A0A077Z9I8_TRITR Loading...

Protein LSM12

AlphaFold DB , UniProt , Accession A0A077Z9I8, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 213 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
1M46.9Very low57.1Low188 Ų188105.2 Ų105.293%0.92655%0.547SS*.  0122.50-89.9177.9166.400106.6
2Q51.7Low58.3Low145 Ų14598 Ų9868%0.67851%0.512SS*.  trans-72.4134167.7-74.9175.2-70.700108.4E70Q2-E70 PolarHBondContact NE2-OE1 3.34Å
3R58.5Low59.8Low116 Ų116102.7 Ų102.744%0.43853%0.53SS..EExtended strand (participates in β ladder)trans-133.5126.6175.7-71.7-176.9178.81641.5108.8L71R3-L71 PolarHBondContact O-N 2.79Å
4S61.5Low61.1Low108 Ų108100.3 Ų100.376%0.75551%0.511SS*.EExtended strand (participates in β ladder)trans-78.6136.2163.852.50000108.9
5V54.3Low62.7Low18 Ų1893.7 Ų93.711%0.10948%0.478CS..EExtended strand (participates in β ladder)trans-109.5123.4-176.9-172.40000109.3L7 P12 Y14 F69V5-L7 PolarHBondContact O-N 3.21Å; V5-P12 HydrophobicContact CB-CG 4.33Å; V5-P12 HydrophobicContact CG1-CB 4.49Å; V5-P12 HydrophobicContact CG1-CG 3.22Å; V5-P12 HydrophobicContact CG2-CG 4.26Å; V5-Y14 WeakPolarHBondContact CG2-OH 3.48Å; V5-F69 HydrophobicContact CB-CB 4.5Å; V5-F69 HydrophobicContact CB-CD1 4.01Å; V5-F69 HydrophobicContact CG2-CD1 3.68Å; V5-F69 HydrophobicContact CG2-CE1 4.27Å; V5-F69 PolarHBondContact N-O 2.84Å; V5-F69 VanDerWaalsContact N-O 3.1Å
6P55Low64.3Low104 Ų10489.6 Ų89.668%0.67546%0.459SS*.  trans-62.1129168.1-1528.3000109.7D8P6-D8 VanDerWaalsContact C-N 3.25Å; P6-D8 PolarHBondContact O-N 3.29Å
7L55.8Low65.8Low50 Ų5087.4 Ų87.426%0.26245%0.45SS..THydrogen-bonded Turntrans-81.5-1.1-172.6-76.5150.5000114.7V5 E9 V66 K67 F69V5-L7 PolarHBondContact O-N 3.21Å; L7-E9 PolarHBondContact O-N 3.22Å; L7-V66 HydrophobicContact CD1-CG1 4.49Å; L7-V66 WeakPolarHBondContact CD1-O 3.3Å; L7-V66 HydrophobicContact CD2-CB 4.04Å; L7-V66 HydrophobicContact CD2-CG1 3.87Å; L7-K67 VanDerWaalsContact CD1-CA 3.49Å; L7-K67 WeakPolarHBondContact CD1-O 3.29Å; L7-F69 HydrophobicContact CD2-CB 4.02Å
8D54.8Low67.2Low162 Ų16283.6 Ų83.687%0.86644%0.437SS*.THydrogen-bonded Turntrans-73.2-2.7-178.4-68.5-20.4000113.1P6P6-D8 VanDerWaalsContact C-N 3.25Å; P6-D8 PolarHBondContact O-N 3.29Å
9E54.7Low68.5Low161 Ų16179.2 Ų79.275%0.75241%0.414SS*.SBendtrans-128.6149.5177-66-171.1162.500112.1L7L7-E9 PolarHBondContact O-N 3.22Å
10N65.7Low69.8Low102 Ų10277.2 Ų77.255%0.54541%0.405SS..SBendtrans-44.3153.6173.3-67.8-53.1000111.6P12 N43N10-P12 WeakPolarHBondContact O-CD 3.24Å; N10-N43 WeakPolarHBondContact CA-OD1 3.39Å
11I68.8Low71Confident3 Ų373.5 Ų73.52%0.01539%0.386CS..SBendtrans-27.1111.4172-51.4-179.6000111.2E13 I15 F38 D39 R40 N43 M44 L63I11-E13 PolarHBondContact O-N 3.44Å; I11-I15 HydrophobicContact CG2-CB 4.23Å; I11-I15 HydrophobicContact CG2-CD1 3.76Å; I11-F38 HydrophobicContact CD1-CB 3.59Å; I11-F38 HydrophobicContact CG2-CB 4.46Å; I11-D39 WeakPolarHBondContact CD1-O 3.24Å; I11-R40 HydrophobicContact CB-CG 4.36Å; I11-N43 VanDerWaalsContact CG1-OD1 3.27Å; I11-N43 WeakPolarHBondContact CG1-OD1 3.42Å; I11-N43 PolarHBondContact N-OD1 3.36Å; I11-M44 WeakPolarHBondContact CD1-O 3.23Å; I11-L63 HydrophobicContact CB-CD1 4.36Å; I11-L63 HydrophobicContact CG1-CD1 3.61Å; I11-L63 HydrophobicContact CG1-CG 4.45Å
12P72Confident73.3Confident19 Ų1966.9 Ų66.912%0.12335%0.351CS..  trans-53.6140.2-174.1-27.627000112.9V5 N10 Y14 I15V5-P12 HydrophobicContact CB-CG 4.33Å; V5-P12 HydrophobicContact CG1-CB 4.49Å; V5-P12 HydrophobicContact CG1-CG 3.22Å; V5-P12 HydrophobicContact CG2-CG 4.26Å; N10-P12 WeakPolarHBondContact O-CD 3.24Å; P12-Y14 HydrophobicContact CB-CD1 3.69Å; P12-Y14 HydrophobicContact CB-CE1 3.23Å; P12-Y14 HydrophobicContact CB-CE2 4.11Å; P12-Y14 HydrophobicContact CB-CG 4.31Å; P12-Y14 VanDerWaalsContact CB-CZ 3.45Å; P12-Y14 HydrophobicContact CG-CE1 4.13Å; P12-Y14 PolarHBondContact O-N 3.4Å; P12-I15 HydrophobicContact CB-CD1 4.22Å; P12-I15 HydrophobicContact CB-CG1 4.36Å; P12-I15 HydrophobicContact CG-CD1 4.01Å; P12-I15 PolarHBondContact O-N 3.14Å
13E78.1Confident75.3Confident159 Ų15960.1 Ų60.174%0.74332%0.32SS*.THydrogen-bonded Turntrans-60.7-23.7-171.4-66.1-159.5138.600114.4I11 I15 R40I11-E13 PolarHBondContact O-N 3.44Å; E13-I15 VanDerWaalsContact C-N 3.32Å; E13-R40 PolarHBondContact O-NH2 2.83Å; E13-R40 IonicContact OE1-NH1 2.73Å
14Y77.4Confident77Confident69 Ų6955 Ų5527%0.27130%0.302SS..THydrogen-bonded Turntrans-80.2-8.6-179.659.5-99.2000113.9V5 P12 T16 L71V5-Y14 WeakPolarHBondContact CG2-OH 3.48Å; P12-Y14 HydrophobicContact CB-CD1 3.69Å; P12-Y14 HydrophobicContact CB-CE1 3.23Å; P12-Y14 HydrophobicContact CB-CE2 4.11Å; P12-Y14 HydrophobicContact CB-CG 4.31Å; P12-Y14 VanDerWaalsContact CB-CZ 3.45Å; P12-Y14 HydrophobicContact CG-CE1 4.13Å; P12-Y14 PolarHBondContact O-N 3.4Å; Y14-T16 PolarHBondContact O-N 3.2Å; Y14-L71 HydrophobicContact CD2-CD2 3.82Å; Y14-L71 HydrophobicContact CE2-CD2 3.74Å
15I84.7Confident78.5Confident1 Ų151.7 Ų51.71%0.00528%0.276CS..  trans-72.6121.7175.6-63.6169.4000108.8I11 P12 E13 V35 F38 I45 F69 L71I11-I15 HydrophobicContact CG2-CB 4.23Å; I11-I15 HydrophobicContact CG2-CD1 3.76Å; P12-I15 HydrophobicContact CB-CD1 4.22Å; P12-I15 HydrophobicContact CB-CG1 4.36Å; P12-I15 HydrophobicContact CG-CD1 4.01Å; P12-I15 PolarHBondContact O-N 3.14Å; E13-I15 VanDerWaalsContact C-N 3.32Å; I15-V35 HydrophobicContact CG2-CG1 4.05Å; I15-V35 HydrophobicContact CG2-CG2 4.1Å; I15-F38 HydrophobicContact CG2-CD1 4.45Å; I15-F38 WeakPolarHBondContact O-CE1 3.37Å; I15-F38 WeakPolarHBondContact O-CZ 3.38Å; I15-I45 HydrophobicContact CG2-CD1 4.24Å; I15-F69 HydrophobicContact CD1-CD1 4.44Å; I15-F69 HydrophobicContact CD1-CE1 3.41Å; I15-F69 VanDerWaalsContact CD1-CE1 3.41Å; I15-F69 HydrophobicContact CD1-CZ 3.49Å; I15-F69 VanDerWaalsContact CD1-CZ 3.49Å; I15-F69 HydrophobicContact CG1-CE1 4.36Å; I15-L71 HydrophobicContact CG1-CD1 4.37Å
16T88.7Confident80.3Confident29 Ų2954 Ų5418%0.17829%0.292CS..  trans-115.6152.2176.958.10000110.5Y14 S19 M75Y14-T16 PolarHBondContact O-N 3.2Å; T16-S19 WeakPolarHBondContact O-CB 3.28Å; T16-S19 PolarHBondContact O-N 3.4Å; T16-S19 VanDerWaalsContact O-N 3.16Å; T16-S19 PolarHBondContact O-OG 3.39Å; T16-S19 PolarHBondContact OG1-OG 3.27Å; T16-M75 PolarHBondContact OG1-O 2.56Å
17T90.7Very high82.2Confident51 Ų5157 Ų5731%0.31330%0.295SS..THydrogen-bonded Turntrans-56.7140169.348.80000110.6S19 V35 F38T17-S19 VanDerWaalsContact C-N 3.3Å; T17-V35 CarbonylContact C-O 3.6Å; T17-V35 WeakPolarHBondContact CA-O 3.35Å; T17-F38 HydrophobicContact CG2-CE1 4.13Å
18G90.8Very high84.1Confident20 Ų2060 Ų6021%0.20631%0.311CS..THydrogen-bonded Turntrans89.2-15.4-174.400000114.2V35 M75G18-V35 PolarHBondContact N-O 3.47Å; G18-M75 WeakPolarHBondContact O-CG 3.31Å
19S92Very high86Confident0 Ų057.5 Ų57.50%029%0.294CS..  trans-62.1157.2170-650000110.6T16 T17 E34 V35 K73 M75T16-S19 WeakPolarHBondContact O-CB 3.28Å; T16-S19 PolarHBondContact O-N 3.4Å; T16-S19 VanDerWaalsContact O-N 3.16Å; T16-S19 PolarHBondContact O-OG 3.39Å; T16-S19 PolarHBondContact OG1-OG 3.27Å; T17-S19 VanDerWaalsContact C-N 3.3Å; S19-E34 CarbonylContact O-C 3.48Å; S19-E34 VanDerWaalsContact O-CA 3.32Å; S19-E34 WeakPolarHBondContact O-CA 3.3Å; S19-V35 WeakPolarHBondContact O-CG2 3.32Å; S19-V35 PolarHBondContact O-N 3.12Å; S19-K73 CarbonylContact C-O 3.59Å; S19-K73 WeakPolarHBondContact CA-O 3.44Å; S19-K73 WeakPolarHBondContact CB-O 3.33Å; S19-M75 PolarHBondContact OG-N 2.82Å
20V94.6Very high88Confident39 Ų3953.8 Ų53.824%0.23628%0.282CS..EExtended strand (participates in β ladder)trans-108.4127.1173.4-176.50000108.7V32 G33 L72 K73V20-V32 HydrophobicContact CG1-CG1 4.21Å; V20-G33 WeakPolarHBondContact CA-O 3.4Å; V20-L72 HydrophobicContact CB-CB 4.47Å; V20-L72 HydrophobicContact CG1-CB 4.31Å; V20-L72 HydrophobicContact CG1-CD1 4.27Å; V20-L72 PolarHBondContact O-N 2.8Å; V20-K73 HydrophobicContact CB-CB 3.88Å; V20-K73 HydrophobicContact CG2-CB 4.05Å; V20-K73 HydrophobicContact CG2-CD 4.23Å; V20-K73 PolarHBondContact N-O 3.25Å; V20-K73 PolarHBondContact O-N 2.82Å
21A94.3Very high89.4Confident0 Ų049.9 Ų49.90%026%0.262CS..EExtended strand (participates in β ladder)trans-125.2154.5-179.700000111.2V32 G33 V35 L47 F69 E70 L71A21-V32 WeakPolarHBondContact O-CA 3.41Å; A21-G33 PolarHBondContact N-O 2.66Å; A21-G33 PolarHBondContact O-N 2.94Å; A21-V35 HydrophobicContact CB-CG2 4.07Å; A21-L47 HydrophobicContact CB-CD2 4.24Å; A21-F69 HydrophobicContact CB-CE1 4.4Å; A21-F69 HydrophobicContact CB-CE2 3.94Å; A21-F69 HydrophobicContact CB-CZ 3.6Å; A21-E70 CarbonylContact C-O 3.5Å; A21-E70 WeakPolarHBondContact CA-O 3.46Å; A21-L71 HydrophobicContact CB-CD1 4.3Å
22K95.3Very high90.7Very high48 Ų4852.8 Ų52.821%0.20928%0.28CS..EExtended strand (participates in β ladder)trans-116.2127.6169.5172.4-173.1167.6-135.60108V30 T31 V32 E68 E70 L72K22-V30 HydrophobicContact CG-CG1 4.15Å; K22-T31 WeakPolarHBondContact CA-O 3.34Å; K22-V32 HydrophobicContact CB-CG2 3.98Å; K22-V32 HydrophobicContact CG-CG2 3.92Å; K22-E68 IonicContact NZ-OE1 3.87Å; K22-E68 PolarHBondContact NZ-OE1 2.82Å; K22-E70 HydrophobicContact CB-CB 4.33Å; K22-E70 PolarHBondContact N-O 2.85Å; K22-E70 IonicContact NZ-OE2 3.99Å; K22-E70 PolarHBondContact O-N 3.39Å; K22-L72 HydrophobicContact CB-CD1 4.02Å; K22-L72 HydrophobicContact CB-CD2 4.32Å; K22-L72 HydrophobicContact CB-CG 4.12Å
