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DNA-directed RNA polymerase II subunit RPB3

Core component of RNA polymerase II (Pol II), a DNA-dependent RNA polymerase which synthesizes mRNA precursors and many functional non-coding RNAs using the four ribonucleoside triphosphates as substrates.

AlphaFold DB , UniProt , Accession P19387, Species HUMAN (Homo sapiens, Human), Gene POLR2C, Length 275 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
1M51.1Low88.4Confident224 Ų224124.4 Ų124.4100%1.10365%0.65SS**  0141.20-69.3179.3-177.300107.4Y3M1-Y3 PolarHBondContact O-N 3.38Å
2P83.1Confident89Confident123 Ų123119.6 Ų119.680%0.79963%0.63SS**  trans-73.2-2.4-174.629.3-34000114.1
3Y85.2Confident89.6Confident197 Ų197116.6 Ų116.677%0.77361%0.611SS**SBendtrans-117.3157-177.4-59.5-69000110.6M1M1-Y3 PolarHBondContact O-N 3.38Å
4A86.7Confident90Very high90 Ų90114.9 Ų114.974%0.74460%0.602SS**  trans-59.2141176.900000111.5
5N91.2Very high90.3Very high66 Ų66110.7 Ų110.735%0.35358%0.583SS.*  trans-69.4162.8164.946.79.1000110.7P7 N25 D27N5-P7 VanDerWaalsContact O-CD 3.25Å; N5-P7 WeakPolarHBondContact O-CD 3.32Å; N5-N25 WeakPolarHBondContact CB-O 3.42Å; N5-N25 PolarHBondContact ND2-O 3.27Å; N5-D27 PolarHBondContact ND2-OD2 2.89Å
6Q93.6Very high90.2Very high168 Ų168113.1 Ų113.179%0.78560%0.596SS**  trans-111.888.5-177.8-71.6156.112.300108.4N25Q6-N25 WeakPolarHBondContact O-CB 3.46Å
7P94.9Very high90.3Very high72 Ų72114.6 Ų114.647%0.46860%0.599SS.*  trans-69.9144.7-177.328.9-35.3000111.3N5 I23 E24N5-P7 VanDerWaalsContact O-CD 3.25Å; N5-P7 WeakPolarHBondContact O-CD 3.32Å; P7-I23 HydrophobicContact CB-CG2 4.33Å; P7-E24 VanDerWaalsContact CA-O 3.22Å; P7-E24 WeakPolarHBondContact CA-O 3.4Å
8T96.2Very high90.6Very high66 Ų66109.8 Ų109.841%0.40557%0.574SS.*EExtended strand (participates in β ladder)trans-115144174.244.80000109.8I23 E24 N25T8-I23 WeakPolarHBondContact O-CA 3.47Å; T8-E24 PolarHBondContact N-O 2.66Å; T8-E24 VanDerWaalsContact N-O 3.08Å; T8-E24 PolarHBondContact O-N 2.79Å; T8-N25 PolarHBondContact OG1-ND2 3.29Å
9V96.4Very high90.9Very high96 Ų96104.3 Ų104.358%0.58255%0.546SS*.EExtended strand (participates in β ladder)trans-122.2131.6-179.3-177.40000109.4F21 I22 I23V9-F21 HydrophobicContact CG1-CB 4.46Å; V9-F21 HydrophobicContact CG1-CD2 4.18Å; V9-I22 WeakPolarHBondContact CA-O 3.24Å; V9-I23 HydrophobicContact CG2-CG1 4.39Å
10R96.8Very high91.3Very high166 Ų166100.5 Ų100.563%0.62653%0.525SS*.EExtended strand (participates in β ladder)trans-126.5119.6172.8-179.8-178.8173.3-160.8-3.4109.7F21 I22R10-F21 CarbonylContact O-C 3.59Å; R10-F21 VanDerWaalsContact O-CA 3.28Å; R10-F21 WeakPolarHBondContact O-CA 3.22Å; R10-F21 WeakPolarHBondContact O-CB 3.23Å; R10-I22 PolarHBondContact N-O 3.09Å; R10-I22 PolarHBondContact O-N 2.95Å
11I97Very high91.6Very high100 Ų10096.1 Ų96.151%0.51350%0.502SS..EExtended strand (participates in β ladder)trans-82130.6173.9-59169.2000108.3L14 V19 F21I11-L14 HydrophobicContact CG2-CB 4.27Å; I11-V19 HydrophobicContact CG2-CG2 4.38Å; I11-F21 HydrophobicContact CG1-CB 4.23Å
12T96.2Very high93.8Very high67 Ų6786 Ų8641%0.41145%0.452SS..EExtended strand (participates in β ladder)trans-102.3-32.7176.353.60000111.8K20 I22T12-K20 PolarHBondContact N-O 2.72Å; T12-K20 WeakPolarHBondContact OG1-CB 3.39Å; T12-K20 VanDerWaalsContact OG1-CG 3.32Å; T12-K20 WeakPolarHBondContact OG1-CG 3.3Å; T12-K20 PolarHBondContact OG1-O 2.98Å; T12-K20 VanDerWaalsContact OG1-O 3.1Å; T12-I22 HydrophobicContact CG2-CD1 3.99Å; T12-I22 HydrophobicContact CG2-CG1 4.22Å
13E96.6Very high94.5Very high81 Ų8180.9 Ų80.938%0.37942%0.417SS..EExtended strand (participates in β ladder)trans-147.8138.5-179.3-165.4178.9170.300109.6T15 K20E13-T15 HydrophobicContact CG-CG2 4.23Å; E13-K20 HydrophobicContact CB-CB 3.76Å; E13-K20 PolarHBondContact N-O 2.95Å; E13-K20 PolarHBondContact O-N 3.17Å
14L95.3Very high95Very high92 Ų9274.2 Ų74.248%0.48239%0.393SS..EExtended strand (participates in β ladder)trans-138.5116.5175.1179.966.3000108.2I11 V19I11-L14 HydrophobicContact CG2-CB 4.27Å; L14-V19 HydrophobicContact CD1-CB 4.07Å; L14-V19 HydrophobicContact CD1-CG2 3.77Å
15T94.1Very high95.4Very high53 Ų5373.6 Ų73.633%0.32538%0.378SS..  trans-128.1175.5175.368.90000109.7E13 E17 N18E13-T15 HydrophobicContact CG-CG2 4.23Å; T15-E17 PolarHBondContact O-N 3.28Å; T15-E17 PolarHBondContact OG1-N 2.72Å; T15-N18 PolarHBondContact N-O 3.21Å; T15-N18 PolarHBondContact OG1-N 2.8Å; T15-N18 PolarHBondContact OG1-O 3.15Å; T15-N18 PolarHBondContact OG1-OD1 2.87Å
16D88.9Confident95.5Very high148 Ų14870.9 Ų70.979%0.79136%0.364SS*.SBendtrans-69.7-24.1173.5-69.2-37.8000112.3P241D16-P241 WeakPolarHBondContact O-CD 3.48Å; D16-P241 WeakPolarHBondContact O-CG 3.45Å
17E91.5Very high95.6Very high139 Ų13967.2 Ų67.265%0.6535%0.349SS*.SBendtrans-93.2-36.5-178.2-65.3-174.5165.100112.7T15 E234 S235 P241T15-E17 PolarHBondContact O-N 3.28Å; T15-E17 PolarHBondContact OG1-N 2.72Å; E17-E234 WeakPolarHBondContact O-CA 3.5Å; E17-S235 PolarHBondContact O-N 3.24Å; E17-P241 VanDerWaalsContact C-CG 3.48Å; E17-P241 WeakPolarHBondContact O-CG 3.37Å
18N95.6Very high95.7Very high28 Ų2866.5 Ų66.515%0.1534%0.341CS..EExtended strand (participates in β ladder)trans-142.7161-173.970.323.9000114.2T15 V233 E234T15-N18 PolarHBondContact N-O 3.21Å; T15-N18 PolarHBondContact OG1-N 2.8Å; T15-N18 PolarHBondContact OG1-O 3.15Å; T15-N18 PolarHBondContact OG1-OD1 2.87Å; N18-V233 CarbonylContact C-O 3.49Å; N18-V233 VanDerWaalsContact CA-O 3.24Å; N18-V233 WeakPolarHBondContact CA-O 3.5Å; N18-E234 HydrophobicContact CB-CB 4.42Å
19V97.4Very high95.7Very high6 Ų667 Ų674%0.03635%0.352CS..EExtended strand (participates in β ladder)trans-130.2121.3167.465.40000109.8I11 L14 F21 V233 P241 V245I11-V19 HydrophobicContact CG2-CG2 4.38Å; L14-V19 HydrophobicContact CD1-CB 4.07Å; L14-V19 HydrophobicContact CD1-CG2 3.77Å; V19-F21 HydrophobicContact CG1-CD1 4.17Å; V19-F21 HydrophobicContact CG1-CE1 4.14Å; V19-F21 HydrophobicContact CG2-CD1 4.15Å; V19-V233 HydrophobicContact CG1-CB 3.94Å; V19-V233 PolarHBondContact N-O 3.1Å; V19-V233 PolarHBondContact O-N 2.98Å; V19-P241 HydrophobicContact CB-CB 3.99Å; V19-P241 HydrophobicContact CG1-CB 3.88Å; V19-V245 HydrophobicContact CG1-CG2 3.95Å
20K98Very high95.6Very high28 Ų2865.3 Ų65.312%0.12234%0.342CS..EExtended strand (participates in β ladder)trans-105.5124.8175.8-164.8-177.7-79.2-166.60109.3T12 E13 E207 Y208 Y231 N232T12-K20 PolarHBondContact N-O 2.72Å; T12-K20 WeakPolarHBondContact OG1-CB 3.39Å; T12-K20 VanDerWaalsContact OG1-CG 3.32Å; T12-K20 WeakPolarHBondContact OG1-CG 3.3Å; T12-K20 PolarHBondContact OG1-O 2.98Å; T12-K20 VanDerWaalsContact OG1-O 3.1Å; E13-K20 HydrophobicContact CB-CB 3.76Å; E13-K20 PolarHBondContact N-O 2.95Å; E13-K20 PolarHBondContact O-N 3.17Å; K20-E207 IonicContact NZ-OE1 2.69Å; K20-E207 PolarHBondContact NZ-OE1 3.19Å; K20-E207 IonicContact NZ-OE2 3.42Å; K20-E207 PolarHBondContact NZ-OE2 3.13Å; K20-Y208 HydrophobicContact CD-CE1 4.35Å; K20-Y208 WeakPolarHBondContact CD-OH 3.24Å; K20-Y208 WeakPolarHBondContact CE-OH 3.38Å; K20-Y231 VanDerWaalsContact CA-O 3.29Å; K20-Y231 WeakPolarHBondContact CA-O 3.11Å; K20-Y231 WeakPolarHBondContact CG-O 3.38Å; K20-N232 HydrophobicContact CG-CB 4.35Å
21F97.9Very high95.6Very high9 Ų957.4 Ų57.44%0.03931%0.312CS..EExtended strand (participates in β ladder)trans-151.8161.4-177.564.4-88.7000112.2V9 R10 I11 V19 I23 F38 Y231 V233 V245V9-F21 HydrophobicContact CG1-CB 4.46Å; V9-F21 HydrophobicContact CG1-CD2 4.18Å; R10-F21 CarbonylContact O-C 3.59Å; R10-F21 VanDerWaalsContact O-CA 3.28Å; R10-F21 WeakPolarHBondContact O-CA 3.22Å; R10-F21 WeakPolarHBondContact O-CB 3.23Å; I11-F21 HydrophobicContact CG1-CB 4.23Å; V19-F21 HydrophobicContact CG1-CD1 4.17Å; V19-F21 HydrophobicContact CG1-CE1 4.14Å; V19-F21 HydrophobicContact CG2-CD1 4.15Å; F21-I23 HydrophobicContact CD2-CD1 4.49Å; F21-I23 HydrophobicContact CD2-CG1 3.89Å; F21-I23 HydrophobicContact CE2-CD1 3.79Å; F21-I23 HydrophobicContact CE2-CG1 3.68Å; F21-F38 HydrophobicContact CZ-CE2 4.16Å; F21-F38 HydrophobicContact CZ-CZ 4.15Å; F21-Y231 HydrophobicContact CE1-CG 4.43Å; F21-Y231 HydrophobicContact CE2-CD1 4.37Å; F21-Y231 AromaticContact CE2-CD2 3.93Å; F21-Y231 HydrophobicContact CE2-CD2 3.93Å; F21-Y231 AromaticContact CE2-CG 3.78Å; F21-Y231 HydrophobicContact CE2-CG 3.78Å; F21-Y231 AromaticContact CZ-CD1 4Å; F21-Y231 HydrophobicContact CZ-CD1 4Å; F21-Y231 HydrophobicContact CZ-CD2 4.35Å; F21-Y231 AromaticContact CZ-CG 3.73Å; F21-Y231 HydrophobicContact CZ-CG 3.73Å; F21-Y231 PolarHBondContact N-O 3.46Å; F21-Y231 PolarHBondContact O-N 2.92Å; F21-V233 HydrophobicContact CE1-CG2 3.91Å; F21-V233 HydrophobicContact CZ-CG2 4.38Å; F21-V245 HydrophobicContact CE1-CG2 4.05Å; F21-V245 HydrophobicContact CZ-CG2 4.45Å
22I97.9Very high95.6Very high11 Ų1155.7 Ų55.76%0.05630%0.304CS..EExtended strand (participates in β ladder)trans-116130.2179.4-52.4173.8000108V9 R10 T12 E24 F229 Y230V9-I22 WeakPolarHBondContact CA-O 3.24Å; R10-I22 PolarHBondContact N-O 3.09Å; R10-I22 PolarHBondContact O-N 2.95Å; T12-I22 HydrophobicContact CG2-CD1 3.99Å; T12-I22 HydrophobicContact CG2-CG1 4.22Å; I22-E24 HydrophobicContact CG2-CG 3.97Å; I22-F229 WeakPolarHBondContact CA-O 3.24Å; I22-Y230 HydrophobicContact CD1-CD1 3.89Å; I22-Y230 HydrophobicContact CD1-CE1 3.73Å; I22-Y230 HydrophobicContact CG1-CD1 3.73Å; I22-Y230 HydrophobicContact CG1-CE1 4.05Å; I22-Y230 HydrophobicContact CG2-CD1 4.4Å; I22-Y230 HydrophobicContact CG2-CE1 4.38Å
23I97.2Very high95.7Very high15 Ų1554.7 Ų54.78%0.07730%0.299CS..EExtended strand (participates in β ladder)trans-104.3129167.4-55.9-177.9000108P7 T8 V9 F21 T26 I34 F229 Y231P7-I23 HydrophobicContact CB-CG2 4.33Å; T8-I23 WeakPolarHBondContact O-CA 3.47Å; V9-I23 HydrophobicContact CG2-CG1 4.39Å; F21-I23 HydrophobicContact CD2-CD1 4.49Å; F21-I23 HydrophobicContact CD2-CG1 3.89Å; F21-I23 HydrophobicContact CE2-CD1 3.79Å; F21-I23 HydrophobicContact CE2-CG1 3.68Å; I23-T26 HydrophobicContact CG2-CG2 3.61Å; I23-I34 HydrophobicContact CD1-CD1 4.47Å; I23-F229 PolarHBondContact N-O 2.85Å; I23-F229 PolarHBondContact O-N 2.95Å; I23-Y231 HydrophobicContact CD1-CE2 4.06Å; I23-Y231 HydrophobicContact CG1-CE2 4.36Å
24E95.6Very high95.7Very high57 Ų5751.6 Ų51.627%0.26629%0.286SS..EExtended strand (participates in β ladder)trans-117.7162.6174.5-48.9-175.9146.900110.7P7 T8 I22 T26 E227 R228P7-E24 VanDerWaalsContact CA-O 3.22Å; P7-E24 WeakPolarHBondContact CA-O 3.4Å; T8-E24 PolarHBondContact N-O 2.66Å; T8-E24 VanDerWaalsContact N-O 3.08Å; T8-E24 PolarHBondContact O-N 2.79Å; I22-E24 HydrophobicContact CG2-CG 3.97Å; E24-T26 VanDerWaalsContact C-N 3.33Å; E24-T26 PolarHBondContact O-N 2.83Å; E24-E227 VanDerWaalsContact CA-O 3.31Å; E24-E227 WeakPolarHBondContact CA-O 3.41Å; E24-R228 HydrophobicContact CG-CG 4.11Å; E24-R228 IonicContact OE1-CZ 3.32Å; E24-R228 IonicContact OE1-NE 3.06Å; E24-R228 PolarHBondContact OE1-NE 2.72Å; E24-R228 IonicContact OE1-NH2 2.8Å; E24-R228 PolarHBondContact OE1-NH2 2.9Å
25N94.3Very high95.8Very high78 Ų7851.1 Ų51.142%0.41728%0.277SS..SBendtrans58.938.2175.9-57.4-58.3000114.2N5 Q6 T8 E227N5-N25 WeakPolarHBondContact CB-O 3.42Å; N5-N25 PolarHBondContact ND2-O 3.27Å; Q6-N25 WeakPolarHBondContact O-CB 3.46Å; T8-N25 PolarHBondContact OG1-ND2 3.29Å; N25-E227 PolarHBondContact N-O 2.93Å
26T94.8Very high95.9Very high9 Ų956.6 Ų56.66%0.05529%0.292CS..  trans-127.5171.4174.1-158.40000112I23 E24 A31 F229I23-T26 HydrophobicContact CG2-CG2 3.61Å; E24-T26 VanDerWaalsContact C-N 3.33Å; E24-T26 PolarHBondContact O-N 2.83Å; T26-A31 HydrophobicContact CG2-CB 4.22Å; T26-F229 HydrophobicContact CG2-CD2 3.5Å; T26-F229 VanDerWaalsContact CG2-CD2 3.5Å; T26-F229 HydrophobicContact CG2-CE2 3.39Å; T26-F229 HydrophobicContact CG2-CZ 4.46Å; T26-F229 WeakPolarHBondContact O-CE2 3.27Å
27D94.8Very high96.3Very high91 Ų9149.8 Ų49.849%0.48726%0.255SS..  trans-91.7146.1176.9-60.5-59.8000110.9N5 A29 V30 A31N5-D27 PolarHBondContact ND2-OD2 2.89Å; D27-A29 PolarHBondContact O-N 2.76Å; D27-A29 VanDerWaalsContact O-N 3.1Å; D27-V30 HydrophobicContact CB-CG2 4.3Å; D27-V30 PolarHBondContact O-N 2.91Å; D27-A31 PolarHBondContact O-N 2.84Å
28L96.3Very high96.6Very high56 Ų5643.2 Ų43.229%0.29323%0.225SC..Hα-helixtrans-53.8-34.3175.817561.9000112.7N32 F184 Y186 P226 F229L28-N32 VanDerWaalsContact O-CB 3.3Å; L28-N32 WeakPolarHBondContact O-CB 3.26Å; L28-N32 PolarHBondContact O-N 3.09Å; L28-F184 HydrophobicContact CD1-CE1 4.13Å; L28-F184 HydrophobicContact CD1-CZ 3.87Å; L28-Y186 HydrophobicContact CD1-CD1 3.91Å; L28-Y186 HydrophobicContact CD1-CE1 3.78Å; L28-Y186 HydrophobicContact CD2-CE1 4.36Å; L28-P226 HydrophobicContact CB-CB 4.3Å; L28-P226 HydrophobicContact CB-CG 4.46Å; L28-P226 HydrophobicContact CD2-CG 4.47Å; L28-F229 HydrophobicContact CB-CE1 4.03Å; L28-F229 HydrophobicContact CB-CZ 4.06Å; L28-F229 HydrophobicContact CD1-CD1 4.41Å; L28-F229 HydrophobicContact CD1-CE1 3.67Å; L28-F229 HydrophobicContact CG-CE1 4.46Å
29A96.5Very high96.6Very high76 Ų7644.6 Ų44.663%0.62823%0.232SC*.Hα-helixtrans-64.9-41.9176.900000112.4D27 S33D27-A29 PolarHBondContact O-N 2.76Å; D27-A29 VanDerWaalsContact O-N 3.1Å; A29-S33 VanDerWaalsContact O-CB 3.28Å; A29-S33 WeakPolarHBondContact O-CB 3.48Å; A29-S33 PolarHBondContact O-N 2.98Å
30V96.1Very high96.6Very high61 Ų6145.5 Ų45.537%0.3724%0.24SC..Hα-helixtrans-69.5-47178.2176.70000109.7D27 N32 S33 I34D27-V30 HydrophobicContact CB-CG2 4.3Å; D27-V30 PolarHBondContact O-N 2.91Å; V30-N32 PolarHBondContact O-N 3.33Å; V30-S33 WeakPolarHBondContact O-CB 2.98Å; V30-S33 PolarHBondContact O-N 2.93Å; V30-S33 VanDerWaalsContact O-N 3.15Å; V30-I34 HydrophobicContact CG1-CD1 3.99Å; V30-I34 WeakPolarHBondContact O-CG1 3.24Å; V30-I34 PolarHBondContact O-N 3.19Å
31A96.6Very high96.5Very high0 Ų046 Ų460%024%0.243CC..Hα-helixtrans-54.4-53.7176.100000111.3T26 D27 S33 I34 R35 F184 F229 Y231T26-A31 HydrophobicContact CG2-CB 4.22Å; D27-A31 PolarHBondContact O-N 2.84Å; A31-S33 VanDerWaalsContact C-N 3.32Å; A31-S33 PolarHBondContact O-N 3.37Å; A31-I34 PolarHBondContact O-N 3.29Å; A31-R35 PolarHBondContact O-N 2.97Å; A31-F184 HydrophobicContact CB-CE2 4.01Å; A31-F184 HydrophobicContact CB-CZ 4.22Å; A31-F229 HydrophobicContact CB-CB 4.45Å; A31-F229 HydrophobicContact CB-CD1 3.74Å; A31-F229 HydrophobicContact CB-CD2 3.96Å; A31-F229 HydrophobicContact CB-CE1 3.94Å; A31-F229 HydrophobicContact CB-CE2 4.13Å; A31-F229 HydrophobicContact CB-CG 3.76Å; A31-F229 HydrophobicContact CB-CZ 4.12Å; A31-Y231 WeakPolarHBondContact CA-OH 3.38Å; A31-Y231 VanDerWaalsContact CB-OH 3.23Å; A31-Y231 WeakPolarHBondContact CB-OH 3.47Å; A31-Y231 PolarHBondContact O-OH 2.78Å
32N97Very high96.4Very high64 Ų6445.6 Ų45.634%0.34224%0.241SC..Hα-helixtrans-65.2-34.7178.1-174.139000112.5L28 V30 R35 R36L28-N32 VanDerWaalsContact O-CB 3.3Å; L28-N32 WeakPolarHBondContact O-CB 3.26Å; L28-N32 PolarHBondContact O-N 3.09Å; V30-N32 PolarHBondContact O-N 3.33Å; N32-R35 WeakPolarHBondContact O-CB 3.48Å; N32-R35 PolarHBondContact O-N 2.91Å; N32-R36 WeakPolarHBondContact O-CG 3.28Å; N32-R36 PolarHBondContact O-N 3.47Å
33S97.1Very high96.3Very high46 Ų4645.9 Ų45.932%0.32224%0.243SC..Hα-helixtrans-61.3-46.1174.6-172.10000111.3A29 V30 A31 R35 R36 V37A29-S33 VanDerWaalsContact O-CB 3.28Å; A29-S33 WeakPolarHBondContact O-CB 3.48Å; A29-S33 PolarHBondContact O-N 2.98Å; V30-S33 WeakPolarHBondContact O-CB 2.98Å; V30-S33 PolarHBondContact O-N 2.93Å; V30-S33 VanDerWaalsContact O-N 3.15Å; A31-S33 VanDerWaalsContact C-N 3.32Å; A31-S33 PolarHBondContact O-N 3.37Å; S33-R35 VanDerWaalsContact C-N 3.32Å; S33-R35 PolarHBondContact O-N 2.87Å; S33-R36 PolarHBondContact O-N 3.17Å; S33-V37 VanDerWaalsContact O-CG2 3.26Å; S33-V37 WeakPolarHBondContact O-CG2 3.35Å; S33-V37 PolarHBondContact O-N 2.93Å
34I96.8Very high96.3Very high17 Ų1745.4 Ų45.49%0.08724%0.241CC..Hα-helixtrans-58.2-46.5175.8-68.3166.6000110.2I23 V30 A31 R36 V37 F38 L249 L252I23-I34 HydrophobicContact CD1-CD1 4.47Å; V30-I34 HydrophobicContact CG1-CD1 3.99Å; V30-I34 WeakPolarHBondContact O-CG1 3.24Å; V30-I34 PolarHBondContact O-N 3.19Å; A31-I34 PolarHBondContact O-N 3.29Å; I34-R36 VanDerWaalsContact C-N 3.31Å; I34-R36 PolarHBondContact O-N 3.05Å; I34-V37 PolarHBondContact O-N 3.41Å; I34-V37 VanDerWaalsContact O-N 3.11Å; I34-F38 HydrophobicContact CG2-CD1 4.38Å; I34-F38 HydrophobicContact CG2-CD2 4.48Å; I34-F38 HydrophobicContact CG2-CE1 3.58Å; I34-F38 HydrophobicContact CG2-CE2 3.74Å; I34-F38 HydrophobicContact CG2-CZ 3.22Å; I34-F38 WeakPolarHBondContact O-CG 3.33Å; I34-F38 PolarHBondContact O-N 3.36Å; I34-L249 HydrophobicContact CD1-CD2 3.95Å; I34-L249 HydrophobicContact CG1-CD2 4.01Å; I34-L249 HydrophobicContact CG2-CD2 4.3Å; I34-L252 HydrophobicContact CG1-CD2 4.12Å
35R97Very high96.3Very high82 Ų8242.8 Ų42.831%0.30923%0.229SC..Hα-helixtrans-55.5-44.8176.3-169.6-158.7170.2-129.3-4112.2A31 N32 S33 V37 F38 V182 F184 Y231A31-R35 PolarHBondContact O-N 2.97Å; N32-R35 WeakPolarHBondContact O-CB 3.48Å; N32-R35 PolarHBondContact O-N 2.91Å; S33-R35 VanDerWaalsContact C-N 3.32Å; S33-R35 PolarHBondContact O-N 2.87Å; R35-V37 VanDerWaalsContact C-N 3.33Å; R35-V37 PolarHBondContact O-N 2.83Å; R35-F38 WeakPolarHBondContact O-CB 3.18Å; R35-F38 PolarHBondContact O-N 2.93Å; R35-V182 HydrophobicContact CG-CB 4.44Å; R35-V182 HydrophobicContact CG-CG1 3.59Å; R35-V182 PolarHBondContact NE-O 3.29Å; R35-F184 HydrophobicContact CG-CB 4.36Å; R35-Y231 HydrophobicContact CB-CE1 4.04Å; R35-Y231 HydrophobicContact CG-CE1 4.48Å
36R97.1Very high96.5Very high168 Ų16839.1 Ų39.163%0.63421%0.209SC*.Hα-helixtrans-66.7-35.2179.2-70.8179.572-177.44.1112.4N32 S33 I34 I39 A40N32-R36 WeakPolarHBondContact O-CG 3.28Å; N32-R36 PolarHBondContact O-N 3.47Å; S33-R36 PolarHBondContact O-N 3.17Å; I34-R36 VanDerWaalsContact C-N 3.31Å; I34-R36 PolarHBondContact O-N 3.05Å; R36-I39 PolarHBondContact O-N 3.07Å; R36-A40 WeakPolarHBondContact O-CB 3.49Å; R36-A40 PolarHBondContact O-N 2.82Å
37V97.4Very high96.6Very high4 Ų438.8 Ų38.82%0.02421%0.207CC..Hα-helixtrans-67.6-39.9177.5176.80000110.7S33 I34 R35 I39 A40 E41 V42 A248 L252S33-V37 VanDerWaalsContact O-CG2 3.26Å; S33-V37 WeakPolarHBondContact O-CG2 3.35Å; S33-V37 PolarHBondContact O-N 2.93Å; I34-V37 PolarHBondContact O-N 3.41Å; I34-V37 VanDerWaalsContact O-N 3.11Å; R35-V37 VanDerWaalsContact C-N 3.33Å; R35-V37 PolarHBondContact O-N 2.83Å; V37-I39 PolarHBondContact O-N 2.74Å; V37-A40 PolarHBondContact O-N 2.78Å; V37-E41 HydrophobicContact CG1-CB 4.07Å; V37-E41 PolarHBondContact O-N 3.06Å; V37-V42 PolarHBondContact O-N 3.19Å; V37-A248 HydrophobicContact CB-CB 4.35Å; V37-A248 HydrophobicContact CG1-CB 3.63Å; V37-A248 WeakPolarHBondContact CG1-O 3.02Å; V37-L252 HydrophobicContact CG2-CB 4.26Å; V37-L252 HydrophobicContact CG2-CD1 4.06Å; V37-L252 HydrophobicContact CG2-CD2 4.44Å; V37-L252 HydrophobicContact CG2-CG 4.48Å
