A0A077Z9H9_TRITR Loading...

Ndr domain containing protein

AlphaFold DB , UniProt , Accession A0A077Z9H9, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 329 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
1M32.9Very low65.4Low232 Ų232110.4 Ų110.4100%1.14358%0.576SS**  0113.40-71.4174.887.900106.3Q3M1-Q3 PolarHBondContact O-N 3.09Å
2E37.1Very low68Low187 Ų187111 Ų11187%0.87457%0.574SS**  trans-59.6109.5168.7-156.7169.6-164.100105.6S4E2-S4 PolarHBondContact O-N 3.34Å
3Q41.7Very low70.3Confident139 Ų139102.6 Ų102.665%0.6553%0.531SS*.  trans-58.2115.3174.3-74.7-178.74.700105.2M1 Q5M1-Q3 PolarHBondContact O-N 3.09Å; Q3-Q5 PolarHBondContact O-N 3.25Å
4S50.5Low72.2Confident112 Ų112102.1 Ų102.178%0.78354%0.537SS*.  trans-53.3110.3177.456.90000107E2E2-S4 PolarHBondContact O-N 3.34Å
5Q56.3Low73.8Confident74 Ų7495.7 Ų95.735%0.34650%0.504SS..PPolyproline II helixtrans-56.4135.1179.5-67-179.413.800107.7Q3 H53Q3-Q5 PolarHBondContact O-N 3.25Å; Q5-H53 PolarHBondContact NE2-CE1 3.39Å; Q5-H53 PolarHBondContact NE2-ND1 2.82Å; Q5-H53 VanDerWaalsContact NE2-ND1 3.14Å
6P58.4Low75Confident51 Ų5196.6 Ų96.633%0.33152%0.517SS..PPolyproline II helixtrans-54.2133.9173.623.3-31.6000108.2T8 Q26 N56P6-T8 PolarHBondContact O-N 3.11Å; P6-Q26 HydrophobicContact CG-CG 4.41Å; P6-N56 WeakPolarHBondContact CD-OD1 3.4Å; P6-N56 VanDerWaalsContact CG-OD1 3.31Å; P6-N56 WeakPolarHBondContact CG-OD1 3.31Å
7P67.6Low76Confident124 Ų12492.2 Ų92.281%0.80550%0.495SS*.PPolyproline II helixtrans-60.4124.5-174.623.4-32.7000109.7
8T85.9Confident77.1Confident40 Ų4087.3 Ų87.325%0.24547%0.469CS..PPolyproline II helixtrans-82.3125.7168.7520000108.9P6 A25 Q26 V52P6-T8 PolarHBondContact O-N 3.11Å; T8-A25 WeakPolarHBondContact CA-O 3.27Å; T8-Q26 HydrophobicContact CG2-CB 4.1Å; T8-Q26 HydrophobicContact CG2-CG 4.35Å; T8-V52 HydrophobicContact CG2-CG1 4.31Å; T8-V52 HydrophobicContact CG2-CG2 4.22Å
9K94.6Very high77.9Confident127 Ų12784.5 Ų84.555%0.55246%0.463SS*.EExtended strand (participates in β ladder)trans-84127.8172-175.8170.9170.6-174.60109.2Y11 A25K9-Y11 HydrophobicContact CB-CE2 3.92Å; K9-Y11 HydrophobicContact CD-CE2 3.84Å; K9-Y11 WeakPolarHBondContact CD-OH 3.39Å; K9-Y11 VanDerWaalsContact CE-OH 3.3Å; K9-Y11 WeakPolarHBondContact CE-OH 3.41Å; K9-Y11 HydrophobicContact CG-CD2 4.29Å; K9-Y11 HydrophobicContact CG-CE2 3.61Å; K9-Y11 PolarHBondContact NZ-OH 3.11Å; K9-Y11 WeakPolarHBondContact O-CD2 3.29Å; K9-A25 PolarHBondContact N-O 2.82Å; K9-A25 PolarHBondContact O-N 2.68Å
10I96.3Very high78.8Confident90 Ų9084.1 Ų84.146%0.46246%0.463SS..EExtended strand (participates in β ladder)trans-90134-178.5-48179.4000108.9K22 Y24I10-K22 HydrophobicContact CG2-CB 4.5Å; I10-K22 HydrophobicContact CG2-CG 4.49Å; I10-Y24 HydrophobicContact CD1-CD1 4.17Å; I10-Y24 HydrophobicContact CD1-CE1 3.52Å; I10-Y24 HydrophobicContact CG1-CD1 3.72Å; I10-Y24 HydrophobicContact CG1-CE1 3.58Å; I10-Y24 HydrophobicContact CG2-CE1 4.26Å
11Y97.7Very high79.7Confident38 Ų3880.1 Ų80.115%0.14944%0.441CS..EExtended strand (participates in β ladder)trans-122.5127.7173.1-66.9-97.2000108.9K9 K22 V23 A25 L29 Y106 F107K9-Y11 HydrophobicContact CB-CE2 3.92Å; K9-Y11 HydrophobicContact CD-CE2 3.84Å; K9-Y11 WeakPolarHBondContact CD-OH 3.39Å; K9-Y11 VanDerWaalsContact CE-OH 3.3Å; K9-Y11 WeakPolarHBondContact CE-OH 3.41Å; K9-Y11 HydrophobicContact CG-CD2 4.29Å; K9-Y11 HydrophobicContact CG-CE2 3.61Å; K9-Y11 PolarHBondContact NZ-OH 3.11Å; K9-Y11 WeakPolarHBondContact O-CD2 3.29Å; Y11-K22 CarbonylContact O-C 3.57Å; Y11-K22 WeakPolarHBondContact O-CA 3.47Å; Y11-V23 PolarHBondContact N-O 2.93Å; Y11-V23 PolarHBondContact O-N 2.71Å; Y11-A25 HydrophobicContact CD2-CB 4.08Å; Y11-A25 HydrophobicContact CE2-CB 3.7Å; Y11-L29 HydrophobicContact CE2-CD1 3.74Å; Y11-L29 WeakPolarHBondContact OH-CD1 3.39Å; Y11-Y106 HydrophobicContact CD1-CE1 4.09Å; Y11-F107 AromaticContact CD1-CE1 3.74Å; Y11-F107 HydrophobicContact CD1-CE1 3.74Å; Y11-F107 AromaticContact CD1-CZ 3.95Å; Y11-F107 HydrophobicContact CD1-CZ 3.95Å; Y11-F107 HydrophobicContact CD2-CE1 4.02Å; Y11-F107 AromaticContact CD2-CZ 3.77Å; Y11-F107 HydrophobicContact CD2-CZ 3.77Å; Y11-F107 AromaticContact CE1-CE1 3.78Å; Y11-F107 HydrophobicContact CE1-CE1 3.78Å; Y11-F107 HydrophobicContact CE1-CZ 4.4Å; Y11-F107 HydrophobicContact CE2-CE1 4.09Å; Y11-F107 HydrophobicContact CE2-CZ 4.26Å; Y11-F107 AromaticContact CG-CE1 3.84Å; Y11-F107 HydrophobicContact CG-CE1 3.84Å; Y11-F107 AromaticContact CG-CZ 3.6Å; Y11-F107 HydrophobicContact CG-CZ 3.6Å; Y11-F107 AromaticContact CZ-CE1 3.95Å
12E97.3Very high82.7Confident118 Ų11871.5 Ų71.555%0.55140%0.397SS*.EExtended strand (participates in β ladder)trans-95.3114.7170.9-69.9-171.2177.400108.3T20 K22E12-T20 HydrophobicContact CB-CG2 3.71Å; E12-T20 HydrophobicContact CG-CG2 4.29Å; E12-K22 HydrophobicContact CG-CG 4.14Å; E12-K22 WeakPolarHBondContact OE1-CE 3.45Å
13I97.7Very high85.7Confident2 Ų262.6 Ų62.61%0.0136%0.356CS..EExtended strand (participates in β ladder)trans-115.7115.4-171.3-57.8-178.8000108.2T15 T20 V21 V23 V103 Y106 F107I13-T15 HydrophobicContact CG2-CG2 4.23Å; I13-T15 PolarHBondContact O-N 3.16Å; I13-T20 WeakPolarHBondContact O-CA 2.93Å; I13-V21 HydrophobicContact CB-CG2 4.18Å; I13-V21 PolarHBondContact N-O 3.22Å; I13-V21 PolarHBondContact O-N 2.78Å; I13-V23 HydrophobicContact CD1-CB 4.1Å; I13-V23 HydrophobicContact CD1-CG2 3.75Å; I13-V103 HydrophobicContact CD1-CB 4.47Å; I13-V103 HydrophobicContact CD1-CG1 4.26Å; I13-V103 HydrophobicContact CD1-CG2 4.15Å; I13-Y106 HydrophobicContact CD1-CD1 3.61Å; I13-Y106 HydrophobicContact CD1-CE1 4.13Å; I13-Y106 HydrophobicContact CD1-CG 3.9Å; I13-Y106 HydrophobicContact CG1-CD1 3.96Å; I13-Y106 HydrophobicContact CG1-CD2 4.29Å; I13-Y106 HydrophobicContact CG1-CE1 4.11Å; I13-Y106 HydrophobicContact CG1-CE2 4.41Å; I13-Y106 HydrophobicContact CG1-CG 4.07Å; I13-Y106 HydrophobicContact CG2-CD2 3.9Å; I13-Y106 HydrophobicContact CG2-CG 3.93Å; I13-F107 HydrophobicContact CD1-CD2 4.31Å; I13-F107 HydrophobicContact CD1-CE2 3.52Å; I13-F107 HydrophobicContact CD1-CZ 3.88Å
14P96.5Very high88.3Confident96 Ų9656.9 Ų56.962%0.62333%0.328SS*.EExtended strand (participates in β ladder)trans-66.2125.9171-1932.1000110.3
15T96.6Very high90.6Very high6 Ų651.6 Ų51.64%0.03729%0.291CS..EExtended strand (participates in β ladder)trans-127.9131.2178.661.60000108.6I13 P17 G19 V21 D99 H102I13-T15 HydrophobicContact CG2-CG2 4.23Å; I13-T15 PolarHBondContact O-N 3.16Å; T15-P17 VanDerWaalsContact C-CD 3.44Å; T15-P17 VanDerWaalsContact C-N 3.35Å; T15-G19 WeakPolarHBondContact CA-O 3.45Å; T15-G19 PolarHBondContact N-O 3.19Å; T15-G19 CarbonylContact O-C 3.57Å; T15-G19 WeakPolarHBondContact O-CA 3.3Å; T15-G19 PolarHBondContact O-N 3.31Å; T15-G19 PolarHBondContact OG1-O 3.41Å; T15-V21 HydrophobicContact CG2-CG1 4.38Å; T15-V21 HydrophobicContact CG2-CG2 3.65Å; T15-D99 VanDerWaalsContact CB-OD1 3.31Å; T15-D99 WeakPolarHBondContact CB-OD1 3.49Å; T15-D99 HydrophobicContact CG2-CB 4.14Å; T15-D99 PolarHBondContact OG1-OD1 2.8Å; T15-H102 HydrophobicContact CG2-CB 3.93Å
16P93.4Very high92.5Very high109 Ų10948.2 Ų48.271%0.70828%0.276SS*.THydrogen-bonded Turntrans-55.1-39.4177.1-23.430.7000114.9
17P92.1Very high94.2Very high22 Ų2248 Ų4814%0.14328%0.283CS..THydrogen-bonded Turntrans-73.9-35.8-176.8-16.429.5000115.1T15 K95 Q98 D99T15-P17 VanDerWaalsContact C-CD 3.44Å; T15-P17 VanDerWaalsContact C-N 3.35Å; P17-K95 HydrophobicContact CB-CB 3.75Å; P17-K95 HydrophobicContact CB-CD 4.43Å; P17-K95 HydrophobicContact CB-CG 4.17Å; P17-Q98 HydrophobicContact CG-CB 3.94Å; P17-D99 WeakPolarHBondContact CB-OD1 3.36Å; P17-D99 VanDerWaalsContact CD-OD1 3.26Å; P17-D99 WeakPolarHBondContact CD-OD1 3.4Å; P17-D99 VanDerWaalsContact CG-OD1 3.28Å; P17-D99 WeakPolarHBondContact CG-OD1 3.32Å
18S94.8Very high95.4Very high4 Ų446.4 Ų46.43%0.02827%0.267CS..THydrogen-bonded Turntrans-121.24.1-168.2-59.90000114.4F88 P91 D99S18-F88 WeakPolarHBondContact O-CZ 3.31Å; S18-P91 VanDerWaalsContact OG-CB 3.31Å; S18-P91 WeakPolarHBondContact OG-CB 3.24Å; S18-P91 WeakPolarHBondContact OG-CG 3.45Å; S18-D99 WeakPolarHBondContact CB-OD2 3.27Å; S18-D99 VanDerWaalsContact OG-CG 3.3Å; S18-D99 PolarHBondContact OG-OD1 3.44Å; S18-D99 PolarHBondContact OG-OD2 3.09Å
19G93.5Very high95.7Very high34 Ų3445.7 Ų45.735%0.35126%0.262SS..EExtended strand (participates in β ladder)trans70.6-131.6-169.500000110.1T15T15-G19 WeakPolarHBondContact CA-O 3.45Å; T15-G19 PolarHBondContact N-O 3.19Å; T15-G19 CarbonylContact O-C 3.57Å; T15-G19 WeakPolarHBondContact O-CA 3.3Å; T15-G19 PolarHBondContact O-N 3.31Å; T15-G19 PolarHBondContact OG1-O 3.41Å
20T94.9Very high95.5Very high77 Ų7746.8 Ų46.847%0.47227%0.274SS..EExtended strand (participates in β ladder)trans-88.9120.1179.5-58.50000110.8E12 I13E12-T20 HydrophobicContact CB-CG2 3.71Å; E12-T20 HydrophobicContact CG-CG2 4.29Å; I13-T20 WeakPolarHBondContact O-CA 2.93Å
21V96.8Very high95.2Very high1 Ų146.5 Ų46.51%0.00627%0.273CS..EExtended strand (participates in β ladder)trans-101.5148170.5-58.40000110.5I13 T15 L72 V103I13-V21 HydrophobicContact CB-CG2 4.18Å; I13-V21 PolarHBondContact N-O 3.22Å; I13-V21 PolarHBondContact O-N 2.78Å; T15-V21 HydrophobicContact CG2-CG1 4.38Å; T15-V21 HydrophobicContact CG2-CG2 3.65Å; V21-L72 HydrophobicContact CB-CD1 3.91Å; V21-L72 HydrophobicContact CG1-CD1 4.49Å; V21-L72 HydrophobicContact CG2-CD1 3.79Å; V21-V103 HydrophobicContact CG2-CG2 4.06Å
22K97.8Very high94.9Very high50 Ų5049.9 Ų49.922%0.21729%0.286CS..EExtended strand (participates in β ladder)trans-96.9129.9174.9-71.9177-180164.80109.9I10 Y11 E12 Y24 C73 E78I10-K22 HydrophobicContact CG2-CB 4.5Å; I10-K22 HydrophobicContact CG2-CG 4.49Å; Y11-K22 CarbonylContact O-C 3.57Å; Y11-K22 WeakPolarHBondContact O-CA 3.47Å; E12-K22 HydrophobicContact CG-CG 4.14Å; E12-K22 WeakPolarHBondContact OE1-CE 3.45Å; K22-Y24 HydrophobicContact CB-CE2 3.77Å; K22-C73 HydrophobicContact CB-CB 4.25Å; K22-C73 WeakPolarHBondContact O-CB 3.22Å; K22-C73 PolarHBondContact O-N 3.44Å; K22-E78 HydrophobicContact CD-CB 4.33Å; K22-E78 HydrophobicContact CD-CG 4.07Å; K22-E78 IonicContact NZ-OE1 2.74Å; K22-E78 PolarHBondContact NZ-OE1 3.33Å
23V98.3Very high94.6Very high0 Ų052.9 Ų52.90%030%0.3CS..EExtended strand (participates in β ladder)trans-118125.1172.9179.90000109.4Y11 I13 L70 H71 L72 V103 F107Y11-V23 PolarHBondContact N-O 2.93Å; Y11-V23 PolarHBondContact O-N 2.71Å; I13-V23 HydrophobicContact CD1-CB 4.1Å; I13-V23 HydrophobicContact CD1-CG2 3.75Å; V23-L70 HydrophobicContact CG1-CB 3.93Å; V23-L70 HydrophobicContact CG1-CD2 4.13Å; V23-H71 WeakPolarHBondContact CA-O 3.47Å; V23-L72 HydrophobicContact CG2-CD1 4.07Å; V23-V103 HydrophobicContact CG1-CG1 4.35Å; V23-V103 HydrophobicContact CG2-CB 4.41Å; V23-V103 HydrophobicContact CG2-CG1 3.78Å; V23-V103 HydrophobicContact CG2-CG2 3.68Å; V23-F107 HydrophobicContact CB-CE2 4.37Å; V23-F107 HydrophobicContact CG1-CE2 3.98Å; V23-F107 HydrophobicContact CG1-CZ 4.38Å
24Y97.9Very high94.3Very high19 Ų1956.6 Ų56.68%0.07534%0.339CS..EExtended strand (participates in β ladder)trans-99.7106.9179.1-64.4-106.4000107.8I10 K22 H48 H71 C73I10-Y24 HydrophobicContact CD1-CD1 4.17Å; I10-Y24 HydrophobicContact CD1-CE1 3.52Å; I10-Y24 HydrophobicContact CG1-CD1 3.72Å; I10-Y24 HydrophobicContact CG1-CE1 3.58Å; I10-Y24 HydrophobicContact CG2-CE1 4.26Å; K22-Y24 HydrophobicContact CB-CE2 3.77Å; Y24-H48 AromaticContact CD1-CD2 3.54Å; Y24-H48 AromaticContact CD1-CE1 3.94Å; Y24-H48 AromaticContact CD1-NE2 3.28Å; Y24-H48 VanDerWaalsContact CD1-NE2 3.28Å; Y24-H48 WeakPolarHBondContact CD1-NE2 3.44Å; Y24-H48 HydrophobicContact CD2-CB 4.12Å; Y24-H48 AromaticContact CD2-CD2 3.53Å; Y24-H48 AromaticContact CD2-CE1 3.84Å; Y24-H48 AromaticContact CD2-CG 3.48Å; Y24-H48 VanDerWaalsContact CD2-CG 3.48Å; Y24-H48 AromaticContact CD2-ND1 3.67Å; Y24-H48 AromaticContact CD2-NE2 3.77Å; Y24-H48 AromaticContact CE1-CD2 3.89Å; Y24-H48 AromaticContact CE1-CE1 3.46Å; Y24-H48 VanDerWaalsContact CE1-CE1 3.46Å; Y24-H48 WeakPolarHBondContact CE1-CE1 3.28Å; Y24-H48 AromaticContact CE1-NE2 3.17Å; Y24-H48 WeakPolarHBondContact CE1-NE2 3.32Å; Y24-H48 AromaticContact CE2-CD2 3.91Å; Y24-H48 AromaticContact CE2-CE1 3.38Å; Y24-H48 WeakPolarHBondContact CE2-CE1 3.43Å; Y24-H48 AromaticContact CE2-CG 3.73Å; Y24-H48 AromaticContact CE2-ND1 3.38Å; Y24-H48 WeakPolarHBondContact CE2-ND1 3.46Å; Y24-H48 AromaticContact CE2-NE2 3.7Å; Y24-H48 AromaticContact CG-CD2 3.36Å; Y24-H48 AromaticContact CG-CG 3.82Å; Y24-H48 AromaticContact CG-NE2 3.59Å; Y24-H48 AromaticContact CZ-CE1 3.15Å; Y24-H48 AromaticContact CZ-ND1 3.69Å; Y24-H48 AromaticContact CZ-NE2 3.4Å; Y24-H48 PolarHBondContact OH-CE1 3.32Å; Y24-H71 PolarHBondContact N-O 3.07Å; Y24-H71 PolarHBondContact O-CD2 2.8Å; Y24-H71 VanDerWaalsContact O-CD2 3.29Å; Y24-H71 PolarHBondContact O-N 3.04Å; Y24-C73 HydrophobicContact CD2-CB 4.05Å; Y24-C73 HydrophobicContact CE2-CB 3.63Å
25A97.8Very high94.2Very high1 Ų155.3 Ų55.31%0.00832%0.323CS..EExtended strand (participates in β ladder)trans-84.7115.817800000109.9T8 K9 Y11 L29 F69 L70T8-A25 WeakPolarHBondContact CA-O 3.27Å; K9-A25 PolarHBondContact N-O 2.82Å; K9-A25 PolarHBondContact O-N 2.68Å; Y11-A25 HydrophobicContact CD2-CB 4.08Å; Y11-A25 HydrophobicContact CE2-CB 3.7Å; A25-L29 HydrophobicContact CB-CD1 3.67Å; A25-L29 HydrophobicContact CB-CG 4.3Å; A25-F69 CarbonylContact C-O 3.58Å; A25-F69 WeakPolarHBondContact CA-O 3.49Å; A25-L70 HydrophobicContact CB-CD2 3.92Å
26Q96.4Very high94.3Very high4 Ų455.7 Ų55.72%0.01933%0.326CS..EExtended strand (participates in β ladder)trans-104.1108.1173.6-169.1-179.916.100109.3P6 T8 N56 F69 H71P6-Q26 HydrophobicContact CG-CG 4.41Å; T8-Q26 HydrophobicContact CG2-CB 4.1Å; T8-Q26 HydrophobicContact CG2-CG 4.35Å; Q26-N56 VanDerWaalsContact NE2-CG 3.32Å; Q26-N56 PolarHBondContact NE2-ND2 3.26Å; Q26-N56 PolarHBondContact NE2-OD1 3.48Å; Q26-F69 HydrophobicContact CB-CB 4.25Å; Q26-F69 PolarHBondContact N-O 2.6Å; Q26-F69 PolarHBondContact O-N 3.42Å; Q26-H71 PolarHBondContact OE1-NE2 3.1Å
27G94.2Very high94.5Very high46 Ų4651.3 Ų51.347%0.47430%0.296SS..SBendtrans119.8171.4-171.800000111.9
28N92.4Very high94.8Very high91 Ų9150.3 Ų50.349%0.48729%0.289SS..  trans-91.7106.4-178.4-174.41.4000111.2D30 D31 I68N28-D30 PolarHBondContact O-N 2.67Å; N28-D30 WeakPolarHBondContact OD1-CB 3.05Å; N28-D30 PolarHBondContact OD1-N 2.75Å; N28-D31 HydrophobicContact CB-CB 4.36Å; N28-D31 CarbonylContact O-C 3.59Å; N28-D31 PolarHBondContact O-N 2.72Å; N28-D31 VanDerWaalsContact O-N 3.16Å; N28-I68 WeakPolarHBondContact O-CD1 3.26Å
29L92.7Very high95Very high24 Ų2450.1 Ų50.113%0.12629%0.288CS..G310 helixtrans-65.7-22.5177.6-77.3168.2000114Y11 A25 D31 M37 I68 L70 F107Y11-L29 HydrophobicContact CE2-CD1 3.74Å; Y11-L29 WeakPolarHBondContact OH-CD1 3.39Å; A25-L29 HydrophobicContact CB-CD1 3.67Å; A25-L29 HydrophobicContact CB-CG 4.3Å; L29-D31 VanDerWaalsContact C-N 3.3Å; L29-M37 HydrophobicContact CD2-CE 3.89Å; L29-I68 HydrophobicContact CD2-CG2 3.84Å; L29-I68 HydrophobicContact CG-CG2 4.27Å; L29-L70 HydrophobicContact CD1-CD2 4.39Å; L29-L70 HydrophobicContact CD2-CD2 4.21Å; L29-F107 HydrophobicContact CD1-CD1 3.94Å; L29-F107 HydrophobicContact CD1-CE1 3.64Å; L29-F107 HydrophobicContact CD1-CZ 4.36Å
30D90.9Very high95.2Very high151 Ų15148.5 Ų48.581%0.80727%0.271SS*.G310 helixtrans-75.3-22.7176.5-57.5-36.8000111.6N28N28-D30 PolarHBondContact O-N 2.67Å; N28-D30 WeakPolarHBondContact OD1-CB 3.05Å; N28-D30 PolarHBondContact OD1-N 2.75Å
31D89.7Confident95.4Very high84 Ų8444.8 Ų44.845%0.44925%0.249SC..G310 helixtrans-110.855.7176-176.730.7000111.4N28 L29 Q33 K35N28-D31 HydrophobicContact CB-CB 4.36Å; N28-D31 CarbonylContact O-C 3.59Å; N28-D31 PolarHBondContact O-N 2.72Å; N28-D31 VanDerWaalsContact O-N 3.16Å; L29-D31 VanDerWaalsContact C-N 3.3Å; D31-Q33 VanDerWaalsContact C-N 3.34Å; D31-K35 VanDerWaalsContact O-CG 3.24Å; D31-K35 WeakPolarHBondContact O-CG 3.47Å
32R90.9Very high95.5Very high109 Ų10944.8 Ų44.841%0.41125%0.249SC..  trans-82-8.318067.4-175.3-175.4167.24114.4G34 K35 M37 I68 F107 N108R32-G34 PolarHBondContact O-N 2.68Å; R32-K35 PolarHBondContact O-N 2.71Å; R32-M37 HydrophobicContact CB-SD 4.46Å; R32-I68 HydrophobicContact CB-CD1 3.87Å; R32-F107 PolarHBondContact NH1-O 3.22Å; R32-N108 PolarHBondContact NH1-O 3.3Å; R32-N108 VanDerWaalsContact NH1-O 3.11Å
33Q91.4Very high95.4Very high180 Ų18042.7 Ų42.784%0.84124%0.24SC*.THydrogen-bonded Turntrans-67.5125-175.2-172.3172.14.100111D31 K35D31-Q33 VanDerWaalsContact C-N 3.34Å; Q33-K35 PolarHBondContact O-N 3.41Å; Q33-K35 VanDerWaalsContact O-N 3.16Å
34G90.9Very high95.1Very high81 Ų8142.9 Ų42.984%0.83524%0.241SC*.THydrogen-bonded Turntrans70.71.9-178.500000114.9R32R32-G34 PolarHBondContact O-N 2.68Å
35K95.3Very high94.8Very high68 Ų6842.4 Ų42.430%0.29624%0.241SC..PPolyproline II helixtrans-83.2146.3172-58.9-63.4-173.3-177.60110.4D31 R32 Q33 N65 R66 I68D31-K35 VanDerWaalsContact O-CG 3.24Å; D31-K35 WeakPolarHBondContact O-CG 3.47Å; R32-K35 PolarHBondContact O-N 2.71Å; Q33-K35 PolarHBondContact O-N 3.41Å; Q33-K35 VanDerWaalsContact O-N 3.16Å; K35-N65 PolarHBondContact NZ-O 3.05Å; K35-R66 WeakPolarHBondContact CA-O 3.17Å; K35-I68 HydrophobicContact CB-CD1 4.15Å; K35-I68 HydrophobicContact CB-CG1 4.2Å; K35-I68 HydrophobicContact CG-CD1 4.18Å; K35-I68 HydrophobicContact CG-CG1 4.31Å
36T97.4Very high94.5Very high15 Ų1543.4 Ų43.49%0.09225%0.25CC..EExtended strand (participates in β ladder)trans-84.9126.7169.3-57.80000109.4F38 R66 S67 I68 V113 V291 L292T36-F38 HydrophobicContact CG2-CD2 4.13Å; T36-F38 HydrophobicContact CG2-CE2 3.61Å; T36-F38 HydrophobicContact CG2-CZ 4.26Å; T36-R66 PolarHBondContact N-O 3.44Å; T36-S67 CarbonylContact O-C 3.5Å; T36-S67 WeakPolarHBondContact O-CA 3.37Å; T36-S67 VanDerWaalsContact O-CB 3.24Å; T36-S67 WeakPolarHBondContact O-CB 3.08Å; T36-I68 PolarHBondContact O-N 3.47Å; T36-V113 HydrophobicContact CG2-CG2 4.03Å; T36-V291 HydrophobicContact CG2-CB 3.94Å; T36-V291 HydrophobicContact CG2-CG1 4.37Å; T36-V291 HydrophobicContact CG2-CG2 3.95Å; T36-L292 HydrophobicContact CG2-CD2 4.48Å; T36-L292 HydrophobicContact CG2-CG 4.36Å; T36-L292 VanDerWaalsContact OG1-CD2 3.26Å; T36-L292 WeakPolarHBondContact OG1-CD2 3.41Å
37M98Very high94.5Very high17 Ų1743.7 Ų43.78%0.08425%0.251CS..EExtended strand (participates in β ladder)trans-86.7129.8177.1-58.9-52.3-66.300109.7L29 R32 I68 I109 V112 V113L29-M37 HydrophobicContact CD2-CE 3.89Å; R32-M37 HydrophobicContact CB-SD 4.46Å; M37-I68 HydrophobicContact CE-CB 3.73Å; M37-I68 HydrophobicContact CE-CD1 4.28Å; M37-I68 HydrophobicContact CE-CG2 3.78Å; M37-I68 HydrophobicContact SD-CB 3.8Å; M37-I68 HydrophobicContact SD-CD1 3.91Å; M37-I68 HydrophobicContact SD-CG1 4.3Å; M37-I68 HydrophobicContact SD-CG2 4.5Å; M37-I109 HydrophobicContact CB-CG2 4.2Å; M37-I109 HydrophobicContact CE-CD1 3.51Å; M37-I109 HydrophobicContact CE-CG1 4.29Å; M37-I109 HydrophobicContact CG-CG2 4.1Å; M37-V112 HydrophobicContact CB-CB 4.32Å; M37-V112 HydrophobicContact CB-CG1 3.71Å; M37-V112 CarbonylContact O-C 3.6Å; M37-V112 VanDerWaalsContact O-CA 3.27Å; M37-V112 WeakPolarHBondContact O-CA 3.39Å; M37-V112 WeakPolarHBondContact O-CB 3.33Å; M37-V113 PolarHBondContact O-N 3.19Å
38F98.7Very high94.5Very high0 Ų041.8 Ų41.80%023%0.23CC..EExtended strand (participates in β ladder)trans-112138.9170.9-75.6-102.1000109.5T36 V63 S67 I68 F69 L70 V113 L282 L292T36-F38 HydrophobicContact CG2-CD2 4.13Å; T36-F38 HydrophobicContact CG2-CE2 3.61Å; T36-F38 HydrophobicContact CG2-CZ 4.26Å; F38-V63 HydrophobicContact CE2-CG1 4.39Å; F38-V63 HydrophobicContact CZ-CG1 4.36Å; F38-S67 WeakPolarHBondContact CE2-OG 3.27Å; F38-I68 PolarHBondContact N-O 3.01Å; F38-F69 HydrophobicContact CB-CB 4.4Å; F38-F69 HydrophobicContact CB-CD1 3.32Å; F38-F69 HydrophobicContact CB-CE1 3.63Å; F38-F69 HydrophobicContact CB-CG 3.93Å; F38-F69 HydrophobicContact CB-CZ 4.45Å; F38-F69 HydrophobicContact CD1-CD1 4.28Å; F38-F69 AromaticContact CD1-CE1 3.73Å; F38-F69 HydrophobicContact CD1-CE1 3.73Å; F38-F69 HydrophobicContact CD1-CZ 4.43Å; F38-F69 HydrophobicContact CD2-CD1 4.24Å; F38-F69 AromaticContact CD2-CE1 3.79Å; F38-F69 HydrophobicContact CD2-CE1 3.79Å; F38-F69 HydrophobicContact CD2-CE2 4.36Å; F38-F69 AromaticContact CD2-CZ 3.85Å; F38-F69 HydrophobicContact CD2-CZ 3.85Å; F38-F69 HydrophobicContact CE1-CE1 4.32Å; F38-F69 HydrophobicContact CE2-CE1 4.37Å; F38-F69 HydrophobicContact CE2-CZ 4.17Å; F38-F69 AromaticContact CG-CD1 3.72Å; F38-F69 HydrophobicContact CG-CD1 3.72Å; F38-F69 AromaticContact CG-CE1 3.43Å; F38-F69 HydrophobicContact CG-CE1 3.43Å; F38-F69 VanDerWaalsContact CG-CE1 3.43Å; F38-F69 HydrophobicContact CG-CG 4.47Å; F38-F69 AromaticContact CG-CZ 4Å; F38-F69 HydrophobicContact CG-CZ 4Å; F38-L70 PolarHBondContact O-N 3.47Å; F38-V113 VanDerWaalsContact CA-O 3.32Å; F38-V113 WeakPolarHBondContact CA-O 3.24Å; F38-V113 HydrophobicContact CD1-CB 3.69Å; F38-V113 HydrophobicContact CD1-CG1 3.86Å; F38-V113 HydrophobicContact CE1-CB 3.61Å; F38-V113 HydrophobicContact CE1-CG1 3.53Å; F38-V113 HydrophobicContact CE1-CG2 4.26Å; F38-V113 HydrophobicContact CG-CB 4.27Å; F38-V113 HydrophobicContact CZ-CB 4.13Å; F38-V113 HydrophobicContact CZ-CG1 4.32Å; F38-V113 HydrophobicContact CZ-CG2 4.3Å; F38-L282 HydrophobicContact CE1-CD1 4.37Å; F38-L282 HydrophobicContact CE1-CD2 4.38Å; F38-L282 HydrophobicContact CZ-CD2 4.23Å; F38-L292 HydrophobicContact CE2-CD1 4.16Å; F38-L292 HydrophobicContact CZ-CD1 3.95Å
39L98.8Very high94.7Very high0 Ų039.5 Ų39.50%022%0.217CC..EExtended strand (participates in β ladder)trans-116.7129.5169.3-178.165.3000107.9L70 L100 V103 L104 V112 V113 G114 L115 M124 F127L39-L70 WeakPolarHBondContact CA-O 3.46Å; L39-L70 HydrophobicContact CD1-CB 3.89Å; L39-L100 HydrophobicContact CD1-CD2 4.19Å; L39-L100 HydrophobicContact CD2-CB 3.74Å; L39-L100 HydrophobicContact CD2-CD1 4.35Å; L39-L100 HydrophobicContact CD2-CD2 3.75Å; L39-L100 HydrophobicContact CD2-CG 4.15Å; L39-L100 HydrophobicContact CG-CD2 3.98Å; L39-V103 HydrophobicContact CD1-CG1 4.05Å; L39-L104 HydrophobicContact CB-CD2 4.49Å; L39-L104 HydrophobicContact CD1-CD2 4.46Å; L39-L104 HydrophobicContact CD2-CD1 4.2Å; L39-L104 HydrophobicContact CD2-CD2 4Å; L39-L104 HydrophobicContact CD2-CG 3.96Å; L39-V112 HydrophobicContact CB-CB 4.26Å; L39-V112 HydrophobicContact CB-CG2 3.69Å; L39-V112 HydrophobicContact CD2-CG2 4.44Å; L39-V113 PolarHBondContact N-O 2.76Å; L39-G114 WeakPolarHBondContact O-CA 3.33Å; L39-L115 PolarHBondContact O-N 2.92Å; L39-M124 WeakPolarHBondContact O-CE 3.02Å; L39-F127 HydrophobicContact CD2-CE1 4.16Å
40T98.8Very high94.8Very high0 Ų039.7 Ų39.70%022%0.22CC..EExtended strand (participates in β ladder)trans-125.8149.7-173.590.70000113.4L51 F69 L70 H71 L72 L115T40-L51 WeakPolarHBondContact OG1-CD1 3.08Å; T40-F69 HydrophobicContact CG2-CD1 4.12Å; T40-L70 PolarHBondContact N-O 2.97Å; T40-H71 WeakPolarHBondContact OG1-CA 3.34Å; T40-H71 PolarHBondContact OG1-ND1 3.11Å; T40-L72 VanDerWaalsContact O-CB 3.32Å; T40-L72 WeakPolarHBondContact O-CB 3.38Å; T40-L72 PolarHBondContact O-N 3.34Å; T40-L115 CarbonylContact C-O 3.59Å; T40-L115 WeakPolarHBondContact CA-O 3.45Å; T40-L115 WeakPolarHBondContact CB-O 3.2Å; T40-L115 HydrophobicContact CG2-CB 4.16Å; T40-L115 HydrophobicContact CG2-CD2 4.36Å
41C98.6Very high95.1Very high0 Ų032.5 Ų32.50%018%0.182CC..EExtended strand (participates in β ladder)trans-138.9129.7176.3-168.60000110.1L115 G116 E117 G120 M124C41-L115 PolarHBondContact N-O 2.8Å; C41-L115 VanDerWaalsContact N-O 3.1Å; C41-G116 WeakPolarHBondContact O-CA 3.29Å; C41-E117 PolarHBondContact O-N 3.12Å; C41-G120 VanDerWaalsContact SG-CA 3.52Å; C41-M124 HydrophobicContact CB-CE 4.01Å
42H97.9Very high95.4Very high0 Ų028.5 Ų28.50%016%0.16CC..PPolyproline II helixtrans-89.4165.8-172.266.281.1000113.1A46 N47 H48 L51 L72 V74 G120 Y211H42-A46 PolarHBondContact CE1-O 3.47Å; H42-A46 VanDerWaalsContact CE1-O 3.3Å; H42-A46 PolarHBondContact ND1-O 2.66Å; H42-N47 WeakPolarHBondContact CB-O 3.29Å; H42-N47 VanDerWaalsContact CG-C 3.44Å; H42-N47 VanDerWaalsContact CG-CA 3.44Å; H42-N47 WeakPolarHBondContact ND1-CA 3.39Å; H42-H48 PolarHBondContact CD2-N 3.46Å; H42-L51 HydrophobicContact CB-CD1 4.26Å; H42-L72 PolarHBondContact CD2-O 3.38Å; H42-L72 VanDerWaalsContact CD2-O 3.28Å; H42-V74 PolarHBondContact NE2-N 3.32Å; H42-G120 VanDerWaalsContact O-CA 3.29Å; H42-G120 WeakPolarHBondContact O-CA 3.49Å; H42-G120 PolarHBondContact O-N 3.16Å; H42-Y211 PolarHBondContact O-OH 3.14Å
43D96Very high95.7Very high6 Ų627.5 Ų27.53%0.03216%0.161CC..PPolyproline II helixtrans-82.1170.3177.4-157.95.5000113.7A46 E117 G118 A119 H179D43-A46 CarbonylContact O-C 3.23Å; D43-A46 PolarHBondContact O-N 3.39Å; D43-A46 VanDerWaalsContact O-O 3.14Å; D43-E117 WeakPolarHBondContact CA-O 3.38Å; D43-E117 HydrophobicContact CB-CB 4.22Å; D43-E117 HydrophobicContact CB-CG 4.02Å; D43-E117 WeakPolarHBondContact CB-O 3.15Å; D43-E117 PolarHBondContact N-O 3.02Å; D43-G118 WeakPolarHBondContact OD1-CA 3.49Å; D43-A119 PolarHBondContact OD1-N 2.62Å; D43-H179 IonicContact OD2-CE1 2.87Å; D43-H179 PolarHBondContact OD2-CE1 3.05Å; D43-H179 IonicContact OD2-ND1 2.77Å; D43-H179 IonicContact OD2-NE2 2.61Å