23C93.7Very high91.9Very high3 Ų352.2 Ų52.22%0.0228%0.277CS..EExtended strand (participates in β ladder)trans-114.7138.8171.3-60.50000109V30 T31 I61 V66 E68 F69C23-V30 WeakPolarHBondContact O-CA 3.35Å; C23-T31 PolarHBondContact N-O 2.86Å; C23-T31 PolarHBondContact O-N 3.41Å; C23-I61 HydrophobicContact CB-CD1 3.91Å; C23-V66 HydrophobicContact CB-CG1 4.31Å; C23-V66 HydrophobicContact CB-CG2 4.34Å; C23-E68 CarbonylContact C-O 3.59Å; C23-E68 WeakPolarHBondContact CA-O 3.39Å; C23-F69 WeakPolarHBondContact SG-CD2 3.12Å
24V94.7Very high92.7Very high9 Ų948.4 Ų48.46%0.05526%0.26CS..EExtended strand (participates in β ladder)trans-117.8120.5164.7-167.60000107.6E29 V30 V66 K67 E68V24-E29 WeakPolarHBondContact CA-O 3.35Å; V24-V30 HydrophobicContact CG1-CG2 4.27Å; V24-V30 HydrophobicContact CG2-CG2 4.17Å; V24-V66 WeakPolarHBondContact O-CG1 3.46Å; V24-K67 HydrophobicContact CB-CG 4.29Å; V24-K67 HydrophobicContact CG1-CD 4.47Å; V24-K67 VanDerWaalsContact CG1-CE 3.41Å; V24-K67 HydrophobicContact CG1-CG 4.26Å; V24-K67 WeakPolarHBondContact O-CG 3.44Å; V24-K67 PolarHBondContact O-N 2.9Å; V24-E68 HydrophobicContact CB-CB 3.95Å; V24-E68 HydrophobicContact CG2-CB 3.94Å; V24-E68 PolarHBondContact N-O 2.99Å; V24-E68 PolarHBondContact O-N 2.99Å
25D92.8Very high93.5Very high38 Ų3845.1 Ų45.120%0.20325%0.247CC..EExtended strand (participates in β ladder)trans-81.1176.8-179.877.95.8000113F27 D28 E29 F65 K67D25-F27 PolarHBondContact O-N 3.14Å; D25-F27 VanDerWaalsContact O-N 3.17Å; D25-F27 VanDerWaalsContact OD1-C 3.29Å; D25-F27 VanDerWaalsContact OD1-CA 3.28Å; D25-F27 WeakPolarHBondContact OD1-CA 3.4Å; D25-F27 WeakPolarHBondContact OD1-CB 2.99Å; D25-F27 PolarHBondContact OD1-N 3.24Å; D25-D28 PolarHBondContact O-N 2.98Å; D25-D28 PolarHBondContact OD1-N 3.47Å; D25-D28 VanDerWaalsContact OD1-N 3.12Å; D25-E29 PolarHBondContact N-O 3.28Å; D25-E29 WeakPolarHBondContact OD1-CB 3.21Å; D25-E29 PolarHBondContact OD1-N 2.98Å; D25-F65 CarbonylContact C-O 3.56Å; D25-F65 WeakPolarHBondContact CA-O 3.37Å; D25-K67 WeakPolarHBondContact O-CD 3.31Å; D25-K67 VanDerWaalsContact O-CE 3.29Å; D25-K67 WeakPolarHBondContact O-CE 3.38Å; D25-K67 WeakPolarHBondContact O-CG 3.43Å
26C92.4Very high93.8Very high66 Ų6646.8 Ų46.845%0.44626%0.261SS..THydrogen-bonded Turntrans-67.3-6177.761.10000114.6F65C26-F65 PolarHBondContact N-O 3.05Å
27F94.5Very high94Very high168 Ų16846.2 Ų46.274%0.73726%0.26SS*.THydrogen-bonded Turntrans-106.712.2174.8-56.1-69.8000113.1D25 E29D25-F27 PolarHBondContact O-N 3.14Å; D25-F27 VanDerWaalsContact O-N 3.17Å; D25-F27 VanDerWaalsContact OD1-C 3.29Å; D25-F27 VanDerWaalsContact OD1-CA 3.28Å; D25-F27 WeakPolarHBondContact OD1-CA 3.4Å; D25-F27 WeakPolarHBondContact OD1-CB 2.99Å; D25-F27 PolarHBondContact OD1-N 3.24Å; F27-E29 PolarHBondContact O-N 3.32Å
28D94.8Very high94Very high114 Ų11447 Ų4761%0.6126%0.259SS*.  trans67.313.7-176.1-72.4-90.8000114.3D25 V30 K67D25-D28 PolarHBondContact O-N 2.98Å; D25-D28 PolarHBondContact OD1-N 3.47Å; D25-D28 VanDerWaalsContact OD1-N 3.12Å; D28-V30 PolarHBondContact O-N 3Å; D28-K67 IonicContact OD1-NZ 3.25Å; D28-K67 PolarHBondContact OD1-NZ 3.39Å; D28-K67 IonicContact OD2-NZ 3.62Å; D28-K67 PolarHBondContact OD2-NZ 2.7Å
29E95.3Very high93.9Very high108 Ų10850 Ų5051%0.50527%0.27SS..  trans-75.2125.2172.7-165.4179.3159.200109.9V24 D25 F27V24-E29 WeakPolarHBondContact CA-O 3.35Å; D25-E29 PolarHBondContact N-O 3.28Å; D25-E29 WeakPolarHBondContact OD1-CB 3.21Å; D25-E29 PolarHBondContact OD1-N 2.98Å; F27-E29 PolarHBondContact O-N 3.32Å
30V96Very high93.7Very high84 Ų8454.2 Ų54.251%0.50929%0.286SS..EExtended strand (participates in β ladder)trans-97.9122.1178.9-176.20000109.7K22 C23 V24 D28 V32K22-V30 HydrophobicContact CG-CG1 4.15Å; C23-V30 WeakPolarHBondContact O-CA 3.35Å; V24-V30 HydrophobicContact CG1-CG2 4.27Å; V24-V30 HydrophobicContact CG2-CG2 4.17Å; D28-V30 PolarHBondContact O-N 3Å; V30-V32 HydrophobicContact CG1-CG2 4.25Å
31T95.9Very high93.3Very high19 Ų1955.8 Ų55.812%0.11731%0.311CS..EExtended strand (participates in β ladder)trans-117.6123.7171.7-58.50000110.1K22 C23 L47 I61K22-T31 WeakPolarHBondContact CA-O 3.34Å; C23-T31 PolarHBondContact N-O 2.86Å; C23-T31 PolarHBondContact O-N 3.41Å; T31-L47 HydrophobicContact CG2-CD1 4Å; T31-I61 HydrophobicContact CG2-CD1 4.07Å
32V96.4Very high93Very high64 Ų6459.9 Ų59.939%0.38834%0.336SS..EExtended strand (participates in β ladder)trans-116.1133.3172.5-177.80000108.9V20 A21 K22 V30 T49 L72V20-V32 HydrophobicContact CG1-CG1 4.21Å; A21-V32 WeakPolarHBondContact O-CA 3.41Å; K22-V32 HydrophobicContact CB-CG2 3.98Å; K22-V32 HydrophobicContact CG-CG2 3.92Å; V30-V32 HydrophobicContact CG1-CG2 4.25Å; V32-T49 WeakPolarHBondContact O-CG2 3.5Å; V32-T49 PolarHBondContact O-OG1 3.46Å; V32-L72 HydrophobicContact CG1-CD1 3.79Å
33G96.1Very high92.7Very high7 Ų758.9 Ų58.97%0.07233%0.332CS..EExtended strand (participates in β ladder)trans-172.4171.117900000114.3V20 A21 K48V20-G33 WeakPolarHBondContact CA-O 3.4Å; A21-G33 PolarHBondContact N-O 2.66Å; A21-G33 PolarHBondContact O-N 2.94Å; G33-K48 CarbonylContact C-O 3.49Å; G33-K48 WeakPolarHBondContact CA-O 3.41Å
34E95.5Very high92.7Very high80 Ų8061.2 Ų61.237%0.37434%0.344SS..EExtended strand (participates in β ladder)trans-75.9130.8172.2-171.8-166.1115.500110S19 A36 L47 K48S19-E34 CarbonylContact O-C 3.48Å; S19-E34 VanDerWaalsContact O-CA 3.32Å; S19-E34 WeakPolarHBondContact O-CA 3.3Å; E34-A36 PolarHBondContact O-N 3.33Å; E34-A36 VanDerWaalsContact O-N 3.07Å; E34-L47 CarbonylContact O-C 3.42Å; E34-L47 WeakPolarHBondContact O-CA 3.43Å; E34-K48 HydrophobicContact CB-CB 4.43Å; E34-K48 PolarHBondContact N-O 2.61Å; E34-K48 PolarHBondContact O-N 3.28Å; E34-K48 VanDerWaalsContact OE1-CE 3.32Å; E34-K48 WeakPolarHBondContact OE1-CE 3.39Å; E34-K48 IonicContact OE1-NZ 2.74Å; E34-K48 PolarHBondContact OE1-NZ 2.98Å
35V93.9Very high92.6Very high0 Ų060.8 Ų60.80%034%0.341CS..EExtended strand (participates in β ladder)trans-64.6108.4174.6-179.40000109.3I15 T17 G18 S19 A21 F38 I45 L47I15-V35 HydrophobicContact CG2-CG1 4.05Å; I15-V35 HydrophobicContact CG2-CG2 4.1Å; T17-V35 CarbonylContact C-O 3.6Å; T17-V35 WeakPolarHBondContact CA-O 3.35Å; G18-V35 PolarHBondContact N-O 3.47Å; S19-V35 WeakPolarHBondContact O-CG2 3.32Å; S19-V35 PolarHBondContact O-N 3.12Å; A21-V35 HydrophobicContact CB-CG2 4.07Å; V35-F38 HydrophobicContact CG1-CD1 3.82Å; V35-F38 HydrophobicContact CG1-CE1 4.33Å; V35-I45 HydrophobicContact CG1-CD1 3.99Å; V35-I45 HydrophobicContact CG1-CG1 4.06Å; V35-I45 HydrophobicContact CG2-CD1 3.82Å; V35-L47 HydrophobicContact CG2-CD2 3.89Å
36A92.6Very high92.8Very high36 Ų3660.8 Ų60.830%0.29834%0.341SS..EExtended strand (participates in β ladder)trans-87.5-26.1-179.800000112.9E34 L46 K48E34-A36 PolarHBondContact O-N 3.33Å; E34-A36 VanDerWaalsContact O-N 3.07Å; A36-L46 HydrophobicContact CB-CB 4.01Å; A36-L46 PolarHBondContact N-O 3.29Å; A36-K48 HydrophobicContact CB-CD 3.78Å; A36-K48 HydrophobicContact CB-CG 3.71Å
37G91.1Very high92.9Very high16 Ų1657.6 Ų57.617%0.16532%0.319CS..EExtended strand (participates in β ladder)trans175.1169.7-175.600000110L46G37-L46 PolarHBondContact O-N 3.26Å
38F91.6Very high93Very high68 Ų6852 Ų5230%0.29830%0.295SS..EExtended strand (participates in β ladder)trans-157.8151.1178.743.9-97.8000110.2I11 I15 T17 V35 R40 M44 I45I11-F38 HydrophobicContact CD1-CB 3.59Å; I11-F38 HydrophobicContact CG2-CB 4.46Å; I15-F38 HydrophobicContact CG2-CD1 4.45Å; I15-F38 WeakPolarHBondContact O-CE1 3.37Å; I15-F38 WeakPolarHBondContact O-CZ 3.38Å; T17-F38 HydrophobicContact CG2-CE1 4.13Å; V35-F38 HydrophobicContact CG1-CD1 3.82Å; V35-F38 HydrophobicContact CG1-CE1 4.33Å; F38-R40 HydrophobicContact CD2-CG 4.16Å; F38-M44 CarbonylContact C-O 3.54Å; F38-M44 VanDerWaalsContact CA-O 3.23Å; F38-M44 WeakPolarHBondContact CA-O 3.42Å; F38-I45 HydrophobicContact CB-CG1 4.37Å
39D89.1Confident93Very high82 Ų8248.6 Ų48.644%0.43928%0.278SS..EExtended strand (participates in β ladder)trans-120109.1168.6-171.7-40.1000107.9I11 G41 V42 N43 M44I11-D39 WeakPolarHBondContact CD1-O 3.24Å; D39-G41 VanDerWaalsContact C-N 3.3Å; D39-G41 WeakPolarHBondContact OD1-CA 3.35Å; D39-G41 PolarHBondContact OD1-N 3.03Å; D39-V42 HydrophobicContact CB-CG2 3.75Å; D39-V42 PolarHBondContact OD1-N 2.98Å; D39-V42 VanDerWaalsContact OD1-N 3.13Å; D39-N43 WeakPolarHBondContact O-CA 3.42Å; D39-N43 PolarHBondContact O-N 3.17Å; D39-N43 VanDerWaalsContact O-N 3.08Å; D39-M44 PolarHBondContact N-O 2.76Å; D39-M44 PolarHBondContact O-N 2.92Å
40R86.7Confident92.9Very high89 Ų8949.7 Ų49.734%0.33629%0.287SS..THydrogen-bonded Turntrans-71.9-26.5180-60.7-172.7-179.8-179.7-1.2112.2I11 E13 F38I11-R40 HydrophobicContact CB-CG 4.36Å; E13-R40 PolarHBondContact O-NH2 2.83Å; E13-R40 IonicContact OE1-NH1 2.73Å; F38-R40 HydrophobicContact CD2-CG 4.16Å
41G85.8Confident92.7Very high72 Ų7250.2 Ų50.274%0.74228%0.284SS*.THydrogen-bonded Turntrans-71.8-36.5-177.700000112.8D39D39-G41 VanDerWaalsContact C-N 3.3Å; D39-G41 WeakPolarHBondContact OD1-CA 3.35Å; D39-G41 PolarHBondContact OD1-N 3.03Å