38F97.1Very high96.8Very high1 Ų137.8 Ų37.80%0.00420%0.202CC..Hα-helixtrans-51.2-41.6174.2-63.2-25.6000112.2F21 I34 R35 T179 V182 Y231 V233 I244 V245 A248F21-F38 HydrophobicContact CZ-CE2 4.16Å; F21-F38 HydrophobicContact CZ-CZ 4.15Å; I34-F38 HydrophobicContact CG2-CD1 4.38Å; I34-F38 HydrophobicContact CG2-CD2 4.48Å; I34-F38 HydrophobicContact CG2-CE1 3.58Å; I34-F38 HydrophobicContact CG2-CE2 3.74Å; I34-F38 HydrophobicContact CG2-CZ 3.22Å; I34-F38 WeakPolarHBondContact O-CG 3.33Å; I34-F38 PolarHBondContact O-N 3.36Å; R35-F38 WeakPolarHBondContact O-CB 3.18Å; R35-F38 PolarHBondContact O-N 2.93Å; F38-T179 HydrophobicContact CB-CG2 4.31Å; F38-V182 HydrophobicContact CB-CG2 4.31Å; F38-V182 HydrophobicContact CD2-CG1 3.99Å; F38-Y231 AromaticContact CE2-CD1 3.86Å; F38-Y231 HydrophobicContact CE2-CD1 3.86Å; F38-Y231 AromaticContact CE2-CE1 3.98Å; F38-Y231 HydrophobicContact CE2-CE1 3.98Å; F38-V233 HydrophobicContact CD2-CG2 3.73Å; F38-V233 HydrophobicContact CE2-CG2 3.63Å; F38-V233 HydrophobicContact CZ-CG2 4.44Å; F38-I244 HydrophobicContact CD1-CG2 4.49Å; F38-V245 HydrophobicContact CE1-CB 4.19Å; F38-V245 HydrophobicContact CE1-CG1 4.14Å; F38-V245 HydrophobicContact CE1-CG2 4.1Å; F38-V245 HydrophobicContact CZ-CB 4.35Å; F38-V245 HydrophobicContact CZ-CG1 4.05Å; F38-V245 HydrophobicContact CZ-CG2 3.96Å; F38-A248 HydrophobicContact CD1-CB 3.32Å; F38-A248 HydrophobicContact CE1-CB 3.57Å
39I96.9Very high96.8Very high57 Ų5739.8 Ų39.829%0.29221%0.206SC..Hα-helixtrans-81.2-44.3-176.3-59.9168.5000112R36 V37 N177 V182R36-I39 PolarHBondContact O-N 3.07Å; V37-I39 PolarHBondContact O-N 2.74Å; I39-N177 PolarHBondContact O-OD1 2.65Å; I39-V182 HydrophobicContact CD1-CG2 4.45Å; I39-V182 HydrophobicContact CG1-CG2 3.93Å
40A95.7Very high96.9Very high25 Ų2538 Ų3821%0.20719%0.187CC..Hα-helixtrans-107.4-21.7-160.400000115.1R36 V37 F169 G170 K171R36-A40 WeakPolarHBondContact O-CB 3.49Å; R36-A40 PolarHBondContact O-N 2.82Å; V37-A40 PolarHBondContact O-N 2.78Å; A40-F169 WeakPolarHBondContact O-CD2 3.34Å; A40-G170 PolarHBondContact O-N 2.95Å; A40-K171 HydrophobicContact CB-CB 4.46Å; A40-K171 PolarHBondContact O-N 3.48Å
41E96.2Very high97Very high40 Ų4038.8 Ų38.819%0.18719%0.187CC..THydrogen-bonded Turntrans-134.41.5-161.4-63.2-175.8159.700114.6V37 P43 K171 K255V37-E41 HydrophobicContact CG1-CB 4.07Å; V37-E41 PolarHBondContact O-N 3.06Å; E41-P43 WeakPolarHBondContact O-CD 3.18Å; E41-K171 WeakPolarHBondContact OE1-CE 3.28Å; E41-K171 IonicContact OE1-NZ 3.99Å; E41-K171 PolarHBondContact OE1-NZ 3.5Å; E41-K255 IonicContact OE1-NZ 2.76Å; E41-K255 PolarHBondContact OE1-NZ 3.26Å; E41-K255 IonicContact OE2-NZ 2.89Å; E41-K255 PolarHBondContact OE2-NZ 3.32Å
42V96.5Very high97.1Very high0 Ų040.8 Ų40.80%020%0.197CC..SBendtrans-74.3123.4167.31740000108.4V37 P178 L239 I244 A248V37-V42 PolarHBondContact O-N 3.19Å; V42-P178 HydrophobicContact CB-CG 3.7Å; V42-P178 HydrophobicContact CG1-CB 4.42Å; V42-P178 HydrophobicContact CG1-CG 3.73Å; V42-L239 HydrophobicContact CG1-CD1 3.82Å; V42-I244 HydrophobicContact CG2-CG2 4.2Å; V42-A248 HydrophobicContact CG2-CB 3.58Å
43P96.3Very high97.1Very high17 Ų1742.3 Ų42.311%0.1121%0.205CC..EExtended strand (participates in β ladder)trans-72.3142.5179.129.8-34.1000111.1E41 V79 K167 G168E41-P43 WeakPolarHBondContact O-CD 3.18Å; P43-V79 HydrophobicContact CB-CG2 4Å; P43-V79 HydrophobicContact CG-CG2 4.4Å; P43-K167 HydrophobicContact CB-CG 4.31Å; P43-G168 CarbonylContact C-O 3.6Å; P43-G168 VanDerWaalsContact CA-O 3.25Å; P43-G168 WeakPolarHBondContact CA-O 3.47Å
44I96.7Very high97.2Very high4 Ų441.1 Ų41.12%0.02120%0.198CC..EExtended strand (participates in β ladder)trans-147.5166.8178.7-161.6172.3000109.9S75 K167 G168 W176 P178 S238 L239I44-S75 WeakPolarHBondContact CG1-OG 3.47Å; I44-K167 WeakPolarHBondContact O-CA 3.31Å; I44-G168 PolarHBondContact N-O 3.33Å; I44-G168 PolarHBondContact O-N 3.44Å; I44-W176 VanDerWaalsContact CG2-C 3.49Å; I44-W176 HydrophobicContact CG2-CB 3.57Å; I44-W176 HydrophobicContact CG2-CG 3.99Å; I44-W176 VanDerWaalsContact CG2-O 3.29Å; I44-W176 WeakPolarHBondContact CG2-O 3.46Å; I44-P178 HydrophobicContact CD1-CB 3.67Å; I44-S238 WeakPolarHBondContact CD1-OG 3.48Å; I44-S238 WeakPolarHBondContact CG1-OG 3.35Å; I44-L239 HydrophobicContact CG1-CD1 4.47Å; I44-L239 HydrophobicContact CG1-CG 4.44Å
45I96.3Very high97.2Very high2 Ų242.4 Ų42.41%0.0121%0.205CC..EExtended strand (participates in β ladder)trans-104.2129.1177.5-58.5167.6000109.1L73 I78 V79 L82 V127 A165I45-L73 HydrophobicContact CG2-CD1 4.25Å; I45-I78 HydrophobicContact CD1-CB 4.2Å; I45-I78 HydrophobicContact CD1-CG2 3.87Å; I45-V79 HydrophobicContact CD1-CB 4.36Å; I45-V79 HydrophobicContact CG1-CB 4.26Å; I45-V79 HydrophobicContact CG1-CG2 4.25Å; I45-L82 HydrophobicContact CD1-CD1 3.49Å; I45-L82 VanDerWaalsContact CD1-CD1 3.49Å; I45-L82 HydrophobicContact CG1-CD1 4.01Å; I45-V127 HydrophobicContact CD1-CG1 4.44Å; I45-V127 HydrophobicContact CD1-CG2 4.28Å; I45-V127 HydrophobicContact CG2-CG1 4.22Å; I45-A165 HydrophobicContact CG2-CB 3.62Å
46A97.3Very high97.2Very high2 Ų240.9 Ų40.92%0.01721%0.207CC..EExtended strand (participates in β ladder)trans-146157.7173.100000110.8D48 A165 K166 K175 W176A46-D48 PolarHBondContact O-N 3.4Å; A46-A165 CarbonylContact O-C 3.57Å; A46-A165 WeakPolarHBondContact O-CA 3.36Å; A46-K166 PolarHBondContact N-O 3.43Å; A46-K166 PolarHBondContact O-N 3.01Å; A46-K175 HydrophobicContact CB-CD 4.41Å; A46-K175 HydrophobicContact CB-CG 4.16Å; A46-W176 HydrophobicContact CB-CG 4.31Å
47I97.8Very high97.2Very high1 Ų133.8 Ų33.81%0.00518%0.183CC..EExtended strand (participates in β ladder)trans-65128.4176.4-63.3176.4000109.7V50 L68 L73 F101 A163 A165 K175I47-V50 HydrophobicContact CG2-CG2 3.61Å; I47-L68 HydrophobicContact CD1-CB 4.33Å; I47-L73 HydrophobicContact CG1-CD1 4.13Å; I47-F101 HydrophobicContact CG1-CD2 4.46Å; I47-A163 HydrophobicContact CD1-CB 4.28Å; I47-A163 HydrophobicContact CG2-CB 3.83Å; I47-A165 HydrophobicContact CG1-CB 4.28Å; I47-K175 PolarHBondContact O-NZ 3.32Å
48D97.8Very high97.2Very high71 Ų7139.1 Ų39.138%0.3822%0.216SC..EExtended strand (participates in β ladder)trans-129.3-24.4-178.4-169.149.4000114A46 Y164 K166 K175 W176A46-D48 PolarHBondContact O-N 3.4Å; D48-Y164 PolarHBondContact N-O 3.27Å; D48-K166 HydrophobicContact CB-CB 4.31Å; D48-K166 HydrophobicContact CB-CD 3.97Å; D48-K166 HydrophobicContact CB-CG 4.09Å; D48-K166 WeakPolarHBondContact OD2-CD 3.28Å; D48-K166 WeakPolarHBondContact OD2-CE 3.4Å; D48-K175 IonicContact OD1-NZ 2.99Å; D48-K175 PolarHBondContact OD1-NZ 3.27Å; D48-W176 HydrophobicContact CB-CH2 4.15Å; D48-W176 HydrophobicContact CB-CZ2 3.83Å; D48-W176 WeakPolarHBondContact OD1-CH2 3.42Å
49W97.7Very high97.3Very high97 Ų9741.2 Ų41.237%0.36723%0.226SC..EExtended strand (participates in β ladder)trans-122.6132.2176.1-165.597000109.3Q51 F93 A163 Y164W49-Q51 HydrophobicContact CE3-CB 4.18Å; W49-Q51 HydrophobicContact CH2-CB 3.41Å; W49-Q51 VanDerWaalsContact CH2-CB 3.41Å; W49-Q51 HydrophobicContact CH2-CG 4.27Å; W49-Q51 HydrophobicContact CZ2-CB 4.4Å; W49-Q51 HydrophobicContact CZ3-CB 3.25Å; W49-Q51 HydrophobicContact CZ3-CG 4.45Å; W49-F93 HydrophobicContact CB-CE2 4.36Å; W49-F93 HydrophobicContact CB-CZ 3.81Å; W49-F93 AromaticContact CD1-CZ 4Å; W49-F93 HydrophobicContact CD2-CE2 4.03Å; W49-F93 HydrophobicContact CD2-CZ 4.34Å; W49-F93 AromaticContact CG-CE2 3.97Å; W49-F93 HydrophobicContact CG-CE2 3.97Å; W49-F93 AromaticContact CG-CZ 3.79Å; W49-F93 HydrophobicContact CG-CZ 3.79Å; W49-A163 CarbonylContact O-C 3.56Å; W49-A163 WeakPolarHBondContact O-CA 3.36Å; W49-Y164 HydrophobicContact CD2-CD2 4.28Å; W49-Y164 AromaticContact CE3-CD2 3.54Å; W49-Y164 HydrophobicContact CE3-CD2 3.54Å; W49-Y164 HydrophobicContact CE3-CE2 4.07Å; W49-Y164 AromaticContact CZ3-CD2 3.86Å; W49-Y164 HydrophobicContact CZ3-CD2 3.86Å; W49-Y164 AromaticContact CZ3-CE2 3.89Å; W49-Y164 HydrophobicContact CZ3-CE2 3.89Å; W49-Y164 PolarHBondContact N-O 3.45Å; W49-Y164 PolarHBondContact O-N 3.38Å
50V98.2Very high97.3Very high39 Ų3943.1 Ų43.124%0.23623%0.234CC..EExtended strand (participates in β ladder)trans-136.5123.3-179.6-1760000108.4I47 I52 A65 L68 L161 A163I47-V50 HydrophobicContact CG2-CG2 3.61Å; V50-I52 HydrophobicContact CG1-CG1 4.04Å; V50-A65 HydrophobicContact CB-CB 4.25Å; V50-A65 HydrophobicContact CG2-CB 4.26Å; V50-L68 HydrophobicContact CG1-CD1 4.04Å; V50-L68 HydrophobicContact CG2-CD1 4.24Å; V50-L161 HydrophobicContact CG1-CB 4.39Å; V50-L161 HydrophobicContact CG1-CD1 4.37Å; V50-L161 HydrophobicContact CG1-CD2 4.39Å; V50-A163 HydrophobicContact CG2-CB 4.16Å
51Q98Very high97.4Very high78 Ų7845.5 Ų45.536%0.36424%0.243SC..EExtended strand (participates in β ladder)trans-107123.9168.7169.6-178.4-5.800108.7W49 D53 L161 R162W49-Q51 HydrophobicContact CE3-CB 4.18Å; W49-Q51 HydrophobicContact CH2-CB 3.41Å; W49-Q51 VanDerWaalsContact CH2-CB 3.41Å; W49-Q51 HydrophobicContact CH2-CG 4.27Å; W49-Q51 HydrophobicContact CZ2-CB 4.4Å; W49-Q51 HydrophobicContact CZ3-CB 3.25Å; W49-Q51 HydrophobicContact CZ3-CG 4.45Å; Q51-D53 PolarHBondContact NE2-OD1 2.88Å; Q51-L161 CarbonylContact O-C 3.52Å; Q51-L161 WeakPolarHBondContact O-CA 3.43Å; Q51-L161 VanDerWaalsContact O-CB 3.24Å; Q51-L161 WeakPolarHBondContact O-CB 3.5Å; Q51-R162 PolarHBondContact N-O 3.04Å; Q51-R162 PolarHBondContact O-N 3.41Å
52I98.1Very high97.5Very high42 Ų4249.8 Ų49.822%0.21526%0.263CS..EExtended strand (participates in β ladder)trans-104.5118.3177.6-63.7175.2000107.7V50 N55 D61 L161V50-I52 HydrophobicContact CG1-CG1 4.04Å; I52-N55 HydrophobicContact CG2-CB 3.77Å; I52-D61 HydrophobicContact CD1-CB 3.63Å; I52-L161 HydrophobicContact CG1-CB 3.99Å; I52-L161 HydrophobicContact CG1-CD2 4.35Å
53D97.9Very high97.6Very high95 Ų9553.9 Ų53.951%0.50828%0.281SS..EExtended strand (participates in β ladder)trans-90.4-32.1177.1-66.2-31.2000111.4Q51 R160Q51-D53 PolarHBondContact NE2-OD1 2.88Å; D53-R160 HydrophobicContact CB-CB 4.4Å; D53-R160 HydrophobicContact CB-CG 4.44Å; D53-R160 PolarHBondContact N-O 2.89Å
54A97.6Very high97.6Very high21 Ų2153 Ų5317%0.17428%0.276CS..EExtended strand (participates in β ladder)trans-149.7127.8175.700000111E158 L159 R160A54-E158 HydrophobicContact CB-CG 4.36Å; A54-L159 CarbonylContact O-C 3.54Å; A54-L159 WeakPolarHBondContact O-CA 3.32Å; A54-R160 HydrophobicContact CB-CB 3.97Å; A54-R160 PolarHBondContact N-O 2.75Å; A54-R160 PolarHBondContact O-N 3.36Å
55N98Very high97.7Very high44 Ų4454.4 Ų54.424%0.23529%0.288CS..EExtended strand (participates in β ladder)trans-135.9109.5169.317914.9000109.5I52 S57 L59 D61 L159I52-N55 HydrophobicContact CG2-CB 3.77Å; N55-S57 VanDerWaalsContact OD1-CB 3.22Å; N55-S57 WeakPolarHBondContact OD1-CB 3.42Å; N55-S57 PolarHBondContact OD1-N 2.86Å; N55-S57 PolarHBondContact OD1-OG 2.89Å; N55-L59 PolarHBondContact ND2-O 3.09Å; N55-D61 VanDerWaalsContact CB-OD1 3.32Å; N55-D61 WeakPolarHBondContact CB-OD1 3.34Å; N55-D61 PolarHBondContact ND2-OD1 3.47Å; N55-L159 HydrophobicContact CB-CD1 4.03Å
56S97.6Very high97.8Very high51 Ų5159.4 Ų59.436%0.35731%0.311SS..  trans-114.616.4171.754.40000112Q157 E158S56-Q157 VanDerWaalsContact O-CD 3.3Å; S56-Q157 VanDerWaalsContact O-CG 3.23Å; S56-Q157 WeakPolarHBondContact O-CG 3.46Å; S56-Q157 PolarHBondContact O-NE2 2.81Å; S56-Q157 WeakPolarHBondContact OG-CA 3.38Å; S56-E158 PolarHBondContact N-O 3.36Å; S56-E158 PolarHBondContact OG-N 3.48Å; S56-E158 PolarHBondContact OG-O 3.17Å; S56-E158 VanDerWaalsContact OG-O 3.09Å
57S97Very high97.8Very high19 Ų1963.6 Ų63.613%0.13333%0.326CS..SBendtrans-71.9177.4173.785.30000111.3N55 L59N55-S57 VanDerWaalsContact OD1-CB 3.22Å; N55-S57 WeakPolarHBondContact OD1-CB 3.42Å; N55-S57 PolarHBondContact OD1-N 2.86Å; N55-S57 PolarHBondContact OD1-OG 2.89Å; S57-L59 VanDerWaalsContact C-N 3.34Å; S57-L59 PolarHBondContact OG-N 3.48Å; S57-L59 VanDerWaalsContact OG-N 3.17Å; S57-L59 PolarHBondContact OG-O 3.47Å
58V97.4Very high97.8Very high116 Ų11663.6 Ų63.670%0.70333%0.326SS*.SBendtrans-83.1-12.6174.4-59.30000113.2
59L97.7Very high97.8Very high44 Ų4460.4 Ų60.423%0.2331%0.31CS..SBendtrans-94.6137.4-179.8-60.6179.1000109.3N55 S57 F63 I64 V151N55-L59 PolarHBondContact ND2-O 3.09Å; S57-L59 VanDerWaalsContact C-N 3.34Å; S57-L59 PolarHBondContact OG-N 3.48Å; S57-L59 VanDerWaalsContact OG-N 3.17Å; S57-L59 PolarHBondContact OG-O 3.47Å; L59-F63 HydrophobicContact CB-CB 4.48Å; L59-F63 HydrophobicContact CB-CD1 4.38Å; L59-F63 HydrophobicContact CD1-CD1 3.86Å; L59-F63 HydrophobicContact CD1-CE1 4.19Å; L59-F63 HydrophobicContact CD2-CD1 3.95Å; L59-F63 HydrophobicContact CD2-CE1 4.09Å; L59-F63 HydrophobicContact CG-CD1 4.28Å; L59-I64 HydrophobicContact CB-CD1 4.17Å; L59-I64 HydrophobicContact CB-CG1 3.89Å; L59-I64 HydrophobicContact CD1-CG1 4.49Å; L59-V151 HydrophobicContact CD1-CB 4.01Å; L59-V151 HydrophobicContact CD1-CG2 3.59Å; L59-V151 HydrophobicContact CG-CG2 4.03Å
60H97.7Very high97.8Very high97 Ų9760.1 Ų60.145%0.44932%0.316SS..  trans-70.8158.9173.853.5-96.4000111.3E62 F63 I64H60-E62 VanDerWaalsContact CD2-CG 3.42Å; H60-E62 WeakPolarHBondContact CD2-CG 3.3Å; H60-E62 IonicContact CD2-OE1 2.65Å; H60-E62 PolarHBondContact CD2-OE1 3.37Å; H60-E62 VanDerWaalsContact CD2-OE1 3.27Å; H60-E62 IonicContact CD2-OE2 3.66Å; H60-E62 PolarHBondContact CD2-OE2 2.65Å; H60-E62 IonicContact CG-OE1 3.79Å; H60-E62 IonicContact CG-OE2 2.89Å; H60-E62 IonicContact NE2-OE1 3.64Å; H60-E62 PolarHBondContact O-N 3.45Å; H60-F63 PolarHBondContact CD2-N 3.47Å; H60-F63 VanDerWaalsContact CD2-N 3.28Å; H60-F63 AromaticContact CE1-CD2 3.81Å; H60-F63 WeakPolarHBondContact NE2-CB 3.48Å; H60-F63 AromaticContact NE2-CD2 3.72Å; H60-F63 VanDerWaalsContact O-CB 3.3Å; H60-F63 WeakPolarHBondContact O-CB 3.43Å; H60-F63 PolarHBondContact O-N 2.8Å; H60-F63 VanDerWaalsContact O-N 3.09Å; H60-I64 PolarHBondContact O-N 3.48Å
61D98Very high97.7Very high76 Ų7658.4 Ų58.441%0.40631%0.305SS..Hα-helixtrans-55.8-48.7-170.3-71.1-10.5000112.7I52 N55 F63 I64 A65I52-D61 HydrophobicContact CD1-CB 3.63Å; N55-D61 VanDerWaalsContact CB-OD1 3.32Å; N55-D61 WeakPolarHBondContact CB-OD1 3.34Å; N55-D61 PolarHBondContact ND2-OD1 3.47Å; D61-F63 VanDerWaalsContact C-N 3.27Å; D61-F63 PolarHBondContact O-N 3.03Å; D61-I64 PolarHBondContact O-N 3.22Å; D61-A65 PolarHBondContact O-N 2.92Å
62E97.7Very high97.6Very high130 Ų13056.1 Ų56.161%0.60730%0.297SS*.Hα-helixtrans-68.1-25.3-179.166.8-81.9-161.800113.1H60 H66H60-E62 VanDerWaalsContact CD2-CG 3.42Å; H60-E62 WeakPolarHBondContact CD2-CG 3.3Å; H60-E62 IonicContact CD2-OE1 2.65Å; H60-E62 PolarHBondContact CD2-OE1 3.37Å; H60-E62 VanDerWaalsContact CD2-OE1 3.27Å; H60-E62 IonicContact CD2-OE2 3.66Å; H60-E62 PolarHBondContact CD2-OE2 2.65Å; H60-E62 IonicContact CG-OE1 3.79Å; H60-E62 IonicContact CG-OE2 2.89Å; H60-E62 IonicContact NE2-OE1 3.64Å; H60-E62 PolarHBondContact O-N 3.45Å; E62-H66 VanDerWaalsContact O-CB 3.28Å; E62-H66 WeakPolarHBondContact O-CB 3.21Å; E62-H66 PolarHBondContact O-N 2.91Å
63F98.1Very high97.4Very high85 Ų8554.1 Ų54.137%0.37329%0.287SS..Hα-helixtrans-68-44.6173-155.5-97.3000110.8L59 H60 D61 H66 R67L59-F63 HydrophobicContact CB-CB 4.48Å; L59-F63 HydrophobicContact CB-CD1 4.38Å; L59-F63 HydrophobicContact CD1-CD1 3.86Å; L59-F63 HydrophobicContact CD1-CE1 4.19Å; L59-F63 HydrophobicContact CD2-CD1 3.95Å; L59-F63 HydrophobicContact CD2-CE1 4.09Å; L59-F63 HydrophobicContact CG-CD1 4.28Å; H60-F63 PolarHBondContact CD2-N 3.47Å; H60-F63 VanDerWaalsContact CD2-N 3.28Å; H60-F63 AromaticContact CE1-CD2 3.81Å; H60-F63 WeakPolarHBondContact NE2-CB 3.48Å; H60-F63 AromaticContact NE2-CD2 3.72Å; H60-F63 VanDerWaalsContact O-CB 3.3Å; H60-F63 WeakPolarHBondContact O-CB 3.43Å; H60-F63 PolarHBondContact O-N 2.8Å; H60-F63 VanDerWaalsContact O-N 3.09Å; D61-F63 VanDerWaalsContact C-N 3.27Å; D61-F63 PolarHBondContact O-N 3.03Å; F63-H66 PolarHBondContact O-N 2.9Å; F63-R67 HydrophobicContact CD1-CG 4.3Å; F63-R67 HydrophobicContact CE1-CG 4.36Å; F63-R67 WeakPolarHBondContact O-CG 3.44Å; F63-R67 PolarHBondContact O-N 3.29Å
64I97.8Very high97.2Very high0 Ų050.2 Ų50.20%027%0.266CS..Hα-helixtrans-67.1-45.7179.4-61.8176.1000109L59 H60 D61 H66 R67 L68 I150 L159 L161L59-I64 HydrophobicContact CB-CD1 4.17Å; L59-I64 HydrophobicContact CB-CG1 3.89Å; L59-I64 HydrophobicContact CD1-CG1 4.49Å; H60-I64 PolarHBondContact O-N 3.48Å; D61-I64 PolarHBondContact O-N 3.22Å; I64-H66 VanDerWaalsContact C-N 3.32Å; I64-H66 PolarHBondContact O-N 2.93Å; I64-R67 PolarHBondContact O-N 3.42Å; I64-L68 HydrophobicContact CG2-CD1 4.04Å; I64-L68 HydrophobicContact CG2-CG 4.33Å; I64-L68 WeakPolarHBondContact O-CG 3.38Å; I64-L68 PolarHBondContact O-N 3.25Å; I64-I150 HydrophobicContact CG2-CG2 4.25Å; I64-L159 HydrophobicContact CD1-CD1 3.8Å; I64-L159 HydrophobicContact CD1-CD2 4.2Å; I64-L159 HydrophobicContact CG2-CD2 4.1Å; I64-L161 HydrophobicContact CG2-CD2 4.05Å
65A98Very high96.6Very high33 Ų3349.3 Ų49.327%0.27326%0.258SS..Hα-helixtrans-58.5-42.3176.400000112.2V50 D61 L68 G69V50-A65 HydrophobicContact CB-CB 4.25Å; V50-A65 HydrophobicContact CG2-CB 4.26Å; D61-A65 PolarHBondContact O-N 2.92Å; A65-L68 PolarHBondContact O-N 3.42Å; A65-G69 PolarHBondContact O-N 2.77Å
66H98.3Very high95.9Very high106 Ų10648.1 Ų48.149%0.49125%0.251SS..Hα-helixtrans-61-46.8175.2178.673.3000112.1E62 F63 I64 G69 L70E62-H66 VanDerWaalsContact O-CB 3.28Å; E62-H66 WeakPolarHBondContact O-CB 3.21Å; E62-H66 PolarHBondContact O-N 2.91Å; F63-H66 PolarHBondContact O-N 2.9Å; I64-H66 VanDerWaalsContact C-N 3.32Å; I64-H66 PolarHBondContact O-N 2.93Å; H66-G69 PolarHBondContact O-N 3.24Å; H66-L70 PolarHBondContact O-N 3.15Å
67R97.9Very high95.2Very high91 Ų9150.5 Ų50.534%0.34326%0.26SS..Hα-helixtrans-62.8-42.5177.9-69.6177.875.6785.3112F63 I64 G69 L70 L149 I150F63-R67 HydrophobicContact CD1-CG 4.3Å; F63-R67 HydrophobicContact CE1-CG 4.36Å; F63-R67 WeakPolarHBondContact O-CG 3.44Å; F63-R67 PolarHBondContact O-N 3.29Å; I64-R67 PolarHBondContact O-N 3.42Å; R67-G69 VanDerWaalsContact C-N 3.29Å; R67-G69 PolarHBondContact O-N 3.32Å; R67-L70 PolarHBondContact O-N 2.83Å; R67-L70 VanDerWaalsContact O-N 3.15Å; R67-L149 PolarHBondContact NH2-O 3.4Å; R67-I150 WeakPolarHBondContact CD-O 3.31Å; R67-I150 PolarHBondContact NE-O 2.88Å
68L97.3Very high94.7Very high0 Ų051 Ų510%026%0.261CS..Hα-helixtrans-59.8-40.1176.1-74.6172.4000112I47 V50 I64 A65 L70 I71 L120 I150 L161I47-L68 HydrophobicContact CD1-CB 4.33Å; V50-L68 HydrophobicContact CG1-CD1 4.04Å; V50-L68 HydrophobicContact CG2-CD1 4.24Å; I64-L68 HydrophobicContact CG2-CD1 4.04Å; I64-L68 HydrophobicContact CG2-CG 4.33Å; I64-L68 WeakPolarHBondContact O-CG 3.38Å; I64-L68 PolarHBondContact O-N 3.25Å; A65-L68 PolarHBondContact O-N 3.42Å; L68-L70 PolarHBondContact O-N 3.12Å; L68-I71 HydrophobicContact CD2-CD1 3.95Å; L68-I71 PolarHBondContact O-N 3.01Å; L68-L120 HydrophobicContact CD2-CD1 4.13Å; L68-L120 HydrophobicContact CD2-CD2 4.11Å; L68-I150 HydrophobicContact CD2-CD1 3.87Å; L68-I150 HydrophobicContact CD2-CG2 4.24Å; L68-L161 HydrophobicContact CD1-CD1 3.84Å; L68-L161 HydrophobicContact CD1-CD2 3.66Å; L68-L161 HydrophobicContact CD1-CG 4.45Å
