerWaalsContact O-CD2 3.22Å; I148-F152 WeakPolarHBondContact O-CD2 3.49Å; I148-F152 PolarHBondContact O-N 3.31Å
149A91.5Very high92.9Very high2 Ų278.3 Ų78.32%0.01742%0.42CS..Hα-helixtrans-56.6-46179.700000111.7A145 A151 F152 G153 Q154 I156 L234A145-A149 VanDerWaalsContact O-CB 3.31Å; A145-A149 WeakPolarHBondContact O-CB 3.5Å; A145-A149 PolarHBondContact O-N 3.32Å; A149-A151 VanDerWaalsContact C-N 3.33Å; A149-A151 PolarHBondContact O-N 3.45Å; A149-F152 CarbonylContact O-C 3.55Å; A149-F152 PolarHBondContact O-N 2.66Å; A149-F152 VanDerWaalsContact O-N 3.15Å; A149-G153 PolarHBondContact O-N 3.33Å; A149-Q154 CarbonylContact C-O 3.6Å; A149-Q154 VanDerWaalsContact C-O 3.25Å; A149-Q154 HydrophobicContact CB-CB 4.47Å; A149-Q154 CarbonylContact O-C 3.58Å; A149-Q154 PolarHBondContact O-N 2.93Å; A149-Q154 VanDerWaalsContact O-O 3.06Å; A149-I156 HydrophobicContact CB-CD1 3.77Å; A149-I156 HydrophobicContact CB-CG1 4.09Å; A149-L234 HydrophobicContact CB-CD2 3.64Å
150S91.7Very high92.7Very high87 Ų8778.8 Ų78.861%0.60842%0.416SS*.Hα-helixtrans-63.8-37.1179.7-57.70000112.4E146 I148 F152 G153E146-S150 VanDerWaalsContact O-CB 3.23Å; E146-S150 WeakPolarHBondContact O-CB 3.32Å; E146-S150 PolarHBondContact O-N 2.84Å; E146-S150 PolarHBondContact O-OG 3.31Å; I148-S150 VanDerWaalsContact C-N 3.3Å; I148-S150 PolarHBondContact O-N 3.47Å; S150-F152 PolarHBondContact O-N 3.22Å; S150-G153 PolarHBondContact O-N 2.86Å; S150-G153 VanDerWaalsContact O-N 3.11Å
151A92.6Very high92.4Very high82 Ų8279.9 Ų79.968%0.67842%0.422SS*.Hα-helixtrans-62.8-24.517700000113.3L147 I148 A149L147-A151 WeakPolarHBondContact O-CB 3.33Å; L147-A151 PolarHBondContact O-N 3.03Å; I148-A151 WeakPolarHBondContact O-CB 3.19Å; I148-A151 PolarHBondContact O-N 3.01Å; I148-A151 VanDerWaalsContact O-N 3.16Å; A149-A151 VanDerWaalsContact C-N 3.33Å; A149-A151 PolarHBondContact O-N 3.45Å
152F88.7Confident92.2Very high159 Ų15982.8 Ų82.870%0.69744%0.439SS*.THydrogen-bonded Turntrans-103.510.3176.3-66.3-78.5000113.5I148 A149 S150 Q154I148-F152 HydrophobicContact CG2-CD2 4.17Å; I148-F152 HydrophobicContact CG2-CE2 4.1Å; I148-F152 VanDerWaalsContact O-CD2 3.22Å; I148-F152 WeakPolarHBondContact O-CD2 3.49Å; I148-F152 PolarHBondContact O-N 3.31Å; A149-F152 CarbonylContact O-C 3.55Å; A149-F152 PolarHBondContact O-N 2.66Å; A149-F152 VanDerWaalsContact O-N 3.15Å; S150-F152 PolarHBondContact O-N 3.22Å; F152-Q154 HydrophobicContact CB-CG 4.14Å; F152-Q154 PolarHBondContact O-N 2.76Å
153G89.4Confident92Very high63 Ų6380.9 Ų80.965%0.64943%0.434SS*.THydrogen-bonded Turntrans66.318.1-177.800000114.1A149 S150A149-G153 PolarHBondContact O-N 3.33Å; S150-G153 PolarHBondContact O-N 2.86Å; S150-G153 VanDerWaalsContact O-N 3.11Å
154Q89.3Confident91.6Very high41 Ų4179.8 Ų79.819%0.19243%0.429CS..  trans-99.3166.3177.2-55.4-72.3-72.300109.6A149 F152 L234 S235A149-Q154 CarbonylContact C-O 3.6Å; A149-Q154 VanDerWaalsContact C-O 3.25Å; A149-Q154 HydrophobicContact CB-CB 4.47Å; A149-Q154 CarbonylContact O-C 3.58Å; A149-Q154 PolarHBondContact O-N 2.93Å; A149-Q154 VanDerWaalsContact O-O 3.06Å; F152-Q154 HydrophobicContact CB-CG 4.14Å; F152-Q154 PolarHBondContact O-N 2.76Å; Q154-L234 HydrophobicContact CB-CB 4.39Å; Q154-L234 HydrophobicContact CB-CD2 4.11Å; Q154-S235 PolarHBondContact OE1-O 2.92Å
155R91.2Very high90.6Very high196 Ų19680.4 Ų80.474%0.7444%0.436SS*.EExtended strand (participates in β ladder)trans-124.9148.5169.1-56.9-179.6175.8-171.4-1.6110.8Q157 S235R155-Q157 PolarHBondContact O-N 2.86Å; R155-S235 WeakPolarHBondContact CA-OG 3.16Å; R155-S235 WeakPolarHBondContact CB-OG 3.26Å; R155-S235 PolarHBondContact N-OG 2.65Å; R155-S235 VanDerWaalsContact N-OG 3.15Å; R155-S235 PolarHBondContact O-N 3.04Å; R155-S235 PolarHBondContact O-OG 3.43Å
156I91.9Very high89.4Confident54 Ų5484.6 Ų84.628%0.27746%0.455SS..EExtended strand (participates in β ladder)trans-66.4119.7170.7-56.4-60.3000109V12 A145 E146 A149 C232 L234V12-I156 HydrophobicContact CG1-CD1 3.57Å; A145-I156 HydrophobicContact CB-CD1 3.84Å; A145-I156 HydrophobicContact CB-CG1 4.31Å; E146-I156 HydrophobicContact CG-CG1 4.26Å; A149-I156 HydrophobicContact CB-CD1 3.77Å; A149-I156 HydrophobicContact CB-CG1 4.09Å; I156-C232 HydrophobicContact CD1-CB 3.98Å; I156-C232 HydrophobicContact CG2-CB 3.95Å; I156-L234 HydrophobicContact CD1-CD2 3.91Å
157Q90.9Very high88Confident147 Ų14782.6 Ų82.669%0.68745%0.449SS*.EExtended strand (participates in β ladder)trans-88.3-35.1178.2-173.917810.500111.8R155 A233R155-Q157 PolarHBondContact O-N 2.86Å; Q157-A233 HydrophobicContact CB-CB 4.27Å; Q157-A233 PolarHBondContact N-O 2.82Å