44I92.7Very high96Very high5 Ų519.1 Ų19.13%0.02612%0.121CC..THydrogen-bonded Turntrans-69.8137171.4-56.4155.7000109.2A46 A119 Y175 L176 L208 Y211 L212 F215I44-A46 PolarHBondContact O-N 3.29Å; I44-A119 HydrophobicContact CD1-CB 3.65Å; I44-A119 HydrophobicContact CG1-CB 3.59Å; I44-Y175 HydrophobicContact CD1-CE1 4.45Å; I44-L176 HydrophobicContact CG2-CD2 3.86Å; I44-L208 HydrophobicContact CG2-CD1 3.72Å; I44-Y211 HydrophobicContact CB-CD1 4.29Å; I44-Y211 HydrophobicContact CB-CE1 4.42Å; I44-Y211 HydrophobicContact CG1-CD1 3.69Å; I44-Y211 HydrophobicContact CG1-CD2 4.41Å; I44-Y211 HydrophobicContact CG1-CE1 3.73Å; I44-Y211 HydrophobicContact CG1-CE2 4.43Å; I44-Y211 HydrophobicContact CG1-CG 4.05Å; I44-L212 HydrophobicContact CD1-CD1 4.09Å; I44-L212 HydrophobicContact CG2-CB 4.18Å; I44-F215 HydrophobicContact CD1-CB 3.47Å; I44-F215 VanDerWaalsContact CD1-CB 3.47Å; I44-F215 HydrophobicContact CD1-CD1 3.68Å; I44-F215 HydrophobicContact CD1-CD2 4.16Å; I44-F215 HydrophobicContact CD1-CE1 4.44Å; I44-F215 HydrophobicContact CD1-CG 3.52Å
45G90.9Very high96.3Very high8 Ų815.2 Ų15.28%0.0828%0.081CC..THydrogen-bonded Turntrans75.411.4-173.900000112.9L199G45-L199 WeakPolarHBondContact O-CD2 3.42Å
46A92.6Very high96.3Very high22 Ų2213.1 Ų13.118%0.1827%0.073CC..  trans-132.9175.1166.300000108.6H42 D43 I44H42-A46 PolarHBondContact CE1-O 3.47Å; H42-A46 VanDerWaalsContact CE1-O 3.3Å; H42-A46 PolarHBondContact ND1-O 2.66Å; D43-A46 CarbonylContact O-C 3.23Å; D43-A46 PolarHBondContact O-N 3.39Å; D43-A46 VanDerWaalsContact O-O 3.14Å; I44-A46 PolarHBondContact O-N 3.29Å
47N94.8Very high96.3Very high10 Ų1013.6 Ų13.65%0.0538%0.076CC..  trans-136.2-170.2165.366.419.4000109.7H42 M49 S50 Q77 D79 L203H42-N47 WeakPolarHBondContact CB-O 3.29Å; H42-N47 VanDerWaalsContact CG-C 3.44Å; H42-N47 VanDerWaalsContact CG-CA 3.44Å; H42-N47 WeakPolarHBondContact ND1-CA 3.39Å; N47-M49 PolarHBondContact O-N 3.01Å; N47-M49 WeakPolarHBondContact OD1-CB 3.31Å; N47-M49 WeakPolarHBondContact OD1-CG 3.46Å; N47-M49 PolarHBondContact OD1-N 2.78Å; N47-S50 PolarHBondContact O-N 3.26Å; N47-S50 VanDerWaalsContact O-N 3.12Å; N47-S50 PolarHBondContact O-OG 2.88Å; N47-Q77 WeakPolarHBondContact CB-O 3.36Å; N47-Q77 PolarHBondContact ND2-O 3.14Å; N47-D79 PolarHBondContact ND2-OD1 3.42Å; N47-L203 HydrophobicContact CB-CD2 4.28Å
48H95.5Very high96.2Very high6 Ų617.7 Ų17.73%0.02810%0.104CC..THydrogen-bonded Turntrans-49-28.5179.366.3-79.8000113.8Y24 H42 S50 L51 V52 H71 C73Y24-H48 AromaticContact CD1-CD2 3.54Å; Y24-H48 AromaticContact CD1-CE1 3.94Å; Y24-H48 AromaticContact CD1-NE2 3.28Å; Y24-H48 VanDerWaalsContact CD1-NE2 3.28Å; Y24-H48 WeakPolarHBondContact CD1-NE2 3.44Å; Y24-H48 HydrophobicContact CD2-CB 4.12Å; Y24-H48 AromaticContact CD2-CD2 3.53Å; Y24-H48 AromaticContact CD2-CE1 3.84Å; Y24-H48 AromaticContact CD2-CG 3.48Å; Y24-H48 VanDerWaalsContact CD2-CG 3.48Å; Y24-H48 AromaticContact CD2-ND1 3.67Å; Y24-H48 AromaticContact CD2-NE2 3.77Å; Y24-H48 AromaticContact CE1-CD2 3.89Å; Y24-H48 AromaticContact CE1-CE1 3.46Å; Y24-H48 VanDerWaalsContact CE1-CE1 3.46Å; Y24-H48 WeakPolarHBondContact CE1-CE1 3.28Å; Y24-H48 AromaticContact CE1-NE2 3.17Å; Y24-H48 WeakPolarHBondContact CE1-NE2 3.32Å; Y24-H48 AromaticContact CE2-CD2 3.91Å; Y24-H48 AromaticContact CE2-CE1 3.38Å; Y24-H48 WeakPolarHBondContact CE2-CE1 3.43Å; Y24-H48 AromaticContact CE2-CG 3.73Å; Y24-H48 AromaticContact CE2-ND1 3.38Å; Y24-H48 WeakPolarHBondContact CE2-ND1 3.46Å; Y24-H48 AromaticContact CE2-NE2 3.7Å; Y24-H48 AromaticContact CG-CD2 3.36Å; Y24-H48 AromaticContact CG-CG 3.82Å; Y24-H48 AromaticContact CG-NE2 3.59Å; Y24-H48 AromaticContact CZ-CE1 3.15Å; Y24-H48 AromaticContact CZ-ND1 3.69Å; Y24-H48 AromaticContact CZ-NE2 3.4Å; Y24-H48 PolarHBondContact OH-CE1 3.32Å; H42-H48 PolarHBondContact CD2-N 3.46Å; H48-S50 VanDerWaalsContact C-N 3.27Å; H48-S50 PolarHBondContact O-N 3.27Å; H48-L51 PolarHBondContact O-N 3.41Å; H48-V52 WeakPolarHBondContact O-CG2 2.95Å; H48-V52 PolarHBondContact O-N 3.01Å; H48-V52 VanDerWaalsContact O-N 3.08Å; H48-H71 HydrophobicContact CB-CB 3.82Å; H48-C73 HydrophobicContact CB-CB 4.25Å; H48-C73 PolarHBondContact ND1-SG 2.97Å; H48-C73 VanDerWaalsContact ND1-SG 3.45Å
49M95.3Very high96.1Very high43 Ų4319.3 Ų19.321%0.21212%0.115CC..Hα-helixtrans-60.3-33.4-178.6-67.9-62.1-68.700113.3N47 L51 V52 H53N47-M49 PolarHBondContact O-N 3.01Å; N47-M49 WeakPolarHBondContact OD1-CB 3.31Å; N47-M49 WeakPolarHBondContact OD1-CG 3.46Å; N47-M49 PolarHBondContact OD1-N 2.78Å; M49-L51 VanDerWaalsContact C-N 3.28Å; M49-L51 PolarHBondContact O-N 3.15Å; M49-V52 PolarHBondContact O-N 3.21Å; M49-H53 WeakPolarHBondContact O-CB 3.49Å; M49-H53 PolarHBondContact O-CD2 2.99Å; M49-H53 PolarHBondContact O-N 2.92Å
50S94.7Very high95.9Very high28 Ų2819.3 Ų19.320%0.19612%0.115CC..Hα-helixtrans-52.9-47.3175.955.40000112.1N47 H48 F54N47-S50 PolarHBondContact O-N 3.26Å; N47-S50 VanDerWaalsContact O-N 3.12Å; N47-S50 PolarHBondContact O-OG 2.88Å; H48-S50 VanDerWaalsContact C-N 3.27Å; H48-S50 PolarHBondContact O-N 3.27Å; S50-F54 PolarHBondContact O-N 2.81Å; S50-F54 VanDerWaalsContact O-N 3.16Å
51L97.5Very high95.8Very high0 Ų020.6 Ų20.60%013%0.126CC..Hα-helixtrans-78.7-35.2-179.1-68.1159.7000111.7T40 H42 H48 M49 H53 F54 V55 L115 L271T40-L51 WeakPolarHBondContact OG1-CD1 3.08Å; H42-L51 HydrophobicContact CB-CD1 4.26Å; H48-L51 PolarHBondContact O-N 3.41Å; M49-L51 VanDerWaalsContact C-N 3.28Å; M49-L51 PolarHBondContact O-N 3.15Å; L51-H53 VanDerWaalsContact C-N 3.32Å; L51-H53 PolarHBondContact O-N 2.96Å; L51-F54 PolarHBondContact O-N 3.32Å; L51-V55 VanDerWaalsContact O-CG2 3.29Å; L51-V55 WeakPolarHBondContact O-CG2 3.4Å; L51-V55 PolarHBondContact O-N 2.91Å; L51-L115 HydrophobicContact CD2-CD2 4.07Å; L51-L115 HydrophobicContact CD2-CG 4.2Å; L51-L271 HydrophobicContact CD2-CD1 4.19Å; L51-L271 HydrophobicContact CD2-CD2 4.23Å
52V97.2Very high95.5Very high0 Ų025.1 Ų25.10%015%0.147CC..Hα-helixtrans-59.2-44.3171171.70000110.7T8 H48 M49 V55 N56T8-V52 HydrophobicContact CG2-CG1 4.31Å; T8-V52 HydrophobicContact CG2-CG2 4.22Å; H48-V52 WeakPolarHBondContact O-CG2 2.95Å; H48-V52 PolarHBondContact O-N 3.01Å; H48-V52 VanDerWaalsContact O-N 3.08Å; M49-V52 PolarHBondContact O-N 3.21Å; V52-V55 PolarHBondContact O-N 3.48Å; V52-N56 WeakPolarHBondContact CG1-ND2 3.39Å; V52-N56 WeakPolarHBondContact O-CB 3.48Å; V52-N56 PolarHBondContact O-N 2.96Å; V52-N56 PolarHBondContact O-ND2 2.95Å; V52-N56 VanDerWaalsContact O-ND2 3.12Å
53H96.2Very high95.5Very high89 Ų8925.1 Ų25.141%0.41215%0.147SC..Hα-helixtrans-62.2-45.2176.8-70-51.1000111.5Q5 M49 L51 V55 N56 T57Q5-H53 PolarHBondContact NE2-CE1 3.39Å; Q5-H53 PolarHBondContact NE2-ND1 2.82Å; Q5-H53 VanDerWaalsContact NE2-ND1 3.14Å; M49-H53 WeakPolarHBondContact O-CB 3.49Å; M49-H53 PolarHBondContact O-CD2 2.99Å; M49-H53 PolarHBondContact O-N 2.92Å; L51-H53 VanDerWaalsContact C-N 3.32Å; L51-H53 PolarHBondContact O-N 2.96Å; H53-V55 PolarHBondContact O-N 3.05Å; H53-N56 PolarHBondContact O-N 3.25Å; H53-N56 VanDerWaalsContact O-N 3.16Å; H53-T57 PolarHBondContact O-N 2.88Å
54F97.5Very high95.5Very high3 Ų327.5 Ų27.51%0.01316%0.155CC..Hα-helixtrans-58.3-48.4174.8167.9-111.4000112.1S50 L51 N56 T57 M60 L115 L271 P275 L278 L282S50-F54 PolarHBondContact O-N 2.81Å; S50-F54 VanDerWaalsContact O-N 3.16Å; L51-F54 PolarHBondContact O-N 3.32Å; F54-N56 PolarHBondContact O-N 3Å; F54-T57 WeakPolarHBondContact O-CB 3.2Å; F54-T57 VanDerWaalsContact O-CG2 3.29Å; F54-T57 WeakPolarHBondContact O-CG2 3.41Å; F54-T57 PolarHBondContact O-N 3.07Å; F54-T57 PolarHBondContact O-OG1 3.11Å; F54-M60 HydrophobicContact CE1-CE 3.84Å; F54-M60 HydrophobicContact CE1-CG 4.12Å; F54-M60 HydrophobicContact CE1-SD 3.93Å; F54-M60 HydrophobicContact CE2-CG 4.07Å; F54-M60 HydrophobicContact CE2-SD 4.49Å; F54-M60 HydrophobicContact CZ-CE 4.24Å; F54-M60 HydrophobicContact CZ-CG 3.8Å; F54-M60 HydrophobicContact CZ-SD 3.69Å; F54-L115 HydrophobicContact CE1-CD2 4.46Å; F54-L271 HydrophobicContact CB-CD2 3.77Å; F54-L271 HydrophobicContact CD1-CD2 3.89Å; F54-L271 HydrophobicContact CD2-CD2 3.94Å; F54-L271 HydrophobicContact CG-CD2 3.57Å; F54-P275 HydrophobicContact CD2-CB 4.04Å; F54-P275 HydrophobicContact CE2-CB 4.09Å; F54-L278 HydrophobicContact CD2-CD2 4.09Å; F54-L278 HydrophobicContact CE1-CD2 4.11Å; F54-L278 HydrophobicContact CE1-CG 4.49Å; F54-L278 HydrophobicContact CE2-CB 4.15Å; F54-L278 HydrophobicContact CE2-CD2 3.57Å; F54-L278 HydrophobicContact CE2-CG 3.91Å; F54-L278 HydrophobicContact CZ-CB 4.33Å; F54-L278 HydrophobicContact CZ-CD2 3.58Å; F54-L278 HydrophobicContact CZ-CG 3.69Å; F54-L282 HydrophobicContact CE1-CD1 4.27Å
55V97.3Very high95.5Very high0 Ų031.7 Ų31.70%018%0.178CC..Hα-helixtrans-63-28.6178.1173.20000111.8L51 V52 H53 T57 M60 R64 F69L51-V55 VanDerWaalsContact O-CG2 3.29Å; L51-V55 WeakPolarHBondContact O-CG2 3.4Å; L51-V55 PolarHBondContact O-N 2.91Å; V52-V55 PolarHBondContact O-N 3.48Å; H53-V55 PolarHBondContact O-N 3.05Å; V55-T57 VanDerWaalsContact C-N 3.33Å; V55-M60 HydrophobicContact CG2-CE 4.22Å; V55-M60 VanDerWaalsContact O-CB 3.28Å; V55-M60 WeakPolarHBondContact O-CB 3.41Å; V55-R64 HydrophobicContact CG1-CB 4.14Å; V55-R64 HydrophobicContact CG1-CG 3.92Å; V55-R64 PolarHBondContact O-NH1 3.43Å; V55-F69 HydrophobicContact CG1-CD2 3.81Å; V55-F69 HydrophobicContact CG1-CE2 3.68Å; V55-F69 HydrophobicContact CG1-CG 4.34Å; V55-F69 HydrophobicContact CG1-CZ 4.09Å; V55-F69 HydrophobicContact CG2-CD1 3.72Å; V55-F69 HydrophobicContact CG2-CD2 4.3Å; V55-F69 HydrophobicContact CG2-CE1 3.61Å; V55-F69 HydrophobicContact CG2-CE2 4.2Å; V55-F69 HydrophobicContact CG2-CG 4.09Å; V55-F69 HydrophobicContact CG2-CZ 3.86Å
56N96.7Very high95.7Very high23 Ų2336.6 Ų36.612%0.12319%0.194CC..THydrogen-bonded Turntrans-81.1-5.4175.9-76.8-35.2000114.6P6 Q26 V52 H53 F54P6-N56 WeakPolarHBondContact CD-OD1 3.4Å; P6-N56 VanDerWaalsContact CG-OD1 3.31Å; P6-N56 WeakPolarHBondContact CG-OD1 3.31Å; Q26-N56 VanDerWaalsContact NE2-CG 3.32Å; Q26-N56 PolarHBondContact NE2-ND2 3.26Å; Q26-N56 PolarHBondContact NE2-OD1 3.48Å; V52-N56 WeakPolarHBondContact CG1-ND2 3.39Å; V52-N56 WeakPolarHBondContact O-CB 3.48Å; V52-N56 PolarHBondContact O-N 2.96Å; V52-N56 PolarHBondContact O-ND2 2.95Å; V52-N56 VanDerWaalsContact O-ND2 3.12Å; H53-N56 PolarHBondContact O-N 3.25Å; H53-N56 VanDerWaalsContact O-N 3.16Å; F54-N56 PolarHBondContact O-N 3Å
57T96.2Very high95.9Very high25 Ų2535.8 Ų35.815%0.15319%0.187CC..SBendtrans-61.5152.2174.864.60000111.5H53 F54 V55 S59 M60 R64 P275H53-T57 PolarHBondContact O-N 2.88Å; F54-T57 WeakPolarHBondContact O-CB 3.2Å; F54-T57 VanDerWaalsContact O-CG2 3.29Å; F54-T57 WeakPolarHBondContact O-CG2 3.41Å; F54-T57 PolarHBondContact O-N 3.07Å; F54-T57 PolarHBondContact O-OG1 3.11Å; V55-T57 VanDerWaalsContact C-N 3.33Å; T57-S59 PolarHBondContact O-N 2.84Å; T57-S59 PolarHBondContact OG1-OG 3.22Å; T57-M60 PolarHBondContact O-N 3.19Å; T57-M60 VanDerWaalsContact O-N 3.15Å; T57-R64 PolarHBondContact O-NH1 2.81Å; T57-P275 HydrophobicContact CG2-CB 3.86Å; T57-P275 HydrophobicContact CG2-CG 4.22Å
58P96.1Very high96.1Very high104 Ų10435.4 Ų35.468%0.67519%0.185SC*.G310 helixtrans-57-37177.4-27.435.8000113.1M60 A61P58-M60 PolarHBondContact O-N 3.13Å; P58-A61 VanDerWaalsContact O-CB 3.29Å; P58-A61 WeakPolarHBondContact O-CB 3.4Å; P58-A61 PolarHBondContact O-N 3.33Å; P58-A61 VanDerWaalsContact O-N 3.16Å
59S95.6Very high96.2Very high33 Ų3335.2 Ų35.223%0.23118%0.184CC..G310 helixtrans-59.8-34.1179.473.30000113.1T57 A61 T279T57-S59 PolarHBondContact O-N 2.84Å; T57-S59 PolarHBondContact OG1-OG 3.22Å; S59-A61 VanDerWaalsContact C-N 3.33Å; S59-A61 PolarHBondContact O-N 2.78Å; S59-T279 VanDerWaalsContact O-CG2 3.28Å; S59-T279 WeakPolarHBondContact O-CG2 3.16Å; S59-T279 PolarHBondContact OG-OG1 3.43Å
60M96.3Very high96.4Very high0 Ų033.1 Ų33.10%017%0.174CC..G310 helixtrans-83.6-0.7-178.6-78.1-66.6-75.400113.9F54 V55 T57 P58 E62 V63 R64 F69 T279 L282F54-M60 HydrophobicContact CE1-CE 3.84Å; F54-M60 HydrophobicContact CE1-CG 4.12Å; F54-M60 HydrophobicContact CE1-SD 3.93Å; F54-M60 HydrophobicContact CE2-CG 4.07Å; F54-M60 HydrophobicContact CE2-SD 4.49Å; F54-M60 HydrophobicContact CZ-CE 4.24Å; F54-M60 HydrophobicContact CZ-CG 3.8Å; F54-M60 HydrophobicContact CZ-SD 3.69Å; V55-M60 HydrophobicContact CG2-CE 4.22Å; V55-M60 VanDerWaalsContact O-CB 3.28Å; V55-M60 WeakPolarHBondContact O-CB 3.41Å; T57-M60 PolarHBondContact O-N 3.19Å; T57-M60 VanDerWaalsContact O-N 3.15Å; P58-M60 PolarHBondContact O-N 3.13Å; M60-E62 PolarHBondContact O-N 3.45Å; M60-V63 HydrophobicContact CE-CB 3.91Å; M60-V63 HydrophobicContact CE-CG1 3.66Å; M60-V63 PolarHBondContact O-N 3.44Å; M60-V63 VanDerWaalsContact O-N 3.09Å; M60-V63 HydrophobicContact SD-CB 4.09Å; M60-V63 HydrophobicContact SD-CG1 4.36Å; M60-V63 HydrophobicContact SD-CG2 4.14Å; M60-R64 VanDerWaalsContact O-CB 3.32Å; M60-R64 WeakPolarHBondContact O-CB 3.48Å; M60-R64 PolarHBondContact O-N 2.84Å; M60-F69 HydrophobicContact CE-CE1 4.34Å; M60-F69 HydrophobicContact CE-CZ 3.84Å; M60-T279 HydrophobicContact CG-CG2 4.13Å; M60-T279 VanDerWaalsContact CG-OG1 3.29Å; M60-T279 WeakPolarHBondContact CG-OG1 3.41Å; M60-T279 HydrophobicContact SD-CG2 3.54Å; M60-T279 VanDerWaalsContact SD-CG2 3.54Å; M60-T279 PolarHBondContact SD-OG1 3.45Å; M60-T279 VanDerWaalsContact SD-OG1 3.34Å; M60-L282 HydrophobicContact CE-CD1 4.14Å; M60-L282 HydrophobicContact SD-CD1 4.43Å
61A95.1Very high96.5Very high27 Ų2731.8 Ų31.822%0.22316%0.164CC..Hα-helixtrans-54.8-46.9-17200000113.8P58 S59 R64 N65P58-A61 VanDerWaalsContact O-CB 3.29Å; P58-A61 WeakPolarHBondContact O-CB 3.4Å; P58-A61 PolarHBondContact O-N 3.33Å; P58-A61 VanDerWaalsContact O-N 3.16Å; S59-A61 VanDerWaalsContact C-N 3.33Å; S59-A61 PolarHBondContact O-N 2.78Å; A61-R64 PolarHBondContact O-N 3.13Å; A61-N65 WeakPolarHBondContact O-CB 3.27Å; A61-N65 PolarHBondContact O-N 3.15Å; A61-N65 PolarHBondContact O-ND2 3.11Å; A61-N65 PolarHBondContact O-OD1 3.48Å
62E94.2Very high96.6Very high95 Ų9531.8 Ų31.844%0.44416%0.164SC..Hα-helixtrans-65.1-40.3178-75.9-61.5132.100112.7M60 R66 I295M60-E62 PolarHBondContact O-N 3.45Å; E62-R66 PolarHBondContact O-N 3.26Å; E62-R66 IonicContact OE2-NE 3.88Å; E62-I295 HydrophobicContact CB-CD1 4.3Å; E62-I295 HydrophobicContact CB-CG1 4.47Å; E62-I295 HydrophobicContact CB-CG2 4Å
63V96.8Very high96.6Very high0 Ų031.9 Ų31.90%017%0.165CC..Hα-helixtrans-64.5-49.7177.3179.20000109.5F38 M60 N65 R66 S67 F69 L282 I283 L292 I295F38-V63 HydrophobicContact CE2-CG1 4.39Å; F38-V63 HydrophobicContact CZ-CG1 4.36Å; M60-V63 HydrophobicContact CE-CB 3.91Å; M60-V63 HydrophobicContact CE-CG1 3.66Å; M60-V63 PolarHBondContact O-N 3.44Å; M60-V63 VanDerWaalsContact O-N 3.09Å; M60-V63 HydrophobicContact SD-CB 4.09Å; M60-V63 HydrophobicContact SD-CG1 4.36Å; M60-V63 HydrophobicContact SD-CG2 4.14Å; V63-N65 VanDerWaalsContact C-N 3.33Å; V63-N65 PolarHBondContact O-N 2.91Å; V63-R66 CarbonylContact O-C 3.57Å; V63-R66 PolarHBondContact O-N 3.36Å; V63-R66 VanDerWaalsContact O-N 3.1Å; V63-S67 WeakPolarHBondContact O-CB 3.37Å; V63-S67 PolarHBondContact O-N 3.33Å; V63-S67 VanDerWaalsContact O-N 3.08Å; V63-S67 PolarHBondContact O-OG 3.17Å; V63-F69 HydrophobicContact CG1-CZ 4Å; V63-L282 HydrophobicContact CG1-CD2 3.96Å; V63-L282 HydrophobicContact CG2-CD2 4.17Å; V63-I283 HydrophobicContact CG2-CD1 3.92Å; V63-I283 HydrophobicContact CG2-CG1 3.57Å; V63-L292 HydrophobicContact CG1-CD1 3.85Å; V63-L292 HydrophobicContact CG2-CD1 4.46Å; V63-I295 HydrophobicContact CB-CD1 4.31Å; V63-I295 HydrophobicContact CG2-CD1 3.89Å
64R95.3Very high96.7Very high56 Ų5627.7 Ų27.721%0.21115%0.146CC..Hα-helixtrans-57-43.7178.1-174.8177.362.8-119.26.1111.9V55 T57 M60 A61 R66 S67V55-R64 HydrophobicContact CG1-CB 4.14Å; V55-R64 HydrophobicContact CG1-CG 3.92Å; V55-R64 PolarHBondContact O-NH1 3.43Å; T57-R64 PolarHBondContact O-NH1 2.81Å; M60-R64 VanDerWaalsContact O-CB 3.32Å; M60-R64 WeakPolarHBondContact O-CB 3.48Å; M60-R64 PolarHBondContact O-N 2.84Å; A61-R64 PolarHBondContact O-N 3.13Å; R64-R66 PolarHBondContact O-N 3.16Å; R64-S67 PolarHBondContact O-N 3.47Å; R64-S67 VanDerWaalsContact O-O 3.08Å
65N93.6Very high96.7Very high93 Ų9327.9 Ų27.950%0.49715%0.148SC..Hα-helixtrans-65.9-22.8179.7-70.8-15.8000113.5K35 A61 V63K35-N65 PolarHBondContact NZ-O 3.05Å; A61-N65 WeakPolarHBondContact O-CB 3.27Å; A61-N65 PolarHBondContact O-N 3.15Å; A61-N65 PolarHBondContact O-ND2 3.11Å; A61-N65 PolarHBondContact O-OD1 3.48Å; V63-N65 VanDerWaalsContact C-N 3.33Å; V63-N65 PolarHBondContact O-N 2.91Å
66R95.7Very high96.6Very high112 Ų11228.2 Ų28.242%0.42315%0.151SC..THydrogen-bonded Turntrans-109.89.1-177.5-65.5176.4-178.3-1012.7113.5K35 T36 E62 V63 R64 L292 I295K35-R66 WeakPolarHBondContact CA-O 3.17Å; T36-R66 PolarHBondContact N-O 3.44Å; E62-R66 PolarHBondContact O-N 3.26Å; E62-R66 IonicContact OE2-NE 3.88Å; V63-R66 CarbonylContact O-C 3.57Å; V63-R66 PolarHBondContact O-N 3.36Å; V63-R66 VanDerWaalsContact O-N 3.1Å; R64-R66 PolarHBondContact O-N 3.16Å; R66-L292 HydrophobicContact CB-CD2 4.02Å; R66-I295 HydrophobicContact CB-CD1 4.49Å
67S97.1Very high96.5Very high4 Ų427.1 Ų27.13%0.02815%0.145CC..EExtended strand (participates in β ladder)trans-137.5162.1-173.3-50.10000111.6T36 F38 V63 R64T36-S67 CarbonylContact O-C 3.5Å; T36-S67 WeakPolarHBondContact O-CA 3.37Å; T36-S67 VanDerWaalsContact O-CB 3.24Å; T36-S67 WeakPolarHBondContact O-CB 3.08Å; F38-S67 WeakPolarHBondContact CE2-OG 3.27Å; V63-S67 WeakPolarHBondContact O-CB 3.37Å; V63-S67 PolarHBondContact O-N 3.33Å; V63-S67 VanDerWaalsContact O-N 3.08Å; V63-S67 PolarHBondContact O-OG 3.17Å; R64-S67 PolarHBondContact O-N 3.47Å; R64-S67 VanDerWaalsContact O-O 3.08Å
68I97.3Very high96.5Very high3 Ų327.3 Ų27.32%0.01514%0.144CC..EExtended strand (participates in β ladder)trans-125.6129167.1-60165.4000106.5N28 L29 R32 K35 T36 M37 F38N28-I68 WeakPolarHBondContact O-CD1 3.26Å; L29-I68 HydrophobicContact CD2-CG2 3.84Å; L29-I68 HydrophobicContact CG-CG2 4.27Å; R32-I68 HydrophobicContact CB-CD1 3.87Å; K35-I68 HydrophobicContact CB-CD1 4.15Å; K35-I68 HydrophobicContact CB-CG1 4.2Å; K35-I68 HydrophobicContact CG-CD1 4.18Å; K35-I68 HydrophobicContact CG-CG1 4.31Å; T36-I68 PolarHBondContact O-N 3.47Å; M37-I68 HydrophobicContact CE-CB 3.73Å; M37-I68 HydrophobicContact CE-CD1 4.28Å; M37-I68 HydrophobicContact CE-CG2 3.78Å; M37-I68 HydrophobicContact SD-CB 3.8Å; M37-I68 HydrophobicContact SD-CD1 3.91Å; M37-I68 HydrophobicContact SD-CG1 4.3Å; M37-I68 HydrophobicContact SD-CG2 4.5Å; F38-I68 PolarHBondContact N-O 3.01Å
69F98.4Very high96.4Very high1 Ų125.9 Ų25.90%0.00413%0.131CC..EExtended strand (participates in β ladder)trans-105.1130.6179.7-64-103.4000109.9A25 Q26 F38 T40 V55 M60 V63 H71A25-F69 CarbonylContact C-O 3.58Å; A25-F69 WeakPolarHBondContact CA-O 3.49Å; Q26-F69 HydrophobicContact CB-CB 4.25Å; Q26-F69 PolarHBondContact N-O 2.6Å; Q26-F69 PolarHBondContact O-N 3.42Å; F38-F69 HydrophobicContact CB-CB 4.4Å; F38-F69 HydrophobicContact CB-CD1 3.32Å; F38-F69 HydrophobicContact CB-CE1 3.63Å; F38-F69 HydrophobicContact CB-CG 3.93Å; F38-F69 HydrophobicContact CB-CZ 4.45Å; F38-F69 HydrophobicContact CD1-CD1 4.28Å; F38-F69 AromaticContact CD1-CE1 3.73Å; F38-F69 HydrophobicContact CD1-CE1 3.73Å; F38-F69 HydrophobicContact CD1-CZ 4.43Å; F38-F69 HydrophobicContact CD2-CD1 4.24Å; F38-F69 AromaticContact CD2-CE1 3.79Å; F38-F69 HydrophobicContact CD2-CE1 3.79Å; F38-F69 HydrophobicContact CD2-CE2 4.36Å; F38-F69 AromaticContact CD2-CZ 3.85Å; F38-F69 HydrophobicContact CD2-CZ 3.85Å; F38-F69 HydrophobicContact CE1-CE1 4.32Å; F38-F69 HydrophobicContact CE2-CE1 4.37Å; F38-F69 HydrophobicContact CE2-CZ 4.17Å; F38-F69 AromaticContact CG-CD1 3.72Å; F38-F69 HydrophobicContact CG-CD1 3.72Å; F38-F69 AromaticContact CG-CE1 3.43Å; F38-F69 HydrophobicContact CG-CE1 3.43Å; F38-F69 VanDerWaalsContact CG-CE1 3.43Å; F38-F69 HydrophobicContact CG-CG 4.47Å; F38-F69 AromaticContact CG-CZ 4Å; F38-F69 HydrophobicContact CG-CZ 4Å; T40-F69 HydrophobicContact CG2-CD1 4.12Å; V55-F69 HydrophobicContact CG1-CD2 3.81Å; V55-F69 HydrophobicContact CG1-CE2 3.68Å; V55-F69 HydrophobicContact CG1-CG 4.34Å; V55-F69 HydrophobicContact CG1-CZ 4.09Å; V55-F69 HydrophobicContact CG2-CD1 3.72Å; V55-F69 HydrophobicContact CG2-CD2 4.3Å; V55-F69 HydrophobicContact CG2-CE1 3.61Å; V55-F69 HydrophobicContact CG2-CE2 4.2Å; V55-F69 HydrophobicContact CG2-CG 4.09Å; V55-F69 HydrophobicContact CG2-CZ 3.86Å; M60-F69 HydrophobicContact CE-CE1 4.34Å; M60-F69 HydrophobicContact CE-CZ 3.84Å; V63-F69 HydrophobicContact CG1-CZ 4Å; F69-H71 VanDerWaalsContact CB-NE2 3.3Å; F69-H71 WeakPolarHBondContact CB-NE2 3.4Å
70L98.5Very high96.3Very high0 Ų027.3 Ų27.30%015%0.151CC..EExtended strand (participates in β ladder)trans-105.9102.1170.4-63.8-177.6000107.7V23 A25 L29 F38 L39 T40 L72 L104 F107 I109V23-L70 HydrophobicContact CG1-CB 3.93Å; V23-L70 HydrophobicContact CG1-CD2 4.13Å; A25-L70 HydrophobicContact CB-CD2 3.92Å; L29-L70 HydrophobicContact CD1-CD2 4.39Å; L29-L70 HydrophobicContact CD2-CD2 4.21Å; F38-L70 PolarHBondContact O-N 3.47Å; L39-L70 WeakPolarHBondContact CA-O 3.46Å; L39-L70 HydrophobicContact CD1-CB 3.89Å; T40-L70 PolarHBondContact N-O 2.97Å; L70-L72 PolarHBondContact O-N 3.32Å; L70-L104 HydrophobicContact CD1-CD2 4.44Å; L70-F107 HydrophobicContact CD1-CD2 3.61Å; L70-F107 HydrophobicContact CD1-CE2 4.02Å; L70-F107 HydrophobicContact CD1-CG 4.31Å; L70-F107 HydrophobicContact CD2-CD2 4.26Å; L70-F107 HydrophobicContact CD2-CE2 3.98Å; L70-F107 HydrophobicContact CD2-CZ 4.27Å; L70-I109 HydrophobicContact CD1-CD1 3.4Å; L70-I109 VanDerWaalsContact CD1-CD1 3.4Å
71H98.6Very high96.2Very high0 Ų027.8 Ų27.80%016%0.155CC..EExtended strand (participates in β ladder)trans-90.8107.3179.5-51.6-77.8000109.7V23 Y24 Q26 T40 H48 F69 C73V23-H71 WeakPolarHBondContact CA-O 3.47Å; Y24-H71 PolarHBondContact N-O 3.07Å; Y24-H71 PolarHBondContact O-CD2 2.8Å; Y24-H71 VanDerWaalsContact O-CD2 3.29Å; Y24-H71 PolarHBondContact O-N 3.04Å; Q26-H71 PolarHBondContact OE1-NE2 3.1Å; T40-H71 WeakPolarHBondContact OG1-CA 3.34Å; T40-H71 PolarHBondContact OG1-ND1 3.11Å; H48-H71 HydrophobicContact CB-CB 3.82Å; F69-H71 VanDerWaalsContact CB-NE2 3.3Å; F69-H71 WeakPolarHBondContact CB-NE2 3.4Å; H71-C73 PolarHBondContact O-N 3.09Å
72L98.5Very high96.3Very high0 Ų033.5 Ų33.50%018%0.182CC..EExtended strand (participates in β ladder)trans-68.1125.2169.9-17876.3000108.5V21 V23 T40 H42 L70 I96 L100 V103V21-L72 HydrophobicContact CB-CD1 3.91Å; V21-L72 HydrophobicContact CG1-CD1 4.49Å; V21-L72 HydrophobicContact CG2-CD1 3.79Å; V23-L72 HydrophobicContact CG2-CD1 4.07Å; T40-L72 VanDerWaalsContact O-CB 3.32Å; T40-L72 WeakPolarHBondContact O-CB 3.38Å; T40-L72 PolarHBondContact O-N 3.34Å; H42-L72 PolarHBondContact CD2-O 3.38Å; H42-L72 VanDerWaalsContact CD2-O 3.28Å; L70-L72 PolarHBondContact O-N 3.32Å; L72-I96 HydrophobicContact CD2-CG2 3.99Å; L72-L100 HydrophobicContact CB-CD2 4.1Å; L72-L100 HydrophobicContact CD2-CD2 3.58Å; L72-L100 HydrophobicContact CD2-CG 4.48Å; L72-L100 HydrophobicContact CG-CD2 4.32Å; L72-V103 HydrophobicContact CD1-CG2 4.13Å
73C98Very high96.3Very high1 Ų133.1 Ų33.11%0.00719%0.186CC..EExtended strand (participates in β ladder)trans-97.4116.5162.7-163.50000108.1K22 Y24 H48 H71 E78K22-C73 HydrophobicContact CB-CB 4.25Å; K22-C73 WeakPolarHBondContact O-CB 3.22Å; K22-C73 PolarHBondContact O-N 3.44Å; Y24-C73 HydrophobicContact CD2-CB 4.05Å; Y24-C73 HydrophobicContact CE2-CB 3.63Å; H48-C73 HydrophobicContact CB-CB 4.25Å; H48-C73 PolarHBondContact ND1-SG 2.97Å; H48-C73 VanDerWaalsContact ND1-SG 3.45Å; H71-C73 PolarHBondContact O-N 3.09Å; C73-E78 PolarHBondContact SG-N 3Å; C73-E78 VanDerWaalsContact SG-N 3.43Å
74V98Very high96.2Very high2 Ų234.8 Ų34.81%0.01220%0.195CC..PPolyproline II helixtrans-59.2143.3177.8176.20000109H42 G76 Q77 F90 I96 Y211H42-V74 PolarHBondContact NE2-N 3.32Å; V74-G76 PolarHBondContact O-N 2.86Å; V74-Q77 HydrophobicContact CB-CB 4.5Å; V74-Q77 HydrophobicContact CB-CG 3.84Å; V74-Q77 HydrophobicContact CG1-CG 4.09Å; V74-Q77 VanDerWaalsContact O-CB 3.25Å; V74-Q77 WeakPolarHBondContact O-CB 3.32Å; V74-Q77 WeakPolarHBondContact O-CG 3.42Å; V74-Q77 PolarHBondContact O-N 3.28Å; V74-F90 HydrophobicContact CG1-CZ 3.74Å; V74-I96 HydrophobicContact CG1-CD1 4.05Å; V74-I96 HydrophobicContact CG2-CG2 4.3Å; V74-Y211 HydrophobicContact CB-CE1 4.42Å; V74-Y211 HydrophobicContact CG1-CD1 4.41Å; V74-Y211 HydrophobicContact CG1-CD2 4.18Å; V74-Y211 HydrophobicContact CG1-CE1 4.48Å; V74-Y211 HydrophobicContact CG1-CE2 4.26Å; V74-Y211 HydrophobicContact CG1-CG 4.27Å; V74-Y211 HydrophobicContact CG2-CE1 4.2Å; V74-Y211 HydrophobicContact CG2-CE2 4.42Å
75A96.8Very high96.2Very high7 Ų735.4 Ų35.46%0.05821%0.206CC..THydrogen-bonded Turntrans-50.7127.8-173.200000112.4Q77 F90A75-Q77 VanDerWaalsContact C-N 3.26Å; A75-Q77 PolarHBondContact O-N 3.47Å; A75-F90 WeakPolarHBondContact O-CE2 3.49Å
76G95.6Very high96Very high6 Ų638 Ų386%0.06223%0.228CC..THydrogen-bonded Turntrans73.69.4179.200000115.2V74 E78 A81 N207V74-G76 PolarHBondContact O-N 2.86Å; G76-E78 WeakPolarHBondContact CA-OE2 3.33Å; G76-E78 PolarHBondContact N-OE2 2.89Å; G76-A81 WeakPolarHBondContact O-CB 3.28Å; G76-N207 WeakPolarHBondContact CA-ND2 3.29Å; G76-N207 WeakPolarHBondContact O-CB 3.48Å; G76-N207 PolarHBondContact O-ND2 3.34Å
77Q96Very high95.9Very high1 Ų139.1 Ų39.11%0.00524%0.243CC..  trans-100.90.3178.3-51.1-57.3-55.600113.4N47 V74 A75 L203 N207 Y211N47-Q77 WeakPolarHBondContact CB-O 3.36Å; N47-Q77 PolarHBondContact ND2-O 3.14Å; V74-Q77 HydrophobicContact CB-CB 4.5Å; V74-Q77 HydrophobicContact CB-CG 3.84Å; V74-Q77 HydrophobicContact CG1-CG 4.09Å; V74-Q77 VanDerWaalsContact O-CB 3.25Å; V74-Q77 WeakPolarHBondContact O-CB 3.32Å; V74-Q77 WeakPolarHBondContact O-CG 3.42Å; V74-Q77 PolarHBondContact O-N 3.28Å; A75-Q77 VanDerWaalsContact C-N 3.26Å; A75-Q77 PolarHBondContact O-N 3.47Å; Q77-L203 VanDerWaalsContact O-CD2 3.22Å; Q77-L203 WeakPolarHBondContact O-CD2 3.43Å; Q77-N207 VanDerWaalsContact NE2-C 3.29Å; Q77-N207 PolarHBondContact NE2-O 2.93Å; Q77-Y211 HydrophobicContact CG-CD1 4.16Å
