A0A087WQG5_MOUSE Loading...

Transmembrane protein 131

AlphaFold DB , UniProt , Accession A0A087WQG5, Species MOUSE (Mus musculus, Mouse), Gene Tmem131, Length 171 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
1Q80.9Confident87.5Confident157 Ų15770.5 Ų70.573%0.73435%0.351SS*.  0137.40-174.4176.14.400110.4N108Q1-N108 PolarHBondContact N-O 3.33Å; Q1-N108 PolarHBondContact O-N 3.01Å
2I87.5Confident87.9Confident12 Ų1270.5 Ų70.56%0.06235%0.345CS..EExtended strand (participates in β ladder)trans-113.8143.8174.9-134.2172.4000109.4Y13 I31 A32 E106 V107I2-Y13 HydrophobicContact CG2-CD1 3.74Å; I2-Y13 HydrophobicContact CG2-CD2 3.22Å; I2-Y13 HydrophobicContact CG2-CE1 3.73Å; I2-Y13 HydrophobicContact CG2-CE2 3.26Å; I2-Y13 HydrophobicContact CG2-CG 3.48Å; I2-Y13 VanDerWaalsContact CG2-CG 3.48Å; I2-Y13 PolarHBondContact O-OH 2.81Å; I2-I31 HydrophobicContact CD1-CD1 4.07Å; I2-I31 HydrophobicContact CD1-CG1 4.41Å; I2-A32 HydrophobicContact CD1-CB 3.76Å; I2-E106 CarbonylContact C-O 3.56Å; I2-E106 VanDerWaalsContact CA-O 3.31Å; I2-E106 WeakPolarHBondContact CA-O 3.45Å; I2-V107 HydrophobicContact CD1-CG2 3.77Å; I2-V107 HydrophobicContact CG1-CB 4.28Å; I2-V107 HydrophobicContact CG1-CG1 4.48Å; I2-V107 HydrophobicContact CG1-CG2 3.53Å
3R89.8Confident88.2Confident119 Ų11971.1 Ų71.145%0.44934%0.342SS..EExtended strand (participates in β ladder)trans-142.9150.617465.8174.7177.8-178.3-2111.8L5 F105 E106R3-L5 HydrophobicContact CG-CD2 4.25Å; R3-F105 WeakPolarHBondContact O-CA 3.45Å; R3-E106 HydrophobicContact CG-CB 3.87Å; R3-E106 IonicContact CZ-OE1 3.55Å; R3-E106 IonicContact CZ-OE2 3.16Å; R3-E106 PolarHBondContact N-O 3.1Å; R3-E106 VanDerWaalsContact NE-CD 3.28Å; R3-E106 IonicContact NE-OE1 3.36Å; R3-E106 PolarHBondContact NE-OE1 2.67Å; R3-E106 IonicContact NE-OE2 2.86Å; R3-E106 PolarHBondContact NE-OE2 3.36Å; R3-E106 VanDerWaalsContact NH2-CD 3.28Å; R3-E106 IonicContact NH2-OE1 3.1Å; R3-E106 PolarHBondContact NH2-OE1 2.86Å; R3-E106 VanDerWaalsContact NH2-OE1 3.1Å; R3-E106 IonicContact NH2-OE2 2.67Å; R3-E106 PolarHBondContact NH2-OE2 3.27Å; R3-E106 PolarHBondContact O-N 3.42Å
4S90.4Very high88.4Confident44 Ų4474.1 Ų74.131%0.30835%0.353SS..EExtended strand (participates in β ladder)trans-79.9137.4166.9-173.60000109.3S6S4-S6 PolarHBondContact OG-N 3.44Å; S4-S6 PolarHBondContact OG-O 3.13Å; S4-S6 VanDerWaalsContact OG-O 3.11Å
5L90.2Very high88.2Confident80 Ų8078.6 Ų78.642%0.41937%0.365SS..  trans-104.2-2.1170.4-61.7-176.6000112.2R3 M104 E106 V116R3-L5 HydrophobicContact CG-CD2 4.25Å; L5-M104 HydrophobicContact CB-CB 4Å; L5-M104 WeakPolarHBondContact CB-O 3.24Å; L5-M104 PolarHBondContact N-O 3.47Å; L5-E106 HydrophobicContact CD1-CB 3.89Å; L5-E106 HydrophobicContact CD2-CB 4.23Å; L5-E106 HydrophobicContact CG-CB 3.96Å; L5-V116 HydrophobicContact CD1-CG2 4.31Å
6S86.7Confident87.8Confident33 Ų3377 Ų7723%0.23136%0.359CS..SBendtrans-106.6144179.5-67.40000111.3S4 D8 A103 M104S4-S6 PolarHBondContact OG-N 3.44Å; S4-S6 PolarHBondContact OG-O 3.13Å; S4-S6 VanDerWaalsContact OG-O 3.11Å; S6-D8 VanDerWaalsContact C-N 3.3Å; S6-A103 VanDerWaalsContact OG-CA 3.29Å; S6-A103 WeakPolarHBondContact OG-CA 3.43Å; S6-M104 PolarHBondContact OG-N 3.18Å
7E86.2Confident86.7Confident189 Ų18987.5 Ų87.588%0.88340%0.395SS*.  trans-78-14.5179.8-61.7-178.6170.600113.2V9E7-V9 PolarHBondContact O-N 3.25Å
8D86.1Confident85.5Confident29 Ų2987.2 Ų87.216%0.15542%0.419CS..  trans-69.9100.8178.9-169.4-16.9000110.8S6 R10 F11S6-D8 VanDerWaalsContact C-N 3.3Å; D8-R10 PolarHBondContact O-N 3.13Å; D8-R10 VanDerWaalsContact O-N 3.13Å; D8-R10 WeakPolarHBondContact OD1-CB 3.46Å; D8-R10 VanDerWaalsContact OD1-CG 3.31Å; D8-R10 WeakPolarHBondContact OD1-CG 3.31Å; D8-R10 IonicContact OD1-CZ 3.8Å; D8-R10 PolarHBondContact OD1-N 3.05Å; D8-R10 IonicContact OD1-NE 2.92Å; D8-R10 PolarHBondContact OD1-NE 3.26Å; D8-R10 IonicContact OD1-NH2 3.78Å; D8-R10 IonicContact OD2-CZ 3.38Å; D8-R10 IonicContact OD2-NE 3.22Å; D8-R10 PolarHBondContact OD2-NE 3.26Å; D8-R10 IonicContact OD2-NH2 2.72Å; D8-R10 PolarHBondContact OD2-NH2 2.87Å; D8-F11 HydrophobicContact CB-CD2 4.09Å; D8-F11 PolarHBondContact O-N 3.35Å
9V86.9Confident84.1Confident85 Ų8587.3 Ų87.352%0.51542%0.423SS..THydrogen-bonded Turntrans-63.3-15.9-178.2-59.30000113.6E7 F11 L40 Q41E7-V9 PolarHBondContact O-N 3.25Å; V9-F11 PolarHBondContact O-N 3.46Å; V9-L40 WeakPolarHBondContact O-CD1 2.83Å; V9-Q41 HydrophobicContact CG2-CG 3.69Å
10R86.4Confident82.8Confident22 Ų2293.8 Ų93.88%0.08344%0.443CS..THydrogen-bonded Turntrans-65.4-26.1174.3-61.6178.7-71.2-175.60.1111.6D8 F36 D37 L40 Q41 L101D8-R10 PolarHBondContact O-N 3.13Å; D8-R10 VanDerWaalsContact O-N 3.13Å; D8-R10 WeakPolarHBondContact OD1-CB 3.46Å; D8-R10 VanDerWaalsContact OD1-CG 3.31Å; D8-R10 WeakPolarHBondContact OD1-CG 3.31Å; D8-R10 IonicContact OD1-CZ 3.8Å; D8-R10 PolarHBondContact OD1-N 3.05Å; D8-R10 IonicContact OD1-NE 2.92Å; D8-R10 PolarHBondContact OD1-NE 3.26Å; D8-R10 IonicContact OD1-NH2 3.78Å; D8-R10 IonicContact OD2-CZ 3.38Å; D8-R10 IonicContact OD2-NE 3.22Å; D8-R10 PolarHBondContact OD2-NE 3.26Å; D8-R10 IonicContact OD2-NH2 2.72Å; D8-R10 PolarHBondContact OD2-NH2 2.87Å; R10-F36 HydrophobicContact CB-CD2 3.84Å; R10-F36 HydrophobicContact CB-CE2 3.53Å; R10-F36 HydrophobicContact CB-CZ 4.43Å; R10-F36 HydrophobicContact CG-CE2 4.39Å; R10-F36 CarbonylContact O-C 3.54Å; R10-F36 VanDerWaalsContact O-CA 3.31Å; R10-F36 WeakPolarHBondContact O-CA 3.22Å; R10-D37 WeakPolarHBondContact CB-O 3.11Å; R10-D37 VanDerWaalsContact CG-O 3.22Å; R10-D37 WeakPolarHBondContact CG-O 3.31Å; R10-D37 PolarHBondContact O-N 3.09Å; R10-L40 HydrophobicContact CG-CB 4.21Å; R10-Q41 HydrophobicContact CG-CB 4.1Å; R10-Q41 HydrophobicContact CG-CG 4.2Å; R10-L101 VanDerWaalsContact CZ-CD1 3.45Å; R10-L101 VanDerWaalsContact NH2-CD1 3.29Å; R10-L101 VanDerWaalsContact NH2-CD2 3.29Å
11F91.9Very high81.9Confident6 Ų698 Ų983%0.02646%0.462CS..EExtended strand (participates in β ladder)trans-91.7116.1172.3-69.8-87.6000110.6D8 V9 Y35 F36 L101 A103 F105 V119 A121D8-F11 HydrophobicContact CB-CD2 4.09Å; D8-F11 PolarHBondContact O-N 3.35Å; V9-F11 PolarHBondContact O-N 3.46Å; F11-Y35 WeakPolarHBondContact CA-O 3.23Å; F11-F36 HydrophobicContact CD1-CB 4.1Å; F11-F36 AromaticContact CD1-CD2 3.96Å; F11-F36 HydrophobicContact CD1-CD2 3.96Å; F11-F36 HydrophobicContact CD1-CG 4.47Å; F11-F36 AromaticContact CD2-CD2 3.8Å; F11-F36 HydrophobicContact CD2-CD2 3.8Å; F11-F36 HydrophobicContact CD2-CE2 4.21Å; F11-F36 HydrophobicContact CE1-CB 3.95Å; F11-F36 AromaticContact CE1-CD2 3.69Å; F11-F36 HydrophobicContact CE1-CD2 3.69Å; F11-F36 HydrophobicContact CE1-CG 4.09Å; F11-F36 AromaticContact CE2-CD2 3.53Å; F11-F36 HydrophobicContact CE2-CD2 3.53Å; F11-F36 AromaticContact CE2-CE2 3.74Å; F11-F36 HydrophobicContact CE2-CE2 3.74Å; F11-F36 HydrophobicContact CG-CD2 4.03Å; F11-F36 AromaticContact CZ-CD2 3.48Å; F11-F36 HydrophobicContact CZ-CD2 3.48Å; F11-F36 VanDerWaalsContact CZ-CD2 3.48Å; F11-F36 AromaticContact CZ-CE2 3.96Å; F11-F36 HydrophobicContact CZ-CE2 3.96Å; F11-F36 HydrophobicContact CZ-CG 4.18Å; F11-L101 HydrophobicContact CE2-CB 3.84Å; F11-L101 HydrophobicContact CZ-CB 3.96Å; F11-A103 HydrophobicContact CB-CB 3.6Å; F11-A103 HydrophobicContact CD1-CB 3.68Å; F11-A103 HydrophobicContact CD2-CB 3.54Å; F11-A103 HydrophobicContact CE1-CB 4.16Å; F11-A103 HydrophobicContact CE2-CB 4.03Å; F11-A103 HydrophobicContact CG-CB 3.32Å; F11-A103 HydrophobicContact CZ-CB 4.31Å; F11-F105 HydrophobicContact CB-CE2 4.19Å; F11-F105 HydrophobicContact CB-CZ 3.93Å; F11-V119 HydrophobicContact CD1-CG1 4.36Å; F11-V119 HydrophobicContact CE1-CG1 4.1Å; F11-A121 HydrophobicContact CE1-CB 3.95Å; F11-A121 HydrophobicContact CZ-CB 3.64Å
12Y91.6Very high81.5Confident70 Ų7096.6 Ų96.628%0.27546%0.46SS..EExtended strand (participates in β ladder)trans-138.4160.2177.365-93000111.8K14 Y35 D37 L40Y12-K14 HydrophobicContact CD2-CG 4.36Å; Y12-K14 HydrophobicContact CE2-CD 4.33Å; Y12-K14 HydrophobicContact CE2-CG 4.25Å; Y12-Y35 HydrophobicContact CD2-CD2 4.06Å; Y12-Y35 HydrophobicContact CD2-CG 4.45Å; Y12-Y35 AromaticContact CE2-CD2 3.59Å; Y12-Y35 HydrophobicContact CE2-CD2 3.59Å; Y12-Y35 AromaticContact CE2-CG 3.76Å; Y12-Y35 HydrophobicContact CE2-CG 3.76Å; Y12-Y35 PolarHBondContact N-O 2.79Å; Y12-Y35 PolarHBondContact O-N 2.89Å; Y12-D37 HydrophobicContact CE1-CB 3.74Å; Y12-L40 HydrophobicContact CD1-CD1 3.88Å; Y12-L40 HydrophobicContact CE1-CD1 3.92Å
13Y91.7Very high81Confident78 Ų78100 Ų10031%0.30648%0.478SS..EExtended strand (participates in β ladder)trans-115.5146.2176.970.4-94.9000111.2I2 R15 N33 F105I2-Y13 HydrophobicContact CG2-CD1 3.74Å; I2-Y13 HydrophobicContact CG2-CD2 3.22Å; I2-Y13 HydrophobicContact CG2-CE1 3.73Å; I2-Y13 HydrophobicContact CG2-CE2 3.26Å; I2-Y13 HydrophobicContact CG2-CG 3.48Å; I2-Y13 VanDerWaalsContact CG2-CG 3.48Å; I2-Y13 PolarHBondContact O-OH 2.81Å; Y13-R15 HydrophobicContact CD2-CG 4.28Å; Y13-R15 HydrophobicContact CE2-CG 4.1Å; Y13-N33 CarbonylContact C-O 3.56Å; Y13-N33 VanDerWaalsContact CA-O 3.23Å; Y13-N33 WeakPolarHBondContact CA-O 3.29Å; Y13-F105 HydrophobicContact CD1-CD1 4.24Å; Y13-F105 HydrophobicContact CD1-CE1 4Å