69G97.4Very high94.3Very high5 Ų545.6 Ų45.65%0.05223%0.229CC..Hα-helixtrans-60.9-29.6176.700000113.6A65 H66 R67 K175A65-G69 PolarHBondContact O-N 2.77Å; H66-G69 PolarHBondContact O-N 3.24Å; R67-G69 VanDerWaalsContact C-N 3.29Å; R67-G69 PolarHBondContact O-N 3.32Å; G69-K175 VanDerWaalsContact O-CB 3.31Å; G69-K175 WeakPolarHBondContact O-CB 3.3Å
70L97.4Very high93.9Very high91 Ų9148.7 Ų48.748%0.47625%0.245SC..THydrogen-bonded Turntrans-87.4-2.3-179-64.5177.8000114.2H66 R67 L68 P72 K175H66-L70 PolarHBondContact O-N 3.15Å; R67-L70 PolarHBondContact O-N 2.83Å; R67-L70 VanDerWaalsContact O-N 3.15Å; L68-L70 PolarHBondContact O-N 3.12Å; L70-P72 WeakPolarHBondContact O-CD 3.5Å; L70-K175 HydrophobicContact CD2-CB 4.11Å
71I96.6Very high93.6Very high3 Ų351 Ų512%0.01525%0.254CS..SBendtrans-74.9119.7176.4-63.3173.3000108.5L68 L73 L120 P129 I148 I150L68-I71 HydrophobicContact CD2-CD1 3.95Å; L68-I71 PolarHBondContact O-N 3.01Å; I71-L73 HydrophobicContact CG2-CD2 4.46Å; I71-L73 PolarHBondContact O-N 3.02Å; I71-L120 HydrophobicContact CD1-CD1 3.8Å; I71-P129 HydrophobicContact CG2-CB 4.07Å; I71-P129 HydrophobicContact CG2-CG 4.37Å; I71-I148 HydrophobicContact CG1-CG2 4.18Å; I71-I148 HydrophobicContact CG2-CD1 4.26Å; I71-I150 HydrophobicContact CD1-CD1 3.89Å; I71-I150 HydrophobicContact CD1-CG1 3.91Å
72P95.6Very high93.3Very high30 Ų3047.9 Ų47.920%0.19524%0.237CC..  trans-69.5131.9176.730.2-33.9000110L70 P129 V130 I148L70-P72 WeakPolarHBondContact O-CD 3.5Å; P72-P129 WeakPolarHBondContact O-CA 3.47Å; P72-V130 HydrophobicContact CB-CG2 3.79Å; P72-V130 HydrophobicContact CG-CB 4.33Å; P72-V130 HydrophobicContact CG-CG2 3.9Å; P72-V130 PolarHBondContact O-N 3.44Å; P72-I148 VanDerWaalsContact CD-CD1 3.46Å; P72-I148 HydrophobicContact CG-CD1 4.07Å
73L95.4Very high93.1Very high0 Ų046 Ų460%023%0.228CC..BIsolated β-bridgetrans-110.7134.4177.4-58.9178.2000109.5I45 I47 I71 S75 F101 V127 P129 A165 S238I45-L73 HydrophobicContact CG2-CD1 4.25Å; I47-L73 HydrophobicContact CG1-CD1 4.13Å; I71-L73 HydrophobicContact CG2-CD2 4.46Å; I71-L73 PolarHBondContact O-N 3.02Å; L73-S75 PolarHBondContact O-N 3.13Å; L73-F101 HydrophobicContact CD1-CE2 3.65Å; L73-F101 HydrophobicContact CD1-CZ 3.66Å; L73-F101 HydrophobicContact CD2-CE1 4.05Å; L73-F101 HydrophobicContact CD2-CE2 4.5Å; L73-F101 HydrophobicContact CD2-CZ 3.78Å; L73-F101 HydrophobicContact CG-CZ 4.3Å; L73-V127 HydrophobicContact CB-CG1 4.16Å; L73-V127 HydrophobicContact CD1-CG1 4.44Å; L73-P129 HydrophobicContact CD2-CG 4.11Å; L73-A165 HydrophobicContact CD1-CB 3.64Å; L73-S238 VanDerWaalsContact O-CB 3.27Å; L73-S238 WeakPolarHBondContact O-CB 3.37Å; L73-S238 PolarHBondContact O-OG 3.38Å
74I92.9Very high93Very high13 Ų1344.1 Ų44.17%0.06722%0.219CC..  trans-60.9128176.9-61.4170000109.4I128 V130 R133I74-I128 HydrophobicContact CD1-CD1 4.35Å; I74-I128 HydrophobicContact CD1-CG1 3.77Å; I74-I128 WeakPolarHBondContact CG1-O 3.27Å; I74-I128 PolarHBondContact N-O 3.4Å; I74-V130 HydrophobicContact CG1-CG2 4.16Å; I74-R133 HydrophobicContact CD1-CB 3.9Å; I74-R133 HydrophobicContact CD1-CG 3.92Å
75S85.4Confident92.9Very high1 Ų145.9 Ų45.91%0.00723%0.232CC..  trans-134.84-171.265.50000115.6I44 L73 D77 I78 V79 S238 L239I44-S75 WeakPolarHBondContact CG1-OG 3.47Å; L73-S75 PolarHBondContact O-N 3.13Å; S75-D77 PolarHBondContact O-N 2.75Å; S75-D77 VanDerWaalsContact O-N 3.12Å; S75-I78 PolarHBondContact O-N 2.99Å; S75-V79 WeakPolarHBondContact O-CB 3.35Å; S75-V79 WeakPolarHBondContact O-CG1 3.38Å; S75-V79 PolarHBondContact O-N 3.19Å; S75-V79 VanDerWaalsContact O-N 3.13Å; S75-S238 PolarHBondContact N-O 2.88Å; S75-S238 PolarHBondContact OG-O 3.24Å; S75-S238 PolarHBondContact OG-OG 3.42Å; S75-S238 VanDerWaalsContact OG-OG 3.12Å; S75-L239 VanDerWaalsContact OG-CD2 3.23Å; S75-L239 WeakPolarHBondContact OG-CD2 3.47Å; S75-L239 WeakPolarHBondContact OG-CG 3.42Å
76D83.5Confident92.7Very high19 Ų1950.9 Ų50.910%0.10224%0.243CC..THydrogen-bonded Turntrans-37.3-57.4-170.3-73.6-37.9000115.2R133 L239 R240D76-R133 IonicContact OD2-CZ 2.77Å; D76-R133 IonicContact OD2-NH1 3.07Å; D76-R133 PolarHBondContact OD2-NH1 3.36Å; D76-R133 VanDerWaalsContact OD2-NH1 3.09Å; D76-R133 IonicContact OD2-NH2 3.01Å; D76-L239 WeakPolarHBondContact OD1-CA 3.39Å; D76-R240 PolarHBondContact OD1-N 3.43Å
77D83.1Confident92.5Very high101 Ų10150.6 Ų50.654%0.5425%0.246SC..THydrogen-bonded Turntrans-106.5-17.3-174.6-57.6-23.5000114.1S75S75-D77 PolarHBondContact O-N 2.75Å; S75-D77 VanDerWaalsContact O-N 3.12Å
78I85.6Confident92.4Very high30 Ų3047.1 Ų47.115%0.15424%0.235CC..THydrogen-bonded Turntrans-86.4-31.7-170.4-64-61.4000110.3I45 S75 D80 K81 L82 R126 V127I45-I78 HydrophobicContact CD1-CB 4.2Å; I45-I78 HydrophobicContact CD1-CG2 3.87Å; S75-I78 PolarHBondContact O-N 2.99Å; I78-D80 VanDerWaalsContact C-N 3.27Å; I78-D80 PolarHBondContact O-N 3.14Å; I78-K81 PolarHBondContact O-N 3.5Å; I78-K81 VanDerWaalsContact O-N 3.11Å; I78-L82 HydrophobicContact CG2-CD1 3.64Å; I78-L82 HydrophobicContact CG2-CG 3.76Å; I78-L82 WeakPolarHBondContact O-CG 3.42Å; I78-L82 PolarHBondContact O-N 2.97Å; I78-R126 HydrophobicContact CG1-CB 4.1Å; I78-V127 HydrophobicContact CB-CG2 3.93Å; I78-V127 HydrophobicContact CG1-CG2 3.92Å; I78-V127 HydrophobicContact CG2-CG2 3.8Å
79V88.5Confident92.2Very high3 Ų354.2 Ų54.22%0.01828%0.279CS..THydrogen-bonded Turntrans-60.1-37.4-177.770.10000112.5P43 I45 S75 K81 K167 L239P43-V79 HydrophobicContact CB-CG2 4Å; P43-V79 HydrophobicContact CG-CG2 4.4Å; I45-V79 HydrophobicContact CD1-CB 4.36Å; I45-V79 HydrophobicContact CG1-CB 4.26Å; I45-V79 HydrophobicContact CG1-CG2 4.25Å; S75-V79 WeakPolarHBondContact O-CB 3.35Å; S75-V79 WeakPolarHBondContact O-CG1 3.38Å; S75-V79 PolarHBondContact O-N 3.19Å; S75-V79 VanDerWaalsContact O-N 3.13Å; V79-K81 VanDerWaalsContact C-N 3.34Å; V79-K167 HydrophobicContact CG2-CD 4.27Å; V79-K167 HydrophobicContact CG2-CG 4.05Å; V79-K167 WeakPolarHBondContact O-CD 3.42Å; V79-K167 VanDerWaalsContact O-CE 3.22Å; V79-K167 WeakPolarHBondContact O-CE 3.38Å; V79-K167 PolarHBondContact O-NZ 3.48Å; V79-L239 HydrophobicContact CG1-CD2 4.42Å
80D89.2Confident92.1Very high109 Ų10956 Ų5658%0.58329%0.29SS*.THydrogen-bonded Turntrans-73.9-26.8-179.9-73.1-23.7000112.9I78I78-D80 VanDerWaalsContact C-N 3.27Å; I78-D80 PolarHBondContact O-N 3.14Å
81K91.3Very high91.8Very high146 Ų14661.3 Ų61.364%0.63531%0.312SS*.THydrogen-bonded Turntrans-85.9-29.8179.2-62.2177.5-172172.80112.7I78 V79I78-K81 PolarHBondContact O-N 3.5Å; I78-K81 VanDerWaalsContact O-N 3.11Å; V79-K81 VanDerWaalsContact C-N 3.34Å
82L92.6Very high91.5Very high10 Ų1068.5 Ų68.55%0.05235%0.346CS..SBendtrans-70.6136.2175.4-74.6176.1000110.9I45 I78 E96 V99 K167I45-L82 HydrophobicContact CD1-CD1 3.49Å; I45-L82 VanDerWaalsContact CD1-CD1 3.49Å; I45-L82 HydrophobicContact CG1-CD1 4.01Å; I78-L82 HydrophobicContact CG2-CD1 3.64Å; I78-L82 HydrophobicContact CG2-CG 3.76Å; I78-L82 WeakPolarHBondContact O-CG 3.42Å; I78-L82 PolarHBondContact O-N 2.97Å; L82-E96 WeakPolarHBondContact CA-O 3.42Å; L82-E96 VanDerWaalsContact CD2-C 3.42Å; L82-E96 WeakPolarHBondContact CD2-O 3.47Å; L82-V99 HydrophobicContact CD1-CG2 4.35Å; L82-K167 VanDerWaalsContact O-CD 3.24Å; L82-K167 WeakPolarHBondContact O-CD 3.44Å; L82-K167 PolarHBondContact O-NZ 2.93Å
83Q94Very high91.4Very high89 Ų8969.2 Ų69.242%0.41635%0.346SS..PPolyproline II helixtrans-81.8155.8169.4-64.1-179.4-2.700110.2E96Q83-E96 PolarHBondContact N-O 3.02Å
84Y95.5Very high91.3Very high46 Ų4670.5 Ų70.518%0.1836%0.355CS..PPolyproline II helixtrans-66.5136.7166.1-68.3-79.2000108.8R86 D87 C88 K167 F169Y84-R86 PolarHBondContact O-N 3.2Å; Y84-R86 VanDerWaalsContact O-N 3.09Å; Y84-D87 PolarHBondContact O-N 2.92Å; Y84-C88 PolarHBondContact O-N 2.92Å; Y84-K167 HydrophobicContact CD1-CB 4.27Å; Y84-K167 HydrophobicContact CD1-CD 4.3Å; Y84-K167 HydrophobicContact CD1-CG 4.01Å; Y84-K167 WeakPolarHBondContact CD1-O 3.43Å; Y84-K167 HydrophobicContact CE1-CB 4.43Å; Y84-K167 HydrophobicContact CE1-CD 4.14Å; Y84-K167 HydrophobicContact CE1-CG 3.74Å; Y84-K167 HydrophobicContact CE2-CD 4.38Å; Y84-F169 HydrophobicContact CE1-CD1 4.08Å; Y84-F169 HydrophobicContact CE1-CE1 4.31Å
85S94.4Very high91.3Very high38 Ų3875.6 Ų75.627%0.26639%0.388SS..THydrogen-bonded Turntrans-56-30-179.460.30000114.1D87 C88 K166S85-D87 VanDerWaalsContact C-N 3.31Å; S85-D87 PolarHBondContact O-N 2.97Å; S85-C88 PolarHBondContact O-N 2.93Å; S85-K166 PolarHBondContact OG-NZ 3.11Å
86R94.7Very high91.7Very high137 Ų13781.5 Ų81.552%0.51742%0.416SS..THydrogen-bonded Turntrans-71-19.8174.760.4177.1173.3-101.4-3.8114.9Y84 E172Y84-R86 PolarHBondContact O-N 3.2Å; Y84-R86 VanDerWaalsContact O-N 3.09Å; R86-E172 IonicContact CZ-OE1 3.45Å; R86-E172 IonicContact NH1-OE1 3.95Å; R86-E172 PolarHBondContact NH1-OE1 3.4Å; R86-E172 IonicContact NH2-OE1 3.95Å
87D94.8Very high92.2Very high101 Ų10180.6 Ų80.654%0.5441%0.411SS..THydrogen-bonded Turntrans-100.8-9179.8-58.2-29.9000111.5Y84 S85Y84-D87 PolarHBondContact O-N 2.92Å; S85-D87 VanDerWaalsContact C-N 3.31Å; S85-D87 PolarHBondContact O-N 2.97Å
88C94.6Very high92.8Very high17 Ų1776.1 Ų76.112%0.11539%0.388CS..  trans-81.2147-178.9-164.80000111Y84 S85 C90 C94 C97Y84-C88 PolarHBondContact O-N 2.92Å; S85-C88 PolarHBondContact O-N 2.93Å; C88-C90 VanDerWaalsContact C-N 3.32Å; C88-C90 PolarHBondContact O-N 3Å; C88-C90 VanDerWaalsContact SG-SG 3.63Å; C88-C94 VanDerWaalsContact SG-SG 3.64Å; C88-C97 HydrophobicContact CB-CB 3.75Å
89T94.6Very high93.3Very high150 Ų15075.2 Ų75.292%0.9238%0.383SS*.  trans-86.84.3-177.958.20000114.1
90C94.4Very high93.7Very high43 Ų4377 Ų7729%0.29139%0.391SS..SBendtrans-81.5162.6179.967.30000112.8C88 C94 C97C88-C90 VanDerWaalsContact C-N 3.32Å; C88-C90 PolarHBondContact O-N 3Å; C88-C90 VanDerWaalsContact SG-SG 3.63Å; C90-C94 HydrophobicContact CB-CB 4.06Å; C90-C97 VanDerWaalsContact SG-SG 3.68Å
91E90.8Very high94.1Very high201 Ų20171.8 Ų71.894%0.93936%0.364SS*.SBendtrans-75-50.1-179.5-68.6-175167.400113.7
92E90.3Very high94.4Very high154 Ų15466.7 Ų66.772%0.7235%0.345SS*.SBendtrans-120.6-74.8-179.5-69.4-173.9165.500111.4
93F93.9Very high94.6Very high45 Ų4566.2 Ų66.220%0.19734%0.342CS..  trans-143.6133.8-174.1-67-63.8000110.4W49 S98 Y164 K166W49-F93 HydrophobicContact CB-CE2 4.36Å; W49-F93 HydrophobicContact CB-CZ 3.81Å; W49-F93 AromaticContact CD1-CZ 4Å; W49-F93 HydrophobicContact CD2-CE2 4.03Å; W49-F93 HydrophobicContact CD2-CZ 4.34Å; W49-F93 AromaticContact CG-CE2 3.97Å; W49-F93 HydrophobicContact CG-CE2 3.97Å; W49-F93 AromaticContact CG-CZ 3.79Å; W49-F93 HydrophobicContact CG-CZ 3.79Å; F93-S98 WeakPolarHBondContact CB-OG 3.2Å; F93-Y164 HydrophobicContact CB-CD1 3.87Å; F93-Y164 HydrophobicContact CB-CE1 3.79Å; F93-Y164 HydrophobicContact CB-CG 4.45Å; F93-Y164 HydrophobicContact CD1-CD1 4.21Å; F93-Y164 HydrophobicContact CD1-CG 4.16Å; F93-Y164 HydrophobicContact CD2-CD1 4.1Å; F93-Y164 AromaticContact CD2-CD2 3.73Å; F93-Y164 HydrophobicContact CD2-CD2 3.73Å; F93-Y164 HydrophobicContact CD2-CE1 4.22Å; F93-Y164 AromaticContact CD2-CE2 3.87Å; F93-Y164 HydrophobicContact CD2-CE2 3.87Å; F93-Y164 AromaticContact CD2-CG 3.84Å; F93-Y164 HydrophobicContact CD2-CG 3.84Å; F93-Y164 HydrophobicContact CE1-CG 4.37Å; F93-Y164 AromaticContact CE2-CD2 3.82Å; F93-Y164 HydrophobicContact CE2-CD2 3.82Å; F93-Y164 HydrophobicContact CE2-CE2 4.28Å; F93-Y164 HydrophobicContact CE2-CG 4.09Å; F93-Y164 AromaticContact CG-CD1 3.79Å; F93-Y164 HydrophobicContact CG-CD1 3.79Å; F93-Y164 HydrophobicContact CG-CD2 4.25Å; F93-Y164 HydrophobicContact CG-CE1 4.07Å; F93-Y164 AromaticContact CG-CG 3.88Å; F93-Y164 HydrophobicContact CG-CG 3.88Å; F93-Y164 HydrophobicContact CZ-CD2 4.41Å; F93-Y164 HydrophobicContact CZ-CG 4.35Å; F93-K166 HydrophobicContact CE1-CD 4.39Å; F93-K166 VanDerWaalsContact CE1-CE 3.43Å; F93-K166 HydrophobicContact CE1-CG 4.44Å; F93-K166 VanDerWaalsContact CE1-NZ 3.28Å
94C93.9Very high94.8Very high28 Ų2866.5 Ų66.519%0.18935%0.347CS..  trans-130.8165.217177.10000110.5C88 C90 E96 C97 S98C88-C94 VanDerWaalsContact SG-SG 3.64Å; C90-C94 HydrophobicContact CB-CB 4.06Å; C94-E96 PolarHBondContact O-N 3.24Å; C94-E96 VanDerWaalsContact O-N 3.14Å; C94-E96 PolarHBondContact SG-N 3.01Å; C94-E96 VanDerWaalsContact SG-N 3.42Å; C94-C97 PolarHBondContact N-SG 3.01Å; C94-C97 VanDerWaalsContact N-SG 3.37Å; C94-C97 PolarHBondContact O-N 3.05Å; C94-C97 VanDerWaalsContact SG-SG 3.6Å; C94-S98 PolarHBondContact O-N 2.69Å; C94-S98 PolarHBondContact O-OG 2.92Å
95P92.2Very high94.9Very high119 Ų11965 Ų6577%0.77334%0.342SS*.THydrogen-bonded Turntrans-62.1-15.8176.6-24.435.6000114.9
96E93.3Very high95Very high126 Ų12670 Ų7059%0.58936%0.356SS*.THydrogen-bonded Turntrans-87.8-16.3178.3-59.6-172.6166.700113.6L82 Q83 C94L82-E96 WeakPolarHBondContact CA-O 3.42Å; L82-E96 VanDerWaalsContact CD2-C 3.42Å; L82-E96 WeakPolarHBondContact CD2-O 3.47Å; Q83-E96 PolarHBondContact N-O 3.02Å; C94-E96 PolarHBondContact O-N 3.24Å; C94-E96 VanDerWaalsContact O-N 3.14Å; C94-E96 PolarHBondContact SG-N 3.01Å; C94-E96 VanDerWaalsContact SG-N 3.42Å
97C95.3Very high95.1Very high0 Ų063.6 Ų63.60%033%0.331CS..THydrogen-bonded Turntrans-121-10.8-178.776.40000114C88 C90 C94C88-C97 HydrophobicContact CB-CB 3.75Å; C90-C97 VanDerWaalsContact SG-SG 3.68Å; C94-C97 PolarHBondContact N-SG 3.01Å; C94-C97 VanDerWaalsContact N-SG 3.37Å; C94-C97 PolarHBondContact O-N 3.05Å; C94-C97 VanDerWaalsContact SG-SG 3.6Å
98S95.9Very high95.1Very high7 Ų764.5 Ų64.55%0.04934%0.336CS..EExtended strand (participates in β ladder)trans-152.9159-175.7660000113.6F93 C94 A165F93-S98 WeakPolarHBondContact CB-OG 3.2Å; C94-S98 PolarHBondContact O-N 2.69Å; C94-S98 PolarHBondContact O-OG 2.92Å; S98-A165 CarbonylContact C-O 3.57Å; S98-A165 WeakPolarHBondContact CA-O 3.43Å; S98-A165 WeakPolarHBondContact CB-O 3.3Å
99V95.8Very high95.1Very high10 Ų1068.7 Ų68.76%0.06135%0.354CS..EExtended strand (participates in β ladder)trans-119.8128.2170.7-179.20000108.9L82 F101 V127 Y164 A165L82-V99 HydrophobicContact CD1-CG2 4.35Å; V99-F101 HydrophobicContact CB-CE2 4.11Å; V99-F101 HydrophobicContact CG1-CD2 4.37Å; V99-F101 HydrophobicContact CG1-CE2 3.72Å; V99-F101 HydrophobicContact CG1-CZ 4.11Å; V99-V127 HydrophobicContact CB-CG1 4.45Å; V99-V127 HydrophobicContact CG1-CB 4.16Å; V99-V127 HydrophobicContact CG1-CG1 4.28Å; V99-V127 HydrophobicContact CG2-CB 4.25Å; V99-V127 HydrophobicContact CG2-CG1 4.26Å; V99-V127 HydrophobicContact CG2-CG2 4.13Å; V99-Y164 CarbonylContact O-C 3.6Å; V99-Y164 WeakPolarHBondContact O-CA 3.5Å; V99-A165 HydrophobicContact CB-CB 4.43Å; V99-A165 PolarHBondContact N-O 3.27Å; V99-A165 PolarHBondContact O-N 3.49Å
100E96.9Very high95.1Very high40 Ų4067.8 Ų67.819%0.18734%0.344CS..EExtended strand (participates in β ladder)trans-86.5139.5179.2-177.2-174.7170.700111.8N123 R162 A163 Y164E100-N123 HydrophobicContact CB-CB 3.99Å; E100-N123 WeakPolarHBondContact O-CB 3.39Å; E100-N123 PolarHBondContact O-N 3.14Å; E100-N123 PolarHBondContact OE2-ND2 3.46Å; E100-R162 HydrophobicContact CG-CG 4.37Å; E100-R162 IonicContact OE1-CZ 3.87Å; E100-R162 IonicContact OE1-NE 3.03Å; E100-R162 PolarHBondContact OE1-NE 3Å; E100-R162 IonicContact OE1-NH2 3.57Å; E100-R162 PolarHBondContact OE1-NH2 3.35Å; E100-R162 IonicContact OE2-CZ 3.91Å; E100-R162 IonicContact OE2-NH2 3.91Å; E100-R162 PolarHBondContact OE2-NH2 3.39Å; E100-A163 CarbonylContact C-O 3.47Å; E100-A163 WeakPolarHBondContact CA-O 3.46Å; E100-Y164 HydrophobicContact CB-CD1 4.12Å; E100-Y164 HydrophobicContact CB-CE1 3.88Å; E100-Y164 HydrophobicContact CG-CE1 4.04Å
101F97.3Very high95.2Very high0 Ų072.1 Ų72.10%036%0.36CS..EExtended strand (participates in β ladder)trans-127.8143.9173.7-69.7-92.4000110.6I47 L73 V99 L120 I121 V127 R162 A163 A165I47-F101 HydrophobicContact CG1-CD2 4.46Å; L73-F101 HydrophobicContact CD1-CE2 3.65Å; L73-F101 HydrophobicContact CD1-CZ 3.66Å; L73-F101 HydrophobicContact CD2-CE1 4.05Å; L73-F101 HydrophobicContact CD2-CE2 4.5Å; L73-F101 HydrophobicContact CD2-CZ 3.78Å; L73-F101 HydrophobicContact CG-CZ 4.3Å; V99-F101 HydrophobicContact CB-CE2 4.11Å; V99-F101 HydrophobicContact CG1-CD2 4.37Å; V99-F101 HydrophobicContact CG1-CE2 3.72Å; V99-F101 HydrophobicContact CG1-CZ 4.11Å; F101-L120 HydrophobicContact CB-CD2 4.33Å; F101-L120 HydrophobicContact CD1-CB 4.34Å; F101-I121 CarbonylContact C-O 3.55Å; F101-I121 VanDerWaalsContact CA-O 3.3Å; F101-I121 WeakPolarHBondContact CA-O 3.26Å; F101-V127 HydrophobicContact CZ-CG1 4.11Å; F101-V127 WeakPolarHBondContact CZ-O 3.22Å; F101-R162 CarbonylContact O-C 3.42Å; F101-R162 WeakPolarHBondContact O-CA 3.46Å; F101-A163 HydrophobicContact CB-CB 4.23Å; F101-A163 PolarHBondContact N-O 3.25Å; F101-A163 PolarHBondContact O-N 2.96Å; F101-A165 HydrophobicContact CD2-CB 4.19Å; F101-A165 HydrophobicContact CE2-CB 3.72Å
102T97.7Very high95.4Very high39 Ų3965.3 Ų65.324%0.23933%0.332CS..EExtended strand (participates in β ladder)trans-126.5139.5175.9-520000109.9I121T102-I121 PolarHBondContact N-O 3.23Å; T102-I121 PolarHBondContact O-N 2.56Å
103L97.1Very high95.6Very high0 Ų062.2 Ų62.20%031%0.314CS..EExtended strand (participates in β ladder)trans-135.7106.5176178.669.8000109.5V105 V115 D119 L120 I150 L159 R160 L161L103-V105 HydrophobicContact CD1-CG2 3.76Å; L103-V105 HydrophobicContact CG-CG2 4.35Å; L103-V115 HydrophobicContact CD1-CG1 3.97Å; L103-V115 HydrophobicContact CD2-CG1 4.11Å; L103-V115 HydrophobicContact CG-CG1 4.48Å; L103-D119 VanDerWaalsContact CD1-C 3.49Å; L103-D119 HydrophobicContact CD1-CB 3.45Å; L103-D119 VanDerWaalsContact CD1-CB 3.45Å; L103-D119 VanDerWaalsContact CD1-O 3.28Å; L103-D119 WeakPolarHBondContact CD1-O 3.24Å; L103-L120 HydrophobicContact CB-CD2 3.97Å; L103-I150 HydrophobicContact CD2-CD1 4.22Å; L103-L159 HydrophobicContact CD2-CD2 3.75Å; L103-L159 HydrophobicContact CD2-CG 4.49Å; L103-R160 WeakPolarHBondContact O-CA 3.38Å; L103-L161 HydrophobicContact CB-CD1 3.66Å; L103-L161 HydrophobicContact CB-CG 3.9Å; L103-L161 HydrophobicContact CD2-CD1 4.3Å; L103-L161 HydrophobicContact CD2-CD2 4.11Å; L103-L161 HydrophobicContact CD2-CG 4.21Å; L103-L161 PolarHBondContact N-O 3.33Å; L103-L161 PolarHBondContact O-N 3.48Å
104D97.3Very high95.7Very high95 Ų9564.2 Ų64.251%0.50832%0.323SS..EExtended strand (participates in β ladder)trans-12594.1-176.7-66.2-9.9000109.6R160D104-R160 HydrophobicContact CB-CG 4.49Å; D104-R160 WeakPolarHBondContact OD1-CG 3.43Å
105V97.2Very high95.8Very high15 Ų1562.9 Ų62.99%0.09131%0.314CS..EExtended strand (participates in β ladder)trans-129.2131.1-175.5-172.30000111.2L103 R113 V115 D119 L153 E158 L159L103-V105 HydrophobicContact CD1-CG2 3.76Å; L103-V105 HydrophobicContact CG-CG2 4.35Å; V105-R113 HydrophobicContact CG1-CG 4.19Å; V105-V115 HydrophobicContact CB-CG2 4.27Å; V105-V115 HydrophobicContact CG1-CG2 3.96Å; V105-V115 HydrophobicContact CG2-CG1 4.21Å; V105-D119 HydrophobicContact CG2-CB 3.89Å; V105-L153 HydrophobicContact CB-CD1 4.49Å; V105-L153 HydrophobicContact CG1-CD1 4.18Å; V105-E158 CarbonylContact O-C 3.57Å; V105-E158 VanDerWaalsContact O-CA 3.24Å; V105-E158 WeakPolarHBondContact O-CA 3.5Å; V105-L159 PolarHBondContact N-O 3.45Å; V105-L159 PolarHBondContact O-N 3.15Å