42V88.8Confident92.5Very high87 Ų8755 Ų5553%0.52733%0.325SS..THydrogen-bonded Turntrans-104.910.9173.8-61.20000113.7D39 M44D39-V42 HydrophobicContact CB-CG2 3.75Å; D39-V42 PolarHBondContact OD1-N 2.98Å; D39-V42 VanDerWaalsContact OD1-N 3.13Å; V42-M44 VanDerWaalsContact C-N 3.34Å; V42-M44 HydrophobicContact CG2-CB 4.1Å; V42-M44 HydrophobicContact CG2-CG 4.26Å; V42-M44 HydrophobicContact CG2-SD 4.32Å; V42-M44 PolarHBondContact O-N 2.96Å
43N90.2Very high92.4Very high26 Ų2656.2 Ų56.214%0.13933%0.33CS..THydrogen-bonded Turntrans50.746.9179.9-157.823.1000113.8N10 I11 D39 L63N10-N43 WeakPolarHBondContact CA-OD1 3.39Å; I11-N43 VanDerWaalsContact CG1-OD1 3.27Å; I11-N43 WeakPolarHBondContact CG1-OD1 3.42Å; I11-N43 PolarHBondContact N-OD1 3.36Å; D39-N43 WeakPolarHBondContact O-CA 3.42Å; D39-N43 PolarHBondContact O-N 3.17Å; D39-N43 VanDerWaalsContact O-N 3.08Å; N43-L63 WeakPolarHBondContact O-CB 3.4Å; N43-L63 PolarHBondContact O-N 2.92Å
44M92.9Very high92.1Very high53 Ų5359.3 Ų59.326%0.26136%0.361SS..EExtended strand (participates in β ladder)trans-113.6137.1179.4-91.5-17753.200113.1I11 F38 D39 V42 F60 I61 N62I11-M44 WeakPolarHBondContact CD1-O 3.23Å; F38-M44 CarbonylContact C-O 3.54Å; F38-M44 VanDerWaalsContact CA-O 3.23Å; F38-M44 WeakPolarHBondContact CA-O 3.42Å; D39-M44 PolarHBondContact N-O 2.76Å; D39-M44 PolarHBondContact O-N 2.92Å; V42-M44 VanDerWaalsContact C-N 3.34Å; V42-M44 HydrophobicContact CG2-CB 4.1Å; V42-M44 HydrophobicContact CG2-CG 4.26Å; V42-M44 HydrophobicContact CG2-SD 4.32Å; V42-M44 PolarHBondContact O-N 2.96Å; M44-F60 HydrophobicContact CE-CB 3.75Å; M44-F60 HydrophobicContact CE-CD1 3.38Å; M44-F60 HydrophobicContact CE-CE1 4.38Å; M44-F60 HydrophobicContact CE-CG 4.01Å; M44-I61 CarbonylContact C-O 3.56Å; M44-I61 VanDerWaalsContact CA-O 3.32Å; M44-I61 WeakPolarHBondContact CA-O 3.34Å; M44-N62 HydrophobicContact CG-CB 4.14Å
45I93.1Very high92Very high0 Ų062 Ų620%037%0.372CS..EExtended strand (participates in β ladder)trans-117.6145172.6-163.2166.8000111I15 V35 F38 L47 I61 L63 F69I15-I45 HydrophobicContact CG2-CD1 4.24Å; V35-I45 HydrophobicContact CG1-CD1 3.99Å; V35-I45 HydrophobicContact CG1-CG1 4.06Å; V35-I45 HydrophobicContact CG2-CD1 3.82Å; F38-I45 HydrophobicContact CB-CG1 4.37Å; I45-L47 HydrophobicContact CD1-CD2 4.23Å; I45-L47 HydrophobicContact CG1-CD2 4.25Å; I45-I61 HydrophobicContact CG2-CB 3.88Å; I45-I61 HydrophobicContact CG2-CG2 4.47Å; I45-I61 PolarHBondContact N-O 2.85Å; I45-I61 PolarHBondContact O-N 3.46Å; I45-L63 HydrophobicContact CB-CD2 4.49Å; I45-L63 HydrophobicContact CG2-CD2 3.66Å; I45-L63 HydrophobicContact CG2-CG 4.28Å; I45-F69 HydrophobicContact CD1-CE2 3.88Å; I45-F69 HydrophobicContact CD1-CZ 3.97Å
46L95.7Very high91.9Very high37 Ų3765.6 Ų65.619%0.19439%0.394CS..EExtended strand (participates in β ladder)trans-106.9123.5173.5-76.166.8000108.9A36 G37 V58 T59 F60A36-L46 HydrophobicContact CB-CB 4.01Å; A36-L46 PolarHBondContact N-O 3.29Å; G37-L46 PolarHBondContact O-N 3.26Å; L46-V58 HydrophobicContact CD2-CG1 4.49Å; L46-T59 CarbonylContact C-O 3.56Å; L46-T59 WeakPolarHBondContact CA-O 3.29Å; L46-F60 HydrophobicContact CD1-CD1 3.48Å; L46-F60 VanDerWaalsContact CD1-CD1 3.48Å; L46-F60 HydrophobicContact CD1-CE1 3.62Å; L46-F60 HydrophobicContact CD1-CG 4.43Å; L46-F60 HydrophobicContact CD2-CD1 4.02Å; L46-F60 HydrophobicContact CD2-CE1 3.45Å; L46-F60 VanDerWaalsContact CD2-CE1 3.45Å; L46-F60 HydrophobicContact CD2-CE2 4.43Å; L46-F60 HydrophobicContact CD2-CZ 3.67Å; L46-F60 HydrophobicContact CG-CD1 3.51Å; L46-F60 HydrophobicContact CG-CE1 3.51Å; L46-F60 HydrophobicContact CG-CG 4.13Å; L46-F60 HydrophobicContact CG-CZ 4.06Å
47L95.6Very high92Very high0 Ų067.9 Ų67.90%040%0.397CS..EExtended strand (participates in β ladder)trans-110.1129.2174-60.3-173.4000110.7A21 T31 E34 V35 I45 V58 T59 I61A21-L47 HydrophobicContact CB-CD2 4.24Å; T31-L47 HydrophobicContact CG2-CD1 4Å; E34-L47 CarbonylContact O-C 3.42Å; E34-L47 WeakPolarHBondContact O-CA 3.43Å; V35-L47 HydrophobicContact CG2-CD2 3.89Å; I45-L47 HydrophobicContact CD1-CD2 4.23Å; I45-L47 HydrophobicContact CG1-CD2 4.25Å; L47-V58 WeakPolarHBondContact O-CA 3.35Å; L47-T59 PolarHBondContact N-O 3.24Å; L47-T59 PolarHBondContact O-N 3.13Å; L47-I61 HydrophobicContact CD1-CD1 3.63Å; L47-I61 HydrophobicContact CG-CD1 4.02Å
48K95.7Very high92.1Very high51 Ų5170.7 Ų70.722%0.22241%0.411CS..EExtended strand (participates in β ladder)trans-92126.2167.1-80.8171.8-58.4167.10108.8G33 E34 A36 T56 K57 V58G33-K48 CarbonylContact C-O 3.49Å; G33-K48 WeakPolarHBondContact CA-O 3.41Å; E34-K48 HydrophobicContact CB-CB 4.43Å; E34-K48 PolarHBondContact N-O 2.61Å; E34-K48 PolarHBondContact O-N 3.28Å; E34-K48 VanDerWaalsContact OE1-CE 3.32Å; E34-K48 WeakPolarHBondContact OE1-CE 3.39Å; E34-K48 IonicContact OE1-NZ 2.74Å; E34-K48 PolarHBondContact OE1-NZ 2.98Å; A36-K48 HydrophobicContact CB-CD 3.78Å; A36-K48 HydrophobicContact CB-CG 3.71Å; K48-T56 HydrophobicContact CB-CG2 3.98Å; K48-T56 HydrophobicContact CG-CG2 3.99Å; K48-K57 WeakPolarHBondContact CA-O 3.48Å; K48-V58 HydrophobicContact CG-CG2 4.06Å
49T95.2Very high92.3Very high42 Ų4268.8 Ų68.826%0.25841%0.405SS..EExtended strand (participates in β ladder)trans-126.7125.6175.1-50.30000108.6V32 K57V32-T49 WeakPolarHBondContact O-CG2 3.5Å; V32-T49 PolarHBondContact O-OG1 3.46Å; T49-K57 PolarHBondContact N-O 2.86Å; T49-K57 PolarHBondContact O-N 3.01Å
50D92.8Very high92.6Very high130 Ų13071 Ų7170%0.69541%0.411SS*.EExtended strand (participates in β ladder)trans-72.7134.5173-64.2-33.8000110T56D50-T56 PolarHBondContact OD1-OG1 2.89Å
51Q92.4Very high92.9Very high96 Ų9667.7 Ų67.745%0.44940%0.4SS..  trans-101.9157.5178.3-56-153.5-77.700110.8D53 G54 K55 K57Q51-D53 WeakPolarHBondContact CB-OD1 3.34Å; Q51-D53 PolarHBondContact O-N 2.9Å; Q51-D53 VanDerWaalsContact O-N 3.11Å; Q51-G54 PolarHBondContact O-N 2.96Å; Q51-K55 WeakPolarHBondContact CB-O 3.45Å; Q51-K55 PolarHBondContact N-O 2.82Å; Q51-K57 HydrophobicContact CG-CB 3.97Å
52A92.1Very high93.3Very high118 Ų11867.3 Ų67.398%0.97538%0.381SS*.THydrogen-bonded Turntrans-60.8-22.2-177.500000114G54A52-G54 PolarHBondContact O-N 3.35Å
53D93.5Very high93.4Very high91 Ų9163.5 Ų63.549%0.48736%0.357SS..THydrogen-bonded Turntrans-85.16.9176.972.5-16.3000113.5Q51 K55Q51-D53 WeakPolarHBondContact CB-OD1 3.34Å; Q51-D53 PolarHBondContact O-N 2.9Å; Q51-D53 VanDerWaalsContact O-N 3.11Å; D53-K55 VanDerWaalsContact C-N 3.26Å; D53-K55 PolarHBondContact O-N 2.86Å; D53-K55 VanDerWaalsContact OD1-CB 3.3Å; D53-K55 WeakPolarHBondContact OD1-CB 3.48Å; D53-K55 WeakPolarHBondContact OD1-CG 3.41Å; D53-K55 PolarHBondContact OD1-N 3.28Å; D53-K55 VanDerWaalsContact OD2-CD 3.3Å; D53-K55 WeakPolarHBondContact OD2-CD 3.37Å; D53-K55 WeakPolarHBondContact OD2-CE 3.44Å; D53-K55 WeakPolarHBondContact OD2-CG 3.33Å; D53-K55 IonicContact OD2-NZ 2.71Å; D53-K55 PolarHBondContact OD2-NZ 3.39Å
54G90.9Very high93.3Very high71 Ų7165 Ų6573%0.73238%0.379SS*.SBendtrans78.83.1-178.200000114.3Q51 A52Q51-G54 PolarHBondContact O-N 2.96Å; A52-G54 PolarHBondContact O-N 3.35Å
55K91.9Very high93.2Very high136 Ų13669 Ų6959%0.59140%0.395SS*.PPolyproline II helixtrans-84.8155.6171.9-59.3-174.3-168.7119.30110.8Q51 D53Q51-K55 WeakPolarHBondContact CB-O 3.45Å; Q51-K55 PolarHBondContact N-O 2.82Å; D53-K55 VanDerWaalsContact C-N 3.26Å; D53-K55 PolarHBondContact O-N 2.86Å; D53-K55 VanDerWaalsContact OD1-CB 3.3Å; D53-K55 WeakPolarHBondContact OD1-CB 3.48Å; D53-K55 WeakPolarHBondContact OD1-CG 3.41Å; D53-K55 PolarHBondContact OD1-N 3.28Å; D53-K55 VanDerWaalsContact OD2-CD 3.3Å; D53-K55 WeakPolarHBondContact OD2-CD 3.37Å; D53-K55 WeakPolarHBondContact OD2-CE 3.44Å; D53-K55 WeakPolarHBondContact OD2-CG 3.33Å; D53-K55 IonicContact OD2-NZ 2.71Å; D53-K55 PolarHBondContact OD2-NZ 3.39Å
56T91.9Very high93.2Very high76 Ų7669.5 Ų69.547%0.46640%0.398SS..EExtended strand (participates in β ladder)trans-101.2124.4171.4-54.60000109.7K48 D50K48-T56 HydrophobicContact CB-CG2 3.98Å; K48-T56 HydrophobicContact CG-CG2 3.99Å; D50-T56 PolarHBondContact OD1-OG1 2.89Å
57K94.2Very high92.9Very high85 Ų8572.4 Ų72.437%0.3741%0.409SS..EExtended strand (participates in β ladder)trans-86.7126.9168.4-177.8-175.1176.8-168.90108.5K48 T49 Q51 T59K48-K57 WeakPolarHBondContact CA-O 3.48Å; T49-K57 PolarHBondContact N-O 2.86Å; T49-K57 PolarHBondContact O-N 3.01Å; Q51-K57 HydrophobicContact CG-CB 3.97Å; K57-T59 WeakPolarHBondContact CE-OG1 3.48Å
58V94.4Very high92.8Very high75 Ų7576.2 Ų76.246%0.45543%0.427SS..EExtended strand (participates in β ladder)trans-105.3120.4170.3-1770000108.3L46 L47 K48 F60L46-V58 HydrophobicContact CD2-CG1 4.49Å; L47-V58 WeakPolarHBondContact O-CA 3.35Å; K48-V58 HydrophobicContact CG-CG2 4.06Å; V58-F60 HydrophobicContact CG1-CE2 4.35Å
59T95.1Very high92.5Very high27 Ų2774 Ų7417%0.16642%0.417CS..EExtended strand (participates in β ladder)trans-114.8126.2-178.1-49.40000109.5L46 L47 K57 I61L46-T59 CarbonylContact C-O 3.56Å; L46-T59 WeakPolarHBondContact CA-O 3.29Å; L47-T59 PolarHBondContact N-O 3.24Å; L47-T59 PolarHBondContact O-N 3.13Å; K57-T59 WeakPolarHBondContact CE-OG1 3.48Å; T59-I61 HydrophobicContact CG2-CD1 4.41Å; T59-I61 HydrophobicContact CG2-CG1 3.89Å