14K91.1Very high80.6Confident114 Ų11499.1 Ų99.150%0.49648%0.478SS..EExtended strand (participates in β ladder)trans-117.6127.4165-62.8178.3171.4163.60109.1Y12 A32 N33 Y35Y12-K14 HydrophobicContact CD2-CG 4.36Å; Y12-K14 HydrophobicContact CE2-CD 4.33Å; Y12-K14 HydrophobicContact CE2-CG 4.25Å; K14-A32 WeakPolarHBondContact O-CA 3.46Å; K14-N33 PolarHBondContact N-O 3.28Å; K14-N33 PolarHBondContact O-N 2.67Å; K14-Y35 HydrophobicContact CB-CE2 3.91Å; K14-Y35 HydrophobicContact CD-CD2 4.39Å; K14-Y35 HydrophobicContact CD-CE2 3.87Å; K14-Y35 HydrophobicContact CG-CD2 4.24Å; K14-Y35 HydrophobicContact CG-CE2 3.9Å
15R85.1Confident80.1Confident141 Ų141103.3 Ų103.353%0.53251%0.505SS..EExtended strand (participates in β ladder)trans-71.1145.7173.2-66.2-172.3-176.2-178.96.2109.7Y13Y13-R15 HydrophobicContact CD2-CG 4.28Å; Y13-R15 HydrophobicContact CE2-CG 4.1Å
16L82.2Confident79.7Confident53 Ų53104 Ų10428%0.27753%0.531SS..PPolyproline II helixtrans-74.5131.6174-64.1171.8000109.5N19 K30L16-N19 WeakPolarHBondContact CD1-ND2 3.45Å; L16-K30 HydrophobicContact CD1-CB 3.9Å; L16-K30 HydrophobicContact CD1-CD 3.86Å; L16-K30 HydrophobicContact CD1-CG 3.69Å; L16-K30 WeakPolarHBondContact CD1-O 3.17Å
17R69.3Low79.7Confident256 Ų256109 Ų10997%0.96655%0.549SS*.THydrogen-bonded Turntrans-76.8124173.3-69.7-175.5178.2-174.5-1.1108.5
18G64.4Low79.5Confident81 Ų81110.4 Ų110.484%0.83555%0.552SS**THydrogen-bonded Turntrans93.98.8168.500000117.4
19N59.1Low79.3Confident90 Ų90111.9 Ų111.948%0.48157%0.565SS.*  trans-72.1136.5167.8-88.9-13.1000110.4L16 E21 K30L16-N19 WeakPolarHBondContact CD1-ND2 3.45Å; N19-E21 PolarHBondContact O-N 2.72Å; N19-K30 PolarHBondContact ND2-O 3.45Å
20R58.5Low79.3Confident217 Ų217113.9 Ų113.982%0.81957%0.566SS**  trans-53.8129.5159.9-73.2-177.8171.6178.5-3.8106.9D22R20-D22 PolarHBondContact O-N 3.22Å; R20-D22 VanDerWaalsContact O-N 3.1Å
21E64.6Low79.2Confident183 Ų183116.5 Ų116.586%0.85558%0.581SS**SBendtrans-67-8.5-178.7-62.3-165.4145.100112.3N19N19-E21 PolarHBondContact O-N 2.72Å
22D71.6Confident79Confident127 Ų127117 Ų11768%0.67959%0.587SS**PPolyproline II helixtrans-83.4122.5-176.5-50.8-39.3000111.7R20R20-D22 PolarHBondContact O-N 3.22Å; R20-D22 VanDerWaalsContact O-N 3.1Å
23L77.3Confident79Confident84 Ų84115.6 Ų115.644%0.4458%0.584SS.*PPolyproline II helixtrans-89.7121.5172.2-64.5172000109.2I31 T109L23-I31 HydrophobicContact CD2-CG2 3.9Å; L23-T109 HydrophobicContact CD1-CG2 3.43Å; L23-T109 VanDerWaalsContact CD1-CG2 3.43Å
24E80.5Confident79Confident100 Ų100115 Ų11547%0.46759%0.586SS.*PPolyproline II helixtrans-84.8132.4175.4-70.5-172.7-174.300111.6G26 K27E24-G26 PolarHBondContact O-N 2.92Å; E24-K27 HydrophobicContact CB-CB 4.25Å; E24-K27 HydrophobicContact CB-CD 4.21Å; E24-K27 HydrophobicContact CB-CG 4.37Å; E24-K27 PolarHBondContact O-N 3.26Å; E24-K27 WeakPolarHBondContact OE2-CD 3.45Å; E24-K27 WeakPolarHBondContact OE2-CE 3.37Å; E24-K27 IonicContact OE2-NZ 2.65Å; E24-K27 PolarHBondContact OE2-NZ 3.11Å
25P81.1Confident79Confident132 Ų132113.7 Ų113.786%0.85758%0.578SS**THydrogen-bonded Turntrans-55.6134.3174.8-25.233.9000112.1K27P25-K27 PolarHBondContact O-N 2.87Å
26G82.6Confident79.1Confident95 Ų95109.6 Ų109.698%0.97956%0.564SS**THydrogen-bonded Turntrans76.6-1.3178.200000115.5E24E24-G26 PolarHBondContact O-N 2.92Å
27K84.8Confident79.3Confident137 Ų137109.7 Ų109.760%0.59657%0.565SS**SBendtrans-108.2137.2176.3-66.7-167.1-172.3165.60112.5E24 P25 S29E24-K27 HydrophobicContact CB-CB 4.25Å; E24-K27 HydrophobicContact CB-CD 4.21Å; E24-K27 HydrophobicContact CB-CG 4.37Å; E24-K27 PolarHBondContact O-N 3.26Å; E24-K27 WeakPolarHBondContact OE2-CD 3.45Å; E24-K27 WeakPolarHBondContact OE2-CE 3.37Å; E24-K27 IonicContact OE2-NZ 2.65Å; E24-K27 PolarHBondContact OE2-NZ 3.11Å; P25-K27 PolarHBondContact O-N 2.87Å; K27-S29 PolarHBondContact O-N 2.8Å
28K82.9Confident79.7Confident218 Ų218100.3 Ų100.395%0.94854%0.537SS*.  trans-74.3116.2171.9-69.4-176.5-1801790109.1
29S82.8Confident80.2Confident61 Ų6198 Ų9843%0.42751%0.514SS..  trans-114129.4176.3-62.50000109.8K27K27-S29 PolarHBondContact O-N 2.8Å
30K85.6Confident81.1Confident126 Ų12698 Ų9855%0.54851%0.513SS..  trans-83.3122.6174.3-165.1-178.2174.7176.20108.1L16 N19 N33L16-K30 HydrophobicContact CD1-CB 3.9Å; L16-K30 HydrophobicContact CD1-CD 3.86Å; L16-K30 HydrophobicContact CD1-CG 3.69Å; L16-K30 WeakPolarHBondContact CD1-O 3.17Å; N19-K30 PolarHBondContact ND2-O 3.45Å; K30-N33 WeakPolarHBondContact CE-OD1 3.25Å; K30-N33 PolarHBondContact NZ-OD1 2.76Å
31I84.3Confident81.7Confident77 Ų7793.1 Ų93.140%0.39550%0.499SS..  trans-109.1-27.5-17457.2173.1000113.6I2 L23 V107I2-I31 HydrophobicContact CD1-CD1 4.07Å; I2-I31 HydrophobicContact CD1-CG1 4.41Å; L23-I31 HydrophobicContact CD2-CG2 3.9Å; I31-V107 HydrophobicContact CD1-CB 4.4Å; I31-V107 HydrophobicContact CD1-CG1 3.46Å; I31-V107 VanDerWaalsContact CD1-CG1 3.46Å; I31-V107 HydrophobicContact CD1-CG2 4.04Å
32A87.8Confident81.7Confident18 Ų1886 Ų8615%0.14947%0.469CS..EExtended strand (participates in β ladder)trans-159.2162.7179.500000109.9I2 K14I2-A32 HydrophobicContact CD1-CB 3.76Å; K14-A32 WeakPolarHBondContact O-CA 3.46Å
33N91.2Very high81.5Confident40 Ų4082.8 Ų82.821%0.21447%0.467CS..EExtended strand (participates in β ladder)trans-102.1138.6161.6-66.3-36.2000108.5Y13 K14 K30 Y35Y13-N33 CarbonylContact C-O 3.56Å; Y13-N33 VanDerWaalsContact CA-O 3.23Å; Y13-N33 WeakPolarHBondContact CA-O 3.29Å; K14-N33 PolarHBondContact N-O 3.28Å; K14-N33 PolarHBondContact O-N 2.67Å; K30-N33 WeakPolarHBondContact CE-OD1 3.25Å; K30-N33 PolarHBondContact NZ-OD1 2.76Å; N33-Y35 HydrophobicContact CB-CD2 4.2Å; N33-Y35 HydrophobicContact CB-CE1 4.48Å; N33-Y35 HydrophobicContact CB-CE2 3.31Å; N33-Y35 VanDerWaalsContact CB-CZ 3.49Å; N33-Y35 WeakPolarHBondContact CB-OH 3.44Å; N33-Y35 PolarHBondContact ND2-OH 2.74Å
34I91.7Very high80.6Confident66 Ų6686.6 Ų86.634%0.33849%0.488SS..EExtended strand (participates in β ladder)trans-104.3135.7170.1-59174000107.1F105 V119I34-F105 HydrophobicContact CD1-CB 4.38Å; I34-F105 HydrophobicContact CD1-CD2 3.85Å; I34-F105 HydrophobicContact CD1-CE2 4.27Å; I34-F105 HydrophobicContact CD1-CG 4.01Å; I34-F105 HydrophobicContact CG2-CD2 4.24Å; I34-F105 HydrophobicContact CG2-CE2 3.56Å; I34-F105 HydrophobicContact CG2-CZ 3.74Å; I34-V119 HydrophobicContact CD1-CG2 3.7Å; I34-V119 HydrophobicContact CG2-CG1 4.22Å; I34-V119 HydrophobicContact CG2-CG2 4.24Å
35Y91.6Very high79.4Confident86 Ų8689.5 Ų89.534%0.33750%0.501SS..EExtended strand (participates in β ladder)trans-124.1150.7-179.6-61.5-86.4000109.7F11 Y12 K14 N33F11-Y35 WeakPolarHBondContact CA-O 3.23Å; Y12-Y35 HydrophobicContact CD2-CD2 4.06Å; Y12-Y35 HydrophobicContact CD2-CG 4.45Å; Y12-Y35 AromaticContact CE2-CD2 3.59Å; Y12-Y35 HydrophobicContact CE2-CD2 3.59Å; Y12-Y35 AromaticContact CE2-CG 3.76Å; Y12-Y35 HydrophobicContact CE2-CG 3.76Å; Y12-Y35 PolarHBondContact N-O 2.79Å; Y12-Y35 PolarHBondContact O-N 2.89Å; K14-Y35 HydrophobicContact CB-CE2 3.91Å; K14-Y35 HydrophobicContact CD-CD2 4.39Å; K14-Y35 HydrophobicContact CD-CE2 3.87Å; K14-Y35 HydrophobicContact CG-CD2 4.24Å; K14-Y35 HydrophobicContact CG-CE2 3.9Å; N33-Y35 HydrophobicContact CB-CD2 4.2Å; N33-Y35 HydrophobicContact CB-CE1 4.48Å; N33-Y35 HydrophobicContact CB-CE2 3.31Å; N33-Y35 VanDerWaalsContact CB-CZ 3.49Å; N33-Y35 WeakPolarHBondContact CB-OH 3.44Å; N33-Y35 PolarHBondContact ND2-OH 2.74Å
36F88.2Confident78.2Confident54 Ų5485.5 Ų85.524%0.23748%0.475CS..EExtended strand (participates in β ladder)trans-122.1121.9166.8173.6-105.9000107.7R10 F11 P38 L101 A121 L123R10-F36 HydrophobicContact CB-CD2 3.84Å; R10-F36 HydrophobicContact CB-CE2 3.53Å; R10-F36 HydrophobicContact CB-CZ 4.43Å; R10-F36 HydrophobicContact CG-CE2 4.39Å; R10-F36 CarbonylContact O-C 3.54Å; R10-F36 VanDerWaalsContact O-CA 3.31Å; R10-F36 WeakPolarHBondContact O-CA 3.22Å; F11-F36 HydrophobicContact CD1-CB 4.1Å; F11-F36 AromaticContact CD1-CD2 3.96Å; F11-F36 HydrophobicContact CD1-CD2 3.96Å; F11-F36 HydrophobicContact CD1-CG 4.47Å; F11-F36 AromaticContact CD2-CD2 3.8Å; F11-F36 HydrophobicContact CD2-CD2 3.8Å; F11-F36 HydrophobicContact CD2-CE2 4.21Å; F11-F36 HydrophobicContact CE1-CB 3.95Å; F11-F36 AromaticContact CE1-CD2 3.69Å; F11-F36 HydrophobicContact CE1-CD2 3.69Å; F11-F36 HydrophobicContact CE1-CG 4.09Å; F11-F36 AromaticContact CE2-CD2 3.53Å; F11-F36 HydrophobicContact CE2-CD2 3.53Å; F11-F36 AromaticContact CE2-CE2 3.74Å; F11-F36 HydrophobicContact CE2-CE2 3.74Å; F11-F36 HydrophobicContact CG-CD2 4.03Å; F11-F36 AromaticContact CZ-CD2 3.48Å; F11-F36 HydrophobicContact CZ-CD2 3.48Å; F11-F36 VanDerWaalsContact CZ-CD2 3.48Å; F11-F36 AromaticContact CZ-CE2 3.96Å; F11-F36 HydrophobicContact CZ-CE2 3.96Å; F11-F36 HydrophobicContact CZ-CG 4.18Å; F36-P38 HydrophobicContact CE1-CB 3.96Å; F36-P38 HydrophobicContact CE1-CG 4.34Å; F36-P38 HydrophobicContact CZ-CB 4.2Å; F36-L101 HydrophobicContact CE1-CD1 4.39Å; F36-L101 HydrophobicContact CE2-CD1 3.61Å; F36-L101 HydrophobicContact CZ-CD1 3.35Å; F36-A121 HydrophobicContact CB-CB 4.1Å; F36-A121 HydrophobicContact CD1-CB 3.49Å; F36-A121 VanDerWaalsContact CD1-CB 3.49Å; F36-A121 HydrophobicContact CD2-CB 3.9Å; F36-A121 HydrophobicContact CE1-CB 3.83Å; F36-A121 HydrophobicContact CE2-CB 4.21Å; F36-A121 HydrophobicContact CG-CB 3.53Å; F36-A121 HydrophobicContact CZ-CB 4.18Å; F36-L123 HydrophobicContact CE1-CD2 3.92Å; F36-L123 HydrophobicContact CZ-CD2 4.34Å