78E95.3Very high95.8Very high28 Ų2841.7 Ų41.713%0.13125%0.253CS..SBendtrans-67.9156.5174.270-86.5-149.200112.2K22 C73 G76 G80 A81K22-E78 HydrophobicContact CD-CB 4.33Å; K22-E78 HydrophobicContact CD-CG 4.07Å; K22-E78 IonicContact NZ-OE1 2.74Å; K22-E78 PolarHBondContact NZ-OE1 3.33Å; C73-E78 PolarHBondContact SG-N 3Å; C73-E78 VanDerWaalsContact SG-N 3.43Å; G76-E78 WeakPolarHBondContact CA-OE2 3.33Å; G76-E78 PolarHBondContact N-OE2 2.89Å; E78-G80 PolarHBondContact O-N 2.81Å; E78-A81 HydrophobicContact CG-CB 3.88Å; E78-A81 WeakPolarHBondContact O-CB 3.48Å; E78-A81 PolarHBondContact O-N 3.2Å; E78-A81 VanDerWaalsContact O-N 3.14Å
79D93.8Very high95.6Very high74 Ų7449.1 Ų49.140%0.39629%0.288SS..THydrogen-bonded Turntrans-57.3126.8176.4-76-2.7000110.4N47 A81 K202N47-D79 PolarHBondContact ND2-OD1 3.42Å; D79-A81 VanDerWaalsContact C-N 3.29Å; D79-A81 PolarHBondContact O-N 3.44Å; D79-K202 CarbonylContact C-O 3.52Å; D79-K202 WeakPolarHBondContact CA-O 3.29Å
80G93.4Very high95.5Very high64 Ų6450.7 Ų50.766%0.6630%0.295SS*.THydrogen-bonded Turntrans69.720.7178.900000114.6E78 D82 K202E78-G80 PolarHBondContact O-N 2.81Å; G80-D82 PolarHBondContact O-N 3.44Å; G80-K202 PolarHBondContact N-O 3.27Å
81A95Very high95.5Very high10 Ų1050.8 Ų50.88%0.08330%0.295CS..PPolyproline II helixtrans-55.6136.9178.400000112.9G76 E78 D79 N204G76-A81 WeakPolarHBondContact O-CB 3.28Å; E78-A81 HydrophobicContact CG-CB 3.88Å; E78-A81 WeakPolarHBondContact O-CB 3.48Å; E78-A81 PolarHBondContact O-N 3.2Å; E78-A81 VanDerWaalsContact O-N 3.14Å; D79-A81 VanDerWaalsContact C-N 3.29Å; D79-A81 PolarHBondContact O-N 3.44Å; A81-N204 WeakPolarHBondContact O-CB 3.29Å; A81-N204 PolarHBondContact O-ND2 3.48Å; A81-N204 VanDerWaalsContact O-ND2 3.14Å
82D95.7Very high95.4Very high146 Ų14653.1 Ų53.178%0.78131%0.312SS*.PPolyproline II helixtrans-62.1153.2168.3-72.7-40.1000110.9G80 L84 N207G80-D82 PolarHBondContact O-N 3.44Å; D82-L84 PolarHBondContact O-N 2.85Å; D82-N207 PolarHBondContact O-ND2 2.81Å
83T95.4Very high95.3Very high88 Ų8853.1 Ų53.154%0.5431%0.312SS..PPolyproline II helixtrans-64.9126.1173.8-57.70000108.8N204T83-N204 VanDerWaalsContact CA-ND2 3.35Å; T83-N204 WeakPolarHBondContact CA-ND2 3.31Å; T83-N204 PolarHBondContact N-ND2 3.31Å; T83-N204 VanDerWaalsContact N-ND2 3.2Å; T83-N204 PolarHBondContact OG1-ND2 2.94Å
84L94.8Very high95.3Very high34 Ų3455.9 Ų55.918%0.17833%0.326CS..PPolyproline II helixtrans-59.2146.4176.9-71.4166.9000110.6D82 F88 F90 N207 L210D82-L84 PolarHBondContact O-N 2.85Å; L84-F88 HydrophobicContact CB-CB 4.36Å; L84-F88 HydrophobicContact CB-CD1 4.23Å; L84-F88 HydrophobicContact CB-CG 4.37Å; L84-F88 HydrophobicContact CD1-CD1 3.88Å; L84-F88 HydrophobicContact CD1-CE1 3.87Å; L84-F88 HydrophobicContact CD2-CD1 4.26Å; L84-F88 HydrophobicContact CD2-CE1 4.27Å; L84-F88 HydrophobicContact CD2-CG 4.38Å; L84-F88 HydrophobicContact CD2-CZ 4.41Å; L84-F88 HydrophobicContact CG-CD1 4.36Å; L84-F90 HydrophobicContact CD1-CD2 4.01Å; L84-F90 HydrophobicContact CD1-CE2 4.25Å; L84-N207 HydrophobicContact CD1-CB 4.28Å; L84-N207 WeakPolarHBondContact CG-OD1 3.42Å; L84-N207 PolarHBondContact N-OD1 3.12Å; L84-L210 HydrophobicContact CB-CD1 4.48Å; L84-L210 HydrophobicContact CD1-CD1 4.04Å
85P94.9Very high95.3Very high70 Ų7060 Ų6046%0.45534%0.344SS..PPolyproline II helixtrans-54.5144.8179.5-2734.4000112.7D87 F88P85-D87 WeakPolarHBondContact CB-OD1 2.93Å; P85-D87 PolarHBondContact O-N 2.85Å; P85-D87 VanDerWaalsContact O-N 3.12Å; P85-F88 HydrophobicContact CB-CB 4.22Å; P85-F88 WeakPolarHBondContact O-CB 3.12Å; P85-F88 PolarHBondContact O-N 3.32Å
86P90.3Very high95.4Very high146 Ų14659.8 Ų59.895%0.94834%0.342SS*.THydrogen-bonded Turntrans-59.1-25.4-179.6-25.434.4000114.8
87D93Very high95.5Very high137 Ų13759.7 Ų59.773%0.73334%0.341SS*.THydrogen-bonded Turntrans-92.2-2.1177.263.3-37.4000113.4P85 Q89P85-D87 WeakPolarHBondContact CB-OD1 2.93Å; P85-D87 PolarHBondContact O-N 2.85Å; P85-D87 VanDerWaalsContact O-N 3.12Å; D87-Q89 PolarHBondContact O-N 3.29Å
88F93.8Very high95.6Very high58 Ų5864 Ų6425%0.25436%0.361SS..  trans-66.7119.3176.5-176.5-94.4000110.8S18 L84 P85 F90S18-F88 WeakPolarHBondContact O-CZ 3.31Å; L84-F88 HydrophobicContact CB-CB 4.36Å; L84-F88 HydrophobicContact CB-CD1 4.23Å; L84-F88 HydrophobicContact CB-CG 4.37Å; L84-F88 HydrophobicContact CD1-CD1 3.88Å; L84-F88 HydrophobicContact CD1-CE1 3.87Å; L84-F88 HydrophobicContact CD2-CD1 4.26Å; L84-F88 HydrophobicContact CD2-CE1 4.27Å; L84-F88 HydrophobicContact CD2-CG 4.38Å; L84-F88 HydrophobicContact CD2-CZ 4.41Å; L84-F88 HydrophobicContact CG-CD1 4.36Å; P85-F88 HydrophobicContact CB-CB 4.22Å; P85-F88 WeakPolarHBondContact O-CB 3.12Å; P85-F88 PolarHBondContact O-N 3.32Å; F88-F90 HydrophobicContact CE1-CB 4.4Å; F88-F90 HydrophobicContact CE1-CD2 4.07Å; F88-F90 PolarHBondContact O-N 3.25Å
89Q94.5Very high95.7Very high158 Ų15862.8 Ų62.874%0.73836%0.355SS*.  trans-82.6101.8174.9-66.3-172.39.900110.2D87D87-Q89 PolarHBondContact O-N 3.29Å
90F96.1Very high96Very high34 Ų3459.3 Ų59.315%0.14934%0.337CS..PPolyproline II helixtrans-62.9133.3177.2-162-86.7000111.4V74 A75 L84 F88 I96 L210 Y211V74-F90 HydrophobicContact CG1-CZ 3.74Å; A75-F90 WeakPolarHBondContact O-CE2 3.49Å; L84-F90 HydrophobicContact CD1-CD2 4.01Å; L84-F90 HydrophobicContact CD1-CE2 4.25Å; F88-F90 HydrophobicContact CE1-CB 4.4Å; F88-F90 HydrophobicContact CE1-CD2 4.07Å; F88-F90 PolarHBondContact O-N 3.25Å; F90-I96 HydrophobicContact CE1-CD1 4.35Å; F90-L210 HydrophobicContact CB-CB 3.93Å; F90-L210 HydrophobicContact CB-CD1 4.35Å; F90-L210 HydrophobicContact CB-CD2 4.41Å; F90-L210 HydrophobicContact CB-CG 4.47Å; F90-L210 HydrophobicContact CD1-CB 4.24Å; F90-L210 HydrophobicContact CD2-CB 3.53Å; F90-L210 HydrophobicContact CD2-CD1 4.03Å; F90-L210 HydrophobicContact CD2-CG 4.4Å; F90-L210 HydrophobicContact CE2-CB 4.07Å; F90-L210 HydrophobicContact CG-CB 3.62Å; F90-Y211 HydrophobicContact CE1-CD2 4.06Å; F90-Y211 HydrophobicContact CE1-CG 4.45Å; F90-Y211 HydrophobicContact CZ-CD2 4.18Å; F90-Y211 HydrophobicContact CZ-CG 4.2Å
91P97.4Very high96.2Very high2 Ų257 Ų571%0.01331%0.31CS..PPolyproline II helixtrans-65.7146-175.931.1-42.6000112.7S18 K95 I96 S214S18-P91 VanDerWaalsContact OG-CB 3.31Å; S18-P91 WeakPolarHBondContact OG-CB 3.24Å; S18-P91 WeakPolarHBondContact OG-CG 3.45Å; P91-K95 HydrophobicContact CB-CB 3.72Å; P91-I96 HydrophobicContact CB-CG1 3.83Å; P91-I96 HydrophobicContact CG-CD1 4.1Å; P91-I96 HydrophobicContact CG-CG1 3.56Å; P91-S214 WeakPolarHBondContact O-CB 3.46Å; P91-S214 PolarHBondContact O-OG 3.23Å
92S97.1Very high96.3Very high49 Ų4959.6 Ų59.634%0.34332%0.32SS..PPolyproline II helixtrans-68.2162.4163.667.20000110.7D94 K95 I96 S214S92-D94 PolarHBondContact O-N 2.95Å; S92-K95 WeakPolarHBondContact O-CA 3.48Å; S92-K95 WeakPolarHBondContact O-CB 3.47Å; S92-K95 PolarHBondContact O-N 3.42Å; S92-K95 PolarHBondContact OG-N 2.97Å; S92-I96 WeakPolarHBondContact O-CG1 3.4Å; S92-I96 PolarHBondContact O-N 2.85Å; S92-S214 VanDerWaalsContact CA-OG 3.32Å; S92-S214 WeakPolarHBondContact CA-OG 3.45Å
93L97.3Very high96.5Very high0 Ų052.7 Ų52.70%028%0.283CS..Hα-helixtrans-58.9-33176.9-55.6-166.2000113.3K95 I96 A97 N122 V123 Y211 S214 F215 R218L93-K95 VanDerWaalsContact C-N 3.32Å; L93-I96 HydrophobicContact CD2-CD1 4.02Å; L93-I96 PolarHBondContact O-N 2.8Å; L93-A97 WeakPolarHBondContact O-CB 3.43Å; L93-A97 PolarHBondContact O-N 3.25Å; L93-N122 HydrophobicContact CD1-CB 4.14Å; L93-N122 WeakPolarHBondContact CD1-OD1 3.47Å; L93-V123 HydrophobicContact CB-CG2 4Å; L93-V123 HydrophobicContact CD2-CG2 4.02Å; L93-V123 HydrophobicContact CG-CG2 4.41Å; L93-Y211 HydrophobicContact CD2-CE2 3.98Å; L93-S214 PolarHBondContact N-OG 3.38Å; L93-F215 HydrophobicContact CD1-CD2 3.74Å; L93-F215 HydrophobicContact CD1-CE2 4.49Å; L93-R218 HydrophobicContact CD1-CB 3.73Å; L93-R218 HydrophobicContact CG-CB 4.19Å
94D97.3Very high96.6Very high59 Ų5948.5 Ų48.532%0.31626%0.257SS..Hα-helixtrans-63.5-37172.3-60.2-77.1000112.6S92 A97 Q98 R126S92-D94 PolarHBondContact O-N 2.95Å; D94-A97 WeakPolarHBondContact O-CB 3.47Å; D94-A97 PolarHBondContact O-N 2.88Å; D94-Q98 WeakPolarHBondContact O-CG 3.48Å; D94-Q98 PolarHBondContact O-N 3.15Å; D94-R126 WeakPolarHBondContact OD1-CD 3.31Å; D94-R126 IonicContact OD1-CZ 3.57Å; D94-R126 IonicContact OD1-NE 3.74Å; D94-R126 IonicContact OD1-NH1 3.55Å; D94-R126 PolarHBondContact OD1-NH1 2.94Å; D94-R126 IonicContact OD2-CZ 2.75Å; D94-R126 IonicContact OD2-NH1 3.64Å; D94-R126 PolarHBondContact OD2-NH1 2.67Å; D94-R126 VanDerWaalsContact OD2-NH1 3.11Å
95K98Very high96.8Very high90 Ų9051 Ų5139%0.39127%0.271SS..Hα-helixtrans-71.7-40.3175.8-78.4-176.7179.5-173.90111.5P17 P91 S92 L93 A97 Q98 D99P17-K95 HydrophobicContact CB-CB 3.75Å; P17-K95 HydrophobicContact CB-CD 4.43Å; P17-K95 HydrophobicContact CB-CG 4.17Å; P91-K95 HydrophobicContact CB-CB 3.72Å; S92-K95 WeakPolarHBondContact O-CA 3.48Å; S92-K95 WeakPolarHBondContact O-CB 3.47Å; S92-K95 PolarHBondContact O-N 3.42Å; S92-K95 PolarHBondContact OG-N 2.97Å; L93-K95 VanDerWaalsContact C-N 3.32Å; K95-A97 PolarHBondContact O-N 2.89Å; K95-Q98 WeakPolarHBondContact O-CA 3.19Å; K95-Q98 WeakPolarHBondContact O-CB 3.36Å; K95-Q98 PolarHBondContact O-N 3.03Å; K95-D99 PolarHBondContact O-N 3.5Å; K95-D99 VanDerWaalsContact O-N 3.11Å
96I98.4Very high96.9Very high1 Ų153.7 Ų53.71%0.00527%0.273CS..Hα-helixtrans-61.5-36.7172.3-54.9172.5000110.3L72 V74 F90 P91 S92 L93 Q98 D99 L100 V123 Y211L72-I96 HydrophobicContact CD2-CG2 3.99Å; V74-I96 HydrophobicContact CG1-CD1 4.05Å; V74-I96 HydrophobicContact CG2-CG2 4.3Å; F90-I96 HydrophobicContact CE1-CD1 4.35Å; P91-I96 HydrophobicContact CB-CG1 3.83Å; P91-I96 HydrophobicContact CG-CD1 4.1Å; P91-I96 HydrophobicContact CG-CG1 3.56Å; S92-I96 WeakPolarHBondContact O-CG1 3.4Å; S92-I96 PolarHBondContact O-N 2.85Å; L93-I96 HydrophobicContact CD2-CD1 4.02Å; L93-I96 PolarHBondContact O-N 2.8Å; I96-Q98 VanDerWaalsContact C-N 3.26Å; I96-Q98 PolarHBondContact O-N 3.25Å; I96-D99 WeakPolarHBondContact CA-OD2 3.45Å; I96-D99 WeakPolarHBondContact O-CB 3.24Å; I96-D99 PolarHBondContact O-N 3.45Å; I96-D99 VanDerWaalsContact O-N 3.13Å; I96-L100 PolarHBondContact O-N 3.5Å; I96-V123 HydrophobicContact CB-CG1 4.07Å; I96-V123 HydrophobicContact CB-CG2 4.09Å; I96-V123 HydrophobicContact CD1-CG2 4.47Å; I96-V123 HydrophobicContact CG2-CG1 3.73Å; I96-V123 HydrophobicContact CG2-CG2 4.1Å; I96-Y211 HydrophobicContact CD1-CD2 4.32Å; I96-Y211 HydrophobicContact CD1-CE2 3.99Å
97A98.3Very high97.2Very high5 Ų547.8 Ų47.84%0.04123%0.233CC..Hα-helixtrans-65.2-28.8174.400000113L93 D94 K95 L100 V123 R126 F127L93-A97 WeakPolarHBondContact O-CB 3.43Å; L93-A97 PolarHBondContact O-N 3.25Å; D94-A97 WeakPolarHBondContact O-CB 3.47Å; D94-A97 PolarHBondContact O-N 2.88Å; K95-A97 PolarHBondContact O-N 2.89Å; A97-L100 WeakPolarHBondContact O-CB 3.35Å; A97-L100 PolarHBondContact O-N 2.81Å; A97-V123 HydrophobicContact CB-CG1 4.17Å; A97-R126 HydrophobicContact CB-CB 3.69Å; A97-F127 HydrophobicContact CB-CB 4.06Å
98Q98Very high97.4Very high92 Ų9246.5 Ų46.543%0.4323%0.225SC..Hα-helixtrans-72.2-34171.6-67.3168.825.100111.7P17 D94 K95 I96 L100 V101 H102P17-Q98 HydrophobicContact CG-CB 3.94Å; D94-Q98 WeakPolarHBondContact O-CG 3.48Å; D94-Q98 PolarHBondContact O-N 3.15Å; K95-Q98 WeakPolarHBondContact O-CA 3.19Å; K95-Q98 WeakPolarHBondContact O-CB 3.36Å; K95-Q98 PolarHBondContact O-N 3.03Å; I96-Q98 VanDerWaalsContact C-N 3.26Å; I96-Q98 PolarHBondContact O-N 3.25Å; Q98-L100 PolarHBondContact O-N 3.28Å; Q98-V101 WeakPolarHBondContact O-CB 3.41Å; Q98-V101 PolarHBondContact O-N 3.36Å; Q98-H102 PolarHBondContact O-CD2 3.2Å; Q98-H102 PolarHBondContact O-N 2.85Å
99D98.3Very high97.6Very high2 Ų244.2 Ų44.21%0.01122%0.216CC..Hα-helixtrans-57.7-37.4173.3-59-28.7000111.5T15 P17 S18 K95 I96 V101 H102 V103T15-D99 VanDerWaalsContact CB-OD1 3.31Å; T15-D99 WeakPolarHBondContact CB-OD1 3.49Å; T15-D99 HydrophobicContact CG2-CB 4.14Å; T15-D99 PolarHBondContact OG1-OD1 2.8Å; P17-D99 WeakPolarHBondContact CB-OD1 3.36Å; P17-D99 VanDerWaalsContact CD-OD1 3.26Å; P17-D99 WeakPolarHBondContact CD-OD1 3.4Å; P17-D99 VanDerWaalsContact CG-OD1 3.28Å; P17-D99 WeakPolarHBondContact CG-OD1 3.32Å; S18-D99 WeakPolarHBondContact CB-OD2 3.27Å; S18-D99 VanDerWaalsContact OG-CG 3.3Å; S18-D99 PolarHBondContact OG-OD1 3.44Å; S18-D99 PolarHBondContact OG-OD2 3.09Å; K95-D99 PolarHBondContact O-N 3.5Å; K95-D99 VanDerWaalsContact O-N 3.11Å; I96-D99 WeakPolarHBondContact CA-OD2 3.45Å; I96-D99 WeakPolarHBondContact O-CB 3.24Å; I96-D99 PolarHBondContact O-N 3.45Å; I96-D99 VanDerWaalsContact O-N 3.13Å; D99-V101 PolarHBondContact O-N 3.23Å; D99-H102 WeakPolarHBondContact O-CB 3.47Å; D99-H102 PolarHBondContact O-N 3.34Å; D99-H102 VanDerWaalsContact O-N 3.08Å; D99-V103 VanDerWaalsContact O-CG2 3.31Å; D99-V103 WeakPolarHBondContact O-CG2 3.43Å; D99-V103 PolarHBondContact O-N 2.83Å
100L98.6Very high97.7Very high0 Ų044.5 Ų44.50%022%0.215CC..Hα-helixtrans-57.5-37.8176.6-64.3-176.5000112.2L39 L72 I96 A97 Q98 L104 V123 M124 F127L39-L100 HydrophobicContact CD1-CD2 4.19Å; L39-L100 HydrophobicContact CD2-CB 3.74Å; L39-L100 HydrophobicContact CD2-CD1 4.35Å; L39-L100 HydrophobicContact CD2-CD2 3.75Å; L39-L100 HydrophobicContact CD2-CG 4.15Å; L39-L100 HydrophobicContact CG-CD2 3.98Å; L72-L100 HydrophobicContact CB-CD2 4.1Å; L72-L100 HydrophobicContact CD2-CD2 3.58Å; L72-L100 HydrophobicContact CD2-CG 4.48Å; L72-L100 HydrophobicContact CG-CD2 4.32Å; I96-L100 PolarHBondContact O-N 3.5Å; A97-L100 WeakPolarHBondContact O-CB 3.35Å; A97-L100 PolarHBondContact O-N 2.81Å; Q98-L100 PolarHBondContact O-N 3.28Å; L100-L104 WeakPolarHBondContact O-CG 3.35Å; L100-L104 PolarHBondContact O-N 3.1Å; L100-L104 VanDerWaalsContact O-N 3.12Å; L100-V123 HydrophobicContact CD1-CG1 3.92Å; L100-V123 HydrophobicContact CG-CG1 4.48Å; L100-M124 HydrophobicContact CD1-CE 4.17Å; L100-M124 HydrophobicContact CD1-SD 3.94Å; L100-F127 HydrophobicContact CB-CD1 4.36Å; L100-F127 HydrophobicContact CB-CD2 3.96Å; L100-F127 HydrophobicContact CB-CE2 4.22Å; L100-F127 HydrophobicContact CB-CG 4.05Å; L100-F127 HydrophobicContact CD1-CB 3.77Å; L100-F127 HydrophobicContact CD1-CD1 3.97Å; L100-F127 HydrophobicContact CD1-CG 3.87Å
101V98Very high97.7Very high16 Ų1644.9 Ų44.910%0.09722%0.22CC..Hα-helixtrans-64.3-50174.4-176.30000110.1Q98 D99 V103 L104 D105 F127 H131Q98-V101 WeakPolarHBondContact O-CB 3.41Å; Q98-V101 PolarHBondContact O-N 3.36Å; D99-V101 PolarHBondContact O-N 3.23Å; V101-V103 VanDerWaalsContact C-N 3.29Å; V101-V103 PolarHBondContact O-N 3.08Å; V101-L104 PolarHBondContact O-N 3.39Å; V101-L104 VanDerWaalsContact O-N 3.14Å; V101-D105 PolarHBondContact O-N 3.15Å; V101-F127 HydrophobicContact CG2-CD2 3.92Å; V101-F127 HydrophobicContact CG2-CE2 3.65Å; V101-H131 WeakPolarHBondContact CG2-CD2 3.45Å; V101-H131 WeakPolarHBondContact CG2-NE2 3.25Å
102H98Very high97.8Very high65 Ų6544.8 Ų44.830%0.30122%0.219SC..Hα-helixtrans-60.8-38180-68.5-60.2000112.5T15 Q98 D99 D105 Y106T15-H102 HydrophobicContact CG2-CB 3.93Å; Q98-H102 PolarHBondContact O-CD2 3.2Å; Q98-H102 PolarHBondContact O-N 2.85Å; D99-H102 WeakPolarHBondContact O-CB 3.47Å; D99-H102 PolarHBondContact O-N 3.34Å; D99-H102 VanDerWaalsContact O-N 3.08Å; H102-D105 PolarHBondContact O-N 3.27Å; H102-Y106 WeakPolarHBondContact O-CB 3.24Å; H102-Y106 PolarHBondContact O-N 3.15Å
103V98.4Very high97.9Very high0 Ų042.4 Ų42.40%020%0.203CC..Hα-helixtrans-61.5-48.1173.8167.20000110.9I13 V21 V23 L39 L72 D99 V101 D105 Y106 F107I13-V103 HydrophobicContact CD1-CB 4.47Å; I13-V103 HydrophobicContact CD1-CG1 4.26Å; I13-V103 HydrophobicContact CD1-CG2 4.15Å; V21-V103 HydrophobicContact CG2-CG2 4.06Å; V23-V103 HydrophobicContact CG1-CG1 4.35Å; V23-V103 HydrophobicContact CG2-CB 4.41Å; V23-V103 HydrophobicContact CG2-CG1 3.78Å; V23-V103 HydrophobicContact CG2-CG2 3.68Å; L39-V103 HydrophobicContact CD1-CG1 4.05Å; L72-V103 HydrophobicContact CD1-CG2 4.13Å; D99-V103 VanDerWaalsContact O-CG2 3.31Å; D99-V103 WeakPolarHBondContact O-CG2 3.43Å; D99-V103 PolarHBondContact O-N 2.83Å; V101-V103 VanDerWaalsContact C-N 3.29Å; V101-V103 PolarHBondContact O-N 3.08Å; V103-D105 VanDerWaalsContact C-N 3.3Å; V103-D105 PolarHBondContact O-N 3.49Å; V103-Y106 WeakPolarHBondContact O-CB 3.14Å; V103-Y106 PolarHBondContact O-N 2.64Å; V103-F107 HydrophobicContact CG1-CD2 4.07Å; V103-F107 HydrophobicContact CG1-CE2 4.02Å; V103-F107 WeakPolarHBondContact O-CD2 3.1Å; V103-F107 PolarHBondContact O-N 3.27Å
104L98.3Very high97.9Very high0 Ų042.4 Ų42.40%020%0.203CC..Hα-helixtrans-65.2-36.7178.6-66.9-175.7000112.2L39 L70 L100 V101 F107 N108 I109 V112 F127 R134L39-L104 HydrophobicContact CB-CD2 4.49Å; L39-L104 HydrophobicContact CD1-CD2 4.46Å; L39-L104 HydrophobicContact CD2-CD1 4.2Å; L39-L104 HydrophobicContact CD2-CD2 4Å; L39-L104 HydrophobicContact CD2-CG 3.96Å; L70-L104 HydrophobicContact CD1-CD2 4.44Å; L100-L104 WeakPolarHBondContact O-CG 3.35Å; L100-L104 PolarHBondContact O-N 3.1Å; L100-L104 VanDerWaalsContact O-N 3.12Å; V101-L104 PolarHBondContact O-N 3.39Å; V101-L104 VanDerWaalsContact O-N 3.14Å; L104-F107 PolarHBondContact O-N 2.77Å; L104-N108 PolarHBondContact O-N 3.35Å; L104-N108 VanDerWaalsContact O-N 3.08Å; L104-I109 HydrophobicContact CD2-CB 4.11Å; L104-I109 HydrophobicContact CD2-CD1 4.42Å; L104-I109 HydrophobicContact CD2-CG2 4Å; L104-I109 PolarHBondContact O-N 3.37Å; L104-V112 HydrophobicContact CD1-CG1 4.22Å; L104-V112 HydrophobicContact CD1-CG2 4.11Å; L104-V112 HydrophobicContact CD2-CG1 3.46Å; L104-V112 VanDerWaalsContact CD2-CG1 3.46Å; L104-V112 HydrophobicContact CD2-CG2 4.39Å; L104-F127 HydrophobicContact CD1-CE1 4.44Å; L104-F127 HydrophobicContact CD1-CZ 3.73Å; L104-R134 HydrophobicContact CD1-CB 4.24Å
105D98.1Very high98Very high88 Ų8839.6 Ų39.647%0.47119%0.188SC..Hα-helixtrans-67.6-41.3177.4-65.7-8.8000111.2V101 H102 V103 F107 N108 R134V101-D105 PolarHBondContact O-N 3.15Å; H102-D105 PolarHBondContact O-N 3.27Å; V103-D105 VanDerWaalsContact C-N 3.3Å; V103-D105 PolarHBondContact O-N 3.49Å; D105-F107 VanDerWaalsContact C-N 3.29Å; D105-F107 PolarHBondContact O-N 3.3Å; D105-N108 PolarHBondContact O-N 3.16Å; D105-R134 IonicContact OD1-CZ 3.11Å; D105-R134 VanDerWaalsContact OD1-CZ 3.28Å; D105-R134 IonicContact OD1-NH1 2.73Å; D105-R134 PolarHBondContact OD1-NH1 2.76Å; D105-R134 IonicContact OD1-NH2 3.86Å; D105-R134 PolarHBondContact OD1-NH2 2.94Å
106Y98Very high98Very high125 Ų12535.3 Ų35.349%0.4917%0.169SC..Hα-helixtrans-55.3-43.3174.6179.6-86.8000112.1Y11 I13 H102 V103 N108Y11-Y106 HydrophobicContact CD1-CE1 4.09Å; I13-Y106 HydrophobicContact CD1-CD1 3.61Å; I13-Y106 HydrophobicContact CD1-CE1 4.13Å; I13-Y106 HydrophobicContact CD1-CG 3.9Å; I13-Y106 HydrophobicContact CG1-CD1 3.96Å; I13-Y106 HydrophobicContact CG1-CD2 4.29Å; I13-Y106 HydrophobicContact CG1-CE1 4.11Å; I13-Y106 HydrophobicContact CG1-CE2 4.41Å; I13-Y106 HydrophobicContact CG1-CG 4.07Å; I13-Y106 HydrophobicContact CG2-CD2 3.9Å; I13-Y106 HydrophobicContact CG2-CG 3.93Å; H102-Y106 WeakPolarHBondContact O-CB 3.24Å; H102-Y106 PolarHBondContact O-N 3.15Å; V103-Y106 WeakPolarHBondContact O-CB 3.14Å; V103-Y106 PolarHBondContact O-N 2.64Å; Y106-N108 VanDerWaalsContact C-N 3.32Å
107F96.9Very high98Very high23 Ų2336 Ų3610%0.10117%0.172CC..THydrogen-bonded Turntrans-85.70.8177.1-67.5-66000114.2Y11 I13 V23 L29 R32 L70 V103 L104 D105 I109Y11-F107 AromaticContact CD1-CE1 3.74Å; Y11-F107 HydrophobicContact CD1-CE1 3.74Å; Y11-F107 AromaticContact CD1-CZ 3.95Å; Y11-F107 HydrophobicContact CD1-CZ 3.95Å; Y11-F107 HydrophobicContact CD2-CE1 4.02Å; Y11-F107 AromaticContact CD2-CZ 3.77Å; Y11-F107 HydrophobicContact CD2-CZ 3.77Å; Y11-F107 AromaticContact CE1-CE1 3.78Å; Y11-F107 HydrophobicContact CE1-CE1 3.78Å; Y11-F107 HydrophobicContact CE1-CZ 4.4Å; Y11-F107 HydrophobicContact CE2-CE1 4.09Å; Y11-F107 HydrophobicContact CE2-CZ 4.26Å; Y11-F107 AromaticContact CG-CE1 3.84Å; Y11-F107 HydrophobicContact CG-CE1 3.84Å; Y11-F107 AromaticContact CG-CZ 3.6Å; Y11-F107 HydrophobicContact CG-CZ 3.6Å; Y11-F107 AromaticContact CZ-CE1 3.95Å; I13-F107 HydrophobicContact CD1-CD2 4.31Å; I13-F107 HydrophobicContact CD1-CE2 3.52Å; I13-F107 HydrophobicContact CD1-CZ 3.88Å; V23-F107 HydrophobicContact CB-CE2 4.37Å; V23-F107 HydrophobicContact CG1-CE2 3.98Å; V23-F107 HydrophobicContact CG1-CZ 4.38Å; L29-F107 HydrophobicContact CD1-CD1 3.94Å; L29-F107 HydrophobicContact CD1-CE1 3.64Å; L29-F107 HydrophobicContact CD1-CZ 4.36Å; R32-F107 PolarHBondContact NH1-O 3.22Å; L70-F107 HydrophobicContact CD1-CD2 3.61Å; L70-F107 HydrophobicContact CD1-CE2 4.02Å; L70-F107 HydrophobicContact CD1-CG 4.31Å; L70-F107 HydrophobicContact CD2-CD2 4.26Å; L70-F107 HydrophobicContact CD2-CE2 3.98Å; L70-F107 HydrophobicContact CD2-CZ 4.27Å; V103-F107 HydrophobicContact CG1-CD2 4.07Å; V103-F107 HydrophobicContact CG1-CE2 4.02Å; V103-F107 WeakPolarHBondContact O-CD2 3.1Å; V103-F107 PolarHBondContact O-N 3.27Å; L104-F107 PolarHBondContact O-N 2.77Å; D105-F107 VanDerWaalsContact C-N 3.29Å; D105-F107 PolarHBondContact O-N 3.3Å; F107-I109 VanDerWaalsContact C-N 3.33Å; F107-I109 HydrophobicContact CB-CD1 3.47Å; F107-I109 VanDerWaalsContact CB-CD1 3.47Å; F107-I109 HydrophobicContact CB-CG1 3.79Å; F107-I109 HydrophobicContact CG-CD1 4.25Å; F107-I109 PolarHBondContact O-N 3.33Å
108N96.8Very high97.8Very high109 Ų10935.8 Ų35.858%0.58317%0.171SC*.THydrogen-bonded Turntrans50.252.1-172.9-173.723.7000112R32 L104 D105 Y106R32-N108 PolarHBondContact NH1-O 3.3Å; R32-N108 VanDerWaalsContact NH1-O 3.11Å; L104-N108 PolarHBondContact O-N 3.35Å; L104-N108 VanDerWaalsContact O-N 3.08Å; D105-N108 PolarHBondContact O-N 3.16Å; Y106-N108 VanDerWaalsContact C-N 3.32Å
109I97.4Very high97.7Very high11 Ų1131.4 Ų31.46%0.05615%0.15CC..  trans-108.9123.2178.2-64.3165000109M37 L70 L104 F107 V112 R134M37-I109 HydrophobicContact CB-CG2 4.2Å; M37-I109 HydrophobicContact CE-CD1 3.51Å; M37-I109 HydrophobicContact CE-CG1 4.29Å; M37-I109 HydrophobicContact CG-CG2 4.1Å; L70-I109 HydrophobicContact CD1-CD1 3.4Å; L70-I109 VanDerWaalsContact CD1-CD1 3.4Å; L104-I109 HydrophobicContact CD2-CB 4.11Å; L104-I109 HydrophobicContact CD2-CD1 4.42Å; L104-I109 HydrophobicContact CD2-CG2 4Å; L104-I109 PolarHBondContact O-N 3.37Å; F107-I109 VanDerWaalsContact C-N 3.33Å; F107-I109 HydrophobicContact CB-CD1 3.47Å; F107-I109 VanDerWaalsContact CB-CD1 3.47Å; F107-I109 HydrophobicContact CB-CG1 3.79Å; F107-I109 HydrophobicContact CG-CD1 4.25Å; F107-I109 PolarHBondContact O-N 3.33Å; I109-V112 HydrophobicContact CG2-CG1 3.49Å; I109-V112 VanDerWaalsContact CG2-CG1 3.49Å; I109-R134 PolarHBondContact O-NH2 3.32Å
110K96.3Very high97.7Very high164 Ų16431.3 Ų31.371%0.71315%0.15SC*.  trans-80.2-48.1-176.9-65-175.5179.8-1780113.1R134K110-R134 VanDerWaalsContact O-CD 3.25Å; K110-R134 WeakPolarHBondContact O-CD 3.45Å; K110-R134 PolarHBondContact O-NE 3.48Å
111T97.6Very high97.6Very high41 Ų4131.3 Ų31.325%0.25215%0.15SC..  trans-142.5138.8-170.1-48.90000110.1N133 R134 F136T111-N133 PolarHBondContact OG1-O 3.37Å; T111-R134 CarbonylContact C-O 3.49Å; T111-R134 VanDerWaalsContact CA-O 3.31Å; T111-R134 WeakPolarHBondContact CA-O 3.3Å; T111-F136 HydrophobicContact CG2-CD1 3.87Å; T111-F136 HydrophobicContact CG2-CD2 3.66Å; T111-F136 HydrophobicContact CG2-CE1 3.86Å; T111-F136 HydrophobicContact CG2-CE2 3.65Å; T111-F136 HydrophobicContact CG2-CG 3.77Å; T111-F136 HydrophobicContact CG2-CZ 3.75Å
112V98.7Very high97.6Very high0 Ų030.6 Ų30.60%015%0.145CC..EExtended strand (participates in β ladder)trans-133.9170.3-178.3-58.30000111.7M37 L39 L104 I109 R134 L135 F136M37-V112 HydrophobicContact CB-CB 4.32Å; M37-V112 HydrophobicContact CB-CG1 3.71Å; M37-V112 CarbonylContact O-C 3.6Å; M37-V112 VanDerWaalsContact O-CA 3.27Å; M37-V112 WeakPolarHBondContact O-CA 3.39Å; M37-V112 WeakPolarHBondContact O-CB 3.33Å; L39-V112 HydrophobicContact CB-CB 4.26Å; L39-V112 HydrophobicContact CB-CG2 3.69Å; L39-V112 HydrophobicContact CD2-CG2 4.44Å; L104-V112 HydrophobicContact CD1-CG1 4.22Å; L104-V112 HydrophobicContact CD1-CG2 4.11Å; L104-V112 HydrophobicContact CD2-CG1 3.46Å; L104-V112 VanDerWaalsContact CD2-CG1 3.46Å; L104-V112 HydrophobicContact CD2-CG2 4.39Å; I109-V112 HydrophobicContact CG2-CG1 3.49Å; I109-V112 VanDerWaalsContact CG2-CG1 3.49Å; V112-R134 PolarHBondContact N-O 3.35Å; V112-L135 HydrophobicContact CG2-CD2 3.94Å; V112-L135 CarbonylContact O-C 3.53Å; V112-L135 VanDerWaalsContact O-CA 3.24Å; V112-L135 WeakPolarHBondContact O-CA 3.36Å; V112-F136 PolarHBondContact O-N 3.03Å
113V98.8Very high97.6Very high0 Ų027.5 Ų27.50%013%0.131CC..EExtended strand (participates in β ladder)trans-92.4125.4157.9-179.60000108T36 M37 F38 L39 F136 I139 F285 V291T36-V113 HydrophobicContact CG2-CG2 4.03Å; M37-V113 PolarHBondContact O-N 3.19Å; F38-V113 VanDerWaalsContact CA-O 3.32Å; F38-V113 WeakPolarHBondContact CA-O 3.24Å; F38-V113 HydrophobicContact CD1-CB 3.69Å; F38-V113 HydrophobicContact CD1-CG1 3.86Å; F38-V113 HydrophobicContact CE1-CB 3.61Å; F38-V113 HydrophobicContact CE1-CG1 3.53Å; F38-V113 HydrophobicContact CE1-CG2 4.26Å; F38-V113 HydrophobicContact CG-CB 4.27Å; F38-V113 HydrophobicContact CZ-CB 4.13Å; F38-V113 HydrophobicContact CZ-CG1 4.32Å; F38-V113 HydrophobicContact CZ-CG2 4.3Å; L39-V113 PolarHBondContact N-O 2.76Å; V113-F136 HydrophobicContact CG2-CB 4.28Å; V113-F136 HydrophobicContact CG2-CD2 4.41Å; V113-I139 HydrophobicContact CG1-CD1 4.25Å; V113-F285 HydrophobicContact CG1-CE1 4.45Å; V113-V291 HydrophobicContact CG2-CG2 3.87Å