60F95.6Very high92.4Very high129 Ų12973.3 Ų73.357%0.56641%0.412SS*.EExtended strand (participates in β ladder)trans-90.3124170.9-70.4-98.7000108.4M44 L46 V58M44-F60 HydrophobicContact CE-CB 3.75Å; M44-F60 HydrophobicContact CE-CD1 3.38Å; M44-F60 HydrophobicContact CE-CE1 4.38Å; M44-F60 HydrophobicContact CE-CG 4.01Å; L46-F60 HydrophobicContact CD1-CD1 3.48Å; L46-F60 VanDerWaalsContact CD1-CD1 3.48Å; L46-F60 HydrophobicContact CD1-CE1 3.62Å; L46-F60 HydrophobicContact CD1-CG 4.43Å; L46-F60 HydrophobicContact CD2-CD1 4.02Å; L46-F60 HydrophobicContact CD2-CE1 3.45Å; L46-F60 VanDerWaalsContact CD2-CE1 3.45Å; L46-F60 HydrophobicContact CD2-CE2 4.43Å; L46-F60 HydrophobicContact CD2-CZ 3.67Å; L46-F60 HydrophobicContact CG-CD1 3.51Å; L46-F60 HydrophobicContact CG-CE1 3.51Å; L46-F60 HydrophobicContact CG-CG 4.13Å; L46-F60 HydrophobicContact CG-CZ 4.06Å; V58-F60 HydrophobicContact CG1-CE2 4.35Å
61I94.3Very high92.3Very high19 Ų1967.2 Ų67.210%0.09738%0.379CS..EExtended strand (participates in β ladder)trans-122.7119-176.4-55.7177.3000108.1C23 T31 M44 I45 L47 T59 L63 V66C23-I61 HydrophobicContact CB-CD1 3.91Å; T31-I61 HydrophobicContact CG2-CD1 4.07Å; M44-I61 CarbonylContact C-O 3.56Å; M44-I61 VanDerWaalsContact CA-O 3.32Å; M44-I61 WeakPolarHBondContact CA-O 3.34Å; I45-I61 HydrophobicContact CG2-CB 3.88Å; I45-I61 HydrophobicContact CG2-CG2 4.47Å; I45-I61 PolarHBondContact N-O 2.85Å; I45-I61 PolarHBondContact O-N 3.46Å; L47-I61 HydrophobicContact CD1-CD1 3.63Å; L47-I61 HydrophobicContact CG-CD1 4.02Å; T59-I61 HydrophobicContact CG2-CD1 4.41Å; T59-I61 HydrophobicContact CG2-CG1 3.89Å; I61-L63 HydrophobicContact CG2-CD2 4.23Å; I61-L63 PolarHBondContact O-N 3.43Å; I61-V66 HydrophobicContact CG2-CG2 3.36Å
62N92.5Very high92.4Very high65 Ų6565.6 Ų65.635%0.34837%0.373SS..EExtended strand (participates in β ladder)trans-80.6114168.4178.3-13.9000108.2M44 G64 F65M44-N62 HydrophobicContact CG-CB 4.14Å; N62-G64 PolarHBondContact O-N 3.15Å; N62-G64 PolarHBondContact OD1-N 3.37Å; N62-F65 HydrophobicContact CB-CD2 4.02Å; N62-F65 PolarHBondContact O-N 3.48Å
63L90.9Very high92.4Very high7 Ų765.6 Ų65.64%0.03735%0.351CS..G310 helixtrans-67.4-17.8-176.2-65.1-166.2000113.2I11 N43 I45 I61 F65 V66 F69I11-L63 HydrophobicContact CB-CD1 4.36Å; I11-L63 HydrophobicContact CG1-CD1 3.61Å; I11-L63 HydrophobicContact CG1-CG 4.45Å; N43-L63 WeakPolarHBondContact O-CB 3.4Å; N43-L63 PolarHBondContact O-N 2.92Å; I45-L63 HydrophobicContact CB-CD2 4.49Å; I45-L63 HydrophobicContact CG2-CD2 3.66Å; I45-L63 HydrophobicContact CG2-CG 4.28Å; I61-L63 HydrophobicContact CG2-CD2 4.23Å; I61-L63 PolarHBondContact O-N 3.43Å; L63-F65 PolarHBondContact O-N 3.49Å; L63-V66 HydrophobicContact CD2-CB 4.25Å; L63-V66 HydrophobicContact CD2-CG2 3.81Å; L63-V66 PolarHBondContact O-N 3.32Å; L63-F69 HydrophobicContact CD1-CD2 4.48Å; L63-F69 HydrophobicContact CD2-CD2 3.89Å; L63-F69 HydrophobicContact CD2-CE2 4.26Å
64G89.1Confident92.3Very high58 Ų5865.6 Ų65.660%0.59835%0.348SS*.G310 helixtrans-64.9-13.3170.800000114.2N62N62-G64 PolarHBondContact O-N 3.15Å; N62-G64 PolarHBondContact OD1-N 3.37Å
65F90.8Very high92.1Very high135 Ų13564.2 Ų64.259%0.59232%0.323SS*.G310 helixtrans-113.412.8173.2-60.2-68.7000112.7D25 C26 N62 L63D25-F65 CarbonylContact C-O 3.56Å; D25-F65 WeakPolarHBondContact CA-O 3.37Å; C26-F65 PolarHBondContact N-O 3.05Å; N62-F65 HydrophobicContact CB-CD2 4.02Å; N62-F65 PolarHBondContact O-N 3.48Å; L63-F65 PolarHBondContact O-N 3.49Å
66V92Very high91.5Very high11 Ų1161.3 Ų61.37%0.06732%0.318CS..EExtended strand (participates in β ladder)trans-95.1133.6173.6173.20000108L7 C23 V24 I61 L63 E68 F69L7-V66 HydrophobicContact CD1-CG1 4.49Å; L7-V66 WeakPolarHBondContact CD1-O 3.3Å; L7-V66 HydrophobicContact CD2-CB 4.04Å; L7-V66 HydrophobicContact CD2-CG1 3.87Å; C23-V66 HydrophobicContact CB-CG1 4.31Å; C23-V66 HydrophobicContact CB-CG2 4.34Å; V24-V66 WeakPolarHBondContact O-CG1 3.46Å; I61-V66 HydrophobicContact CG2-CG2 3.36Å; L63-V66 HydrophobicContact CD2-CB 4.25Å; L63-V66 HydrophobicContact CD2-CG2 3.81Å; L63-V66 PolarHBondContact O-N 3.32Å; V66-E68 WeakPolarHBondContact CG1-O 3.42Å; V66-F69 HydrophobicContact CG1-CB 4.2Å
67K91Very high90.4Very high98 Ų9863 Ų6343%0.42633%0.333SS..EExtended strand (participates in β ladder)trans-101.2-19.6176.971177179.9173.70113.5L7 V24 D25 D28L7-K67 VanDerWaalsContact CD1-CA 3.49Å; L7-K67 WeakPolarHBondContact CD1-O 3.29Å; V24-K67 HydrophobicContact CB-CG 4.29Å; V24-K67 HydrophobicContact CG1-CD 4.47Å; V24-K67 VanDerWaalsContact CG1-CE 3.41Å; V24-K67 HydrophobicContact CG1-CG 4.26Å; V24-K67 WeakPolarHBondContact O-CG 3.44Å; V24-K67 PolarHBondContact O-N 2.9Å; D25-K67 WeakPolarHBondContact O-CD 3.31Å; D25-K67 VanDerWaalsContact O-CE 3.29Å; D25-K67 WeakPolarHBondContact O-CE 3.38Å; D25-K67 WeakPolarHBondContact O-CG 3.43Å; D28-K67 IonicContact OD1-NZ 3.25Å; D28-K67 PolarHBondContact OD1-NZ 3.39Å; D28-K67 IonicContact OD2-NZ 3.62Å; D28-K67 PolarHBondContact OD2-NZ 2.7Å
68E92.2Very high88.8Confident81 Ų8164 Ų6438%0.37935%0.35SS..EExtended strand (participates in β ladder)trans-142.1127.8171.6-172.1-171135.600109.6K22 C23 V24 V66K22-E68 IonicContact NZ-OE1 3.87Å; K22-E68 PolarHBondContact NZ-OE1 2.82Å; C23-E68 CarbonylContact C-O 3.59Å; C23-E68 WeakPolarHBondContact CA-O 3.39Å; V24-E68 HydrophobicContact CB-CB 3.95Å; V24-E68 HydrophobicContact CG2-CB 3.94Å; V24-E68 PolarHBondContact N-O 2.99Å; V24-E68 PolarHBondContact O-N 2.99Å; V66-E68 WeakPolarHBondContact CG1-O 3.42Å
69F90.4Very high86.9Confident3 Ų363.9 Ų63.91%0.01335%0.35CS..EExtended strand (participates in β ladder)trans-123.8125.9171.4-174.9-83.4000109.7V5 L7 I15 A21 C23 I45 L63 V66V5-F69 HydrophobicContact CB-CB 4.5Å; V5-F69 HydrophobicContact CB-CD1 4.01Å; V5-F69 HydrophobicContact CG2-CD1 3.68Å; V5-F69 HydrophobicContact CG2-CE1 4.27Å; V5-F69 PolarHBondContact N-O 2.84Å; V5-F69 VanDerWaalsContact N-O 3.1Å; L7-F69 HydrophobicContact CD2-CB 4.02Å; I15-F69 HydrophobicContact CD1-CD1 4.44Å; I15-F69 HydrophobicContact CD1-CE1 3.41Å; I15-F69 VanDerWaalsContact CD1-CE1 3.41Å; I15-F69 HydrophobicContact CD1-CZ 3.49Å; I15-F69 VanDerWaalsContact CD1-CZ 3.49Å; I15-F69 HydrophobicContact CG1-CE1 4.36Å; A21-F69 HydrophobicContact CB-CE1 4.4Å; A21-F69 HydrophobicContact CB-CE2 3.94Å; A21-F69 HydrophobicContact CB-CZ 3.6Å; C23-F69 WeakPolarHBondContact SG-CD2 3.12Å; I45-F69 HydrophobicContact CD1-CE2 3.88Å; I45-F69 HydrophobicContact CD1-CZ 3.97Å; L63-F69 HydrophobicContact CD1-CD2 4.48Å; L63-F69 HydrophobicContact CD2-CD2 3.89Å; L63-F69 HydrophobicContact CD2-CE2 4.26Å; V66-F69 HydrophobicContact CG1-CB 4.2Å
70E91.9Very high84.8Confident29 Ų2971.2 Ų71.214%0.13638%0.382CS..EExtended strand (participates in β ladder)trans-129128.7179.6-170.9-170.4168.900110.3Q2 A21 K22 L72Q2-E70 PolarHBondContact NE2-OE1 3.34Å; A21-E70 CarbonylContact C-O 3.5Å; A21-E70 WeakPolarHBondContact CA-O 3.46Å; K22-E70 HydrophobicContact CB-CB 4.33Å; K22-E70 PolarHBondContact N-O 2.85Å; K22-E70 IonicContact NZ-OE2 3.99Å; K22-E70 PolarHBondContact O-N 3.39Å; E70-L72 HydrophobicContact CB-CD2 4.49Å; E70-L72 VanDerWaalsContact CD-CD2 3.42Å; E70-L72 HydrophobicContact CG-CD2 3.93Å; E70-L72 WeakPolarHBondContact OE1-CD2 3.42Å
71L92.1Very high82.7Confident2 Ų272.4 Ų72.41%0.0139%0.39CS..EExtended strand (participates in β ladder)trans-87.4111.2169.9-164.669.2000109.3R3 Y14 I15 A21 E74R3-L71 PolarHBondContact O-N 2.79Å; Y14-L71 HydrophobicContact CD2-CD2 3.82Å; Y14-L71 HydrophobicContact CE2-CD2 3.74Å; I15-L71 HydrophobicContact CG1-CD1 4.37Å; A21-L71 HydrophobicContact CB-CD1 4.3Å; L71-E74 HydrophobicContact CD2-CB 3.87Å; L71-E74 HydrophobicContact CD2-CG 4.05Å
72L94Very high80.5Confident61 Ų6176.7 Ų76.732%0.31942%0.422SS..EExtended strand (participates in β ladder)trans-84.4-39.8-177.5-58.8-177000112V20 K22 V32 E70V20-L72 HydrophobicContact CB-CB 4.47Å; V20-L72 HydrophobicContact CG1-CB 4.31Å; V20-L72 HydrophobicContact CG1-CD1 4.27Å; V20-L72 PolarHBondContact O-N 2.8Å; K22-L72 HydrophobicContact CB-CD1 4.02Å; K22-L72 HydrophobicContact CB-CD2 4.32Å; K22-L72 HydrophobicContact CB-CG 4.12Å; V32-L72 HydrophobicContact CG1-CD1 3.79Å; E70-L72 HydrophobicContact CB-CD2 4.49Å; E70-L72 VanDerWaalsContact CD-CD2 3.42Å; E70-L72 HydrophobicContact CG-CD2 3.93Å; E70-L72 WeakPolarHBondContact OE1-CD2 3.42Å
73K92.6Very high78.3Confident118 Ų11878.4 Ų78.451%0.51344%0.438SS..EExtended strand (participates in β ladder)trans-139.9119.8177.8-177.8-173.6172.4-171.40109.2S19 V20S19-K73 CarbonylContact C-O 3.59Å; S19-K73 WeakPolarHBondContact CA-O 3.44Å; S19-K73 WeakPolarHBondContact CB-O 3.33Å; V20-K73 HydrophobicContact CB-CB 3.88Å; V20-K73 HydrophobicContact CG2-CB 4.05Å; V20-K73 HydrophobicContact CG2-CD 4.23Å; V20-K73 PolarHBondContact N-O 3.25Å; V20-K73 PolarHBondContact O-N 2.82Å
74E89.8Confident76.4Confident92 Ų9283 Ų8343%0.4347%0.466SS..PPolyproline II helixtrans-86.1130.6172.9-169.8175.6162.700109.6L71L71-E74 HydrophobicContact CD2-CB 3.87Å; L71-E74 HydrophobicContact CD2-CG 4.05Å
75M87.1Confident74.6Confident42 Ų4285.8 Ų85.821%0.20747%0.472CS..PPolyproline II helixtrans-93.5130.6170.1-85.8-59.3-66.500110.6T16 G18 S19 S77 T79T16-M75 PolarHBondContact OG1-O 2.56Å; G18-M75 WeakPolarHBondContact O-CG 3.31Å; S19-M75 PolarHBondContact OG-N 2.82Å; M75-S77 PolarHBondContact O-N 2.88Å; M75-T79 HydrophobicContact CE-CG2 3.86Å; M75-T79 WeakPolarHBondContact CE-OG1 3.34Å