37D85.1Confident77.1Confident55 Ų5587.2 Ų87.229%0.29445%0.453SS..  trans-117.9102.4177.6-177.1-11.2000109R10 Y12 G39 L40R10-D37 WeakPolarHBondContact CB-O 3.11Å; R10-D37 VanDerWaalsContact CG-O 3.22Å; R10-D37 WeakPolarHBondContact CG-O 3.31Å; R10-D37 PolarHBondContact O-N 3.09Å; Y12-D37 HydrophobicContact CE1-CB 3.74Å; D37-G39 PolarHBondContact O-N 2.86Å; D37-G39 VanDerWaalsContact O-N 3.16Å; D37-G39 VanDerWaalsContact OD1-CA 3.25Å; D37-G39 WeakPolarHBondContact OD1-CA 2.99Å; D37-G39 PolarHBondContact OD1-N 3.41Å; D37-L40 HydrophobicContact CB-CD1 3.89Å; D37-L40 HydrophobicContact CB-CG 3.95Å; D37-L40 PolarHBondContact O-N 2.96Å
38P77.3Confident76Confident60 Ų6082.3 Ų82.339%0.3943%0.433SS..G310 helixtrans-60.2-25.6178.825.9-32.7000111.8F36 L40 C42 L123F36-P38 HydrophobicContact CE1-CB 3.96Å; F36-P38 HydrophobicContact CE1-CG 4.34Å; F36-P38 HydrophobicContact CZ-CB 4.2Å; P38-L40 VanDerWaalsContact C-N 3.32Å; P38-L40 PolarHBondContact O-N 3.19Å; P38-C42 PolarHBondContact O-SG 3.17Å; P38-L123 HydrophobicContact CB-CD2 4.5Å
39G75Confident74.8Confident33 Ų3372.7 Ų72.734%0.3440%0.396SS..G310 helixtrans-62.2-25.4-178.800000115.7D37 Q41 C42 C46D37-G39 PolarHBondContact O-N 2.86Å; D37-G39 VanDerWaalsContact O-N 3.16Å; D37-G39 VanDerWaalsContact OD1-CA 3.25Å; D37-G39 WeakPolarHBondContact OD1-CA 2.99Å; D37-G39 PolarHBondContact OD1-N 3.41Å; G39-Q41 VanDerWaalsContact C-N 3.31Å; G39-Q41 PolarHBondContact O-N 3.11Å; G39-C42 WeakPolarHBondContact CA-SG 3.17Å; G39-C42 PolarHBondContact O-SG 3.05Å; G39-C46 PolarHBondContact O-SG 2.91Å
40L78.4Confident73.7Confident90 Ų9075.2 Ų75.247%0.47140%0.404SS..G310 helixtrans-73.4-14.9-169.9-71.3174.8000115.2V9 R10 Y12 D37 P38V9-L40 WeakPolarHBondContact O-CD1 2.83Å; R10-L40 HydrophobicContact CG-CB 4.21Å; Y12-L40 HydrophobicContact CD1-CD1 3.88Å; Y12-L40 HydrophobicContact CE1-CD1 3.92Å; D37-L40 HydrophobicContact CB-CD1 3.89Å; D37-L40 HydrophobicContact CB-CG 3.95Å; D37-L40 PolarHBondContact O-N 2.96Å; P38-L40 VanDerWaalsContact C-N 3.32Å; P38-L40 PolarHBondContact O-N 3.19Å
41Q71.1Confident72.4Confident113 Ų11373 Ų7353%0.52840%0.403SS..G310 helixtrans-125.44.3-176.3-90.2-169.7-14.600115.3V9 R10 G39V9-Q41 HydrophobicContact CG2-CG 3.69Å; R10-Q41 HydrophobicContact CG-CB 4.1Å; R10-Q41 HydrophobicContact CG-CG 4.2Å; G39-Q41 VanDerWaalsContact C-N 3.31Å; G39-Q41 PolarHBondContact O-N 3.11Å
42C65.9Low70.8Confident33 Ų3374.3 Ų74.322%0.22341%0.406CS..  trans-107.1-3.2-168.241.20000114.2P38 G39 D44 H45 C46P38-C42 PolarHBondContact O-SG 3.17Å; G39-C42 WeakPolarHBondContact CA-SG 3.17Å; G39-C42 PolarHBondContact O-SG 3.05Å; C42-D44 PolarHBondContact O-N 2.83Å; C42-H45 WeakPolarHBondContact O-CA 3.2Å; C42-H45 WeakPolarHBondContact O-CB 3.39Å; C42-H45 PolarHBondContact O-N 2.91Å; C42-C46 WeakPolarHBondContact CA-SG 3.28Å; C42-C46 HydrophobicContact CB-CB 3.75Å; C42-C46 WeakPolarHBondContact CB-SG 3.41Å; C42-C46 WeakPolarHBondContact SG-CA 3.31Å; C42-C46 WeakPolarHBondContact SG-CB 3.47Å; C42-C46 CovalentContact SG-SG 1.98Å; C42-C46 PolarHBondContact SG-SG 2.95Å
43G65.9Low69.1Low61 Ų6180.3 Ų80.363%0.62943%0.434SS*.G310 helixtrans55.3-124.5176.900000112H45 C46G43-H45 VanDerWaalsContact C-N 3.26Å; G43-H45 PolarHBondContact O-N 3.39Å; G43-C46 PolarHBondContact N-SG 2.8Å; G43-C46 PolarHBondContact O-SG 3.31Å
44D58.2Low67.1Low164 Ų16480.3 Ų80.388%0.87744%0.438SS*.G310 helixtrans-82.1-0.3177.1-61.5-34.7000113.5C42C42-D44 PolarHBondContact O-N 2.83Å
45H55.8Low65Low160 Ų16087.6 Ų87.674%0.74147%0.467SS*.G310 helixtrans-109.317.1-175.7-55-57.7000113.2C42 G43 Y47C42-H45 WeakPolarHBondContact O-CA 3.2Å; C42-H45 WeakPolarHBondContact O-CB 3.39Å; C42-H45 PolarHBondContact O-N 2.91Å; G43-H45 VanDerWaalsContact C-N 3.26Å; G43-H45 PolarHBondContact O-N 3.39Å; H45-Y47 VanDerWaalsContact C-N 3.26Å; H45-Y47 PolarHBondContact O-N 3.1Å
46C56.8Low62.9Low48 Ų4888.4 Ų88.432%0.32449%0.485SS..  trans-68.1-21.4-171.4-73.30000116.4G39 C42 G43G39-C46 PolarHBondContact O-SG 2.91Å; C42-C46 WeakPolarHBondContact CA-SG 3.28Å; C42-C46 HydrophobicContact CB-CB 3.75Å; C42-C46 WeakPolarHBondContact CB-SG 3.41Å; C42-C46 WeakPolarHBondContact SG-CA 3.31Å; C42-C46 WeakPolarHBondContact SG-CB 3.47Å; C42-C46 CovalentContact SG-SG 1.98Å; C42-C46 PolarHBondContact SG-SG 2.95Å; G43-C46 PolarHBondContact N-SG 2.8Å; G43-C46 PolarHBondContact O-SG 3.31Å
47Y58.4Low60.9Low132 Ų13291.1 Ų91.152%0.51850%0.499SS..  trans-124.3111.5-176-161.6-110.5000108.4H45 G49H45-Y47 VanDerWaalsContact C-N 3.26Å; H45-Y47 PolarHBondContact O-N 3.1Å; Y47-G49 VanDerWaalsContact CD1-CA 3.41Å; Y47-G49 WeakPolarHBondContact CD1-O 3.31Å; Y47-G49 VanDerWaalsContact CE1-CA 3.42Å; Y47-G49 PolarHBondContact O-N 3.29Å
48I61.4Low59Low34 Ų3493.8 Ų93.817%0.17452%0.519CS..SBendtrans-81.671.2166.5-58172.5000106.4L81 W85 I88 W125I48-L81 HydrophobicContact CB-CD2 4.43Å; I48-L81 HydrophobicContact CG2-CB 3.63Å; I48-L81 HydrophobicContact CG2-CD2 3.84Å; I48-L81 HydrophobicContact CG2-CG 4.28Å; I48-L81 VanDerWaalsContact CG2-O 3.22Å; I48-L81 WeakPolarHBondContact CG2-O 2.8Å; I48-W85 HydrophobicContact CD1-CB 4.04Å; I48-W85 HydrophobicContact CD1-CE3 4.34Å; I48-W85 HydrophobicContact CG2-CB 4.47Å; I48-I88 HydrophobicContact CD1-CD1 3.53Å; I48-W125 HydrophobicContact CG2-CE3 4.4Å; I48-W125 HydrophobicContact CG2-CH2 4.12Å; I48-W125 HydrophobicContact CG2-CZ3 3.51Å
49G58.8Low57.5Low16 Ų16100.7 Ų100.717%0.16554%0.543CS..SBendtrans-169.3159.5178.400000109.9Y47 P51Y47-G49 VanDerWaalsContact CD1-CA 3.41Å; Y47-G49 WeakPolarHBondContact CD1-O 3.31Å; Y47-G49 VanDerWaalsContact CE1-CA 3.42Å; Y47-G49 PolarHBondContact O-N 3.29Å; G49-P51 VanDerWaalsContact O-CD 3.31Å; G49-P51 WeakPolarHBondContact O-CD 3.45Å
50L59.6Low56.2Low113 Ų113104 Ų10459%0.59256%0.556SS**  trans-81.4117.1-177.7-70.7160.5000109.4F52 A77 L81L50-F52 PolarHBondContact O-N 1.98Å; L50-A77 HydrophobicContact CD1-CB 3.82Å; L50-A77 HydrophobicContact CD2-CB 3.72Å; L50-A77 HydrophobicContact CG-CB 4.19Å; L50-L81 HydrophobicContact CG-CD1 4.09Å
51P58.1Low54.7Low80 Ų80106.6 Ų106.652%0.51957%0.566SS.*  trans-67.8118172.826.2-30.3000109.1G49 L53 S54G49-P51 VanDerWaalsContact O-CD 3.31Å; G49-P51 WeakPolarHBondContact O-CD 3.45Å; P51-L53 PolarHBondContact O-N 2.96Å; P51-S54 PolarHBondContact O-N 3.35Å
52F51.5Low53.3Low105 Ų105106.4 Ų106.446%0.46158%0.575SS.*THydrogen-bonded Turntrans-55.5-19.7-179.2-176.5-108.6000114.6L50 P62 Y161L50-F52 PolarHBondContact O-N 1.98Å; F52-P62 HydrophobicContact CZ-CG 4.33Å; F52-Y161 HydrophobicContact CD1-CD2 4.15Å; F52-Y161 AromaticContact CD1-CE2 3.59Å; F52-Y161 HydrophobicContact CD1-CE2 3.59Å; F52-Y161 AromaticContact CD2-CD2 3.63Å; F52-Y161 HydrophobicContact CD2-CD2 3.63Å; F52-Y161 AromaticContact CD2-CE2 3.93Å; F52-Y161 HydrophobicContact CD2-CE2 3.93Å; F52-Y161 HydrophobicContact CD2-CG 4.27Å; F52-Y161 HydrophobicContact CE1-CD2 4.23Å; F52-Y161 AromaticContact CE1-CE2 3.54Å; F52-Y161 HydrophobicContact CE1-CE2 3.54Å; F52-Y161 AromaticContact CE1-CZ 3.75Å; F52-Y161 HydrophobicContact CE2-CD1 4.43Å; F52-Y161 AromaticContact CE2-CD2 3.71Å; F52-Y161 HydrophobicContact CE2-CD2 3.71Å; F52-Y161 AromaticContact CE2-CE2 3.86Å; F52-Y161 HydrophobicContact CE2-CE2 3.86Å; F52-Y161 HydrophobicContact CE2-CG 4.02Å; F52-Y161 AromaticContact CG-CD2 3.87Å; F52-Y161 HydrophobicContact CG-CD2 3.87Å; F52-Y161 AromaticContact CG-CE2 3.8Å; F52-Y161 HydrophobicContact CG-CE2 3.8Å; F52-Y161 HydrophobicContact CZ-CD1 4.49Å; F52-Y161 HydrophobicContact CZ-CD2 4.02Å; F52-Y161 HydrophobicContact CZ-CE1 4.18Å; F52-Y161 AromaticContact CZ-CE2 3.67Å; F52-Y161 HydrophobicContact CZ-CE2 3.67Å; F52-Y161 HydrophobicContact CZ-CG 4.42Å; F52-Y161 AromaticContact CZ-CZ 3.75Å
53L50.6Low52.4Low143 Ų143108.8 Ų108.875%0.74960%0.604SS**THydrogen-bonded Turntrans-128.954.1-179.3-61.9172.8000110.4P51 K55P51-L53 PolarHBondContact O-N 2.96Å; L53-K55 PolarHBondContact O-N 2.89Å
54S48.8Very low51.3Low41 Ų41110.1 Ų110.129%0.28760%0.6SS.*  trans-57.7122.6163.5179.90000108.6P51 S56 E57P51-S54 PolarHBondContact O-N 3.35Å; S54-S56 PolarHBondContact O-N 3.36Å; S54-S56 PolarHBondContact OG-N 3.06Å; S54-S56 PolarHBondContact OG-OG 3.07Å; S54-E57 PolarHBondContact O-N 3.16Å
55K48.2Very low51.1Low219 Ų219106.2 Ų106.295%0.95259%0.59SS**THydrogen-bonded Turntrans-60.9-10.8177.2-66.8-172.1-179.1179.70113L53L53-K55 PolarHBondContact O-N 2.89Å
56S46.8Very low51Low103 Ų103101 Ų10172%0.7257%0.567SS**THydrogen-bonded Turntrans-92.6-8.8177.366.40000114.1S54S54-S56 PolarHBondContact O-N 3.36Å; S54-S56 PolarHBondContact OG-N 3.06Å; S54-S56 PolarHBondContact OG-OG 3.07Å
57E46.3Very low51.1Low111 Ų111105.1 Ų105.152%0.51958%0.582SS.*SBendtrans-92.1132177.5-82.7-178.7150.200111.3S54 K59S54-E57 PolarHBondContact O-N 3.16Å; E57-K59 PolarHBondContact O-N 2.83Å