106R97Very high95.9Very high144 Ų14458.3 Ų58.354%0.54328%0.284SS..EExtended strand (participates in β ladder)trans-128.1133172.5178.5-179.2-86.7-171-8.7110.2N108 E158R106-N108 WeakPolarHBondContact CD-OD1 3.45Å; R106-E158 HydrophobicContact CB-CB 3.94Å; R106-E158 HydrophobicContact CG-CB 4.08Å; R106-E158 IonicContact CZ-OE2 2.76Å; R106-E158 IonicContact NE-OE2 3.21Å; R106-E158 PolarHBondContact NE-OE2 3.25Å; R106-E158 IonicContact NH2-OE1 2.75Å; R106-E158 IonicContact NH2-OE2 2.7Å; R106-E158 PolarHBondContact NH2-OE2 3.34Å
107C96.6Very high95.9Very high1 Ų152.3 Ų52.31%0.00726%0.256CS..  trans-89.5109.2176.4-171.40000110.6Q111 R113 L153 R154 K155 G156 Q157C107-Q111 PolarHBondContact SG-O 3.41Å; C107-R113 HydrophobicContact CB-CB 3.89Å; C107-R113 VanDerWaalsContact SG-CB 3.55Å; C107-L153 HydrophobicContact CB-CB 3.8Å; C107-R154 WeakPolarHBondContact CB-O 3.44Å; C107-K155 WeakPolarHBondContact O-CA 3.4Å; C107-G156 PolarHBondContact O-N 2.66Å; C107-Q157 PolarHBondContact N-O 3.05Å
108N95.2Very high95.7Very high121 Ų12157.4 Ų57.465%0.64728%0.276SS*.  trans-100.8-23.2179.5-63.4-40.5000113.3R106 K155R106-N108 WeakPolarHBondContact CD-OD1 3.45Å; N108-K155 WeakPolarHBondContact O-CE 3.28Å
109E95.1Very high95.6Very high104 Ų10458.7 Ų58.749%0.48628%0.282SS..SBendtrans-83.3159.9-179.862.2-162.7169.300112.3Q111 K155E109-Q111 VanDerWaalsContact C-N 3.25Å; E109-Q111 HydrophobicContact CG-CB 4.16Å; E109-K155 VanDerWaalsContact O-CB 3.26Å; E109-K155 WeakPolarHBondContact O-CB 3.23Å
110D94.6Very high95.6Very high132 Ų13258.7 Ų58.771%0.70628%0.282SS*.SBendtrans-74-18.8175.8-69.2-65.2000112.5K155D110-K155 WeakPolarHBondContact OD1-CD 3.49Å; D110-K155 WeakPolarHBondContact OD1-CE 3.44Å; D110-K155 IonicContact OD1-NZ 3.87Å; D110-K155 PolarHBondContact OD1-NZ 3.02Å; D110-K155 IonicContact OD2-NZ 3.27Å; D110-K155 PolarHBondContact OD2-NZ 3.27Å
111Q95.7Very high95.4Very high134 Ų13462.2 Ų62.263%0.62630%0.3SS*.SBendtrans-71.2147.6172.7-172.25735.300110.6C107 E109 R113C107-Q111 PolarHBondContact SG-O 3.41Å; E109-Q111 VanDerWaalsContact C-N 3.25Å; E109-Q111 HydrophobicContact CG-CB 4.16Å; Q111-R113 PolarHBondContact O-N 3.02Å
112T95.2Very high95.3Very high58 Ų5863.4 Ų63.436%0.35631%0.309SS..PPolyproline II helixtrans-69120.8175.8-60.80000109.8H114 K152 L153T112-H114 PolarHBondContact O-CD2 2.76Å; T112-K152 HydrophobicContact CG2-CB 3.86Å; T112-K152 HydrophobicContact CG2-CD 4.48Å; T112-K152 HydrophobicContact CG2-CG 4.5Å; T112-L153 WeakPolarHBondContact CA-O 3.1Å
113R94.8Very high95.1Very high88 Ų8866.9 Ų66.933%0.33233%0.326SS..EExtended strand (participates in β ladder)trans-81.3118.9174.4175.159.6-179.4-118.7-0.4109.5V105 C107 Q111 D119 L153V105-R113 HydrophobicContact CG1-CG 4.19Å; C107-R113 HydrophobicContact CB-CB 3.89Å; C107-R113 VanDerWaalsContact SG-CB 3.55Å; Q111-R113 PolarHBondContact O-N 3.02Å; R113-D119 IonicContact NH2-OD1 2.72Å; R113-D119 PolarHBondContact NH2-OD1 3.05Å; R113-D119 IonicContact NH2-OD2 2.66Å; R113-L153 HydrophobicContact CB-CB 4.35Å; R113-L153 PolarHBondContact N-O 3.09Å; R113-L153 PolarHBondContact O-N 3.1Å
114H95.5Very high94.7Very high87 Ų8768.4 Ų68.440%0.40334%0.337SS..EExtended strand (participates in β ladder)trans-82.4118.4168.7-67.5-99.2000108.6T112 T116 L149 K152T112-H114 PolarHBondContact O-CD2 2.76Å; H114-T116 HydrophobicContact CB-CG2 4.47Å; H114-L149 HydrophobicContact CB-CD1 3.88Å; H114-K152 VanDerWaalsContact CE1-CE 3.43Å; H114-K152 WeakPolarHBondContact CE1-CE 2.95Å
115V95.6Very high94.2Very high0 Ų069.4 Ų69.40%035%0.348CS..EExtended strand (participates in β ladder)trans-91.3118.6172.3-176.30000107.6L103 V105 D119 I150 V151 L153L103-V115 HydrophobicContact CD1-CG1 3.97Å; L103-V115 HydrophobicContact CD2-CG1 4.11Å; L103-V115 HydrophobicContact CG-CG1 4.48Å; V105-V115 HydrophobicContact CB-CG2 4.27Å; V105-V115 HydrophobicContact CG1-CG2 3.96Å; V105-V115 HydrophobicContact CG2-CG1 4.21Å; V115-D119 WeakPolarHBondContact CA-OD2 3.29Å; V115-D119 HydrophobicContact CG1-CB 4.32Å; V115-I150 HydrophobicContact CG1-CB 4.41Å; V115-I150 HydrophobicContact CG1-CD1 4.49Å; V115-I150 PolarHBondContact O-N 2.82Å; V115-V151 HydrophobicContact CB-CG1 3.71Å; V115-V151 WeakPolarHBondContact CB-O 3.29Å; V115-V151 HydrophobicContact CG1-CG1 4.27Å; V115-V151 HydrophobicContact CG2-CG1 3.79Å; V115-V151 PolarHBondContact N-O 3.15Å; V115-V151 PolarHBondContact O-N 3.38Å; V115-L153 HydrophobicContact CG2-CD1 3.54Å; V115-L153 HydrophobicContact CG2-CG 3.76Å
116T95Very high93.8Very high23 Ų2376 Ų7614%0.14137%0.372CS..EExtended strand (participates in β ladder)trans-119.5173.7-175.371.80000112H114 R118 D119 D147 I148 L149 I150H114-T116 HydrophobicContact CB-CG2 4.47Å; T116-R118 PolarHBondContact O-N 2.99Å; T116-R118 VanDerWaalsContact O-N 3.12Å; T116-R118 PolarHBondContact OG1-N 3.3Å; T116-D119 PolarHBondContact N-OD2 3.21Å; T116-D119 VanDerWaalsContact N-OD2 3.13Å; T116-D119 WeakPolarHBondContact O-CB 3.26Å; T116-D119 PolarHBondContact O-N 2.76Å; T116-D147 VanDerWaalsContact CB-CB 3.48Å; T116-D147 HydrophobicContact CG2-CB 4.15Å; T116-D147 WeakPolarHBondContact OG1-CB 3.33Å; T116-D147 PolarHBondContact OG1-OD2 3.45Å; T116-I148 CarbonylContact C-O 3.57Å; T116-I148 VanDerWaalsContact CA-O 3.27Å; T116-I148 WeakPolarHBondContact CA-O 3.41Å; T116-L149 HydrophobicContact CG2-CD1 4.43Å; T116-I150 WeakPolarHBondContact O-CD1 3.45Å
117S94.1Very high93.6Very high0 Ų069.2 Ų69.20%035%0.346CS..G310 helixtrans-57-23174.750.90000113.3D119 L120 T131 I148S117-D119 VanDerWaalsContact C-N 3.28Å; S117-D119 PolarHBondContact O-N 3.39Å; S117-L120 WeakPolarHBondContact O-CB 3.32Å; S117-L120 PolarHBondContact O-N 3.17Å; S117-T131 PolarHBondContact OG-OG1 2.77Å; S117-I148 PolarHBondContact N-O 3.06Å; S117-I148 PolarHBondContact OG-N 2.78Å
118R90.2Very high93.3Very high108 Ų10871.3 Ų71.341%0.40836%0.357SS..G310 helixtrans-67.2-28174.9-177.6-175.7-63.1142.74.3113.3T116 L120 D147T116-R118 PolarHBondContact O-N 2.99Å; T116-R118 VanDerWaalsContact O-N 3.12Å; T116-R118 PolarHBondContact OG1-N 3.3Å; R118-L120 PolarHBondContact O-N 2.83Å; R118-D147 VanDerWaalsContact CB-OD2 3.26Å; R118-D147 WeakPolarHBondContact CB-OD2 3.34Å; R118-D147 IonicContact CZ-OD1 3.89Å; R118-D147 IonicContact CZ-OD2 2.67Å; R118-D147 IonicContact NE-OD1 3.95Å; R118-D147 IonicContact NE-OD2 2.74Å; R118-D147 PolarHBondContact NE-OD2 3.48Å; R118-D147 IonicContact NH1-OD2 2.68Å; R118-D147 PolarHBondContact NH1-OD2 2.99Å; R118-D147 IonicContact NH2-OD1 3.09Å; R118-D147 PolarHBondContact NH2-OD1 3.32Å; R118-D147 IonicContact NH2-OD2 2.56Å; R118-D147 PolarHBondContact NH2-OD2 3.31Å
119D93.8Very high93.2Very high33 Ų3365.7 Ų65.718%0.17633%0.327CS..G310 helixtrans-74-9178.4-64.3-49.1000111.8L103 V105 R113 V115 T116 S117 I121L103-D119 VanDerWaalsContact CD1-C 3.49Å; L103-D119 HydrophobicContact CD1-CB 3.45Å; L103-D119 VanDerWaalsContact CD1-CB 3.45Å; L103-D119 VanDerWaalsContact CD1-O 3.28Å; L103-D119 WeakPolarHBondContact CD1-O 3.24Å; V105-D119 HydrophobicContact CG2-CB 3.89Å; R113-D119 IonicContact NH2-OD1 2.72Å; R113-D119 PolarHBondContact NH2-OD1 3.05Å; R113-D119 IonicContact NH2-OD2 2.66Å; V115-D119 WeakPolarHBondContact CA-OD2 3.29Å; V115-D119 HydrophobicContact CG1-CB 4.32Å; T116-D119 PolarHBondContact N-OD2 3.21Å; T116-D119 VanDerWaalsContact N-OD2 3.13Å; T116-D119 WeakPolarHBondContact O-CB 3.26Å; T116-D119 PolarHBondContact O-N 2.76Å; S117-D119 VanDerWaalsContact C-N 3.28Å; S117-D119 PolarHBondContact O-N 3.39Å; D119-I121 PolarHBondContact O-N 2.67Å
120L94.9Very high92.9Very high11 Ų1162.1 Ų62.16%0.05831%0.312CS..  trans-75.9115.4173.3-75.4163.2000110.9L68 I71 F101 L103 S117 R118 P129 I150L68-L120 HydrophobicContact CD2-CD1 4.13Å; L68-L120 HydrophobicContact CD2-CD2 4.11Å; I71-L120 HydrophobicContact CD1-CD1 3.8Å; F101-L120 HydrophobicContact CB-CD2 4.33Å; F101-L120 HydrophobicContact CD1-CB 4.34Å; L103-L120 HydrophobicContact CB-CD2 3.97Å; S117-L120 WeakPolarHBondContact O-CB 3.32Å; S117-L120 PolarHBondContact O-N 3.17Å; R118-L120 PolarHBondContact O-N 2.83Å; L120-P129 HydrophobicContact CB-CG 4.44Å; L120-P129 HydrophobicContact CD1-CG 4.33Å; L120-I150 HydrophobicContact CD1-CD1 4.14Å; L120-I150 HydrophobicContact CG-CD1 4.28Å
121I94.5Very high92.1Very high113 Ų11357.2 Ų57.258%0.57929%0.287SS*.EExtended strand (participates in β ladder)trans-91.6115.2176.8-56.9170.2000108.2F101 T102 D119F101-I121 CarbonylContact C-O 3.55Å; F101-I121 VanDerWaalsContact CA-O 3.3Å; F101-I121 WeakPolarHBondContact CA-O 3.26Å; T102-I121 PolarHBondContact N-O 3.23Å; T102-I121 PolarHBondContact O-N 2.56Å; D119-I121 PolarHBondContact O-N 2.67Å
122S94Very high90.7Very high25 Ų2552.8 Ų52.818%0.17527%0.27CS..EExtended strand (participates in β ladder)trans-87141.2175.4-172.90000111.6S124 V127S122-S124 PolarHBondContact OG-N 2.73Å; S122-S124 VanDerWaalsContact OG-N 3.14Å; S122-S124 PolarHBondContact OG-O 3.03Å; S122-V127 VanDerWaalsContact CB-O 3.26Å; S122-V127 WeakPolarHBondContact CB-O 3.38Å; S122-V127 PolarHBondContact OG-O 2.68Å
123N92.8Very high89.2Confident113 Ų11355.8 Ų55.860%0.60428%0.275SS*.SBendtrans-71.9-21169.2-165.2-2000111.9E100E100-N123 HydrophobicContact CB-CB 3.99Å; E100-N123 WeakPolarHBondContact O-CB 3.39Å; E100-N123 PolarHBondContact O-N 3.14Å; E100-N123 PolarHBondContact OE2-ND2 3.46Å
124S89.9Confident87.4Confident32 Ų3255.2 Ų55.222%0.22428%0.279CS..SBendtrans-114.9120.8177.8-179.40000111.3S122 R126 V127S122-S124 PolarHBondContact OG-N 2.73Å; S122-S124 VanDerWaalsContact OG-N 3.14Å; S122-S124 PolarHBondContact OG-O 3.03Å; S124-R126 PolarHBondContact O-N 3.03Å; S124-V127 PolarHBondContact O-N 2.94Å
125P87.3Confident85.3Confident116 Ų11659 Ų5975%0.75329%0.29SS*.THydrogen-bonded Turntrans-67-13.1-177.828-35.5000113.6
126R87.9Confident83.2Confident154 Ų15465.9 Ų65.958%0.58133%0.326SS*.THydrogen-bonded Turntrans-90.8-19.2178.9-58.7-166.5-156-174.51.6113.8I78 S124I78-R126 HydrophobicContact CG1-CB 4.1Å; S124-R126 PolarHBondContact O-N 3.03Å
127V92Very high81.2Confident0 Ų071.7 Ų71.70%036%0.357CS..SBendtrans-11590.4-178.7-175.10000107I45 L73 I78 V99 F101 S122 S124I45-V127 HydrophobicContact CD1-CG1 4.44Å; I45-V127 HydrophobicContact CD1-CG2 4.28Å; I45-V127 HydrophobicContact CG2-CG1 4.22Å; L73-V127 HydrophobicContact CB-CG1 4.16Å; L73-V127 HydrophobicContact CD1-CG1 4.44Å; I78-V127 HydrophobicContact CB-CG2 3.93Å; I78-V127 HydrophobicContact CG1-CG2 3.92Å; I78-V127 HydrophobicContact CG2-CG2 3.8Å; V99-V127 HydrophobicContact CB-CG1 4.45Å; V99-V127 HydrophobicContact CG1-CB 4.16Å; V99-V127 HydrophobicContact CG1-CG1 4.28Å; V99-V127 HydrophobicContact CG2-CB 4.25Å; V99-V127 HydrophobicContact CG2-CG1 4.26Å; V99-V127 HydrophobicContact CG2-CG2 4.13Å; F101-V127 HydrophobicContact CZ-CG1 4.11Å; F101-V127 WeakPolarHBondContact CZ-O 3.22Å; S122-V127 VanDerWaalsContact CB-O 3.26Å; S122-V127 WeakPolarHBondContact CB-O 3.38Å; S122-V127 PolarHBondContact OG-O 2.68Å; S124-V127 PolarHBondContact O-N 2.94Å
128I92.1Very high79Confident46 Ų4675.7 Ų75.724%0.23638%0.378CS..  trans-130160.8-178.460.8179.7000108.9I74I74-I128 HydrophobicContact CD1-CD1 4.35Å; I74-I128 HydrophobicContact CD1-CG1 3.77Å; I74-I128 WeakPolarHBondContact CG1-O 3.27Å; I74-I128 PolarHBondContact N-O 3.4Å
129P92.8Very high77.2Confident2 Ų276.6 Ų76.61%0.01340%0.398CS..BIsolated β-bridgetrans-57.9143.3173.5-25.236.8000112I71 P72 L73 L120 T131 S132I71-P129 HydrophobicContact CG2-CB 4.07Å; I71-P129 HydrophobicContact CG2-CG 4.37Å; P72-P129 WeakPolarHBondContact O-CA 3.47Å; L73-P129 HydrophobicContact CD2-CG 4.11Å; L120-P129 HydrophobicContact CB-CG 4.44Å; L120-P129 HydrophobicContact CD1-CG 4.33Å; P129-T131 PolarHBondContact O-N 3.37Å; P129-T131 VanDerWaalsContact O-N 3.15Å; P129-S132 WeakPolarHBondContact O-CB 3.17Å; P129-S132 PolarHBondContact O-N 2.89Å
130V87.5Confident75.1Confident30 Ų3080.6 Ų80.618%0.18242%0.419CS..G310 helixtrans-54.5-38.1-175.3177.50000112.6P72 I74 S132 R133 G237P72-V130 HydrophobicContact CB-CG2 3.79Å; P72-V130 HydrophobicContact CG-CB 4.33Å; P72-V130 HydrophobicContact CG-CG2 3.9Å; P72-V130 PolarHBondContact O-N 3.44Å; I74-V130 HydrophobicContact CG1-CG2 4.16Å; V130-S132 PolarHBondContact O-N 3.05Å; V130-S132 VanDerWaalsContact O-N 3.09Å; V130-R133 WeakPolarHBondContact O-CB 3.24Å; V130-R133 PolarHBondContact O-N 3.2Å; V130-R133 VanDerWaalsContact O-N 3.1Å; V130-G237 VanDerWaalsContact CG2-C 3.43Å; V130-G237 VanDerWaalsContact CG2-O 3.31Å; V130-G237 WeakPolarHBondContact CG2-O 3.47Å
131T77.8Confident73Confident29 Ų2984.4 Ų84.418%0.17844%0.44CS..G310 helixtrans-64.8-16.2-17868.10000113.7S117 P129 R133 D147 I148S117-T131 PolarHBondContact OG-OG1 2.77Å; P129-T131 PolarHBondContact O-N 3.37Å; P129-T131 VanDerWaalsContact O-N 3.15Å; T131-R133 VanDerWaalsContact C-N 3.33Å; T131-D147 VanDerWaalsContact CB-OD1 3.29Å; T131-D147 WeakPolarHBondContact CB-OD1 3.44Å; T131-D147 PolarHBondContact OG1-OD1 2.98Å; T131-I148 HydrophobicContact CG2-CD1 4.47Å; T131-I148 HydrophobicContact CG2-CG1 4.18Å
132S67.4Low70.7Confident40 Ų4089.5 Ų89.528%0.2845%0.453SS..G310 helixtrans-78-14.8176.9-59.50000113.7P129 V130P129-S132 WeakPolarHBondContact O-CB 3.17Å; P129-S132 PolarHBondContact O-N 2.89Å; V130-S132 PolarHBondContact O-N 3.05Å; V130-S132 VanDerWaalsContact O-N 3.09Å
133R62.6Low68.6Low121 Ų12192.5 Ų92.546%0.45747%0.47SS..THydrogen-bonded Turntrans-80.2-36.4-174-146.6-171.9-178.4159.3-0.5113.9I74 D76 V130 T131 R135I74-R133 HydrophobicContact CD1-CB 3.9Å; I74-R133 HydrophobicContact CD1-CG 3.92Å; D76-R133 IonicContact OD2-CZ 2.77Å; D76-R133 IonicContact OD2-NH1 3.07Å; D76-R133 PolarHBondContact OD2-NH1 3.36Å; D76-R133 VanDerWaalsContact OD2-NH1 3.09Å; D76-R133 IonicContact OD2-NH2 3.01Å; V130-R133 WeakPolarHBondContact O-CB 3.24Å; V130-R133 PolarHBondContact O-N 3.2Å; V130-R133 VanDerWaalsContact O-N 3.1Å; T131-R133 VanDerWaalsContact C-N 3.33Å; R133-R135 VanDerWaalsContact C-N 3.31Å; R133-R135 PolarHBondContact O-N 3.03Å
134N57.3Low66.7Low77 Ų7795 Ų9541%0.41248%0.478SS..G310 helixtrans-78.4-9.6-166.2-75.92.6000114.8D136 Q145N134-D136 VanDerWaalsContact C-N 3.3Å; N134-D136 PolarHBondContact O-N 3.21Å; N134-Q145 PolarHBondContact ND2-NE2 3.38Å; N134-Q145 PolarHBondContact ND2-OE1 3.06Å
135R51.7Low65Low166 Ų16697.6 Ų97.663%0.62649%0.487SS*.G310 helixtrans-70.2-23.7179.8-89-168.7162.7-169-5.3114.7R133R133-R135 VanDerWaalsContact C-N 3.31Å; R133-R135 PolarHBondContact O-N 3.03Å
136D51.9Low64Low144 Ų14498.1 Ų98.177%0.7748%0.484SS*.G310 helixtrans-82.7-18.4-173.8-65.7-20.9000112.8N134N134-D136 VanDerWaalsContact C-N 3.3Å; N134-D136 PolarHBondContact O-N 3.21Å
137N52.7Low64Low146 Ų14691.4 Ų91.478%0.78146%0.459SS*.THydrogen-bonded Turntrans-93-23.7-169.5-79.4-18.6000115
138D48.6Very low64.1Low84 Ų8494.2 Ų94.245%0.44947%0.474SS..  trans-154.3111.1172.5-157.8-19.7000113.4N140 D141D138-N140 PolarHBondContact O-N 3.2Å; D138-N140 WeakPolarHBondContact OD1-CB 3.5Å; D138-N140 PolarHBondContact OD1-N 3.27Å; D138-D141 HydrophobicContact CB-CB 4.35Å
139P51.3Low64.2Low127 Ų12794.8 Ų94.883%0.82548%0.477SS*.THydrogen-bonded Turntrans-65.3-14.8173.2-17.730.1000114.5
140N51Low64.4Low116 Ų11694.8 Ų94.862%0.6248%0.477SS*.THydrogen-bonded Turntrans-100.71.9-176.3-71.8-46.7000114D138 Y142D138-N140 PolarHBondContact O-N 3.2Å; D138-N140 WeakPolarHBondContact OD1-CB 3.5Å; D138-N140 PolarHBondContact OD1-N 3.27Å; N140-Y142 WeakPolarHBondContact O-CD2 3.25Å; N140-Y142 PolarHBondContact O-N 3.12Å
141D50.9Low64.9Low92 Ų9293.6 Ų93.649%0.49247%0.469SS..  trans-76.593.2176.3-154.78.4000109.1D138 V143D138-D141 HydrophobicContact CB-CB 4.35Å; D141-V143 PolarHBondContact O-N 2.9Å; D141-V143 VanDerWaalsContact OD1-CG2 3.28Å; D141-V143 WeakPolarHBondContact OD1-CG2 3.48Å
142Y45.5Very low65.8Low219 Ų21997.5 Ų97.586%0.85948%0.484SS*.  trans-68.29.3174.1-73.1-87000112.8N140 E144N140-Y142 WeakPolarHBondContact O-CD2 3.25Å; N140-Y142 PolarHBondContact O-N 3.12Å; Y142-E144 PolarHBondContact O-N 3.3Å
143V48.9Very low67.2Low88 Ų8895.6 Ų95.653%0.53347%0.471SS..  trans-70.9103.1164.3-176.10000105.8D141 Q145D141-V143 PolarHBondContact O-N 2.9Å; D141-V143 VanDerWaalsContact OD1-CG2 3.28Å; D141-V143 WeakPolarHBondContact OD1-CG2 3.48Å; V143-Q145 HydrophobicContact CG1-CG 4.33Å; V143-Q145 PolarHBondContact O-N 3.18Å
144E53.4Low68.9Low166 Ų16698.7 Ų98.778%0.77648%0.482SS*.  trans-54.582.3164.6-156.9169.3-151.900106.7Y142 D146Y142-E144 PolarHBondContact O-N 3.3Å; E144-D146 PolarHBondContact O-N 2.81Å
145Q54.7Low70.8Confident87 Ų87100 Ų10041%0.40748%0.484SS..  trans-72.386.9178.5-111.2173.410.200105.5N134 V143 D147N134-Q145 PolarHBondContact ND2-NE2 3.38Å; N134-Q145 PolarHBondContact ND2-OE1 3.06Å; V143-Q145 HydrophobicContact CG1-CG 4.33Å; V143-Q145 PolarHBondContact O-N 3.18Å; Q145-D147 PolarHBondContact O-N 3.1Å
146D66.6Low72.9Confident127 Ų12794.8 Ų94.868%0.67948%0.482SS*.  trans-60.6110.3179.6-84.6-26.4000107.9E144E144-D146 PolarHBondContact O-N 2.81Å
147D87.2Confident75.1Confident12 Ų1289.7 Ų89.76%0.06445%0.454CS..  trans-53.1152.7166.5-63.9-50.9000110T116 R118 T131 Q145 L149T116-D147 VanDerWaalsContact CB-CB 3.48Å; T116-D147 HydrophobicContact CG2-CB 4.15Å; T116-D147 WeakPolarHBondContact OG1-CB 3.33Å; T116-D147 PolarHBondContact OG1-OD2 3.45Å; R118-D147 VanDerWaalsContact CB-OD2 3.26Å; R118-D147 WeakPolarHBondContact CB-OD2 3.34Å; R118-D147 IonicContact CZ-OD1 3.89Å; R118-D147 IonicContact CZ-OD2 2.67Å; R118-D147 IonicContact NE-OD1 3.95Å; R118-D147 IonicContact NE-OD2 2.74Å; R118-D147 PolarHBondContact NE-OD2 3.48Å; R118-D147 IonicContact NH1-OD2 2.68Å; R118-D147 PolarHBondContact NH1-OD2 2.99Å; R118-D147 IonicContact NH2-OD1 3.09Å; R118-D147 PolarHBondContact NH2-OD1 3.32Å; R118-D147 IonicContact NH2-OD2 2.56Å; R118-D147 PolarHBondContact NH2-OD2 3.31Å; T131-D147 VanDerWaalsContact CB-OD1 3.29Å; T131-D147 WeakPolarHBondContact CB-OD1 3.44Å; T131-D147 PolarHBondContact OG1-OD1 2.98Å; Q145-D147 PolarHBondContact O-N 3.1Å; D147-L149 PolarHBondContact O-N 2.52Å
148I94Very high77.3Confident60 Ų6084.4 Ų84.431%0.30842%0.424SS..  trans-64.7115.5-177.3-62.4166.6000109.1I71 P72 T116 S117 T131 I150I71-I148 HydrophobicContact CG1-CG2 4.18Å; I71-I148 HydrophobicContact CG2-CD1 4.26Å; P72-I148 VanDerWaalsContact CD-CD1 3.46Å; P72-I148 HydrophobicContact CG-CD1 4.07Å; T116-I148 CarbonylContact C-O 3.57Å; T116-I148 VanDerWaalsContact CA-O 3.27Å; T116-I148 WeakPolarHBondContact CA-O 3.41Å; S117-I148 PolarHBondContact N-O 3.06Å; S117-I148 PolarHBondContact OG-N 2.78Å; T131-I148 HydrophobicContact CG2-CD1 4.47Å; T131-I148 HydrophobicContact CG2-CG1 4.18Å; I148-I150 PolarHBondContact O-N 2.89Å