158G90.5Very high86.6Confident31 Ų3183.3 Ų83.332%0.3245%0.453SS..EExtended strand (participates in β ladder)trans179.7168.7-177.100000112.7C232 A233G158-C232 CarbonylContact O-C 3.58Å; G158-C232 VanDerWaalsContact O-CA 3.32Å; G158-C232 WeakPolarHBondContact O-CA 3.34Å; G158-A233 PolarHBondContact O-N 3.22Å
159L91.4Very high85Confident114 Ų11483 Ų8360%0.59745%0.45SS*.EExtended strand (participates in β ladder)trans-86.2126.4176.2178.765.3000109.5V162 V230L159-V162 HydrophobicContact CD1-CG2 3.62Å; L159-V162 HydrophobicContact CD2-CG2 3.65Å; L159-V162 HydrophobicContact CG-CG2 4.02Å; L159-V230 HydrophobicContact CD1-CG1 3.41Å; L159-V230 VanDerWaalsContact CD1-CG1 3.41Å
160I91.3Very high83Confident87 Ų8786.8 Ų86.845%0.44647%0.473SS..EExtended strand (participates in β ladder)trans-94.3-50176.9-61.4172.8000110E11 I231 A233E11-I160 HydrophobicContact CG-CD1 3.74Å; I160-I231 WeakPolarHBondContact CA-O 3.47Å; I160-I231 HydrophobicContact CB-CB 4.35Å; I160-I231 HydrophobicContact CB-CG2 4.21Å; I160-I231 WeakPolarHBondContact CB-O 3.47Å; I160-I231 HydrophobicContact CD1-CG2 4.19Å; I160-I231 PolarHBondContact N-O 3.12Å; I160-A233 HydrophobicContact CD1-CB 3.84Å; I160-A233 HydrophobicContact CG1-CB 4Å
161N90.9Very high80.8Confident69 Ų6988.6 Ų88.637%0.36948%0.476SS..EExtended strand (participates in β ladder)trans-150.3150.3-174-164.210.5000112V230 I231N161-V230 WeakPolarHBondContact O-CA 3.35Å; N161-I231 HydrophobicContact CB-CB 4.13Å; N161-I231 HydrophobicContact CB-CD1 4.14Å; N161-I231 HydrophobicContact CB-CG1 4.2Å; N161-I231 PolarHBondContact N-O 3.28Å; N161-I231 VanDerWaalsContact N-O 3.16Å; N161-I231 PolarHBondContact O-N 3.29Å
162V90.3Very high78.5Confident64 Ų6491.9 Ų91.939%0.38848%0.477SS..EExtended strand (participates in β ladder)trans-135.9124.9171.5-177.40000108.4L159 L228 H229 V230L159-V162 HydrophobicContact CD1-CG2 3.62Å; L159-V162 HydrophobicContact CD2-CG2 3.65Å; L159-V162 HydrophobicContact CG-CG2 4.02Å; V162-L228 HydrophobicContact CG1-CB 4.49Å; V162-L228 HydrophobicContact CG1-CD1 4.5Å; V162-L228 HydrophobicContact CG1-CD2 4.32Å; V162-H229 CarbonylContact C-O 3.55Å; V162-H229 WeakPolarHBondContact CA-O 3.47Å; V162-V230 HydrophobicContact CG1-CG2 4.39Å; V162-V230 HydrophobicContact CG2-CG2 4.35Å
163I90.7Very high76.3Confident84 Ų8489.8 Ų89.843%0.43147%0.469SS..EExtended strand (participates in β ladder)trans-122.4124.5176.7-57.5172000107.9L228 H229I163-L228 CarbonylContact O-C 3.58Å; I163-L228 WeakPolarHBondContact O-CA 3.45Å; I163-H229 HydrophobicContact CB-CB 4.44Å; I163-H229 PolarHBondContact N-O 2.81Å; I163-H229 PolarHBondContact O-N 2.77Å
164E87.9Confident74Confident82 Ų8290.8 Ų90.838%0.38346%0.459SS..EExtended strand (participates in β ladder)trans-81.8117.2168.3-170.2-179.8136.600108.6R130 C167 I226 L228R130-E164 IonicContact CZ-OE1 3.96Å; R130-E164 IonicContact CZ-OE2 3.87Å; R130-E164 IonicContact NH1-OE1 2.65Å; R130-E164 IonicContact NH2-OE1 2.84Å; R130-E164 PolarHBondContact NH2-OE1 2.92Å; R130-E164 IonicContact NH2-OE2 3.52Å; R130-E164 PolarHBondContact NH2-OE2 3.15Å; E164-C167 WeakPolarHBondContact OE1-CB 3.44Å; E164-I226 HydrophobicContact CG-CG2 4.15Å; E164-L228 HydrophobicContact CB-CD2 3.82Å; E164-L228 HydrophobicContact CG-CD2 3.93Å
165D76.5Confident71.3Confident79 Ų7995.8 Ų95.842%0.42248%0.483SS..EExtended strand (participates in β ladder)trans-91.6-45.6-172.9-162.532.8000111.7K227 H229D165-K227 HydrophobicContact CB-CD 4.35Å; D165-K227 HydrophobicContact CB-CG 4.41Å; D165-K227 PolarHBondContact N-O 3.1Å; D165-K227 WeakPolarHBondContact OD2-CE 3.49Å; D165-K227 IonicContact OD2-NZ 3.25Å; D165-K227 PolarHBondContact OD2-NZ 2.93Å; D165-H229 VanDerWaalsContact CB-CD2 3.47Å; D165-H229 WeakPolarHBondContact CB-CD2 3.38Å; D165-H229 WeakPolarHBondContact CB-NE2 3.34Å; D165-H229 IonicContact OD1-NE2 2.67Å; D165-H229 IonicContact OD2-CD2 3.65Å; D165-H229 IonicContact OD2-CE1 2.75Å; D165-H229 IonicContact OD2-NE2 3.72Å; D165-H229 PolarHBondContact OD2-NE2 3.45Å
166E67.7Low68.7Low91 Ų9191 Ų9143%0.42547%0.471SS..EExtended strand (participates in β ladder)trans-138.3128.2-174-71.4173.4176.600109.4K227E166-K227 HydrophobicContact CB-CB 4.3Å; E166-K227 PolarHBondContact O-N 3.22Å
167C64.9Low65.8Low37 Ų3794.7 Ų94.725%0.2550%0.496CS..EExtended strand (participates in β ladder)trans-126.8122.5160.7-170.60000107.8R130 E164 F169R130-C167 PolarHBondContact NH1-SG 2.87Å; E164-C167 WeakPolarHBondContact OE1-CB 3.44Å; C167-F169 PolarHBondContact O-N 3.16Å
168D65.5Low63.2Low112 Ų11290.1 Ų90.160%0.59948%0.478SS*.SBendtrans-69.927.5176.8-70.8-30.7000113R225D168-R225 WeakPolarHBondContact OD2-CB 3.32Å