58P45.1Very low51Low110 Ų110107.6 Ų107.671%0.71460%0.598SS**  trans-59.6128.6169.425.9-29.7000107.1V60P58-V60 VanDerWaalsContact C-N 3.32Å; P58-V60 VanDerWaalsContact O-CG2 3.24Å; P58-V60 WeakPolarHBondContact O-CG2 3.18Å; P58-V60 PolarHBondContact O-N 2.88Å
59K47Very low50.9Low206 Ų206111.8 Ų111.890%0.89662%0.621SS**  trans-32.791.5178.4-72.9175.4176.4176.50111.5E57 Q61E57-K59 PolarHBondContact O-N 2.83Å; K59-Q61 PolarHBondContact O-N 2.79Å
60V47.1Very low51.3Low103 Ų103114.5 Ų114.562%0.62463%0.631SS**  trans-72.7107179-173.80000104.3P58 P62P58-V60 VanDerWaalsContact C-N 3.32Å; P58-V60 VanDerWaalsContact O-CG2 3.24Å; P58-V60 WeakPolarHBondContact O-CG2 3.18Å; P58-V60 PolarHBondContact O-N 2.88Å; V60-P62 VanDerWaalsContact O-CD 3.28Å; V60-P62 WeakPolarHBondContact O-CD 3.47Å
61Q46.9Very low52Low143 Ų143113.8 Ų113.867%0.66862%0.62SS**  trans-60.8120.2178.2-71.8-176.510.400107.5K59 G63 V64K59-Q61 PolarHBondContact O-N 2.79Å; Q61-G63 PolarHBondContact O-N 2.83Å; Q61-V64 HydrophobicContact CB-CG2 4.05Å
62P42.1Very low52.7Low110 Ų110113 Ų11371%0.71461%0.612SS**THydrogen-bonded Turntrans-62.5114.4174.9-14.727.9000107.8F52 V60F52-P62 HydrophobicContact CZ-CG 4.33Å; V60-P62 VanDerWaalsContact O-CD 3.28Å; V60-P62 WeakPolarHBondContact O-CD 3.47Å
63G47.3Very low53.9Low82 Ų82110.8 Ų110.885%0.84561%0.613SS**THydrogen-bonded Turntrans120.26.5174.800000117.1Q61Q61-G63 PolarHBondContact O-N 2.83Å
64V42.9Very low55Low89 Ų89107.2 Ų107.254%0.53959%0.594SS.*  trans-88.2128.6170.6-171.70000108.2Q61Q61-V64 HydrophobicContact CB-CG2 4.05Å
65A53.5Low56.4Low82 Ų82111.2 Ų111.268%0.67860%0.603SS**  trans-40.8143.7173.900000111.2Q67A65-Q67 PolarHBondContact O-N 3.02Å
66M54Low57.9Low52 Ų52105.2 Ų105.226%0.25658%0.582SS.*  trans-47.4106.5177-164.5168.29100108.4L70 W71 I165 L169 Y170M66-L70 HydrophobicContact CG-CB 4.25Å; M66-W71 HydrophobicContact CE-CB 4.36Å; M66-I165 HydrophobicContact SD-CD1 4.44Å; M66-I165 HydrophobicContact SD-CG2 3.91Å; M66-L169 HydrophobicContact CE-CB 3.78Å; M66-L169 WeakPolarHBondContact CE-O 3.34Å; M66-Y170 HydrophobicContact CE-CD2 4.27Å; M66-Y170 HydrophobicContact CE-CE2 4.2Å; M66-Y170 HydrophobicContact SD-CE1 4.49Å; M66-Y170 HydrophobicContact SD-CE2 3.99Å
67Q58.4Low59.5Low133 Ų133101.2 Ų101.262%0.62156%0.555SS**  trans-62.6146.4174.4-66.7-170.9-73.200107.9A65 D69 L70A65-Q67 PolarHBondContact O-N 3.02Å; Q67-D69 PolarHBondContact O-N 2.91Å; Q67-L70 HydrophobicContact CB-CD1 3.83Å; Q67-L70 HydrophobicContact CB-CG 4.07Å; Q67-L70 HydrophobicContact CG-CD1 4.36Å; Q67-L70 PolarHBondContact O-N 3.17Å
68E55.8Low61.1Low185 Ų18599.9 Ų99.986%0.86455%0.549SS*.THydrogen-bonded Turntrans-49.4138.1168.4-67.7178.5165.200108.4L70E68-L70 PolarHBondContact O-N 2.91Å
69D61Low63Low122 Ų12299.3 Ų99.365%0.65254%0.536SS*.THydrogen-bonded Turntrans78-3.4-178-43.4-32.7000118Q67 W71Q67-D69 PolarHBondContact O-N 2.91Å; D69-W71 VanDerWaalsContact C-N 3.27Å; D69-W71 PolarHBondContact O-N 3.39Å
70L67.1Low64.7Low72 Ų7293.3 Ų93.338%0.37752%0.52SS..Hα-helixtrans-70.1-23.4174-75.1176.9000113.6M66 Q67 E68 D72 A73 D74M66-L70 HydrophobicContact CG-CB 4.25Å; Q67-L70 HydrophobicContact CB-CD1 3.83Å; Q67-L70 HydrophobicContact CB-CG 4.07Å; Q67-L70 HydrophobicContact CG-CD1 4.36Å; Q67-L70 PolarHBondContact O-N 3.17Å; E68-L70 PolarHBondContact O-N 2.91Å; L70-D72 VanDerWaalsContact C-N 3.34Å; L70-D72 PolarHBondContact O-N 3.5Å; L70-A73 WeakPolarHBondContact O-CB 3.44Å; L70-A73 PolarHBondContact O-N 2.94Å; L70-D74 PolarHBondContact O-N 3.11Å
71W72.7Confident66.4Low98 Ų9890.1 Ų90.137%0.37150%0.5SS..Hα-helixtrans-67.7-34.3-178.677.5-88.6000112.8M66 D69 A73 D74 W75 Y170M66-W71 HydrophobicContact CE-CB 4.36Å; D69-W71 VanDerWaalsContact C-N 3.27Å; D69-W71 PolarHBondContact O-N 3.39Å; W71-A73 VanDerWaalsContact C-N 3.32Å; W71-D74 PolarHBondContact O-N 3.03Å; W71-W75 HydrophobicContact CE3-CB 4.49Å; W71-W75 VanDerWaalsContact O-CB 3.26Å; W71-W75 WeakPolarHBondContact O-CB 3.41Å; W71-W75 PolarHBondContact O-N 3.41Å; W71-Y170 HydrophobicContact CB-CD1 3.46Å; W71-Y170 VanDerWaalsContact CB-CD1 3.46Å; W71-Y170 HydrophobicContact CB-CE1 3.51Å; W71-Y170 HydrophobicContact CB-CG 4.38Å; W71-Y170 HydrophobicContact CE3-CD1 4.45Å; W71-Y170 HydrophobicContact CG-CD1 4.34Å
72D73.5Confident68.2Low65 Ų6587.3 Ų87.335%0.34849%0.485SS..Hα-helixtrans-63.2-42.1174.7-77.2-51000110.1L70 W75 D76L70-D72 VanDerWaalsContact C-N 3.34Å; L70-D72 PolarHBondContact O-N 3.5Å; D72-W75 PolarHBondContact O-N 3Å; D72-D76 VanDerWaalsContact O-CB 3.28Å; D72-D76 WeakPolarHBondContact O-CB 3.23Å; D72-D76 PolarHBondContact O-N 3.38Å
73A76.2Confident70.3Confident57 Ų5790 Ų9047%0.47149%0.486SS..Hα-helixtrans-65.4-44.117700000112.2L70 W71 W75 A77L70-A73 WeakPolarHBondContact O-CB 3.44Å; L70-A73 PolarHBondContact O-N 2.94Å; W71-A73 VanDerWaalsContact C-N 3.32Å; A73-W75 VanDerWaalsContact C-N 3.34Å; A73-A77 WeakPolarHBondContact O-CB 3.47Å; A73-A77 PolarHBondContact O-N 2.81Å
74D73.8Confident71.8Confident68 Ų6888.4 Ų88.436%0.36447%0.465SS..Hα-helixtrans-60.9-43.6174.4-78-16.7000111.5L70 W71 H78 Y170L70-D74 PolarHBondContact O-N 3.11Å; W71-D74 PolarHBondContact O-N 3.03Å; D74-H78 WeakPolarHBondContact O-CB 3.31Å; D74-H78 PolarHBondContact O-N 3.08Å; D74-Y170 PolarHBondContact OD2-OH 3.26Å
75W78.4Confident73.6Confident126 Ų12685.5 Ų85.548%0.47744%0.444SS..Hα-helixtrans-66.6-47.1179.7-179.5-104.3000111.8W71 D72 A73 A77 H78 Q79W71-W75 HydrophobicContact CE3-CB 4.49Å; W71-W75 VanDerWaalsContact O-CB 3.26Å; W71-W75 WeakPolarHBondContact O-CB 3.41Å; W71-W75 PolarHBondContact O-N 3.41Å; D72-W75 PolarHBondContact O-N 3Å; A73-W75 VanDerWaalsContact C-N 3.34Å; W75-A77 VanDerWaalsContact C-N 3.33Å; W75-A77 PolarHBondContact O-N 2.76Å; W75-H78 PolarHBondContact O-N 2.8Å; W75-Q79 HydrophobicContact CD2-CG 4.22Å; W75-Q79 HydrophobicContact CG-CG 4.47Å; W75-Q79 HydrophobicContact CZ2-CG 4.1Å; W75-Q79 VanDerWaalsContact CZ2-NE2 3.26Å; W75-Q79 VanDerWaalsContact NE1-NE2 3.19Å; W75-Q79 WeakPolarHBondContact O-CB 3.31Å; W75-Q79 WeakPolarHBondContact O-CG 3.48Å; W75-Q79 PolarHBondContact O-N 2.85Å
76D81Confident75Confident93 Ų9383.6 Ų83.650%0.49742%0.421SS..Hα-helixtrans-61.4-42177-81.1-11.7000111.5D72 S80D72-D76 VanDerWaalsContact O-CB 3.28Å; D72-D76 WeakPolarHBondContact O-CB 3.23Å; D72-D76 PolarHBondContact O-N 3.38Å; D76-S80 WeakPolarHBondContact O-CB 3.37Å; D76-S80 PolarHBondContact O-N 2.97Å; D76-S80 PolarHBondContact O-OG 2.79Å
77A78.6Confident76.2Confident19 Ų1982.2 Ų82.216%0.15742%0.421CS..Hα-helixtrans-61.3-51.2173.500000111.2L50 A73 W75 Q79 S80 L81L50-A77 HydrophobicContact CD1-CB 3.82Å; L50-A77 HydrophobicContact CD2-CB 3.72Å; L50-A77 HydrophobicContact CG-CB 4.19Å; A73-A77 WeakPolarHBondContact O-CB 3.47Å; A73-A77 PolarHBondContact O-N 2.81Å; W75-A77 VanDerWaalsContact C-N 3.33Å; W75-A77 PolarHBondContact O-N 2.76Å; A77-Q79 PolarHBondContact O-N 3.19Å; A77-S80 PolarHBondContact O-N 3.24Å; A77-L81 VanDerWaalsContact O-CB 3.29Å; A77-L81 WeakPolarHBondContact O-CB 3.33Å; A77-L81 WeakPolarHBondContact O-CG 3.35Å; A77-L81 PolarHBondContact O-N 2.69Å
78H81.6Confident76.9Confident83 Ų8378.8 Ų78.838%0.38441%0.406SS..Hα-helixtrans-57-49.2177.2171.8-89.5000111.4D74 W75 S80 L81 F82D74-H78 WeakPolarHBondContact O-CB 3.31Å; D74-H78 PolarHBondContact O-N 3.08Å; W75-H78 PolarHBondContact O-N 2.8Å; H78-S80 PolarHBondContact O-N 2.95Å; H78-L81 PolarHBondContact O-N 2.94Å; H78-F82 WeakPolarHBondContact O-CB 3.46Å; H78-F82 PolarHBondContact O-N 3.44Å
79Q84.1Confident77.8Confident97 Ų9775.2 Ų75.245%0.45339%0.388SS..Hα-helixtrans-61.5-44.8179.5-75-157.4-30.900112W75 A77 F82 K83W75-Q79 HydrophobicContact CD2-CG 4.22Å; W75-Q79 HydrophobicContact CG-CG 4.47Å; W75-Q79 HydrophobicContact CZ2-CG 4.1Å; W75-Q79 VanDerWaalsContact CZ2-NE2 3.26Å; W75-Q79 VanDerWaalsContact NE1-NE2 3.19Å; W75-Q79 WeakPolarHBondContact O-CB 3.31Å; W75-Q79 WeakPolarHBondContact O-CG 3.48Å; W75-Q79 PolarHBondContact O-N 2.85Å; A77-Q79 PolarHBondContact O-N 3.19Å; Q79-F82 PolarHBondContact O-N 3.26Å; Q79-K83 WeakPolarHBondContact O-CB 3.36Å; Q79-K83 PolarHBondContact O-N 3.03Å
80S83.7Confident78.2Confident80 Ų8075.8 Ų75.856%0.55939%0.386SS*.Hα-helixtrans-62.5-47.2179.4-63.40000111.6D76 A77 H78 A84D76-S80 WeakPolarHBondContact O-CB 3.37Å; D76-S80 PolarHBondContact O-N 2.97Å; D76-S80 PolarHBondContact O-OG 2.79Å; A77-S80 PolarHBondContact O-N 3.24Å; H78-S80 PolarHBondContact O-N 2.95Å; S80-A84 PolarHBondContact O-N 3Å
81L81.9Confident77.8Confident37 Ų3778.9 Ų78.919%0.19440%0.404CS..Hα-helixtrans-66.2-44.6178.3-69.9176.4000111.8I48 L50 A77 H78 K83 A84 W85 W125I48-L81 HydrophobicContact CB-CD2 4.43Å; I48-L81 HydrophobicContact CG2-CB 3.63Å; I48-L81 HydrophobicContact CG2-CD2 3.84Å; I48-L81 HydrophobicContact CG2-CG 4.28Å; I48-L81 VanDerWaalsContact CG2-O 3.22Å; I48-L81 WeakPolarHBondContact CG2-O 2.8Å; L50-L81 HydrophobicContact CG-CD1 4.09Å; A77-L81 VanDerWaalsContact O-CB 3.29Å; A77-L81 WeakPolarHBondContact O-CB 3.33Å; A77-L81 WeakPolarHBondContact O-CG 3.35Å; A77-L81 PolarHBondContact O-N 2.69Å; H78-L81 PolarHBondContact O-N 2.94Å; L81-K83 PolarHBondContact O-N 3.45Å; L81-A84 WeakPolarHBondContact O-CB 3.17Å; L81-A84 PolarHBondContact O-N 3Å; L81-W85 PolarHBondContact O-N 2.92Å; L81-W125 HydrophobicContact CB-CH2 3.97Å