149L95.3Very high79.6Confident57 Ų5780.4 Ų80.430%0.29840%0.403SS..EExtended strand (participates in β ladder)trans-66.8124.4177.6-178.270.4000110.6R67 H114 T116 D147 K152R67-L149 PolarHBondContact NH2-O 3.4Å; H114-L149 HydrophobicContact CB-CD1 3.88Å; T116-L149 HydrophobicContact CG2-CD1 4.43Å; D147-L149 PolarHBondContact O-N 2.52Å; L149-K152 HydrophobicContact CD1-CG 4.27Å; L149-K152 HydrophobicContact CD2-CD 4.49Å; L149-K152 HydrophobicContact CD2-CG 4.15Å
150I96.5Very high81.8Confident3 Ų379.3 Ų79.32%0.01538%0.382CS..EExtended strand (participates in β ladder)trans-92.2-59177.1-54.9176.6000109.6I64 R67 L68 I71 L103 V115 T116 L120 I148I64-I150 HydrophobicContact CG2-CG2 4.25Å; R67-I150 WeakPolarHBondContact CD-O 3.31Å; R67-I150 PolarHBondContact NE-O 2.88Å; L68-I150 HydrophobicContact CD2-CD1 3.87Å; L68-I150 HydrophobicContact CD2-CG2 4.24Å; I71-I150 HydrophobicContact CD1-CD1 3.89Å; I71-I150 HydrophobicContact CD1-CG1 3.91Å; L103-I150 HydrophobicContact CD2-CD1 4.22Å; V115-I150 HydrophobicContact CG1-CB 4.41Å; V115-I150 HydrophobicContact CG1-CD1 4.49Å; V115-I150 PolarHBondContact O-N 2.82Å; T116-I150 WeakPolarHBondContact O-CD1 3.45Å; L120-I150 HydrophobicContact CD1-CD1 4.14Å; L120-I150 HydrophobicContact CG-CD1 4.28Å; I148-I150 PolarHBondContact O-N 2.89Å
151V97.4Very high84.1Confident4 Ų473.8 Ų73.82%0.02435%0.353CS..EExtended strand (participates in β ladder)trans-152.6157.2-177.763.70000110.7L59 V115 L153 L159L59-V151 HydrophobicContact CD1-CB 4.01Å; L59-V151 HydrophobicContact CD1-CG2 3.59Å; L59-V151 HydrophobicContact CG-CG2 4.03Å; V115-V151 HydrophobicContact CB-CG1 3.71Å; V115-V151 WeakPolarHBondContact CB-O 3.29Å; V115-V151 HydrophobicContact CG1-CG1 4.27Å; V115-V151 HydrophobicContact CG2-CG1 3.79Å; V115-V151 PolarHBondContact N-O 3.15Å; V115-V151 PolarHBondContact O-N 3.38Å; V151-L153 HydrophobicContact CG1-CD2 4.27Å; V151-L153 HydrophobicContact CG1-CG 4.44Å; V151-L153 HydrophobicContact CG2-CD2 4.38Å; V151-L159 HydrophobicContact CG1-CD2 3.93Å
152K97.2Very high86.3Confident111 Ų11173.8 Ų73.848%0.48335%0.346SS..EExtended strand (participates in β ladder)trans-107.1129.3170.6-61-175.6-173.2-175.70109.1T112 H114 L149T112-K152 HydrophobicContact CG2-CB 3.86Å; T112-K152 HydrophobicContact CG2-CD 4.48Å; T112-K152 HydrophobicContact CG2-CG 4.5Å; H114-K152 VanDerWaalsContact CE1-CE 3.43Å; H114-K152 WeakPolarHBondContact CE1-CE 2.95Å; L149-K152 HydrophobicContact CD1-CG 4.27Å; L149-K152 HydrophobicContact CD2-CD 4.49Å; L149-K152 HydrophobicContact CD2-CG 4.15Å
153L97.6Very high88.8Confident1 Ų163.3 Ų63.31%0.00531%0.305CS..EExtended strand (participates in β ladder)trans-110.1138.3-179.6-61.1178.9000110.5V105 C107 T112 R113 V115 V151 Q157V105-L153 HydrophobicContact CB-CD1 4.49Å; V105-L153 HydrophobicContact CG1-CD1 4.18Å; C107-L153 HydrophobicContact CB-CB 3.8Å; T112-L153 WeakPolarHBondContact CA-O 3.1Å; R113-L153 HydrophobicContact CB-CB 4.35Å; R113-L153 PolarHBondContact N-O 3.09Å; R113-L153 PolarHBondContact O-N 3.1Å; V115-L153 HydrophobicContact CG2-CD1 3.54Å; V115-L153 HydrophobicContact CG2-CG 3.76Å; V151-L153 HydrophobicContact CG1-CD2 4.27Å; V151-L153 HydrophobicContact CG1-CG 4.44Å; V151-L153 HydrophobicContact CG2-CD2 4.38Å; L153-Q157 HydrophobicContact CB-CB 4.25Å; L153-Q157 HydrophobicContact CD2-CB 4.01Å
154R97.3Very high91.1Very high186 Ų18660.3 Ų60.370%0.70228%0.284SS*.  trans-92.3160167.4-167.2173.6-174.7114.83.1110C107 G156 Q157C107-R154 WeakPolarHBondContact CB-O 3.44Å; R154-G156 PolarHBondContact O-N 2.74Å; R154-Q157 HydrophobicContact CB-CG 4.46Å; R154-Q157 VanDerWaalsContact O-CB 3.27Å; R154-Q157 WeakPolarHBondContact O-CB 3.27Å; R154-Q157 WeakPolarHBondContact O-CG 3.44Å; R154-Q157 PolarHBondContact O-N 3.05Å
155K97.3Very high93.2Very high105 Ų10552.4 Ų52.446%0.45725%0.247SC..THydrogen-bonded Turntrans-43127.7172.7-169168178.7174.70112.8C107 N108 E109 D110 Q157C107-K155 WeakPolarHBondContact O-CA 3.4Å; N108-K155 WeakPolarHBondContact O-CE 3.28Å; E109-K155 VanDerWaalsContact O-CB 3.26Å; E109-K155 WeakPolarHBondContact O-CB 3.23Å; D110-K155 WeakPolarHBondContact OD1-CD 3.49Å; D110-K155 WeakPolarHBondContact OD1-CE 3.44Å; D110-K155 IonicContact OD1-NZ 3.87Å; D110-K155 PolarHBondContact OD1-NZ 3.02Å; D110-K155 IonicContact OD2-NZ 3.27Å; D110-K155 PolarHBondContact OD2-NZ 3.27Å; K155-Q157 VanDerWaalsContact C-N 3.32Å
156G96.2Very high95.2Very high56 Ų5649.9 Ų49.958%0.57724%0.235SC*.THydrogen-bonded Turntrans88-13.1-178.400000114.8C107 R154C107-G156 PolarHBondContact O-N 2.66Å; R154-G156 PolarHBondContact O-N 2.74Å
157Q98Very high96.6Very high37 Ų3745 Ų4517%0.17321%0.208CC..  trans-82.5147.1174.5-58.1-173.8-48.700111.3S56 C107 L153 R154 K155S56-Q157 VanDerWaalsContact O-CD 3.3Å; S56-Q157 VanDerWaalsContact O-CG 3.23Å; S56-Q157 WeakPolarHBondContact O-CG 3.46Å; S56-Q157 PolarHBondContact O-NE2 2.81Å; S56-Q157 WeakPolarHBondContact OG-CA 3.38Å; C107-Q157 PolarHBondContact N-O 3.05Å; L153-Q157 HydrophobicContact CB-CB 4.25Å; L153-Q157 HydrophobicContact CD2-CB 4.01Å; R154-Q157 HydrophobicContact CB-CG 4.46Å; R154-Q157 VanDerWaalsContact O-CB 3.27Å; R154-Q157 WeakPolarHBondContact O-CB 3.27Å; R154-Q157 WeakPolarHBondContact O-CG 3.44Å; R154-Q157 PolarHBondContact O-N 3.05Å; K155-Q157 VanDerWaalsContact C-N 3.32Å
158E97.5Very high97.1Very high34 Ų3444.4 Ų44.416%0.15920%0.204CC..EExtended strand (participates in β ladder)trans-140.6154.8177.773.2-178.1-176.400111.8A54 S56 V105 R106 R160A54-E158 HydrophobicContact CB-CG 4.36Å; S56-E158 PolarHBondContact N-O 3.36Å; S56-E158 PolarHBondContact OG-N 3.48Å; S56-E158 PolarHBondContact OG-O 3.17Å; S56-E158 VanDerWaalsContact OG-O 3.09Å; V105-E158 CarbonylContact O-C 3.57Å; V105-E158 VanDerWaalsContact O-CA 3.24Å; V105-E158 WeakPolarHBondContact O-CA 3.5Å; R106-E158 HydrophobicContact CB-CB 3.94Å; R106-E158 HydrophobicContact CG-CB 4.08Å; R106-E158 IonicContact CZ-OE2 2.76Å; R106-E158 IonicContact NE-OE2 3.21Å; R106-E158 PolarHBondContact NE-OE2 3.25Å; R106-E158 IonicContact NH2-OE1 2.75Å; R106-E158 IonicContact NH2-OE2 2.7Å; R106-E158 PolarHBondContact NH2-OE2 3.34Å; E158-R160 IonicContact OE1-NH2 3.96Å; E158-R160 IonicContact OE2-NH2 3.38Å
159L97.8Very high97.2Very high1 Ų143.4 Ų43.41%0.00520%0.198CC..EExtended strand (participates in β ladder)trans-134.3124.8171-177.564.9000107.9A54 N55 I64 L103 V105 V151 L161A54-L159 CarbonylContact O-C 3.54Å; A54-L159 WeakPolarHBondContact O-CA 3.32Å; N55-L159 HydrophobicContact CB-CD1 4.03Å; I64-L159 HydrophobicContact CD1-CD1 3.8Å; I64-L159 HydrophobicContact CD1-CD2 4.2Å; I64-L159 HydrophobicContact CG2-CD2 4.1Å; L103-L159 HydrophobicContact CD2-CD2 3.75Å; L103-L159 HydrophobicContact CD2-CG 4.49Å; V105-L159 PolarHBondContact N-O 3.45Å; V105-L159 PolarHBondContact O-N 3.15Å; V151-L159 HydrophobicContact CG1-CD2 3.93Å; L159-L161 HydrophobicContact CD1-CD2 4.04Å; L159-L161 HydrophobicContact CD2-CD2 3.97Å; L159-L161 HydrophobicContact CG-CD2 3.97Å
160R98.2Very high97.3Very high103 Ų10341.5 Ų41.539%0.38919%0.192SC..EExtended strand (participates in β ladder)trans-130118175.5-160.7-177.1-62.213816.3109.2D53 A54 L103 D104 E158D53-R160 HydrophobicContact CB-CB 4.4Å; D53-R160 HydrophobicContact CB-CG 4.44Å; D53-R160 PolarHBondContact N-O 2.89Å; A54-R160 HydrophobicContact CB-CB 3.97Å; A54-R160 PolarHBondContact N-O 2.75Å; A54-R160 PolarHBondContact O-N 3.36Å; L103-R160 WeakPolarHBondContact O-CA 3.38Å; D104-R160 HydrophobicContact CB-CG 4.49Å; D104-R160 WeakPolarHBondContact OD1-CG 3.43Å; E158-R160 IonicContact OE1-NH2 3.96Å; E158-R160 IonicContact OE2-NH2 3.38Å
161L98.1Very high97.3Very high1 Ų147.6 Ų47.61%0.00522%0.218CC..EExtended strand (participates in β ladder)trans-149.3155.6179.561.684.3000112.9V50 Q51 I52 I64 L68 L103 L159 A163V50-L161 HydrophobicContact CG1-CB 4.39Å; V50-L161 HydrophobicContact CG1-CD1 4.37Å; V50-L161 HydrophobicContact CG1-CD2 4.39Å; Q51-L161 CarbonylContact O-C 3.52Å; Q51-L161 WeakPolarHBondContact O-CA 3.43Å; Q51-L161 VanDerWaalsContact O-CB 3.24Å; Q51-L161 WeakPolarHBondContact O-CB 3.5Å; I52-L161 HydrophobicContact CG1-CB 3.99Å; I52-L161 HydrophobicContact CG1-CD2 4.35Å; I64-L161 HydrophobicContact CG2-CD2 4.05Å; L68-L161 HydrophobicContact CD1-CD1 3.84Å; L68-L161 HydrophobicContact CD1-CD2 3.66Å; L68-L161 HydrophobicContact CD1-CG 4.45Å; L103-L161 HydrophobicContact CB-CD1 3.66Å; L103-L161 HydrophobicContact CB-CG 3.9Å; L103-L161 HydrophobicContact CD2-CD1 4.3Å; L103-L161 HydrophobicContact CD2-CD2 4.11Å; L103-L161 HydrophobicContact CD2-CG 4.21Å; L103-L161 PolarHBondContact N-O 3.33Å; L103-L161 PolarHBondContact O-N 3.48Å; L159-L161 HydrophobicContact CD1-CD2 4.04Å; L159-L161 HydrophobicContact CD2-CD2 3.97Å; L159-L161 HydrophobicContact CG-CD2 3.97Å; L161-A163 HydrophobicContact CD1-CB 4.46Å
162R97.9Very high97.3Very high91 Ų9151.4 Ų51.434%0.34324%0.236SC..EExtended strand (participates in β ladder)trans-120.5135.2172.4-166.9179.8-171.3-167.60.8108.5Q51 E100 F101 Y164Q51-R162 PolarHBondContact N-O 3.04Å; Q51-R162 PolarHBondContact O-N 3.41Å; E100-R162 HydrophobicContact CG-CG 4.37Å; E100-R162 IonicContact OE1-CZ 3.87Å; E100-R162 IonicContact OE1-NE 3.03Å; E100-R162 PolarHBondContact OE1-NE 3Å; E100-R162 IonicContact OE1-NH2 3.57Å; E100-R162 PolarHBondContact OE1-NH2 3.35Å; E100-R162 IonicContact OE2-CZ 3.91Å; E100-R162 IonicContact OE2-NH2 3.91Å; E100-R162 PolarHBondContact OE2-NH2 3.39Å; F101-R162 CarbonylContact O-C 3.42Å; F101-R162 WeakPolarHBondContact O-CA 3.46Å; R162-Y164 HydrophobicContact CG-CE2 4.49Å; R162-Y164 PolarHBondContact NE-OH 2.95Å; R162-Y164 PolarHBondContact NH1-OH 3.23Å; R162-Y164 PolarHBondContact NH2-OH 3Å
163A97.8Very high97.3Very high0 Ų050 Ų500%023%0.231CC..EExtended strand (participates in β ladder)trans-132.9148-176.500000111.5I47 W49 V50 E100 F101 L161I47-A163 HydrophobicContact CD1-CB 4.28Å; I47-A163 HydrophobicContact CG2-CB 3.83Å; W49-A163 CarbonylContact O-C 3.56Å; W49-A163 WeakPolarHBondContact O-CA 3.36Å; V50-A163 HydrophobicContact CG2-CB 4.16Å; E100-A163 CarbonylContact C-O 3.47Å; E100-A163 WeakPolarHBondContact CA-O 3.46Å; F101-A163 HydrophobicContact CB-CB 4.23Å; F101-A163 PolarHBondContact N-O 3.25Å; F101-A163 PolarHBondContact O-N 2.96Å; L161-A163 HydrophobicContact CD1-CB 4.46Å
164Y97.6Very high97.3Very high25 Ų2553.6 Ų53.610%0.09826%0.26CS..EExtended strand (participates in β ladder)trans-119.9125.8172.8-67-90000110D48 W49 F93 V99 E100 R162D48-Y164 PolarHBondContact N-O 3.27Å; W49-Y164 HydrophobicContact CD2-CD2 4.28Å; W49-Y164 AromaticContact CE3-CD2 3.54Å; W49-Y164 HydrophobicContact CE3-CD2 3.54Å; W49-Y164 HydrophobicContact CE3-CE2 4.07Å; W49-Y164 AromaticContact CZ3-CD2 3.86Å; W49-Y164 HydrophobicContact CZ3-CD2 3.86Å; W49-Y164 AromaticContact CZ3-CE2 3.89Å; W49-Y164 HydrophobicContact CZ3-CE2 3.89Å; W49-Y164 PolarHBondContact N-O 3.45Å; W49-Y164 PolarHBondContact O-N 3.38Å; F93-Y164 HydrophobicContact CB-CD1 3.87Å; F93-Y164 HydrophobicContact CB-CE1 3.79Å; F93-Y164 HydrophobicContact CB-CG 4.45Å; F93-Y164 HydrophobicContact CD1-CD1 4.21Å; F93-Y164 HydrophobicContact CD1-CG 4.16Å; F93-Y164 HydrophobicContact CD2-CD1 4.1Å; F93-Y164 AromaticContact CD2-CD2 3.73Å; F93-Y164 HydrophobicContact CD2-CD2 3.73Å; F93-Y164 HydrophobicContact CD2-CE1 4.22Å; F93-Y164 AromaticContact CD2-CE2 3.87Å; F93-Y164 HydrophobicContact CD2-CE2 3.87Å; F93-Y164 AromaticContact CD2-CG 3.84Å; F93-Y164 HydrophobicContact CD2-CG 3.84Å; F93-Y164 HydrophobicContact CE1-CG 4.37Å; F93-Y164 AromaticContact CE2-CD2 3.82Å; F93-Y164 HydrophobicContact CE2-CD2 3.82Å; F93-Y164 HydrophobicContact CE2-CE2 4.28Å; F93-Y164 HydrophobicContact CE2-CG 4.09Å; F93-Y164 AromaticContact CG-CD1 3.79Å; F93-Y164 HydrophobicContact CG-CD1 3.79Å; F93-Y164 HydrophobicContact CG-CD2 4.25Å; F93-Y164 HydrophobicContact CG-CE1 4.07Å; F93-Y164 AromaticContact CG-CG 3.88Å; F93-Y164 HydrophobicContact CG-CG 3.88Å; F93-Y164 HydrophobicContact CZ-CD2 4.41Å; F93-Y164 HydrophobicContact CZ-CG 4.35Å; V99-Y164 CarbonylContact O-C 3.6Å; V99-Y164 WeakPolarHBondContact O-CA 3.5Å; E100-Y164 HydrophobicContact CB-CD1 4.12Å; E100-Y164 HydrophobicContact CB-CE1 3.88Å; E100-Y164 HydrophobicContact CG-CE1 4.04Å; R162-Y164 HydrophobicContact CG-CE2 4.49Å; R162-Y164 PolarHBondContact NE-OH 2.95Å; R162-Y164 PolarHBondContact NH1-OH 3.23Å; R162-Y164 PolarHBondContact NH2-OH 3Å
165A97.3Very high97.3Very high0 Ų046.5 Ų46.50%024%0.235CC..EExtended strand (participates in β ladder)trans-91.3136.2172.100000110.8I45 A46 I47 L73 S98 V99 F101I45-A165 HydrophobicContact CG2-CB 3.62Å; A46-A165 CarbonylContact O-C 3.57Å; A46-A165 WeakPolarHBondContact O-CA 3.36Å; I47-A165 HydrophobicContact CG1-CB 4.28Å; L73-A165 HydrophobicContact CD1-CB 3.64Å; S98-A165 CarbonylContact C-O 3.57Å; S98-A165 WeakPolarHBondContact CA-O 3.43Å; S98-A165 WeakPolarHBondContact CB-O 3.3Å; V99-A165 HydrophobicContact CB-CB 4.43Å; V99-A165 PolarHBondContact N-O 3.27Å; V99-A165 PolarHBondContact O-N 3.49Å; F101-A165 HydrophobicContact CD2-CB 4.19Å; F101-A165 HydrophobicContact CE2-CB 3.72Å
166K96.7Very high97.3Very high33 Ų3342.1 Ų42.114%0.14322%0.215CC..EExtended strand (participates in β ladder)trans-122.3152.9-177.7-58.4-177-168.7-123.20110.3A46 D48 S85 F93 W176A46-K166 PolarHBondContact N-O 3.43Å; A46-K166 PolarHBondContact O-N 3.01Å; D48-K166 HydrophobicContact CB-CB 4.31Å; D48-K166 HydrophobicContact CB-CD 3.97Å; D48-K166 HydrophobicContact CB-CG 4.09Å; D48-K166 WeakPolarHBondContact OD2-CD 3.28Å; D48-K166 WeakPolarHBondContact OD2-CE 3.4Å; S85-K166 PolarHBondContact OG-NZ 3.11Å; F93-K166 HydrophobicContact CE1-CD 4.39Å; F93-K166 VanDerWaalsContact CE1-CE 3.43Å; F93-K166 HydrophobicContact CE1-CG 4.44Å; F93-K166 VanDerWaalsContact CE1-NZ 3.28Å; K166-W176 PolarHBondContact O-NE1 3.2Å; K166-W176 VanDerWaalsContact O-NE1 3.11Å
167K96.8Very high97.4Very high25 Ų2541.5 Ų41.511%0.10920%0.199CC..EExtended strand (participates in β ladder)trans-68.7127.6166.1-176.4176.8-179164.70109.8P43 I44 V79 L82 Y84P43-K167 HydrophobicContact CB-CG 4.31Å; I44-K167 WeakPolarHBondContact O-CA 3.31Å; V79-K167 HydrophobicContact CG2-CD 4.27Å; V79-K167 HydrophobicContact CG2-CG 4.05Å; V79-K167 WeakPolarHBondContact O-CD 3.42Å; V79-K167 VanDerWaalsContact O-CE 3.22Å; V79-K167 WeakPolarHBondContact O-CE 3.38Å; V79-K167 PolarHBondContact O-NZ 3.48Å; L82-K167 VanDerWaalsContact O-CD 3.24Å; L82-K167 WeakPolarHBondContact O-CD 3.44Å; L82-K167 PolarHBondContact O-NZ 2.93Å; Y84-K167 HydrophobicContact CD1-CB 4.27Å; Y84-K167 HydrophobicContact CD1-CD 4.3Å; Y84-K167 HydrophobicContact CD1-CG 4.01Å; Y84-K167 WeakPolarHBondContact CD1-O 3.43Å; Y84-K167 HydrophobicContact CE1-CB 4.43Å; Y84-K167 HydrophobicContact CE1-CD 4.14Å; Y84-K167 HydrophobicContact CE1-CG 3.74Å; Y84-K167 HydrophobicContact CE2-CD 4.38Å
168G96.9Very high97.3Very high0 Ų039.8 Ų39.80%019%0.191CC..EExtended strand (participates in β ladder)trans-150.3-177.1177.200000111P43 I44P43-G168 CarbonylContact C-O 3.6Å; P43-G168 VanDerWaalsContact CA-O 3.25Å; P43-G168 WeakPolarHBondContact CA-O 3.47Å; I44-G168 PolarHBondContact N-O 3.33Å; I44-G168 PolarHBondContact O-N 3.44Å
169F96.4Very high97.3Very high39 Ų3938.5 Ų38.517%0.17119%0.185CC..EExtended strand (participates in β ladder)trans-143.6155.5176.952.5-87.9000110.7A40 Y84 K171 E172 W176A40-F169 WeakPolarHBondContact O-CD2 3.34Å; Y84-F169 HydrophobicContact CE1-CD1 4.08Å; Y84-F169 HydrophobicContact CE1-CE1 4.31Å; F169-K171 HydrophobicContact CD2-CB 3.69Å; F169-K171 HydrophobicContact CE2-CB 3.72Å; F169-K171 HydrophobicContact CE2-CD 4.35Å; F169-K171 HydrophobicContact CE2-CG 4.48Å; F169-K171 PolarHBondContact O-N 3.29Å; F169-E172 HydrophobicContact CD2-CG 4.46Å; F169-E172 HydrophobicContact CE1-CG 4.25Å; F169-E172 WeakPolarHBondContact CE1-OE1 3.26Å; F169-E172 HydrophobicContact CE2-CG 3.99Å; F169-E172 HydrophobicContact CZ-CG 3.86Å; F169-E172 WeakPolarHBondContact CZ-OE1 3.41Å; F169-E172 PolarHBondContact O-N 3.44Å; F169-W176 VanDerWaalsContact C-CB 3.46Å
170G96.1Very high97.2Very high17 Ų1741.6 Ų41.618%0.17521%0.211CC..THydrogen-bonded Turntrans-56.9-21.6-168.200000116.5A40 E172 H173 W176A40-G170 PolarHBondContact O-N 2.95Å; G170-E172 VanDerWaalsContact C-N 3.33Å; G170-E172 PolarHBondContact O-N 2.99Å; G170-H173 CarbonylContact O-C 3.54Å; G170-W176 WeakPolarHBondContact CA-O 3.46Å; G170-W176 PolarHBondContact N-O 2.97Å
171K96.8Very high97.1Very high130 Ų13037.9 Ų37.957%0.56521%0.205SC*.THydrogen-bonded Turntrans-68.8-27.4175-172.1-174.4-61.5175.50113.4A40 E41 F169A40-K171 HydrophobicContact CB-CB 4.46Å; A40-K171 PolarHBondContact O-N 3.48Å; E41-K171 WeakPolarHBondContact OE1-CE 3.28Å; E41-K171 IonicContact OE1-NZ 3.99Å; E41-K171 PolarHBondContact OE1-NZ 3.5Å; F169-K171 HydrophobicContact CD2-CB 3.69Å; F169-K171 HydrophobicContact CE2-CB 3.72Å; F169-K171 HydrophobicContact CE2-CD 4.35Å; F169-K171 HydrophobicContact CE2-CG 4.48Å; F169-K171 PolarHBondContact O-N 3.29Å
172E97Very high97Very high85 Ų8538.6 Ų38.640%0.39721%0.209SC..THydrogen-bonded Turntrans-76.8-46.3175.6-67.9178.4175.500110.9R86 F169 G170 W176R86-E172 IonicContact CZ-OE1 3.45Å; R86-E172 IonicContact NH1-OE1 3.95Å; R86-E172 PolarHBondContact NH1-OE1 3.4Å; R86-E172 IonicContact NH2-OE1 3.95Å; F169-E172 HydrophobicContact CD2-CG 4.46Å; F169-E172 HydrophobicContact CE1-CG 4.25Å; F169-E172 WeakPolarHBondContact CE1-OE1 3.26Å; F169-E172 HydrophobicContact CE2-CG 3.99Å; F169-E172 HydrophobicContact CZ-CG 3.86Å; F169-E172 WeakPolarHBondContact CZ-OE1 3.41Å; F169-E172 PolarHBondContact O-N 3.44Å; G170-E172 VanDerWaalsContact C-N 3.33Å; G170-E172 PolarHBondContact O-N 2.99Å; E172-W176 HydrophobicContact CB-CE3 4.15Å; E172-W176 HydrophobicContact CB-CZ3 4.04Å
173H98.2Very high97.1Very high82 Ų8236.7 Ų36.738%0.3821%0.213SC..  trans-160.1146.3176.1-169.1-89.2000110.3G170 K175 W176G170-H173 CarbonylContact O-C 3.54Å; H173-K175 HydrophobicContact CB-CG 4.16Å; H173-K175 WeakPolarHBondContact ND1-CB 3.38Å; H173-K175 VanDerWaalsContact ND1-CG 3.34Å; H173-K175 WeakPolarHBondContact ND1-CG 3.48Å; H173-K175 PolarHBondContact ND1-N 3.39Å; H173-K175 PolarHBondContact O-N 2.84Å; H173-W176 HydrophobicContact CB-CE3 3.69Å; H173-W176 HydrophobicContact CB-CZ3 3.7Å; H173-W176 PolarHBondContact O-N 3.08Å
174A97.5Very high97.1Very high75 Ų7539.2 Ų39.262%0.6222%0.224SC*.G310 helixtrans-60.7-19.2-176.600000114.6W176 N177A174-W176 PolarHBondContact O-N 3.13Å; A174-N177 VanDerWaalsContact O-CB 3.24Å; A174-N177 WeakPolarHBondContact O-CB 3.46Å; A174-N177 PolarHBondContact O-N 2.98Å
175K97.5Very high97.1Very high38 Ų3840.8 Ų40.817%0.16523%0.232CC..G310 helixtrans-62.6-22.5174.273.4-174.8175.6178.80113.8A46 I47 D48 G69 L70 H173A46-K175 HydrophobicContact CB-CD 4.41Å; A46-K175 HydrophobicContact CB-CG 4.16Å; I47-K175 PolarHBondContact O-NZ 3.32Å; D48-K175 IonicContact OD1-NZ 2.99Å; D48-K175 PolarHBondContact OD1-NZ 3.27Å; G69-K175 VanDerWaalsContact O-CB 3.31Å; G69-K175 WeakPolarHBondContact O-CB 3.3Å; L70-K175 HydrophobicContact CD2-CB 4.11Å; H173-K175 HydrophobicContact CB-CG 4.16Å; H173-K175 WeakPolarHBondContact ND1-CB 3.38Å; H173-K175 VanDerWaalsContact ND1-CG 3.34Å; H173-K175 WeakPolarHBondContact ND1-CG 3.48Å; H173-K175 PolarHBondContact ND1-N 3.39Å; H173-K175 PolarHBondContact O-N 2.84Å