114G98.8Very high97.6Very high0 Ų027.5 Ų27.50%013%0.131CC..EExtended strand (participates in β ladder)trans-83.6133.9176.500000110.8L39 L135 G137 V138 I139L39-G114 WeakPolarHBondContact O-CA 3.33Å; G114-L135 VanDerWaalsContact N-CD2 3.27Å; G114-G137 PolarHBondContact N-O 3.34Å; G114-V138 CarbonylContact O-C 3.59Å; G114-V138 WeakPolarHBondContact O-CA 3.33Å; G114-I139 PolarHBondContact O-N 2.99Å
115L98.8Very high97.6Very high0 Ų027.5 Ų27.50%013%0.131CC..EExtended strand (participates in β ladder)trans-133.8114.6175174.563.4000110.1L39 T40 C41 L51 F54 I139 I141L39-L115 PolarHBondContact O-N 2.92Å; T40-L115 CarbonylContact C-O 3.59Å; T40-L115 WeakPolarHBondContact CA-O 3.45Å; T40-L115 WeakPolarHBondContact CB-O 3.2Å; T40-L115 HydrophobicContact CG2-CB 4.16Å; T40-L115 HydrophobicContact CG2-CD2 4.36Å; C41-L115 PolarHBondContact N-O 2.8Å; C41-L115 VanDerWaalsContact N-O 3.1Å; L51-L115 HydrophobicContact CD2-CD2 4.07Å; L51-L115 HydrophobicContact CD2-CG 4.2Å; F54-L115 HydrophobicContact CE1-CD2 4.46Å; L115-I139 WeakPolarHBondContact CA-O 3.36Å; L115-I139 HydrophobicContact CD1-CB 3.71Å; L115-I139 HydrophobicContact CD1-CD1 4.47Å; L115-I139 HydrophobicContact CD1-CG2 3.64Å; L115-I141 HydrophobicContact CD1-CD1 3.76Å; L115-I141 HydrophobicContact CD1-CG1 4.34Å
116G98.6Very high97.6Very high0 Ų023.7 Ų23.70%011%0.11CC..EExtended strand (participates in β ladder)trans-129.4153.4178.200000113C41 A121 I139 I141C41-G116 WeakPolarHBondContact O-CA 3.29Å; G116-A121 WeakPolarHBondContact O-CB 3.29Å; G116-I139 PolarHBondContact N-O 3.04Å; G116-I141 PolarHBondContact O-N 3.24Å
117E97.5Very high97.6Very high14 Ų1417.7 Ų17.77%0.0659%0.087CC..EExtended strand (participates in β ladder)trans-118.8134.7172.5-172.3-168.5-168.100110.1C41 D43 A119 G120 A121 I141 L271C41-E117 PolarHBondContact O-N 3.12Å; D43-E117 WeakPolarHBondContact CA-O 3.38Å; D43-E117 HydrophobicContact CB-CB 4.22Å; D43-E117 HydrophobicContact CB-CG 4.02Å; D43-E117 WeakPolarHBondContact CB-O 3.15Å; D43-E117 PolarHBondContact N-O 3.02Å; E117-A119 PolarHBondContact O-N 3.13Å; E117-A119 VanDerWaalsContact O-N 3.17Å; E117-G120 CarbonylContact O-C 3.59Å; E117-G120 VanDerWaalsContact O-CA 3.31Å; E117-G120 WeakPolarHBondContact O-CA 3.42Å; E117-G120 PolarHBondContact O-N 3.21Å; E117-A121 PolarHBondContact O-N 3.01Å; E117-I141 CarbonylContact C-O 3.55Å; E117-I141 WeakPolarHBondContact CA-O 3.16Å; E117-I141 HydrophobicContact CG-CB 4.47Å; E117-I141 HydrophobicContact CG-CG2 4.35Å; E117-L271 HydrophobicContact CB-CD1 4.35Å; E117-L271 HydrophobicContact CG-CD1 4.08Å; E117-L271 WeakPolarHBondContact OE2-CD1 3.44Å
118G94.5Very high97.7Very high2 Ų216.6 Ų16.62%0.0218%0.082CC..Hα-helixtrans50.3-115.3174.300000113.9D43 G120 A121 N122 I141D43-G118 WeakPolarHBondContact OD1-CA 3.49Å; G118-G120 VanDerWaalsContact C-N 3.32Å; G118-G120 PolarHBondContact O-N 2.88Å; G118-A121 VanDerWaalsContact O-CB 3.3Å; G118-A121 WeakPolarHBondContact O-CB 3.4Å; G118-A121 PolarHBondContact O-N 2.85Å; G118-A121 VanDerWaalsContact O-N 3.13Å; G118-N122 PolarHBondContact O-N 3.04Å; G118-I141 PolarHBondContact N-O 3.26Å
119A95.1Very high97.7Very high0 Ų013 Ų130%06%0.062CC..Hα-helixtrans-60.7-39.2174.900000112.9D43 I44 E117 A121 N122 V123 Y211 F215D43-A119 PolarHBondContact OD1-N 2.62Å; I44-A119 HydrophobicContact CD1-CB 3.65Å; I44-A119 HydrophobicContact CG1-CB 3.59Å; E117-A119 PolarHBondContact O-N 3.13Å; E117-A119 VanDerWaalsContact O-N 3.17Å; A119-A121 VanDerWaalsContact C-N 3.29Å; A119-A121 PolarHBondContact O-N 2.96Å; A119-N122 WeakPolarHBondContact O-CB 3.4Å; A119-N122 PolarHBondContact O-N 2.85Å; A119-N122 VanDerWaalsContact O-N 3.14Å; A119-V123 WeakPolarHBondContact O-CG2 3.35Å; A119-V123 PolarHBondContact O-N 2.79Å; A119-Y211 HydrophobicContact CB-CE1 4.46Å; A119-Y211 HydrophobicContact CB-CE2 4.19Å; A119-Y211 WeakPolarHBondContact CB-OH 3.46Å; A119-F215 HydrophobicContact CB-CD2 3.44Å; A119-F215 VanDerWaalsContact CB-CD2 3.44Å; A119-F215 HydrophobicContact CB-CE2 3.85Å; A119-F215 HydrophobicContact CB-CG 4.12Å
120G98Very high97.7Very high0 Ų015.4 Ų15.40%08%0.084CC..Hα-helixtrans-66.6-29.9173.200000112.9C41 H42 E117 G118 V123 M124 Y211C41-G120 VanDerWaalsContact SG-CA 3.52Å; H42-G120 VanDerWaalsContact O-CA 3.29Å; H42-G120 WeakPolarHBondContact O-CA 3.49Å; H42-G120 PolarHBondContact O-N 3.16Å; E117-G120 CarbonylContact O-C 3.59Å; E117-G120 VanDerWaalsContact O-CA 3.31Å; E117-G120 WeakPolarHBondContact O-CA 3.42Å; E117-G120 PolarHBondContact O-N 3.21Å; G118-G120 VanDerWaalsContact C-N 3.32Å; G118-G120 PolarHBondContact O-N 2.88Å; G120-V123 PolarHBondContact O-N 2.93Å; G120-M124 WeakPolarHBondContact O-CB 3.37Å; G120-M124 PolarHBondContact O-N 2.98Å; G120-Y211 PolarHBondContact N-OH 2.88Å
121A98Very high97.8Very high0 Ų010.7 Ų10.70%06%0.064CC..Hα-helixtrans-66.5-41.6169.200000111.3G116 E117 G118 A119 V123 M124 C125 L140 C143G116-A121 WeakPolarHBondContact O-CB 3.29Å; E117-A121 PolarHBondContact O-N 3.01Å; G118-A121 VanDerWaalsContact O-CB 3.3Å; G118-A121 WeakPolarHBondContact O-CB 3.4Å; G118-A121 PolarHBondContact O-N 2.85Å; G118-A121 VanDerWaalsContact O-N 3.13Å; A119-A121 VanDerWaalsContact C-N 3.29Å; A119-A121 PolarHBondContact O-N 2.96Å; A121-V123 PolarHBondContact O-N 2.88Å; A121-M124 PolarHBondContact O-N 3.18Å; A121-C125 WeakPolarHBondContact O-CB 3.41Å; A121-C125 PolarHBondContact O-N 3.04Å; A121-L140 HydrophobicContact CB-CB 4.36Å; A121-L140 HydrophobicContact CB-CD2 4Å; A121-L140 WeakPolarHBondContact O-CD2 3.1Å; A121-C143 HydrophobicContact CB-CB 3.58Å
122N97.2Very high97.8Very high0 Ų010.4 Ų10.40%06%0.063CC..Hα-helixtrans-61.9-44.2174.9-170.6-76.3000111.4L93 G118 A119 M124 C125 R126 T144 F215L93-N122 HydrophobicContact CD1-CB 4.14Å; L93-N122 WeakPolarHBondContact CD1-OD1 3.47Å; G118-N122 PolarHBondContact O-N 3.04Å; A119-N122 WeakPolarHBondContact O-CB 3.4Å; A119-N122 PolarHBondContact O-N 2.85Å; A119-N122 VanDerWaalsContact O-N 3.14Å; N122-M124 PolarHBondContact O-N 2.88Å; N122-C125 WeakPolarHBondContact O-CB 3.41Å; N122-C125 PolarHBondContact O-N 2.95Å; N122-R126 WeakPolarHBondContact O-CG 3.41Å; N122-R126 PolarHBondContact O-N 3.03Å; N122-R126 PolarHBondContact OD1-NE 3.3Å; N122-R126 PolarHBondContact OD1-NH2 2.94Å; N122-T144 PolarHBondContact ND2-O 3.32Å; N122-F215 HydrophobicContact CB-CE2 4.46Å
123V98.4Very high97.7Very high0 Ų017.3 Ų17.30%010%0.1CC..Hα-helixtrans-57.2-47.7172.4170.90000111L93 I96 A97 L100 A119 G120 A121 C125 R126 F127L93-V123 HydrophobicContact CB-CG2 4Å; L93-V123 HydrophobicContact CD2-CG2 4.02Å; L93-V123 HydrophobicContact CG-CG2 4.41Å; I96-V123 HydrophobicContact CB-CG1 4.07Å; I96-V123 HydrophobicContact CB-CG2 4.09Å; I96-V123 HydrophobicContact CD1-CG2 4.47Å; I96-V123 HydrophobicContact CG2-CG1 3.73Å; I96-V123 HydrophobicContact CG2-CG2 4.1Å; A97-V123 HydrophobicContact CB-CG1 4.17Å; L100-V123 HydrophobicContact CD1-CG1 3.92Å; L100-V123 HydrophobicContact CG-CG1 4.48Å; A119-V123 WeakPolarHBondContact O-CG2 3.35Å; A119-V123 PolarHBondContact O-N 2.79Å; G120-V123 PolarHBondContact O-N 2.93Å; A121-V123 PolarHBondContact O-N 2.88Å; V123-C125 VanDerWaalsContact C-N 3.28Å; V123-C125 PolarHBondContact O-N 2.86Å; V123-R126 WeakPolarHBondContact O-CB 3.42Å; V123-R126 PolarHBondContact O-N 3.43Å; V123-F127 PolarHBondContact O-N 3.23Å
124M98.5Very high97.7Very high0 Ų019.1 Ų19.10%011%0.107CC..Hα-helixtrans-63.3-35.5178.8-161.366.766.900112.1L39 C41 L100 G120 A121 N122 F127 A128 V138 L140L39-M124 WeakPolarHBondContact O-CE 3.02Å; C41-M124 HydrophobicContact CB-CE 4.01Å; L100-M124 HydrophobicContact CD1-CE 4.17Å; L100-M124 HydrophobicContact CD1-SD 3.94Å; G120-M124 WeakPolarHBondContact O-CB 3.37Å; G120-M124 PolarHBondContact O-N 2.98Å; A121-M124 PolarHBondContact O-N 3.18Å; N122-M124 PolarHBondContact O-N 2.88Å; M124-F127 PolarHBondContact O-N 3.16Å; M124-F127 HydrophobicContact SD-CD1 3.9Å; M124-A128 WeakPolarHBondContact O-CB 3.47Å; M124-A128 PolarHBondContact O-N 3.31Å; M124-V138 HydrophobicContact CB-CG2 4.14Å; M124-V138 HydrophobicContact CG-CG2 3.37Å; M124-L140 HydrophobicContact CB-CD2 4.15Å
125C98Very high97.7Very high0 Ų019.7 Ų19.70%011%0.11CC..Hα-helixtrans-66.1-40.7174.8-169.80000112A121 N122 V123 A128 I129 L140 L221 M250A121-C125 WeakPolarHBondContact O-CB 3.41Å; A121-C125 PolarHBondContact O-N 3.04Å; N122-C125 WeakPolarHBondContact O-CB 3.41Å; N122-C125 PolarHBondContact O-N 2.95Å; V123-C125 VanDerWaalsContact C-N 3.28Å; V123-C125 PolarHBondContact O-N 2.86Å; C125-A128 PolarHBondContact O-N 2.79Å; C125-I129 WeakPolarHBondContact O-CG1 3.43Å; C125-I129 PolarHBondContact O-N 3.11Å; C125-L140 HydrophobicContact CB-CD1 4.14Å; C125-L140 HydrophobicContact CB-CD2 4.21Å; C125-L221 HydrophobicContact CB-CD1 4.23Å; C125-M250 HydrophobicContact CB-CE 4.49Å
126R98.1Very high97.7Very high8 Ų823.9 Ų23.93%0.0313%0.128CC..Hα-helixtrans-63.1-44.2173.7-70172.1-171.6-72.8-9.9111.6D94 A97 N122 V123 A128 I129 A130 T219 L221D94-R126 WeakPolarHBondContact OD1-CD 3.31Å; D94-R126 IonicContact OD1-CZ 3.57Å; D94-R126 IonicContact OD1-NE 3.74Å; D94-R126 IonicContact OD1-NH1 3.55Å; D94-R126 PolarHBondContact OD1-NH1 2.94Å; D94-R126 IonicContact OD2-CZ 2.75Å; D94-R126 IonicContact OD2-NH1 3.64Å; D94-R126 PolarHBondContact OD2-NH1 2.67Å; D94-R126 VanDerWaalsContact OD2-NH1 3.11Å; A97-R126 HydrophobicContact CB-CB 3.69Å; N122-R126 WeakPolarHBondContact O-CG 3.41Å; N122-R126 PolarHBondContact O-N 3.03Å; N122-R126 PolarHBondContact OD1-NE 3.3Å; N122-R126 PolarHBondContact OD1-NH2 2.94Å; V123-R126 WeakPolarHBondContact O-CB 3.42Å; V123-R126 PolarHBondContact O-N 3.43Å; R126-A128 VanDerWaalsContact C-N 3.3Å; R126-A128 PolarHBondContact O-N 3.46Å; R126-I129 PolarHBondContact O-N 2.61Å; R126-A130 WeakPolarHBondContact O-CB 3.4Å; R126-A130 PolarHBondContact O-N 3.06Å; R126-T219 PolarHBondContact NH1-OG1 3.42Å; R126-T219 PolarHBondContact NH2-O 3.46Å; R126-L221 HydrophobicContact CG-CD1 3.95Å; R126-L221 HydrophobicContact CG-CD2 4.05Å
127F98.5Very high97.6Very high0 Ų023.9 Ų23.90%013%0.128CC..Hα-helixtrans-60.2-41.8174.9172.4-119.3000111.5L39 A97 L100 V101 L104 V123 M124 I129 A130 H131 R134 L135L39-F127 HydrophobicContact CD2-CE1 4.16Å; A97-F127 HydrophobicContact CB-CB 4.06Å; L100-F127 HydrophobicContact CB-CD1 4.36Å; L100-F127 HydrophobicContact CB-CD2 3.96Å; L100-F127 HydrophobicContact CB-CE2 4.22Å; L100-F127 HydrophobicContact CB-CG 4.05Å; L100-F127 HydrophobicContact CD1-CB 3.77Å; L100-F127 HydrophobicContact CD1-CD1 3.97Å; L100-F127 HydrophobicContact CD1-CG 3.87Å; V101-F127 HydrophobicContact CG2-CD2 3.92Å; V101-F127 HydrophobicContact CG2-CE2 3.65Å; L104-F127 HydrophobicContact CD1-CE1 4.44Å; L104-F127 HydrophobicContact CD1-CZ 3.73Å; V123-F127 PolarHBondContact O-N 3.23Å; M124-F127 PolarHBondContact O-N 3.16Å; M124-F127 HydrophobicContact SD-CD1 3.9Å; F127-I129 PolarHBondContact O-N 2.77Å; F127-A130 PolarHBondContact O-N 2.77Å; F127-H131 HydrophobicContact CD2-CB 4.11Å; F127-H131 AromaticContact CD2-CD2 3.99Å; F127-H131 HydrophobicContact CE2-CB 3.83Å; F127-H131 PolarHBondContact O-N 3Å; F127-R134 HydrophobicContact CE1-CB 4.49Å; F127-R134 HydrophobicContact CE2-CB 4.18Å; F127-R134 HydrophobicContact CZ-CB 3.62Å; F127-R134 HydrophobicContact CZ-CG 4.38Å; F127-L135 HydrophobicContact CD1-CD1 3.67Å; F127-L135 HydrophobicContact CD1-CD2 4.31Å; F127-L135 HydrophobicContact CD1-CG 4.19Å; F127-L135 HydrophobicContact CE1-CD1 3.68Å; F127-L135 HydrophobicContact CE1-CD2 3.89Å; F127-L135 HydrophobicContact CE1-CG 3.7Å; F127-L135 HydrophobicContact CZ-CG 4.49Å
128A98.2Very high97.7Very high0 Ų023.2 Ų23.20%013%0.125CC..Hα-helixtrans-63.8-36.2175.900000114.1M124 C125 R126 P132 L135 V138 L229 V231M124-A128 WeakPolarHBondContact O-CB 3.47Å; M124-A128 PolarHBondContact O-N 3.31Å; C125-A128 PolarHBondContact O-N 2.79Å; R126-A128 VanDerWaalsContact C-N 3.3Å; R126-A128 PolarHBondContact O-N 3.46Å; A128-P132 WeakPolarHBondContact O-CA 3Å; A128-L135 HydrophobicContact CB-CD1 3.6Å; A128-V138 HydrophobicContact CB-CB 4.46Å; A128-V138 HydrophobicContact CB-CG1 4.29Å; A128-L229 HydrophobicContact CB-CD1 3.56Å; A128-V231 HydrophobicContact CB-CG2 3.78Å
129I97.6Very high97.9Very high32 Ų3223.1 Ų23.116%0.16412%0.124CC..Hα-helixtrans-70.4-46.5174.4-73.4165.5000111.1C125 R126 F127 L221 L225 K228 L229C125-I129 WeakPolarHBondContact O-CG1 3.43Å; C125-I129 PolarHBondContact O-N 3.11Å; R126-I129 PolarHBondContact O-N 2.61Å; F127-I129 PolarHBondContact O-N 2.77Å; I129-L221 HydrophobicContact CD1-CD2 4.07Å; I129-L225 HydrophobicContact CD1-CD2 4.21Å; I129-K228 HydrophobicContact CG1-CB 4.44Å; I129-K228 HydrophobicContact CG2-CB 3.75Å; I129-K228 HydrophobicContact CG2-CD 4.26Å; I129-L229 HydrophobicContact CG1-CB 4.19Å; I129-L229 HydrophobicContact CG1-CD1 4.18Å
130A97.5Very high98.1Very high62 Ų6223.1 Ų23.151%0.51212%0.124SC..Hα-helixtrans-76.3-32.5-174.400000113.3R126 F127R126-A130 WeakPolarHBondContact O-CB 3.4Å; R126-A130 PolarHBondContact O-N 3.06Å; F127-A130 PolarHBondContact O-N 2.77Å
131H97.9Very high98.1Very high66 Ų6623.1 Ų23.131%0.30612%0.124SC..  trans-136.357.2-172.2-58.9-74.6000112.7V101 F127 N133 R134V101-H131 WeakPolarHBondContact CG2-CD2 3.45Å; V101-H131 WeakPolarHBondContact CG2-NE2 3.25Å; F127-H131 HydrophobicContact CD2-CB 4.11Å; F127-H131 AromaticContact CD2-CD2 3.99Å; F127-H131 HydrophobicContact CE2-CB 3.83Å; F127-H131 PolarHBondContact O-N 3Å; H131-N133 PolarHBondContact O-N 2.92Å; H131-N133 VanDerWaalsContact O-N 3.1Å; H131-R134 HydrophobicContact CB-CB 4.26Å; H131-R134 HydrophobicContact CB-CG 3.78Å; H131-R134 WeakPolarHBondContact O-CB 3.23Å; H131-R134 PolarHBondContact O-N 3.5Å
132P97.1Very high97.8Very high35 Ų3523.5 Ų23.523%0.22713%0.126CC..G310 helixtrans-58-31.8-175.223.3-34.7000113.2A128 R134 L135 K230 V231A128-P132 WeakPolarHBondContact O-CA 3Å; P132-R134 PolarHBondContact O-N 3.49Å; P132-R134 VanDerWaalsContact O-N 3.13Å; P132-L135 PolarHBondContact O-N 3.26Å; P132-L135 VanDerWaalsContact O-N 3.16Å; P132-K230 HydrophobicContact CB-CB 4.27Å; P132-V231 HydrophobicContact CB-CG1 3.7Å; P132-V231 WeakPolarHBondContact O-CG1 3.36Å
133N97.4Very high97.6Very high144 Ų14423.5 Ų23.577%0.7713%0.126SC*.G310 helixtrans-67.8-10.7177.9-63.7-32.1000114.2T111 H131T111-N133 PolarHBondContact OG1-O 3.37Å; H131-N133 PolarHBondContact O-N 2.92Å; H131-N133 VanDerWaalsContact O-N 3.1Å
134R98.3Very high97.1Very high38 Ų3823.6 Ų23.614%0.14313%0.126CC..G310 helixtrans-92.30.2177.6-55.3-60.4-64.7-91.912.2112.5L104 D105 I109 K110 T111 V112 F127 H131 P132L104-R134 HydrophobicContact CD1-CB 4.24Å; D105-R134 IonicContact OD1-CZ 3.11Å; D105-R134 VanDerWaalsContact OD1-CZ 3.28Å; D105-R134 IonicContact OD1-NH1 2.73Å; D105-R134 PolarHBondContact OD1-NH1 2.76Å; D105-R134 IonicContact OD1-NH2 3.86Å; D105-R134 PolarHBondContact OD1-NH2 2.94Å; I109-R134 PolarHBondContact O-NH2 3.32Å; K110-R134 VanDerWaalsContact O-CD 3.25Å; K110-R134 WeakPolarHBondContact O-CD 3.45Å; K110-R134 PolarHBondContact O-NE 3.48Å; T111-R134 CarbonylContact C-O 3.49Å; T111-R134 VanDerWaalsContact CA-O 3.31Å; T111-R134 WeakPolarHBondContact CA-O 3.3Å; V112-R134 PolarHBondContact N-O 3.35Å; F127-R134 HydrophobicContact CE1-CB 4.49Å; F127-R134 HydrophobicContact CE2-CB 4.18Å; F127-R134 HydrophobicContact CZ-CB 3.62Å; F127-R134 HydrophobicContact CZ-CG 4.38Å; H131-R134 HydrophobicContact CB-CB 4.26Å; H131-R134 HydrophobicContact CB-CG 3.78Å; H131-R134 WeakPolarHBondContact O-CB 3.23Å; H131-R134 PolarHBondContact O-N 3.5Å; P132-R134 PolarHBondContact O-N 3.49Å; P132-R134 VanDerWaalsContact O-N 3.13Å
135L98.6Very high96.2Very high12 Ų1223.6 Ų23.66%0.06313%0.126CC..EExtended strand (participates in β ladder)trans-130135.6-175.3-73.5152.4000112V112 G114 F127 A128 P132 G137 V231V112-L135 HydrophobicContact CG2-CD2 3.94Å; V112-L135 CarbonylContact O-C 3.53Å; V112-L135 VanDerWaalsContact O-CA 3.24Å; V112-L135 WeakPolarHBondContact O-CA 3.36Å; G114-L135 VanDerWaalsContact N-CD2 3.27Å; F127-L135 HydrophobicContact CD1-CD1 3.67Å; F127-L135 HydrophobicContact CD1-CD2 4.31Å; F127-L135 HydrophobicContact CD1-CG 4.19Å; F127-L135 HydrophobicContact CE1-CD1 3.68Å; F127-L135 HydrophobicContact CE1-CD2 3.89Å; F127-L135 HydrophobicContact CE1-CG 3.7Å; F127-L135 HydrophobicContact CZ-CG 4.49Å; A128-L135 HydrophobicContact CB-CD1 3.6Å; P132-L135 PolarHBondContact O-N 3.26Å; P132-L135 VanDerWaalsContact O-N 3.16Å; L135-G137 VanDerWaalsContact C-N 3.32Å; L135-V231 HydrophobicContact CB-CG1 4.12Å
136F97.8Very high95.3Very high89 Ų8924.4 Ų24.439%0.3913%0.131SC..EExtended strand (participates in β ladder)trans-73.9-30.6162.6-68-66.2000111.2T111 V112 V113 C289 V291T111-F136 HydrophobicContact CG2-CD1 3.87Å; T111-F136 HydrophobicContact CG2-CD2 3.66Å; T111-F136 HydrophobicContact CG2-CE1 3.86Å; T111-F136 HydrophobicContact CG2-CE2 3.65Å; T111-F136 HydrophobicContact CG2-CG 3.77Å; T111-F136 HydrophobicContact CG2-CZ 3.75Å; V112-F136 PolarHBondContact O-N 3.03Å; V113-F136 HydrophobicContact CG2-CB 4.28Å; V113-F136 HydrophobicContact CG2-CD2 4.41Å; F136-C289 HydrophobicContact CB-CB 4.1Å; F136-V291 HydrophobicContact CD1-CG1 4.23Å; F136-V291 HydrophobicContact CD2-CG1 3.85Å; F136-V291 HydrophobicContact CE1-CG1 4.31Å; F136-V291 HydrophobicContact CE2-CG1 3.93Å; F136-V291 HydrophobicContact CG-CG1 4.01Å; F136-V291 HydrophobicContact CZ-CG1 4.16Å
137G98.4Very high93.9Very high0 Ų027.2 Ų27.20%015%0.149CC..EExtended strand (participates in β ladder)trans174.5169.7179.600000110.1G114 L135 E232G114-G137 PolarHBondContact N-O 3.34Å; L135-G137 VanDerWaalsContact C-N 3.32Å; G137-E232 CarbonylContact C-O 3.57Å; G137-E232 WeakPolarHBondContact CA-O 3.43Å
138V98.6Very high91.8Very high0 Ų030 Ų300%017%0.173CC..EExtended strand (participates in β ladder)trans-127.4135.4-178.267.90000112.2G114 M124 A128 L140 V231 E232 A233 L234G114-V138 CarbonylContact O-C 3.59Å; G114-V138 WeakPolarHBondContact O-CA 3.33Å; M124-V138 HydrophobicContact CB-CG2 4.14Å; M124-V138 HydrophobicContact CG-CG2 3.37Å; A128-V138 HydrophobicContact CB-CB 4.46Å; A128-V138 HydrophobicContact CB-CG1 4.29Å; V138-L140 HydrophobicContact CG1-CD1 4.25Å; V138-L140 HydrophobicContact CG1-CG 4.17Å; V138-L140 HydrophobicContact CG2-CD2 3.48Å; V138-L140 VanDerWaalsContact CG2-CD2 3.48Å; V138-L140 HydrophobicContact CG2-CG 3.88Å; V138-V231 HydrophobicContact CG1-CG2 4.02Å; V138-E232 PolarHBondContact N-O 3.32Å; V138-A233 HydrophobicContact CG1-CB 3.77Å; V138-A233 CarbonylContact O-C 3.59Å; V138-A233 VanDerWaalsContact O-CA 3.31Å; V138-A233 WeakPolarHBondContact O-CA 3.33Å; V138-L234 PolarHBondContact O-N 3.3Å
139I98.7Very high89.7Confident0 Ų031.4 Ų31.40%019%0.187CC..EExtended strand (participates in β ladder)trans-109.6120.7173.9-54.9168.7000107.6V113 G114 L115 G116 I141 L234 V236 L282 F285V113-I139 HydrophobicContact CG1-CD1 4.25Å; G114-I139 PolarHBondContact O-N 2.99Å; L115-I139 WeakPolarHBondContact CA-O 3.36Å; L115-I139 HydrophobicContact CD1-CB 3.71Å; L115-I139 HydrophobicContact CD1-CD1 4.47Å; L115-I139 HydrophobicContact CD1-CG2 3.64Å; G116-I139 PolarHBondContact N-O 3.04Å; I139-I141 HydrophobicContact CG2-CG1 4.3Å; I139-L234 CarbonylContact C-O 3.56Å; I139-L234 WeakPolarHBondContact CA-O 3.47Å; I139-L234 HydrophobicContact CG1-CB 4.35Å; I139-L234 HydrophobicContact CG1-CD2 4.43Å; I139-L234 HydrophobicContact CG2-CD2 4.21Å; I139-L234 HydrophobicContact CG2-CG 4.49Å; I139-V236 HydrophobicContact CG2-CG2 4.32Å; I139-L282 HydrophobicContact CD1-CB 4.15Å; I139-L282 HydrophobicContact CD1-CD1 3.88Å; I139-L282 HydrophobicContact CD1-CG 3.64Å; I139-F285 HydrophobicContact CD1-CD1 3.89Å; I139-F285 HydrophobicContact CD1-CE1 4.33Å; I139-F285 HydrophobicContact CG1-CD1 3.61Å; I139-F285 HydrophobicContact CG1-CE1 3.69Å; I139-F285 HydrophobicContact CG1-CG 4.41Å
140L98.4Very high87.5Confident0 Ų030.8 Ų30.80%018%0.184CC..EExtended strand (participates in β ladder)trans-120.595.1-169.6-63.9-178.5000109.4A121 M124 C125 V138 C143 L234 L235 V236 M250A121-L140 HydrophobicContact CB-CB 4.36Å; A121-L140 HydrophobicContact CB-CD2 4Å; A121-L140 WeakPolarHBondContact O-CD2 3.1Å; M124-L140 HydrophobicContact CB-CD2 4.15Å; C125-L140 HydrophobicContact CB-CD1 4.14Å; C125-L140 HydrophobicContact CB-CD2 4.21Å; V138-L140 HydrophobicContact CG1-CD1 4.25Å; V138-L140 HydrophobicContact CG1-CG 4.17Å; V138-L140 HydrophobicContact CG2-CD2 3.48Å; V138-L140 VanDerWaalsContact CG2-CD2 3.48Å; V138-L140 HydrophobicContact CG2-CG 3.88Å; L140-C143 HydrophobicContact CB-CB 3.85Å; L140-L234 PolarHBondContact N-O 3.03Å; L140-L235 HydrophobicContact CB-CD2 3.94Å; L140-L235 HydrophobicContact CD1-CD2 4.02Å; L140-L235 WeakPolarHBondContact O-CA 3.47Å; L140-V236 PolarHBondContact O-N 3.28Å; L140-M250 HydrophobicContact CD1-CE 3.8Å
141I97.9Very high85.3Confident0 Ų031.6 Ų31.60%018%0.176CC..EExtended strand (participates in β ladder)trans-88.3128.4-178.8-55.9169.5000108.5L115 G116 E117 G118 I139 C143 V236 L271 L278L115-I141 HydrophobicContact CD1-CD1 3.76Å; L115-I141 HydrophobicContact CD1-CG1 4.34Å; G116-I141 PolarHBondContact O-N 3.24Å; E117-I141 CarbonylContact C-O 3.55Å; E117-I141 WeakPolarHBondContact CA-O 3.16Å; E117-I141 HydrophobicContact CG-CB 4.47Å; E117-I141 HydrophobicContact CG-CG2 4.35Å; G118-I141 PolarHBondContact N-O 3.26Å; I139-I141 HydrophobicContact CG2-CG1 4.3Å; I141-C143 PolarHBondContact O-N 2.74Å; I141-V236 CarbonylContact C-O 3.08Å; I141-V236 WeakPolarHBondContact CA-O 3.31Å; I141-V236 HydrophobicContact CG1-CB 4.28Å; I141-L271 HydrophobicContact CD1-CD2 3.75Å; I141-L271 HydrophobicContact CD1-CG 4.27Å; I141-L278 HydrophobicContact CD1-CD1 4.06Å; I141-L278 HydrophobicContact CD1-CD2 3.64Å; I141-L278 HydrophobicContact CD1-CG 4.5Å; I141-L278 HydrophobicContact CG1-CD1 4.34Å
142H93.5Very high83.3Confident7 Ų734.8 Ų34.83%0.03219%0.192CC..THydrogen-bonded Turntrans53.330.2177.8-57.5145.9000113.9V236 H243 G268H142-V236 PolarHBondContact N-O 3.43Å; H142-H243 HydrophobicContact CB-CB 4.25Å; H142-H243 AromaticContact CG-ND1 3.89Å; H142-H243 PolarHBondContact O-CD2 3.17Å; H142-G268 PolarHBondContact CE1-O 3.16Å; H142-G268 VanDerWaalsContact CE1-O 3.3Å; H142-G268 PolarHBondContact NE2-O 2.95Å
143C93Very high81Confident0 Ų038.6 Ų38.60%020%0.202CC..  trans-72.6147.8-175.6-168.30000112A121 L140 I141 M250A121-C143 HydrophobicContact CB-CB 3.58Å; L140-C143 HydrophobicContact CB-CB 3.85Å; I141-C143 PolarHBondContact O-N 2.74Å; C143-M250 HydrophobicContact CB-SD 3.96Å
144T86.8Confident78.7Confident2 Ų232.1 Ų32.11%0.01217%0.167CC..  trans-130.4125.6173.4-66.20000109.6N122 V150 T246N122-T144 PolarHBondContact ND2-O 3.32Å; T144-V150 HydrophobicContact CG2-CG2 4.02Å; T144-T246 HydrophobicContact CG2-CG2 3.98Å; T144-T246 WeakPolarHBondContact OG1-CB 3.25Å; T144-T246 PolarHBondContact OG1-OG1 3.45Å
145S80.8Confident76.4Confident0 Ų035.2 Ų35.20%018%0.182CC..  trans-88.8-30.4177.559.20000113.7L221 S222 M250S145-L221 PolarHBondContact O-N 2.72Å; S145-L221 VanDerWaalsContact O-N 3.09Å; S145-S222 WeakPolarHBondContact CB-OG 3.46Å; S145-S222 PolarHBondContact OG-OG 3.21Å; S145-M250 WeakPolarHBondContact OG-CB 3.49Å
146T78.3Confident74.1Confident18 Ų1839.4 Ų39.411%0.1121%0.205CC..  trans-80.8156.1-17260.50000111.9A148 R218 D220 S222 T249T146-A148 WeakPolarHBondContact CB-O 3.28Å; T146-A148 PolarHBondContact OG1-O 2.87Å; T146-R218 VanDerWaalsContact O-CZ 3.3Å; T146-R218 PolarHBondContact O-NE 3.03Å; T146-R218 VanDerWaalsContact O-NE 3.17Å; T146-R218 PolarHBondContact O-NH2 3.45Å; T146-D220 WeakPolarHBondContact CA-OD2 3.36Å; T146-S222 WeakPolarHBondContact CG2-OG 3.07Å; T146-T249 HydrophobicContact CG2-CG2 4.04Å
147T69.6Low71.7Confident66 Ų6638.9 Ų38.941%0.40520%0.202SC..SBendtrans-85.1-39.7164.855.80000111R218 D220T147-R218 HydrophobicContact CG2-CG 4.41Å; T147-R218 WeakPolarHBondContact CG2-O 3.08Å; T147-D220 HydrophobicContact CG2-CB 4.11Å; T147-D220 PolarHBondContact N-OD2 2.89Å
148A53.5Low69.4Low60 Ų6040.4 Ų40.450%0.49621%0.212SC..THydrogen-bonded Turntrans-74.9144.3177.300000111.9T146T146-A148 WeakPolarHBondContact CB-O 3.28Å; T146-A148 PolarHBondContact OG1-O 2.87Å
149G53.4Low66.8Low28 Ų2846.4 Ų46.429%0.28924%0.242SC..THydrogen-bonded Turntrans111.8-52.4174.400000114Y153G149-Y153 WeakPolarHBondContact O-CB 3.48Å; G149-Y153 PolarHBondContact O-N 2.77Å
150V52Low64.2Low19 Ų1953.8 Ų53.812%0.11528%0.276CS..Hα-helixtrans-65.5-49179.5-1800000110.1T144 I154 Y175 T246T144-V150 HydrophobicContact CG2-CG2 4.02Å; V150-I154 HydrophobicContact CG1-CD1 3.56Å; V150-I154 VanDerWaalsContact O-CB 3.23Å; V150-I154 WeakPolarHBondContact O-CB 3.48Å; V150-I154 VanDerWaalsContact O-CD1 3.25Å; V150-I154 WeakPolarHBondContact O-CD1 3.42Å; V150-I154 WeakPolarHBondContact O-CG1 3.31Å; V150-I154 PolarHBondContact O-N 3.25Å; V150-Y175 HydrophobicContact CG1-CE2 3.77Å; V150-T246 HydrophobicContact CG2-CG2 4.36Å