82F85.1Confident76.8Confident84 Ų8475.8 Ų75.837%0.36840%0.399SS..Hα-helixtrans-65.8-39.2178.9-172.4-105.6000111.7H78 Q79 A84 W85 M86 W125H78-F82 WeakPolarHBondContact O-CB 3.46Å; H78-F82 PolarHBondContact O-N 3.44Å; Q79-F82 PolarHBondContact O-N 3.26Å; F82-A84 PolarHBondContact O-N 3.05Å; F82-W85 WeakPolarHBondContact O-CB 3.48Å; F82-W85 PolarHBondContact O-N 3.33Å; F82-M86 HydrophobicContact CD1-CG 4.05Å; F82-M86 HydrophobicContact CE1-CG 3.68Å; F82-M86 HydrophobicContact CE1-SD 4.18Å; F82-M86 HydrophobicContact CE2-CG 4.47Å; F82-M86 HydrophobicContact CE2-SD 4.42Å; F82-M86 HydrophobicContact CZ-CG 3.91Å; F82-M86 HydrophobicContact CZ-SD 3.85Å; F82-M86 WeakPolarHBondContact O-CG 3.28Å; F82-M86 PolarHBondContact O-N 2.89Å; F82-W125 HydrophobicContact CB-CH2 3.92Å; F82-W125 HydrophobicContact CB-CZ2 4.4Å; F82-W125 HydrophobicContact CB-CZ3 4.32Å; F82-W125 HydrophobicContact CD2-CD2 4.18Å; F82-W125 HydrophobicContact CD2-CE3 4.21Å; F82-W125 HydrophobicContact CD2-CH2 4.12Å; F82-W125 HydrophobicContact CD2-CZ2 4.11Å; F82-W125 HydrophobicContact CD2-CZ3 4.15Å
83K85.4Confident75.5Confident165 Ų16575.8 Ų75.872%0.71741%0.414SS*.Hα-helixtrans-61.7-42.5173-177.1178.3178.6-178.90111.6Q79 L81 M86 G87Q79-K83 WeakPolarHBondContact O-CB 3.36Å; Q79-K83 PolarHBondContact O-N 3.03Å; L81-K83 PolarHBondContact O-N 3.45Å; K83-M86 PolarHBondContact O-N 2.76Å; K83-G87 PolarHBondContact O-N 3.48Å
84A79.7Confident74Confident49 Ų4981.4 Ų81.441%0.40543%0.43SS..Hα-helixtrans-61.6-44.1174.500000111.7S80 L81 F82 G87 I88S80-A84 PolarHBondContact O-N 3Å; L81-A84 WeakPolarHBondContact O-CB 3.17Å; L81-A84 PolarHBondContact O-N 3Å; F82-A84 PolarHBondContact O-N 3.05Å; A84-G87 WeakPolarHBondContact O-CA 3.43Å; A84-G87 PolarHBondContact O-N 2.87Å; A84-I88 PolarHBondContact O-N 2.81Å
85W80.8Confident72.5Confident28 Ų2889.6 Ų89.611%0.10646%0.456CS..Hα-helixtrans-59.8-46.5174.3166.4-110.6000112.8I48 L81 F82 G87 I88 K89 L123 W125I48-W85 HydrophobicContact CD1-CB 4.04Å; I48-W85 HydrophobicContact CD1-CE3 4.34Å; I48-W85 HydrophobicContact CG2-CB 4.47Å; L81-W85 PolarHBondContact O-N 2.92Å; F82-W85 WeakPolarHBondContact O-CB 3.48Å; F82-W85 PolarHBondContact O-N 3.33Å; W85-G87 VanDerWaalsContact C-N 3.26Å; W85-G87 PolarHBondContact O-N 3.5Å; W85-I88 WeakPolarHBondContact O-CB 3.22Å; W85-I88 PolarHBondContact O-N 2.92Å; W85-I88 VanDerWaalsContact O-N 3.08Å; W85-K89 PolarHBondContact O-N 3.24Å; W85-L123 HydrophobicContact CH2-CB 4.21Å; W85-L123 WeakPolarHBondContact CH2-O 3.2Å; W85-L123 HydrophobicContact CZ3-CB 4.01Å; W85-W125 HydrophobicContact CB-CE3 3.49Å; W85-W125 VanDerWaalsContact CB-CE3 3.49Å; W85-W125 HydrophobicContact CB-CZ3 3.5Å; W85-W125 AromaticContact CD1-CE3 3.64Å; W85-W125 HydrophobicContact CD2-CB 4.42Å; W85-W125 HydrophobicContact CD2-CE3 4.06Å; W85-W125 HydrophobicContact CG-CD2 4.38Å; W85-W125 AromaticContact CG-CE3 3.42Å; W85-W125 HydrophobicContact CG-CE3 3.42Å; W85-W125 VanDerWaalsContact CG-CE3 3.42Å; W85-W125 AromaticContact CG-CZ3 3.99Å; W85-W125 HydrophobicContact CG-CZ3 3.99Å; W85-W125 HydrophobicContact CZ2-CB 4.31Å
86M82.4Confident70.8Confident42 Ų4289.2 Ų89.221%0.20746%0.463CS..Hα-helixtrans-61.9-37.4175.5-69.8-57.5-60.200110.9F82 K83 I88 K89 E90F82-M86 HydrophobicContact CD1-CG 4.05Å; F82-M86 HydrophobicContact CE1-CG 3.68Å; F82-M86 HydrophobicContact CE1-SD 4.18Å; F82-M86 HydrophobicContact CE2-CG 4.47Å; F82-M86 HydrophobicContact CE2-SD 4.42Å; F82-M86 HydrophobicContact CZ-CG 3.91Å; F82-M86 HydrophobicContact CZ-SD 3.85Å; F82-M86 WeakPolarHBondContact O-CG 3.28Å; F82-M86 PolarHBondContact O-N 2.89Å; K83-M86 PolarHBondContact O-N 2.76Å; M86-I88 VanDerWaalsContact C-N 3.34Å; M86-I88 PolarHBondContact O-N 3.49Å; M86-K89 HydrophobicContact CE-CD 4.4Å; M86-K89 CarbonylContact O-C 3.43Å; M86-K89 PolarHBondContact O-N 2.84Å; M86-K89 VanDerWaalsContact O-N 3.11Å; M86-K89 HydrophobicContact SD-CD 4.21Å; M86-E90 HydrophobicContact CE-CG 4.06Å; M86-E90 WeakPolarHBondContact CE-OE1 3.44Å; M86-E90 VanDerWaalsContact O-CB 3.23Å; M86-E90 WeakPolarHBondContact O-CB 3.34Å; M86-E90 WeakPolarHBondContact O-CG 3.19Å; M86-E90 PolarHBondContact O-N 3.27Å
87G78.3Confident69.2Low24 Ų2487.5 Ų87.525%0.24746%0.458CS..Hα-helixtrans-57.5-42.2170.700000113.4K83 A84 W85 K89 N91K83-G87 PolarHBondContact O-N 3.48Å; A84-G87 WeakPolarHBondContact O-CA 3.43Å; A84-G87 PolarHBondContact O-N 2.87Å; W85-G87 VanDerWaalsContact C-N 3.26Å; W85-G87 PolarHBondContact O-N 3.5Å; G87-K89 VanDerWaalsContact C-N 3.35Å; G87-N91 WeakPolarHBondContact O-CB 3.29Å; G87-N91 VanDerWaalsContact O-CG 3.24Å; G87-N91 PolarHBondContact O-N 3.44Å; G87-N91 PolarHBondContact O-ND2 2.82Å
88I74.8Confident68.2Low60 Ų6091.8 Ų91.831%0.30847%0.473SS..Hα-helixtrans-65.2-39.7174.1-64.3177.9000111.1I48 A84 W85 M86 F98I48-I88 HydrophobicContact CD1-CD1 3.53Å; A84-I88 PolarHBondContact O-N 2.81Å; W85-I88 WeakPolarHBondContact O-CB 3.22Å; W85-I88 PolarHBondContact O-N 2.92Å; W85-I88 VanDerWaalsContact O-N 3.08Å; M86-I88 VanDerWaalsContact C-N 3.34Å; M86-I88 PolarHBondContact O-N 3.49Å; I88-F98 HydrophobicContact CG2-CB 4.14Å; I88-F98 WeakPolarHBondContact O-CB 3.18Å
89K74.4Confident67.3Low111 Ų11188.6 Ų88.648%0.48346%0.461SS..Hα-helixtrans-71.7-37.9-179.3-168.1-179.4178.1-175.30112.7W85 M86 G87W85-K89 PolarHBondContact O-N 3.24Å; M86-K89 HydrophobicContact CE-CD 4.4Å; M86-K89 CarbonylContact O-C 3.43Å; M86-K89 PolarHBondContact O-N 2.84Å; M86-K89 VanDerWaalsContact O-N 3.11Å; M86-K89 HydrophobicContact SD-CD 4.21Å; G87-K89 VanDerWaalsContact C-N 3.35Å
90E69.3Low66.9Low133 Ų13390.6 Ų90.662%0.62146%0.464SS*.Hα-helixtrans-99.2-25.2-168.5-67.4-178.9165.400114.6M86 A92M86-E90 HydrophobicContact CE-CG 4.06Å; M86-E90 WeakPolarHBondContact CE-OE1 3.44Å; M86-E90 VanDerWaalsContact O-CB 3.23Å; M86-E90 WeakPolarHBondContact O-CB 3.34Å; M86-E90 WeakPolarHBondContact O-CG 3.19Å; M86-E90 PolarHBondContact O-N 3.27Å; E90-A92 PolarHBondContact O-N 3.11Å
91N57.8Low66.9Low138 Ų13887.5 Ų87.574%0.73844%0.441SS*.  trans-63.96.8174.8-79.7-27.3000114.1G87 G93G87-N91 WeakPolarHBondContact O-CB 3.29Å; G87-N91 VanDerWaalsContact O-CG 3.24Å; G87-N91 PolarHBondContact O-N 3.44Å; G87-N91 PolarHBondContact O-ND2 2.82Å; N91-G93 PolarHBondContact O-N 2.74Å
92A52.7Low67.2Low32 Ų3288.4 Ų88.426%0.26445%0.446SS..  trans-8142.6176.700000113.4E90 H94 N96E90-A92 PolarHBondContact O-N 3.11Å; A92-H94 PolarHBondContact O-N 2.86Å; A92-N96 WeakPolarHBondContact CB-O 3.46Å
93G46.3Very low67.5Low65 Ų6584.4 Ų84.467%0.6743%0.429SS*.  trans-58.9-4.7179.100000115.8N91N91-G93 PolarHBondContact O-N 2.74Å
94H44Very low67.8Low175 Ų17580.1 Ų80.181%0.8141%0.412SS*.SBendtrans-150.9108.6172.9-9477.3000111.7A92 N96A92-H94 PolarHBondContact O-N 2.86Å; H94-N96 PolarHBondContact O-N 2.85Å
95R41.9Very low68.5Low241 Ų24177.8 Ų77.891%0.90939%0.393SS*.SBendtrans60.6-3.9156.2-80.9-174.7-179.9-162.10.6122.1
96N43.6Very low69Low117 Ų11776.8 Ų76.863%0.62639%0.389SS*.  trans-140.7114.1169.5-73.2-45.4000110.2A92 H94 F98A92-N96 WeakPolarHBondContact CB-O 3.46Å; H94-N96 PolarHBondContact O-N 2.85Å; N96-F98 PolarHBondContact O-N 3.06Å
97C47.5Very low69.4Low58 Ų5875.8 Ų75.839%0.39239%0.385SS..  trans-59.8117.5169.3-166.20000108.2S99 R100C97-S99 PolarHBondContact O-N 2.67Å; C97-S99 VanDerWaalsContact O-N 3.11Å; C97-S99 PolarHBondContact SG-OG 3.01Å; C97-R100 CarbonylContact O-C 3.44Å; C97-R100 PolarHBondContact O-N 3.22Å; C97-R100 VanDerWaalsContact O-O 3.11Å
98F57.5Low69.8Low108 Ų10876.1 Ų76.147%0.47438%0.382SS..THydrogen-bonded Turntrans-62.1-16.2176-105.8-88.2000112.4I88 N96 R100 L101I88-F98 HydrophobicContact CG2-CB 4.14Å; I88-F98 WeakPolarHBondContact O-CB 3.18Å; N96-F98 PolarHBondContact O-N 3.06Å; F98-R100 VanDerWaalsContact C-N 3.29Å; F98-L101 HydrophobicContact CD1-CD2 4.07Å; F98-L101 WeakPolarHBondContact O-CD2 3.26Å; F98-L101 WeakPolarHBondContact O-CG 3.36Å
99S62.1Low70.3Confident17 Ų1774.9 Ų74.912%0.11938%0.377CS..THydrogen-bonded Turntrans-66.5-31.7169.184.50000111.8C97 E122 L123C97-S99 PolarHBondContact O-N 2.67Å; C97-S99 VanDerWaalsContact O-N 3.11Å; C97-S99 PolarHBondContact SG-OG 3.01Å; S99-E122 CarbonylContact O-C 3.53Å; S99-E122 WeakPolarHBondContact O-CA 3.15Å; S99-L123 PolarHBondContact O-N 3.21Å
100R76.1Confident70.7Confident138 Ų13876.1 Ų76.152%0.52139%0.389SS..EExtended strand (participates in β ladder)trans-116.597.9-178.8-167.9174.1-179.9-177.94.8111.1C97 F98 A121C97-R100 CarbonylContact O-C 3.44Å; C97-R100 PolarHBondContact O-N 3.22Å; C97-R100 VanDerWaalsContact O-O 3.11Å; F98-R100 VanDerWaalsContact C-N 3.29Å; R100-A121 CarbonylContact C-O 3.56Å; R100-A121 WeakPolarHBondContact CA-O 3.37Å
101L83.1Confident71.4Confident16 Ų1677.4 Ų77.48%0.08440%0.399CS..EExtended strand (participates in β ladder)trans-93.1140.9-176.4-57165.4000109.2R10 F11 F36 F98 S120 A121 L123R10-L101 VanDerWaalsContact CZ-CD1 3.45Å; R10-L101 VanDerWaalsContact NH2-CD1 3.29Å; R10-L101 VanDerWaalsContact NH2-CD2 3.29Å; F11-L101 HydrophobicContact CE2-CB 3.84Å; F11-L101 HydrophobicContact CZ-CB 3.96Å; F36-L101 HydrophobicContact CE1-CD1 4.39Å; F36-L101 HydrophobicContact CE2-CD1 3.61Å; F36-L101 HydrophobicContact CZ-CD1 3.35Å; F98-L101 HydrophobicContact CD1-CD2 4.07Å; F98-L101 WeakPolarHBondContact O-CD2 3.26Å; F98-L101 WeakPolarHBondContact O-CG 3.36Å; L101-S120 CarbonylContact O-C 3.49Å; L101-S120 WeakPolarHBondContact O-CA 3.26Å; L101-A121 PolarHBondContact N-O 3.46Å; L101-A121 PolarHBondContact O-N 3.41Å; L101-L123 HydrophobicContact CD1-CD1 4.36Å