176W97.7Very high97.1Very high12 Ų1243.7 Ų43.75%0.04524%0.244CC..G310 helixtrans-98.322.1174.5-68.7-71.7000112.3I44 A46 D48 K166 F169 G170 E172 H173 A174 P178I44-W176 VanDerWaalsContact CG2-C 3.49Å; I44-W176 HydrophobicContact CG2-CB 3.57Å; I44-W176 HydrophobicContact CG2-CG 3.99Å; I44-W176 VanDerWaalsContact CG2-O 3.29Å; I44-W176 WeakPolarHBondContact CG2-O 3.46Å; A46-W176 HydrophobicContact CB-CG 4.31Å; D48-W176 HydrophobicContact CB-CH2 4.15Å; D48-W176 HydrophobicContact CB-CZ2 3.83Å; D48-W176 WeakPolarHBondContact OD1-CH2 3.42Å; K166-W176 PolarHBondContact O-NE1 3.2Å; K166-W176 VanDerWaalsContact O-NE1 3.11Å; F169-W176 VanDerWaalsContact C-CB 3.46Å; G170-W176 WeakPolarHBondContact CA-O 3.46Å; G170-W176 PolarHBondContact N-O 2.97Å; E172-W176 HydrophobicContact CB-CE3 4.15Å; E172-W176 HydrophobicContact CB-CZ3 4.04Å; H173-W176 HydrophobicContact CB-CE3 3.69Å; H173-W176 HydrophobicContact CB-CZ3 3.7Å; H173-W176 PolarHBondContact O-N 3.08Å; A174-W176 PolarHBondContact O-N 3.13Å; W176-P178 WeakPolarHBondContact O-CD 3.4Å
177N97.6Very high97.1Very high44 Ų4443.7 Ų43.724%0.23525%0.246CC..  trans-85.3117.7168.7-177.35.7000109.5I39 A174 T179I39-N177 PolarHBondContact O-OD1 2.65Å; A174-N177 VanDerWaalsContact O-CB 3.24Å; A174-N177 WeakPolarHBondContact O-CB 3.46Å; A174-N177 PolarHBondContact O-N 2.98Å; N177-T179 VanDerWaalsContact C-N 3.28Å; N177-T179 PolarHBondContact ND2-O 3.47Å; N177-T179 VanDerWaalsContact ND2-O 3.1Å; N177-T179 PolarHBondContact O-N 3.11Å; N177-T179 PolarHBondContact OD1-N 3.27Å; N177-T179 PolarHBondContact OD1-O 3.13Å; N177-T179 PolarHBondContact OD1-OG1 3.26Å
178P96.5Very high97.1Very high0 Ų044 Ų440%025%0.25CS..  trans-80.2-917931.7-32.9000113.6V42 I44 W176 C236 L239 I244V42-P178 HydrophobicContact CB-CG 3.7Å; V42-P178 HydrophobicContact CG1-CB 4.42Å; V42-P178 HydrophobicContact CG1-CG 3.73Å; I44-P178 HydrophobicContact CD1-CB 3.67Å; W176-P178 WeakPolarHBondContact O-CD 3.4Å; P178-C236 PolarHBondContact O-N 3.33Å; P178-C236 PolarHBondContact O-SG 3.39Å; P178-L239 HydrophobicContact CB-CD1 4.05Å; P178-I244 HydrophobicContact CB-CD1 4.02Å; P178-I244 HydrophobicContact CB-CG1 4.2Å; P178-I244 HydrophobicContact CG-CG2 4.4Å; P178-I244 WeakPolarHBondContact O-CD1 3.44Å
179T97Very high97.1Very high7 Ų745.2 Ų45.24%0.04326%0.257CS..EExtended strand (participates in β ladder)trans-107.3143.1-176.561.40000111.6F38 N177 V182 V233 E234 I244F38-T179 HydrophobicContact CB-CG2 4.31Å; N177-T179 VanDerWaalsContact C-N 3.28Å; N177-T179 PolarHBondContact ND2-O 3.47Å; N177-T179 VanDerWaalsContact ND2-O 3.1Å; N177-T179 PolarHBondContact O-N 3.11Å; N177-T179 PolarHBondContact OD1-N 3.27Å; N177-T179 PolarHBondContact OD1-O 3.13Å; N177-T179 PolarHBondContact OD1-OG1 3.26Å; T179-V182 HydrophobicContact CG2-CG2 3.91Å; T179-V233 HydrophobicContact CG2-CG1 3.96Å; T179-E234 CarbonylContact C-O 3.54Å; T179-E234 VanDerWaalsContact CA-O 3.28Å; T179-E234 WeakPolarHBondContact CA-O 3.46Å; T179-I244 HydrophobicContact CG2-CD1 4.22Å; T179-I244 HydrophobicContact CG2-CG2 3.91Å
180A95.6Very high97.1Very high66 Ų6643.7 Ų43.755%0.54525%0.25SS..EExtended strand (participates in β ladder)trans-88.6-5916900000110.1E234A180-E234 HydrophobicContact CB-CB 4.47Å; A180-E234 HydrophobicContact CB-CG 4.12Å; A180-E234 PolarHBondContact N-O 3.2Å
181G95.8Very high97.2Very high26 Ų2644 Ų4427%0.26825%0.251SS..EExtended strand (participates in β ladder)trans-127139.9176.400000111.7E234G181-E234 WeakPolarHBondContact O-CB 3.31Å; G181-E234 PolarHBondContact O-N 2.96Å
182V97.6Very high97.1Very high15 Ų1538.8 Ų38.89%0.09123%0.229CC..EExtended strand (participates in β ladder)trans-126.487.6169.1-174.90000107.9R35 F38 I39 T179 N232 V233R35-V182 HydrophobicContact CG-CB 4.44Å; R35-V182 HydrophobicContact CG-CG1 3.59Å; R35-V182 PolarHBondContact NE-O 3.29Å; F38-V182 HydrophobicContact CB-CG2 4.31Å; F38-V182 HydrophobicContact CD2-CG1 3.99Å; I39-V182 HydrophobicContact CD1-CG2 4.45Å; I39-V182 HydrophobicContact CG1-CG2 3.93Å; T179-V182 HydrophobicContact CG2-CG2 3.91Å; V182-N232 CarbonylContact C-O 3.55Å; V182-N232 WeakPolarHBondContact CA-O 3.41Å; V182-V233 HydrophobicContact CG1-CG2 4.28Å; V182-V233 HydrophobicContact CG2-CG1 4.5Å
183A97.9Very high97.1Very high52 Ų5240.7 Ų40.743%0.4323%0.233SC..EExtended strand (participates in β ladder)trans-67.2136.9173.800000108.8Y231 N232A183-Y231 WeakPolarHBondContact O-CA 3.42Å; A183-N232 HydrophobicContact CB-CB 3.84Å; A183-N232 PolarHBondContact N-O 3.33Å; A183-N232 PolarHBondContact O-N 3.39Å; A183-N232 VanDerWaalsContact O-N 3.1Å
184F97.9Very high97Very high53 Ų5342 Ų4223%0.23224%0.239CC..EExtended strand (participates in β ladder)trans-146.9122-175.8174.9-98.9000108.7L28 A31 R35 Y186 F229 Y230 Y231L28-F184 HydrophobicContact CD1-CE1 4.13Å; L28-F184 HydrophobicContact CD1-CZ 3.87Å; A31-F184 HydrophobicContact CB-CE2 4.01Å; A31-F184 HydrophobicContact CB-CZ 4.22Å; R35-F184 HydrophobicContact CG-CB 4.36Å; F184-Y186 AromaticContact CE1-CD1 3.9Å; F184-Y186 HydrophobicContact CE1-CD1 3.9Å; F184-Y186 HydrophobicContact CE1-CE1 4.35Å; F184-Y186 HydrophobicContact CZ-CD1 4.23Å; F184-F229 HydrophobicContact CE2-CB 4.2Å; F184-F229 AromaticContact CE2-CD1 3.88Å; F184-F229 HydrophobicContact CE2-CD1 3.88Å; F184-F229 HydrophobicContact CE2-CG 4.39Å; F184-F229 AromaticContact CZ-CD1 3.69Å; F184-F229 HydrophobicContact CZ-CD1 3.69Å; F184-F229 HydrophobicContact CZ-CE1 4.29Å; F184-Y230 WeakPolarHBondContact CA-O 3.21Å; F184-Y231 HydrophobicContact CD2-CD1 4.27Å; F184-Y231 HydrophobicContact CD2-CD2 4.3Å; F184-Y231 AromaticContact CD2-CE1 3.74Å; F184-Y231 HydrophobicContact CD2-CE1 3.74Å; F184-Y231 AromaticContact CD2-CE2 3.76Å; F184-Y231 HydrophobicContact CD2-CE2 3.76Å; F184-Y231 AromaticContact CD2-CZ 3.45Å; F184-Y231 VanDerWaalsContact CD2-CZ 3.45Å; F184-Y231 HydrophobicContact CE2-CE1 4.22Å; F184-Y231 AromaticContact CE2-CE2 3.73Å; F184-Y231 HydrophobicContact CE2-CE2 3.73Å; F184-Y231 AromaticContact CE2-CZ 3.49Å; F184-Y231 VanDerWaalsContact CE2-CZ 3.49Å; F184-Y231 VanDerWaalsContact CE2-OH 3.28Å; F184-Y231 WeakPolarHBondContact CE2-OH 3.41Å
185E98Very high97Very high57 Ų5741.4 Ų41.427%0.26623%0.227SC..EExtended strand (participates in β ladder)trans-141.4148.9-179-172.7173.8170.900110.4P188 S206 Y208 F229 Y230E185-P188 WeakPolarHBondContact OE1-CA 3.49Å; E185-P188 WeakPolarHBondContact OE1-CB 3.46Å; E185-S206 WeakPolarHBondContact OE1-CB 3.38Å; E185-S206 PolarHBondContact OE1-OG 2.92Å; E185-S206 PolarHBondContact OE2-OG 2.91Å; E185-S206 VanDerWaalsContact OE2-OG 3.05Å; E185-Y208 WeakPolarHBondContact OE2-CD2 3.47Å; E185-F229 WeakPolarHBondContact O-CA 3.29Å; E185-Y230 PolarHBondContact N-O 3.49Å; E185-Y230 PolarHBondContact O-N 3.44Å
186Y97.5Very high97Very high61 Ų6145.3 Ų45.324%0.23925%0.254CS..EExtended strand (participates in β ladder)trans-148.5154.4168.570.1-86.9000108L28 F184 H194 P226 F229L28-Y186 HydrophobicContact CD1-CD1 3.91Å; L28-Y186 HydrophobicContact CD1-CE1 3.78Å; L28-Y186 HydrophobicContact CD2-CE1 4.36Å; F184-Y186 AromaticContact CE1-CD1 3.9Å; F184-Y186 HydrophobicContact CE1-CD1 3.9Å; F184-Y186 HydrophobicContact CE1-CE1 4.35Å; F184-Y186 HydrophobicContact CZ-CD1 4.23Å; Y186-H194 AromaticContact CE2-CE1 3.99Å; Y186-H194 AromaticContact CE2-ND1 3.33Å; Y186-H194 VanDerWaalsContact CE2-ND1 3.33Å; Y186-H194 WeakPolarHBondContact CE2-ND1 3.46Å; Y186-H194 AromaticContact CZ-ND1 3.57Å; Y186-H194 PolarHBondContact OH-ND1 2.82Å; Y186-P226 HydrophobicContact CD2-CB 3.79Å; Y186-P226 HydrophobicContact CD2-CG 4.16Å; Y186-P226 HydrophobicContact CE2-CB 4.17Å; Y186-P226 HydrophobicContact CE2-CG 4.04Å; Y186-P226 HydrophobicContact CG-CB 4.42Å; Y186-F229 HydrophobicContact CD1-CE1 4.5Å; Y186-F229 HydrophobicContact CG-CD1 4.3Å; Y186-F229 HydrophobicContact CG-CE1 4.19Å
187D96.9Very high96.9Very high34 Ų3447.8 Ų47.818%0.18226%0.264CS..  trans50.261.7-177.2-171.233.5000113.7D189 N190 A191 L192D187-D189 PolarHBondContact O-N 3.31Å; D187-D189 VanDerWaalsContact O-N 3.15Å; D187-N190 PolarHBondContact O-N 3.02Å; D187-N190 VanDerWaalsContact O-N 3.08Å; D187-N190 PolarHBondContact OD1-N 3.03Å; D187-N190 VanDerWaalsContact OD2-C 3.3Å; D187-N190 VanDerWaalsContact OD2-CA 3.31Å; D187-N190 WeakPolarHBondContact OD2-CA 3.41Å; D187-A191 VanDerWaalsContact CG-N 3.34Å; D187-A191 WeakPolarHBondContact OD1-CB 3.49Å; D187-A191 PolarHBondContact OD1-N 3.11Å; D187-A191 PolarHBondContact OD2-N 3.12Å; D187-A191 VanDerWaalsContact OD2-N 3.12Å; D187-L192 HydrophobicContact CB-CD1 4.18Å; D187-L192 HydrophobicContact CB-CG 4.38Å; D187-L192 VanDerWaalsContact OD2-CB 3.27Å; D187-L192 WeakPolarHBondContact OD2-CB 3.46Å; D187-L192 WeakPolarHBondContact OD2-CG 3.32Å; D187-L192 PolarHBondContact OD2-N 2.55Å
188P97.3Very high96.8Very high31 Ų3151.4 Ų51.420%0.20129%0.29CS..THydrogen-bonded Turntrans-56.5-33.8-175.2-22.733.7000113.3E185 Y230E185-P188 WeakPolarHBondContact OE1-CA 3.49Å; E185-P188 WeakPolarHBondContact OE1-CB 3.46Å; P188-Y230 HydrophobicContact CG-CD2 4.22Å; P188-Y230 HydrophobicContact CG-CE2 3.69Å
189D97Very high96.8Very high26 Ų2656.5 Ų56.514%0.13931%0.312CS..THydrogen-bonded Turntrans-95.58.8-175.1-63.5-40000113.1D187 A191 S209 E210 L211 Q217 A218D187-D189 PolarHBondContact O-N 3.31Å; D187-D189 VanDerWaalsContact O-N 3.15Å; D189-A191 VanDerWaalsContact C-N 3.32Å; D189-A191 PolarHBondContact O-N 3.47Å; D189-S209 WeakPolarHBondContact OD1-CA 3.31Å; D189-S209 WeakPolarHBondContact OD1-CB 3.44Å; D189-S209 PolarHBondContact OD1-OG 3.37Å; D189-S209 VanDerWaalsContact OD1-OG 3.07Å; D189-E210 PolarHBondContact OD2-N 3.15Å; D189-E210 VanDerWaalsContact OD2-N 3.09Å; D189-L211 HydrophobicContact CB-CD1 3.76Å; D189-L211 HydrophobicContact CB-CG 4Å; D189-Q217 CarbonylContact O-C 3.56Å; D189-Q217 WeakPolarHBondContact O-CA 3Å; D189-Q217 WeakPolarHBondContact O-CB 3.28Å; D189-A218 HydrophobicContact CB-CB 3.77Å; D189-A218 WeakPolarHBondContact O-CB 3.2Å; D189-A218 PolarHBondContact O-N 2.93Å
190N96.7Very high96.7Very high7 Ų756.9 Ų56.94%0.03732%0.315CS..  trans56.635.9175.4-163.439000115D187 L192 R193 T195 Y197 Q217D187-N190 PolarHBondContact O-N 3.02Å; D187-N190 VanDerWaalsContact O-N 3.08Å; D187-N190 PolarHBondContact OD1-N 3.03Å; D187-N190 VanDerWaalsContact OD2-C 3.3Å; D187-N190 VanDerWaalsContact OD2-CA 3.31Å; D187-N190 WeakPolarHBondContact OD2-CA 3.41Å; N190-L192 PolarHBondContact O-N 2.94Å; N190-R193 PolarHBondContact O-N 3.09Å; N190-R193 VanDerWaalsContact OD1-CA 3.32Å; N190-R193 WeakPolarHBondContact OD1-CA 3.35Å; N190-T195 PolarHBondContact ND2-O 3.32Å; N190-T195 WeakPolarHBondContact OD1-CG2 3.45Å; N190-T195 PolarHBondContact OD1-O 3.04Å; N190-T195 VanDerWaalsContact OD1-O 3.1Å; N190-Y197 HydrophobicContact CB-CE2 4.13Å; N190-Q217 HydrophobicContact CB-CB 4.46Å; N190-Q217 PolarHBondContact ND2-OE1 2.95Å
191A96.4Very high96.6Very high22 Ų2260.5 Ų60.518%0.18232%0.32CS..THydrogen-bonded Turntrans-63.3-29.5177.800000112.5D187 D189 A218 Y220 D221D187-A191 VanDerWaalsContact CG-N 3.34Å; D187-A191 WeakPolarHBondContact OD1-CB 3.49Å; D187-A191 PolarHBondContact OD1-N 3.11Å; D187-A191 PolarHBondContact OD2-N 3.12Å; D187-A191 VanDerWaalsContact OD2-N 3.12Å; D189-A191 VanDerWaalsContact C-N 3.32Å; D189-A191 PolarHBondContact O-N 3.47Å; A191-A218 HydrophobicContact CB-CB 3.81Å; A191-Y220 WeakPolarHBondContact O-CA 3.28Å; A191-Y220 VanDerWaalsContact O-CD2 3.32Å; A191-Y220 WeakPolarHBondContact O-CD2 3.32Å; A191-D221 PolarHBondContact O-N 3.02Å; A191-D221 VanDerWaalsContact O-N 3.1Å
192L96.6Very high96.6Very high21 Ų2165.7 Ų65.711%0.1134%0.337CS..THydrogen-bonded Turntrans-87.1-12.9-179.7-55.5177.7000112.9D187 N190 H194 G224 P226D187-L192 HydrophobicContact CB-CD1 4.18Å; D187-L192 HydrophobicContact CB-CG 4.38Å; D187-L192 VanDerWaalsContact OD2-CB 3.27Å; D187-L192 WeakPolarHBondContact OD2-CB 3.46Å; D187-L192 WeakPolarHBondContact OD2-CG 3.32Å; D187-L192 PolarHBondContact OD2-N 2.55Å; N190-L192 PolarHBondContact O-N 2.94Å; L192-H194 PolarHBondContact O-N 2.87Å; L192-G224 VanDerWaalsContact CD2-C 3.41Å; L192-P226 HydrophobicContact CD1-CB 4.27Å; L192-P226 HydrophobicContact CD1-CG 3.69Å
193R96.3Very high96.5Very high125 Ų12571.6 Ų71.647%0.47236%0.358SS..  trans53.436.7-175.5-62.7179176.21591.2113.6N190 T195 Y220N190-R193 PolarHBondContact O-N 3.09Å; N190-R193 VanDerWaalsContact OD1-CA 3.32Å; N190-R193 WeakPolarHBondContact OD1-CA 3.35Å; R193-T195 CarbonylContact C-O 3.54Å; R193-T195 PolarHBondContact O-N 2.88Å; R193-Y220 HydrophobicContact CB-CD2 4.04Å; R193-Y220 HydrophobicContact CB-CE2 4.13Å; R193-Y220 HydrophobicContact CG-CD2 3.58Å; R193-Y220 HydrophobicContact CG-CE2 4.17Å; R193-Y220 HydrophobicContact CG-CG 4.34Å; R193-Y220 VanDerWaalsContact NH2-CB 3.34Å
194H96.4Very high96.4Very high111 Ų11174.6 Ų74.651%0.51437%0.373SS..SBendtrans-65.3-23.6171.2-78.8-172.6000112.2Y186 L192Y186-H194 AromaticContact CE2-CE1 3.99Å; Y186-H194 AromaticContact CE2-ND1 3.33Å; Y186-H194 VanDerWaalsContact CE2-ND1 3.33Å; Y186-H194 WeakPolarHBondContact CE2-ND1 3.46Å; Y186-H194 AromaticContact CZ-ND1 3.57Å; Y186-H194 PolarHBondContact OH-ND1 2.82Å; L192-H194 PolarHBondContact O-N 2.87Å
195T96.9Very high96.3Very high61 Ų6176.1 Ų76.137%0.37438%0.38SS..SBendtrans-118.1148.6164.5-175.60000109.6N190 R193 Y197N190-T195 PolarHBondContact ND2-O 3.32Å; N190-T195 WeakPolarHBondContact OD1-CG2 3.45Å; N190-T195 PolarHBondContact OD1-O 3.04Å; N190-T195 VanDerWaalsContact OD1-O 3.1Å; R193-T195 CarbonylContact C-O 3.54Å; R193-T195 PolarHBondContact O-N 2.88Å; T195-Y197 HydrophobicContact CG2-CD2 4.46Å; T195-Y197 HydrophobicContact CG2-CE1 3.96Å; T195-Y197 HydrophobicContact CG2-CE2 3.71Å; T195-Y197 VanDerWaalsContact CG2-CZ 3.42Å; T195-Y197 WeakPolarHBondContact CG2-OH 3.4Å
196V96.7Very high96.2Very high120 Ų12074.9 Ų74.973%0.72738%0.377SS*.  trans-120.2105.2-179.6-1780000108.7
197Y95.6Very high96.1Very high65 Ų6578 Ų7826%0.25539%0.394SS..  trans-80.4128.6177.3-57.5-60.7000110.4N190 T195 K199 W203N190-Y197 HydrophobicContact CB-CE2 4.13Å; T195-Y197 HydrophobicContact CG2-CD2 4.46Å; T195-Y197 HydrophobicContact CG2-CE1 3.96Å; T195-Y197 HydrophobicContact CG2-CE2 3.71Å; T195-Y197 VanDerWaalsContact CG2-CZ 3.42Å; T195-Y197 WeakPolarHBondContact CG2-OH 3.4Å; Y197-K199 VanDerWaalsContact C-N 3.27Å; Y197-K199 PolarHBondContact O-N 3.04Å; Y197-W203 AromaticContact CD1-CD1 3.68Å; Y197-W203 AromaticContact CD1-CD2 3.7Å; Y197-W203 HydrophobicContact CD1-CD2 3.7Å; Y197-W203 AromaticContact CD1-CE2 3.35Å; Y197-W203 HydrophobicContact CD1-CE3 4.44Å; Y197-W203 AromaticContact CD1-CG 3.91Å; Y197-W203 HydrophobicContact CD1-CG 3.91Å; Y197-W203 AromaticContact CD1-CZ2 3.84Å; Y197-W203 HydrophobicContact CD1-CZ2 3.84Å; Y197-W203 AromaticContact CD1-NE1 3.35Å; Y197-W203 VanDerWaalsContact CD1-NE1 3.35Å; Y197-W203 AromaticContact CE1-CD2 3.62Å; Y197-W203 HydrophobicContact CE1-CD2 3.62Å; Y197-W203 AromaticContact CE1-CE2 3.65Å; Y197-W203 AromaticContact CE1-CE3 3.92Å; Y197-W203 HydrophobicContact CE1-CE3 3.92Å; Y197-W203 HydrophobicContact CE1-CG 4.07Å; Y197-W203 HydrophobicContact CE1-CH2 4.25Å; Y197-W203 AromaticContact CE1-CZ2 3.98Å; Y197-W203 HydrophobicContact CE1-CZ2 3.98Å; Y197-W203 HydrophobicContact CE1-CZ3 4.22Å; Y197-W203 AromaticContact CG-CD1 3.87Å; Y197-W203 HydrophobicContact CG-CG 4.29Å; Y197-W203 AromaticContact CG-NE1 3.9Å
198P96.1Very high96.1Very high120 Ų12078 Ų7878%0.77939%0.392SS*.SBendtrans-68.2-30.9176.526.6-33.3000112.2
199K96.1Very high96Very high106 Ų10677.9 Ų77.946%0.46139%0.392SS..SBendtrans-140.487.5176.1-67.4177.9175.8176.20108.8Y197 E201 E202Y197-K199 VanDerWaalsContact C-N 3.27Å; Y197-K199 PolarHBondContact O-N 3.04Å; K199-E201 PolarHBondContact O-N 3.39Å; K199-E201 VanDerWaalsContact O-N 3.14Å; K199-E202 HydrophobicContact CB-CB 4.45Å; K199-E202 HydrophobicContact CB-CG 4.05Å; K199-E202 HydrophobicContact CD-CG 4.14Å; K199-E202 WeakPolarHBondContact CD-OE1 3.18Å; K199-E202 IonicContact NZ-OE1 3.07Å; K199-E202 PolarHBondContact NZ-OE1 3.14Å; K199-E202 PolarHBondContact O-N 3.46Å
200P94.5Very high95.8Very high16 Ų1683.2 Ų83.210%0.10442%0.416CS..G310 helixtrans-55.2-28.1-177.7-26.135000113.7E202 W203 S216 Q217P200-E202 VanDerWaalsContact C-N 3.25Å; P200-E202 PolarHBondContact O-N 3.17Å; P200-W203 PolarHBondContact O-N 3.25Å; P200-S216 WeakPolarHBondContact CB-OG 3.23Å; P200-Q217 HydrophobicContact CB-CG 4.28Å
201E93.9Very high95.7Very high141 Ų14184.5 Ų84.566%0.65942%0.423SS*.G310 helixtrans-71.4-18.2-177.1-48.973.3-15500113.3K199 W203K199-E201 PolarHBondContact O-N 3.39Å; K199-E201 VanDerWaalsContact O-N 3.14Å; E201-W203 VanDerWaalsContact C-N 3.33Å
202E95.5Very high95.5Very high135 Ų13589.3 Ų89.363%0.63145%0.445SS*.G310 helixtrans-83.9-9.1177.5-67.6-178.117600112.6K199 P200K199-E202 HydrophobicContact CB-CB 4.45Å; K199-E202 HydrophobicContact CB-CG 4.05Å; K199-E202 HydrophobicContact CD-CG 4.14Å; K199-E202 WeakPolarHBondContact CD-OE1 3.18Å; K199-E202 IonicContact NZ-OE1 3.07Å; K199-E202 PolarHBondContact NZ-OE1 3.14Å; K199-E202 PolarHBondContact O-N 3.46Å; P200-E202 VanDerWaalsContact C-N 3.25Å; P200-E202 PolarHBondContact O-N 3.17Å
203W95.8Very high95.1Very high140 Ų14097.2 Ų97.253%0.5348%0.482SS..SBendtrans-94.9134.7-177-69.681.4000111.5Y197 P200 E201Y197-W203 AromaticContact CD1-CD1 3.68Å; Y197-W203 AromaticContact CD1-CD2 3.7Å; Y197-W203 HydrophobicContact CD1-CD2 3.7Å; Y197-W203 AromaticContact CD1-CE2 3.35Å; Y197-W203 HydrophobicContact CD1-CE3 4.44Å; Y197-W203 AromaticContact CD1-CG 3.91Å; Y197-W203 HydrophobicContact CD1-CG 3.91Å; Y197-W203 AromaticContact CD1-CZ2 3.84Å; Y197-W203 HydrophobicContact CD1-CZ2 3.84Å; Y197-W203 AromaticContact CD1-NE1 3.35Å; Y197-W203 VanDerWaalsContact CD1-NE1 3.35Å; Y197-W203 AromaticContact CE1-CD2 3.62Å; Y197-W203 HydrophobicContact CE1-CD2 3.62Å; Y197-W203 AromaticContact CE1-CE2 3.65Å; Y197-W203 AromaticContact CE1-CE3 3.92Å; Y197-W203 HydrophobicContact CE1-CE3 3.92Å; Y197-W203 HydrophobicContact CE1-CG 4.07Å; Y197-W203 HydrophobicContact CE1-CH2 4.25Å; Y197-W203 AromaticContact CE1-CZ2 3.98Å; Y197-W203 HydrophobicContact CE1-CZ2 3.98Å; Y197-W203 HydrophobicContact CE1-CZ3 4.22Å; Y197-W203 AromaticContact CG-CD1 3.87Å; Y197-W203 HydrophobicContact CG-CG 4.29Å; Y197-W203 AromaticContact CG-NE1 3.9Å; P200-W203 PolarHBondContact O-N 3.25Å; E201-W203 VanDerWaalsContact C-N 3.33Å
204P96.2Very high94.8Very high114 Ų11499.2 Ų99.274%0.7450%0.502SS*.PPolyproline II helixtrans-69.3145.6174.130.4-34.2000110.5
205K95.2Very high94.7Very high85 Ų8598.6 Ų98.637%0.3750%0.499SS..PPolyproline II helixtrans-68.3144.6172.3-69.7170177.8-88.80110.6L211 D212 E215K205-L211 PolarHBondContact NZ-O 2.96Å; K205-D212 WeakPolarHBondContact CE-O 3.07Å; K205-D212 PolarHBondContact NZ-O 2.96Å; K205-E215 WeakPolarHBondContact CE-O 3.5Å; K205-E215 PolarHBondContact NZ-O 2.88Å