169F59.9Low60.4Low63 Ų6394.4 Ų94.428%0.27650%0.5SS..  trans-129.2119.5-175.7-172.6-100.9000111.7M126 C167 D171M126-F169 HydrophobicContact CE-CD2 3.48Å; M126-F169 VanDerWaalsContact CE-CD2 3.48Å; M126-F169 HydrophobicContact CE-CE2 3.25Å; M126-F169 HydrophobicContact CE-CG 4.39Å; M126-F169 HydrophobicContact CE-CZ 4Å; C167-F169 PolarHBondContact O-N 3.16Å; F169-D171 HydrophobicContact CE1-CB 4.42Å; F169-D171 WeakPolarHBondContact CE1-OD1 3.4Å
170T50.4Low57.6Low81 Ų8198.7 Ų98.750%0.49751%0.509SS..  trans-101.8130.5158.9460000108.7E172 Q173T170-E172 PolarHBondContact O-N 2.94Å; T170-Q173 PolarHBondContact O-N 3.14Å
171D46Very low54.9Low124 Ų12496.9 Ų96.966%0.66350%0.504SS*.G310 helixtrans-52-20.4176.2-88.6-45.8000113.3F169 Q173 L174F169-D171 HydrophobicContact CE1-CB 4.42Å; F169-D171 WeakPolarHBondContact CE1-OD1 3.4Å; D171-Q173 VanDerWaalsContact C-N 3.3Å; D171-Q173 PolarHBondContact O-N 3.42Å; D171-L174 PolarHBondContact O-N 2.79Å
172E43.3Very low52.3Low151 Ų15198.9 Ų98.971%0.70651%0.514SS*.G310 helixtrans-70.9-17.5-176.5-62.2-171.7159.300114.5T170 L174 Q175T170-E172 PolarHBondContact O-N 2.94Å; E172-L174 PolarHBondContact O-N 3.46Å; E172-Q175 PolarHBondContact O-N 3.1Å
173Q42.5Very low49.8Very low115 Ų115100.1 Ų100.154%0.53752%0.519SS..G310 helixtrans-773.7176.2-64.9-169.91800114T170 D171 Q175T170-Q173 PolarHBondContact O-N 3.14Å; D171-Q173 VanDerWaalsContact C-N 3.3Å; D171-Q173 PolarHBondContact O-N 3.42Å; Q173-Q175 PolarHBondContact O-N 3.28Å
174L40.6Very low47.6Very low85 Ų8598.4 Ų98.445%0.44551%0.508SS..G310 helixtrans-74.4-4.3165.3-70.7169000113D171 E172D171-L174 PolarHBondContact O-N 2.79Å; E172-L174 PolarHBondContact O-N 3.46Å
175Q32.6Very low45.4Very low145 Ų14596.7 Ų96.768%0.67851%0.505SS*.SBendtrans-90111.6173.8-61.4-171.121.200110.4E172 Q173 T177E172-Q175 PolarHBondContact O-N 3.1Å; Q173-Q175 PolarHBondContact O-N 3.28Å; Q175-T177 PolarHBondContact O-N 3.18Å; Q175-T177 PolarHBondContact O-OG1 3.3Å
176I37.5Very low43.9Very low95 Ų9596.3 Ų96.349%0.48750%0.504SS..  trans-53.498.4169.5-60.7166.3000108.2K28 E118 T178K28-I176 HydrophobicContact CD-CD1 4.28Å; E118-I176 WeakPolarHBondContact OE2-CG2 3.49Å; I176-T178 VanDerWaalsContact C-N 3.33Å; I176-T178 HydrophobicContact CG2-CG2 4.15Å; I176-T178 PolarHBondContact O-N 3.42Å
177T30.9Very low42.8Very low133 Ų13395.5 Ų95.582%0.81650%0.497SS*.  trans-94.272.5169.25.20000107.4Q175Q175-T177 PolarHBondContact O-N 3.18Å; Q175-T177 PolarHBondContact O-OG1 3.3Å
178T36.2Very low41.6Very low51 Ų5196 Ų9631%0.31350%0.501SS..  trans-57.8136.2159.631.30000108.2E118 I176 R180E118-T178 WeakPolarHBondContact OE1-CG2 3.49Å; I176-T178 VanDerWaalsContact C-N 3.33Å; I176-T178 HydrophobicContact CG2-CG2 4.15Å; I176-T178 PolarHBondContact O-N 3.42Å; T178-R180 PolarHBondContact O-N 3.49Å
179P30.9Very low40.3Very low120 Ų12096.1 Ų96.178%0.77950%0.497SS*.  trans-58.5113.2149.225.3-26.4000106S181P179-S181 PolarHBondContact O-N 3.42Å
180R32.7Very low39.2Very low205 Ų205100.6 Ų100.677%0.77452%0.523SS*.  trans-64.978.8179.9-140.9-174.2175.8176.4-5.6108.6T178 N182T178-R180 PolarHBondContact O-N 3.49Å; R180-N182 WeakPolarHBondContact CG-OD1 3.37Å; R180-N182 PolarHBondContact NE-ND2 3.06Å; R180-N182 VanDerWaalsContact NE-ND2 3.14Å; R180-N182 PolarHBondContact O-N 3.09Å
181S35.1Very low38.5Very low49 Ų49105.3 Ų105.334%0.34354%0.537SS..  trans-74.580159.4173.40000106.3P179 N183P179-S181 PolarHBondContact O-N 3.42Å; S181-N183 PolarHBondContact O-N 2.66Å
182N37Very low38Very low110 Ų110107 Ų10759%0.58854%0.541SS*.  trans-754.3171.3-91.5-2.1000112R180R180-N182 WeakPolarHBondContact CG-OD1 3.37Å; R180-N182 PolarHBondContact NE-ND2 3.06Å; R180-N182 VanDerWaalsContact NE-ND2 3.14Å; R180-N182 PolarHBondContact O-N 3.09Å
183N36.8Very low37.5Very low91 Ų91107.6 Ų107.649%0.48755%0.548SS..  trans-100.398.3-177.9-70.7-13.2000109S181 S185 D186S181-N183 PolarHBondContact O-N 2.66Å; N183-S185 PolarHBondContact O-N 3.44Å; N183-D186 PolarHBondContact O-N 2.87Å
184F45.8Very low37Very low47 Ų47109.3 Ų109.321%0.20656%0.561CS.*THydrogen-bonded Turntrans-48.7-23.5163-103.8-89.9000112.1D73 V84 K86D73-F184 HydrophobicContact CB-CD1 4.29Å; D73-F184 HydrophobicContact CB-CD2 4.27Å; D73-F184 HydrophobicContact CB-CE1 4.11Å; D73-F184 HydrophobicContact CB-CE2 4.08Å; D73-F184 HydrophobicContact CB-CG 4.36Å; D73-F184 HydrophobicContact CB-CZ 3.99Å; D73-F184 WeakPolarHBondContact OD2-CD2 3.35Å; V84-F184 HydrophobicContact CB-CD1 4.26Å; V84-F184 HydrophobicContact CB-CE1 3.71Å; V84-F184 HydrophobicContact CG1-CD1 4.41Å; V84-F184 HydrophobicContact CG1-CE1 3.64Å; V84-F184 HydrophobicContact CG2-CD1 4.48Å; V84-F184 HydrophobicContact CG2-CE1 4.4Å; K86-F184 HydrophobicContact CB-CZ 4.3Å