151F52.5Low61.8Low79 Ų7956.8 Ų56.835%0.34629%0.288SS..Hα-helixtrans-78-39.8-175.7-174.3-130.1000114.7Y153 I154 K155 M216F151-Y153 VanDerWaalsContact C-N 3.35Å; F151-I154 PolarHBondContact O-N 3.01Å; F151-K155 HydrophobicContact CD1-CD 3.72Å; F151-K155 HydrophobicContact CD1-CG 4.26Å; F151-K155 HydrophobicContact CD2-CD 4.27Å; F151-K155 HydrophobicContact CD2-CG 3.92Å; F151-K155 HydrophobicContact CE1-CD 3.37Å; F151-K155 HydrophobicContact CE1-CG 4.05Å; F151-K155 HydrophobicContact CE2-CD 3.94Å; F151-K155 HydrophobicContact CE2-CG 3.64Å; F151-K155 HydrophobicContact CG-CD 4.22Å; F151-K155 HydrophobicContact CG-CG 4.28Å; F151-K155 HydrophobicContact CZ-CD 3.51Å; F151-K155 HydrophobicContact CZ-CG 3.76Å; F151-K155 VanDerWaalsContact O-CB 3.28Å; F151-K155 WeakPolarHBondContact O-CB 3.3Å; F151-K155 PolarHBondContact O-N 3.42Å; F151-M216 HydrophobicContact CB-CE 3.67Å; F151-M216 HydrophobicContact CD1-CE 4.34Å; F151-M216 HydrophobicContact CD2-CE 3.37Å; F151-M216 HydrophobicContact CE2-CE 3.9Å; F151-M216 HydrophobicContact CG-CE 3.58Å
152E54.3Low58.9Low134 Ų13466.5 Ų66.563%0.62633%0.33SS*.Hα-helixtrans-64.3-43.1177.5-71.9-173.6156.900110.6I154 K155 D156E152-I154 VanDerWaalsContact C-N 3.33Å; E152-I154 PolarHBondContact O-N 2.77Å; E152-K155 PolarHBondContact O-N 3.38Å; E152-D156 WeakPolarHBondContact O-CB 3.41Å; E152-D156 PolarHBondContact O-N 2.99Å
153Y48.8Very low56.2Low114 Ų11471.5 Ų71.545%0.44736%0.356SS..Hα-helixtrans-62.8-38.6174.3-172.1-98.8000112.7G149 F151 K157 F178G149-Y153 WeakPolarHBondContact O-CB 3.48Å; G149-Y153 PolarHBondContact O-N 2.77Å; F151-Y153 VanDerWaalsContact C-N 3.35Å; Y153-K157 HydrophobicContact CD1-CD 4.31Å; Y153-K157 HydrophobicContact CE1-CD 3.73Å; Y153-K157 HydrophobicContact CE2-CD 4.46Å; Y153-K157 WeakPolarHBondContact O-CB 3.44Å; Y153-K157 WeakPolarHBondContact O-CG 3.36Å; Y153-K157 PolarHBondContact O-N 3.09Å; Y153-K157 VanDerWaalsContact O-N 3.15Å; Y153-K157 WeakPolarHBondContact OH-CE 3.42Å; Y153-K157 PolarHBondContact OH-NZ 2.93Å; Y153-F178 AromaticContact CD1-CE1 3.98Å; Y153-F178 HydrophobicContact CD1-CE1 3.98Å; Y153-F178 AromaticContact CD1-CE2 3.91Å; Y153-F178 HydrophobicContact CD1-CE2 3.91Å; Y153-F178 AromaticContact CD1-CZ 3.36Å; Y153-F178 HydrophobicContact CD1-CZ 3.36Å; Y153-F178 HydrophobicContact CE1-CE1 4.19Å; Y153-F178 AromaticContact CE1-CE2 3.38Å; Y153-F178 HydrophobicContact CE1-CE2 3.38Å; Y153-F178 AromaticContact CE1-CZ 3.14Å; Y153-F178 HydrophobicContact CE1-CZ 3.14Å
154I49.1Very low53.3Low8 Ų876.2 Ų76.24%0.04139%0.389CS..Hα-helixtrans-73.5-44.7177.7-71.6171.5000111.6V150 F151 E152 D156 K157 V158 Y175 F178V150-I154 HydrophobicContact CG1-CD1 3.56Å; V150-I154 VanDerWaalsContact O-CB 3.23Å; V150-I154 WeakPolarHBondContact O-CB 3.48Å; V150-I154 VanDerWaalsContact O-CD1 3.25Å; V150-I154 WeakPolarHBondContact O-CD1 3.42Å; V150-I154 WeakPolarHBondContact O-CG1 3.31Å; V150-I154 PolarHBondContact O-N 3.25Å; F151-I154 PolarHBondContact O-N 3.01Å; E152-I154 VanDerWaalsContact C-N 3.33Å; E152-I154 PolarHBondContact O-N 2.77Å; I154-D156 VanDerWaalsContact C-N 3.31Å; I154-D156 PolarHBondContact O-N 3.3Å; I154-K157 PolarHBondContact O-N 3.46Å; I154-V158 HydrophobicContact CG2-CG2 3.61Å; I154-V158 WeakPolarHBondContact O-CB 3.14Å; I154-V158 WeakPolarHBondContact O-CG2 3.44Å; I154-V158 PolarHBondContact O-N 2.96Å; I154-Y175 HydrophobicContact CD1-CD2 3.34Å; I154-Y175 HydrophobicContact CD1-CE2 3.53Å; I154-Y175 HydrophobicContact CD1-CG 4.41Å; I154-F178 HydrophobicContact CD1-CD1 3.52Å; I154-F178 HydrophobicContact CD1-CE1 3.89Å; I154-F178 HydrophobicContact CG1-CD1 3.3Å; I154-F178 HydrophobicContact CG1-CE1 3.55Å; I154-F178 HydrophobicContact CG1-CG 4.07Å
155K49.6Very low50.7Low103 Ų10381.3 Ų81.345%0.44843%0.425SS..Hα-helixtrans-55.4-50.7176.4-92.3179.6150.9168.20109.9F151 E152 K157 V158 I159F151-K155 HydrophobicContact CD1-CD 3.72Å; F151-K155 HydrophobicContact CD1-CG 4.26Å; F151-K155 HydrophobicContact CD2-CD 4.27Å; F151-K155 HydrophobicContact CD2-CG 3.92Å; F151-K155 HydrophobicContact CE1-CD 3.37Å; F151-K155 HydrophobicContact CE1-CG 4.05Å; F151-K155 HydrophobicContact CE2-CD 3.94Å; F151-K155 HydrophobicContact CE2-CG 3.64Å; F151-K155 HydrophobicContact CG-CD 4.22Å; F151-K155 HydrophobicContact CG-CG 4.28Å; F151-K155 HydrophobicContact CZ-CD 3.51Å; F151-K155 HydrophobicContact CZ-CG 3.76Å; F151-K155 VanDerWaalsContact O-CB 3.28Å; F151-K155 WeakPolarHBondContact O-CB 3.3Å; F151-K155 PolarHBondContact O-N 3.42Å; E152-K155 PolarHBondContact O-N 3.38Å; K155-K157 PolarHBondContact O-N 2.92Å; K155-V158 PolarHBondContact O-N 3.44Å; K155-I159 HydrophobicContact CB-CD1 4.48Å; K155-I159 VanDerWaalsContact O-CB 3.24Å; K155-I159 WeakPolarHBondContact O-CB 3.38Å; K155-I159 VanDerWaalsContact O-CD1 3.25Å; K155-I159 WeakPolarHBondContact O-CD1 3.31Å; K155-I159 WeakPolarHBondContact O-CG1 3.47Å; K155-I159 PolarHBondContact O-N 3.19Å
156D50.8Low48.4Very low101 Ų10188.9 Ų88.954%0.5447%0.471SS..Hα-helixtrans-60.9-45.6-179.8-73.7-4.2000111E152 I154 H160E152-D156 WeakPolarHBondContact O-CB 3.41Å; E152-D156 PolarHBondContact O-N 2.99Å; I154-D156 VanDerWaalsContact C-N 3.31Å; I154-D156 PolarHBondContact O-N 3.3Å; D156-H160 PolarHBondContact O-CD2 2.71Å; D156-H160 PolarHBondContact O-N 2.84Å; D156-H160 VanDerWaalsContact O-N 3.15Å
157K48.3Very low46.4Very low77 Ų7789.9 Ų89.934%0.33549%0.485SS..Hα-helixtrans-73.2-35.2-179.8-73.2-162.8170.5-166.90115.1Y153 I154 K155 H160 R161 F178Y153-K157 HydrophobicContact CD1-CD 4.31Å; Y153-K157 HydrophobicContact CE1-CD 3.73Å; Y153-K157 HydrophobicContact CE2-CD 4.46Å; Y153-K157 WeakPolarHBondContact O-CB 3.44Å; Y153-K157 WeakPolarHBondContact O-CG 3.36Å; Y153-K157 PolarHBondContact O-N 3.09Å; Y153-K157 VanDerWaalsContact O-N 3.15Å; Y153-K157 WeakPolarHBondContact OH-CE 3.42Å; Y153-K157 PolarHBondContact OH-NZ 2.93Å; I154-K157 PolarHBondContact O-N 3.46Å; K155-K157 PolarHBondContact O-N 2.92Å; K157-H160 PolarHBondContact O-N 3.38Å; K157-R161 PolarHBondContact O-N 2.89Å; K157-F178 HydrophobicContact CD-CE2 4.3Å
158V48.7Very low45.1Very low33 Ų3393.9 Ų93.920%0.250%0.501CS..Hα-helixtrans-71.8-35.6176.51730000110.1I154 K155 H160 R161 D174I154-V158 HydrophobicContact CG2-CG2 3.61Å; I154-V158 WeakPolarHBondContact O-CB 3.14Å; I154-V158 WeakPolarHBondContact O-CG2 3.44Å; I154-V158 PolarHBondContact O-N 2.96Å; K155-V158 PolarHBondContact O-N 3.44Å; V158-H160 VanDerWaalsContact C-N 3.28Å; V158-H160 PolarHBondContact O-N 3.44Å; V158-R161 CarbonylContact O-C 3.12Å; V158-R161 PolarHBondContact O-N 3.1Å; V158-R161 VanDerWaalsContact O-N 3.13Å; V158-D174 HydrophobicContact CG1-CB 4.34Å; V158-D174 HydrophobicContact CG2-CB 4.05Å
159I45.5Very low45.5Very low125 Ų12595.7 Ų95.764%0.64150%0.502SS*.Hα-helixtrans-63.5-35.5170.9-69.5164.4000111K155 R161K155-I159 HydrophobicContact CB-CD1 4.48Å; K155-I159 VanDerWaalsContact O-CB 3.24Å; K155-I159 WeakPolarHBondContact O-CB 3.38Å; K155-I159 VanDerWaalsContact O-CD1 3.25Å; K155-I159 WeakPolarHBondContact O-CD1 3.31Å; K155-I159 WeakPolarHBondContact O-CG1 3.47Å; K155-I159 PolarHBondContact O-N 3.19Å; I159-R161 VanDerWaalsContact C-N 3.34Å
160H43.7Very low46Very low156 Ų15699 Ų9972%0.72251%0.51SS*.Hα-helixtrans-73.6-21.7173.9-71.3-54000114D156 K157 V158 K162D156-H160 PolarHBondContact O-CD2 2.71Å; D156-H160 PolarHBondContact O-N 2.84Å; D156-H160 VanDerWaalsContact O-N 3.15Å; K157-H160 PolarHBondContact O-N 3.38Å; V158-H160 VanDerWaalsContact C-N 3.28Å; V158-H160 PolarHBondContact O-N 3.44Å; H160-K162 PolarHBondContact O-N 3.21Å
161R47.9Very low46.8Very low63 Ų63102.1 Ų102.124%0.23853%0.53CS..SBendtrans-80.299167.3-76.8-172.8166.3149.5-1.5109K157 V158 I159 L163 D186K157-R161 PolarHBondContact O-N 2.89Å; V158-R161 CarbonylContact O-C 3.12Å; V158-R161 PolarHBondContact O-N 3.1Å; V158-R161 VanDerWaalsContact O-N 3.13Å; I159-R161 VanDerWaalsContact C-N 3.34Å; R161-L163 VanDerWaalsContact C-N 3.31Å; R161-L163 PolarHBondContact O-N 2.76Å; R161-D186 IonicContact CZ-OD1 3.69Å; R161-D186 IonicContact NE-OD1 3.77Å; R161-D186 IonicContact NH2-OD1 2.88Å; R161-D186 PolarHBondContact NH2-OD1 3.17Å
162K35.9Very low47.8Very low204 Ų20499 Ų9989%0.88752%0.517SS*.  trans-55.588.9168.6-75.6-179.3174.4178.30111H160H160-K162 PolarHBondContact O-N 3.21Å
163L38.7Very low49Very low111 Ų11193.4 Ų93.458%0.58149%0.49SS*.  trans-132.189.3170.8-87.9159000109.8R161R161-L163 VanDerWaalsContact C-N 3.31Å; R161-L163 PolarHBondContact O-N 2.76Å
164S30.4Very low50.3Low100 Ų10088.7 Ų88.770%0.69947%0.473SS*.  trans14.2118.9141-41.90000118.7
165S33.5Very low51.6Low109 Ų10988.7 Ų88.776%0.76247%0.472SS*.SBendtrans62.9115.6151.663.40000120.1G167S165-G167 PolarHBondContact O-N 2.77Å
166V32.5Very low53.1Low158 Ų15883.9 Ų83.996%0.95845%0.451SS*.  trans-17.4107.5156.4-175.20000115
167G35.6Very low54.5Low40 Ų4080.1 Ų80.141%0.41243%0.431SS..  trans-170.8124163.900000109.1S165 N169 Q170S165-G167 PolarHBondContact O-N 2.77Å; G167-N169 PolarHBondContact O-N 3.48Å; G167-Q170 PolarHBondContact O-N 3.22Å; G167-Q170 VanDerWaalsContact O-N 3.13Å
168M42.7Very low55.8Low150 Ų15077 Ų7774%0.73942%0.417SS*.Hα-helixtrans-55-14.7-174-159.3161.4141.900113.8
169N61.8Low57.1Low97 Ų9776.4 Ų76.452%0.51941%0.412SS..Hα-helixtrans-84.1-25.9-178.7-64.41.7000114.5G167 W173G167-N169 PolarHBondContact O-N 3.48Å; N169-W173 PolarHBondContact O-NE1 3.14Å
170Q64.1Low58.7Low99 Ų9974.2 Ų74.246%0.46340%0.398SS..Hα-helixtrans-76.8-38-177.7-77-69.125.100112.9G167 T172 W173 D174G167-Q170 PolarHBondContact O-N 3.22Å; G167-Q170 VanDerWaalsContact O-N 3.13Å; Q170-T172 PolarHBondContact O-N 3.03Å; Q170-T172 VanDerWaalsContact O-N 3.17Å; Q170-W173 PolarHBondContact O-N 2.84Å; Q170-D174 PolarHBondContact O-N 2.89Å
171T68.5Low60.1Low84 Ų8469.3 Ų69.352%0.51538%0.375SS..Hα-helixtrans-55.7-37.1177.3-44.20000112.3Y175T171-Y175 VanDerWaalsContact O-CB 3.31Å; T171-Y175 WeakPolarHBondContact O-CB 3.39Å; T171-Y175 PolarHBondContact O-N 2.95Å
172T72.5Confident61.1Low13 Ų1366.7 Ų66.78%0.0837%0.367CS..Hα-helixtrans-63.9-46.5175.4-56.70000111.3Q170 Y175 L176 L208 L212Q170-T172 PolarHBondContact O-N 3.03Å; Q170-T172 VanDerWaalsContact O-N 3.17Å; T172-Y175 WeakPolarHBondContact O-CB 3.13Å; T172-Y175 PolarHBondContact O-N 2.8Å; T172-L176 HydrophobicContact CG2-CD1 4.13Å; T172-L176 WeakPolarHBondContact O-CG 3.11Å; T172-L176 PolarHBondContact O-N 3.49Å; T172-L208 HydrophobicContact CG2-CG 4.28Å; T172-L212 HydrophobicContact CG2-CD2 3.81Å
173W80.5Confident62.3Low16 Ų1658.8 Ų58.86%0.06134%0.344CS..Hα-helixtrans-65.9-42.2177.4-62.4118000112N169 Q170 Y175 L176 I177 V196 L199 K200 P205 L208N169-W173 PolarHBondContact O-NE1 3.14Å; Q170-W173 PolarHBondContact O-N 2.84Å; W173-Y175 VanDerWaalsContact C-N 3.32Å; W173-Y175 PolarHBondContact O-N 3.04Å; W173-L176 HydrophobicContact CE3-CD1 3.84Å; W173-L176 HydrophobicContact CZ3-CD1 3.97Å; W173-L176 PolarHBondContact O-N 3.23Å; W173-L176 VanDerWaalsContact O-N 3.17Å; W173-I177 WeakPolarHBondContact O-CD1 3.38Å; W173-I177 WeakPolarHBondContact O-CG1 3.46Å; W173-I177 PolarHBondContact O-N 3.37Å; W173-V196 HydrophobicContact CD2-CG1 4.35Å; W173-V196 HydrophobicContact CE3-CG1 4.08Å; W173-L199 HydrophobicContact CH2-CB 4.27Å; W173-L199 HydrophobicContact CZ3-CB 3.75Å; W173-L199 HydrophobicContact CZ3-CD1 4.12Å; W173-K200 HydrophobicContact CH2-CB 4.45Å; W173-K200 HydrophobicContact CH2-CD 4.49Å; W173-K200 HydrophobicContact CH2-CG 3.42Å; W173-K200 VanDerWaalsContact CH2-CG 3.42Å; W173-K200 HydrophobicContact CZ2-CD 4.19Å; W173-K200 HydrophobicContact CZ2-CG 3.46Å; W173-K200 VanDerWaalsContact CZ2-CG 3.46Å; W173-K200 HydrophobicContact CZ3-CG 4.18Å; W173-P205 HydrophobicContact CH2-CG 4.46Å; W173-P205 HydrophobicContact CZ2-CB 3.92Å; W173-P205 HydrophobicContact CZ2-CG 3.95Å; W173-L208 HydrophobicContact CH2-CD2 4.26Å; W173-L208 HydrophobicContact CZ3-CD2 4.26Å
174D75.4Confident63.1Low16 Ų1657.8 Ų57.89%0.08634%0.342CS..Hα-helixtrans-60.6-43.6176.6-69.8-33.4000111.5V158 Q170 F178V158-D174 HydrophobicContact CG1-CB 4.34Å; V158-D174 HydrophobicContact CG2-CB 4.05Å; Q170-D174 PolarHBondContact O-N 2.89Å; D174-F178 VanDerWaalsContact O-CB 3.28Å; D174-F178 WeakPolarHBondContact O-CB 3.35Å; D174-F178 PolarHBondContact O-N 3.41Å
175Y77.3Confident64.1Low7 Ų753.3 Ų53.33%0.02731%0.312CS..Hα-helixtrans-56.4-52.9172.1175.3-86.6000110.5I44 V150 I154 T171 T172 W173 I177 F178 H179 L212 F215I44-Y175 HydrophobicContact CD1-CE1 4.45Å; V150-Y175 HydrophobicContact CG1-CE2 3.77Å; I154-Y175 HydrophobicContact CD1-CD2 3.34Å; I154-Y175 HydrophobicContact CD1-CE2 3.53Å; I154-Y175 HydrophobicContact CD1-CG 4.41Å; T171-Y175 VanDerWaalsContact O-CB 3.31Å; T171-Y175 WeakPolarHBondContact O-CB 3.39Å; T171-Y175 PolarHBondContact O-N 2.95Å; T172-Y175 WeakPolarHBondContact O-CB 3.13Å; T172-Y175 PolarHBondContact O-N 2.8Å; W173-Y175 VanDerWaalsContact C-N 3.32Å; W173-Y175 PolarHBondContact O-N 3.04Å; Y175-I177 PolarHBondContact O-N 3.42Å; Y175-F178 PolarHBondContact O-N 3.15Å; Y175-H179 HydrophobicContact CD1-CB 4.27Å; Y175-H179 HydrophobicContact CE1-CB 3.99Å; Y175-H179 AromaticContact CE1-CD2 3.77Å; Y175-H179 AromaticContact CE1-CG 3.96Å; Y175-H179 AromaticContact CZ-CD2 3.6Å; Y175-H179 WeakPolarHBondContact O-CB 3.25Å; Y175-H179 PolarHBondContact O-N 3.3Å; Y175-H179 PolarHBondContact OH-CD2 3.45Å; Y175-L212 HydrophobicContact CD1-CD1 3.51Å; Y175-L212 HydrophobicContact CD1-CD2 4.06Å; Y175-L212 HydrophobicContact CD1-CG 4.44Å; Y175-L212 HydrophobicContact CD2-CD1 3.97Å; Y175-L212 HydrophobicContact CE1-CD1 3.49Å; Y175-L212 VanDerWaalsContact CE1-CD1 3.49Å; Y175-L212 HydrophobicContact CE2-CD1 3.94Å; Y175-L212 HydrophobicContact CG-CD1 3.78Å; Y175-L212 HydrophobicContact CG-CD2 4.02Å; Y175-F215 VanDerWaalsContact OH-CE1 3.26Å; Y175-F215 WeakPolarHBondContact OH-CE1 3.38Å
176L81.1Confident65Low3 Ų353.8 Ų53.82%0.01631%0.306CS..Hα-helixtrans-62.7-41-176.1-70.9169.5000112.9I44 T172 W173 H179 K180 F195 L199 L208I44-L176 HydrophobicContact CG2-CD2 3.86Å; T172-L176 HydrophobicContact CG2-CD1 4.13Å; T172-L176 WeakPolarHBondContact O-CG 3.11Å; T172-L176 PolarHBondContact O-N 3.49Å; W173-L176 HydrophobicContact CE3-CD1 3.84Å; W173-L176 HydrophobicContact CZ3-CD1 3.97Å; W173-L176 PolarHBondContact O-N 3.23Å; W173-L176 VanDerWaalsContact O-N 3.17Å; L176-H179 PolarHBondContact O-N 3.13Å; L176-K180 VanDerWaalsContact O-CB 3.31Å; L176-K180 WeakPolarHBondContact O-CB 3.23Å; L176-K180 PolarHBondContact O-N 3.17Å; L176-F195 HydrophobicContact CB-CE1 4.39Å; L176-L199 HydrophobicContact CD1-CD1 4.07Å; L176-L208 HydrophobicContact CD1-CD2 3.5Å; L176-L208 HydrophobicContact CD1-CG 4.21Å
177I79.4Confident66.2Low22 Ų2253.5 Ų53.511%0.11329%0.294CS..Hα-helixtrans-62.6-50.5176.3-66.8162.7000109.6W173 Y175 H179 K180 F181 V192 V196W173-I177 WeakPolarHBondContact O-CD1 3.38Å; W173-I177 WeakPolarHBondContact O-CG1 3.46Å; W173-I177 PolarHBondContact O-N 3.37Å; Y175-I177 PolarHBondContact O-N 3.42Å; I177-H179 VanDerWaalsContact C-N 3.31Å; I177-H179 PolarHBondContact O-N 3.45Å; I177-K180 PolarHBondContact O-N 2.79Å; I177-F181 HydrophobicContact CG2-CD2 4.22Å; I177-F181 WeakPolarHBondContact O-CB 3.1Å; I177-F181 WeakPolarHBondContact O-CD2 3.44Å; I177-F181 PolarHBondContact O-N 3.47Å; I177-V192 HydrophobicContact CB-CG1 4.44Å; I177-V192 HydrophobicContact CD1-CG1 3.85Å; I177-V192 HydrophobicContact CG1-CG1 3.85Å; I177-V192 HydrophobicContact CG2-CG1 3.71Å; I177-V192 HydrophobicContact CG2-CG2 4.31Å; I177-V196 HydrophobicContact CD1-CG2 3.83Å; I177-V196 HydrophobicContact CG1-CG2 3.76Å
178F76.2Confident67.9Low11 Ų1155.2 Ų55.25%0.04829%0.294CS..Hα-helixtrans-62.1-41.6178.2170.9-94.1000111.7Y153 I154 K157 D174 Y175 G182Y153-F178 AromaticContact CD1-CE1 3.98Å; Y153-F178 HydrophobicContact CD1-CE1 3.98Å; Y153-F178 AromaticContact CD1-CE2 3.91Å; Y153-F178 HydrophobicContact CD1-CE2 3.91Å; Y153-F178 AromaticContact CD1-CZ 3.36Å; Y153-F178 HydrophobicContact CD1-CZ 3.36Å; Y153-F178 HydrophobicContact CE1-CE1 4.19Å; Y153-F178 AromaticContact CE1-CE2 3.38Å; Y153-F178 HydrophobicContact CE1-CE2 3.38Å; Y153-F178 AromaticContact CE1-CZ 3.14Å; Y153-F178 HydrophobicContact CE1-CZ 3.14Å; I154-F178 HydrophobicContact CD1-CD1 3.52Å; I154-F178 HydrophobicContact CD1-CE1 3.89Å; I154-F178 HydrophobicContact CG1-CD1 3.3Å; I154-F178 HydrophobicContact CG1-CE1 3.55Å; I154-F178 HydrophobicContact CG1-CG 4.07Å; K157-F178 HydrophobicContact CD-CE2 4.3Å; D174-F178 VanDerWaalsContact O-CB 3.28Å; D174-F178 WeakPolarHBondContact O-CB 3.35Å; D174-F178 PolarHBondContact O-N 3.41Å; Y175-F178 PolarHBondContact O-N 3.15Å; F178-G182 WeakPolarHBondContact O-CA 3.22Å; F178-G182 PolarHBondContact O-N 3.05Å
179H76.6Confident69.6Low20 Ų2051.7 Ų51.79%0.09329%0.289CS..Hα-helixtrans-61.6-46.7-179.4-173-83.5000111.3D43 Y175 L176 I177 S242 H243D43-H179 IonicContact OD2-CE1 2.87Å; D43-H179 PolarHBondContact OD2-CE1 3.05Å; D43-H179 IonicContact OD2-ND1 2.77Å; D43-H179 IonicContact OD2-NE2 2.61Å; Y175-H179 HydrophobicContact CD1-CB 4.27Å; Y175-H179 HydrophobicContact CE1-CB 3.99Å; Y175-H179 AromaticContact CE1-CD2 3.77Å; Y175-H179 AromaticContact CE1-CG 3.96Å; Y175-H179 AromaticContact CZ-CD2 3.6Å; Y175-H179 WeakPolarHBondContact O-CB 3.25Å; Y175-H179 PolarHBondContact O-N 3.3Å; Y175-H179 PolarHBondContact OH-CD2 3.45Å; L176-H179 PolarHBondContact O-N 3.13Å; I177-H179 VanDerWaalsContact C-N 3.31Å; I177-H179 PolarHBondContact O-N 3.45Å; H179-S242 PolarHBondContact O-OG 2.86Å; H179-H243 AromaticContact CD2-NE2 3.65Å; H179-H243 AromaticContact CE1-CE1 3.46Å; H179-H243 PolarHBondContact CE1-CE1 3.01Å; H179-H243 VanDerWaalsContact CE1-CE1 3.46Å; H179-H243 AromaticContact CE1-NE2 3.29Å; H179-H243 PolarHBondContact CE1-NE2 2.99Å; H179-H243 VanDerWaalsContact CE1-NE2 3.29Å; H179-H243 AromaticContact NE2-CE1 3.43Å; H179-H243 PolarHBondContact NE2-CE1 2.97Å; H179-H243 AromaticContact NE2-NE2 2.82Å; H179-H243 PolarHBondContact NE2-NE2 2.83Å
180K78.1Confident70.6Confident79 Ų7955.3 Ų55.334%0.34330%0.302SS..Hα-helixtrans-75.1-43.8-178.5-174.463.8169.3-172.50113.6L176 I177 F195 D269L176-K180 VanDerWaalsContact O-CB 3.31Å; L176-K180 WeakPolarHBondContact O-CB 3.23Å; L176-K180 PolarHBondContact O-N 3.17Å; I177-K180 PolarHBondContact O-N 2.79Å; K180-F195 HydrophobicContact CB-CE1 3.95Å; K180-F195 HydrophobicContact CB-CE2 4.4Å; K180-F195 HydrophobicContact CB-CZ 3.78Å; K180-F195 HydrophobicContact CD-CE2 4.19Å; K180-F195 HydrophobicContact CD-CZ 4.31Å; K180-F195 HydrophobicContact CG-CD2 4.33Å; K180-F195 HydrophobicContact CG-CE1 4.2Å; K180-F195 HydrophobicContact CG-CE2 3.88Å; K180-F195 HydrophobicContact CG-CZ 3.78Å; K180-D269 IonicContact NZ-OD2 3.58Å; K180-D269 PolarHBondContact NZ-OD2 3.36Å
181F73.7Confident71.3Confident54 Ų5456.3 Ų56.324%0.23731%0.305CS..Hα-helixtrans-106-3.1-171.3-62.2-75.7000114I177 T184 K191 V192 F195I177-F181 HydrophobicContact CG2-CD2 4.22Å; I177-F181 WeakPolarHBondContact O-CB 3.1Å; I177-F181 WeakPolarHBondContact O-CD2 3.44Å; I177-F181 PolarHBondContact O-N 3.47Å; F181-T184 PolarHBondContact O-OG1 3.1Å; F181-T184 VanDerWaalsContact O-OG1 3.11Å; F181-K191 HydrophobicContact CE1-CB 4.36Å; F181-K191 HydrophobicContact CZ-CB 4.47Å; F181-V192 HydrophobicContact CD2-CG2 3.94Å; F181-V192 HydrophobicContact CE2-CB 4.44Å; F181-V192 HydrophobicContact CE2-CG2 3.96Å; F181-V192 HydrophobicContact CG-CG2 4.4Å; F181-V192 HydrophobicContact CZ-CG2 4.42Å; F181-F195 HydrophobicContact CE2-CB 3.91Å; F181-F195 AromaticContact CE2-CD1 3.71Å; F181-F195 HydrophobicContact CE2-CD1 3.71Å; F181-F195 HydrophobicContact CE2-CE1 4.39Å; F181-F195 AromaticContact CE2-CG 3.87Å; F181-F195 HydrophobicContact CE2-CG 3.87Å; F181-F195 HydrophobicContact CZ-CB 3.89Å; F181-F195 HydrophobicContact CZ-CD1 4.44Å; F181-F195 HydrophobicContact CZ-CG 4.14Å
182G69Low71.9Confident7 Ų753.3 Ų53.37%0.07229%0.287CS..G310 helixtrans61.2-149.5-173.800000112.9F178 T184F178-G182 WeakPolarHBondContact O-CA 3.22Å; F178-G182 PolarHBondContact O-N 3.05Å; G182-T184 VanDerWaalsContact C-N 3.31Å
183G60.6Low72.4Confident38 Ų3859.6 Ų59.639%0.39231%0.313SS..G310 helixtrans-75.5-14.5177.300000114.8
184T55.3Low72.6Confident90 Ų9065.3 Ų65.355%0.55234%0.34SS*.G310 helixtrans-92.96-175.150.20000113.4F181 G182 D186 E187F181-T184 PolarHBondContact O-OG1 3.1Å; F181-T184 VanDerWaalsContact O-OG1 3.11Å; G182-T184 VanDerWaalsContact C-N 3.31Å; T184-D186 PolarHBondContact O-N 2.91Å; T184-E187 PolarHBondContact O-N 3.3Å
185G52.4Low72.9Confident6 Ų666.1 Ų66.16%0.06234%0.343CS..G310 helixtrans-55.9-20.817900000114.3E187 V192G185-E187 PolarHBondContact O-N 3.06Å; G185-V192 WeakPolarHBondContact O-CG2 3.35Å
186D52.5Low73.3Confident120 Ų12066.6 Ų66.664%0.64235%0.346SS*.G310 helixtrans-65.9-23.3177.6-64-9.3000112.7R161 T184 N188R161-D186 IonicContact CZ-OD1 3.69Å; R161-D186 IonicContact NE-OD1 3.77Å; R161-D186 IonicContact NH2-OD1 2.88Å; R161-D186 PolarHBondContact NH2-OD1 3.17Å; T184-D186 PolarHBondContact O-N 2.91Å; D186-N188 VanDerWaalsContact C-N 3.3Å; D186-N188 PolarHBondContact O-N 3.15Å
187E57.5Low73.5Confident151 Ų15170.5 Ų70.571%0.70637%0.368SS*.G310 helixtrans-75.9-12.6-175.5-64.6-175.5172.500113.9T184 G185T184-E187 PolarHBondContact O-N 3.3Å; G185-E187 PolarHBondContact O-N 3.06Å
188N71.6Confident73.8Confident77 Ų7772.3 Ų72.341%0.41238%0.377SS..G310 helixtrans-145.569.1-178.8-75.7-56.7000112.6D186 E190 K191 V192D186-N188 VanDerWaalsContact C-N 3.3Å; D186-N188 PolarHBondContact O-N 3.15Å; N188-E190 PolarHBondContact O-N 3.42Å; N188-K191 HydrophobicContact CB-CB 3.92Å; N188-K191 HydrophobicContact CB-CD 3.72Å; N188-K191 HydrophobicContact CB-CG 3.85Å; N188-K191 PolarHBondContact ND2-NZ 2.73Å; N188-K191 PolarHBondContact O-N 3.29Å; N188-V192 PolarHBondContact O-N 3.23Å; N188-V192 VanDerWaalsContact O-N 3.14Å
189A77.7Confident74.3Confident76 Ų7672.1 Ų72.163%0.62838%0.377SS*.Hα-helixtrans-50.4-34178.900000113.9K193A189-K193 WeakPolarHBondContact O-CB 3.24Å; A189-K193 PolarHBondContact O-N 3.46Å
190E82.5Confident74.8Confident172 Ų17276.1 Ų76.180%0.80439%0.394SS*.Hα-helixtrans-67.4-43176.3-64.5-173.7158.800113N188 V192 K193 H194N188-E190 PolarHBondContact O-N 3.42Å; E190-V192 VanDerWaalsContact C-N 3.31Å; E190-V192 PolarHBondContact O-N 2.81Å; E190-K193 PolarHBondContact O-N 2.79Å; E190-H194 WeakPolarHBondContact O-CB 3.44Å; E190-H194 PolarHBondContact O-N 2.82Å
191K79.5Confident75.3Confident121 Ų12178.8 Ų78.853%0.52641%0.412SS..Hα-helixtrans-63.3-41.4176.3-67.9-176.9-174.6169.70110.9F181 N188 H194 F195F181-K191 HydrophobicContact CE1-CB 4.36Å; F181-K191 HydrophobicContact CZ-CB 4.47Å; N188-K191 HydrophobicContact CB-CB 3.92Å; N188-K191 HydrophobicContact CB-CD 3.72Å; N188-K191 HydrophobicContact CB-CG 3.85Å; N188-K191 PolarHBondContact ND2-NZ 2.73Å; N188-K191 PolarHBondContact O-N 3.29Å; K191-H194 PolarHBondContact O-N 2.88Å; K191-F195 WeakPolarHBondContact O-CB 3.35Å; K191-F195 PolarHBondContact O-N 3.49Å
192V80.4Confident76.1Confident21 Ų2179.9 Ų79.913%0.12742%0.417CS..Hα-helixtrans-62.2-48.5176175.20000110.8I177 F181 G185 N188 E190 H194 F195 V196I177-V192 HydrophobicContact CB-CG1 4.44Å; I177-V192 HydrophobicContact CD1-CG1 3.85Å; I177-V192 HydrophobicContact CG1-CG1 3.85Å; I177-V192 HydrophobicContact CG2-CG1 3.71Å; I177-V192 HydrophobicContact CG2-CG2 4.31Å; F181-V192 HydrophobicContact CD2-CG2 3.94Å; F181-V192 HydrophobicContact CE2-CB 4.44Å; F181-V192 HydrophobicContact CE2-CG2 3.96Å; F181-V192 HydrophobicContact CG-CG2 4.4Å; F181-V192 HydrophobicContact CZ-CG2 4.42Å; G185-V192 WeakPolarHBondContact O-CG2 3.35Å; N188-V192 PolarHBondContact O-N 3.23Å; N188-V192 VanDerWaalsContact O-N 3.14Å; E190-V192 VanDerWaalsContact C-N 3.31Å; E190-V192 PolarHBondContact O-N 2.81Å; V192-H194 PolarHBondContact O-N 2.86Å; V192-F195 PolarHBondContact O-N 2.8Å; V192-V196 WeakPolarHBondContact O-CG2 3.25Å; V192-V196 PolarHBondContact O-N 3.47Å
193K84.1Confident77.3Confident144 Ų14479.8 Ų79.863%0.62642%0.415SS*.Hα-helixtrans-61.2-43.3178.2-173.7179.1179.5-177.50111.9A189 E190 V196 N197A189-K193 WeakPolarHBondContact O-CB 3.24Å; A189-K193 PolarHBondContact O-N 3.46Å; E190-K193 PolarHBondContact O-N 2.79Å; K193-V196 PolarHBondContact O-N 2.94Å; K193-N197 WeakPolarHBondContact O-CB 3.47Å; K193-N197 PolarHBondContact O-N 2.95Å
194H83.4Confident78.8Confident137 Ų13779 Ų7963%0.63440%0.402SS*.Hα-helixtrans-62.9-44.8177.1-176.671.7000111.7E190 K191 V192 N197 N198E190-H194 WeakPolarHBondContact O-CB 3.44Å; E190-H194 PolarHBondContact O-N 2.82Å; K191-H194 PolarHBondContact O-N 2.88Å; V192-H194 PolarHBondContact O-N 2.86Å; H194-N197 PolarHBondContact O-N 2.84Å; H194-N198 WeakPolarHBondContact O-CB 3.43Å; H194-N198 PolarHBondContact O-N 3.28Å
195F82.7Confident80.5Confident32 Ų3277 Ų7714%0.1439%0.39CS..Hα-helixtrans-57.5-52.3175.5173.4-109.1000111.8L176 K180 F181 K191 V192 N197 N198 L199L176-F195 HydrophobicContact CB-CE1 4.39Å; K180-F195 HydrophobicContact CB-CE1 3.95Å; K180-F195 HydrophobicContact CB-CE2 4.4Å; K180-F195 HydrophobicContact CB-CZ 3.78Å; K180-F195 HydrophobicContact CD-CE2 4.19Å; K180-F195 HydrophobicContact CD-CZ 4.31Å; K180-F195 HydrophobicContact CG-CD2 4.33Å; K180-F195 HydrophobicContact CG-CE1 4.2Å; K180-F195 HydrophobicContact CG-CE2 3.88Å; K180-F195 HydrophobicContact CG-CZ 3.78Å; F181-F195 HydrophobicContact CE2-CB 3.91Å; F181-F195 AromaticContact CE2-CD1 3.71Å; F181-F195 HydrophobicContact CE2-CD1 3.71Å; F181-F195 HydrophobicContact CE2-CE1 4.39Å; F181-F195 AromaticContact CE2-CG 3.87Å; F181-F195 HydrophobicContact CE2-CG 3.87Å; F181-F195 HydrophobicContact CZ-CB 3.89Å; F181-F195 HydrophobicContact CZ-CD1 4.44Å; F181-F195 HydrophobicContact CZ-CG 4.14Å; K191-F195 WeakPolarHBondContact O-CB 3.35Å; K191-F195 PolarHBondContact O-N 3.49Å; V192-F195 PolarHBondContact O-N 2.8Å; F195-N197 VanDerWaalsContact C-N 3.34Å; F195-N197 PolarHBondContact O-N 2.75Å; F195-N198 PolarHBondContact O-N 2.99Å; F195-L199 HydrophobicContact CD1-CD1 4.24Å; F195-L199 HydrophobicContact CD2-CG 4.4Å; F195-L199 HydrophobicContact CE1-CD1 3.6Å; F195-L199 HydrophobicContact CE1-CG 4.42Å; F195-L199 HydrophobicContact CE2-CD1 3.92Å; F195-L199 HydrophobicContact CE2-CD2 4.22Å; F195-L199 HydrophobicContact CE2-CG 4.08Å; F195-L199 HydrophobicContact CZ-CD1 3.44Å; F195-L199 VanDerWaalsContact CZ-CD1 3.44Å; F195-L199 HydrophobicContact CZ-CD2 4.49Å; F195-L199 HydrophobicContact CZ-CG 4.12Å; F195-L199 WeakPolarHBondContact O-CG 3.28Å; F195-L199 PolarHBondContact O-N 2.93Å