76P78.8Confident73Confident74 Ų7487.2 Ų87.248%0.48148%0.481SS..PPolyproline II helixtrans-59.3133.8176.6-19.329.5000110.8S78 T79P76-S78 PolarHBondContact O-N 3.5Å; P76-T79 PolarHBondContact O-N 3.36Å; P76-T79 VanDerWaalsContact O-N 3.1Å; P76-T79 PolarHBondContact O-OG1 3.33Å
77S68.9Low71.7Confident113 Ų11394.9 Ų94.979%0.7952%0.521SS*.THydrogen-bonded Turntrans-57.9-14.1176.751.40000114.2M75M75-S77 PolarHBondContact O-N 2.88Å
78S61.9Low70.9Confident104 Ų10495.1 Ų95.173%0.72753%0.531SS*.THydrogen-bonded Turntrans-88.9-3.3179.467.60000114.8P76 E80P76-S78 PolarHBondContact O-N 3.5Å; S78-E80 PolarHBondContact O-N 3.01Å
79T54.8Low70.6Confident73 Ų7394.8 Ų94.845%0.44853%0.532SS..SBendtrans-77.4111.9176.9-48.10000107.4M75 P76 Q81M75-T79 HydrophobicContact CE-CG2 3.86Å; M75-T79 WeakPolarHBondContact CE-OG1 3.34Å; P76-T79 PolarHBondContact O-N 3.36Å; P76-T79 VanDerWaalsContact O-N 3.1Å; P76-T79 PolarHBondContact O-OG1 3.33Å; T79-Q81 PolarHBondContact O-N 3.13Å
80E49.7Very low70.4Confident181 Ų18198.2 Ų98.285%0.84656%0.56SS**  trans-41.1117.4174.9-69.8-166.3158.100108.5S78 S82S78-E80 PolarHBondContact O-N 3.01Å; E80-S82 VanDerWaalsContact C-N 3.25Å; E80-S82 PolarHBondContact O-N 3.45Å
81Q51.6Low70.4Confident155 Ų155100.8 Ų100.872%0.72458%0.582SS**  trans-55.496.6-179.4-80.2175.8-26.400107.2T79 S83T79-Q81 PolarHBondContact O-N 3.13Å; Q81-S83 WeakPolarHBondContact O-CA 3.13Å; Q81-S83 PolarHBondContact O-N 2.86Å
82S48.1Very low70.4Confident109 Ų109106.9 Ų106.976%0.76261%0.608SS**  trans-55.2112.8177.3-155.50000105.1E80 V84E80-S82 VanDerWaalsContact C-N 3.25Å; E80-S82 PolarHBondContact O-N 3.45Å; S82-V84 PolarHBondContact O-N 3.48Å
83S47.3Very low70.3Confident100 Ų100107.4 Ų107.470%0.69961%0.61SS**  trans-7356.8-155.659.80000112.3Q81 T85Q81-S83 WeakPolarHBondContact O-CA 3.13Å; Q81-S83 PolarHBondContact O-N 2.86Å; S83-T85 PolarHBondContact O-N 3.04Å
84V50.2Low70.4Confident103 Ų103104.4 Ų104.462%0.62461%0.608SS**  trans-76.52177-177.40000110.8S82 Q86S82-V84 PolarHBondContact O-N 3.48Å; V84-Q86 PolarHBondContact O-N 3.35Å
85T51.7Low70.7Confident117 Ų117105.9 Ų105.972%0.71861%0.612SS**SBendtrans-74.977.5152.654.80000107.8S83 N87S83-T85 PolarHBondContact O-N 3.04Å; T85-N87 PolarHBondContact O-N 3.46Å
86Q57.4Low71.1Confident166 Ų166111.6 Ų111.678%0.77663%0.632SS**  trans-39.3130.9164.6-67.8-178-27.700108.7V84 V88V84-Q86 PolarHBondContact O-N 3.35Å; Q86-V88 VanDerWaalsContact C-N 3.32Å; Q86-V88 WeakPolarHBondContact O-CG2 3.36Å; Q86-V88 PolarHBondContact O-N 3.3Å
87N64.6Low71.9Confident171 Ų171113 Ų11391%0.91463%0.634SS**  trans-38.692.3-179.9-91.1-12.6000112T85 N89T85-N87 PolarHBondContact O-N 3.46Å; N87-N89 PolarHBondContact O-N 3.36Å
88V73Confident73.2Confident104 Ų104114.2 Ų114.263%0.6363%0.627SS**  trans-77.8115.1-177.9-144.20000105.4Q86 A90 I93Q86-V88 VanDerWaalsContact C-N 3.32Å; Q86-V88 WeakPolarHBondContact O-CG2 3.36Å; Q86-V88 PolarHBondContact O-N 3.3Å; V88-A90 PolarHBondContact O-N 2.9Å; V88-I93 HydrophobicContact CB-CD1 4.12Å; V88-I93 HydrophobicContact CG1-CD1 3.36Å; V88-I93 HydrophobicContact CG1-CG1 4.26Å
89N86.4Confident74.8Confident74 Ų74112.6 Ų112.640%0.39661%0.608SS.*  trans-75.499.5-178.6-175.4-41000108.9N87 S91 K92 I93N87-N89 PolarHBondContact O-N 3.36Å; N89-S91 PolarHBondContact O-N 3.36Å; N89-S91 PolarHBondContact OD1-N 3.09Å; N89-S91 VanDerWaalsContact OD1-N 3.13Å; N89-S91 PolarHBondContact OD1-OG 2.88Å; N89-K92 HydrophobicContact CB-CB 4.11Å; N89-K92 HydrophobicContact CB-CD 4.02Å; N89-K92 HydrophobicContact CB-CG 4.03Å; N89-K92 WeakPolarHBondContact O-CB 3.39Å; N89-K92 PolarHBondContact O-N 3.06Å; N89-K92 PolarHBondContact OD1-N 3.18Å; N89-K92 VanDerWaalsContact OD1-N 3.1Å; N89-I93 PolarHBondContact O-N 3.05Å; N89-I93 VanDerWaalsContact O-N 3.08Å
90A87Confident76.7Confident74 Ų74112.9 Ų112.961%0.61261%0.605SS**Hα-helixtrans-55.2-35.8-177.200000112.9V88 I93 A94V88-A90 PolarHBondContact O-N 2.9Å; A90-I93 PolarHBondContact O-N 3.3Å; A90-A94 PolarHBondContact O-N 3.05Å
91S91.3Very high78.9Confident84 Ų84108.3 Ų108.359%0.58759%0.589SS**Hα-helixtrans-70.6-36.3178.370.30000112.3N89 I93 A94 K95N89-S91 PolarHBondContact O-N 3.36Å; N89-S91 PolarHBondContact OD1-N 3.09Å; N89-S91 VanDerWaalsContact OD1-N 3.13Å; N89-S91 PolarHBondContact OD1-OG 2.88Å; S91-I93 VanDerWaalsContact C-N 3.32Å; S91-I93 PolarHBondContact O-N 3.22Å; S91-A94 PolarHBondContact O-N 2.83Å; S91-K95 WeakPolarHBondContact O-CB 3.29Å; S91-K95 PolarHBondContact O-N 3.07Å
92K92.8Very high80.9Confident130 Ų130105.6 Ų105.657%0.56558%0.577SS**Hα-helixtrans-64.8-36.4171.7-69.7-174.6-178.3-1800112N89 R96N89-K92 HydrophobicContact CB-CB 4.11Å; N89-K92 HydrophobicContact CB-CD 4.02Å; N89-K92 HydrophobicContact CB-CG 4.03Å; N89-K92 WeakPolarHBondContact O-CB 3.39Å; N89-K92 PolarHBondContact O-N 3.06Å; N89-K92 PolarHBondContact OD1-N 3.18Å; N89-K92 VanDerWaalsContact OD1-N 3.1Å; K92-R96 VanDerWaalsContact O-CG 3.31Å; K92-R96 WeakPolarHBondContact O-CG 3.37Å; K92-R96 PolarHBondContact O-N 2.99Å; K92-R96 VanDerWaalsContact O-N 3.09Å
93I92.1Very high83Confident72 Ų72104.4 Ų104.437%0.36956%0.555SS.*Hα-helixtrans-66.3-50.8175.7-64.1166.4000110.1V88 N89 A90 S91 K95 R96 I97V88-I93 HydrophobicContact CB-CD1 4.12Å; V88-I93 HydrophobicContact CG1-CD1 3.36Å; V88-I93 HydrophobicContact CG1-CG1 4.26Å; N89-I93 PolarHBondContact O-N 3.05Å; N89-I93 VanDerWaalsContact O-N 3.08Å; A90-I93 PolarHBondContact O-N 3.3Å; S91-I93 VanDerWaalsContact C-N 3.32Å; S91-I93 PolarHBondContact O-N 3.22Å; I93-K95 VanDerWaalsContact C-N 3.29Å; I93-K95 PolarHBondContact O-N 2.7Å; I93-R96 PolarHBondContact O-N 3.08Å; I93-R96 VanDerWaalsContact O-N 3.1Å; I93-I97 HydrophobicContact CG2-CD1 3.82Å; I93-I97 HydrophobicContact CG2-CG1 4.35Å; I93-I97 WeakPolarHBondContact O-CG1 3.29Å; I93-I97 PolarHBondContact O-N 2.75Å
94A94.4Very high85.2Confident55 Ų55106.6 Ų106.646%0.45555%0.552SS.*Hα-helixtrans-56.4-44.6178.900000111.6A90 S91 R96 I97 E98A90-A94 PolarHBondContact O-N 3.05Å; S91-A94 PolarHBondContact O-N 2.83Å; A94-R96 PolarHBondContact O-N 3.13Å; A94-I97 WeakPolarHBondContact O-CB 3.41Å; A94-I97 PolarHBondContact O-N 2.76Å; A94-E98 PolarHBondContact O-N 3.03Å
95K96Very high87.3Confident122 Ų122110.1 Ų110.153%0.5356%0.555SS.*Hα-helixtrans-59.6-44.8175.6-167-174-172.1-121.20112.4S91 I93 I97 E98 E99S91-K95 WeakPolarHBondContact O-CB 3.29Å; S91-K95 PolarHBondContact O-N 3.07Å; I93-K95 VanDerWaalsContact C-N 3.29Å; I93-K95 PolarHBondContact O-N 2.7Å; K95-I97 VanDerWaalsContact C-N 3.32Å; K95-I97 PolarHBondContact O-N 2.7Å; K95-E98 PolarHBondContact O-N 2.96Å; K95-E99 WeakPolarHBondContact CE-OE1 3.22Å; K95-E99 HydrophobicContact CG-CG 4.43Å; K95-E99 IonicContact NZ-OE1 3.83Å; K95-E99 PolarHBondContact NZ-OE1 2.94Å; K95-E99 WeakPolarHBondContact O-CB 3.23Å; K95-E99 VanDerWaalsContact O-CG 3.3Å; K95-E99 WeakPolarHBondContact O-CG 3.27Å; K95-E99 PolarHBondContact O-N 2.9Å
96R94.7Very high89.3Confident163 Ų163106.9 Ų106.962%0.61553%0.53SS*.Hα-helixtrans-63.1-39.6176.6-75.4173.3-179.3177.4-0.7111.9K92 I93 A94 E98 E99 E100K92-R96 VanDerWaalsContact O-CG 3.31Å; K92-R96 WeakPolarHBondContact O-CG 3.37Å; K92-R96 PolarHBondContact O-N 2.99Å; K92-R96 VanDerWaalsContact O-N 3.09Å; I93-R96 PolarHBondContact O-N 3.08Å; I93-R96 VanDerWaalsContact O-N 3.1Å; A94-R96 PolarHBondContact O-N 3.13Å; R96-E98 VanDerWaalsContact C-N 3.32Å; R96-E99 PolarHBondContact O-N 2.91Å; R96-E100 VanDerWaalsContact O-CB 3.31Å; R96-E100 WeakPolarHBondContact O-CB 3.5Å; R96-E100 VanDerWaalsContact O-CG 3.28Å; R96-E100 WeakPolarHBondContact O-CG 3.46Å; R96-E100 PolarHBondContact O-N 3.07Å
97I96.1Very high91Very high103 Ų103100.5 Ų100.553%0.52850%0.504SS..Hα-helixtrans-60.9-45.3176.2-69.2168.3000109.9I93 A94 K95 T101I93-I97 HydrophobicContact CG2-CD1 3.82Å; I93-I97 HydrophobicContact CG2-CG1 4.35Å; I93-I97 WeakPolarHBondContact O-CG1 3.29Å; I93-I97 PolarHBondContact O-N 2.75Å; A94-I97 WeakPolarHBondContact O-CB 3.41Å; A94-I97 PolarHBondContact O-N 2.76Å; K95-I97 VanDerWaalsContact C-N 3.32Å; K95-I97 PolarHBondContact O-N 2.7Å; I97-T101 VanDerWaalsContact O-CB 3.27Å; I97-T101 WeakPolarHBondContact O-CB 3.5Å; I97-T101 PolarHBondContact O-N 3.49Å; I97-T101 PolarHBondContact O-OG1 2.82Å
98E96.7Very high92.4Very high138 Ų13897.5 Ų97.565%0.64549%0.487SS*.Hα-helixtrans-62.3-51177.5-174.5175.2-164.400111.7A94 K95 R96 E100 T101 E102A94-E98 PolarHBondContact O-N 3.03Å; K95-E98 PolarHBondContact O-N 2.96Å; R96-E98 VanDerWaalsContact C-N 3.32Å; E98-E100 VanDerWaalsContact C-N 3.34Å; E98-E100 PolarHBondContact O-N 3.44Å; E98-T101 PolarHBondContact O-N 3.45Å; E98-T101 VanDerWaalsContact O-N 3.13Å; E98-E102 PolarHBondContact O-N 3.39Å
99E94.5Very high93.5Very high71 Ų7195 Ų9533%0.33247%0.474SS..Hα-helixtrans-57-44.8177.6-73.1170.5172.500111.8K95 R96 R103K95-E99 WeakPolarHBondContact CE-OE1 3.22Å; K95-E99 HydrophobicContact CG-CG 4.43Å; K95-E99 IonicContact NZ-OE1 3.83Å; K95-E99 PolarHBondContact NZ-OE1 2.94Å; K95-E99 WeakPolarHBondContact O-CB 3.23Å; K95-E99 VanDerWaalsContact O-CG 3.3Å; K95-E99 WeakPolarHBondContact O-CG 3.27Å; K95-E99 PolarHBondContact O-N 2.9Å; R96-E99 PolarHBondContact O-N 2.91Å; E99-R103 WeakPolarHBondContact O-CB 3.45Å; E99-R103 PolarHBondContact O-N 3.43Å