206S96.6Very high94.4Very high31 Ų3198 Ų9822%0.21750%0.498CS..PPolyproline II helixtrans-68159.8173.7177.10000111.9E185 Y208 S209E185-S206 WeakPolarHBondContact OE1-CB 3.38Å; E185-S206 PolarHBondContact OE1-OG 2.92Å; E185-S206 PolarHBondContact OE2-OG 2.91Å; E185-S206 VanDerWaalsContact OE2-OG 3.05Å; S206-Y208 PolarHBondContact O-N 3.43Å; S206-Y208 PolarHBondContact OG-N 2.96Å; S206-S209 WeakPolarHBondContact O-CB 3.37Å; S206-S209 PolarHBondContact O-N 2.95Å
207E96Very high94.4Very high126 Ų12695 Ų9559%0.58948%0.475SS*.THydrogen-bonded Turntrans-62-19.3169.465.7173.916700112.8K20K20-E207 IonicContact NZ-OE1 2.69Å; K20-E207 PolarHBondContact NZ-OE1 3.19Å; K20-E207 IonicContact NZ-OE2 3.42Å; K20-E207 PolarHBondContact NZ-OE2 3.13Å
208Y96.2Very high94.3Very high34 Ų3492.6 Ų92.613%0.13347%0.469CS..THydrogen-bonded Turntrans-104.15.7-179.9-52.4-68.9000114K20 E185 S206 Y230K20-Y208 HydrophobicContact CD-CE1 4.35Å; K20-Y208 WeakPolarHBondContact CD-OH 3.24Å; K20-Y208 WeakPolarHBondContact CE-OH 3.38Å; E185-Y208 WeakPolarHBondContact OE2-CD2 3.47Å; S206-Y208 PolarHBondContact O-N 3.43Å; S206-Y208 PolarHBondContact OG-N 2.96Å; Y208-Y230 AromaticContact CD1-CD1 3.19Å; Y208-Y230 HydrophobicContact CD1-CD1 3.19Å; Y208-Y230 AromaticContact CD1-CE1 3.58Å; Y208-Y230 HydrophobicContact CD1-CE1 3.58Å; Y208-Y230 AromaticContact CD1-CG 3.85Å; Y208-Y230 HydrophobicContact CD1-CG 3.85Å; Y208-Y230 AromaticContact CD2-CD1 3.97Å; Y208-Y230 HydrophobicContact CD2-CD1 3.97Å; Y208-Y230 HydrophobicContact CD2-CD2 4.2Å; Y208-Y230 AromaticContact CD2-CG 3.72Å; Y208-Y230 HydrophobicContact CD2-CG 3.72Å; Y208-Y230 AromaticContact CE1-CD1 3.55Å; Y208-Y230 HydrophobicContact CE1-CD1 3.55Å; Y208-Y230 HydrophobicContact CE1-CE1 4.34Å; Y208-Y230 HydrophobicContact CE1-CG 4.1Å; Y208-Y230 HydrophobicContact CE2-CD1 4.29Å; Y208-Y230 HydrophobicContact CE2-CG 4.01Å; Y208-Y230 AromaticContact CG-CD1 3.42Å; Y208-Y230 HydrophobicContact CG-CD1 3.42Å; Y208-Y230 VanDerWaalsContact CG-CD1 3.42Å; Y208-Y230 HydrophobicContact CG-CD2 4.16Å; Y208-Y230 AromaticContact CG-CE1 3.75Å; Y208-Y230 HydrophobicContact CG-CE1 3.75Å; Y208-Y230 HydrophobicContact CG-CE2 4.46Å; Y208-Y230 AromaticContact CG-CG 3.65Å; Y208-Y230 HydrophobicContact CG-CG 3.65Å
209S95.9Very high94.3Very high29 Ų2991.9 Ų91.920%0.20347%0.465CS..  trans-63134.2176.5158.90000110.7D189 S206 L211D189-S209 WeakPolarHBondContact OD1-CA 3.31Å; D189-S209 WeakPolarHBondContact OD1-CB 3.44Å; D189-S209 PolarHBondContact OD1-OG 3.37Å; D189-S209 VanDerWaalsContact OD1-OG 3.07Å; S206-S209 WeakPolarHBondContact O-CB 3.37Å; S206-S209 PolarHBondContact O-N 2.95Å; S209-L211 PolarHBondContact OG-N 2.89Å
210E92.9Very high94.3Very high139 Ų13992 Ų9265%0.6546%0.463SS*.  trans-102.72.2173.9-62.4-179.4-173.200112.1D189 R228D189-E210 PolarHBondContact OD2-N 3.15Å; D189-E210 VanDerWaalsContact OD2-N 3.09Å; E210-R228 IonicContact OE1-NH1 2.65Å; E210-R228 PolarHBondContact OE1-NH1 3.44Å
211L92.9Very high94.2Very high34 Ų3494.7 Ų94.718%0.17848%0.477CS..  trans-81144.4-177.5-65.9178.3000114.8D189 K205 S209 E215 A218D189-L211 HydrophobicContact CB-CD1 3.76Å; D189-L211 HydrophobicContact CB-CG 4Å; K205-L211 PolarHBondContact NZ-O 2.96Å; S209-L211 PolarHBondContact OG-N 2.89Å; L211-E215 HydrophobicContact CB-CB 4.5Å; L211-E215 HydrophobicContact CD1-CB 4.44Å; L211-E215 HydrophobicContact CD2-CB 4.41Å; L211-E215 WeakPolarHBondContact CD2-OE2 3.33Å; L211-A218 HydrophobicContact CD2-CB 4.48Å
212D92.1Very high94.2Very high122 Ų12292.3 Ų92.365%0.65247%0.473SS*.  trans-63.4162.4169.6-62.7-25.3000112.4K205 D214 E215K205-D212 WeakPolarHBondContact CE-O 3.07Å; K205-D212 PolarHBondContact NZ-O 2.96Å; D212-D214 PolarHBondContact O-N 3.46Å; D212-E215 PolarHBondContact O-N 3.5Å
213E88.5Confident94.2Very high188 Ų18892.7 Ų92.788%0.87948%0.479SS*.THydrogen-bonded Turntrans-63.8-26-175.3-153.3169-165.500113.5
214D90.8Very high94.1Very high166 Ų16687.3 Ų87.389%0.88847%0.467SS*.THydrogen-bonded Turntrans-78.8-20.4-179.6-69.5-28.7000113.7D212D212-D214 PolarHBondContact O-N 3.46Å
215E93.5Very high94Very high98 Ų9889.1 Ų89.146%0.45846%0.464SS..  trans-100.9127.1-179.4-68-166.4167.800111K205 L211 D212K205-E215 WeakPolarHBondContact CE-O 3.5Å; K205-E215 PolarHBondContact NZ-O 2.88Å; L211-E215 HydrophobicContact CB-CB 4.5Å; L211-E215 HydrophobicContact CD1-CB 4.44Å; L211-E215 HydrophobicContact CD2-CB 4.41Å; L211-E215 WeakPolarHBondContact CD2-OE2 3.33Å; D212-E215 PolarHBondContact O-N 3.5Å
216S91.8Very high94Very high50 Ų5086.3 Ų86.335%0.3545%0.454SS..SBendtrans-87-26.6-179.153.10000114P200P200-S216 WeakPolarHBondContact CB-OG 3.23Å
217Q95.1Very high93.7Very high55 Ų5590 Ų9026%0.25747%0.468SS..SBendtrans-159156.7177.262.4-176.6-1.800110.2D189 N190 P200D189-Q217 CarbonylContact O-C 3.56Å; D189-Q217 WeakPolarHBondContact O-CA 3Å; D189-Q217 WeakPolarHBondContact O-CB 3.28Å; N190-Q217 HydrophobicContact CB-CB 4.46Å; N190-Q217 PolarHBondContact ND2-OE1 2.95Å; P200-Q217 HydrophobicContact CB-CG 4.28Å
218A95.1Very high93.7Very high16 Ų1688.2 Ų88.213%0.13246%0.456CS..PPolyproline II helixtrans-67.9154.3-17900000112.1D189 A191 L211D189-A218 HydrophobicContact CB-CB 3.77Å; D189-A218 WeakPolarHBondContact O-CB 3.2Å; D189-A218 PolarHBondContact O-N 2.93Å; A191-A218 HydrophobicContact CB-CB 3.81Å; L211-A218 HydrophobicContact CD2-CB 4.48Å
219P95.1Very high93.8Very high105 Ų10586.6 Ų86.668%0.68245%0.449SS*.PPolyproline II helixtrans-61.7145170.727.4-34.7000110.5D221P219-D221 PolarHBondContact O-N 3.09Å
220Y95.8Very high93.9Very high109 Ų10985.9 Ų85.943%0.42744%0.443SS..PPolyproline II helixtrans-72127-176175.3-116.3000113A191 R193 P222A191-Y220 WeakPolarHBondContact O-CA 3.28Å; A191-Y220 VanDerWaalsContact O-CD2 3.32Å; A191-Y220 WeakPolarHBondContact O-CD2 3.32Å; R193-Y220 HydrophobicContact CB-CD2 4.04Å; R193-Y220 HydrophobicContact CB-CE2 4.13Å; R193-Y220 HydrophobicContact CG-CD2 3.58Å; R193-Y220 HydrophobicContact CG-CE2 4.17Å; R193-Y220 HydrophobicContact CG-CG 4.34Å; R193-Y220 VanDerWaalsContact NH2-CB 3.34Å; Y220-P222 HydrophobicContact CE1-CB 3.84Å; Y220-P222 WeakPolarHBondContact O-CD 3.41Å
221D94.1Very high94.1Very high72 Ų7279.3 Ų79.339%0.38541%0.412SS..  trans-104.4106.9171.8-177.16.3000110.7A191 P219 N223 G224A191-D221 PolarHBondContact O-N 3.02Å; A191-D221 VanDerWaalsContact O-N 3.1Å; P219-D221 PolarHBondContact O-N 3.09Å; D221-N223 PolarHBondContact O-N 2.82Å; D221-N223 PolarHBondContact OD1-N 2.89Å; D221-G224 PolarHBondContact O-N 3.24Å; D221-G224 PolarHBondContact OD1-N 3.39Å; D221-G224 VanDerWaalsContact OD2-CA 3.29Å; D221-G224 WeakPolarHBondContact OD2-CA 3.41Å; D221-G224 PolarHBondContact OD2-N 3.27Å
222P93.9Very high94.4Very high90 Ų9079.2 Ų79.258%0.58441%0.411SS*.THydrogen-bonded Turntrans-70.1-17.6177.829.5-35.2000113.8Y220Y220-P222 HydrophobicContact CE1-CB 3.84Å; Y220-P222 WeakPolarHBondContact O-CD 3.41Å
223N95.3Very high94.6Very high143 Ų14373.4 Ų73.477%0.76538%0.38SS*.THydrogen-bonded Turntrans-99.1-10.5179.7-62.6-53.1000112.8D221D221-N223 PolarHBondContact O-N 2.82Å; D221-N223 PolarHBondContact OD1-N 2.89Å
224G92.3Very high95.1Very high27 Ų2768.7 Ų68.728%0.27836%0.358SS..  trans-62.3150.2-177.800000112.3L192 D221L192-G224 VanDerWaalsContact CD2-C 3.41Å; D221-G224 PolarHBondContact O-N 3.24Å; D221-G224 PolarHBondContact OD1-N 3.39Å; D221-G224 VanDerWaalsContact OD2-CA 3.29Å; D221-G224 WeakPolarHBondContact OD2-CA 3.41Å; D221-G224 PolarHBondContact OD2-N 3.27Å
225K94.1Very high95.3Very high153 Ų15361.3 Ų61.367%0.66532%0.32SS*.  trans-130155.7170.6-68.6-176.8-178.7178.20109.3E227K225-E227 PolarHBondContact O-N 3.04Å
226P94.9Very high95.2Very high25 Ų2558.8 Ų58.816%0.16231%0.312CS..  trans-63111.7171-19.832.1000109.8L28 Y186 L192 F229L28-P226 HydrophobicContact CB-CB 4.3Å; L28-P226 HydrophobicContact CB-CG 4.46Å; L28-P226 HydrophobicContact CD2-CG 4.47Å; Y186-P226 HydrophobicContact CD2-CB 3.79Å; Y186-P226 HydrophobicContact CD2-CG 4.16Å; Y186-P226 HydrophobicContact CE2-CB 4.17Å; Y186-P226 HydrophobicContact CE2-CG 4.04Å; Y186-P226 HydrophobicContact CG-CB 4.42Å; L192-P226 HydrophobicContact CD1-CB 4.27Å; L192-P226 HydrophobicContact CD1-CG 3.69Å; P226-F229 HydrophobicContact CB-CE1 3.94Å; P226-F229 HydrophobicContact CB-CZ 3.81Å; P226-F229 WeakPolarHBondContact O-CZ 3.4Å
227E91.3Very high95.2Very high109 Ų10957.8 Ų57.851%0.50931%0.31SS..  trans-119.5-39.2-176.5-73.9-178.2178.100113.1E24 N25 K225E24-E227 VanDerWaalsContact CA-O 3.31Å; E24-E227 WeakPolarHBondContact CA-O 3.41Å; N25-E227 PolarHBondContact N-O 2.93Å; K225-E227 PolarHBondContact O-N 3.04Å
228R95.5Very high95.1Very high88 Ų8855.2 Ų55.233%0.33230%0.298SS..  trans-103.2118.7-178.2-57.5179.282.8-164.8-4.3109.4E24 E210 Y230E24-R228 HydrophobicContact CG-CG 4.11Å; E24-R228 IonicContact OE1-CZ 3.32Å; E24-R228 IonicContact OE1-NE 3.06Å; E24-R228 PolarHBondContact OE1-NE 2.72Å; E24-R228 IonicContact OE1-NH2 2.8Å; E24-R228 PolarHBondContact OE1-NH2 2.9Å; E210-R228 IonicContact OE1-NH1 2.65Å; E210-R228 PolarHBondContact OE1-NH1 3.44Å; R228-Y230 HydrophobicContact CB-CE2 4.39Å
229F98.1Very high95.1Very high0 Ų054.6 Ų54.60%029%0.292CS..EExtended strand (participates in β ladder)trans-118.2123.9-178.9-56-84.8000110.2I22 I23 T26 L28 A31 F184 E185 Y186 P226 Y231I22-F229 WeakPolarHBondContact CA-O 3.24Å; I23-F229 PolarHBondContact N-O 2.85Å; I23-F229 PolarHBondContact O-N 2.95Å; T26-F229 HydrophobicContact CG2-CD2 3.5Å; T26-F229 VanDerWaalsContact CG2-CD2 3.5Å; T26-F229 HydrophobicContact CG2-CE2 3.39Å; T26-F229 HydrophobicContact CG2-CZ 4.46Å; T26-F229 WeakPolarHBondContact O-CE2 3.27Å; L28-F229 HydrophobicContact CB-CE1 4.03Å; L28-F229 HydrophobicContact CB-CZ 4.06Å; L28-F229 HydrophobicContact CD1-CD1 4.41Å; L28-F229 HydrophobicContact CD1-CE1 3.67Å; L28-F229 HydrophobicContact CG-CE1 4.46Å; A31-F229 HydrophobicContact CB-CB 4.45Å; A31-F229 HydrophobicContact CB-CD1 3.74Å; A31-F229 HydrophobicContact CB-CD2 3.96Å; A31-F229 HydrophobicContact CB-CE1 3.94Å; A31-F229 HydrophobicContact CB-CE2 4.13Å; A31-F229 HydrophobicContact CB-CG 3.76Å; A31-F229 HydrophobicContact CB-CZ 4.12Å; F184-F229 HydrophobicContact CE2-CB 4.2Å; F184-F229 AromaticContact CE2-CD1 3.88Å; F184-F229 HydrophobicContact CE2-CD1 3.88Å; F184-F229 HydrophobicContact CE2-CG 4.39Å; F184-F229 AromaticContact CZ-CD1 3.69Å; F184-F229 HydrophobicContact CZ-CD1 3.69Å; F184-F229 HydrophobicContact CZ-CE1 4.29Å; E185-F229 WeakPolarHBondContact O-CA 3.29Å; Y186-F229 HydrophobicContact CD1-CE1 4.5Å; Y186-F229 HydrophobicContact CG-CD1 4.3Å; Y186-F229 HydrophobicContact CG-CE1 4.19Å; P226-F229 HydrophobicContact CB-CE1 3.94Å; P226-F229 HydrophobicContact CB-CZ 3.81Å; P226-F229 WeakPolarHBondContact O-CZ 3.4Å; F229-Y231 HydrophobicContact CB-CD2 4.22Å; F229-Y231 HydrophobicContact CB-CE2 3.61Å
230Y98.1Very high95Very high15 Ų1554.5 Ų54.56%0.05928%0.278CS..EExtended strand (participates in β ladder)trans-99125.1-179-53.9-92.5000109.3I22 F184 E185 P188 Y208 R228I22-Y230 HydrophobicContact CD1-CD1 3.89Å; I22-Y230 HydrophobicContact CD1-CE1 3.73Å; I22-Y230 HydrophobicContact CG1-CD1 3.73Å; I22-Y230 HydrophobicContact CG1-CE1 4.05Å; I22-Y230 HydrophobicContact CG2-CD1 4.4Å; I22-Y230 HydrophobicContact CG2-CE1 4.38Å; F184-Y230 WeakPolarHBondContact CA-O 3.21Å; E185-Y230 PolarHBondContact N-O 3.49Å; E185-Y230 PolarHBondContact O-N 3.44Å; P188-Y230 HydrophobicContact CG-CD2 4.22Å; P188-Y230 HydrophobicContact CG-CE2 3.69Å; Y208-Y230 AromaticContact CD1-CD1 3.19Å; Y208-Y230 HydrophobicContact CD1-CD1 3.19Å; Y208-Y230 AromaticContact CD1-CE1 3.58Å; Y208-Y230 HydrophobicContact CD1-CE1 3.58Å; Y208-Y230 AromaticContact CD1-CG 3.85Å; Y208-Y230 HydrophobicContact CD1-CG 3.85Å; Y208-Y230 AromaticContact CD2-CD1 3.97Å; Y208-Y230 HydrophobicContact CD2-CD1 3.97Å; Y208-Y230 HydrophobicContact CD2-CD2 4.2Å; Y208-Y230 AromaticContact CD2-CG 3.72Å; Y208-Y230 HydrophobicContact CD2-CG 3.72Å; Y208-Y230 AromaticContact CE1-CD1 3.55Å; Y208-Y230 HydrophobicContact CE1-CD1 3.55Å; Y208-Y230 HydrophobicContact CE1-CE1 4.34Å; Y208-Y230 HydrophobicContact CE1-CG 4.1Å; Y208-Y230 HydrophobicContact CE2-CD1 4.29Å; Y208-Y230 HydrophobicContact CE2-CG 4.01Å; Y208-Y230 AromaticContact CG-CD1 3.42Å; Y208-Y230 HydrophobicContact CG-CD1 3.42Å; Y208-Y230 VanDerWaalsContact CG-CD1 3.42Å; Y208-Y230 HydrophobicContact CG-CD2 4.16Å; Y208-Y230 AromaticContact CG-CE1 3.75Å; Y208-Y230 HydrophobicContact CG-CE1 3.75Å; Y208-Y230 HydrophobicContact CG-CE2 4.46Å; Y208-Y230 AromaticContact CG-CG 3.65Å; Y208-Y230 HydrophobicContact CG-CG 3.65Å; R228-Y230 HydrophobicContact CB-CE2 4.39Å
231Y98.3Very high94.9Very high1 Ų149.4 Ų49.40%0.00426%0.259CS..EExtended strand (participates in β ladder)trans-120.1141.1179.8-74.2-110000110.1K20 F21 I23 A31 R35 F38 A183 F184 F229K20-Y231 VanDerWaalsContact CA-O 3.29Å; K20-Y231 WeakPolarHBondContact CA-O 3.11Å; K20-Y231 WeakPolarHBondContact CG-O 3.38Å; F21-Y231 HydrophobicContact CE1-CG 4.43Å; F21-Y231 HydrophobicContact CE2-CD1 4.37Å; F21-Y231 AromaticContact CE2-CD2 3.93Å; F21-Y231 HydrophobicContact CE2-CD2 3.93Å; F21-Y231 AromaticContact CE2-CG 3.78Å; F21-Y231 HydrophobicContact CE2-CG 3.78Å; F21-Y231 AromaticContact CZ-CD1 4Å; F21-Y231 HydrophobicContact CZ-CD1 4Å; F21-Y231 HydrophobicContact CZ-CD2 4.35Å; F21-Y231 AromaticContact CZ-CG 3.73Å; F21-Y231 HydrophobicContact CZ-CG 3.73Å; F21-Y231 PolarHBondContact N-O 3.46Å; F21-Y231 PolarHBondContact O-N 2.92Å; I23-Y231 HydrophobicContact CD1-CE2 4.06Å; I23-Y231 HydrophobicContact CG1-CE2 4.36Å; A31-Y231 WeakPolarHBondContact CA-OH 3.38Å; A31-Y231 VanDerWaalsContact CB-OH 3.23Å; A31-Y231 WeakPolarHBondContact CB-OH 3.47Å; A31-Y231 PolarHBondContact O-OH 2.78Å; R35-Y231 HydrophobicContact CB-CE1 4.04Å; R35-Y231 HydrophobicContact CG-CE1 4.48Å; F38-Y231 AromaticContact CE2-CD1 3.86Å; F38-Y231 HydrophobicContact CE2-CD1 3.86Å; F38-Y231 AromaticContact CE2-CE1 3.98Å; F38-Y231 HydrophobicContact CE2-CE1 3.98Å; A183-Y231 WeakPolarHBondContact O-CA 3.42Å; F184-Y231 HydrophobicContact CD2-CD1 4.27Å; F184-Y231 HydrophobicContact CD2-CD2 4.3Å; F184-Y231 AromaticContact CD2-CE1 3.74Å; F184-Y231 HydrophobicContact CD2-CE1 3.74Å; F184-Y231 AromaticContact CD2-CE2 3.76Å; F184-Y231 HydrophobicContact CD2-CE2 3.76Å; F184-Y231 AromaticContact CD2-CZ 3.45Å; F184-Y231 VanDerWaalsContact CD2-CZ 3.45Å; F184-Y231 HydrophobicContact CE2-CE1 4.22Å; F184-Y231 AromaticContact CE2-CE2 3.73Å; F184-Y231 HydrophobicContact CE2-CE2 3.73Å; F184-Y231 AromaticContact CE2-CZ 3.49Å; F184-Y231 VanDerWaalsContact CE2-CZ 3.49Å; F184-Y231 VanDerWaalsContact CE2-OH 3.28Å; F184-Y231 WeakPolarHBondContact CE2-OH 3.41Å; F229-Y231 HydrophobicContact CB-CD2 4.22Å; F229-Y231 HydrophobicContact CB-CE2 3.61Å
232N98Very high94.9Very high32 Ų3249.3 Ų49.317%0.17126%0.256CS..EExtended strand (participates in β ladder)trans-129.7111.6159-169.42.9000108.5K20 V182 A183K20-N232 HydrophobicContact CG-CB 4.35Å; V182-N232 CarbonylContact C-O 3.55Å; V182-N232 WeakPolarHBondContact CA-O 3.41Å; A183-N232 HydrophobicContact CB-CB 3.84Å; A183-N232 PolarHBondContact N-O 3.33Å; A183-N232 PolarHBondContact O-N 3.39Å; A183-N232 VanDerWaalsContact O-N 3.1Å
233V97.8Very high95Very high0 Ų046.4 Ų46.40%024%0.236CC..EExtended strand (participates in β ladder)trans-104.2110.5-179-176.90000108.5N18 V19 F21 F38 T179 V182 I244 V245N18-V233 CarbonylContact C-O 3.49Å; N18-V233 VanDerWaalsContact CA-O 3.24Å; N18-V233 WeakPolarHBondContact CA-O 3.5Å; V19-V233 HydrophobicContact CG1-CB 3.94Å; V19-V233 PolarHBondContact N-O 3.1Å; V19-V233 PolarHBondContact O-N 2.98Å; F21-V233 HydrophobicContact CE1-CG2 3.91Å; F21-V233 HydrophobicContact CZ-CG2 4.38Å; F38-V233 HydrophobicContact CD2-CG2 3.73Å; F38-V233 HydrophobicContact CE2-CG2 3.63Å; F38-V233 HydrophobicContact CZ-CG2 4.44Å; T179-V233 HydrophobicContact CG2-CG1 3.96Å; V182-V233 HydrophobicContact CG1-CG2 4.28Å; V182-V233 HydrophobicContact CG2-CG1 4.5Å; V233-I244 HydrophobicContact CG1-CG2 4.35Å; V233-V245 HydrophobicContact CG2-CG2 4.45Å
234E97.3Very high95Very high88 Ų8839.6 Ų39.641%0.41120%0.2SC..EExtended strand (participates in β ladder)trans-98.2128.3177.7-172.7-173.3178.700110E17 N18 T179 A180 G181E17-E234 WeakPolarHBondContact O-CA 3.5Å; N18-E234 HydrophobicContact CB-CB 4.42Å; T179-E234 CarbonylContact C-O 3.54Å; T179-E234 VanDerWaalsContact CA-O 3.28Å; T179-E234 WeakPolarHBondContact CA-O 3.46Å; A180-E234 HydrophobicContact CB-CB 4.47Å; A180-E234 HydrophobicContact CB-CG 4.12Å; A180-E234 PolarHBondContact N-O 3.2Å; G181-E234 WeakPolarHBondContact O-CB 3.31Å; G181-E234 PolarHBondContact O-N 2.96Å
235S95.3Very high95.2Very high11 Ų1139.5 Ų39.58%0.07719%0.194CC..EExtended strand (participates in β ladder)trans-84.9149.2178.8179.70000111.9E17 G237 L239E17-S235 PolarHBondContact O-N 3.24Å; S235-G237 PolarHBondContact O-N 2.61Å; S235-G237 PolarHBondContact OG-N 2.92Å; S235-L239 WeakPolarHBondContact CB-O 3.46Å; S235-L239 PolarHBondContact OG-O 3.1Å
236C92.9Very high95.2Very high45 Ų4537.6 Ų37.630%0.30419%0.191SC..  trans-78.12.5166.2700000113.6P178P178-C236 PolarHBondContact O-N 3.33Å; P178-C236 PolarHBondContact O-SG 3.39Å
237G91.3Very high95.2Very high29 Ų2937.4 Ų37.430%0.29919%0.19SC..SBendtrans91.2-11.217900000115V130 S235V130-G237 VanDerWaalsContact CG2-C 3.43Å; V130-G237 VanDerWaalsContact CG2-O 3.31Å; V130-G237 WeakPolarHBondContact CG2-O 3.47Å; S235-G237 PolarHBondContact O-N 2.61Å; S235-G237 PolarHBondContact OG-N 2.92Å
238S93.1Very high95.4Very high1 Ų132.3 Ų32.31%0.00717%0.166CC..SBendtrans-71.5-32177.8171.40000113.4I44 L73 S75I44-S238 WeakPolarHBondContact CD1-OG 3.48Å; I44-S238 WeakPolarHBondContact CG1-OG 3.35Å; L73-S238 VanDerWaalsContact O-CB 3.27Å; L73-S238 WeakPolarHBondContact O-CB 3.37Å; L73-S238 PolarHBondContact O-OG 3.38Å; S75-S238 PolarHBondContact N-O 2.88Å; S75-S238 PolarHBondContact OG-O 3.24Å; S75-S238 PolarHBondContact OG-OG 3.42Å; S75-S238 VanDerWaalsContact OG-OG 3.12Å
239L93.7Very high95.5Very high3 Ų331.7 Ų31.72%0.01617%0.169CC..SBendtrans-127.8146.5173.9-72175.4000109.4V42 I44 S75 D76 V79 P178 S235 T243 I244V42-L239 HydrophobicContact CG1-CD1 3.82Å; I44-L239 HydrophobicContact CG1-CD1 4.47Å; I44-L239 HydrophobicContact CG1-CG 4.44Å; S75-L239 VanDerWaalsContact OG-CD2 3.23Å; S75-L239 WeakPolarHBondContact OG-CD2 3.47Å; S75-L239 WeakPolarHBondContact OG-CG 3.42Å; D76-L239 WeakPolarHBondContact OD1-CA 3.39Å; V79-L239 HydrophobicContact CG1-CD2 4.42Å; P178-L239 HydrophobicContact CB-CD1 4.05Å; S235-L239 WeakPolarHBondContact CB-O 3.46Å; S235-L239 PolarHBondContact OG-O 3.1Å; L239-T243 HydrophobicContact CD2-CG2 4.39Å; L239-I244 HydrophobicContact CB-CD1 4.27Å; L239-I244 HydrophobicContact CB-CG1 3.74Å; L239-I244 HydrophobicContact CD1-CG1 4.22Å