102N87.7Confident72.6Confident56 Ų5676.4 Ų76.430%0.29939%0.39SS..EExtended strand (participates in β ladder)trans-125.2139.9178.9-63.3-66.9000110.1K118 V119 S120N102-K118 WeakPolarHBondContact OD1-CE 3.15Å; N102-V119 CarbonylContact C-O 3.57Å; N102-V119 VanDerWaalsContact CA-O 3.31Å; N102-V119 WeakPolarHBondContact CA-O 3.18Å; N102-S120 VanDerWaalsContact OD1-CB 3.26Å; N102-S120 WeakPolarHBondContact OD1-CB 3.32Å
103A91.5Very high74.3Confident0 Ų081.9 Ų81.90%041%0.408CS..EExtended strand (participates in β ladder)trans-130.7151.8169.900000111S6 F11 F105 V119S6-A103 VanDerWaalsContact OG-CA 3.29Å; S6-A103 WeakPolarHBondContact OG-CA 3.43Å; F11-A103 HydrophobicContact CB-CB 3.6Å; F11-A103 HydrophobicContact CD1-CB 3.68Å; F11-A103 HydrophobicContact CD2-CB 3.54Å; F11-A103 HydrophobicContact CE1-CB 4.16Å; F11-A103 HydrophobicContact CE2-CB 4.03Å; F11-A103 HydrophobicContact CG-CB 3.32Å; F11-A103 HydrophobicContact CZ-CB 4.31Å; A103-F105 HydrophobicContact CB-CE2 3.91Å; A103-V119 PolarHBondContact N-O 3.4Å; A103-V119 PolarHBondContact O-N 2.65Å
104M92.9Very high76.2Confident74 Ų7484.1 Ų84.137%0.36540%0.404SS..EExtended strand (participates in β ladder)trans-114.6129.6179.2-65.7-71.7-89.600108.6L5 S6 V116 S117 K118L5-M104 HydrophobicContact CB-CB 4Å; L5-M104 WeakPolarHBondContact CB-O 3.24Å; L5-M104 PolarHBondContact N-O 3.47Å; S6-M104 PolarHBondContact OG-N 3.18Å; M104-V116 HydrophobicContact CE-CG1 3.25Å; M104-V116 HydrophobicContact SD-CG1 4.15Å; M104-S117 WeakPolarHBondContact CA-O 3.03Å; M104-K118 HydrophobicContact SD-CB 3.56Å; M104-K118 VanDerWaalsContact SD-CB 3.56Å; M104-K118 HydrophobicContact SD-CD 4.43Å; M104-K118 HydrophobicContact SD-CG 3.81Å
105F93.1Very high78.4Confident1 Ų178.4 Ų78.40%0.00438%0.379CS..EExtended strand (participates in β ladder)trans-118.2141174.5-70.6-91.3000109.4R3 F11 Y13 I34 A103 V116 S117 V119R3-F105 WeakPolarHBondContact O-CA 3.45Å; F11-F105 HydrophobicContact CB-CE2 4.19Å; F11-F105 HydrophobicContact CB-CZ 3.93Å; Y13-F105 HydrophobicContact CD1-CD1 4.24Å; Y13-F105 HydrophobicContact CD1-CE1 4Å; I34-F105 HydrophobicContact CD1-CB 4.38Å; I34-F105 HydrophobicContact CD1-CD2 3.85Å; I34-F105 HydrophobicContact CD1-CE2 4.27Å; I34-F105 HydrophobicContact CD1-CG 4.01Å; I34-F105 HydrophobicContact CG2-CD2 4.24Å; I34-F105 HydrophobicContact CG2-CE2 3.56Å; I34-F105 HydrophobicContact CG2-CZ 3.74Å; A103-F105 HydrophobicContact CB-CE2 3.91Å; F105-V116 CarbonylContact O-C 3.55Å; F105-V116 WeakPolarHBondContact O-CA 3.5Å; F105-S117 PolarHBondContact N-O 3.36Å; F105-S117 PolarHBondContact O-N 2.88Å; F105-V119 HydrophobicContact CD2-CB 4.48Å; F105-V119 HydrophobicContact CD2-CG2 3.91Å; F105-V119 HydrophobicContact CE2-CB 4.45Å; F105-V119 HydrophobicContact CE2-CG2 4.24Å
106E93Very high80.8Confident7 Ų770.3 Ų70.33%0.03336%0.356CS..EExtended strand (participates in β ladder)trans-112.2134.4175.5-173.5-171.4132.200110.4I2 R3 L5 N108 N114 I115I2-E106 CarbonylContact C-O 3.56Å; I2-E106 VanDerWaalsContact CA-O 3.31Å; I2-E106 WeakPolarHBondContact CA-O 3.45Å; R3-E106 HydrophobicContact CG-CB 3.87Å; R3-E106 IonicContact CZ-OE1 3.55Å; R3-E106 IonicContact CZ-OE2 3.16Å; R3-E106 PolarHBondContact N-O 3.1Å; R3-E106 VanDerWaalsContact NE-CD 3.28Å; R3-E106 IonicContact NE-OE1 3.36Å; R3-E106 PolarHBondContact NE-OE1 2.67Å; R3-E106 IonicContact NE-OE2 2.86Å; R3-E106 PolarHBondContact NE-OE2 3.36Å; R3-E106 VanDerWaalsContact NH2-CD 3.28Å; R3-E106 IonicContact NH2-OE1 3.1Å; R3-E106 PolarHBondContact NH2-OE1 2.86Å; R3-E106 VanDerWaalsContact NH2-OE1 3.1Å; R3-E106 IonicContact NH2-OE2 2.67Å; R3-E106 PolarHBondContact NH2-OE2 3.27Å; R3-E106 PolarHBondContact O-N 3.42Å; L5-E106 HydrophobicContact CD1-CB 3.89Å; L5-E106 HydrophobicContact CD2-CB 4.23Å; L5-E106 HydrophobicContact CG-CB 3.96Å; E106-N108 PolarHBondContact OE1-ND2 3.03Å; E106-N108 PolarHBondContact OE1-OD1 3.26Å; E106-N114 PolarHBondContact OE1-OD1 2.82Å; E106-I115 WeakPolarHBondContact CA-O 3.37Å
107V89.9Confident83Confident21 Ų2167.2 Ų67.213%0.12734%0.344CS..EExtended strand (participates in β ladder)trans-116128174.7-1720000108.4I2 I31 I115I2-V107 HydrophobicContact CD1-CG2 3.77Å; I2-V107 HydrophobicContact CG1-CB 4.28Å; I2-V107 HydrophobicContact CG1-CG1 4.48Å; I2-V107 HydrophobicContact CG1-CG2 3.53Å; I31-V107 HydrophobicContact CD1-CB 4.4Å; I31-V107 HydrophobicContact CD1-CG1 3.46Å; I31-V107 VanDerWaalsContact CD1-CG1 3.46Å; I31-V107 HydrophobicContact CD1-CG2 4.04Å; V107-I115 HydrophobicContact CB-CB 4.27Å; V107-I115 PolarHBondContact N-O 2.84Å; V107-I115 VanDerWaalsContact O-CB 3.31Å; V107-I115 WeakPolarHBondContact O-CB 3.13Å; V107-I115 PolarHBondContact O-N 2.88Å
108N87Confident85.1Confident31 Ų3171.2 Ų71.217%0.16636%0.355CS..  trans-115.2127.2172.7-69.9-44.8000109.1Q1 E106 K113 N114Q1-N108 PolarHBondContact N-O 3.33Å; Q1-N108 PolarHBondContact O-N 3.01Å; E106-N108 PolarHBondContact OE1-ND2 3.03Å; E106-N108 PolarHBondContact OE1-OD1 3.26Å; N108-K113 WeakPolarHBondContact OD1-CA 3.2Å; N108-K113 WeakPolarHBondContact OD1-CB 3.22Å; N108-N114 PolarHBondContact OD1-N 3.2Å
109T84.1Confident86.8Confident34 Ų3467.9 Ų67.921%0.20934%0.343CS..  trans-101.6179.5166.873.90000109.7L23 L111 Q112 I115L23-T109 HydrophobicContact CD1-CG2 3.43Å; L23-T109 VanDerWaalsContact CD1-CG2 3.43Å; T109-L111 PolarHBondContact OG1-N 3.4Å; T109-Q112 PolarHBondContact N-O 3.29Å; T109-Q112 PolarHBondContact OG1-N 2.8Å; T109-Q112 PolarHBondContact OG1-O 3.25Å; T109-Q112 VanDerWaalsContact OG1-O 3.09Å; T109-I115 HydrophobicContact CG2-CD1 4.45Å
110D82.7Confident88.1Confident137 Ų13770.2 Ų70.273%0.73336%0.359SS*.SBendtrans-62.8-44.7170.558.9-28.8000112.2
111L84.6Confident88.6Confident159 Ų15964.2 Ų64.283%0.83234%0.339SS*.SBendtrans-90.3-27.5-176.4-63.8175.6000114.2T109T109-L111 PolarHBondContact OG1-N 3.4Å
112Q82.8Confident88.7Confident118 Ų11870.3 Ų70.355%0.55137%0.367SS*.  trans-136.9128.5-174-171.61756.400111.6T109 I115T109-Q112 PolarHBondContact N-O 3.29Å; T109-Q112 PolarHBondContact OG1-N 2.8Å; T109-Q112 PolarHBondContact OG1-O 3.25Å; T109-Q112 VanDerWaalsContact OG1-O 3.09Å; Q112-I115 HydrophobicContact CB-CD1 4.21Å; Q112-I115 HydrophobicContact CG-CD1 3.94Å; Q112-I115 HydrophobicContact CG-CG1 3.9Å
113K87.9Confident88.3Confident146 Ų14669.7 Ų69.764%0.63536%0.364SS*.  trans-112.1163.7178.6-61.4-176.1-176.8178.70111N108N108-K113 WeakPolarHBondContact OD1-CA 3.2Å; N108-K113 WeakPolarHBondContact OD1-CB 3.22Å
114N88Confident87.8Confident112 Ų11274.1 Ų74.160%0.59940%0.395SS*.  trans61.937.2176.7-49-55.1000114E106 N108 V116E106-N114 PolarHBondContact OE1-OD1 2.82Å; N108-N114 PolarHBondContact OD1-N 3.2Å; N114-V116 PolarHBondContact O-N 3.03Å; N114-V116 VanDerWaalsContact O-N 3.11Å
115I88.8Confident87.2Confident56 Ų5674.2 Ų74.229%0.28739%0.391SS..EExtended strand (participates in β ladder)trans-77.8100.5172.6-54.7172.9000107.7E106 V107 T109 Q112E106-I115 WeakPolarHBondContact CA-O 3.37Å; V107-I115 HydrophobicContact CB-CB 4.27Å; V107-I115 PolarHBondContact N-O 2.84Å; V107-I115 VanDerWaalsContact O-CB 3.31Å; V107-I115 WeakPolarHBondContact O-CB 3.13Å; V107-I115 PolarHBondContact O-N 2.88Å; T109-I115 HydrophobicContact CG2-CD1 4.45Å; Q112-I115 HydrophobicContact CB-CD1 4.21Å; Q112-I115 HydrophobicContact CG-CD1 3.94Å; Q112-I115 HydrophobicContact CG-CG1 3.9Å
116V92Very high86.4Confident71 Ų7177.4 Ų77.443%0.4341%0.412SS..EExtended strand (participates in β ladder)trans-93.5131.6-176.4-179.30000110.6L5 M104 F105 N114L5-V116 HydrophobicContact CD1-CG2 4.31Å; M104-V116 HydrophobicContact CE-CG1 3.25Å; M104-V116 HydrophobicContact SD-CG1 4.15Å; F105-V116 CarbonylContact O-C 3.55Å; F105-V116 WeakPolarHBondContact O-CA 3.5Å; N114-V116 PolarHBondContact O-N 3.03Å; N114-V116 VanDerWaalsContact O-N 3.11Å
117S90.8Very high85.8Confident52 Ų5278.9 Ų78.936%0.36442%0.423SS..EExtended strand (participates in β ladder)trans-121.9127.1176.7-66.20000110.4M104 F105M104-S117 WeakPolarHBondContact CA-O 3.03Å; F105-S117 PolarHBondContact N-O 3.36Å; F105-S117 PolarHBondContact O-N 2.88Å
118K92.4Very high85.5Confident142 Ų14280 Ų8062%0.61743%0.43SS*.EExtended strand (participates in β ladder)trans-89.3128.4172.8-173.7176.4178.1179.30109.6N102 M104N102-K118 WeakPolarHBondContact OD1-CE 3.15Å; M104-K118 HydrophobicContact SD-CB 3.56Å; M104-K118 VanDerWaalsContact SD-CB 3.56Å; M104-K118 HydrophobicContact SD-CD 4.43Å; M104-K118 HydrophobicContact SD-CG 3.81Å
119V91.4Very high85.3Confident38 Ų3881.7 Ų81.723%0.2344%0.439CS..EExtended strand (participates in β ladder)trans-114.9141.5173.1-177.30000108F11 I34 N102 A103 F105F11-V119 HydrophobicContact CD1-CG1 4.36Å; F11-V119 HydrophobicContact CE1-CG1 4.1Å; I34-V119 HydrophobicContact CD1-CG2 3.7Å; I34-V119 HydrophobicContact CG2-CG1 4.22Å; I34-V119 HydrophobicContact CG2-CG2 4.24Å; N102-V119 CarbonylContact C-O 3.57Å; N102-V119 VanDerWaalsContact CA-O 3.31Å; N102-V119 WeakPolarHBondContact CA-O 3.18Å; A103-V119 PolarHBondContact N-O 3.4Å; A103-V119 PolarHBondContact O-N 2.65Å; F105-V119 HydrophobicContact CD2-CB 4.48Å; F105-V119 HydrophobicContact CD2-CG2 3.91Å; F105-V119 HydrophobicContact CE2-CB 4.45Å; F105-V119 HydrophobicContact CE2-CG2 4.24Å