100E94.5Very high93.9Very high79 Ų7992.9 Ų92.937%0.36946%0.464SS..Hα-helixtrans-70.9-32.6178.2-71.8-54.1127.400112.8R96 E98 R103 K104R96-E100 VanDerWaalsContact O-CB 3.31Å; R96-E100 WeakPolarHBondContact O-CB 3.5Å; R96-E100 VanDerWaalsContact O-CG 3.28Å; R96-E100 WeakPolarHBondContact O-CG 3.46Å; R96-E100 PolarHBondContact O-N 3.07Å; E98-E100 VanDerWaalsContact C-N 3.34Å; E98-E100 PolarHBondContact O-N 3.44Å; E100-R103 VanDerWaalsContact CD-NE 3.33Å; E100-R103 IonicContact OE1-CZ 2.83Å; E100-R103 VanDerWaalsContact OE1-CZ 3.32Å; E100-R103 IonicContact OE1-NE 2.7Å; E100-R103 PolarHBondContact OE1-NE 2.9Å; E100-R103 IonicContact OE1-NH2 2.57Å; E100-R103 PolarHBondContact OE1-NH2 2.95Å; E100-R103 VanDerWaalsContact OE1-NH2 3.16Å; E100-R103 WeakPolarHBondContact OE2-CD 3.32Å; E100-R103 IonicContact OE2-NE 2.67Å; E100-R103 PolarHBondContact OE2-NE 3.41Å; E100-K104 WeakPolarHBondContact O-CB 3.27Å; E100-K104 WeakPolarHBondContact O-CG 3.19Å; E100-K104 PolarHBondContact O-N 3.41Å
101T95.8Very high94.2Very high85 Ų8594.8 Ų94.852%0.52147%0.473SS..Hα-helixtrans-67.5-48.1175.4-60.50000110.3I97 E98 R103 K104 Y105I97-T101 VanDerWaalsContact O-CB 3.27Å; I97-T101 WeakPolarHBondContact O-CB 3.5Å; I97-T101 PolarHBondContact O-N 3.49Å; I97-T101 PolarHBondContact O-OG1 2.82Å; E98-T101 PolarHBondContact O-N 3.45Å; E98-T101 VanDerWaalsContact O-N 3.13Å; T101-R103 VanDerWaalsContact C-N 3.34Å; T101-R103 PolarHBondContact O-N 3.06Å; T101-K104 PolarHBondContact O-N 2.92Å; T101-Y105 PolarHBondContact O-N 2.83Å
102E94Very high94.3Very high98 Ų9895.5 Ų95.546%0.45847%0.474SS..Hα-helixtrans-61.4-43.8175.3-167.1-161.9155.700111E98 K104 Y105 R106E98-E102 PolarHBondContact O-N 3.39Å; E102-K104 VanDerWaalsContact C-N 3.31Å; E102-K104 PolarHBondContact O-N 3.18Å; E102-Y105 PolarHBondContact O-N 3.36Å; E102-R106 WeakPolarHBondContact O-CG 3.28Å; E102-R106 PolarHBondContact O-N 3.29Å; E102-R106 IonicContact OE1-CZ 3.17Å; E102-R106 VanDerWaalsContact OE1-CZ 3.25Å; E102-R106 IonicContact OE1-NE 3.16Å; E102-R106 IonicContact OE1-NH1 2.98Å; E102-R106 PolarHBondContact OE1-NH1 2.97Å; E102-R106 IonicContact OE1-NH2 2.82Å
103R92.3Very high94.4Very high83 Ų8389.5 Ų89.531%0.31345%0.448SS..Hα-helixtrans-55.4-45.3174.6-175.9-161.3-62-89.3-6.8111.3E99 E100 T101 S107 R125 E129E99-R103 WeakPolarHBondContact O-CB 3.45Å; E99-R103 PolarHBondContact O-N 3.43Å; E100-R103 VanDerWaalsContact CD-NE 3.33Å; E100-R103 IonicContact OE1-CZ 2.83Å; E100-R103 VanDerWaalsContact OE1-CZ 3.32Å; E100-R103 IonicContact OE1-NE 2.7Å; E100-R103 PolarHBondContact OE1-NE 2.9Å; E100-R103 IonicContact OE1-NH2 2.57Å; E100-R103 PolarHBondContact OE1-NH2 2.95Å; E100-R103 VanDerWaalsContact OE1-NH2 3.16Å; E100-R103 WeakPolarHBondContact OE2-CD 3.32Å; E100-R103 IonicContact OE2-NE 2.67Å; E100-R103 PolarHBondContact OE2-NE 3.41Å; T101-R103 VanDerWaalsContact C-N 3.34Å; T101-R103 PolarHBondContact O-N 3.06Å; R103-S107 PolarHBondContact O-OG 3.39Å; R103-R125 PolarHBondContact O-NH2 3.45Å; R103-E129 IonicContact CZ-OE1 3.07Å; R103-E129 IonicContact NH1-OE1 2.82Å; R103-E129 PolarHBondContact NH1-OE1 3.35Å; R103-E129 IonicContact NH2-OE1 2.93Å; R103-E129 PolarHBondContact NH2-OE1 2.99Å
104K93.5Very high94.4Very high146 Ų14688 Ų8864%0.63545%0.451SS*.Hα-helixtrans-66.6-44.6176.7-75.1173.8-176.6176.40111.5E100 T101 E102 R106 S107E100-K104 WeakPolarHBondContact O-CB 3.27Å; E100-K104 WeakPolarHBondContact O-CG 3.19Å; E100-K104 PolarHBondContact O-N 3.41Å; T101-K104 PolarHBondContact O-N 2.92Å; E102-K104 VanDerWaalsContact C-N 3.31Å; E102-K104 PolarHBondContact O-N 3.18Å; K104-R106 PolarHBondContact O-N 3.46Å; K104-S107 WeakPolarHBondContact O-CA 3.31Å; K104-S107 WeakPolarHBondContact O-CB 3.45Å; K104-S107 PolarHBondContact O-N 3.2Å; K104-S107 PolarHBondContact O-OG 3.38Å; K104-S107 VanDerWaalsContact O-OG 3.13Å
105Y94.1Very high94.3Very high177 Ų17790.6 Ų90.669%0.69446%0.456SS*.Hα-helixtrans-60.2-44.7179.6-165.7-96.4000112.4T101 E102 S107 L108T101-Y105 PolarHBondContact O-N 2.83Å; E102-Y105 PolarHBondContact O-N 3.36Å; Y105-S107 PolarHBondContact O-N 2.93Å; Y105-L108 HydrophobicContact CD2-CD1 3.65Å; Y105-L108 HydrophobicContact CE2-CD1 3.93Å; Y105-L108 HydrophobicContact CG-CD1 4.25Å; Y105-L108 WeakPolarHBondContact O-CB 3.28Å; Y105-L108 WeakPolarHBondContact O-CG 3.37Å; Y105-L108 PolarHBondContact O-N 2.95Å; Y105-L108 VanDerWaalsContact O-N 3.08Å
106R93.3Very high94.2Very high49 Ų4986.8 Ų86.819%0.18544%0.441CS..Hα-helixtrans-57.5-21.3173.4-73.7-167-74.3-128.1-12.5113.8E102 K104 F121 D130 R132E102-R106 WeakPolarHBondContact O-CG 3.28Å; E102-R106 PolarHBondContact O-N 3.29Å; E102-R106 IonicContact OE1-CZ 3.17Å; E102-R106 VanDerWaalsContact OE1-CZ 3.25Å; E102-R106 IonicContact OE1-NE 3.16Å; E102-R106 IonicContact OE1-NH1 2.98Å; E102-R106 PolarHBondContact OE1-NH1 2.97Å; E102-R106 IonicContact OE1-NH2 2.82Å; K104-R106 PolarHBondContact O-N 3.46Å; R106-F121 WeakPolarHBondContact O-CZ 3.36Å; R106-D130 IonicContact NH1-OD1 2.67Å; R106-R132 HydrophobicContact CB-CB 3.88Å; R106-R132 HydrophobicContact CG-CB 3.84Å; R106-R132 WeakPolarHBondContact O-CA 3.4Å
107S93.6Very high94.2Very high32 Ų3279 Ų7922%0.22441%0.412CS..THydrogen-bonded Turntrans-84.4-14.2-178.9-39.90000114.1R103 K104 Y105 C109 R125R103-S107 PolarHBondContact O-OG 3.39Å; K104-S107 WeakPolarHBondContact O-CA 3.31Å; K104-S107 WeakPolarHBondContact O-CB 3.45Å; K104-S107 PolarHBondContact O-N 3.2Å; K104-S107 PolarHBondContact O-OG 3.38Å; K104-S107 VanDerWaalsContact O-OG 3.13Å; Y105-S107 PolarHBondContact O-N 2.93Å; S107-C109 PolarHBondContact O-N 3Å; S107-R125 VanDerWaalsContact CB-NH1 3.3Å; S107-R125 PolarHBondContact OG-NH1 3.36Å; S107-R125 PolarHBondContact OG-NH2 2.88Å
108L94.8Very high94.2Very high109 Ų10979.5 Ų79.557%0.57141%0.407SS*.  trans-66.5106.5-170.4-67.3177.4000109.6Y105 W133Y105-L108 HydrophobicContact CD2-CD1 3.65Å; Y105-L108 HydrophobicContact CE2-CD1 3.93Å; Y105-L108 HydrophobicContact CG-CD1 4.25Å; Y105-L108 WeakPolarHBondContact O-CB 3.28Å; Y105-L108 WeakPolarHBondContact O-CG 3.37Å; Y105-L108 PolarHBondContact O-N 2.95Å; Y105-L108 VanDerWaalsContact O-N 3.08Å; L108-W133 VanDerWaalsContact C-CD1 3.49Å
109C95Very high94.2Very high51 Ų5178.3 Ų78.335%0.34540%0.396SS..  trans-74.6131.3-179.1-177.10000110.4S107 R118 W133S107-C109 PolarHBondContact O-N 3Å; C109-R118 WeakPolarHBondContact SG-CG 3.3Å; C109-W133 HydrophobicContact CB-CZ2 4.07Å; C109-W133 VanDerWaalsContact SG-CZ2 3.59Å
110P94.5Very high94.3Very high29 Ų2974.9 Ų74.919%0.18838%0.381CS..  trans-56.2142.4172.2-16.422.1000111.5T112 C113 W133 D135P110-T112 PolarHBondContact O-N 2.85Å; P110-C113 HydrophobicContact CB-CB 4.22Å; P110-C113 HydrophobicContact CG-CB 4.31Å; P110-C113 WeakPolarHBondContact O-CB 3.48Å; P110-C113 PolarHBondContact O-N 3.1Å; P110-C113 VanDerWaalsContact O-N 3.14Å; P110-W133 VanDerWaalsContact CD-CG 3.45Å; P110-W133 HydrophobicContact CG-CB 4.13Å; P110-W133 HydrophobicContact CG-CD2 4.15Å; P110-W133 HydrophobicContact CG-CE3 4Å; P110-W133 HydrophobicContact CG-CG 4.23Å; P110-D135 WeakPolarHBondContact CG-O 3.5Å
111S94Very high94.4Very high114 Ų11471.6 Ų71.680%0.79737%0.365SS*.THydrogen-bonded Turntrans-61.8-30.2177.952.90000112.6
112T94.7Very high94.3Very high100 Ų10071.4 Ų71.461%0.61336%0.363SS*.THydrogen-bonded Turntrans-77-18.5178.543.50000113.8P110 G114 D136P110-T112 PolarHBondContact O-N 2.85Å; T112-G114 PolarHBondContact O-N 3.22Å; T112-D136 VanDerWaalsContact CB-OD1 3.3Å; T112-D136 WeakPolarHBondContact CB-OD1 3.27Å; T112-D136 PolarHBondContact OG1-OD1 3.25Å; T112-D136 PolarHBondContact OG1-OD2 3.42Å
113C93.8Very high94.4Very high3 Ų368.6 Ų68.62%0.0235%0.353CS..  trans-70.7127.5-176.2178.80000111.6P110 R118 W133 D136 Y150P110-C113 HydrophobicContact CB-CB 4.22Å; P110-C113 HydrophobicContact CG-CB 4.31Å; P110-C113 WeakPolarHBondContact O-CB 3.48Å; P110-C113 PolarHBondContact O-N 3.1Å; P110-C113 VanDerWaalsContact O-N 3.14Å; C113-R118 PolarHBondContact O-NE 2.97Å; C113-R118 PolarHBondContact O-NH2 3.37Å; C113-W133 HydrophobicContact CB-CH2 4.35Å; C113-W133 HydrophobicContact CB-CZ3 4.2Å; C113-W133 WeakPolarHBondContact SG-CH2 3.41Å; C113-W133 WeakPolarHBondContact SG-CZ3 3.44Å; C113-D136 PolarHBondContact N-OD1 3.01Å; C113-Y150 PolarHBondContact SG-OH 3.18Å
114G92.5Very high94.6Very high41 Ų4164.7 Ų64.742%0.42334%0.338SS..  trans-68.3168176.400000114.3T112 D116 G117 R118T112-G114 PolarHBondContact O-N 3.22Å; G114-D116 VanDerWaalsContact C-N 3.26Å; G114-D116 PolarHBondContact O-N 2.9Å; G114-G117 PolarHBondContact O-N 3.22Å; G114-R118 WeakPolarHBondContact O-CG 3.45Å; G114-R118 PolarHBondContact O-N 2.96Å
115I92.8Very high94.7Very high109 Ų10961.8 Ų61.856%0.55932%0.324SS*.Hα-helixtrans-58.8-37.1-177.7-67.2168.6000112R118 R119I115-R118 PolarHBondContact O-N 3.37Å; I115-R119 HydrophobicContact CG2-CG 4.28Å; I115-R119 WeakPolarHBondContact O-CG 3.16Å; I115-R119 PolarHBondContact O-N 2.88Å