240R93.3Very high95.4Very high103 Ų10334.8 Ų34.839%0.38919%0.191SC..  trans-63.9143.3169.8-62.1-174.2-57131.616.5111.3D76 E242 T243 I244D76-R240 PolarHBondContact OD1-N 3.43Å; R240-E242 VanDerWaalsContact C-N 3.29Å; R240-E242 HydrophobicContact CB-CG 4.31Å; R240-E242 IonicContact CZ-OE1 2.74Å; R240-E242 IonicContact NH1-OE1 3.44Å; R240-E242 PolarHBondContact NH1-OE1 3.3Å; R240-E242 IonicContact NH2-OE1 2.7Å; R240-E242 PolarHBondContact NH2-OE1 3.27Å; R240-E242 PolarHBondContact O-N 3.32Å; R240-T243 WeakPolarHBondContact O-CA 3.44Å; R240-T243 WeakPolarHBondContact O-CB 3.45Å; R240-T243 PolarHBondContact O-N 3.14Å; R240-I244 PolarHBondContact O-N 3.44Å; R240-I244 VanDerWaalsContact O-N 3.14Å
241P94.9Very high95.1Very high2 Ų235.5 Ų35.51%0.01320%0.202CC..Hα-helixtrans-54.3-41.2-176.9-26.132.5000113.9D16 E17 V19 T243 I244 V245D16-P241 WeakPolarHBondContact O-CD 3.48Å; D16-P241 WeakPolarHBondContact O-CG 3.45Å; E17-P241 VanDerWaalsContact C-CG 3.48Å; E17-P241 WeakPolarHBondContact O-CG 3.37Å; V19-P241 HydrophobicContact CB-CB 3.99Å; V19-P241 HydrophobicContact CG1-CB 3.88Å; P241-T243 VanDerWaalsContact C-N 3.34Å; P241-T243 PolarHBondContact O-N 2.96Å; P241-I244 WeakPolarHBondContact O-CB 3.32Å; P241-I244 PolarHBondContact O-N 2.94Å; P241-V245 PolarHBondContact O-N 3.22Å
242E94.5Very high95Very high70 Ų7036.7 Ų36.733%0.32721%0.209SC..Hα-helixtrans-63.1-37.5176.261.1-176.5-143.300113R240 I244 V245 L246R240-E242 VanDerWaalsContact C-N 3.29Å; R240-E242 HydrophobicContact CB-CG 4.31Å; R240-E242 IonicContact CZ-OE1 2.74Å; R240-E242 IonicContact NH1-OE1 3.44Å; R240-E242 PolarHBondContact NH1-OE1 3.3Å; R240-E242 IonicContact NH2-OE1 2.7Å; R240-E242 PolarHBondContact NH2-OE1 3.27Å; R240-E242 PolarHBondContact O-N 3.32Å; E242-I244 VanDerWaalsContact C-N 3.34Å; E242-V245 PolarHBondContact O-N 3.35Å; E242-L246 WeakPolarHBondContact O-CG 3.33Å; E242-L246 PolarHBondContact O-N 3.22Å; E242-L246 VanDerWaalsContact O-N 3.1Å
243T94.1Very high94.9Very high29 Ų2942.4 Ų42.418%0.17823%0.232CC..Hα-helixtrans-67.4-37.2177.7-55.30000110.8L239 R240 P241 V245 L246 S247L239-T243 HydrophobicContact CD2-CG2 4.39Å; R240-T243 WeakPolarHBondContact O-CA 3.44Å; R240-T243 WeakPolarHBondContact O-CB 3.45Å; R240-T243 PolarHBondContact O-N 3.14Å; P241-T243 VanDerWaalsContact C-N 3.34Å; P241-T243 PolarHBondContact O-N 2.96Å; T243-V245 VanDerWaalsContact C-N 3.31Å; T243-V245 PolarHBondContact O-N 3.27Å; T243-L246 PolarHBondContact O-N 3.1Å; T243-S247 WeakPolarHBondContact O-CB 3.38Å; T243-S247 PolarHBondContact O-N 2.83Å
244I96Very high94.8Very high0 Ų048.8 Ų48.80%026%0.26CS..Hα-helixtrans-58.1-47175.4-62.2174.1000109.9F38 V42 P178 T179 V233 L239 R240 P241 E242 A248F38-I244 HydrophobicContact CD1-CG2 4.49Å; V42-I244 HydrophobicContact CG2-CG2 4.2Å; P178-I244 HydrophobicContact CB-CD1 4.02Å; P178-I244 HydrophobicContact CB-CG1 4.2Å; P178-I244 HydrophobicContact CG-CG2 4.4Å; P178-I244 WeakPolarHBondContact O-CD1 3.44Å; T179-I244 HydrophobicContact CG2-CD1 4.22Å; T179-I244 HydrophobicContact CG2-CG2 3.91Å; V233-I244 HydrophobicContact CG1-CG2 4.35Å; L239-I244 HydrophobicContact CB-CD1 4.27Å; L239-I244 HydrophobicContact CB-CG1 3.74Å; L239-I244 HydrophobicContact CD1-CG1 4.22Å; R240-I244 PolarHBondContact O-N 3.44Å; R240-I244 VanDerWaalsContact O-N 3.14Å; P241-I244 WeakPolarHBondContact O-CB 3.32Å; P241-I244 PolarHBondContact O-N 2.94Å; E242-I244 VanDerWaalsContact C-N 3.34Å; I244-A248 VanDerWaalsContact O-CB 3.24Å; I244-A248 WeakPolarHBondContact O-CB 3.27Å; I244-A248 PolarHBondContact O-N 3Å
245V95.6Very high94.8Very high25 Ų2549 Ų4915%0.15226%0.259CS..Hα-helixtrans-63.5-47.9-179.5178.20000111.3V19 F21 F38 V233 P241 E242 T243 A248 L249V19-V245 HydrophobicContact CG1-CG2 3.95Å; F21-V245 HydrophobicContact CE1-CG2 4.05Å; F21-V245 HydrophobicContact CZ-CG2 4.45Å; F38-V245 HydrophobicContact CE1-CB 4.19Å; F38-V245 HydrophobicContact CE1-CG1 4.14Å; F38-V245 HydrophobicContact CE1-CG2 4.1Å; F38-V245 HydrophobicContact CZ-CB 4.35Å; F38-V245 HydrophobicContact CZ-CG1 4.05Å; F38-V245 HydrophobicContact CZ-CG2 3.96Å; V233-V245 HydrophobicContact CG2-CG2 4.45Å; P241-V245 PolarHBondContact O-N 3.22Å; E242-V245 PolarHBondContact O-N 3.35Å; T243-V245 VanDerWaalsContact C-N 3.31Å; T243-V245 PolarHBondContact O-N 3.27Å; V245-A248 PolarHBondContact O-N 2.9Å; V245-L249 HydrophobicContact CG1-CD1 4.3Å; V245-L249 WeakPolarHBondContact O-CG 3.41Å; V245-L249 PolarHBondContact O-N 3Å; V245-L249 VanDerWaalsContact O-N 3.09Å
246L95.1Very high94.9Very high114 Ų11453.4 Ų53.460%0.59728%0.282SS*.Hα-helixtrans-65-41.8-179.7-67.5173.7000112.8E242 T243 S250E242-L246 WeakPolarHBondContact O-CG 3.33Å; E242-L246 PolarHBondContact O-N 3.22Å; E242-L246 VanDerWaalsContact O-N 3.1Å; T243-L246 PolarHBondContact O-N 3.1Å; L246-S250 WeakPolarHBondContact O-CB 3.31Å; L246-S250 PolarHBondContact O-N 2.94Å; L246-S250 PolarHBondContact O-OG 2.93Å
247S95.2Very high95.1Very high20 Ų2054.1 Ų54.114%0.1429%0.287CS..Hα-helixtrans-66-42.4178.4-173.90000111.1T243 S250 G251T243-S247 WeakPolarHBondContact O-CB 3.38Å; T243-S247 PolarHBondContact O-N 2.83Å; S247-S250 PolarHBondContact O-N 3.21Å; S247-G251 PolarHBondContact O-N 2.92Å
248A96Very high95.4Very high2 Ų256.3 Ų56.32%0.01729%0.292CS..Hα-helixtrans-60.8-47.9175.900000112.8V37 F38 V42 I244 V245 S250 G251 L252V37-A248 HydrophobicContact CB-CB 4.35Å; V37-A248 HydrophobicContact CG1-CB 3.63Å; V37-A248 WeakPolarHBondContact CG1-O 3.02Å; F38-A248 HydrophobicContact CD1-CB 3.32Å; F38-A248 HydrophobicContact CE1-CB 3.57Å; V42-A248 HydrophobicContact CG2-CB 3.58Å; I244-A248 VanDerWaalsContact O-CB 3.24Å; I244-A248 WeakPolarHBondContact O-CB 3.27Å; I244-A248 PolarHBondContact O-N 3Å; V245-A248 PolarHBondContact O-N 2.9Å; A248-S250 VanDerWaalsContact C-N 3.28Å; A248-S250 PolarHBondContact O-N 3.1Å; A248-G251 PolarHBondContact O-N 2.94Å; A248-L252 WeakPolarHBondContact O-CB 3.28Å; A248-L252 PolarHBondContact O-N 3.34Å
249L96Very high95.6Very high76 Ų7662 Ų6240%0.39832%0.321SS..Hα-helixtrans-61.4-40.4177.5-68.7176.1000111.4I34 V245 L252 K253I34-L249 HydrophobicContact CD1-CD2 3.95Å; I34-L249 HydrophobicContact CG1-CD2 4.01Å; I34-L249 HydrophobicContact CG2-CD2 4.3Å; V245-L249 HydrophobicContact CG1-CD1 4.3Å; V245-L249 WeakPolarHBondContact O-CG 3.41Å; V245-L249 PolarHBondContact O-N 3Å; V245-L249 VanDerWaalsContact O-N 3.09Å; L249-L252 PolarHBondContact O-N 3.26Å; L249-K253 VanDerWaalsContact O-CB 3.32Å; L249-K253 WeakPolarHBondContact O-CB 3.32Å; L249-K253 PolarHBondContact O-N 2.92Å
250S96Very high95.7Very high65 Ų6568.5 Ų68.546%0.45535%0.352SS..Hα-helixtrans-64.3-43.3176-61.70000112.1L246 S247 A248 K253 K254L246-S250 WeakPolarHBondContact O-CB 3.31Å; L246-S250 PolarHBondContact O-N 2.94Å; L246-S250 PolarHBondContact O-OG 2.93Å; S247-S250 PolarHBondContact O-N 3.21Å; A248-S250 VanDerWaalsContact C-N 3.28Å; A248-S250 PolarHBondContact O-N 3.1Å; S250-K253 PolarHBondContact O-N 3.05Å; S250-K254 WeakPolarHBondContact O-CB 3.46Å; S250-K254 PolarHBondContact O-N 2.61Å
251G93.6Very high96Very high29 Ų2966.5 Ų66.530%0.29935%0.351SS..Hα-helixtrans-63.8-43.5176.400000112.9S247 A248 K254 K255S247-G251 PolarHBondContact O-N 2.92Å; A248-G251 PolarHBondContact O-N 2.94Å; G251-K254 PolarHBondContact O-N 3.47Å; G251-K255 PolarHBondContact O-N 2.77Å
252L95.4Very high96Very high27 Ų2772.1 Ų72.114%0.14138%0.377CS..Hα-helixtrans-64.6-44.8176.5-175.358.6000111.5I34 V37 A248 L249 K255 L256I34-L252 HydrophobicContact CG1-CD2 4.12Å; V37-L252 HydrophobicContact CG2-CB 4.26Å; V37-L252 HydrophobicContact CG2-CD1 4.06Å; V37-L252 HydrophobicContact CG2-CD2 4.44Å; V37-L252 HydrophobicContact CG2-CG 4.48Å; A248-L252 WeakPolarHBondContact O-CB 3.28Å; A248-L252 PolarHBondContact O-N 3.34Å; L249-L252 PolarHBondContact O-N 3.26Å; L252-K255 PolarHBondContact O-N 3.42Å; L252-L256 WeakPolarHBondContact O-CG 3.46Å; L252-L256 PolarHBondContact O-N 2.94Å; L252-L256 VanDerWaalsContact O-N 3.08Å
253K96.6Very high96.1Very high152 Ų15273.7 Ų73.766%0.66139%0.388SS*.Hα-helixtrans-60.1-45.8175.2-176-179.568.7-179.90111.6L249 S250 K255 L256 S257L249-K253 VanDerWaalsContact O-CB 3.32Å; L249-K253 WeakPolarHBondContact O-CB 3.32Å; L249-K253 PolarHBondContact O-N 2.92Å; S250-K253 PolarHBondContact O-N 3.05Å; K253-K255 VanDerWaalsContact C-N 3.35Å; K253-K255 PolarHBondContact O-N 2.74Å; K253-L256 PolarHBondContact O-N 3.34Å; K253-S257 WeakPolarHBondContact O-CB 3.49Å; K253-S257 PolarHBondContact O-N 2.87Å
254K96Very high96.2Very high133 Ų13375 Ų7558%0.57840%0.397SS*.Hα-helixtrans-57.9-48177.2-177.5-172169.978.50110.7S250 G251 L256 S257 D258S250-K254 WeakPolarHBondContact O-CB 3.46Å; S250-K254 PolarHBondContact O-N 2.61Å; G251-K254 PolarHBondContact O-N 3.47Å; K254-L256 PolarHBondContact O-N 3.07Å; K254-S257 WeakPolarHBondContact O-CB 3.48Å; K254-S257 PolarHBondContact O-N 3.22Å; K254-S257 VanDerWaalsContact O-N 3.13Å; K254-D258 VanDerWaalsContact O-CG 3.26Å; K254-D258 PolarHBondContact O-N 2.69Å
255K96Very high96.1Very high92 Ų9279.6 Ų79.640%0.442%0.419SS..Hα-helixtrans-59.6-43.4179-174.8-172.4-67.7170.70113E41 G251 L252 K253 S257 D258 L259E41-K255 IonicContact OE1-NZ 2.76Å; E41-K255 PolarHBondContact OE1-NZ 3.26Å; E41-K255 IonicContact OE2-NZ 2.89Å; E41-K255 PolarHBondContact OE2-NZ 3.32Å; G251-K255 PolarHBondContact O-N 2.77Å; L252-K255 PolarHBondContact O-N 3.42Å; K253-K255 VanDerWaalsContact C-N 3.35Å; K253-K255 PolarHBondContact O-N 2.74Å; K255-S257 VanDerWaalsContact C-N 3.33Å; K255-D258 PolarHBondContact O-N 2.7Å; K255-L259 WeakPolarHBondContact O-CB 3.19Å; K255-L259 PolarHBondContact O-N 3.1Å
256L96.7Very high96.1Very high105 Ų10584.6 Ų84.655%0.5544%0.441SS..Hα-helixtrans-65.3-38.9176.7-68.8174.7000111.5L252 K253 K254 L259 Q260L252-L256 WeakPolarHBondContact O-CG 3.46Å; L252-L256 PolarHBondContact O-N 2.94Å; L252-L256 VanDerWaalsContact O-N 3.08Å; K253-L256 PolarHBondContact O-N 3.34Å; K254-L256 PolarHBondContact O-N 3.07Å; L256-L259 PolarHBondContact O-N 3.12Å; L256-Q260 WeakPolarHBondContact O-CB 3.4Å; L256-Q260 PolarHBondContact O-N 2.84Å
257S97.9Very high96.1Very high59 Ų5983.8 Ų83.841%0.41344%0.436SS..Hα-helixtrans-61.6-47.3173.7-172.10000111.6K253 K254 K255 L259 Q260 T261K253-S257 WeakPolarHBondContact O-CB 3.49Å; K253-S257 PolarHBondContact O-N 2.87Å; K254-S257 WeakPolarHBondContact O-CB 3.48Å; K254-S257 PolarHBondContact O-N 3.22Å; K254-S257 VanDerWaalsContact O-N 3.13Å; K255-S257 VanDerWaalsContact C-N 3.33Å; S257-L259 VanDerWaalsContact C-N 3.32Å; S257-L259 PolarHBondContact O-N 2.92Å; S257-Q260 PolarHBondContact O-N 3.47Å; S257-T261 PolarHBondContact O-N 3.08Å; S257-T261 PolarHBondContact O-OG1 3.1Å; S257-T261 VanDerWaalsContact O-OG1 3.13Å
258D97.3Very high95.9Very high75 Ų7588.5 Ų88.540%0.40146%0.456SS..Hα-helixtrans-62.3-41.8179.8-65.4-23.4000110.6K254 K255 Q260 T261 Q262K254-D258 VanDerWaalsContact O-CG 3.26Å; K254-D258 PolarHBondContact O-N 2.69Å; K255-D258 PolarHBondContact O-N 2.7Å; D258-Q260 PolarHBondContact O-N 2.85Å; D258-T261 PolarHBondContact O-N 3.32Å; D258-Q262 WeakPolarHBondContact O-CG 3.33Å; D258-Q262 PolarHBondContact O-N 2.88Å
259L97.5Very high95.7Very high120 Ų12090.8 Ų90.863%0.62847%0.471SS*.Hα-helixtrans-61-44.4174.4-177.667000111.8K255 L256 S257 T261 Q262 L263K255-L259 WeakPolarHBondContact O-CB 3.19Å; K255-L259 PolarHBondContact O-N 3.1Å; L256-L259 PolarHBondContact O-N 3.12Å; S257-L259 VanDerWaalsContact C-N 3.32Å; S257-L259 PolarHBondContact O-N 2.92Å; L259-T261 VanDerWaalsContact C-N 3.33Å; L259-T261 PolarHBondContact O-N 3.29Å; L259-Q262 PolarHBondContact O-N 3.19Å; L259-L263 WeakPolarHBondContact O-CB 3.41Å; L259-L263 PolarHBondContact O-N 2.79Å
260Q97Very high95.3Very high140 Ų14091.7 Ų91.765%0.65448%0.477SS*.Hα-helixtrans-62.9-40.2177.2-174.4179.79.900111.5L256 S257 D258 L263 S264L256-Q260 WeakPolarHBondContact O-CB 3.4Å; L256-Q260 PolarHBondContact O-N 2.84Å; S257-Q260 PolarHBondContact O-N 3.47Å; D258-Q260 PolarHBondContact O-N 2.85Å; Q260-L263 PolarHBondContact O-N 3.07Å; Q260-S264 WeakPolarHBondContact O-CB 3.39Å; Q260-S264 PolarHBondContact O-N 3.25Å
261T97.7Very high94.5Very high61 Ų6192.8 Ų92.837%0.37448%0.481SS..Hα-helixtrans-62.5-46175.1-61.20000111.5S257 D258 L259 L263 S264 H265S257-T261 PolarHBondContact O-N 3.08Å; S257-T261 PolarHBondContact O-OG1 3.1Å; S257-T261 VanDerWaalsContact O-OG1 3.13Å; D258-T261 PolarHBondContact O-N 3.32Å; L259-T261 VanDerWaalsContact C-N 3.33Å; L259-T261 PolarHBondContact O-N 3.29Å; T261-L263 PolarHBondContact O-N 3.15Å; T261-S264 WeakPolarHBondContact O-CB 3.5Å; T261-S264 PolarHBondContact O-N 2.82Å; T261-H265 PolarHBondContact O-N 3.21Å
262Q96.7Very high93.4Very high120 Ų12097.8 Ų97.856%0.56150%0.5SS*.Hα-helixtrans-64.7-40.3177.8-63.9-51.4-3300112.1D258 L259 S264 H265 E266D258-Q262 WeakPolarHBondContact O-CG 3.33Å; D258-Q262 PolarHBondContact O-N 2.88Å; L259-Q262 PolarHBondContact O-N 3.19Å; Q262-S264 VanDerWaalsContact C-N 3.3Å; Q262-S264 PolarHBondContact O-N 2.9Å; Q262-H265 PolarHBondContact O-N 3.31Å; Q262-E266 PolarHBondContact O-N 2.74Å
263L96.2Very high91.9Very high104 Ų104101.6 Ų101.655%0.54552%0.524SS..Hα-helixtrans-61.3-40.8173.7-179.663.8000111.7L259 Q260 T261 H265 E266 I267L259-L263 WeakPolarHBondContact O-CB 3.41Å; L259-L263 PolarHBondContact O-N 2.79Å; Q260-L263 PolarHBondContact O-N 3.07Å; T261-L263 PolarHBondContact O-N 3.15Å; L263-H265 VanDerWaalsContact C-N 3.34Å; L263-H265 PolarHBondContact O-N 2.66Å; L263-E266 PolarHBondContact O-N 3.19Å; L263-I267 HydrophobicContact CD1-CD1 4.18Å; L263-I267 HydrophobicContact CD1-CG1 4.34Å; L263-I267 HydrophobicContact CG-CD1 3.92Å; L263-I267 HydrophobicContact CG-CG1 4.5Å; L263-I267 VanDerWaalsContact O-CG1 3.31Å; L263-I267 WeakPolarHBondContact O-CG1 3.36Å; L263-I267 PolarHBondContact O-N 3.32Å
264S95.7Very high90.1Very high55 Ų55100.5 Ų100.539%0.38552%0.524SS..Hα-helixtrans-62.6-40.7176.8-178.10000112.1Q260 T261 Q262 E266 Q268Q260-S264 WeakPolarHBondContact O-CB 3.39Å; Q260-S264 PolarHBondContact O-N 3.25Å; T261-S264 WeakPolarHBondContact O-CB 3.5Å; T261-S264 PolarHBondContact O-N 2.82Å; Q262-S264 VanDerWaalsContact C-N 3.3Å; Q262-S264 PolarHBondContact O-N 2.9Å; S264-E266 VanDerWaalsContact C-N 3.33Å; S264-Q268 VanDerWaalsContact O-CG 3.31Å; S264-Q268 WeakPolarHBondContact O-CG 3.46Å; S264-Q268 PolarHBondContact O-N 3.08Å
265H94.8Very high87.9Confident98 Ų98103.6 Ų103.645%0.45455%0.547SS..Hα-helixtrans-63.9-40.5174.3-65.7161.9000111.5T261 Q262 L263 Q268 S269T261-H265 PolarHBondContact O-N 3.21Å; Q262-H265 PolarHBondContact O-N 3.31Å; L263-H265 VanDerWaalsContact C-N 3.34Å; L263-H265 PolarHBondContact O-N 2.66Å; H265-Q268 PolarHBondContact O-N 2.9Å; H265-S269 PolarHBondContact O-N 3.34Å; H265-S269 PolarHBondContact O-OG 3.28Å
266E94.4Very high87.5Confident129 Ų129104.2 Ų104.260%0.60356%0.555SS**Hα-helixtrans-70.1-37.3-178.1-165.768.2164.800113Q262 L263 S264 Q268 S269 D270Q262-E266 PolarHBondContact O-N 2.74Å; L263-E266 PolarHBondContact O-N 3.19Å; S264-E266 VanDerWaalsContact C-N 3.33Å; E266-Q268 VanDerWaalsContact C-N 3.26Å; E266-Q268 PolarHBondContact O-N 3.41Å; E266-S269 WeakPolarHBondContact CA-OG 3.22Å; E266-S269 PolarHBondContact O-N 3.37Å; E266-S269 PolarHBondContact O-OG 3.41Å; E266-S269 PolarHBondContact OE2-OG 3.19Å; E266-D270 WeakPolarHBondContact O-CB 3.29Å; E266-D270 PolarHBondContact O-N 3.32Å
267I94.7Very high87Confident98 Ų98104.2 Ų104.250%0.50356%0.555SS.*Hα-helixtrans-63.9-37.3173.8-67.1165.4000110.6L263 V271L263-I267 HydrophobicContact CD1-CD1 4.18Å; L263-I267 HydrophobicContact CD1-CG1 4.34Å; L263-I267 HydrophobicContact CG-CD1 3.92Å; L263-I267 HydrophobicContact CG-CG1 4.5Å; L263-I267 VanDerWaalsContact O-CG1 3.31Å; L263-I267 WeakPolarHBondContact O-CG1 3.36Å; L263-I267 PolarHBondContact O-N 3.32Å; I267-V271 VanDerWaalsContact O-CG2 3.3Å; I267-V271 WeakPolarHBondContact O-CG2 3.25Å; I267-V271 PolarHBondContact O-N 2.8Å
268Q92.4Very high86.4Confident119 Ų119106.7 Ų106.756%0.55656%0.563SS**Hα-helixtrans-70.7-37.9177.9-71.3174.85.100112.4S264 H265 E266 L272S264-Q268 VanDerWaalsContact O-CG 3.31Å; S264-Q268 WeakPolarHBondContact O-CG 3.46Å; S264-Q268 PolarHBondContact O-N 3.08Å; H265-Q268 PolarHBondContact O-N 2.9Å; E266-Q268 VanDerWaalsContact C-N 3.26Å; E266-Q268 PolarHBondContact O-N 3.41Å; Q268-L272 WeakPolarHBondContact O-CD1 3.38Å; Q268-L272 WeakPolarHBondContact O-CG 3.31Å; Q268-L272 PolarHBondContact O-N 2.96Å
269S90.9Very high85.7Confident49 Ų49108.5 Ų108.534%0.34357%0.572SS.*Hα-helixtrans-68.1-41.3177.159.90000111.7H265 E266 V271 L272 T273H265-S269 PolarHBondContact O-N 3.34Å; H265-S269 PolarHBondContact O-OG 3.28Å; E266-S269 WeakPolarHBondContact CA-OG 3.22Å; E266-S269 PolarHBondContact O-N 3.37Å; E266-S269 PolarHBondContact O-OG 3.41Å; E266-S269 PolarHBondContact OE2-OG 3.19Å; S269-V271 PolarHBondContact O-N 2.91Å; S269-L272 WeakPolarHBondContact O-CB 3.46Å; S269-L272 PolarHBondContact O-N 3.41Å; S269-L272 VanDerWaalsContact O-N 3.15Å; S269-T273 PolarHBondContact O-N 3.09Å; S269-T273 PolarHBondContact O-OG1 3.23Å
270D87.2Confident85Confident95 Ų95107.8 Ų107.851%0.50857%0.569SS.*Hα-helixtrans-66.7-38.6-177.8-162.618.9000112.3E266 L272 T273 I274E266-D270 WeakPolarHBondContact O-CB 3.29Å; E266-D270 PolarHBondContact O-N 3.32Å; D270-L272 VanDerWaalsContact C-N 3.26Å; D270-L272 PolarHBondContact O-N 3.06Å; D270-T273 WeakPolarHBondContact CA-OG1 3.49Å; D270-T273 PolarHBondContact O-N 3.29Å; D270-T273 PolarHBondContact O-OG1 3.22Å; D270-I274 WeakPolarHBondContact O-CG1 3.4Å; D270-I274 PolarHBondContact O-N 3.47Å
271V80.6Confident84.2Confident89 Ų89105.7 Ų105.754%0.53956%0.563SS.*Hα-helixtrans-63.7-32.4174.5173.70000111.9I267 S269 T273I267-V271 VanDerWaalsContact O-CG2 3.3Å; I267-V271 WeakPolarHBondContact O-CG2 3.25Å; I267-V271 PolarHBondContact O-N 2.8Å; S269-V271 PolarHBondContact O-N 2.91Å; V271-T273 VanDerWaalsContact C-N 3.34Å
272L68.8Low83.2Confident133 Ų133108.9 Ų108.970%0.69658%0.577SS**Hα-helixtrans-73.9-25177.5-70.5167.1000112.7Q268 S269 D270Q268-L272 WeakPolarHBondContact O-CD1 3.38Å; Q268-L272 WeakPolarHBondContact O-CG 3.31Å; Q268-L272 PolarHBondContact O-N 2.96Å; S269-L272 WeakPolarHBondContact O-CB 3.46Å; S269-L272 PolarHBondContact O-N 3.41Å; S269-L272 VanDerWaalsContact O-N 3.15Å; D270-L272 VanDerWaalsContact C-N 3.26Å; D270-L272 PolarHBondContact O-N 3.06Å
273T63.8Low82.2Confident107 Ų107108 Ų10866%0.65658%0.578SS**Hα-helixtrans-81.3-12.4177.133.50000114.7S269 D270 V271S269-T273 PolarHBondContact O-N 3.09Å; S269-T273 PolarHBondContact O-OG1 3.23Å; D270-T273 WeakPolarHBondContact CA-OG1 3.49Å; D270-T273 PolarHBondContact O-N 3.29Å; D270-T273 PolarHBondContact O-OG1 3.22Å; V271-T273 VanDerWaalsContact C-N 3.34Å
274I60.2Low81Confident129 Ų129108.3 Ų108.366%0.66258%0.581SS**  trans-93.5-4.8-178.1-60.9167.2000112.3D270D270-I274 WeakPolarHBondContact O-CG1 3.4Å; D270-I274 PolarHBondContact O-N 3.47Å
275N48.7Very low79.7Confident199 Ų199113.2 Ų113.2100%1.06460%0.599SS**  trans-107.90174.2-70.1-37.7000112.4

Retrieved 275 of 275 residues in 416 ms (Link to these results)

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