196V84.5Confident82.3Confident17 Ų1779.3 Ų79.310%0.10341%0.405CS..Hα-helixtrans-61.5-42.1179.7173.50000111.7W173 I177 V192 K193 L199 K200W173-V196 HydrophobicContact CD2-CG1 4.35Å; W173-V196 HydrophobicContact CE3-CG1 4.08Å; I177-V196 HydrophobicContact CD1-CG2 3.83Å; I177-V196 HydrophobicContact CG1-CG2 3.76Å; V192-V196 WeakPolarHBondContact O-CG2 3.25Å; V192-V196 PolarHBondContact O-N 3.47Å; K193-V196 PolarHBondContact O-N 2.94Å; V196-L199 PolarHBondContact O-N 3.19Å; V196-K200 HydrophobicContact CG1-CD 4.16Å; V196-K200 HydrophobicContact CG1-CG 4.5Å; V196-K200 WeakPolarHBondContact O-CG 3.17Å; V196-K200 PolarHBondContact O-N 3.32Å
197N86.5Confident84.3Confident86 Ų8673.7 Ų73.746%0.4638%0.375SS..Hα-helixtrans-63.9-44.5178-74.5-10.2000111.7K193 H194 F195 L199 K200 D201K193-N197 WeakPolarHBondContact O-CB 3.47Å; K193-N197 PolarHBondContact O-N 2.95Å; H194-N197 PolarHBondContact O-N 2.84Å; F195-N197 VanDerWaalsContact C-N 3.34Å; F195-N197 PolarHBondContact O-N 2.75Å; N197-L199 VanDerWaalsContact C-N 3.3Å; N197-L199 PolarHBondContact O-N 2.71Å; N197-K200 PolarHBondContact O-N 3.05Å; N197-D201 WeakPolarHBondContact O-CB 3.19Å; N197-D201 PolarHBondContact O-N 3.29Å
198N85.5Confident86Confident59 Ų5966.5 Ų66.532%0.31634%0.341SS..Hα-helixtrans-62.6-37.2176.3174.977.8000111.8H194 F195 K202H194-N198 WeakPolarHBondContact O-CB 3.43Å; H194-N198 PolarHBondContact O-N 3.28Å; F195-N198 PolarHBondContact O-N 2.99Å; N198-K202 WeakPolarHBondContact O-CG 3.05Å; N198-K202 PolarHBondContact O-N 3.08Å; N198-K202 VanDerWaalsContact OD1-CE 3.24Å; N198-K202 WeakPolarHBondContact OD1-CE 3.26Å
199L86.8Confident86.8Confident8 Ų864 Ų644%0.04233%0.33CS..Hα-helixtrans-67.4-40.9174.2-68.6-170.5000112.7G45 W173 L176 F195 V196 N197 D201 K202 L203G45-L199 WeakPolarHBondContact O-CD2 3.42Å; W173-L199 HydrophobicContact CH2-CB 4.27Å; W173-L199 HydrophobicContact CZ3-CB 3.75Å; W173-L199 HydrophobicContact CZ3-CD1 4.12Å; L176-L199 HydrophobicContact CD1-CD1 4.07Å; F195-L199 HydrophobicContact CD1-CD1 4.24Å; F195-L199 HydrophobicContact CD2-CG 4.4Å; F195-L199 HydrophobicContact CE1-CD1 3.6Å; F195-L199 HydrophobicContact CE1-CG 4.42Å; F195-L199 HydrophobicContact CE2-CD1 3.92Å; F195-L199 HydrophobicContact CE2-CD2 4.22Å; F195-L199 HydrophobicContact CE2-CG 4.08Å; F195-L199 HydrophobicContact CZ-CD1 3.44Å; F195-L199 VanDerWaalsContact CZ-CD1 3.44Å; F195-L199 HydrophobicContact CZ-CD2 4.49Å; F195-L199 HydrophobicContact CZ-CG 4.12Å; F195-L199 WeakPolarHBondContact O-CG 3.28Å; F195-L199 PolarHBondContact O-N 2.93Å; V196-L199 PolarHBondContact O-N 3.19Å; N197-L199 VanDerWaalsContact C-N 3.3Å; N197-L199 PolarHBondContact O-N 2.71Å; L199-D201 VanDerWaalsContact C-N 3.28Å; L199-D201 PolarHBondContact O-N 3.16Å; L199-K202 PolarHBondContact O-N 3.27Å; L199-L203 HydrophobicContact CD2-CD1 3.99Å; L199-L203 WeakPolarHBondContact O-CA 3.24Å; L199-L203 WeakPolarHBondContact O-CB 3.48Å; L199-L203 PolarHBondContact O-N 3.12Å
200K86.2Confident87.6Confident104 Ų10462.5 Ų62.545%0.45231%0.311SS..Hα-helixtrans-66.5-30.7177.7-75.9178.5178.5-179.90113.3W173 V196 N197W173-K200 HydrophobicContact CH2-CB 4.45Å; W173-K200 HydrophobicContact CH2-CD 4.49Å; W173-K200 HydrophobicContact CH2-CG 3.42Å; W173-K200 VanDerWaalsContact CH2-CG 3.42Å; W173-K200 HydrophobicContact CZ2-CD 4.19Å; W173-K200 HydrophobicContact CZ2-CG 3.46Å; W173-K200 VanDerWaalsContact CZ2-CG 3.46Å; W173-K200 HydrophobicContact CZ3-CG 4.18Å; V196-K200 HydrophobicContact CG1-CD 4.16Å; V196-K200 HydrophobicContact CG1-CG 4.5Å; V196-K200 WeakPolarHBondContact O-CG 3.17Å; V196-K200 PolarHBondContact O-N 3.32Å; N197-K200 PolarHBondContact O-N 3.05Å
201D88.9Confident88.2Confident134 Ų13454.3 Ų54.372%0.71727%0.273SS*.Hα-helixtrans-74-38.2178-170.959.6000111.6N197 L199N197-D201 WeakPolarHBondContact O-CB 3.19Å; N197-D201 PolarHBondContact O-N 3.29Å; L199-D201 VanDerWaalsContact C-N 3.28Å; L199-D201 PolarHBondContact O-N 3.16Å
202K91.3Very high88.7Confident77 Ų7749.2 Ų49.234%0.33525%0.251SS..Hα-helixtrans-93.8-46.9-174.9-66.7-174.6178.9-171.60114.2D79 G80 N198 L199D79-K202 CarbonylContact C-O 3.52Å; D79-K202 WeakPolarHBondContact CA-O 3.29Å; G80-K202 PolarHBondContact N-O 3.27Å; N198-K202 WeakPolarHBondContact O-CG 3.05Å; N198-K202 PolarHBondContact O-N 3.08Å; N198-K202 VanDerWaalsContact OD1-CE 3.24Å; N198-K202 WeakPolarHBondContact OD1-CE 3.26Å; L199-K202 PolarHBondContact O-N 3.27Å
203L93.1Very high89.1Confident6 Ų651 Ų513%0.03126%0.258CS..SBendtrans-101.6138.9-171.2-56.4-177.5000110.9N47 Q77 L199 P205 L208N47-L203 HydrophobicContact CB-CD2 4.28Å; Q77-L203 VanDerWaalsContact O-CD2 3.22Å; Q77-L203 WeakPolarHBondContact O-CD2 3.43Å; L199-L203 HydrophobicContact CD2-CD1 3.99Å; L199-L203 WeakPolarHBondContact O-CA 3.24Å; L199-L203 WeakPolarHBondContact O-CB 3.48Å; L199-L203 PolarHBondContact O-N 3.12Å; L203-P205 VanDerWaalsContact O-CD 3.25Å; L203-P205 WeakPolarHBondContact O-CD 3.48Å; L203-L208 HydrophobicContact CD1-CD1 4.45Å; L203-L208 HydrophobicContact CD1-CD2 4.37Å
204N93.1Very high89.5Confident22 Ų2244.7 Ų44.712%0.11823%0.232CC..  trans-69.6117.7172.3-173.6-60.1000110.5A81 T83 S206 N207 L208A81-N204 WeakPolarHBondContact O-CB 3.29Å; A81-N204 PolarHBondContact O-ND2 3.48Å; A81-N204 VanDerWaalsContact O-ND2 3.14Å; T83-N204 VanDerWaalsContact CA-ND2 3.35Å; T83-N204 WeakPolarHBondContact CA-ND2 3.31Å; T83-N204 PolarHBondContact N-ND2 3.31Å; T83-N204 VanDerWaalsContact N-ND2 3.2Å; T83-N204 PolarHBondContact OG1-ND2 2.94Å; N204-S206 VanDerWaalsContact C-N 3.29Å; N204-S206 PolarHBondContact O-N 2.83Å; N204-S206 VanDerWaalsContact OD1-CB 3.31Å; N204-S206 WeakPolarHBondContact OD1-CB 3.31Å; N204-S206 PolarHBondContact OD1-N 3.16Å; N204-N207 HydrophobicContact CB-CB 4.04Å; N204-N207 PolarHBondContact O-N 3.32Å; N204-N207 PolarHBondContact OD1-N 3.14Å; N204-N207 VanDerWaalsContact OD1-N 3.15Å; N204-L208 WeakPolarHBondContact O-CB 3.32Å; N204-L208 PolarHBondContact O-N 3.34Å
205P90.3Very high89.9Confident47 Ų4738.4 Ų38.431%0.30520%0.203SC..Hα-helixtrans-61.9-34.1-176.4-26.136.7000114.2W173 L203 S209W173-P205 HydrophobicContact CH2-CG 4.46Å; W173-P205 HydrophobicContact CZ2-CB 3.92Å; W173-P205 HydrophobicContact CZ2-CG 3.95Å; L203-P205 VanDerWaalsContact O-CD 3.25Å; L203-P205 WeakPolarHBondContact O-CD 3.48Å; P205-S209 PolarHBondContact O-N 3.47Å
206S91.1Very high90Very high55 Ų5539.9 Ų39.939%0.38521%0.211SC..Hα-helixtrans-67.2-48.4178.2-56.70000110.2N204 L208 S209 L210N204-S206 VanDerWaalsContact C-N 3.29Å; N204-S206 PolarHBondContact O-N 2.83Å; N204-S206 VanDerWaalsContact OD1-CB 3.31Å; N204-S206 WeakPolarHBondContact OD1-CB 3.31Å; N204-S206 PolarHBondContact OD1-N 3.16Å; S206-L208 VanDerWaalsContact C-N 3.33Å; S206-L208 PolarHBondContact O-N 2.86Å; S206-S209 PolarHBondContact O-N 2.97Å; S206-S209 PolarHBondContact O-OG 2.94Å; S206-L210 PolarHBondContact O-N 2.92Å
207N94.1Very high90.3Very high1 Ų147.8 Ų47.81%0.00524%0.239CC..Hα-helixtrans-64.9-39.2177.9-58.8-10.8000111.7G76 Q77 D82 L84 N204 S209 L210 Y211G76-N207 WeakPolarHBondContact CA-ND2 3.29Å; G76-N207 WeakPolarHBondContact O-CB 3.48Å; G76-N207 PolarHBondContact O-ND2 3.34Å; Q77-N207 VanDerWaalsContact NE2-C 3.29Å; Q77-N207 PolarHBondContact NE2-O 2.93Å; D82-N207 PolarHBondContact O-ND2 2.81Å; L84-N207 HydrophobicContact CD1-CB 4.28Å; L84-N207 WeakPolarHBondContact CG-OD1 3.42Å; L84-N207 PolarHBondContact N-OD1 3.12Å; N204-N207 HydrophobicContact CB-CB 4.04Å; N204-N207 PolarHBondContact O-N 3.32Å; N204-N207 PolarHBondContact OD1-N 3.14Å; N204-N207 VanDerWaalsContact OD1-N 3.15Å; N207-S209 VanDerWaalsContact C-N 3.28Å; N207-S209 PolarHBondContact O-N 3.06Å; N207-L210 WeakPolarHBondContact O-CB 3.39Å; N207-L210 PolarHBondContact O-N 3.45Å; N207-L210 VanDerWaalsContact O-N 3.17Å; N207-Y211 PolarHBondContact O-N 2.89Å
208L91.9Very high90.6Very high0 Ų044.2 Ų44.20%022%0.219CC..Hα-helixtrans-60.5-39.3176.8-179.657.4000111.8I44 T172 W173 L176 L203 N204 S206 L210 Y211 L212I44-L208 HydrophobicContact CG2-CD1 3.72Å; T172-L208 HydrophobicContact CG2-CG 4.28Å; W173-L208 HydrophobicContact CH2-CD2 4.26Å; W173-L208 HydrophobicContact CZ3-CD2 4.26Å; L176-L208 HydrophobicContact CD1-CD2 3.5Å; L176-L208 HydrophobicContact CD1-CG 4.21Å; L203-L208 HydrophobicContact CD1-CD1 4.45Å; L203-L208 HydrophobicContact CD1-CD2 4.37Å; N204-L208 WeakPolarHBondContact O-CB 3.32Å; N204-L208 PolarHBondContact O-N 3.34Å; S206-L208 VanDerWaalsContact C-N 3.33Å; S206-L208 PolarHBondContact O-N 2.86Å; L208-L210 VanDerWaalsContact C-N 3.31Å; L208-L210 PolarHBondContact O-N 3.14Å; L208-Y211 PolarHBondContact O-N 3.33Å; L208-L212 PolarHBondContact O-N 2.99Å
209S90.1Very high90.9Very high24 Ų2445.2 Ų45.217%0.16823%0.227CC..Hα-helixtrans-63.4-35.9175.977.60000112.7P205 S206 N207 L212 E213P205-S209 PolarHBondContact O-N 3.47Å; S206-S209 PolarHBondContact O-N 2.97Å; S206-S209 PolarHBondContact O-OG 2.94Å; N207-S209 VanDerWaalsContact C-N 3.28Å; N207-S209 PolarHBondContact O-N 3.06Å; S209-L212 PolarHBondContact O-N 2.78Å; S209-E213 VanDerWaalsContact O-CB 3.3Å; S209-E213 WeakPolarHBondContact O-CB 3.21Å; S209-E213 PolarHBondContact O-N 2.72Å
210L93.5Very high91.1Very high46 Ų4648.1 Ų48.124%0.24124%0.243CC..Hα-helixtrans-66.7-40.6176.2-64.5171.2000111.8L84 F90 S206 N207 L208 E213 S214L84-L210 HydrophobicContact CB-CD1 4.48Å; L84-L210 HydrophobicContact CD1-CD1 4.04Å; F90-L210 HydrophobicContact CB-CB 3.93Å; F90-L210 HydrophobicContact CB-CD1 4.35Å; F90-L210 HydrophobicContact CB-CD2 4.41Å; F90-L210 HydrophobicContact CB-CG 4.47Å; F90-L210 HydrophobicContact CD1-CB 4.24Å; F90-L210 HydrophobicContact CD2-CB 3.53Å; F90-L210 HydrophobicContact CD2-CD1 4.03Å; F90-L210 HydrophobicContact CD2-CG 4.4Å; F90-L210 HydrophobicContact CE2-CB 4.07Å; F90-L210 HydrophobicContact CG-CB 3.62Å; S206-L210 PolarHBondContact O-N 2.92Å; N207-L210 WeakPolarHBondContact O-CB 3.39Å; N207-L210 PolarHBondContact O-N 3.45Å; N207-L210 VanDerWaalsContact O-N 3.17Å; L208-L210 VanDerWaalsContact C-N 3.31Å; L208-L210 PolarHBondContact O-N 3.14Å; L210-E213 PolarHBondContact O-N 3.18Å; L210-S214 WeakPolarHBondContact O-CB 3.08Å; L210-S214 PolarHBondContact O-N 2.8Å
211Y94.4Very high91.4Very high0 Ų043.6 Ų43.60%022%0.224CC..Hα-helixtrans-66.7-42.9176.4-171.8-157.7000111.6H42 I44 V74 Q77 F90 L93 I96 A119 G120 N207 L208 E213 S214 F215H42-Y211 PolarHBondContact O-OH 3.14Å; I44-Y211 HydrophobicContact CB-CD1 4.29Å; I44-Y211 HydrophobicContact CB-CE1 4.42Å; I44-Y211 HydrophobicContact CG1-CD1 3.69Å; I44-Y211 HydrophobicContact CG1-CD2 4.41Å; I44-Y211 HydrophobicContact CG1-CE1 3.73Å; I44-Y211 HydrophobicContact CG1-CE2 4.43Å; I44-Y211 HydrophobicContact CG1-CG 4.05Å; V74-Y211 HydrophobicContact CB-CE1 4.42Å; V74-Y211 HydrophobicContact CG1-CD1 4.41Å; V74-Y211 HydrophobicContact CG1-CD2 4.18Å; V74-Y211 HydrophobicContact CG1-CE1 4.48Å; V74-Y211 HydrophobicContact CG1-CE2 4.26Å; V74-Y211 HydrophobicContact CG1-CG 4.27Å; V74-Y211 HydrophobicContact CG2-CE1 4.2Å; V74-Y211 HydrophobicContact CG2-CE2 4.42Å; Q77-Y211 HydrophobicContact CG-CD1 4.16Å; F90-Y211 HydrophobicContact CE1-CD2 4.06Å; F90-Y211 HydrophobicContact CE1-CG 4.45Å; F90-Y211 HydrophobicContact CZ-CD2 4.18Å; F90-Y211 HydrophobicContact CZ-CG 4.2Å; L93-Y211 HydrophobicContact CD2-CE2 3.98Å; I96-Y211 HydrophobicContact CD1-CD2 4.32Å; I96-Y211 HydrophobicContact CD1-CE2 3.99Å; A119-Y211 HydrophobicContact CB-CE1 4.46Å; A119-Y211 HydrophobicContact CB-CE2 4.19Å; A119-Y211 WeakPolarHBondContact CB-OH 3.46Å; G120-Y211 PolarHBondContact N-OH 2.88Å; N207-Y211 PolarHBondContact O-N 2.89Å; L208-Y211 PolarHBondContact O-N 3.33Å; Y211-E213 PolarHBondContact O-N 2.73Å; Y211-S214 PolarHBondContact O-N 2.81Å; Y211-F215 PolarHBondContact O-N 2.95Å
212L90.3Very high91.5Very high13 Ų1337.8 Ų37.87%0.06819%0.193CC..Hα-helixtrans-58.9-47.3172.7178.358000111.3I44 T172 Y175 L208 S209 S214 F215 M216I44-L212 HydrophobicContact CD1-CD1 4.09Å; I44-L212 HydrophobicContact CG2-CB 4.18Å; T172-L212 HydrophobicContact CG2-CD2 3.81Å; Y175-L212 HydrophobicContact CD1-CD1 3.51Å; Y175-L212 HydrophobicContact CD1-CD2 4.06Å; Y175-L212 HydrophobicContact CD1-CG 4.44Å; Y175-L212 HydrophobicContact CD2-CD1 3.97Å; Y175-L212 HydrophobicContact CE1-CD1 3.49Å; Y175-L212 VanDerWaalsContact CE1-CD1 3.49Å; Y175-L212 HydrophobicContact CE2-CD1 3.94Å; Y175-L212 HydrophobicContact CG-CD1 3.78Å; Y175-L212 HydrophobicContact CG-CD2 4.02Å; L208-L212 PolarHBondContact O-N 2.99Å; S209-L212 PolarHBondContact O-N 2.78Å; L212-S214 VanDerWaalsContact C-N 3.34Å; L212-S214 PolarHBondContact O-N 2.75Å; L212-F215 WeakPolarHBondContact O-CB 3.39Å; L212-F215 PolarHBondContact O-N 3.49Å; L212-M216 HydrophobicContact CD1-CG 4.02Å; L212-M216 HydrophobicContact CD1-SD 4.43Å; L212-M216 HydrophobicContact CG-CG 4.27Å; L212-M216 WeakPolarHBondContact O-CB 3.19Å; L212-M216 WeakPolarHBondContact O-CG 3.32Å; L212-M216 PolarHBondContact O-N 3.28Å
213E89.6Confident91.4Very high60 Ų6037.7 Ų37.728%0.2821%0.214SC..Hα-helixtrans-59.9-43.1178.6-177.6174.2-161.600112.3S209 L210 Y211 F215 M216 R217S209-E213 VanDerWaalsContact O-CB 3.3Å; S209-E213 WeakPolarHBondContact O-CB 3.21Å; S209-E213 PolarHBondContact O-N 2.72Å; L210-E213 PolarHBondContact O-N 3.18Å; Y211-E213 PolarHBondContact O-N 2.73Å; E213-F215 VanDerWaalsContact C-N 3.35Å; E213-F215 PolarHBondContact O-N 3.11Å; E213-M216 PolarHBondContact O-N 3.06Å; E213-R217 WeakPolarHBondContact O-CG 3.38Å; E213-R217 PolarHBondContact O-N 3.12Å; E213-R217 IonicContact OE1-CZ 2.81Å; E213-R217 IonicContact OE1-NE 2.86Å; E213-R217 IonicContact OE1-NH1 2.8Å; E213-R217 PolarHBondContact OE1-NH1 2.8Å; E213-R217 VanDerWaalsContact OE1-NH1 3.13Å; E213-R217 IonicContact OE1-NH2 3.28Å; E213-R217 PolarHBondContact OE1-NH2 2.85Å
214S92.6Very high91.3Very high11 Ų1140.1 Ų40.18%0.07723%0.228CC..Hα-helixtrans-59.8-44.5174.3-179.10000111.8P91 S92 L93 L210 Y211 L212 M216 R217 R218P91-S214 WeakPolarHBondContact O-CB 3.46Å; P91-S214 PolarHBondContact O-OG 3.23Å; S92-S214 VanDerWaalsContact CA-OG 3.32Å; S92-S214 WeakPolarHBondContact CA-OG 3.45Å; L93-S214 PolarHBondContact N-OG 3.38Å; L210-S214 WeakPolarHBondContact O-CB 3.08Å; L210-S214 PolarHBondContact O-N 2.8Å; Y211-S214 PolarHBondContact O-N 2.81Å; L212-S214 VanDerWaalsContact C-N 3.34Å; L212-S214 PolarHBondContact O-N 2.75Å; S214-M216 VanDerWaalsContact C-N 3.34Å; S214-M216 PolarHBondContact O-N 3.49Å; S214-R217 PolarHBondContact O-N 2.75Å; S214-R218 PolarHBondContact O-N 3.41Å
215F91.2Very high91.3Very high4 Ų439.1 Ų39.12%0.01822%0.222CC..Hα-helixtrans-63.7-39.7175179.5-102.3000112.2I44 L93 A119 N122 Y175 Y211 L212 E213 R217 R218I44-F215 HydrophobicContact CD1-CB 3.47Å; I44-F215 VanDerWaalsContact CD1-CB 3.47Å; I44-F215 HydrophobicContact CD1-CD1 3.68Å; I44-F215 HydrophobicContact CD1-CD2 4.16Å; I44-F215 HydrophobicContact CD1-CE1 4.44Å; I44-F215 HydrophobicContact CD1-CG 3.52Å; L93-F215 HydrophobicContact CD1-CD2 3.74Å; L93-F215 HydrophobicContact CD1-CE2 4.49Å; A119-F215 HydrophobicContact CB-CD2 3.44Å; A119-F215 VanDerWaalsContact CB-CD2 3.44Å; A119-F215 HydrophobicContact CB-CE2 3.85Å; A119-F215 HydrophobicContact CB-CG 4.12Å; N122-F215 HydrophobicContact CB-CE2 4.46Å; Y175-F215 VanDerWaalsContact OH-CE1 3.26Å; Y175-F215 WeakPolarHBondContact OH-CE1 3.38Å; Y211-F215 PolarHBondContact O-N 2.95Å; L212-F215 WeakPolarHBondContact O-CB 3.39Å; L212-F215 PolarHBondContact O-N 3.49Å; E213-F215 VanDerWaalsContact C-N 3.35Å; E213-F215 PolarHBondContact O-N 3.11Å; F215-R217 VanDerWaalsContact C-N 3.26Å; F215-R217 PolarHBondContact O-N 2.95Å; F215-R218 VanDerWaalsContact CD1-NH1 3.28Å; F215-R218 VanDerWaalsContact O-CB 3.24Å; F215-R218 WeakPolarHBondContact O-CB 3.39Å; F215-R218 VanDerWaalsContact O-CD 3.23Å; F215-R218 WeakPolarHBondContact O-CD 3.4Å; F215-R218 WeakPolarHBondContact O-CG 3.33Å; F215-R218 PolarHBondContact O-N 3.42Å; F215-R218 PolarHBondContact O-NH1 3.08Å
216M86Confident91.5Very high64 Ų6439.6 Ų39.632%0.31523%0.23SC..Hα-helixtrans-66.6-28.5178-68.7-63.2-66.200112.9F151 L212 E213 S214F151-M216 HydrophobicContact CB-CE 3.67Å; F151-M216 HydrophobicContact CD1-CE 4.34Å; F151-M216 HydrophobicContact CD2-CE 3.37Å; F151-M216 HydrophobicContact CE2-CE 3.9Å; F151-M216 HydrophobicContact CG-CE 3.58Å; L212-M216 HydrophobicContact CD1-CG 4.02Å; L212-M216 HydrophobicContact CD1-SD 4.43Å; L212-M216 HydrophobicContact CG-CG 4.27Å; L212-M216 WeakPolarHBondContact O-CB 3.19Å; L212-M216 WeakPolarHBondContact O-CG 3.32Å; L212-M216 PolarHBondContact O-N 3.28Å; E213-M216 PolarHBondContact O-N 3.06Å; S214-M216 VanDerWaalsContact C-N 3.34Å; S214-M216 PolarHBondContact O-N 3.49Å
217R90.1Very high91.6Very high182 Ų18243.5 Ų43.569%0.68724%0.242SC*.THydrogen-bonded Turntrans-92.25.8177-68.1174.9175.5172.2-2.3113.9E213 S214 F215E213-R217 WeakPolarHBondContact O-CG 3.38Å; E213-R217 PolarHBondContact O-N 3.12Å; E213-R217 IonicContact OE1-CZ 2.81Å; E213-R217 IonicContact OE1-NE 2.86Å; E213-R217 IonicContact OE1-NH1 2.8Å; E213-R217 PolarHBondContact OE1-NH1 2.8Å; E213-R217 VanDerWaalsContact OE1-NH1 3.13Å; E213-R217 IonicContact OE1-NH2 3.28Å; E213-R217 PolarHBondContact OE1-NH2 2.85Å; S214-R217 PolarHBondContact O-N 2.75Å; F215-R217 VanDerWaalsContact C-N 3.26Å; F215-R217 PolarHBondContact O-N 2.95Å
218R92Very high91.7Very high12 Ų1247.5 Ų47.55%0.04526%0.259CS..PPolyproline II helixtrans-57.1149.4-179.575.2-171174.6-86.94111.4L93 T146 T147 S214 F215L93-R218 HydrophobicContact CD1-CB 3.73Å; L93-R218 HydrophobicContact CG-CB 4.19Å; T146-R218 VanDerWaalsContact O-CZ 3.3Å; T146-R218 PolarHBondContact O-NE 3.03Å; T146-R218 VanDerWaalsContact O-NE 3.17Å; T146-R218 PolarHBondContact O-NH2 3.45Å; T147-R218 HydrophobicContact CG2-CG 4.41Å; T147-R218 WeakPolarHBondContact CG2-O 3.08Å; S214-R218 PolarHBondContact O-N 3.41Å; F215-R218 VanDerWaalsContact CD1-NH1 3.28Å; F215-R218 VanDerWaalsContact O-CB 3.24Å; F215-R218 WeakPolarHBondContact O-CB 3.39Å; F215-R218 VanDerWaalsContact O-CD 3.23Å; F215-R218 WeakPolarHBondContact O-CD 3.4Å; F215-R218 WeakPolarHBondContact O-CG 3.33Å; F215-R218 PolarHBondContact O-N 3.42Å; F215-R218 PolarHBondContact O-NH1 3.08Å
219T92.3Very high91.9Very high79 Ų7947.7 Ų47.749%0.48526%0.26SS..PPolyproline II helixtrans-78.8151.1170.752.20000110.9R126R126-T219 PolarHBondContact NH1-OG1 3.42Å; R126-T219 PolarHBondContact NH2-O 3.46Å
220D91.8Very high92.1Very high69 Ų6953.1 Ų53.137%0.36928%0.281SS..PPolyproline II helixtrans-72.1129.9176.4-158.9-45.2000110.1T146 T147 S222T146-D220 WeakPolarHBondContact CA-OD2 3.36Å; T147-D220 HydrophobicContact CG2-CB 4.11Å; T147-D220 PolarHBondContact N-OD2 2.89Å; D220-S222 WeakPolarHBondContact OD1-CB 3.24Å; D220-S222 PolarHBondContact OD1-N 2.73Å; D220-S222 PolarHBondContact OD1-OG 3.43Å
221L92.6Very high92.3Very high9 Ų951.5 Ų51.55%0.04727%0.273CS..  trans-93.1-14.9177.6-66.5174.8000112.9C125 R126 I129 S145 G223 D224 L225C125-L221 HydrophobicContact CB-CD1 4.23Å; R126-L221 HydrophobicContact CG-CD1 3.95Å; R126-L221 HydrophobicContact CG-CD2 4.05Å; I129-L221 HydrophobicContact CD1-CD2 4.07Å; S145-L221 PolarHBondContact O-N 2.72Å; S145-L221 VanDerWaalsContact O-N 3.09Å; L221-G223 VanDerWaalsContact C-N 3.33Å; L221-G223 PolarHBondContact O-N 3.01Å; L221-D224 WeakPolarHBondContact O-CB 3.46Å; L221-D224 PolarHBondContact O-N 3.23Å; L221-L225 HydrophobicContact CB-CD2 4.48Å; L221-L225 HydrophobicContact CB-CG 4.39Å; L221-L225 WeakPolarHBondContact O-CG 3.37Å; L221-L225 PolarHBondContact O-N 3.11Å
222S89.2Confident92.4Very high12 Ų1255.3 Ų55.38%0.08429%0.291CS..Hα-helixtrans-59.5-40.6-163-48.40000112.7S145 T146 D220 D224 N253S145-S222 WeakPolarHBondContact CB-OG 3.46Å; S145-S222 PolarHBondContact OG-OG 3.21Å; T146-S222 WeakPolarHBondContact CG2-OG 3.07Å; D220-S222 WeakPolarHBondContact OD1-CB 3.24Å; D220-S222 PolarHBondContact OD1-N 2.73Å; D220-S222 PolarHBondContact OD1-OG 3.43Å; S222-D224 PolarHBondContact O-N 3.25Å; S222-N253 WeakPolarHBondContact O-CB 3.38Å
223G89.4Confident92.8Very high75 Ų7554.7 Ų54.777%0.77329%0.288SS*.Hα-helixtrans-67.5-21.2177.600000114.6L221L221-G223 VanDerWaalsContact C-N 3.33Å; L221-G223 PolarHBondContact O-N 3.01Å
224D90.9Very high93.2Very high58 Ų5852.2 Ų52.231%0.3128%0.276SS..Hα-helixtrans-98.3-18.5-175.4-79.4-15000113.2L221 S222 A226 E227 K228L221-D224 WeakPolarHBondContact O-CB 3.46Å; L221-D224 PolarHBondContact O-N 3.23Å; S222-D224 PolarHBondContact O-N 3.25Å; D224-A226 PolarHBondContact O-N 3.01Å; D224-E227 PolarHBondContact O-N 3.43Å; D224-K228 HydrophobicContact CB-CD 3.86Å; D224-K228 HydrophobicContact CB-CG 4.21Å; D224-K228 VanDerWaalsContact CG-CE 3.41Å; D224-K228 WeakPolarHBondContact O-CA 3.33Å; D224-K228 VanDerWaalsContact O-CB 3.31Å; D224-K228 WeakPolarHBondContact O-CB 3.32Å; D224-K228 WeakPolarHBondContact O-CG 3.32Å; D224-K228 PolarHBondContact O-N 2.82Å; D224-K228 WeakPolarHBondContact OD1-CE 3.39Å; D224-K228 IonicContact OD1-NZ 3.42Å; D224-K228 PolarHBondContact OD1-NZ 3.42Å; D224-K228 IonicContact OD2-NZ 2.6Å; D224-K228 PolarHBondContact OD2-NZ 3.41Å
225L94.7Very high93.5Very high1 Ų151.7 Ų51.71%0.00527%0.272CS..Hα-helixtrans-61-49.7-169.7-76.3171.5000113.2I129 L221 E227 L229 M250 N253 M254I129-L225 HydrophobicContact CD1-CD2 4.21Å; L221-L225 HydrophobicContact CB-CD2 4.48Å; L221-L225 HydrophobicContact CB-CG 4.39Å; L221-L225 WeakPolarHBondContact O-CG 3.37Å; L221-L225 PolarHBondContact O-N 3.11Å; L225-E227 VanDerWaalsContact C-N 3.29Å; L225-E227 PolarHBondContact O-N 3.13Å; L225-L229 HydrophobicContact CD2-CB 4.4Å; L225-L229 HydrophobicContact CD2-CD2 4.1Å; L225-L229 VanDerWaalsContact O-CB 3.24Å; L225-L229 WeakPolarHBondContact O-CB 3.49Å; L225-L229 PolarHBondContact O-N 3.26Å; L225-L229 VanDerWaalsContact O-N 3.12Å; L225-M250 HydrophobicContact CD1-CE 4.15Å; L225-M250 HydrophobicContact CD1-CG 3.74Å; L225-M250 HydrophobicContact CD2-CE 4.16Å; L225-N253 WeakPolarHBondContact CB-O 3.17Å; L225-N253 HydrophobicContact CD1-CB 4.42Å; L225-M254 HydrophobicContact CB-CG 3.85Å; L225-M254 HydrophobicContact CD1-CG 3.88Å; L225-M254 HydrophobicContact CD2-CG 4.32Å; L225-M254 HydrophobicContact CG-CG 4.23Å
226A93.6Very high93.8Very high57 Ų5751.5 Ų51.547%0.47127%0.272SS..Hα-helixtrans-61-37.1-17800000113D224 N253D224-A226 PolarHBondContact O-N 3.01Å; A226-N253 WeakPolarHBondContact CB-O 3.28Å; A226-N253 PolarHBondContact N-O 3.49Å
227E93.3Very high94.3Very high137 Ų13748.4 Ų48.464%0.6426%0.257SS*.Hα-helixtrans-88.5-45.7-177.9-170.9-176.2166.300112.1D224 L225 K230D224-E227 PolarHBondContact O-N 3.43Å; L225-E227 VanDerWaalsContact C-N 3.29Å; L225-E227 PolarHBondContact O-N 3.13Å; E227-K230 WeakPolarHBondContact O-CD 3.44Å; E227-K230 WeakPolarHBondContact O-CE 3.42Å; E227-K230 PolarHBondContact O-NZ 2.9Å
228K95.7Very high94.4Very high84 Ų8439.8 Ų39.837%0.36522%0.224SC..Hα-helixtrans-98-24.1-165.7-52.1-172.4-171.1164.40114.2I129 D224 K230I129-K228 HydrophobicContact CG1-CB 4.44Å; I129-K228 HydrophobicContact CG2-CB 3.75Å; I129-K228 HydrophobicContact CG2-CD 4.26Å; D224-K228 HydrophobicContact CB-CD 3.86Å; D224-K228 HydrophobicContact CB-CG 4.21Å; D224-K228 VanDerWaalsContact CG-CE 3.41Å; D224-K228 WeakPolarHBondContact O-CA 3.33Å; D224-K228 VanDerWaalsContact O-CB 3.31Å; D224-K228 WeakPolarHBondContact O-CB 3.32Å; D224-K228 WeakPolarHBondContact O-CG 3.32Å; D224-K228 PolarHBondContact O-N 2.82Å; D224-K228 WeakPolarHBondContact OD1-CE 3.39Å; D224-K228 IonicContact OD1-NZ 3.42Å; D224-K228 PolarHBondContact OD1-NZ 3.42Å; D224-K228 IonicContact OD2-NZ 2.6Å; D224-K228 PolarHBondContact OD2-NZ 3.41Å; K228-K230 PolarHBondContact O-N 3.45Å
229L96.4Very high94.4Very high4 Ų441.1 Ų41.12%0.02124%0.235CC..  trans-78.692.7175.4-173.765.5000109.6A128 I129 L225 V231 A233 M254 N258A128-L229 HydrophobicContact CB-CD1 3.56Å; I129-L229 HydrophobicContact CG1-CB 4.19Å; I129-L229 HydrophobicContact CG1-CD1 4.18Å; L225-L229 HydrophobicContact CD2-CB 4.4Å; L225-L229 HydrophobicContact CD2-CD2 4.1Å; L225-L229 VanDerWaalsContact O-CB 3.24Å; L225-L229 WeakPolarHBondContact O-CB 3.49Å; L225-L229 PolarHBondContact O-N 3.26Å; L225-L229 VanDerWaalsContact O-N 3.12Å; L229-V231 HydrophobicContact CD1-CG2 3.84Å; L229-A233 HydrophobicContact CD2-CB 4Å; L229-M254 HydrophobicContact CD2-CE 3.33Å; L229-M254 HydrophobicContact CD2-SD 4.4Å; L229-N258 PolarHBondContact O-ND2 3.44Å
230K95.1Very high94.2Very high139 Ų13943 Ų4360%0.60424%0.237SC*.  trans-90.1-14.4-175.5-62-51.4-164.9-170.80115P132 E227 K228P132-K230 HydrophobicContact CB-CB 4.27Å; E227-K230 WeakPolarHBondContact O-CD 3.44Å; E227-K230 WeakPolarHBondContact O-CE 3.42Å; E227-K230 PolarHBondContact O-NZ 2.9Å; K228-K230 PolarHBondContact O-N 3.45Å
231V96.7Very high94Very high11 Ų1140.3 Ų40.37%0.06722%0.224CC..SBendtrans-86.2157.9-179.8-58.10000110.9A128 P132 L135 V138 L229 N258A128-V231 HydrophobicContact CB-CG2 3.78Å; P132-V231 HydrophobicContact CB-CG1 3.7Å; P132-V231 WeakPolarHBondContact O-CG1 3.36Å; L135-V231 HydrophobicContact CB-CG1 4.12Å; V138-V231 HydrophobicContact CG1-CG2 4.02Å; L229-V231 HydrophobicContact CD1-CG2 3.84Å; V231-N258 PolarHBondContact O-ND2 3Å