120S90.1Very high84.8Confident65 Ų6582.5 Ų82.546%0.45545%0.445SS..EExtended strand (participates in β ladder)trans-127.4139.7175.660.70000110.9L101 N102L101-S120 CarbonylContact O-C 3.49Å; L101-S120 WeakPolarHBondContact O-CA 3.26Å; N102-S120 VanDerWaalsContact OD1-CB 3.26Å; N102-S120 WeakPolarHBondContact OD1-CB 3.32Å
121A87.2Confident84.2Confident13 Ų1379.9 Ų79.911%0.10744%0.438CS..EExtended strand (participates in β ladder)trans-115.2142.5168.100000108.9F11 F36 R100 L101F11-A121 HydrophobicContact CE1-CB 3.95Å; F11-A121 HydrophobicContact CZ-CB 3.64Å; F36-A121 HydrophobicContact CB-CB 4.1Å; F36-A121 HydrophobicContact CD1-CB 3.49Å; F36-A121 VanDerWaalsContact CD1-CB 3.49Å; F36-A121 HydrophobicContact CD2-CB 3.9Å; F36-A121 HydrophobicContact CE1-CB 3.83Å; F36-A121 HydrophobicContact CE2-CB 4.21Å; F36-A121 HydrophobicContact CG-CB 3.53Å; F36-A121 HydrophobicContact CZ-CB 4.18Å; R100-A121 CarbonylContact C-O 3.56Å; R100-A121 WeakPolarHBondContact CA-O 3.37Å; L101-A121 PolarHBondContact N-O 3.46Å; L101-A121 PolarHBondContact O-N 3.41Å
122E83.8Confident83.6Confident144 Ų14474.5 Ų74.567%0.67341%0.412SS*.EExtended strand (participates in β ladder)trans-122.3124.3176.3-170.2167.418000110.1S99S99-E122 CarbonylContact O-C 3.53Å; S99-E122 WeakPolarHBondContact O-CA 3.15Å
123L80.1Confident83.3Confident43 Ų4377.5 Ų77.523%0.22542%0.419CS..  trans-88141172.9-55.5177.6000108.8F36 P38 W85 S99 L101F36-L123 HydrophobicContact CE1-CD2 3.92Å; F36-L123 HydrophobicContact CZ-CD2 4.34Å; P38-L123 HydrophobicContact CB-CD2 4.5Å; W85-L123 HydrophobicContact CH2-CB 4.21Å; W85-L123 WeakPolarHBondContact CH2-O 3.2Å; W85-L123 HydrophobicContact CZ3-CB 4.01Å; S99-L123 PolarHBondContact O-N 3.21Å; L101-L123 HydrophobicContact CD1-CD1 4.36Å
124S80.3Confident83.1Confident93 Ų9376.7 Ų76.765%0.6542%0.421SS*.  trans-134.5155.117658.90000110.4
125W80.6Confident83Confident76 Ų7673.7 Ų73.729%0.28840%0.404SS..  trans-66.1129.9168.3-179.3-102.3000108.9I48 L81 F82 W85 S127I48-W125 HydrophobicContact CG2-CE3 4.4Å; I48-W125 HydrophobicContact CG2-CH2 4.12Å; I48-W125 HydrophobicContact CG2-CZ3 3.51Å; L81-W125 HydrophobicContact CB-CH2 3.97Å; F82-W125 HydrophobicContact CB-CH2 3.92Å; F82-W125 HydrophobicContact CB-CZ2 4.4Å; F82-W125 HydrophobicContact CB-CZ3 4.32Å; F82-W125 HydrophobicContact CD2-CD2 4.18Å; F82-W125 HydrophobicContact CD2-CE3 4.21Å; F82-W125 HydrophobicContact CD2-CH2 4.12Å; F82-W125 HydrophobicContact CD2-CZ2 4.11Å; F82-W125 HydrophobicContact CD2-CZ3 4.15Å; W85-W125 HydrophobicContact CB-CE3 3.49Å; W85-W125 VanDerWaalsContact CB-CE3 3.49Å; W85-W125 HydrophobicContact CB-CZ3 3.5Å; W85-W125 AromaticContact CD1-CE3 3.64Å; W85-W125 HydrophobicContact CD2-CB 4.42Å; W85-W125 HydrophobicContact CD2-CE3 4.06Å; W85-W125 HydrophobicContact CG-CD2 4.38Å; W85-W125 AromaticContact CG-CE3 3.42Å; W85-W125 HydrophobicContact CG-CE3 3.42Å; W85-W125 VanDerWaalsContact CG-CE3 3.42Å; W85-W125 AromaticContact CG-CZ3 3.99Å; W85-W125 HydrophobicContact CG-CZ3 3.99Å; W85-W125 HydrophobicContact CZ2-CB 4.31Å; W125-S127 PolarHBondContact O-N 2.82Å
126P77.8Confident82.9Confident67 Ų6779.2 Ų79.244%0.43543%0.426SS..  trans-61133.7-176.324.1-33.8000111.2
127S79.9Confident82.8Confident39 Ų3981.5 Ų81.527%0.27343%0.431SS..  trans-142.7120.1176178.60000108.3W125 L129 R133W125-S127 PolarHBondContact O-N 2.82Å; S127-L129 PolarHBondContact OG-O 2.94Å; S127-R133 PolarHBondContact OG-NH1 3.01Å; S127-R133 PolarHBondContact OG-NH2 3.4Å
128V82.9Confident82.7Confident44 Ų4482.7 Ų82.727%0.26744%0.437SS..SBendtrans-84.7-23.6176.3-169.20000111.4S130 L152 E153 V162V128-S130 PolarHBondContact O-N 3.17Å; V128-L152 HydrophobicContact CG1-CB 3.95Å; V128-L152 HydrophobicContact CG1-CD2 4.25Å; V128-L152 WeakPolarHBondContact O-CA 3.25Å; V128-E153 WeakPolarHBondContact CA-O 3.28Å; V128-E153 WeakPolarHBondContact CG1-O 3.16Å; V128-E153 PolarHBondContact O-N 3.4Å; V128-V162 HydrophobicContact CG1-CG2 4.21Å
129L83.8Confident82.6Confident67 Ų6784.7 Ų84.735%0.35145%0.454SS..BIsolated β-bridgetrans-78.2114.5173-83.9145.4000110S127 R133 I150 L152S127-L129 PolarHBondContact OG-O 2.94Å; L129-R133 PolarHBondContact O-NH2 3.41Å; L129-I150 HydrophobicContact CD2-CG2 3.52Å; L129-L152 HydrophobicContact CD2-CD2 4.09Å; L129-L152 HydrophobicContact CG-CD2 3.89Å
130S72.4Confident82.7Confident50 Ų5086 Ų8635%0.3546%0.462SS..  trans-80.7-56.4175.455.10000110.8V128 S151 E153V128-S130 PolarHBondContact O-N 3.17Å; S130-S151 PolarHBondContact OG-O 2.96Å; S130-E153 PolarHBondContact OG-OE1 3.11Å
131S70.4Confident82.9Confident82 Ų8289.2 Ų89.257%0.57347%0.474SS*.SBendtrans-178.4149.2171.9178.40000109.7
132P71.4Confident83.1Confident46 Ų4694.9 Ų94.930%0.29951%0.507SS..  cis-85.2149.3-3.733.4-34.8000113.6L135P132-L135 HydrophobicContact CB-CD2 4.44Å; P132-L135 HydrophobicContact CG-CD2 3.42Å; P132-L135 VanDerWaalsContact CG-CD2 3.42Å; P132-L135 HydrophobicContact CG-CG 4.33Å
133R76.8Confident83.4Confident181 Ų18196.4 Ų96.468%0.68352%0.52SS*.SBendtrans-85.7-15.2176.7-65-177.1-171.9-89.6-9.2114S127 L129S127-R133 PolarHBondContact OG-NH1 3.01Å; S127-R133 PolarHBondContact OG-NH2 3.4Å; L129-R133 PolarHBondContact O-NH2 3.41Å
134L83.8Confident84.1Confident129 Ų12997.8 Ų97.868%0.67553%0.533SS*.SBendtrans-135.2119.9179178.167.3000107.7
135L86.1Confident84.6Confident49 Ų4998 Ų9826%0.25753%0.534SS..  trans-100.9138.5172.1-70.2178.8000109.9P132 F137 E148 I150P132-L135 HydrophobicContact CB-CD2 4.44Å; P132-L135 HydrophobicContact CG-CD2 3.42Å; P132-L135 VanDerWaalsContact CG-CD2 3.42Å; P132-L135 HydrophobicContact CG-CG 4.33Å; L135-F137 HydrophobicContact CB-CE2 4.2Å; L135-F137 HydrophobicContact CD1-CE2 4.43Å; L135-F137 HydrophobicContact CD1-CZ 4.26Å; L135-E148 HydrophobicContact CD1-CB 3.94Å; L135-E148 HydrophobicContact CD2-CB 3.98Å; L135-E148 HydrophobicContact CD2-CG 4.21Å; L135-I150 HydrophobicContact CD1-CD1 3.46Å; L135-I150 VanDerWaalsContact CD1-CD1 3.46Å; L135-I150 HydrophobicContact CD1-CG1 3.67Å; L135-I150 HydrophobicContact CG-CD1 4.41Å
136K87.2Confident85.1Confident172 Ų17296.2 Ų96.275%0.74853%0.533SS*.  trans-123.1106.8172.1-70.7-175.9-179.8-1800107.8
137F89.4Confident85.7Confident119 Ų119101 Ų10152%0.52255%0.55SS.*PPolyproline II helixtrans-73.8130.2175.7-69.6-84.8000109.8L135 S146 E148L135-F137 HydrophobicContact CB-CE2 4.2Å; L135-F137 HydrophobicContact CD1-CE2 4.43Å; L135-F137 HydrophobicContact CD1-CZ 4.26Å; F137-S146 WeakPolarHBondContact CD1-OG 3.27Å; F137-E148 HydrophobicContact CD1-CG 4.09Å; F137-E148 HydrophobicContact CE1-CB 3.92Å; F137-E148 HydrophobicContact CE1-CG 3.67Å; F137-E148 HydrophobicContact CZ-CB 4.14Å; F137-E148 HydrophobicContact CZ-CG 4.2Å
138P89Confident86.1Confident78 Ų78104 Ų10451%0.50656%0.559SS.*PPolyproline II helixtrans-68.8156.5174.929.6-34.3000110.6T140P138-T140 PolarHBondContact O-N 2.85Å
139L91.2Very high86.3Confident183 Ų183109.8 Ų109.896%0.95858%0.584SS**PPolyproline II helixtrans-61.4125.5171.4-67.6173.9000109.4
140T93.4Very high86.4Confident67 Ų67109.8 Ų109.841%0.41158%0.584SS.*PPolyproline II helixtrans-102.8150.6173.959.40000110.1P138 C144P138-T140 PolarHBondContact O-N 2.85Å; T140-C144 WeakPolarHBondContact CB-O 3.36Å; T140-C144 PolarHBondContact OG1-O 3.02Å
141N93.4Very high87.1Confident131 Ų131110.2 Ų110.270%0.70159%0.586SS**PPolyproline II helixtrans-66.8161.3167.6-73.6-34000110.1N143 C144N141-N143 PolarHBondContact O-N 2.99Å; N141-C144 WeakPolarHBondContact O-CB 3.17Å; N141-C144 PolarHBondContact O-N 3.43Å
142T91.8Very high87.9Confident132 Ų132109.7 Ų109.781%0.8158%0.577SS**THydrogen-bonded Turntrans-52.1128.517143.50000110.5C144T142-C144 VanDerWaalsContact C-N 3.35Å
143N90.9Very high88.7Confident176 Ų176113.2 Ų113.294%0.94159%0.589SS**THydrogen-bonded Turntrans7117-175.9-51.7-25.6000116N141N141-N143 PolarHBondContact O-N 2.99Å
144C92.9Very high89.1Confident73 Ų73107.8 Ų107.849%0.49357%0.574SS.*  trans-108.4142.3168.9-650000110.6T140 N141 T142T140-C144 WeakPolarHBondContact CB-O 3.36Å; T140-C144 PolarHBondContact OG1-O 3.02Å; N141-C144 WeakPolarHBondContact O-CB 3.17Å; N141-C144 PolarHBondContact O-N 3.43Å; T142-C144 VanDerWaalsContact C-N 3.35Å
145S91.9Very high88.9Confident97 Ų97106 Ų10668%0.67857%0.57SS**  trans-104155.7170.8530000111.2
146S91.7Very high88.5Confident39 Ų39105.3 Ų105.327%0.27357%0.571SS.*  trans-119.9140.1164.9490000108.3F137F137-S146 WeakPolarHBondContact CD1-OG 3.27Å
147E90.4Very high88.1Confident168 Ų168104.9 Ų104.979%0.78558%0.577SS**  trans-126.6138-176.4-65.5177.4-169.100108.4
148E88.2Confident87.4Confident100 Ų100102.5 Ų102.547%0.46757%0.572SS.*  trans-133135.8178-72.2-68.2164.200108.2L135 F137L135-E148 HydrophobicContact CD1-CB 3.94Å; L135-E148 HydrophobicContact CD2-CB 3.98Å; L135-E148 HydrophobicContact CD2-CG 4.21Å; F137-E148 HydrophobicContact CD1-CG 4.09Å; F137-E148 HydrophobicContact CE1-CB 3.92Å; F137-E148 HydrophobicContact CE1-CG 3.67Å; F137-E148 HydrophobicContact CZ-CB 4.14Å; F137-E148 HydrophobicContact CZ-CG 4.2Å