116D93Very high94.6Very high43 Ų4361.4 Ų61.423%0.2333%0.325CS..Hα-helixtrans-68.3-41.1-177.2-60-36.7000111.7G114 R119 L120 Y150 W186G114-D116 VanDerWaalsContact C-N 3.26Å; G114-D116 PolarHBondContact O-N 2.9Å; D116-R119 PolarHBondContact O-N 2.67Å; D116-L120 WeakPolarHBondContact O-CB 3.47Å; D116-L120 PolarHBondContact O-N 3.47Å; D116-Y150 HydrophobicContact CB-CD2 4.37Å; D116-W186 HydrophobicContact CB-CZ2 4.33Å; D116-W186 VanDerWaalsContact OD2-CH2 3.24Å; D116-W186 WeakPolarHBondContact OD2-CH2 3.41Å; D116-W186 VanDerWaalsContact OD2-CZ2 3.23Å; D116-W186 WeakPolarHBondContact OD2-CZ2 3.48Å
117G95.7Very high94.5Very high0 Ų063.5 Ų63.50%034%0.344CS..Hα-helixtrans-60.7-46.9172.700000111.6G114 R119 L120 F121 Y150G114-G117 PolarHBondContact O-N 3.22Å; G117-R119 VanDerWaalsContact C-N 3.34Å; G117-R119 PolarHBondContact O-N 3.13Å; G117-L120 PolarHBondContact O-N 2.74Å; G117-F121 WeakPolarHBondContact O-CB 3.08Å; G117-F121 PolarHBondContact O-N 3.19Å; G117-Y150 VanDerWaalsContact CA-CZ 3.46Å
118R95.6Very high94.6Very high113 Ų11362.3 Ų62.343%0.42634%0.335SS..Hα-helixtrans-56.4-46.4176.4-69.1174.1-164.7-166.92.9112.2C109 C113 G114 I115 F121 V122C109-R118 WeakPolarHBondContact SG-CG 3.3Å; C113-R118 PolarHBondContact O-NE 2.97Å; C113-R118 PolarHBondContact O-NH2 3.37Å; G114-R118 WeakPolarHBondContact O-CG 3.45Å; G114-R118 PolarHBondContact O-N 2.96Å; I115-R118 PolarHBondContact O-N 3.37Å; R118-F121 PolarHBondContact O-N 2.93Å; R118-V122 WeakPolarHBondContact O-CG2 3.35Å; R118-V122 PolarHBondContact O-N 2.88Å
119R95.2Very high94.4Very high112 Ų11262.8 Ų62.842%0.42333%0.334SS..Hα-helixtrans-65.9-44.6179.3-73.6175.7175.1-173.6-2.9111.5I115 D116 G117 V122 V123 F181I115-R119 HydrophobicContact CG2-CG 4.28Å; I115-R119 WeakPolarHBondContact O-CG 3.16Å; I115-R119 PolarHBondContact O-N 2.88Å; D116-R119 PolarHBondContact O-N 2.67Å; G117-R119 VanDerWaalsContact C-N 3.34Å; G117-R119 PolarHBondContact O-N 3.13Å; R119-V122 PolarHBondContact O-N 3.37Å; R119-V123 WeakPolarHBondContact O-CG2 3.03Å; R119-V123 PolarHBondContact O-N 2.9Å; R119-V123 VanDerWaalsContact O-N 3.13Å; R119-F181 HydrophobicContact CB-CE2 3.81Å; R119-F181 HydrophobicContact CB-CZ 3.84Å
120L96.5Very high94.4Very high0 Ų062.2 Ų62.20%033%0.327CS..Hα-helixtrans-63-42.4177.9177.561.7000111.5D116 G117 V122 V123 I124 I138 V146 Y150 V178 F181D116-L120 WeakPolarHBondContact O-CB 3.47Å; D116-L120 PolarHBondContact O-N 3.47Å; G117-L120 PolarHBondContact O-N 2.74Å; L120-V122 VanDerWaalsContact C-N 3.3Å; L120-V122 PolarHBondContact O-N 3.18Å; L120-V123 WeakPolarHBondContact O-CA 3.32Å; L120-V123 WeakPolarHBondContact O-CB 3.35Å; L120-V123 PolarHBondContact O-N 2.89Å; L120-I124 HydrophobicContact CD1-CD1 4Å; L120-I124 HydrophobicContact CD1-CG1 4.03Å; L120-I124 HydrophobicContact CD2-CD1 4.29Å; L120-I124 HydrophobicContact CG-CD1 3.82Å; L120-I124 HydrophobicContact CG-CG1 4.29Å; L120-I124 PolarHBondContact O-N 3.48Å; L120-I138 HydrophobicContact CB-CD1 4.12Å; L120-I138 HydrophobicContact CD2-CD1 3.92Å; L120-I138 HydrophobicContact CG-CD1 3.89Å; L120-V146 HydrophobicContact CD2-CG1 3.92Å; L120-Y150 HydrophobicContact CD2-CD1 4.34Å; L120-Y150 HydrophobicContact CD2-CG 4.39Å; L120-V178 HydrophobicContact CD1-CG2 4.1Å; L120-V178 HydrophobicContact CD2-CG1 4.41Å; L120-V178 HydrophobicContact CD2-CG2 3.98Å; L120-F181 HydrophobicContact CB-CD1 4.16Å; L120-F181 HydrophobicContact CB-CE1 3.95Å; L120-F181 HydrophobicContact CB-CE2 4.45Å; L120-F181 HydrophobicContact CB-CG 4.49Å; L120-F181 HydrophobicContact CB-CZ 4.11Å; L120-F181 HydrophobicContact CD1-CB 3.85Å; L120-F181 HydrophobicContact CD1-CD1 3.83Å; L120-F181 HydrophobicContact CD1-CD2 4.34Å; L120-F181 HydrophobicContact CD1-CE1 4.49Å; L120-F181 HydrophobicContact CD1-CG 3.74Å; L120-F181 HydrophobicContact CG-CD1 4.44Å
121F97.1Very high94.5Very high10 Ų1060.9 Ų60.94%0.04432%0.319CS..Hα-helixtrans-55.5-46.6176.4-177.2-88.8000111.5R106 G117 R118 V123 I124 R125 V131 W133 I138R106-F121 WeakPolarHBondContact O-CZ 3.36Å; G117-F121 WeakPolarHBondContact O-CB 3.08Å; G117-F121 PolarHBondContact O-N 3.19Å; R118-F121 PolarHBondContact O-N 2.93Å; F121-V123 VanDerWaalsContact C-N 3.28Å; F121-V123 PolarHBondContact O-N 3.06Å; F121-I124 PolarHBondContact O-N 3.18Å; F121-R125 WeakPolarHBondContact O-CB 3.44Å; F121-R125 PolarHBondContact O-N 3.16Å; F121-V131 HydrophobicContact CD2-CG2 4.05Å; F121-V131 HydrophobicContact CE2-CB 4.5Å; F121-V131 HydrophobicContact CE2-CG1 4.22Å; F121-V131 HydrophobicContact CE2-CG2 3.74Å; F121-V131 HydrophobicContact CZ-CG1 4.09Å; F121-V131 HydrophobicContact CZ-CG2 4.44Å; F121-W133 HydrophobicContact CB-CH2 3.86Å; F121-W133 HydrophobicContact CB-CZ2 3.42Å; F121-W133 VanDerWaalsContact CB-CZ2 3.42Å; F121-W133 HydrophobicContact CD1-CZ2 4.23Å; F121-W133 AromaticContact CD1-NE1 3.98Å; F121-W133 HydrophobicContact CD2-CD2 4.05Å; F121-W133 AromaticContact CD2-CE2 3.46Å; F121-W133 VanDerWaalsContact CD2-CE2 3.46Å; F121-W133 HydrophobicContact CD2-CG 4.49Å; F121-W133 HydrophobicContact CD2-CH2 4.32Å; F121-W133 AromaticContact CD2-CZ2 3.64Å; F121-W133 HydrophobicContact CD2-CZ2 3.64Å; F121-W133 AromaticContact CD2-NE1 3.53Å; F121-W133 AromaticContact CE1-NE1 3.93Å; F121-W133 AromaticContact CE2-CD1 3.75Å; F121-W133 HydrophobicContact CE2-CD2 4.3Å; F121-W133 AromaticContact CE2-CE2 3.87Å; F121-W133 HydrophobicContact CE2-CG 4.27Å; F121-W133 HydrophobicContact CE2-CZ2 4.47Å; F121-W133 AromaticContact CE2-NE1 3.48Å; F121-W133 AromaticContact CG-CE2 3.71Å; F121-W133 HydrophobicContact CG-CH2 4.31Å; F121-W133 AromaticContact CG-CZ2 3.5Å; F121-W133 HydrophobicContact CG-CZ2 3.5Å; F121-W133 VanDerWaalsContact CG-CZ2 3.5Å; F121-W133 AromaticContact CG-NE1 3.8Å; F121-W133 AromaticContact CZ-NE1 3.7Å; F121-I138 HydrophobicContact CB-CD1 3.95Å; F121-I138 HydrophobicContact CB-CG1 4.39Å; F121-I138 HydrophobicContact CD2-CG1 4.18Å; F121-I138 HydrophobicContact CD2-CG2 3.91Å; F121-I138 HydrophobicContact CE2-CG2 4.48Å
122V95Very high94.6Very high80 Ų8059.1 Ų59.149%0.48530%0.295SS..Hα-helixtrans-60.9-37.6176.1173.40000111.7R118 R119 L120 K126R118-V122 WeakPolarHBondContact O-CG2 3.35Å; R118-V122 PolarHBondContact O-N 2.88Å; R119-V122 PolarHBondContact O-N 3.37Å; L120-V122 VanDerWaalsContact C-N 3.3Å; L120-V122 PolarHBondContact O-N 3.18Å; V122-K126 WeakPolarHBondContact O-CG 3.29Å; V122-K126 PolarHBondContact O-N 2.82Å
123V95.3Very high94.7Very high40 Ų4055.9 Ų55.924%0.24227%0.271CS..Hα-helixtrans-67.9-49177.7170.70000111.6R119 L120 F121 R125 K126 I177 F181 F185R119-V123 WeakPolarHBondContact O-CG2 3.03Å; R119-V123 PolarHBondContact O-N 2.9Å; R119-V123 VanDerWaalsContact O-N 3.13Å; L120-V123 WeakPolarHBondContact O-CA 3.32Å; L120-V123 WeakPolarHBondContact O-CB 3.35Å; L120-V123 PolarHBondContact O-N 2.89Å; F121-V123 VanDerWaalsContact C-N 3.28Å; F121-V123 PolarHBondContact O-N 3.06Å; V123-R125 VanDerWaalsContact C-N 3.28Å; V123-R125 PolarHBondContact O-N 2.98Å; V123-K126 PolarHBondContact O-N 3.17Å; V123-I177 HydrophobicContact CG1-CG2 3.95Å; V123-F181 HydrophobicContact CG2-CD2 3.99Å; V123-F181 HydrophobicContact CG2-CE2 4.45Å; V123-F185 HydrophobicContact CG2-CE2 4.44Å
124I96.6Very high94.8Very high0 Ų057.3 Ų57.30%028%0.282CS..Hα-helixtrans-59.1-44.7178.2-67.8171.4000110L120 F121 K126 T127 I128 V131 I138 V140 V146 I177L120-I124 HydrophobicContact CD1-CD1 4Å; L120-I124 HydrophobicContact CD1-CG1 4.03Å; L120-I124 HydrophobicContact CD2-CD1 4.29Å; L120-I124 HydrophobicContact CG-CD1 3.82Å; L120-I124 HydrophobicContact CG-CG1 4.29Å; L120-I124 PolarHBondContact O-N 3.48Å; F121-I124 PolarHBondContact O-N 3.18Å; I124-K126 PolarHBondContact O-N 3.33Å; I124-T127 PolarHBondContact O-N 2.9Å; I124-T127 PolarHBondContact O-OG1 2.93Å; I124-I128 HydrophobicContact CG2-CB 4.29Å; I124-I128 HydrophobicContact CG2-CD1 4.3Å; I124-I128 PolarHBondContact O-N 2.82Å; I124-V131 HydrophobicContact CG2-CB 4.25Å; I124-V131 HydrophobicContact CG2-CG2 3.84Å; I124-I138 HydrophobicContact CD1-CD1 4.22Å; I124-I138 HydrophobicContact CD1-CG2 4.07Å; I124-V140 HydrophobicContact CG2-CG2 4.09Å; I124-V146 HydrophobicContact CD1-CG2 4.41Å; I124-I177 HydrophobicContact CG1-CG2 3.88Å
125R94.9Very high94.8Very high86 Ų8662 Ų6233%0.32530%0.297SS..Hα-helixtrans-62.5-26-177.2-168.2172.7-168.8-171.512.9114.7R103 S107 F121 V123 T127 I128 V131R103-R125 PolarHBondContact O-NH2 3.45Å; S107-R125 VanDerWaalsContact CB-NH1 3.3Å; S107-R125 PolarHBondContact OG-NH1 3.36Å; S107-R125 PolarHBondContact OG-NH2 2.88Å; F121-R125 WeakPolarHBondContact O-CB 3.44Å; F121-R125 PolarHBondContact O-N 3.16Å; V123-R125 VanDerWaalsContact C-N 3.28Å; V123-R125 PolarHBondContact O-N 2.98Å; R125-T127 PolarHBondContact O-N 2.67Å; R125-I128 WeakPolarHBondContact CA-O 3.37Å; R125-V131 HydrophobicContact CB-CG1 3.77Å; R125-V131 HydrophobicContact CG-CG1 3.8Å
126K93.3Very high95Very high169 Ų16959.1 Ų59.174%0.73528%0.283SS*.THydrogen-bonded Turntrans-66.3-25.7175.1-75.8174.6179.7-174.30112.7V122 V123 I124V122-K126 WeakPolarHBondContact O-CG 3.29Å; V122-K126 PolarHBondContact O-N 2.82Å; V123-K126 PolarHBondContact O-N 3.17Å; I124-K126 PolarHBondContact O-N 3.33Å
127T91.2Very high95.2Very high93 Ų9357.7 Ų57.757%0.57128%0.276SS*.THydrogen-bonded Turntrans-111.3-23.6-176.550.70000113.3I124 R125I124-T127 PolarHBondContact O-N 2.9Å; I124-T127 PolarHBondContact O-OG1 2.93Å; R125-T127 PolarHBondContact O-N 2.67Å