232E97.4Very high93.5Very high80 Ų8041.8 Ų41.837%0.37424%0.235SC..  trans-61.6135.9169-68.9-59.2129.800110.1G137 V138 N258 F285G137-E232 CarbonylContact C-O 3.57Å; G137-E232 WeakPolarHBondContact CA-O 3.43Å; V138-E232 PolarHBondContact N-O 3.32Å; E232-N258 CarbonylContact C-O 3.58Å; E232-N258 WeakPolarHBondContact CA-O 3.33Å; E232-N258 VanDerWaalsContact OE1-CB 3.27Å; E232-N258 WeakPolarHBondContact OE1-CB 3.43Å; E232-N258 WeakPolarHBondContact OE2-CA 3.3Å; E232-F285 HydrophobicContact CB-CE2 3.85Å; E232-F285 HydrophobicContact CB-CZ 4.07Å; E232-F285 WeakPolarHBondContact O-CZ 3.25Å
233A98.1Very high93.4Very high0 Ų041.8 Ų41.80%023%0.234CC..EExtended strand (participates in β ladder)trans-131.9123.2-175.800000111.8V138 L229 M254 N258 S259 T260V138-A233 HydrophobicContact CG1-CB 3.77Å; V138-A233 CarbonylContact O-C 3.59Å; V138-A233 VanDerWaalsContact O-CA 3.31Å; V138-A233 WeakPolarHBondContact O-CA 3.33Å; L229-A233 HydrophobicContact CD2-CB 4Å; A233-M254 HydrophobicContact CB-CE 3.39Å; A233-N258 PolarHBondContact N-O 3.11Å; A233-S259 CarbonylContact O-C 3.53Å; A233-S259 WeakPolarHBondContact O-CA 3.46Å; A233-T260 PolarHBondContact O-N 3.21Å
234L98.4Very high93.3Very high8 Ų840.5 Ų40.54%0.04221%0.209CC..EExtended strand (participates in β ladder)trans-103112170.1175.664.9000109.6V138 I139 L140 V236 T260 L262 A281 F285V138-L234 PolarHBondContact O-N 3.3Å; I139-L234 CarbonylContact C-O 3.56Å; I139-L234 WeakPolarHBondContact CA-O 3.47Å; I139-L234 HydrophobicContact CG1-CB 4.35Å; I139-L234 HydrophobicContact CG1-CD2 4.43Å; I139-L234 HydrophobicContact CG2-CD2 4.21Å; I139-L234 HydrophobicContact CG2-CG 4.49Å; L140-L234 PolarHBondContact N-O 3.03Å; L234-V236 HydrophobicContact CD1-CG2 4.38Å; L234-V236 HydrophobicContact CD2-CG2 4Å; L234-V236 HydrophobicContact CG-CG2 3.8Å; L234-T260 HydrophobicContact CD1-CG2 4.04Å; L234-L262 HydrophobicContact CD1-CB 4.32Å; L234-A281 HydrophobicContact CD2-CB 4.07Å; L234-F285 HydrophobicContact CB-CB 4.46Å; L234-F285 HydrophobicContact CB-CD2 3.61Å; L234-F285 HydrophobicContact CB-CE2 3.86Å; L234-F285 HydrophobicContact CB-CG 3.94Å; L234-F285 HydrophobicContact CB-CZ 4.41Å; L234-F285 HydrophobicContact CD2-CB 3.92Å; L234-F285 HydrophobicContact CD2-CG 4.24Å
235L98Very high93.1Very high0 Ų044.6 Ų44.60%023%0.226CC..EExtended strand (participates in β ladder)trans-87.1131.8170.1-64.5164.9000109.3L140 I247 M250 H251 M254 T260 L261 L262L140-L235 HydrophobicContact CB-CD2 3.94Å; L140-L235 HydrophobicContact CD1-CD2 4.02Å; L140-L235 WeakPolarHBondContact O-CA 3.47Å; L235-I247 HydrophobicContact CB-CD1 3.87Å; L235-I247 HydrophobicContact CB-CG1 4.17Å; L235-I247 HydrophobicContact CD1-CG1 4.45Å; L235-I247 HydrophobicContact CD2-CD1 4.21Å; L235-I247 HydrophobicContact CD2-CG1 4.03Å; L235-I247 HydrophobicContact CG-CG1 4.47Å; L235-M250 HydrophobicContact CD2-CE 4.15Å; L235-M250 HydrophobicContact CD2-CG 4.42Å; L235-M250 HydrophobicContact CD2-SD 4.02Å; L235-H251 HydrophobicContact CD1-CB 3.57Å; L235-M254 HydrophobicContact CD1-CE 4.38Å; L235-M254 HydrophobicContact CD1-SD 3.69Å; L235-M254 HydrophobicContact CD2-SD 4.17Å; L235-M254 HydrophobicContact CG-CE 4.45Å; L235-M254 HydrophobicContact CG-SD 4.19Å; L235-T260 PolarHBondContact N-O 3.24Å; L235-L261 HydrophobicContact CB-CD1 3.67Å; L235-L261 HydrophobicContact CD1-CD1 4.38Å; L235-L262 PolarHBondContact O-N 2.88Å
236V98.1Very high92.8Very high0 Ų045 Ų450%023%0.229CC..EExtended strand (participates in β ladder)trans-128.8133177-168.90000110.6I139 L140 I141 H142 L234 L262 V264 V270 L278I139-V236 HydrophobicContact CG2-CG2 4.32Å; L140-V236 PolarHBondContact O-N 3.28Å; I141-V236 CarbonylContact C-O 3.08Å; I141-V236 WeakPolarHBondContact CA-O 3.31Å; I141-V236 HydrophobicContact CG1-CB 4.28Å; H142-V236 PolarHBondContact N-O 3.43Å; L234-V236 HydrophobicContact CD1-CG2 4.38Å; L234-V236 HydrophobicContact CD2-CG2 4Å; L234-V236 HydrophobicContact CG-CG2 3.8Å; V236-L262 WeakPolarHBondContact CA-O 3.4Å; V236-L262 HydrophobicContact CG1-CD2 4.15Å; V236-L262 HydrophobicContact CG1-CG 4.37Å; V236-L262 HydrophobicContact CG2-CB 4.45Å; V236-L262 HydrophobicContact CG2-CD2 4.49Å; V236-V264 HydrophobicContact CG1-CG2 4.18Å; V236-V270 HydrophobicContact CG1-CG1 3.98Å; V236-V270 HydrophobicContact CG1-CG2 4.47Å; V236-L278 HydrophobicContact CB-CD1 4.37Å; V236-L278 HydrophobicContact CG1-CD1 4.09Å; V236-L278 HydrophobicContact CG2-CD1 4Å
237V95.3Very high92.7Very high0 Ų042.3 Ų42.30%021%0.206CC..EExtended strand (participates in β ladder)trans-144.4148.6178.266.70000111.4A241 H243 L244 I247 L261 L262 V263 V264V237-A241 HydrophobicContact CG2-CB 3.94Å; V237-H243 HydrophobicContact CG2-CB 4.48Å; V237-L244 HydrophobicContact CG1-CD1 3.94Å; V237-L244 HydrophobicContact CG2-CB 4.48Å; V237-L244 HydrophobicContact CG2-CD1 4.2Å; V237-I247 HydrophobicContact CB-CD1 3.82Å; V237-I247 HydrophobicContact CB-CG2 3.77Å; V237-I247 HydrophobicContact CG1-CD1 4.39Å; V237-I247 HydrophobicContact CG1-CG2 3.63Å; V237-I247 HydrophobicContact CG2-CG2 3.88Å; V237-L261 HydrophobicContact CG1-CD1 4.34Å; V237-L262 PolarHBondContact N-O 3.38Å; V237-V263 HydrophobicContact CG1-CB 4.28Å; V237-V263 HydrophobicContact CG1-CG1 4.25Å; V237-V263 HydrophobicContact CG1-CG2 3.83Å; V237-V263 CarbonylContact O-C 3.51Å; V237-V263 WeakPolarHBondContact O-CA 3.44Å; V237-V264 PolarHBondContact O-N 3.37Å
238G93.5Very high92.6Very high0 Ų040.6 Ų40.60%019%0.194CC..EExtended strand (participates in β ladder)trans-83.8139.3167.700000110.7K240 A241 V267G238-K240 PolarHBondContact O-N 2.91Å; G238-K240 VanDerWaalsContact O-N 3.15Å; G238-A241 WeakPolarHBondContact O-CB 3.19Å; G238-A241 PolarHBondContact O-N 2.75Å; G238-V267 CarbonylContact C-O 3.59Å; G238-V267 WeakPolarHBondContact CA-O 3.5Å
239S91.7Very high92.3Very high40 Ų4038.2 Ų38.228%0.2819%0.187SC..THydrogen-bonded Turntrans-62.6-16.9177.555.90000114.3L244 V264 D265 D266 V267S239-L244 WeakPolarHBondContact O-CD2 3.34Å; S239-V264 PolarHBondContact N-O 3.14Å; S239-V264 PolarHBondContact OG-O 2.92Å; S239-V264 VanDerWaalsContact OG-O 3.11Å; S239-D265 WeakPolarHBondContact OG-CA 3.36Å; S239-D266 PolarHBondContact OG-N 3.39Å; S239-V267 PolarHBondContact N-O 3.49Å
240K88.2Confident92.1Very high120 Ų12038 Ų3852%0.52219%0.186SC..THydrogen-bonded Turntrans-103.42.8171.8-59.8178.9-179.5157.80113.2G238 D266 V267G238-K240 PolarHBondContact O-N 2.91Å; G238-K240 VanDerWaalsContact O-N 3.15Å; K240-D266 WeakPolarHBondContact CE-O 3.43Å; K240-D266 WeakPolarHBondContact CE-OD1 3.16Å; K240-D266 PolarHBondContact NZ-O 2.91Å; K240-D266 IonicContact NZ-OD1 3.13Å; K240-D266 PolarHBondContact NZ-OD1 3.37Å; K240-D266 IonicContact NZ-OD2 2.59Å; K240-D266 PolarHBondContact NZ-OD2 2.98Å; K240-V267 WeakPolarHBondContact CB-O 3.17Å; K240-V267 PolarHBondContact N-O 2.93Å
241A87.2Confident92Very high12 Ų1233.9 Ų33.910%0.09917%0.169CC..SBendtrans-70.3147.6-178.600000111.5V237 G238 H243 L244 G268V237-A241 HydrophobicContact CG2-CB 3.94Å; G238-A241 WeakPolarHBondContact O-CB 3.19Å; G238-A241 PolarHBondContact O-N 2.75Å; A241-H243 PolarHBondContact O-N 2.89Å; A241-L244 PolarHBondContact O-N 2.98Å; A241-G268 WeakPolarHBondContact CB-O 3.49Å
242S83.2Confident91.8Very high39 Ų3940.6 Ų40.627%0.27320%0.199SC..THydrogen-bonded Turntrans-63.2-20.9175.558.30000112.7H179H179-S242 PolarHBondContact O-OG 2.86Å
243H85.6Confident91.6Very high13 Ų1339.7 Ų39.76%0.0620%0.197CC..THydrogen-bonded Turntrans-86.60.1-179.2-43.279.9000114.7H142 H179 V237 A241 H245 T246 I247H142-H243 HydrophobicContact CB-CB 4.25Å; H142-H243 AromaticContact CG-ND1 3.89Å; H142-H243 PolarHBondContact O-CD2 3.17Å; H179-H243 AromaticContact CD2-NE2 3.65Å; H179-H243 AromaticContact CE1-CE1 3.46Å; H179-H243 PolarHBondContact CE1-CE1 3.01Å; H179-H243 VanDerWaalsContact CE1-CE1 3.46Å; H179-H243 AromaticContact CE1-NE2 3.29Å; H179-H243 PolarHBondContact CE1-NE2 2.99Å; H179-H243 VanDerWaalsContact CE1-NE2 3.29Å; H179-H243 AromaticContact NE2-CE1 3.43Å; H179-H243 PolarHBondContact NE2-CE1 2.97Å; H179-H243 AromaticContact NE2-NE2 2.82Å; H179-H243 PolarHBondContact NE2-NE2 2.83Å; V237-H243 HydrophobicContact CG2-CB 4.48Å; A241-H243 PolarHBondContact O-N 2.89Å; H243-H245 VanDerWaalsContact C-N 3.34Å; H243-H245 PolarHBondContact O-N 2.97Å; H243-T246 WeakPolarHBondContact CA-OG1 3.47Å; H243-T246 PolarHBondContact O-N 3.3Å; H243-T246 PolarHBondContact O-OG1 2.94Å; H243-I247 PolarHBondContact O-N 3.28Å
244L87.5Confident91.5Very high48 Ų4840.1 Ų40.125%0.25120%0.199SC..Hα-helixtrans-55.8-47.2-172.6-175.866.7000112.4V237 S239 A241 I247 Y248 V263V237-L244 HydrophobicContact CG1-CD1 3.94Å; V237-L244 HydrophobicContact CG2-CB 4.48Å; V237-L244 HydrophobicContact CG2-CD1 4.2Å; S239-L244 WeakPolarHBondContact O-CD2 3.34Å; A241-L244 PolarHBondContact O-N 2.98Å; L244-I247 WeakPolarHBondContact O-CG2 3.21Å; L244-Y248 HydrophobicContact CD1-CD2 4.31Å; L244-Y248 HydrophobicContact CD1-CE2 3.65Å; L244-Y248 HydrophobicContact CG-CD2 4.28Å; L244-Y248 HydrophobicContact CG-CE2 3.88Å; L244-Y248 WeakPolarHBondContact O-CD2 3.32Å; L244-Y248 PolarHBondContact O-N 3.4Å; L244-V263 HydrophobicContact CD1-CG1 4.23Å
245H87.4Confident91.1Very high143 Ų14341.2 Ų41.266%0.66221%0.207SC*.Hα-helixtrans-70-39.5-179.717961.3000112.6H243 Y248 T249H243-H245 VanDerWaalsContact C-N 3.34Å; H243-H245 PolarHBondContact O-N 2.97Å; H245-Y248 PolarHBondContact O-N 3.48Å; H245-T249 PolarHBondContact O-N 3.18Å; H245-T249 PolarHBondContact O-OG1 2.92Å; H245-T249 VanDerWaalsContact O-OG1 3.09Å
246T88Confident90.7Very high11 Ų1150.2 Ų50.27%0.06725%0.246CC..Hα-helixtrans-70.2-35.5-176.9540000111.9T144 V150 H243 T249 M250T144-T246 HydrophobicContact CG2-CG2 3.98Å; T144-T246 WeakPolarHBondContact OG1-CB 3.25Å; T144-T246 PolarHBondContact OG1-OG1 3.45Å; V150-T246 HydrophobicContact CG2-CG2 4.36Å; H243-T246 WeakPolarHBondContact CA-OG1 3.47Å; H243-T246 PolarHBondContact O-N 3.3Å; H243-T246 PolarHBondContact O-OG1 2.94Å; T246-T249 WeakPolarHBondContact O-CB 3.22Å; T246-T249 PolarHBondContact O-N 3.38Å; T246-M250 WeakPolarHBondContact O-CB 3.41Å; T246-M250 PolarHBondContact O-N 2.97Å
247I91.1Very high90.3Very high0 Ų058.7 Ų58.70%029%0.286CS..Hα-helixtrans-71.9-32.5178-153.8172.2000112.5L235 V237 H243 L244 T249 M250 H251 L261L235-I247 HydrophobicContact CB-CD1 3.87Å; L235-I247 HydrophobicContact CB-CG1 4.17Å; L235-I247 HydrophobicContact CD1-CG1 4.45Å; L235-I247 HydrophobicContact CD2-CD1 4.21Å; L235-I247 HydrophobicContact CD2-CG1 4.03Å; L235-I247 HydrophobicContact CG-CG1 4.47Å; V237-I247 HydrophobicContact CB-CD1 3.82Å; V237-I247 HydrophobicContact CB-CG2 3.77Å; V237-I247 HydrophobicContact CG1-CD1 4.39Å; V237-I247 HydrophobicContact CG1-CG2 3.63Å; V237-I247 HydrophobicContact CG2-CG2 3.88Å; H243-I247 PolarHBondContact O-N 3.28Å; L244-I247 WeakPolarHBondContact O-CG2 3.21Å; I247-T249 VanDerWaalsContact C-N 3.35Å; I247-M250 PolarHBondContact O-N 3.2Å; I247-H251 WeakPolarHBondContact O-CB 3.38Å; I247-H251 PolarHBondContact O-N 3.4Å; I247-L261 HydrophobicContact CD1-CD1 4.16Å; I247-L261 HydrophobicContact CG1-CD1 4.24Å; I247-L261 HydrophobicContact CG2-CD1 4.23Å
248Y91.3Very high90.2Very high100 Ų10059.5 Ų59.539%0.39229%0.29SS..Hα-helixtrans-62.6-44.9171-82.4-62.4000111.1L244 H245 M250 H251 Q252 L261L244-Y248 HydrophobicContact CD1-CD2 4.31Å; L244-Y248 HydrophobicContact CD1-CE2 3.65Å; L244-Y248 HydrophobicContact CG-CD2 4.28Å; L244-Y248 HydrophobicContact CG-CE2 3.88Å; L244-Y248 WeakPolarHBondContact O-CD2 3.32Å; L244-Y248 PolarHBondContact O-N 3.4Å; H245-Y248 PolarHBondContact O-N 3.48Å; Y248-M250 VanDerWaalsContact C-N 3.31Å; Y248-M250 PolarHBondContact O-N 3.34Å; Y248-H251 PolarHBondContact O-N 3.18Å; Y248-Q252 VanDerWaalsContact O-CG 3.3Å; Y248-Q252 WeakPolarHBondContact O-CG 3.46Å; Y248-Q252 PolarHBondContact O-N 3.27Å; Y248-L261 HydrophobicContact CD1-CD2 3.62Å; Y248-L261 HydrophobicContact CE1-CD2 3.57Å
249T90.1Very high90.3Very high35 Ų3560 Ų6022%0.21529%0.294CS..Hα-helixtrans-61.1-42.6175.7-55.40000110.9T146 H245 T246 I247 Q252 N253T146-T249 HydrophobicContact CG2-CG2 4.04Å; H245-T249 PolarHBondContact O-N 3.18Å; H245-T249 PolarHBondContact O-OG1 2.92Å; H245-T249 VanDerWaalsContact O-OG1 3.09Å; T246-T249 WeakPolarHBondContact O-CB 3.22Å; T246-T249 PolarHBondContact O-N 3.38Å; I247-T249 VanDerWaalsContact C-N 3.35Å; T249-Q252 PolarHBondContact O-N 2.99Å; T249-N253 PolarHBondContact O-N 3.47Å; T249-N253 PolarHBondContact O-ND2 3.48Å
250M91.5Very high90.5Very high0 Ų061.8 Ų61.80%030%0.303CS..Hα-helixtrans-61.1-48.9175.3-178.8169.3-179.100111.8C125 L140 C143 S145 L225 L235 T246 I247 Y248 Q252 N253 M254C125-M250 HydrophobicContact CB-CE 4.49Å; L140-M250 HydrophobicContact CD1-CE 3.8Å; C143-M250 HydrophobicContact CB-SD 3.96Å; S145-M250 WeakPolarHBondContact OG-CB 3.49Å; L225-M250 HydrophobicContact CD1-CE 4.15Å; L225-M250 HydrophobicContact CD1-CG 3.74Å; L225-M250 HydrophobicContact CD2-CE 4.16Å; L235-M250 HydrophobicContact CD2-CE 4.15Å; L235-M250 HydrophobicContact CD2-CG 4.42Å; L235-M250 HydrophobicContact CD2-SD 4.02Å; T246-M250 WeakPolarHBondContact O-CB 3.41Å; T246-M250 PolarHBondContact O-N 2.97Å; I247-M250 PolarHBondContact O-N 3.2Å; Y248-M250 VanDerWaalsContact C-N 3.31Å; Y248-M250 PolarHBondContact O-N 3.34Å; M250-Q252 VanDerWaalsContact C-N 3.32Å; M250-Q252 PolarHBondContact O-N 2.84Å; M250-N253 PolarHBondContact O-N 3.21Å; M250-N253 VanDerWaalsContact O-N 3.1Å; M250-M254 HydrophobicContact CE-SD 4.2Å; M250-M254 HydrophobicContact CG-SD 4.07Å; M250-M254 WeakPolarHBondContact O-CG 3.07Å; M250-M254 PolarHBondContact O-N 2.92Å
251H94Very high90.9Very high52 Ų5257.9 Ų57.924%0.24129%0.288CS..Hα-helixtrans-61.4-38179.3-176.3-121.3000112.6L235 I247 Y248 N253 M254 L261L235-H251 HydrophobicContact CD1-CB 3.57Å; I247-H251 WeakPolarHBondContact O-CB 3.38Å; I247-H251 PolarHBondContact O-N 3.4Å; Y248-H251 PolarHBondContact O-N 3.18Å; H251-N253 PolarHBondContact O-N 3.21Å; H251-M254 PolarHBondContact O-N 2.66Å; H251-M254 VanDerWaalsContact O-N 3.14Å; H251-L261 HydrophobicContact CB-CD2 4.25Å
252Q93.2Very high91.4Very high151 Ų15159.9 Ų59.971%0.70630%0.296SS*.Hα-helixtrans-63-28.9176.2-75.8173.8-10.900113.1Y248 T249 M250Y248-Q252 VanDerWaalsContact O-CG 3.3Å; Y248-Q252 WeakPolarHBondContact O-CG 3.46Å; Y248-Q252 PolarHBondContact O-N 3.27Å; T249-Q252 PolarHBondContact O-N 2.99Å; M250-Q252 VanDerWaalsContact C-N 3.32Å; M250-Q252 PolarHBondContact O-N 2.84Å
253N93.1Very high92.1Very high61 Ų6159.9 Ų59.933%0.32629%0.294SS..THydrogen-bonded Turntrans-90.7-0178-72.3-66000113.2S222 L225 A226 T249 M250 H251S222-N253 WeakPolarHBondContact O-CB 3.38Å; L225-N253 WeakPolarHBondContact CB-O 3.17Å; L225-N253 HydrophobicContact CD1-CB 4.42Å; A226-N253 WeakPolarHBondContact CB-O 3.28Å; A226-N253 PolarHBondContact N-O 3.49Å; T249-N253 PolarHBondContact O-N 3.47Å; T249-N253 PolarHBondContact O-ND2 3.48Å; M250-N253 PolarHBondContact O-N 3.21Å; M250-N253 VanDerWaalsContact O-N 3.1Å; H251-N253 PolarHBondContact O-N 3.21Å
254M94.4Very high92.6Very high10 Ų1059.4 Ų59.45%0.04929%0.293CS..SBendtrans-94.9158.9175.5-71.7170.271.500111.4L225 L229 A233 L235 M250 H251 K256L225-M254 HydrophobicContact CB-CG 3.85Å; L225-M254 HydrophobicContact CD1-CG 3.88Å; L225-M254 HydrophobicContact CD2-CG 4.32Å; L225-M254 HydrophobicContact CG-CG 4.23Å; L229-M254 HydrophobicContact CD2-CE 3.33Å; L229-M254 HydrophobicContact CD2-SD 4.4Å; A233-M254 HydrophobicContact CB-CE 3.39Å; L235-M254 HydrophobicContact CD1-CE 4.38Å; L235-M254 HydrophobicContact CD1-SD 3.69Å; L235-M254 HydrophobicContact CD2-SD 4.17Å; L235-M254 HydrophobicContact CG-CE 4.45Å; L235-M254 HydrophobicContact CG-SD 4.19Å; M250-M254 HydrophobicContact CE-SD 4.2Å; M250-M254 HydrophobicContact CG-SD 4.07Å; M250-M254 WeakPolarHBondContact O-CG 3.07Å; M250-M254 PolarHBondContact O-N 2.92Å; H251-M254 PolarHBondContact O-N 2.66Å; H251-M254 VanDerWaalsContact O-N 3.14Å; M254-K256 PolarHBondContact O-N 3.35Å
255S91.9Very high92.9Very high30 Ų3062.4 Ų62.421%0.2131%0.309CS..  trans-71.1125.3173.3146.80000110.3H257 N258 S259S255-H257 PolarHBondContact O-N 3.36Å; S255-H257 PolarHBondContact OG-N 3.13Å; S255-N258 WeakPolarHBondContact CB-OD1 3.4Å; S255-N258 PolarHBondContact O-N 3.37Å; S255-N258 PolarHBondContact O-OD1 3.28Å; S255-N258 VanDerWaalsContact O-OD1 3.07Å; S255-N258 PolarHBondContact OG-OD1 2.93Å; S255-S259 WeakPolarHBondContact O-CB 3.46Å; S255-S259 PolarHBondContact O-N 2.82Å; S255-S259 PolarHBondContact O-OG 3.08Å
256K88.9Confident93.1Very high189 Ų18960.8 Ų60.882%0.82231%0.305SS*.THydrogen-bonded Turntrans-61.7-12.9178.8-63.8-177.9-179.5177.80114.1M254M254-K256 PolarHBondContact O-N 3.35Å
257H90Very high93.2Very high179 Ų17960.8 Ų60.883%0.82931%0.305SS*.THydrogen-bonded Turntrans-82.7-27.9-177.9-63.8-66.3000113.4S255S255-H257 PolarHBondContact O-N 3.36Å; S255-H257 PolarHBondContact OG-N 3.13Å
258N92Very high93Very high17 Ų1761.6 Ų61.69%0.09131%0.314CS..SBendtrans-13117.1-172.866-36.9000112.7L229 V231 E232 A233 S255L229-N258 PolarHBondContact O-ND2 3.44Å; V231-N258 PolarHBondContact O-ND2 3Å; E232-N258 CarbonylContact C-O 3.58Å; E232-N258 WeakPolarHBondContact CA-O 3.33Å; E232-N258 VanDerWaalsContact OE1-CB 3.27Å; E232-N258 WeakPolarHBondContact OE1-CB 3.43Å; E232-N258 WeakPolarHBondContact OE2-CA 3.3Å; A233-N258 PolarHBondContact N-O 3.11Å; S255-N258 WeakPolarHBondContact CB-OD1 3.4Å; S255-N258 PolarHBondContact O-N 3.37Å; S255-N258 PolarHBondContact O-OD1 3.28Å; S255-N258 VanDerWaalsContact O-OD1 3.07Å; S255-N258 PolarHBondContact OG-OD1 2.93Å
259S95.6Very high92.9Very high10 Ų1057.4 Ų57.47%0.0730%0.298CS..EExtended strand (participates in β ladder)trans-127.4131.6176.672.40000111.3A233 S255A233-S259 CarbonylContact O-C 3.53Å; A233-S259 WeakPolarHBondContact O-CA 3.46Å; S255-S259 WeakPolarHBondContact O-CB 3.46Å; S255-S259 PolarHBondContact O-N 2.82Å; S255-S259 PolarHBondContact O-OG 3.08Å
260T96.8Very high93.2Very high78 Ų7855.8 Ų55.848%0.47929%0.288SS..EExtended strand (participates in β ladder)trans-122.2135173.2-61.20000109.4A233 L234 L235A233-T260 PolarHBondContact O-N 3.21Å; L234-T260 HydrophobicContact CD1-CG2 4.04Å; L235-T260 PolarHBondContact N-O 3.24Å
261L97.1Very high93.3Very high38 Ų3856.2 Ų56.220%0.19929%0.29CS..EExtended strand (participates in β ladder)trans-108.5123.5174.2176.863.4000110.9L235 V237 I247 Y248 H251 V263L235-L261 HydrophobicContact CB-CD1 3.67Å; L235-L261 HydrophobicContact CD1-CD1 4.38Å; V237-L261 HydrophobicContact CG1-CD1 4.34Å; I247-L261 HydrophobicContact CD1-CD1 4.16Å; I247-L261 HydrophobicContact CG1-CD1 4.24Å; I247-L261 HydrophobicContact CG2-CD1 4.23Å; Y248-L261 HydrophobicContact CD1-CD2 3.62Å; Y248-L261 HydrophobicContact CE1-CD2 3.57Å; H251-L261 HydrophobicContact CB-CD2 4.25Å; L261-V263 HydrophobicContact CD2-CG2 4.39Å; L261-V263 HydrophobicContact CG-CG2 4.23Å
262L97.5Very high93.2Very high53 Ų5358.3 Ų58.328%0.27731%0.306SS..EExtended strand (participates in β ladder)trans-109.6119.3170.4175.263.5000110.3L234 L235 V236 V237 V264 A281L234-L262 HydrophobicContact CD1-CB 4.32Å; L235-L262 PolarHBondContact O-N 2.88Å; V236-L262 WeakPolarHBondContact CA-O 3.4Å; V236-L262 HydrophobicContact CG1-CD2 4.15Å; V236-L262 HydrophobicContact CG1-CG 4.37Å; V236-L262 HydrophobicContact CG2-CB 4.45Å; V236-L262 HydrophobicContact CG2-CD2 4.49Å; V237-L262 PolarHBondContact N-O 3.38Å; L262-V264 HydrophobicContact CD2-CG2 4.38Å; L262-V264 HydrophobicContact CG-CG2 4.24Å; L262-A281 HydrophobicContact CD2-CB 3.33Å
263V97.6Very high93.2Very high39 Ų3956.4 Ų56.424%0.23630%0.298CS..EExtended strand (participates in β ladder)trans-102.1126169.8-175.40000108.5V237 L244 L261V237-V263 HydrophobicContact CG1-CB 4.28Å; V237-V263 HydrophobicContact CG1-CG1 4.25Å; V237-V263 HydrophobicContact CG1-CG2 3.83Å; V237-V263 CarbonylContact O-C 3.51Å; V237-V263 WeakPolarHBondContact O-CA 3.44Å; L244-V263 HydrophobicContact CD1-CG1 4.23Å; L261-V263 HydrophobicContact CD2-CG2 4.39Å; L261-V263 HydrophobicContact CG-CG2 4.23Å
264V96.6Very high93.4Very high4 Ų454 Ų542%0.02429%0.286CS..EExtended strand (participates in β ladder)trans-97.9115.8178.9-177.10000109.4V236 V237 S239 L262 V267 V270 A274 K277V236-V264 HydrophobicContact CG1-CG2 4.18Å; V237-V264 PolarHBondContact O-N 3.37Å; S239-V264 PolarHBondContact N-O 3.14Å; S239-V264 PolarHBondContact OG-O 2.92Å; S239-V264 VanDerWaalsContact OG-O 3.11Å; L262-V264 HydrophobicContact CD2-CG2 4.38Å; L262-V264 HydrophobicContact CG-CG2 4.24Å; V264-V267 HydrophobicContact CG1-CB 4.08Å; V264-V267 HydrophobicContact CG1-CG2 3.92Å; V264-V270 HydrophobicContact CB-CG2 4.21Å; V264-V270 HydrophobicContact CG2-CG1 4.12Å; V264-V270 HydrophobicContact CG2-CG2 4.17Å; V264-A274 HydrophobicContact CG1-CB 3.84Å; V264-K277 HydrophobicContact CG1-CD 3.6Å
265D93.7Very high93.5Very high110 Ų11054.7 Ų54.759%0.58829%0.291SS*.THydrogen-bonded Turntrans-63.9143.7-179.2-58.3-41.9000112.6S239 V267S239-D265 WeakPolarHBondContact OG-CA 3.36Å; D265-V267 VanDerWaalsContact C-N 3.26Å; D265-V267 WeakPolarHBondContact O-CG2 3.41Å; D265-V267 PolarHBondContact O-N 3.34Å
266D91Very high93.7Very high110 Ų11060.3 Ų60.359%0.58831%0.314SS*.THydrogen-bonded Turntrans6412.6173.3-152.749.3000117.3S239 K240S239-D266 PolarHBondContact OG-N 3.39Å; K240-D266 WeakPolarHBondContact CE-O 3.43Å; K240-D266 WeakPolarHBondContact CE-OD1 3.16Å; K240-D266 PolarHBondContact NZ-O 2.91Å; K240-D266 IonicContact NZ-OD1 3.13Å; K240-D266 PolarHBondContact NZ-OD1 3.37Å; K240-D266 IonicContact NZ-OD2 2.59Å; K240-D266 PolarHBondContact NZ-OD2 2.98Å
267V90.7Very high94.1Very high11 Ų1156.5 Ų56.57%0.06730%0.298CS..  trans-118.7141.4-170.6168.30000112.5G238 S239 K240 V264 D265 D269 V270 E273 A274G238-V267 CarbonylContact C-O 3.59Å; G238-V267 WeakPolarHBondContact CA-O 3.5Å; S239-V267 PolarHBondContact N-O 3.49Å; K240-V267 WeakPolarHBondContact CB-O 3.17Å; K240-V267 PolarHBondContact N-O 2.93Å; V264-V267 HydrophobicContact CG1-CB 4.08Å; V264-V267 HydrophobicContact CG1-CG2 3.92Å; D265-V267 VanDerWaalsContact C-N 3.26Å; D265-V267 WeakPolarHBondContact O-CG2 3.41Å; D265-V267 PolarHBondContact O-N 3.34Å; V267-D269 VanDerWaalsContact CG1-C 3.48Å; V267-D269 WeakPolarHBondContact CG1-O 3.31Å; V267-V270 HydrophobicContact CG1-CB 4.47Å; V267-V270 HydrophobicContact CG1-CG2 3.94Å; V267-E273 HydrophobicContact CG1-CB 3.82Å; V267-E273 HydrophobicContact CG1-CG 4.47Å; V267-E273 HydrophobicContact CG2-CB 4.13Å; V267-A274 HydrophobicContact CG1-CB 4.45Å; V267-A274 HydrophobicContact CG2-CB 3.86Å
268G86.6Confident94.5Very high17 Ų1748 Ų4818%0.17526%0.258CS..SBendtrans-94.2-57.5167.600000111.9H142 A241 E273H142-G268 PolarHBondContact CE1-O 3.16Å; H142-G268 VanDerWaalsContact CE1-O 3.3Å; H142-G268 PolarHBondContact NE2-O 2.95Å; A241-G268 WeakPolarHBondContact CB-O 3.49Å; G268-E273 WeakPolarHBondContact CA-OE1 3.26Å; G268-E273 PolarHBondContact N-OE1 3.44Å
269D89.6Confident94.8Very high12 Ų1247.2 Ų47.26%0.06425%0.254CS..  trans-101.3104.4178.4178.8-9.2000111.2K180 V267 L271 T272 E273K180-D269 IonicContact NZ-OD2 3.58Å; K180-D269 PolarHBondContact NZ-OD2 3.36Å; V267-D269 VanDerWaalsContact CG1-C 3.48Å; V267-D269 WeakPolarHBondContact CG1-O 3.31Å; D269-L271 PolarHBondContact O-N 2.96Å; D269-L271 PolarHBondContact OD1-N 2.49Å; D269-T272 WeakPolarHBondContact CB-OG1 3.28Å; D269-T272 PolarHBondContact O-N 3.42Å; D269-T272 PolarHBondContact OD1-N 2.91Å; D269-T272 PolarHBondContact OD1-OG1 3.49Å; D269-T272 WeakPolarHBondContact OD2-CG2 3.3Å; D269-T272 PolarHBondContact OD2-OG1 2.84Å; D269-E273 HydrophobicContact CB-CG 4.5Å; D269-E273 PolarHBondContact N-OE1 3.17Å; D269-E273 WeakPolarHBondContact O-CB 3.31Å; D269-E273 WeakPolarHBondContact O-CG 3.43Å; D269-E273 PolarHBondContact O-N 3.35Å
270V94.7Very high94.8Very high0 Ų052.3 Ų52.30%027%0.272CS..Hα-helixtrans-68.7-33-175.8178.30000112.6V236 V264 V267 T272 A274 L278V236-V270 HydrophobicContact CG1-CG1 3.98Å; V236-V270 HydrophobicContact CG1-CG2 4.47Å; V264-V270 HydrophobicContact CB-CG2 4.21Å; V264-V270 HydrophobicContact CG2-CG1 4.12Å; V264-V270 HydrophobicContact CG2-CG2 4.17Å; V267-V270 HydrophobicContact CG1-CB 4.47Å; V267-V270 HydrophobicContact CG1-CG2 3.94Å; V270-T272 VanDerWaalsContact C-N 3.34Å; V270-T272 PolarHBondContact O-N 3.43Å; V270-A274 CarbonylContact O-C 3.47Å; V270-A274 VanDerWaalsContact O-C 3.23Å; V270-A274 PolarHBondContact O-N 3.01Å; V270-L278 HydrophobicContact CG1-CB 3.84Å; V270-L278 HydrophobicContact CG1-CD1 4.44Å; V270-L278 HydrophobicContact CG1-CD2 4.14Å; V270-L278 HydrophobicContact CG1-CG 4.36Å
271L94.8Very high94.8Very high9 Ų949.2 Ų49.25%0.04725%0.254CS..Hα-helixtrans-66.9-38.7-178.4-72.5173.4000111.3L51 F54 E117 I141 D269 L278L51-L271 HydrophobicContact CD2-CD1 4.19Å; L51-L271 HydrophobicContact CD2-CD2 4.23Å; F54-L271 HydrophobicContact CB-CD2 3.77Å; F54-L271 HydrophobicContact CD1-CD2 3.89Å; F54-L271 HydrophobicContact CD2-CD2 3.94Å; F54-L271 HydrophobicContact CG-CD2 3.57Å; E117-L271 HydrophobicContact CB-CD1 4.35Å; E117-L271 HydrophobicContact CG-CD1 4.08Å; E117-L271 WeakPolarHBondContact OE2-CD1 3.44Å; I141-L271 HydrophobicContact CD1-CD2 3.75Å; I141-L271 HydrophobicContact CD1-CG 4.27Å; D269-L271 PolarHBondContact O-N 2.96Å; D269-L271 PolarHBondContact OD1-N 2.49Å; L271-L278 HydrophobicContact CD2-CD2 3.53Å; L271-L278 HydrophobicContact CG-CD2 4.4Å