185S41.8Very low36.6Very low46 Ų46113.1 Ų113.132%0.32258%0.582SS.*THydrogen-bonded Turntrans-66.8-30.3174.475.70000114.3N183 Y187 C188 Q189N183-S185 PolarHBondContact O-N 3.44Å; S185-Y187 PolarHBondContact O-N 3.33Å; S185-C188 WeakPolarHBondContact O-CA 3.45Å; S185-C188 WeakPolarHBondContact O-CB 3.34Å; S185-C188 PolarHBondContact O-N 3.45Å; S185-Q189 WeakPolarHBondContact O-CG 3.49Å; S185-Q189 PolarHBondContact O-N 3.47Å; S185-Q189 VanDerWaalsContact O-N 3.1Å
186D44.9Very low36.7Very low72 Ų72114.6 Ų114.639%0.38559%0.589SS.*Hα-helixtrans-69.3-35.3-175.6-76.1-13.2000112N183 C188 Q189N183-D186 PolarHBondContact O-N 2.87Å; D186-C188 PolarHBondContact O-N 3.04Å; D186-Q189 PolarHBondContact O-N 3.01Å
187Y43.3Very low36.6Very low73 Ų73116.6 Ų116.629%0.28660%0.601SS.*Hα-helixtrans-66.7-20.6173.5-66.9-78.9000112.5L32 T116 S185L32-Y187 HydrophobicContact CD1-CD1 4.34Å; L32-Y187 HydrophobicContact CD1-CG 4.4Å; T116-Y187 VanDerWaalsContact CG2-OH 3.27Å; T116-Y187 WeakPolarHBondContact CG2-OH 3.37Å; S185-Y187 PolarHBondContact O-N 3.33Å
188C39.8Very low36.8Very low49 Ų49116.8 Ų116.833%0.33160%0.596SS.*Hα-helixtrans-91.9-20.2178.7-600000112.9N82 S185 D186N82-C188 PolarHBondContact ND2-SG 3.41Å; S185-C188 WeakPolarHBondContact O-CA 3.45Å; S185-C188 WeakPolarHBondContact O-CB 3.34Å; S185-C188 PolarHBondContact O-N 3.45Å; D186-C188 PolarHBondContact O-N 3.04Å
189Q38.3Very low36.7Very low113 Ų113120.3 Ų120.353%0.52862%0.618SS.*Hα-helixtrans-86.7-3.8-177.1-73.8-178.230.400115.5S185 D186 K191 Q192S185-Q189 WeakPolarHBondContact O-CG 3.49Å; S185-Q189 PolarHBondContact O-N 3.47Å; S185-Q189 VanDerWaalsContact O-N 3.1Å; D186-Q189 PolarHBondContact O-N 3.01Å; Q189-K191 PolarHBondContact O-N 2.77Å; Q189-Q192 PolarHBondContact O-N 3.12Å
190L36.5Very low36.6Very low157 Ų157122.9 Ų122.982%0.82263%0.625SS**THydrogen-bonded Turntrans-66.321172.9-86.2163.9000114.9
191K36.3Very low36.4Very low181 Ų181116.6 Ų116.679%0.78763%0.625SS**THydrogen-bonded Turntrans-133.412.9173.5-86.6-165.9174.7-171.30115.6Q189Q189-K191 PolarHBondContact O-N 2.77Å
192Q35.4Very low36Very low160 Ų160117.6 Ų117.675%0.74864%0.643SS**SBendtrans-129.41.1-177.3-73.4-174.9-2.400117.6Q189 N194Q189-Q192 PolarHBondContact O-N 3.12Å; Q192-N194 PolarHBondContact O-N 3.29Å
193L32.4Very low35.7Very low163 Ų163119.6 Ų119.685%0.85366%0.659SS**SBendtrans-95.484.2164.7-102.7111.3000110.2
194N33Very low35.2Very low151 Ų151119.2 Ų119.281%0.80768%0.676SS**SBendtrans16180.2156.2-84.6-10.9000107.8Q192Q192-N194 PolarHBondContact O-N 3.29Å
195N31.8Very low34.4Very low164 Ų164123.6 Ų123.688%0.87770%0.697SS**  trans-170.260.9156.5-98.6-9.2000110.4
196E35.2Very low33.8Very low177 Ų177127 Ų12783%0.82772%0.72SS**SBendtrans-113.5129144.3-74.7-173.7160.300105.6
197N34.6Very low33.4Very low137 Ų137131.7 Ų131.773%0.73373%0.734SS**SBendtrans97.5105.7176.3-47.3-41.4000116.7
198N34.9Very low33.8Very low136 Ų136134.4 Ų134.473%0.72775%0.75SS**  trans84.7110.3131.4-65.7-20.4000119.6
199T33.5Very low34.6Very low126 Ų126143.2 Ų143.277%0.77378%0.776SS**  52.4115.4129.852.20000119.1
200D29.9Very low36.1Very low173 Ų173143.3 Ų143.393%0.92579%0.786SS**  trans57.2113.8133.2-122.5-2.4000118.4
201G28Very low38Very low74 Ų74138.9 Ų138.976%0.76376%0.76SS**  trans103.4112.4160.300000115.9
202G26.2Very low40.3Very low70 Ų70133.7 Ų133.772%0.72274%0.741SS**  trans86.8125.613900000118.8
203V30.4Very low42.7Very low152 Ų152127.7 Ų127.792%0.92171%0.712SS**  trans70.587.2145.9-161.90000116.6
204G26.7Very low45.2Very low82 Ų82124 Ų12485%0.84569%0.693SS**  trans-127.157.1172.500000113.6
205Q30Very low47.7Very low139 Ų139122.6 Ų122.665%0.6568%0.68SS**  trans-106.587.4161.8-76.7-173.14.200108.9Y207Q205-Y207 HydrophobicContact CB-CD1 4.44Å; Q205-Y207 HydrophobicContact CB-CE1 3.8Å; Q205-Y207 HydrophobicContact CB-CE2 4.19Å; Q205-Y207 VanDerWaalsContact O-CD2 3.26Å; Q205-Y207 WeakPolarHBondContact O-CD2 3.44Å; Q205-Y207 WeakPolarHBondContact O-CE2 3.38Å; Q205-Y207 PolarHBondContact O-N 3.38Å; Q205-Y207 VanDerWaalsContact O-N 3.15Å; Q205-Y207 VanDerWaalsContact OE1-CE1 3.25Å; Q205-Y207 PolarHBondContact OE1-OH 2.9Å
206S29.4Very low50.1Low117 Ų117116 Ų11682%0.81865%0.646SS**  trans-72.796.1160.1168.60000107.4E208S206-E208 PolarHBondContact O-N 2.81Å
207Y34.9Very low52.6Low171 Ų171107.9 Ų107.967%0.67161%0.609SS**  trans-67.3113.4166.8-40.7-84.2000106.8Q205 R209Q205-Y207 HydrophobicContact CB-CD1 4.44Å; Q205-Y207 HydrophobicContact CB-CE1 3.8Å; Q205-Y207 HydrophobicContact CB-CE2 4.19Å; Q205-Y207 VanDerWaalsContact O-CD2 3.26Å; Q205-Y207 WeakPolarHBondContact O-CD2 3.44Å; Q205-Y207 WeakPolarHBondContact O-CE2 3.38Å; Q205-Y207 PolarHBondContact O-N 3.38Å; Q205-Y207 VanDerWaalsContact O-N 3.15Å; Q205-Y207 VanDerWaalsContact OE1-CE1 3.25Å; Q205-Y207 PolarHBondContact OE1-OH 2.9Å; Y207-R209 PolarHBondContact O-N 3.34Å
208E53.5Low55Low131 Ų131107.8 Ų107.861%0.61260%0.598SS**  trans-49.6108.9165.3-79-178.6174.700107R113 S206R113-E208 IonicContact NH1-OE1 3.29Å; R113-E208 PolarHBondContact NH1-OE1 2.79Å; S206-E208 PolarHBondContact O-N 2.81Å