149E87.1Confident87Confident166 Ų166104.5 Ų104.578%0.77659%0.585SS**  trans-95132.9179.9-170.2175.9174.900110.2
150I85.1Confident86.4Confident68 Ų6898.3 Ų98.335%0.34956%0.555SS.*  trans-120.6125174.5-53.2176.7000108.6L129 L135 L152L129-I150 HydrophobicContact CD2-CG2 3.52Å; L135-I150 HydrophobicContact CD1-CD1 3.46Å; L135-I150 VanDerWaalsContact CD1-CD1 3.46Å; L135-I150 HydrophobicContact CD1-CG1 3.67Å; L135-I150 HydrophobicContact CG-CD1 4.41Å; I150-L152 HydrophobicContact CG2-CD2 4.46Å
151S86.9Confident85.6Confident58 Ų58102.9 Ų102.941%0.40657%0.566SS.*  trans-93.2131.3172.7-61.50000110.8S130S130-S151 PolarHBondContact OG-O 2.96Å
152L87.3Confident84.9Confident71 Ų71100.3 Ų100.337%0.37256%0.555SS.*BIsolated β-bridgetrans-108.8124.6173.7-65.9-178.7000109V128 L129 I150 V162 F164V128-L152 HydrophobicContact CG1-CB 3.95Å; V128-L152 HydrophobicContact CG1-CD2 4.25Å; V128-L152 WeakPolarHBondContact O-CA 3.25Å; L129-L152 HydrophobicContact CD2-CD2 4.09Å; L129-L152 HydrophobicContact CG-CD2 3.89Å; I150-L152 HydrophobicContact CG2-CD2 4.46Å; L152-V162 HydrophobicContact CD1-CB 4.48Å; L152-V162 HydrophobicContact CD1-CG1 3.88Å; L152-F164 HydrophobicContact CD1-CE2 4.48Å; L152-F164 HydrophobicContact CD1-CZ 4.01Å
153E88Confident84.3Confident120 Ų120100.6 Ų100.656%0.56155%0.547SS*.  trans-117.4122.5179.7-70.7175.3-152.700109V128 S130 P155V128-E153 WeakPolarHBondContact CA-O 3.28Å; V128-E153 WeakPolarHBondContact CG1-O 3.16Å; V128-E153 PolarHBondContact O-N 3.4Å; S130-E153 PolarHBondContact OG-OE1 3.11Å; E153-P155 WeakPolarHBondContact O-CD 3.44Å
154N85.6Confident83.7Confident68 Ų6899.8 Ų99.836%0.36454%0.535SS..  trans-78.7111.5174.1179.714.1000109.6A156 V158 V160N154-A156 PolarHBondContact O-N 2.96Å; N154-A156 WeakPolarHBondContact OD1-CB 3.43Å; N154-A156 PolarHBondContact OD1-N 3.19Å; N154-V158 PolarHBondContact ND2-O 3.13Å; N154-V160 HydrophobicContact CB-CG2 3.87Å; N154-V160 VanDerWaalsContact CG-CG2 3.5Å; N154-V160 VanDerWaalsContact OD1-CG1 3.25Å; N154-V160 WeakPolarHBondContact OD1-CG1 3.33Å
155P80Confident82.9Confident91 Ų9198.8 Ų98.859%0.59152%0.524SS*.  trans-79-5.817934.8-36.7000113.2E153E153-P155 WeakPolarHBondContact O-CD 3.44Å
156A77.9Confident82.3Confident34 Ų3498 Ų9828%0.28152%0.517SS..SBendtrans-93161.1-176.500000112.8N154 V158 V160N154-A156 PolarHBondContact O-N 2.96Å; N154-A156 WeakPolarHBondContact OD1-CB 3.43Å; N154-A156 PolarHBondContact OD1-N 3.19Å; A156-V158 VanDerWaalsContact C-N 3.28Å; A156-V158 HydrophobicContact CB-CG2 4.03Å; A156-V160 HydrophobicContact CB-CG1 4.46Å
157D77.2Confident81.3Confident164 Ų164103.2 Ų103.288%0.87754%0.541SS*.SBendtrans-85.6-0.2171.661.5-21.4000113.3
158V75.8Confident80.6Confident68 Ų6899 Ų9941%0.41254%0.535SS..SBendtrans-117.2154.5177.1-63.70000111.2N154 A156N154-V158 PolarHBondContact ND2-O 3.13Å; A156-V158 VanDerWaalsContact C-N 3.28Å; A156-V158 HydrophobicContact CB-CG2 4.03Å
159P79.8Confident79.5Confident120 Ų12099.1 Ų99.178%0.77954%0.538SS*.  trans-59.4142173.7-22.633.7000112.2
160V78.3Confident78.3Confident53 Ų5394.5 Ų94.532%0.32151%0.514SS..  trans-120.2145.7174.7-61.90000110.3N154 A156 V162N154-V160 HydrophobicContact CB-CG2 3.87Å; N154-V160 VanDerWaalsContact CG-CG2 3.5Å; N154-V160 VanDerWaalsContact OD1-CG1 3.25Å; N154-V160 WeakPolarHBondContact OD1-CG1 3.33Å; A156-V160 HydrophobicContact CB-CG1 4.46Å; V160-V162 HydrophobicContact CG2-CG2 4.44Å
161Y77.2Confident76.9Confident164 Ų16499 Ų9964%0.64355%0.551SS**  trans-99.3134.6171.1-70.2-89.8000109F52F52-Y161 HydrophobicContact CD1-CD2 4.15Å; F52-Y161 AromaticContact CD1-CE2 3.59Å; F52-Y161 HydrophobicContact CD1-CE2 3.59Å; F52-Y161 AromaticContact CD2-CD2 3.63Å; F52-Y161 HydrophobicContact CD2-CD2 3.63Å; F52-Y161 AromaticContact CD2-CE2 3.93Å; F52-Y161 HydrophobicContact CD2-CE2 3.93Å; F52-Y161 HydrophobicContact CD2-CG 4.27Å; F52-Y161 HydrophobicContact CE1-CD2 4.23Å; F52-Y161 AromaticContact CE1-CE2 3.54Å; F52-Y161 HydrophobicContact CE1-CE2 3.54Å; F52-Y161 AromaticContact CE1-CZ 3.75Å; F52-Y161 HydrophobicContact CE2-CD1 4.43Å; F52-Y161 AromaticContact CE2-CD2 3.71Å; F52-Y161 HydrophobicContact CE2-CD2 3.71Å; F52-Y161 AromaticContact CE2-CE2 3.86Å; F52-Y161 HydrophobicContact CE2-CE2 3.86Å; F52-Y161 HydrophobicContact CE2-CG 4.02Å; F52-Y161 AromaticContact CG-CD2 3.87Å; F52-Y161 HydrophobicContact CG-CD2 3.87Å; F52-Y161 AromaticContact CG-CE2 3.8Å; F52-Y161 HydrophobicContact CG-CE2 3.8Å; F52-Y161 HydrophobicContact CZ-CD1 4.49Å; F52-Y161 HydrophobicContact CZ-CD2 4.02Å; F52-Y161 HydrophobicContact CZ-CE1 4.18Å; F52-Y161 AromaticContact CZ-CE2 3.67Å; F52-Y161 HydrophobicContact CZ-CE2 3.67Å; F52-Y161 HydrophobicContact CZ-CG 4.42Å; F52-Y161 AromaticContact CZ-CZ 3.75Å
162V79.6Confident76.4Confident77 Ų77101.1 Ų101.147%0.46756%0.559SS.*  trans-121.5131.6178.1-175.90000108.7V128 L152 V160V128-V162 HydrophobicContact CG1-CG2 4.21Å; L152-V162 HydrophobicContact CD1-CB 4.48Å; L152-V162 HydrophobicContact CD1-CG1 3.88Å; V160-V162 HydrophobicContact CG2-CG2 4.44Å
163Q78Confident75.9Confident138 Ų138102.6 Ų102.665%0.64557%0.569SS**  trans-124.6135.2175.5-170.3176.87.500109.3I165Q163-I165 HydrophobicContact CB-CG1 4.39Å; Q163-I165 HydrophobicContact CG-CD1 4.19Å; Q163-I165 HydrophobicContact CG-CG1 3.76Å
164F78.4Confident75.2Confident159 Ų159101.7 Ų101.770%0.69757%0.569SS**  trans-92.7121.4169.8-68.4-85.9000108.6L152L152-F164 HydrophobicContact CD1-CE2 4.48Å; L152-F164 HydrophobicContact CD1-CZ 4.01Å
165I75.4Confident74.6Confident52 Ų52103.6 Ų103.627%0.26758%0.581SS.*  trans-125.7124.8-179.6-47.6172.9000108.7M66 Q163 L167 L169 Y170M66-I165 HydrophobicContact SD-CD1 4.44Å; M66-I165 HydrophobicContact SD-CG2 3.91Å; Q163-I165 HydrophobicContact CB-CG1 4.39Å; Q163-I165 HydrophobicContact CG-CD1 4.19Å; Q163-I165 HydrophobicContact CG-CG1 3.76Å; I165-L167 PolarHBondContact O-N 3.38Å; I165-L169 HydrophobicContact CG2-CD1 4.28Å; I165-Y170 HydrophobicContact CB-CE2 3.97Å; I165-Y170 HydrophobicContact CD1-CE2 4.41Å; I165-Y170 VanDerWaalsContact CD1-OH 3.27Å; I165-Y170 WeakPolarHBondContact CD1-OH 3.41Å; I165-Y170 HydrophobicContact CG2-CD2 4.25Å; I165-Y170 HydrophobicContact CG2-CE2 3.46Å; I165-Y170 VanDerWaalsContact CG2-CE2 3.46Å
166P79.8Confident74.3Confident81 Ų81104.4 Ų104.453%0.52658%0.581SS.*  trans-62.9127.1172.6-17.927.9000110.9A168 L169P166-A168 PolarHBondContact O-N 3.48Å; P166-A168 VanDerWaalsContact O-N 3.13Å; P166-L169 HydrophobicContact CB-CD1 4.34Å; P166-L169 HydrophobicContact CB-CG 4.19Å; P166-L169 HydrophobicContact CG-CD1 4.03Å; P166-L169 HydrophobicContact CG-CG 4.39Å; P166-L169 WeakPolarHBondContact O-CB 3.47Å; P166-L169 PolarHBondContact O-N 3.29Å
167L72.2Confident74Confident147 Ų147109.1 Ų109.177%0.7760%0.601SS**G310 helixtrans-60.9-25.4179.9-158.678.8000112.9I165 L169 Y170I165-L167 PolarHBondContact O-N 3.38Å; L167-L169 PolarHBondContact O-N 3.02Å; L167-L169 VanDerWaalsContact O-N 3.11Å; L167-Y170 WeakPolarHBondContact O-CB 3.41Å; L167-Y170 PolarHBondContact O-N 2.97Å
168A75Confident73.8Confident80 Ų80105.2 Ų105.266%0.66158%0.581SS**G310 helixtrans-64-10.1174.200000113.9P166 S171P166-A168 PolarHBondContact O-N 3.48Å; P166-A168 VanDerWaalsContact O-N 3.13Å; A168-S171 PolarHBondContact O-OG 3.28Å
169L64.1Low73.6Confident103 Ų103108.1 Ų108.154%0.53959%0.594SS.*G310 helixtrans-88.2-5.6171.7-56.4179.9000112.7M66 I165 P166 L167M66-L169 HydrophobicContact CE-CB 3.78Å; M66-L169 WeakPolarHBondContact CE-O 3.34Å; I165-L169 HydrophobicContact CG2-CD1 4.28Å; P166-L169 HydrophobicContact CB-CD1 4.34Å; P166-L169 HydrophobicContact CB-CG 4.19Å; P166-L169 HydrophobicContact CG-CD1 4.03Å; P166-L169 HydrophobicContact CG-CG 4.39Å; P166-L169 WeakPolarHBondContact O-CB 3.47Å; P166-L169 PolarHBondContact O-N 3.29Å; L167-L169 PolarHBondContact O-N 3.02Å; L167-L169 VanDerWaalsContact O-N 3.11Å
170Y62.2Low73.1Confident69 Ų69107.1 Ų107.127%0.27158%0.578SS.*  trans-102.620.3178.2-74.2-99.4000112.5M66 W71 D74 I165 L167M66-Y170 HydrophobicContact CE-CD2 4.27Å; M66-Y170 HydrophobicContact CE-CE2 4.2Å; M66-Y170 HydrophobicContact SD-CE1 4.49Å; M66-Y170 HydrophobicContact SD-CE2 3.99Å; W71-Y170 HydrophobicContact CB-CD1 3.46Å; W71-Y170 VanDerWaalsContact CB-CD1 3.46Å; W71-Y170 HydrophobicContact CB-CE1 3.51Å; W71-Y170 HydrophobicContact CB-CG 4.38Å; W71-Y170 HydrophobicContact CE3-CD1 4.45Å; W71-Y170 HydrophobicContact CG-CD1 4.34Å; D74-Y170 PolarHBondContact OD2-OH 3.26Å; I165-Y170 HydrophobicContact CB-CE2 3.97Å; I165-Y170 HydrophobicContact CD1-CE2 4.41Å; I165-Y170 VanDerWaalsContact CD1-OH 3.27Å; I165-Y170 WeakPolarHBondContact CD1-OH 3.41Å; I165-Y170 HydrophobicContact CG2-CD2 4.25Å; I165-Y170 HydrophobicContact CG2-CE2 3.46Å; I165-Y170 VanDerWaalsContact CG2-CE2 3.46Å; L167-Y170 WeakPolarHBondContact O-CB 3.41Å; L167-Y170 PolarHBondContact O-N 2.97Å
171S57.2Low72.6Confident162 Ų162112 Ų112100%1.13360%0.602SS**  trans-118.40-174.267.30000114A168A168-S171 PolarHBondContact O-OG 3.28Å

Retrieved 171 of 171 residues in 881.3 ms (Link to these results)

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