272T92.3Very high94.9Very high96 Ų9647.4 Ų47.459%0.58925%0.245SC*.Hα-helixtrans-96.1-39.2-175.361.50000113.4D269 V270D269-T272 WeakPolarHBondContact CB-OG1 3.28Å; D269-T272 PolarHBondContact O-N 3.42Å; D269-T272 PolarHBondContact OD1-N 2.91Å; D269-T272 PolarHBondContact OD1-OG1 3.49Å; D269-T272 WeakPolarHBondContact OD2-CG2 3.3Å; D269-T272 PolarHBondContact OD2-OG1 2.84Å; V270-T272 VanDerWaalsContact C-N 3.34Å; V270-T272 PolarHBondContact O-N 3.43Å
273E93.5Very high94.8Very high112 Ų11245 Ų4552%0.52323%0.232SC..Hα-helixtrans-89.9-27.1-173.7-57.3179.6-112.100113.4V267 G268 D269V267-E273 HydrophobicContact CG1-CB 3.82Å; V267-E273 HydrophobicContact CG1-CG 4.47Å; V267-E273 HydrophobicContact CG2-CB 4.13Å; G268-E273 WeakPolarHBondContact CA-OE1 3.26Å; G268-E273 PolarHBondContact N-OE1 3.44Å; D269-E273 HydrophobicContact CB-CG 4.5Å; D269-E273 PolarHBondContact N-OE1 3.17Å; D269-E273 WeakPolarHBondContact O-CB 3.31Å; D269-E273 WeakPolarHBondContact O-CG 3.43Å; D269-E273 PolarHBondContact O-N 3.35Å
274A96.2Very high94.8Very high9 Ų946.8 Ų46.87%0.07424%0.24CC..  trans-138.650.6-177.900000114.4V264 V267 V270 E276 K277 L278V264-A274 HydrophobicContact CG1-CB 3.84Å; V267-A274 HydrophobicContact CG1-CB 4.45Å; V267-A274 HydrophobicContact CG2-CB 3.86Å; V270-A274 CarbonylContact O-C 3.47Å; V270-A274 VanDerWaalsContact O-C 3.23Å; V270-A274 PolarHBondContact O-N 3.01Å; A274-E276 PolarHBondContact O-N 3.24Å; A274-K277 HydrophobicContact CB-CB 4.31Å; A274-K277 HydrophobicContact CB-CD 4.24Å; A274-K277 HydrophobicContact CB-CG 4.47Å; A274-K277 PolarHBondContact O-N 3.29Å; A274-L278 PolarHBondContact O-N 2.85Å; A274-L278 VanDerWaalsContact O-N 3.16Å
275P96.9Very high94.9Very high25 Ų2547.7 Ų47.716%0.16224%0.243CC..Hα-helixtrans-58.5-35.7-178.724.5-34.5000112.2F54 T57 K277 L278 T279F54-P275 HydrophobicContact CD2-CB 4.04Å; F54-P275 HydrophobicContact CE2-CB 4.09Å; T57-P275 HydrophobicContact CG2-CB 3.86Å; T57-P275 HydrophobicContact CG2-CG 4.22Å; P275-K277 PolarHBondContact O-N 2.99Å; P275-L278 PolarHBondContact O-N 2.83Å; P275-T279 WeakPolarHBondContact O-CB 3.44Å; P275-T279 PolarHBondContact O-N 3.24Å; P275-T279 PolarHBondContact O-OG1 3.17Å
276E96.7Very high95Very high148 Ų14842.4 Ų42.469%0.69222%0.215SC*.Hα-helixtrans-63.3-42.5179.8-60.2-178.1-179.200112.9A274 T279 R280A274-E276 PolarHBondContact O-N 3.24Å; E276-T279 PolarHBondContact O-N 2.98Å; E276-R280 PolarHBondContact O-N 3.45Å
277K97Very high95.3Very high110 Ų11039.9 Ų39.948%0.47820%0.199SC..Hα-helixtrans-67.1-42.8178.1-67.2-177.7-178.6176.80110.4V264 A274 P275 R280 A281V264-K277 HydrophobicContact CG1-CD 3.6Å; A274-K277 HydrophobicContact CB-CB 4.31Å; A274-K277 HydrophobicContact CB-CD 4.24Å; A274-K277 HydrophobicContact CB-CG 4.47Å; A274-K277 PolarHBondContact O-N 3.29Å; P275-K277 PolarHBondContact O-N 2.99Å; K277-R280 PolarHBondContact O-N 3Å; K277-A281 PolarHBondContact O-N 2.69Å; K277-A281 VanDerWaalsContact O-N 3.13Å
278L97.5Very high95.5Very high0 Ų042.7 Ų42.70%023%0.23CC..Hα-helixtrans-63.3-45.3175.7177.958.9000111.8F54 I141 V236 V270 L271 A274 P275 R280 A281 L282F54-L278 HydrophobicContact CD2-CD2 4.09Å; F54-L278 HydrophobicContact CE1-CD2 4.11Å; F54-L278 HydrophobicContact CE1-CG 4.49Å; F54-L278 HydrophobicContact CE2-CB 4.15Å; F54-L278 HydrophobicContact CE2-CD2 3.57Å; F54-L278 HydrophobicContact CE2-CG 3.91Å; F54-L278 HydrophobicContact CZ-CB 4.33Å; F54-L278 HydrophobicContact CZ-CD2 3.58Å; F54-L278 HydrophobicContact CZ-CG 3.69Å; I141-L278 HydrophobicContact CD1-CD1 4.06Å; I141-L278 HydrophobicContact CD1-CD2 3.64Å; I141-L278 HydrophobicContact CD1-CG 4.5Å; I141-L278 HydrophobicContact CG1-CD1 4.34Å; V236-L278 HydrophobicContact CB-CD1 4.37Å; V236-L278 HydrophobicContact CG1-CD1 4.09Å; V236-L278 HydrophobicContact CG2-CD1 4Å; V270-L278 HydrophobicContact CG1-CB 3.84Å; V270-L278 HydrophobicContact CG1-CD1 4.44Å; V270-L278 HydrophobicContact CG1-CD2 4.14Å; V270-L278 HydrophobicContact CG1-CG 4.36Å; L271-L278 HydrophobicContact CD2-CD2 3.53Å; L271-L278 HydrophobicContact CG-CD2 4.4Å; A274-L278 PolarHBondContact O-N 2.85Å; A274-L278 VanDerWaalsContact O-N 3.16Å; P275-L278 PolarHBondContact O-N 2.83Å; L278-R280 VanDerWaalsContact C-N 3.33Å; L278-R280 PolarHBondContact O-N 2.98Å; L278-A281 PolarHBondContact O-N 2.84Å; L278-L282 WeakPolarHBondContact O-CB 3.19Å; L278-L282 PolarHBondContact O-N 2.95Å
279T97.6Very high95.9Very high0 Ų043 Ų430%023%0.229CC..Hα-helixtrans-60.2-42.9177.7-62.30000111.8S59 M60 P275 E276 A281 L282 I283S59-T279 VanDerWaalsContact O-CG2 3.28Å; S59-T279 WeakPolarHBondContact O-CG2 3.16Å; S59-T279 PolarHBondContact OG-OG1 3.43Å; M60-T279 HydrophobicContact CG-CG2 4.13Å; M60-T279 VanDerWaalsContact CG-OG1 3.29Å; M60-T279 WeakPolarHBondContact CG-OG1 3.41Å; M60-T279 HydrophobicContact SD-CG2 3.54Å; M60-T279 VanDerWaalsContact SD-CG2 3.54Å; M60-T279 PolarHBondContact SD-OG1 3.45Å; M60-T279 VanDerWaalsContact SD-OG1 3.34Å; P275-T279 WeakPolarHBondContact O-CB 3.44Å; P275-T279 PolarHBondContact O-N 3.24Å; P275-T279 PolarHBondContact O-OG1 3.17Å; E276-T279 PolarHBondContact O-N 2.98Å; T279-A281 VanDerWaalsContact C-N 3.34Å; T279-A281 PolarHBondContact O-N 3.29Å; T279-L282 PolarHBondContact O-N 3.32Å; T279-I283 HydrophobicContact CG2-CD1 3.82Å; T279-I283 HydrophobicContact CG2-CG1 4.41Å; T279-I283 VanDerWaalsContact O-CG1 3.31Å; T279-I283 WeakPolarHBondContact O-CG1 3.5Å; T279-I283 PolarHBondContact O-N 3.23Å
280R96.3Very high96.1Very high118 Ų11845.3 Ų45.345%0.44526%0.256SS..Hα-helixtrans-59.7-45.4175.7-176.1179.4177.2-159.7-1.2111.5E276 K277 L278 I283 L284 I297 P298E276-R280 PolarHBondContact O-N 3.45Å; K277-R280 PolarHBondContact O-N 3Å; L278-R280 VanDerWaalsContact C-N 3.33Å; L278-R280 PolarHBondContact O-N 2.98Å; R280-I283 PolarHBondContact O-N 3.45Å; R280-L284 HydrophobicContact CG-CD1 4.37Å; R280-L284 WeakPolarHBondContact O-CG 3.39Å; R280-L284 PolarHBondContact O-N 3.41Å; R280-L284 VanDerWaalsContact O-N 3.11Å; R280-I297 HydrophobicContact CG-CG2 4.21Å; R280-P298 PolarHBondContact NE-O 3.46Å
281A97.2Very high96.2Very high13 Ų1346.1 Ų46.111%0.10726%0.261CS..Hα-helixtrans-64.4-43.1177.700000112.2L234 L262 K277 L278 T279 I283 L284 F285L234-A281 HydrophobicContact CD2-CB 4.07Å; L262-A281 HydrophobicContact CD2-CB 3.33Å; K277-A281 PolarHBondContact O-N 2.69Å; K277-A281 VanDerWaalsContact O-N 3.13Å; L278-A281 PolarHBondContact O-N 2.84Å; T279-A281 VanDerWaalsContact C-N 3.34Å; T279-A281 PolarHBondContact O-N 3.29Å; A281-I283 PolarHBondContact O-N 2.8Å; A281-L284 PolarHBondContact O-N 3.42Å; A281-F285 WeakPolarHBondContact O-CB 3.41Å; A281-F285 PolarHBondContact O-N 2.59Å
282L98Very high96.1Very high0 Ų046.3 Ų46.30%026%0.262CS..Hα-helixtrans-58.4-46.9175.4-179.2154.9000111.3F38 F54 M60 V63 I139 L278 T279 F285 C286F38-L282 HydrophobicContact CE1-CD1 4.37Å; F38-L282 HydrophobicContact CE1-CD2 4.38Å; F38-L282 HydrophobicContact CZ-CD2 4.23Å; F54-L282 HydrophobicContact CE1-CD1 4.27Å; M60-L282 HydrophobicContact CE-CD1 4.14Å; M60-L282 HydrophobicContact SD-CD1 4.43Å; V63-L282 HydrophobicContact CG1-CD2 3.96Å; V63-L282 HydrophobicContact CG2-CD2 4.17Å; I139-L282 HydrophobicContact CD1-CB 4.15Å; I139-L282 HydrophobicContact CD1-CD1 3.88Å; I139-L282 HydrophobicContact CD1-CG 3.64Å; L278-L282 WeakPolarHBondContact O-CB 3.19Å; L278-L282 PolarHBondContact O-N 2.95Å; T279-L282 PolarHBondContact O-N 3.32Å; L282-F285 PolarHBondContact O-N 3.13Å; L282-C286 VanDerWaalsContact O-CB 3.27Å; L282-C286 WeakPolarHBondContact O-CB 3.47Å; L282-C286 PolarHBondContact O-N 3.42Å; L282-C286 PolarHBondContact O-SG 2.94Å
283I97.3Very high95.8Very high2 Ų246.2 Ų46.21%0.0127%0.265CS..Hα-helixtrans-61.8-46.9178.7-69.2164000110.6V63 T279 R280 A281 F285 C286 K287 I295 I297 P298V63-I283 HydrophobicContact CG2-CD1 3.92Å; V63-I283 HydrophobicContact CG2-CG1 3.57Å; T279-I283 HydrophobicContact CG2-CD1 3.82Å; T279-I283 HydrophobicContact CG2-CG1 4.41Å; T279-I283 VanDerWaalsContact O-CG1 3.31Å; T279-I283 WeakPolarHBondContact O-CG1 3.5Å; T279-I283 PolarHBondContact O-N 3.23Å; R280-I283 PolarHBondContact O-N 3.45Å; A281-I283 PolarHBondContact O-N 2.8Å; I283-F285 PolarHBondContact O-N 3.18Å; I283-C286 PolarHBondContact O-N 3.19Å; I283-K287 HydrophobicContact CG2-CD 4.31Å; I283-K287 WeakPolarHBondContact O-CB 3.39Å; I283-K287 VanDerWaalsContact O-CG 3.27Å; I283-K287 WeakPolarHBondContact O-CG 3.36Å; I283-K287 PolarHBondContact O-N 2.77Å; I283-I295 HydrophobicContact CD1-CG2 3.85Å; I283-I295 HydrophobicContact CG1-CG2 4.15Å; I283-I295 HydrophobicContact CG2-CB 4.41Å; I283-I295 HydrophobicContact CG2-CG2 4Å; I283-I297 HydrophobicContact CG2-CG1 4.03Å; I283-P298 HydrophobicContact CD1-CG 4.14Å
284L96.7Very high95.4Very high77 Ų7743.2 Ų43.240%0.40327%0.265SS..Hα-helixtrans-60.4-45.2178.7-74.5170000111.8R280 A281 K287 G288 I297R280-L284 HydrophobicContact CG-CD1 4.37Å; R280-L284 WeakPolarHBondContact O-CG 3.39Å; R280-L284 PolarHBondContact O-N 3.41Å; R280-L284 VanDerWaalsContact O-N 3.11Å; A281-L284 PolarHBondContact O-N 3.42Å; L284-K287 PolarHBondContact O-N 3.17Å; L284-G288 PolarHBondContact O-N 3Å; L284-I297 HydrophobicContact CD2-CD1 3.51Å; L284-I297 HydrophobicContact CD2-CG1 3.97Å; L284-I297 HydrophobicContact CD2-CG2 4.14Å; L284-I297 HydrophobicContact CG-CG2 4.31Å
285F97.8Very high94.9Very high22 Ų2242.9 Ų42.910%0.09626%0.261CS..Hα-helixtrans-62.1-52.2177.5176-101.4000112V113 I139 E232 L234 A281 L282 I283 K287 G288 C289V113-F285 HydrophobicContact CG1-CE1 4.45Å; I139-F285 HydrophobicContact CD1-CD1 3.89Å; I139-F285 HydrophobicContact CD1-CE1 4.33Å; I139-F285 HydrophobicContact CG1-CD1 3.61Å; I139-F285 HydrophobicContact CG1-CE1 3.69Å; I139-F285 HydrophobicContact CG1-CG 4.41Å; E232-F285 HydrophobicContact CB-CE2 3.85Å; E232-F285 HydrophobicContact CB-CZ 4.07Å; E232-F285 WeakPolarHBondContact O-CZ 3.25Å; L234-F285 HydrophobicContact CB-CB 4.46Å; L234-F285 HydrophobicContact CB-CD2 3.61Å; L234-F285 HydrophobicContact CB-CE2 3.86Å; L234-F285 HydrophobicContact CB-CG 3.94Å; L234-F285 HydrophobicContact CB-CZ 4.41Å; L234-F285 HydrophobicContact CD2-CB 3.92Å; L234-F285 HydrophobicContact CD2-CG 4.24Å; A281-F285 WeakPolarHBondContact O-CB 3.41Å; A281-F285 PolarHBondContact O-N 2.59Å; L282-F285 PolarHBondContact O-N 3.13Å; I283-F285 PolarHBondContact O-N 3.18Å; F285-K287 VanDerWaalsContact C-N 3.25Å; F285-K287 PolarHBondContact O-N 2.72Å; F285-G288 WeakPolarHBondContact O-CA 3.44Å; F285-G288 PolarHBondContact O-N 3.13Å; F285-C289 PolarHBondContact O-N 3.17Å; F285-C289 PolarHBondContact O-SG 3.24Å; F285-C289 VanDerWaalsContact O-SG 3.32Å
286C97.6Very high94.2Very high0 Ų045.4 Ų45.40%028%0.28CS..Hα-helixtrans-55-42.3177.8-76.60000112L282 I283 C289 G290 V291 L292L282-C286 VanDerWaalsContact O-CB 3.27Å; L282-C286 WeakPolarHBondContact O-CB 3.47Å; L282-C286 PolarHBondContact O-N 3.42Å; L282-C286 PolarHBondContact O-SG 2.94Å; I283-C286 PolarHBondContact O-N 3.19Å; C286-C289 CarbonylContact O-C 3.58Å; C286-C289 PolarHBondContact O-N 3.31Å; C286-C289 VanDerWaalsContact O-N 3.15Å; C286-G290 PolarHBondContact O-N 3.05Å; C286-V291 CarbonylContact C-O 3.5Å; C286-V291 HydrophobicContact CB-CG2 3.89Å; C286-V291 CarbonylContact O-C 3.49Å; C286-V291 VanDerWaalsContact O-CG2 3.29Å; C286-V291 WeakPolarHBondContact O-CG2 3.42Å; C286-V291 PolarHBondContact O-N 3.31Å; C286-L292 HydrophobicContact CB-CB 4.15Å; C286-L292 HydrophobicContact CB-CD1 3.85Å; C286-L292 HydrophobicContact CB-CG 4.23Å
287K95.9Very high93.3Very high57 Ų5739.5 Ų39.525%0.24825%0.252CS..Hα-helixtrans-60.9-43.1174.1-75.2-175.1173.9-154.60112.6I283 L284 F285 C289 G290 V291 S293 I295 I297I283-K287 HydrophobicContact CG2-CD 4.31Å; I283-K287 WeakPolarHBondContact O-CB 3.39Å; I283-K287 VanDerWaalsContact O-CG 3.27Å; I283-K287 WeakPolarHBondContact O-CG 3.36Å; I283-K287 PolarHBondContact O-N 2.77Å; L284-K287 PolarHBondContact O-N 3.17Å; F285-K287 VanDerWaalsContact C-N 3.25Å; F285-K287 PolarHBondContact O-N 2.72Å; K287-C289 PolarHBondContact O-N 3.41Å; K287-G290 PolarHBondContact O-N 3.43Å; K287-V291 WeakPolarHBondContact CA-O 3.35Å; K287-V291 PolarHBondContact N-O 3.38Å; K287-S293 PolarHBondContact NZ-O 3.33Å; K287-I295 WeakPolarHBondContact CE-O 3.13Å; K287-I295 PolarHBondContact NZ-O 2.86Å; K287-I297 HydrophobicContact CD-CD1 4.15Å; K287-I297 HydrophobicContact CD-CG1 4.2Å
288G94.9Very high92Very high70 Ų7037 Ų3772%0.72225%0.247SC*.Hα-helixtrans-59-36.5173.700000112.5L284 F285 G290L284-G288 PolarHBondContact O-N 3Å; F285-G288 WeakPolarHBondContact O-CA 3.44Å; F285-G288 PolarHBondContact O-N 3.13Å; G288-G290 PolarHBondContact O-N 2.64Å
289C95.1Very high90.6Very high23 Ų2341 Ų4116%0.15529%0.288CS..THydrogen-bonded Turntrans-78.42.4174.3-54.60000114.2F136 F285 C286 K287 V291F136-C289 HydrophobicContact CB-CB 4.1Å; F285-C289 PolarHBondContact O-N 3.17Å; F285-C289 PolarHBondContact O-SG 3.24Å; F285-C289 VanDerWaalsContact O-SG 3.32Å; C286-C289 CarbonylContact O-C 3.58Å; C286-C289 PolarHBondContact O-N 3.31Å; C286-C289 VanDerWaalsContact O-N 3.15Å; K287-C289 PolarHBondContact O-N 3.41Å; C289-V291 HydrophobicContact CB-CG2 4.49Å
290G94.9Very high88.8Confident60 Ų6045.6 Ų45.662%0.61931%0.311SS*.THydrogen-bonded Turntrans81.99.7178.600000115.5C286 K287 G288C286-G290 PolarHBondContact O-N 3.05Å; K287-G290 PolarHBondContact O-N 3.43Å; G288-G290 PolarHBondContact O-N 2.64Å
291V95.6Very high86.7Confident17 Ų1749 Ų4910%0.10333%0.332CS..SBendtrans-113160.2177-63.60000111.1T36 V113 F136 C286 K287 C289 S293T36-V291 HydrophobicContact CG2-CB 3.94Å; T36-V291 HydrophobicContact CG2-CG1 4.37Å; T36-V291 HydrophobicContact CG2-CG2 3.95Å; V113-V291 HydrophobicContact CG2-CG2 3.87Å; F136-V291 HydrophobicContact CD1-CG1 4.23Å; F136-V291 HydrophobicContact CD2-CG1 3.85Å; F136-V291 HydrophobicContact CE1-CG1 4.31Å; F136-V291 HydrophobicContact CE2-CG1 3.93Å; F136-V291 HydrophobicContact CG-CG1 4.01Å; F136-V291 HydrophobicContact CZ-CG1 4.16Å; C286-V291 CarbonylContact C-O 3.5Å; C286-V291 HydrophobicContact CB-CG2 3.89Å; C286-V291 CarbonylContact O-C 3.49Å; C286-V291 VanDerWaalsContact O-CG2 3.29Å; C286-V291 WeakPolarHBondContact O-CG2 3.42Å; C286-V291 PolarHBondContact O-N 3.31Å; K287-V291 WeakPolarHBondContact CA-O 3.35Å; K287-V291 PolarHBondContact N-O 3.38Å; C289-V291 HydrophobicContact CB-CG2 4.49Å; V291-S293 PolarHBondContact O-N 2.92Å; V291-S293 VanDerWaalsContact O-N 3.07Å
292L93.6Very high84.3Confident14 Ų1454.5 Ų54.57%0.07336%0.359CS..SBendtrans54.726.7-178.2-56.2-178.3000115.5T36 F38 V63 R66 C286 G294 I295T36-L292 HydrophobicContact CG2-CD2 4.48Å; T36-L292 HydrophobicContact CG2-CG 4.36Å; T36-L292 VanDerWaalsContact OG1-CD2 3.26Å; T36-L292 WeakPolarHBondContact OG1-CD2 3.41Å; F38-L292 HydrophobicContact CE2-CD1 4.16Å; F38-L292 HydrophobicContact CZ-CD1 3.95Å; V63-L292 HydrophobicContact CG1-CD1 3.85Å; V63-L292 HydrophobicContact CG2-CD1 4.46Å; R66-L292 HydrophobicContact CB-CD2 4.02Å; C286-L292 HydrophobicContact CB-CB 4.15Å; C286-L292 HydrophobicContact CB-CD1 3.85Å; C286-L292 HydrophobicContact CB-CG 4.23Å; L292-G294 PolarHBondContact O-N 3.15Å; L292-G294 VanDerWaalsContact O-N 3.15Å; L292-I295 HydrophobicContact CB-CD1 3.98Å; L292-I295 HydrophobicContact CB-CG1 4.35Å; L292-I295 HydrophobicContact CD1-CD1 4.14Å; L292-I295 HydrophobicContact CD2-CD1 3.89Å; L292-I295 HydrophobicContact CG-CD1 4.23Å; L292-I295 PolarHBondContact O-N 3.27Å; L292-I295 VanDerWaalsContact O-N 3.13Å
293S86.4Confident81.6Confident93 Ų9362.9 Ų62.965%0.6540%0.399SS*.THydrogen-bonded Turntrans-54.7-35.2-178.255.90000114K287 V291 I295K287-S293 PolarHBondContact NZ-O 3.33Å; V291-S293 PolarHBondContact O-N 2.92Å; V291-S293 VanDerWaalsContact O-N 3.07Å; S293-I295 VanDerWaalsContact C-N 3.33Å; S293-I295 PolarHBondContact O-N 2.96Å
294G85Confident79.1Confident50 Ų5072.5 Ų72.552%0.51544%0.435SS..THydrogen-bonded Turntrans-79.31-17900000116.5L292L292-G294 PolarHBondContact O-N 3.15Å; L292-G294 VanDerWaalsContact O-N 3.15Å
295I84.6Confident76.5Confident2 Ų275 Ų751%0.0145%0.453CS..SBendtrans-84.9132.9177.7-66.2-173.9000110.4E62 V63 R66 I283 K287 L292 S293E62-I295 HydrophobicContact CB-CD1 4.3Å; E62-I295 HydrophobicContact CB-CG1 4.47Å; E62-I295 HydrophobicContact CB-CG2 4Å; V63-I295 HydrophobicContact CB-CD1 4.31Å; V63-I295 HydrophobicContact CG2-CD1 3.89Å; R66-I295 HydrophobicContact CB-CD1 4.49Å; I283-I295 HydrophobicContact CD1-CG2 3.85Å; I283-I295 HydrophobicContact CG1-CG2 4.15Å; I283-I295 HydrophobicContact CG2-CB 4.41Å; I283-I295 HydrophobicContact CG2-CG2 4Å; K287-I295 WeakPolarHBondContact CE-O 3.13Å; K287-I295 PolarHBondContact NZ-O 2.86Å; L292-I295 HydrophobicContact CB-CD1 3.98Å; L292-I295 HydrophobicContact CB-CG1 4.35Å; L292-I295 HydrophobicContact CD1-CD1 4.14Å; L292-I295 HydrophobicContact CD2-CD1 3.89Å; L292-I295 HydrophobicContact CG-CD1 4.23Å; L292-I295 PolarHBondContact O-N 3.27Å; L292-I295 VanDerWaalsContact O-N 3.13Å; S293-I295 VanDerWaalsContact C-N 3.33Å; S293-I295 PolarHBondContact O-N 2.96Å
296S81.6Confident73.8Confident78 Ų7880.8 Ų80.855%0.54549%0.485SS..PPolyproline II helixtrans-67.4137.4171.8-62.50000110.8P298S296-P298 WeakPolarHBondContact O-CD 3.31Å
297I78.5Confident71.4Confident23 Ų2385.8 Ų85.812%0.11852%0.519CS..PPolyproline II helixtrans-80.1125.1177.3-64.3153.1000108R280 I283 L284 K287 G299 M300R280-I297 HydrophobicContact CG-CG2 4.21Å; I283-I297 HydrophobicContact CG2-CG1 4.03Å; L284-I297 HydrophobicContact CD2-CD1 3.51Å; L284-I297 HydrophobicContact CD2-CG1 3.97Å; L284-I297 HydrophobicContact CD2-CG2 4.14Å; L284-I297 HydrophobicContact CG-CG2 4.31Å; K287-I297 HydrophobicContact CD-CD1 4.15Å; K287-I297 HydrophobicContact CD-CG1 4.2Å; I297-G299 PolarHBondContact O-N 3.36Å; I297-M300 HydrophobicContact CB-CB 4.08Å; I297-M300 HydrophobicContact CB-CG 4.47Å; I297-M300 HydrophobicContact CB-SD 4.06Å; I297-M300 HydrophobicContact CD1-CE 4.07Å; I297-M300 HydrophobicContact CD1-SD 3.91Å; I297-M300 HydrophobicContact CG2-CB 4.27Å; I297-M300 HydrophobicContact CG2-CG 4.17Å; I297-M300 HydrophobicContact CG2-SD 3.68Å; I297-M300 CarbonylContact O-C 3.51Å; I297-M300 PolarHBondContact O-N 3.34Å; I297-M300 VanDerWaalsContact O-O 3.1Å
298P70.5Confident68.9Low57 Ų5787 Ų8737%0.3754%0.535SS..THydrogen-bonded Turntrans-54.9128.9176.4-26.434.9000111.9R280 I283 S296 M300R280-P298 PolarHBondContact NE-O 3.46Å; I283-P298 HydrophobicContact CD1-CG 4.14Å; S296-P298 WeakPolarHBondContact O-CD 3.31Å; P298-M300 VanDerWaalsContact C-N 3.26Å; P298-M300 PolarHBondContact O-N 2.86Å
299G67.1Low66.6Low84 Ų8487.4 Ų87.487%0.86653%0.527SS*.THydrogen-bonded Turntrans80.7-5.4-176.600000115.5I297I297-G299 PolarHBondContact O-N 3.36Å
300M60.6Low64.6Low98 Ų9894.7 Ų94.748%0.48356%0.561SS.*  trans-113.384.7166.7-64.716964.400106.8I297 P298 L302I297-M300 HydrophobicContact CB-CB 4.08Å; I297-M300 HydrophobicContact CB-CG 4.47Å; I297-M300 HydrophobicContact CB-SD 4.06Å; I297-M300 HydrophobicContact CD1-CE 4.07Å; I297-M300 HydrophobicContact CD1-SD 3.91Å; I297-M300 HydrophobicContact CG2-CB 4.27Å; I297-M300 HydrophobicContact CG2-CG 4.17Å; I297-M300 HydrophobicContact CG2-SD 3.68Å; I297-M300 CarbonylContact O-C 3.51Å; I297-M300 PolarHBondContact O-N 3.34Å; I297-M300 VanDerWaalsContact O-O 3.1Å; P298-M300 VanDerWaalsContact C-N 3.26Å; P298-M300 PolarHBondContact O-N 2.86Å; M300-L302 PolarHBondContact O-N 3.42Å; M300-L302 VanDerWaalsContact O-N 3.11Å
301E51.9Low62.7Low189 Ų18999.8 Ų99.888%0.88357%0.568SS**  trans-54.1125.1163.8-70.9-173.3167.700106.5Q303E301-Q303 PolarHBondContact O-N 3.29Å
302L47.2Very low60.7Low129 Ų129104.3 Ų104.368%0.67559%0.589SS**  trans-58.3100.1168.4-144.895.6000103.5M300 R304M300-L302 PolarHBondContact O-N 3.42Å; M300-L302 VanDerWaalsContact O-N 3.11Å; L302-R304 PolarHBondContact O-N 2.97Å
303Q41.1Very low58.9Low176 Ų176107.4 Ų107.482%0.82262%0.616SS**  trans-60.695.7163.6-156.4172.129.900101E301 T305E301-Q303 PolarHBondContact O-N 3.29Å; Q303-T305 PolarHBondContact O-N 2.96Å
304R44.6Very low57.1Low204 Ų204110 Ų11077%0.7762%0.623SS**  trans-53.2105.7165.9-71.4179.5-179.9164.80.1100.2L302 L306L302-R304 PolarHBondContact O-N 2.97Å; R304-L306 PolarHBondContact O-N 2.74Å
305T41.3Very low55.6Low130 Ų130116.2 Ų116.280%0.79863%0.63SS**  trans-56.888.4147.551.30000101Q303 S307Q303-T305 PolarHBondContact O-N 2.96Å; T305-S307 PolarHBondContact O-N 3.14Å
306L41.8Very low53.6Low143 Ų143121.7 Ų121.775%0.74967%0.666SS**  trans-43.6109.2151.6-66.9173000100.2R304 S308R304-L306 PolarHBondContact O-N 2.74Å; L306-S308 PolarHBondContact O-N 3.26Å
307S46.4Very low52.1Low105 Ų105129.3 Ų129.373%0.73468%0.683SS**  trans-44102.8159.350.30000102.5T305 S309T305-S307 PolarHBondContact O-N 3.14Å; S307-S309 PolarHBondContact O-N 3.41Å
308S43.3Very low50.3Low82 Ų82138.1 Ų138.157%0.57372%0.721SS**  trans-60102.4170.648.60000101L306 M310L306-S308 PolarHBondContact O-N 3.26Å; S308-M310 PolarHBondContact O-N 2.85Å
309S46.8Very low48.9Very low79 Ų79142.7 Ų142.755%0.55274%0.741SS**  trans-41130.6158.4-43.50000104.5S307 E311 E312S307-S309 PolarHBondContact O-N 3.41Å; S309-E311 PolarHBondContact O-N 3.27Å; S309-E312 PolarHBondContact O-N 2.98Å
310M53.8Low47.7Very low175 Ų175143.8 Ų143.886%0.86274%0.735SS**THydrogen-bonded Turntrans-51.8-13.6-170.9-71.1173.459.800113.7S308S308-M310 PolarHBondContact O-N 2.85Å
311E55.2Low46.8Very low167 Ų167146.6 Ų146.678%0.7875%0.751SS**THydrogen-bonded Turntrans-69.6-24.6173.8-63.6177.8129.400115.7S309S309-E311 PolarHBondContact O-N 3.27Å
312E52.6Low46.3Very low113 Ų113143.9 Ų143.953%0.52875%0.748SS.*SBendtrans-84-15.1-180-149.276.9-142.800112.8S309 D314 R315S309-E312 PolarHBondContact O-N 2.98Å; E312-D314 VanDerWaalsContact C-N 3.26Å; E312-D314 PolarHBondContact O-N 3.25Å; E312-R315 WeakPolarHBondContact OE1-CD 3.35Å; E312-R315 IonicContact OE1-CZ 3.56Å; E312-R315 IonicContact OE1-NE 3.79Å; E312-R315 IonicContact OE1-NH1 2.78Å; E312-R315 PolarHBondContact OE1-NH1 2.88Å
313A56.6Low45.9Very low79 Ų79147.4 Ų147.465%0.65376%0.758SS**THydrogen-bonded Turntrans-69.3-24.1177.200000112.9
314D49Very low46Very low147 Ų147144.2 Ų144.279%0.78676%0.755SS**THydrogen-bonded Turntrans-90.64.8-177.4-90.6-15.4000114.3E312 P316E312-D314 VanDerWaalsContact C-N 3.26Å; E312-D314 PolarHBondContact O-N 3.25Å; D314-P316 VanDerWaalsContact O-CD 3.29Å; D314-P316 WeakPolarHBondContact O-CD 3.19Å
315R53.2Low46.1Very low180 Ų180140.6 Ų140.668%0.67976%0.758SS**SBendtrans-82.9116.9173.4-83.3-177-179.9167.4-1.8111.3E312 R317E312-R315 WeakPolarHBondContact OE1-CD 3.35Å; E312-R315 IonicContact OE1-CZ 3.56Å; E312-R315 IonicContact OE1-NE 3.79Å; E312-R315 IonicContact OE1-NH1 2.78Å; E312-R315 PolarHBondContact OE1-NH1 2.88Å; R315-R317 PolarHBondContact O-N 3.29Å
316P43.2Very low46.3Very low118 Ų118139.4 Ų139.477%0.76676%0.755SS**  trans-65.2128.3-178.723.2-29.9000111D314 K318D314-P316 VanDerWaalsContact O-CD 3.29Å; D314-P316 WeakPolarHBondContact O-CD 3.19Å; P316-K318 PolarHBondContact O-N 2.94Å; P316-K318 VanDerWaalsContact O-N 3.16Å
317R48.8Very low46.4Very low238 Ų238138.8 Ų138.890%0.89876%0.759SS**  trans-54.7115.4176-89.8178.2171.1167.3-2.3110.5R315 L319R315-R317 PolarHBondContact O-N 3.29Å; R317-L319 PolarHBondContact O-N 2.81Å; R317-L319 VanDerWaalsContact O-N 3.09Å
318K42.1Very low46.4Very low208 Ų208142.6 Ų142.690%0.90477%0.766SS**  trans-68.4103.5164.1-79.2-175.5176.6179.10108.7P316 S320P316-K318 PolarHBondContact O-N 2.94Å; P316-K318 VanDerWaalsContact O-N 3.16Å; K318-S320 PolarHBondContact O-N 3.2Å
319L40.2Very low46.7Very low152 Ų152148.3 Ų148.380%0.79680%0.801SS**  trans-60.6112.3166.9-110.8101.4000108.8R317 L321R317-L319 PolarHBondContact O-N 2.81Å; R317-L319 VanDerWaalsContact O-N 3.09Å; L319-L321 PolarHBondContact O-N 3.14Å; L319-L321 VanDerWaalsContact O-N 3.11Å
320S42.3Very low46.7Very low107 Ų107151.8 Ų151.875%0.74881%0.813SS**  trans-75.696169590000109.1K318 T322K318-S320 PolarHBondContact O-N 3.2Å; S320-T322 PolarHBondContact O-N 3.49Å; S320-T322 VanDerWaalsContact O-N 3.11Å
321L41.2Very low46.3Very low157 Ų157150.6 Ų150.682%0.82281%0.811SS**  trans-66.4100164.7-87.7142000108.8L319 K323L319-L321 PolarHBondContact O-N 3.14Å; L319-L321 VanDerWaalsContact O-N 3.11Å; L321-K323 PolarHBondContact O-N 2.93Å
322T41.9Very low45.8Very low132 Ų132149.7 Ų149.781%0.8181%0.813SS**  trans-70108.8164.942.40000108.2S320 S324S320-T322 PolarHBondContact O-N 3.49Å; S320-T322 VanDerWaalsContact O-N 3.11Å; T322-S324 PolarHBondContact O-N 3.12Å
323K39Very low45.4Very low203 Ų203151.8 Ų151.888%0.88383%0.829SS**PPolyproline II helixtrans-64.8122.7174-80.5-178.8174.5179.60109.6L321L321-K323 PolarHBondContact O-N 2.93Å
324S43.6Very low44.7Very low110 Ų110156.4 Ų156.477%0.76984%0.84SS**PPolyproline II helixtrans-66.2141.7170.446.10000111.3T322T322-S324 PolarHBondContact O-N 3.12Å
325P45.4Very low44.4Very low127 Ų127157 Ų15783%0.82584%0.844SS**PPolyproline II helixtrans-76.8136.9-175.877.1000111.9
326S46.9Very low43.8Very low106 Ų106155.4 Ų155.474%0.74186%0.856SS**PPolyproline II helixtrans-73.2137.3177.345.50000112.3
327P43.4Very low43.9Very low129 Ų129158.2 Ų158.284%0.83886%0.863SS**PPolyproline II helixtrans-77133.8-179.529.1-29000111.4
328Q45Very low43.5Very low186 Ų186151.6 Ų151.687%0.86986%0.86SS**PPolyproline II helixtrans-83.3149.7171.2-78.6-168.1-9.600110.8
329P50.5Low43.6Very low202 Ų202146.5 Ų146.5100%1.31286%0.856SS**  trans-71.80-16228.3-35.3000115.4

Retrieved 329 of 329 residues in 387.7 ms (Link to these results)

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