209R56Low57.3Low234 Ų234107 Ų10788%0.88359%0.594SS**PPolyproline II helixtrans-53.2131.2-178.1-78.8-172-169.2-174.54.4107.9Y207 F211Y207-R209 PolarHBondContact O-N 3.34Å; R209-F211 PolarHBondContact O-N 2.87Å
210P69.8Low59.8Low114 Ų114101.9 Ų101.974%0.7456%0.564SS**PPolyproline II helixtrans-50.3129.9172.6-25.433.2000109.2D212P210-D212 PolarHBondContact O-N 3.46Å; P210-D212 VanDerWaalsContact O-N 3.14Å
211F76.3Confident62.6Low64 Ų6497.4 Ų97.428%0.28154%0.538SS..PPolyproline II helixtrans-54.5122175.8172.3-95.1000109.8L114 V117 R209 W213 S216L114-F211 HydrophobicContact CD2-CB 3.32Å; L114-F211 HydrophobicContact CD2-CD1 3.77Å; L114-F211 HydrophobicContact CD2-CD2 3.81Å; L114-F211 HydrophobicContact CD2-CG 3.34Å; V117-F211 HydrophobicContact CB-CE1 3.92Å; V117-F211 HydrophobicContact CB-CE2 3.72Å; V117-F211 HydrophobicContact CB-CZ 3.27Å; V117-F211 HydrophobicContact CG1-CE1 3.76Å; V117-F211 HydrophobicContact CG1-CE2 4.37Å; V117-F211 HydrophobicContact CG1-CZ 3.44Å; V117-F211 VanDerWaalsContact CG1-CZ 3.44Å; V117-F211 HydrophobicContact CG2-CD1 4.35Å; V117-F211 HydrophobicContact CG2-CD2 4.34Å; V117-F211 HydrophobicContact CG2-CE1 3.85Å; V117-F211 HydrophobicContact CG2-CE2 3.83Å; V117-F211 HydrophobicContact CG2-CZ 3.57Å; R209-F211 PolarHBondContact O-N 2.87Å; F211-W213 AromaticContact CD1-CD1 3.75Å; F211-W213 HydrophobicContact CD1-CD2 4.07Å; F211-W213 AromaticContact CD1-CE2 3.92Å; F211-W213 AromaticContact CD1-CG 3.96Å; F211-W213 HydrophobicContact CD1-CG 3.96Å; F211-W213 AromaticContact CD1-NE1 3.72Å; F211-W213 HydrophobicContact CE1-CB 4.44Å; F211-W213 AromaticContact CE1-CD2 3.7Å; F211-W213 HydrophobicContact CE1-CD2 3.7Å; F211-W213 AromaticContact CE1-CE2 3.86Å; F211-W213 HydrophobicContact CE1-CE3 4.08Å; F211-W213 AromaticContact CE1-CG 3.88Å; F211-W213 HydrophobicContact CE1-CG 3.88Å; F211-W213 HydrophobicContact CE1-CZ2 4.36Å; F211-W213 PolarHBondContact O-N 3.1Å; F211-W213 VanDerWaalsContact O-N 3.16Å; F211-S216 WeakPolarHBondContact CZ-OG 3.35Å
212D84.3Confident65.3Low72 Ų7299.6 Ų99.639%0.38552%0.523SS..  trans-84.491.8-178.5-176.20.1000110P210 N214 K215 S216 R218P210-D212 PolarHBondContact O-N 3.46Å; P210-D212 VanDerWaalsContact O-N 3.14Å; D212-N214 PolarHBondContact O-N 3.02Å; D212-N214 WeakPolarHBondContact OD1-CA 3.32Å; D212-N214 WeakPolarHBondContact OD1-CB 3.38Å; D212-N214 PolarHBondContact OD1-N 2.92Å; D212-K215 HydrophobicContact CB-CB 3.98Å; D212-K215 WeakPolarHBondContact O-CB 3.29Å; D212-K215 PolarHBondContact O-N 2.85Å; D212-K215 VanDerWaalsContact O-N 3.12Å; D212-K215 PolarHBondContact OD1-N 2.84Å; D212-K215 WeakPolarHBondContact OD2-CB 3.39Å; D212-S216 PolarHBondContact O-N 2.92Å; D212-R218 IonicContact OD2-NH2 2.66Å
213W85.5Confident68.2Low34 Ų34103 Ų10313%0.12951%0.514CS..Hα-helixtrans-51.6-37.7173.1-80.696000113.3V29 I94 I97 K98 L101 V117 F211 K215 S216 L217V29-W213 HydrophobicContact CG2-CH2 3.82Å; I94-W213 HydrophobicContact CG2-CE3 4.29Å; I94-W213 HydrophobicContact CG2-CZ3 4.19Å; I97-W213 HydrophobicContact CG2-CH2 3.69Å; I97-W213 HydrophobicContact CG2-CZ2 4.29Å; I97-W213 HydrophobicContact CG2-CZ3 4.35Å; K98-W213 HydrophobicContact CD-CD2 4.1Å; K98-W213 HydrophobicContact CD-CE3 4.46Å; K98-W213 HydrophobicContact CD-CG 4.13Å; K98-W213 VanDerWaalsContact CE-CE3 3.49Å; K98-W213 HydrophobicContact CG-CD2 3.61Å; K98-W213 VanDerWaalsContact CG-CE2 3.5Å; K98-W213 HydrophobicContact CG-CE3 4.13Å; K98-W213 HydrophobicContact CG-CG 3.93Å; K98-W213 HydrophobicContact CG-CH2 4.43Å; K98-W213 HydrophobicContact CG-CZ2 3.96Å; L101-W213 HydrophobicContact CD1-CZ2 3.55Å; V117-W213 HydrophobicContact CG1-CH2 4.06Å; V117-W213 HydrophobicContact CG1-CZ3 3.99Å; F211-W213 AromaticContact CD1-CD1 3.75Å; F211-W213 HydrophobicContact CD1-CD2 4.07Å; F211-W213 AromaticContact CD1-CE2 3.92Å; F211-W213 AromaticContact CD1-CG 3.96Å; F211-W213 HydrophobicContact CD1-CG 3.96Å; F211-W213 AromaticContact CD1-NE1 3.72Å; F211-W213 HydrophobicContact CE1-CB 4.44Å; F211-W213 AromaticContact CE1-CD2 3.7Å; F211-W213 HydrophobicContact CE1-CD2 3.7Å; F211-W213 AromaticContact CE1-CE2 3.86Å; F211-W213 HydrophobicContact CE1-CE3 4.08Å; F211-W213 AromaticContact CE1-CG 3.88Å; F211-W213 HydrophobicContact CE1-CG 3.88Å; F211-W213 HydrophobicContact CE1-CZ2 4.36Å; F211-W213 PolarHBondContact O-N 3.1Å; F211-W213 VanDerWaalsContact O-N 3.16Å; W213-K215 VanDerWaalsContact C-N 3.31Å; W213-K215 PolarHBondContact O-N 3.39Å; W213-S216 PolarHBondContact O-N 2.89Å; W213-L217 WeakPolarHBondContact O-CB 3.37Å; W213-L217 VanDerWaalsContact O-CG 3.23Å; W213-L217 WeakPolarHBondContact O-CG 3.37Å; W213-L217 PolarHBondContact O-N 2.98Å
214N85.7Confident70.8Confident87 Ų8796.4 Ų96.447%0.46547%0.473SS..Hα-helixtrans-70.4-34.6-176.5-59.6-34.6000110.5D212 R218D212-N214 PolarHBondContact O-N 3.02Å; D212-N214 WeakPolarHBondContact OD1-CA 3.32Å; D212-N214 WeakPolarHBondContact OD1-CB 3.38Å; D212-N214 PolarHBondContact OD1-N 2.92Å; N214-R218 WeakPolarHBondContact O-CB 3.45Å; N214-R218 VanDerWaalsContact O-CG 3.26Å; N214-R218 WeakPolarHBondContact O-CG 3.28Å; N214-R218 PolarHBondContact O-N 2.93Å
215K84.8Confident73.9Confident121 Ų12197 Ų9753%0.52645%0.45SS..Hα-helixtrans-63.1-46.8173-174.1178.5178.9-176.60111.3D212 W213 R218 N219D212-K215 HydrophobicContact CB-CB 3.98Å; D212-K215 WeakPolarHBondContact O-CB 3.29Å; D212-K215 PolarHBondContact O-N 2.85Å; D212-K215 VanDerWaalsContact O-N 3.12Å; D212-K215 PolarHBondContact OD1-N 2.84Å; D212-K215 WeakPolarHBondContact OD2-CB 3.39Å; W213-K215 VanDerWaalsContact C-N 3.31Å; W213-K215 PolarHBondContact O-N 3.39Å; K215-R218 PolarHBondContact O-N 2.85Å; K215-N219 VanDerWaalsContact O-CB 3.31Å; K215-N219 WeakPolarHBondContact O-CB 3.41Å; K215-N219 PolarHBondContact O-N 3.19Å; K215-N219 PolarHBondContact O-OD1 3.12Å
216S83.3Confident76.8Confident25 Ų2590.4 Ų90.418%0.17542%0.419CS..Hα-helixtrans-66.7-38.7179.3-67.90000113F211 D212 W213 N219 A220F211-S216 WeakPolarHBondContact CZ-OG 3.35Å; D212-S216 PolarHBondContact O-N 2.92Å; W213-S216 PolarHBondContact O-N 2.89Å; S216-N219 PolarHBondContact O-N 2.83Å; S216-A220 WeakPolarHBondContact O-CB 3.26Å; S216-A220 PolarHBondContact O-N 3.35Å
217L87Confident79.8Confident7 Ų787.1 Ų87.14%0.03739%0.39CS..Hα-helixtrans-64.2-45.8175.1-69.1171.1000111.8P24 I94 C119 W213 A220 Q221P24-L217 HydrophobicContact CG-CD2 3.76Å; I94-L217 HydrophobicContact CD1-CD2 3.95Å; I94-L217 HydrophobicContact CG2-CD2 4.44Å; C119-L217 HydrophobicContact CB-CD2 4.28Å; W213-L217 WeakPolarHBondContact O-CB 3.37Å; W213-L217 VanDerWaalsContact O-CG 3.23Å; W213-L217 WeakPolarHBondContact O-CG 3.37Å; W213-L217 PolarHBondContact O-N 2.98Å; L217-A220 CarbonylContact O-C 3.5Å; L217-A220 PolarHBondContact O-N 3Å; L217-Q221 PolarHBondContact O-N 3.04Å
218R86.2Confident82.6Confident134 Ų13479.3 Ų79.351%0.50636%0.36SS..Hα-helixtrans-63-41.6175.6-75.4-171.5-61.2-101.6-1.4112.5D212 N214 K215 A220 Q221D212-R218 IonicContact OD2-NH2 2.66Å; N214-R218 WeakPolarHBondContact O-CB 3.45Å; N214-R218 VanDerWaalsContact O-CG 3.26Å; N214-R218 WeakPolarHBondContact O-CG 3.28Å; N214-R218 PolarHBondContact O-N 2.93Å; K215-R218 PolarHBondContact O-N 2.85Å; R218-A220 VanDerWaalsContact C-N 3.26Å; R218-A220 PolarHBondContact O-N 3.25Å; R218-Q221 WeakPolarHBondContact O-CB 3.45Å; R218-Q221 PolarHBondContact O-N 2.81Å
219N83.1Confident84.4Confident121 Ų12176 Ų7665%0.64734%0.344SS*.Hα-helixtrans-66.4-31.2178.8-73.5-0.8000112.5K215 S216K215-N219 VanDerWaalsContact O-CB 3.31Å; K215-N219 WeakPolarHBondContact O-CB 3.41Å; K215-N219 PolarHBondContact O-N 3.19Å; K215-N219 PolarHBondContact O-OD1 3.12Å; S216-N219 PolarHBondContact O-N 2.83Å
220A86Confident86.1Confident17 Ų1765.3 Ų65.314%0.1431%0.305CS..Hα-helixtrans-89.1-4.2176.800000113P24 C119 Y121 S216 L217 R218 R222P24-A220 HydrophobicContact CB-CB 4.47Å; P24-A220 HydrophobicContact CG-CB 3.84Å; C119-A220 HydrophobicContact CB-CB 3.74Å; C119-A220 WeakPolarHBondContact O-CB 3.41Å; Y121-A220 WeakPolarHBondContact CE2-O 3.34Å; Y121-A220 PolarHBondContact OH-O 2.83Å; S216-A220 WeakPolarHBondContact O-CB 3.26Å; S216-A220 PolarHBondContact O-N 3.35Å; L217-A220 CarbonylContact O-C 3.5Å; L217-A220 PolarHBondContact O-N 3Å; R218-A220 VanDerWaalsContact C-N 3.26Å; R218-A220 PolarHBondContact O-N 3.25Å; A220-R222 PolarHBondContact O-N 2.77Å
221Q87.8Confident87.2Confident80 Ų8061.4 Ų61.437%0.37428%0.277SS..  trans-61.1134.4177.6-166.8174.8-4.800110T21 S22 Y121 L217 R218T21-Q221 HydrophobicContact CG2-CG 3.76Å; S22-Q221 VanDerWaalsContact O-CG 3.32Å; S22-Q221 WeakPolarHBondContact O-CG 3.48Å; Y121-Q221 WeakPolarHBondContact OH-CA 3.15Å; L217-Q221 PolarHBondContact O-N 3.04Å; R218-Q221 WeakPolarHBondContact O-CB 3.45Å; R218-Q221 PolarHBondContact O-N 2.81Å
222R84.2Confident87.9Confident120 Ų12058.8 Ų58.845%0.45327%0.267SS..EExtended strand (participates in β ladder)trans-118.7137.5-179.6-62-65.6-178.9144.16109.7T21 S22 Y121 A220T21-R222 WeakPolarHBondContact CA-O 3.45Å; T21-R222 WeakPolarHBondContact CG2-O 3.19Å; S22-R222 PolarHBondContact N-O 2.89Å; Y121-R222 HydrophobicContact CD2-CG 4.22Å; Y121-R222 HydrophobicContact CE2-CB 3.9Å; Y121-R222 HydrophobicContact CE2-CG 3.41Å; Y121-R222 VanDerWaalsContact CE2-CG 3.41Å; Y121-R222 PolarHBondContact OH-N 3.26Å; A220-R222 PolarHBondContact O-N 2.77Å
223R87.1Confident88.2Confident141 Ų14156.4 Ų56.453%0.53226%0.258SS..EExtended strand (participates in β ladder)trans-98.7120166.7175.9-179.4169168.212106.5E19 T20E19-R223 VanDerWaalsContact CD-CZ 3.43Å; E19-R223 HydrophobicContact CG-CG 3.95Å; E19-R223 WeakPolarHBondContact OE1-CD 2.97Å; E19-R223 IonicContact OE1-CZ 2.88Å; E19-R223 IonicContact OE1-NE 3.76Å; E19-R223 PolarHBondContact OE1-NE 3.19Å; E19-R223 IonicContact OE1-NH1 3.21Å; E19-R223 IonicContact OE1-NH2 2.78Å; E19-R223 PolarHBondContact OE1-NH2 2.66Å; E19-R223 IonicContact OE2-CZ 2.76Å; E19-R223 IonicContact OE2-NE 2.88Å; E19-R223 PolarHBondContact OE2-NE 3.31Å; E19-R223 IonicContact OE2-NH2 3.93Å; E19-R223 PolarHBondContact OE2-NH2 3.15Å; T20-R223 WeakPolarHBondContact O-CA 3.32Å
224I86.1Confident88.4Confident13 Ų1356 Ų567%0.06726%0.258CS..EExtended strand (participates in β ladder)trans-103.3118.2174.9-56.4-172.6000106.6E19 T20 M126 L129 A133 I226E19-I224 VanDerWaalsContact CA-O 3.29Å; E19-I224 WeakPolarHBondContact CA-O 3.45Å; T20-I224 HydrophobicContact CG2-CB 4.01Å; T20-I224 PolarHBondContact N-O 2.83Å; T20-I224 PolarHBondContact O-N 2.8Å; M126-I224 HydrophobicContact CE-CD1 4.02Å; L129-I224 HydrophobicContact CB-CD1 3.49Å; L129-I224 VanDerWaalsContact CB-CD1 3.49Å; L129-I224 HydrophobicContact CD1-CD1 4.17Å; L129-I224 HydrophobicContact CG-CD1 4.48Å; A133-I224 HydrophobicContact CB-CG2 4.18Å; I224-I226 HydrophobicContact CG2-CG1 4.35Å
225R91.1Very high88.2Confident96 Ų9653 Ų5336%0.36224%0.243SC..EExtended strand (participates in β ladder)trans-114.6133.5174.5-167.3-178.1-175.9-168.4-0.5109.2V17 G18 D168V17-R225 HydrophobicContact CG1-CG 4.05Å; G18-R225 WeakPolarHBondContact O-CA 3.34Å; D168-R225 WeakPolarHBondContact OD2-CB 3.32Å
226I90.7Very high87.3Confident0 Ų053.2 Ų53.20%025%0.251CS..EExtended strand (participates in β ladder)trans-126.4129.4174.9-62.2-179.9000107.8V17 G18 R130 A133 V134 A137 E164 I224 L228V17-I226 WeakPolarHBondContact CA-O 3.18Å; G18-I226 PolarHBondContact N-O 2.87Å; G18-I226 PolarHBondContact O-N 2.84Å; R130-I226 HydrophobicContact CG-CD1 3.77Å; R130-I226 WeakPolarHBondContact O-CD1 3.12Å; A133-I226 HydrophobicContact CB-CB 4.28Å; A133-I226 HydrophobicContact CB-CD1 3.63Å; A133-I226 HydrophobicContact CB-CG1 3.85Å; V134-I226 HydrophobicContact CB-CD1 4.48Å; V134-I226 HydrophobicContact CG2-CD1 3.46Å; V134-I226 VanDerWaalsContact CG2-CD1 3.46Å; V134-I226 HydrophobicContact CG2-CG2 4.35Å; A137-I226 HydrophobicContact CB-CG2 4.48Å; E164-I226 HydrophobicContact CG-CG2 4.15Å; I224-I226 HydrophobicContact CG2-CG1 4.35Å; I226-L228 HydrophobicContact CG2-CD2 3.97Å; I226-L228 HydrophobicContact CG2-CG 4.15Å
227K93.1Very high86.2Confident47 Ų4757.3 Ų57.320%0.20427%0.265CS..EExtended strand (participates in β ladder)trans-114.3122.1174.5-176.3-177169.8-152.20109.2G16 V17 D165 E166G16-K227 WeakPolarHBondContact O-CA 3.15Å; V17-K227 HydrophobicContact CG2-CG 4.35Å; D165-K227 HydrophobicContact CB-CD 4.35Å; D165-K227 HydrophobicContact CB-CG 4.41Å; D165-K227 PolarHBondContact N-O 3.1Å; D165-K227 WeakPolarHBondContact OD2-CE 3.49Å; D165-K227 IonicContact OD2-NZ 3.25Å; D165-K227 PolarHBondContact OD2-NZ 2.93Å; E166-K227 HydrophobicContact CB-CB 4.3Å; E166-K227 PolarHBondContact O-N 3.22Å
228L92.2Very high84.5Confident7 Ų764.5 Ų64.54%0.03730%0.304CS..EExtended strand (participates in β ladder)trans-111.3131.9177.5-60.2178.6000109.5S15 G16 V134 A137 V138 V162 I163 E164 I226 V230S15-L228 CarbonylContact C-O 3.25Å; S15-L228 VanDerWaalsContact CA-O 3.24Å; S15-L228 WeakPolarHBondContact CA-O 3.32Å; G16-L228 PolarHBondContact N-O 3.02Å; G16-L228 PolarHBondContact O-N 3.17Å; V134-L228 HydrophobicContact CG1-CD1 4.48Å; A137-L228 HydrophobicContact CB-CB 4.41Å; A137-L228 HydrophobicContact CB-CD1 3.61Å; A137-L228 HydrophobicContact CB-CG 3.76Å; V138-L228 HydrophobicContact CG2-CD1 3.53Å; V162-L228 HydrophobicContact CG1-CB 4.49Å; V162-L228 HydrophobicContact CG1-CD1 4.5Å; V162-L228 HydrophobicContact CG1-CD2 4.32Å; I163-L228 CarbonylContact O-C 3.58Å; I163-L228 WeakPolarHBondContact O-CA 3.45Å; E164-L228 HydrophobicContact CB-CD2 3.82Å; E164-L228 HydrophobicContact CG-CD2 3.93Å; I226-L228 HydrophobicContact CG2-CD2 3.97Å; I226-L228 HydrophobicContact CG2-CG 4.15Å; L228-V230 HydrophobicContact CB-CG2 4.28Å
229H92.7Very high82.8Confident61 Ų6169.4 Ų69.428%0.28234%0.34SS..EExtended strand (participates in β ladder)trans-95.3124.6163.2-63.4-70.5000109V162 I163 D165V162-H229 CarbonylContact C-O 3.55Å; V162-H229 WeakPolarHBondContact CA-O 3.47Å; I163-H229 HydrophobicContact CB-CB 4.44Å; I163-H229 PolarHBondContact N-O 2.81Å; I163-H229 PolarHBondContact O-N 2.77Å; D165-H229 VanDerWaalsContact CB-CD2 3.47Å; D165-H229 WeakPolarHBondContact CB-CD2 3.38Å; D165-H229 WeakPolarHBondContact CB-NE2 3.34Å; D165-H229 IonicContact OD1-NE2 2.67Å; D165-H229 IonicContact OD2-CD2 3.65Å; D165-H229 IonicContact OD2-CE1 2.75Å; D165-H229 IonicContact OD2-NE2 3.72Å; D165-H229 PolarHBondContact OD2-NE2 3.45Å
230V92Very high82.7Confident11 Ų1166.9 Ų66.97%0.06733%0.325CS..EExtended strand (participates in β ladder)trans-121.4130.8-174.3179.90000108.8K13 V14 A141 L159 N161 V162 L228K13-V230 WeakPolarHBondContact CA-O 3.4Å; V14-V230 HydrophobicContact CG2-CB 3.95Å; V14-V230 PolarHBondContact N-O 3.02Å; V14-V230 PolarHBondContact O-N 3.27Å; A141-V230 HydrophobicContact CB-CB 4.01Å; A141-V230 HydrophobicContact CB-CG2 3.52Å; L159-V230 HydrophobicContact CD1-CG1 3.41Å; L159-V230 VanDerWaalsContact CD1-CG1 3.41Å; N161-V230 WeakPolarHBondContact O-CA 3.35Å; V162-V230 HydrophobicContact CG1-CG2 4.39Å; V162-V230 HydrophobicContact CG2-CG2 4.35Å; L228-V230 HydrophobicContact CB-CG2 4.28Å
231I92.2Very high82.6Confident31 Ų3169.5 Ų69.516%0.15934%0.335CS..EExtended strand (participates in β ladder)trans-114.2124.2175.1-49-176.2000107.7E11 V12 K13 I160 N161E11-I231 HydrophobicContact CB-CG2 4.28Å; E11-I231 HydrophobicContact CG-CG2 4.47Å; V12-I231 WeakPolarHBondContact O-CA 3.31Å; K13-I231 HydrophobicContact CG-CD1 4.44Å; K13-I231 HydrophobicContact CG-CG1 4.1Å; K13-I231 HydrophobicContact CG-CG2 4.13Å; I160-I231 WeakPolarHBondContact CA-O 3.47Å; I160-I231 HydrophobicContact CB-CB 4.35Å; I160-I231 HydrophobicContact CB-CG2 4.21Å; I160-I231 WeakPolarHBondContact CB-O 3.47Å; I160-I231 HydrophobicContact CD1-CG2 4.19Å; I160-I231 PolarHBondContact N-O 3.12Å; N161-I231 HydrophobicContact CB-CB 4.13Å; N161-I231 HydrophobicContact CB-CD1 4.14Å; N161-I231 HydrophobicContact CB-CG1 4.2Å; N161-I231 PolarHBondContact N-O 3.28Å; N161-I231 VanDerWaalsContact N-O 3.16Å; N161-I231 PolarHBondContact O-N 3.29Å
232C91.3Very high82.3Confident9 Ų968.9 Ų68.96%0.06133%0.332CS..EExtended strand (participates in β ladder)trans-121.3146.2179.5-65.70000111.1E11 V12 I156 G158E11-C232 WeakPolarHBondContact CA-O 3.43Å; V12-C232 HydrophobicContact CG1-CB 3.74Å; V12-C232 PolarHBondContact N-O 3.29Å; V12-C232 PolarHBondContact O-N 2.88Å; I156-C232 HydrophobicContact CD1-CB 3.98Å; I156-C232 HydrophobicContact CG2-CB 3.95Å; G158-C232 CarbonylContact O-C 3.58Å; G158-C232 VanDerWaalsContact O-CA 3.32Å; G158-C232 WeakPolarHBondContact O-CA 3.34Å
233A91.1Very high82.2Confident23 Ų2365.9 Ų65.919%0.1933%0.325CS..EExtended strand (participates in β ladder)trans-78.5137.4171.400000110.4Q157 G158 I160Q157-A233 HydrophobicContact CB-CB 4.27Å; Q157-A233 PolarHBondContact N-O 2.82Å; G158-A233 PolarHBondContact O-N 3.22Å; I160-A233 HydrophobicContact CD1-CB 3.84Å; I160-A233 HydrophobicContact CG1-CB 4Å
234L88.4Confident81.9Confident25 Ų2561.2 Ų61.213%0.13131%0.312CS..EExtended strand (participates in β ladder)trans-96.1134.2171.5-63.7173.8000109.9G10 V12 A149 Q154 I156G10-L234 PolarHBondContact O-N 2.77Å; V12-L234 HydrophobicContact CB-CD1 4.31Å; V12-L234 HydrophobicContact CB-CD2 4.19Å; V12-L234 HydrophobicContact CB-CG 4.3Å; V12-L234 HydrophobicContact CG1-CD2 3.93Å; V12-L234 HydrophobicContact CG1-CG 4.34Å; A149-L234 HydrophobicContact CB-CD2 3.64Å; Q154-L234 HydrophobicContact CB-CB 4.39Å; Q154-L234 HydrophobicContact CB-CD2 4.11Å; I156-L234 HydrophobicContact CD1-CD2 3.91Å
235S82.7Confident81.6Confident23 Ų2364.4 Ų64.416%0.16133%0.329CS..EExtended strand (participates in β ladder)trans-71.7144.6169.452.90000110.7Q154 R155Q154-S235 PolarHBondContact OE1-O 2.92Å; R155-S235 WeakPolarHBondContact CA-OG 3.16Å; R155-S235 WeakPolarHBondContact CB-OG 3.26Å; R155-S235 PolarHBondContact N-OG 2.65Å; R155-S235 VanDerWaalsContact N-OG 3.15Å; R155-S235 PolarHBondContact O-N 3.04Å; R155-S235 PolarHBondContact O-OG 3.43Å
236N65.9Low80.9Confident127 Ų12762.1 Ų62.168%0.67933%0.326SS*.THydrogen-bonded Turntrans73.430.2174.7-52.9-23.3000116.5N238N236-N238 PolarHBondContact O-N 3.15Å; N236-N238 VanDerWaalsContact O-N 3.15Å
237F59.7Low80.1Confident111 Ų11166.9 Ų66.949%0.48735%0.352SS..  trans-74.57.8170.5-147.7-91.3000114.5A9 G10 N239A9-F237 HydrophobicContact CB-CD1 3.53Å; A9-F237 HydrophobicContact CB-CE1 3.18Å; A9-F237 HydrophobicContact CB-CZ 4.04Å; G10-F237 VanDerWaalsContact N-CD1 3.31Å; F237-N239 PolarHBondContact O-N 3.23Å
238N51.6Low79.1Confident158 Ų15868.6 Ų68.685%0.84536%0.364SS*.  trans-90.494171.3-71.1-9.2000109.2N236N236-N238 PolarHBondContact O-N 3.15Å; N236-N238 VanDerWaalsContact O-N 3.15Å
239N48.9Very low77.9Confident237 Ų23774.2 Ų74.2100%1.26739%0.394SS*.  trans-111.40153.9-97.5-0.3000108.5F237F237-N239 PolarHBondContact O-N 3.23Å

Retrieved 239 of 239 residues in 43.8 ms (Link to these results)

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