128I94.2Very high95.3Very high7 Ų757.7 Ų57.74%0.03628%0.276CS..  trans-132.5119.6-174.2-59.9173.1000108.9I124 R125 V140 F141 V174 I177I124-I128 HydrophobicContact CG2-CB 4.29Å; I124-I128 HydrophobicContact CG2-CD1 4.3Å; I124-I128 PolarHBondContact O-N 2.82Å; R125-I128 WeakPolarHBondContact CA-O 3.37Å; I128-V140 HydrophobicContact CD1-CG1 3.87Å; I128-V140 HydrophobicContact CG2-CG1 3.85Å; I128-F141 HydrophobicContact CD1-CE2 4.23Å; I128-F141 HydrophobicContact CG1-CE2 4.34Å; I128-F141 HydrophobicContact CG2-CD2 4.13Å; I128-F141 HydrophobicContact CG2-CE1 4.18Å; I128-F141 HydrophobicContact CG2-CE2 3.51Å; I128-F141 HydrophobicContact CG2-CZ 3.54Å; I128-V174 HydrophobicContact CD1-CG2 4.43Å; I128-I177 HydrophobicContact CD1-CD1 3.86Å
129E91.5Very high95.4Very high119 Ų11952.5 Ų52.556%0.55626%0.256SS*.SBendtrans-78.3-39-177.4-169.9164.5-153.300112.8R103 V131R103-E129 IonicContact CZ-OE1 3.07Å; R103-E129 IonicContact NH1-OE1 2.82Å; R103-E129 PolarHBondContact NH1-OE1 3.35Å; R103-E129 IonicContact NH2-OE1 2.93Å; R103-E129 PolarHBondContact NH2-OE1 2.99Å; E129-V131 VanDerWaalsContact C-N 3.27Å; E129-V131 PolarHBondContact O-N 3.17Å
130D94.3Very high95.4Very high38 Ų3847.1 Ų47.120%0.20324%0.236CC..SBendtrans-82.273.8177.1-168.312.3000111.2R106 F141R106-D130 IonicContact NH1-OD1 2.67Å; D130-F141 HydrophobicContact CB-CD1 3.73Å; D130-F141 HydrophobicContact CB-CE1 3.97Å; D130-F141 PolarHBondContact O-N 3.22Å
131V96.6Very high95.3Very high1 Ų151 Ų511%0.00625%0.253CS..EExtended strand (participates in β ladder)trans-130.8136.3174.566.10000109.7F121 I124 R125 E129 I138 E139 V140F121-V131 HydrophobicContact CD2-CG2 4.05Å; F121-V131 HydrophobicContact CE2-CB 4.5Å; F121-V131 HydrophobicContact CE2-CG1 4.22Å; F121-V131 HydrophobicContact CE2-CG2 3.74Å; F121-V131 HydrophobicContact CZ-CG1 4.09Å; F121-V131 HydrophobicContact CZ-CG2 4.44Å; I124-V131 HydrophobicContact CG2-CB 4.25Å; I124-V131 HydrophobicContact CG2-CG2 3.84Å; R125-V131 HydrophobicContact CB-CG1 3.77Å; R125-V131 HydrophobicContact CG-CG1 3.8Å; E129-V131 VanDerWaalsContact C-N 3.27Å; E129-V131 PolarHBondContact O-N 3.17Å; V131-I138 HydrophobicContact CG2-CG2 3.43Å; V131-I138 VanDerWaalsContact CG2-CG2 3.43Å; V131-E139 WeakPolarHBondContact CA-O 3.31Å; V131-V140 HydrophobicContact CG2-CG2 4.25Å
132R96.6Very high95.2Very high78 Ų7855.1 Ų55.129%0.29427%0.273SS..EExtended strand (participates in β ladder)trans-145.8172.4177.369.8-179.8-174.9-159.6-7111.7R106 E139R106-R132 HydrophobicContact CB-CB 3.88Å; R106-R132 HydrophobicContact CG-CB 3.84Å; R106-R132 WeakPolarHBondContact O-CA 3.4Å; R132-E139 HydrophobicContact CG-CB 4.01Å; R132-E139 IonicContact CZ-OE1 2.7Å; R132-E139 IonicContact CZ-OE2 3.05Å; R132-E139 PolarHBondContact N-O 3.08Å; R132-E139 IonicContact NE-OE2 3.97Å; R132-E139 PolarHBondContact NE-OE2 3.34Å; R132-E139 VanDerWaalsContact NH2-CD 3.26Å; R132-E139 IonicContact NH2-OE1 3.19Å; R132-E139 PolarHBondContact NH2-OE1 3.13Å; R132-E139 IonicContact NH2-OE2 3.92Å; R132-E139 PolarHBondContact NH2-OE2 3.27Å; R132-E139 PolarHBondContact O-N 3.41Å
133W97Very high95.2Very high31 Ų3151.4 Ų51.412%0.11725%0.25CS..EExtended strand (participates in β ladder)trans-86.7140.8169.9-65.597.7000110.9L108 C109 P110 C113 F121 I138L108-W133 VanDerWaalsContact C-CD1 3.49Å; C109-W133 HydrophobicContact CB-CZ2 4.07Å; C109-W133 VanDerWaalsContact SG-CZ2 3.59Å; P110-W133 VanDerWaalsContact CD-CG 3.45Å; P110-W133 HydrophobicContact CG-CB 4.13Å; P110-W133 HydrophobicContact CG-CD2 4.15Å; P110-W133 HydrophobicContact CG-CE3 4Å; P110-W133 HydrophobicContact CG-CG 4.23Å; C113-W133 HydrophobicContact CB-CH2 4.35Å; C113-W133 HydrophobicContact CB-CZ3 4.2Å; C113-W133 WeakPolarHBondContact SG-CH2 3.41Å; C113-W133 WeakPolarHBondContact SG-CZ3 3.44Å; F121-W133 HydrophobicContact CB-CH2 3.86Å; F121-W133 HydrophobicContact CB-CZ2 3.42Å; F121-W133 VanDerWaalsContact CB-CZ2 3.42Å; F121-W133 HydrophobicContact CD1-CZ2 4.23Å; F121-W133 AromaticContact CD1-NE1 3.98Å; F121-W133 HydrophobicContact CD2-CD2 4.05Å; F121-W133 AromaticContact CD2-CE2 3.46Å; F121-W133 VanDerWaalsContact CD2-CE2 3.46Å; F121-W133 HydrophobicContact CD2-CG 4.49Å; F121-W133 HydrophobicContact CD2-CH2 4.32Å; F121-W133 AromaticContact CD2-CZ2 3.64Å; F121-W133 HydrophobicContact CD2-CZ2 3.64Å; F121-W133 AromaticContact CD2-NE1 3.53Å; F121-W133 AromaticContact CE1-NE1 3.93Å; F121-W133 AromaticContact CE2-CD1 3.75Å; F121-W133 HydrophobicContact CE2-CD2 4.3Å; F121-W133 AromaticContact CE2-CE2 3.87Å; F121-W133 HydrophobicContact CE2-CG 4.27Å; F121-W133 HydrophobicContact CE2-CZ2 4.47Å; F121-W133 AromaticContact CE2-NE1 3.48Å; F121-W133 AromaticContact CG-CE2 3.71Å; F121-W133 HydrophobicContact CG-CH2 4.31Å; F121-W133 AromaticContact CG-CZ2 3.5Å; F121-W133 HydrophobicContact CG-CZ2 3.5Å; F121-W133 VanDerWaalsContact CG-CZ2 3.5Å; F121-W133 AromaticContact CG-NE1 3.8Å; F121-W133 AromaticContact CZ-NE1 3.7Å; W133-I138 HydrophobicContact CE3-CG1 4.18Å; W133-I138 HydrophobicContact CH2-CD1 4.44Å; W133-I138 HydrophobicContact CH2-CG1 4.04Å; W133-I138 HydrophobicContact CZ3-CG1 3.71Å
134S95.1Very high95.3Very high34 Ų3449.5 Ų49.524%0.23824%0.239CC..EExtended strand (participates in β ladder)trans-131.796.4168.9178.90000106.6S137S134-S137 PolarHBondContact N-O 2.91Å; S134-S137 WeakPolarHBondContact O-CA 3.11Å; S134-S137 WeakPolarHBondContact O-CB 3.4Å; S134-S137 PolarHBondContact O-N 3.19Å; S134-S137 PolarHBondContact O-OG 3.44Å
135D93.7Very high95.3Very high138 Ų13850.5 Ų50.574%0.73824%0.244SC*.THydrogen-bonded Turntrans49.8-138.2-162.5-51.9-49.1000109.8P110 S137P110-D135 WeakPolarHBondContact CG-O 3.5Å; D135-S137 PolarHBondContact O-N 2.98Å; D135-S137 VanDerWaalsContact O-N 3.12Å
136D95.8Very high95.5Very high50 Ų5046.4 Ų46.427%0.26723%0.228SC..THydrogen-bonded Turntrans-72.43.8174.8-70.7-31.6000114.3T112 C113 P148 Y150T112-D136 VanDerWaalsContact CB-OD1 3.3Å; T112-D136 WeakPolarHBondContact CB-OD1 3.27Å; T112-D136 PolarHBondContact OG1-OD1 3.25Å; T112-D136 PolarHBondContact OG1-OD2 3.42Å; C113-D136 PolarHBondContact N-OD1 3.01Å; D136-P148 HydrophobicContact CB-CG 4.05Å; D136-Y150 WeakPolarHBondContact O-CE1 3.43Å; D136-Y150 PolarHBondContact O-OH 3.46Å
137S97.2Very high95.7Very high12 Ų1240.5 Ų40.58%0.08420%0.203CC..EExtended strand (participates in β ladder)trans-100.6151.5-177.5-43.10000111.2S134 D135 V146 H147S134-S137 PolarHBondContact N-O 2.91Å; S134-S137 WeakPolarHBondContact O-CA 3.11Å; S134-S137 WeakPolarHBondContact O-CB 3.4Å; S134-S137 PolarHBondContact O-N 3.19Å; S134-S137 PolarHBondContact O-OG 3.44Å; D135-S137 PolarHBondContact O-N 2.98Å; D135-S137 VanDerWaalsContact O-N 3.12Å; S137-V146 WeakPolarHBondContact CA-O 3.46Å; S137-H147 PolarHBondContact OG-CE1 3.09Å; S137-H147 PolarHBondContact OG-ND1 3.1Å
138I98Very high95.9Very high0 Ų039 Ų390%020%0.195CC..EExtended strand (participates in β ladder)trans-94.8120.3173.9-56.1168.9000108L120 F121 I124 V131 W133 V140 L145 V146 Y150L120-I138 HydrophobicContact CB-CD1 4.12Å; L120-I138 HydrophobicContact CD2-CD1 3.92Å; L120-I138 HydrophobicContact CG-CD1 3.89Å; F121-I138 HydrophobicContact CB-CD1 3.95Å; F121-I138 HydrophobicContact CB-CG1 4.39Å; F121-I138 HydrophobicContact CD2-CG1 4.18Å; F121-I138 HydrophobicContact CD2-CG2 3.91Å; F121-I138 HydrophobicContact CE2-CG2 4.48Å; I124-I138 HydrophobicContact CD1-CD1 4.22Å; I124-I138 HydrophobicContact CD1-CG2 4.07Å; V131-I138 HydrophobicContact CG2-CG2 3.43Å; V131-I138 VanDerWaalsContact CG2-CG2 3.43Å; W133-I138 HydrophobicContact CE3-CG1 4.18Å; W133-I138 HydrophobicContact CH2-CD1 4.44Å; W133-I138 HydrophobicContact CH2-CG1 4.04Å; W133-I138 HydrophobicContact CZ3-CG1 3.71Å; I138-V140 HydrophobicContact CG2-CG2 4.21Å; I138-L145 CarbonylContact O-C 3.54Å; I138-L145 WeakPolarHBondContact O-CA 3.16Å; I138-V146 HydrophobicContact CB-CB 4.23Å; I138-V146 PolarHBondContact N-O 2.57Å; I138-V146 PolarHBondContact O-N 2.83Å; I138-Y150 HydrophobicContact CD1-CD1 4.46Å
139E97.2Very high96Very high4 Ų443 Ų432%0.01922%0.222CC..EExtended strand (participates in β ladder)trans-98.9127.2176-171.6177.4-170.100110.2V131 R132 Q142 V144 L145 K158V131-E139 WeakPolarHBondContact CA-O 3.31Å; R132-E139 HydrophobicContact CG-CB 4.01Å; R132-E139 IonicContact CZ-OE1 2.7Å; R132-E139 IonicContact CZ-OE2 3.05Å; R132-E139 PolarHBondContact N-O 3.08Å; R132-E139 IonicContact NE-OE2 3.97Å; R132-E139 PolarHBondContact NE-OE2 3.34Å; R132-E139 VanDerWaalsContact NH2-CD 3.26Å; R132-E139 IonicContact NH2-OE1 3.19Å; R132-E139 PolarHBondContact NH2-OE1 3.13Å; R132-E139 IonicContact NH2-OE2 3.92Å; R132-E139 PolarHBondContact NH2-OE2 3.27Å; R132-E139 PolarHBondContact O-N 3.41Å; E139-Q142 VanDerWaalsContact OE1-CA 3.31Å; E139-Q142 WeakPolarHBondContact OE1-CA 3.49Å; E139-V144 CarbonylContact C-O 3.51Å; E139-V144 WeakPolarHBondContact CA-O 3.23Å; E139-L145 HydrophobicContact CB-CD2 3.72Å; E139-L145 HydrophobicContact CG-CD2 3.9Å; E139-K158 WeakPolarHBondContact OE1-CD 3.48Å; E139-K158 IonicContact OE1-NZ 3.74Å; E139-K158 PolarHBondContact OE1-NZ 3.48Å; E139-K158 IonicContact OE2-NZ 3.49Å
140V96.9Very high96.1Very high0 Ų038 Ų380%020%0.198CC..EExtended strand (participates in β ladder)trans-119.8127.7-177.2-171.30000108.9I124 I128 V131 I138 Q142 C143 V144 T170 V174I124-V140 HydrophobicContact CG2-CG2 4.09Å; I128-V140 HydrophobicContact CD1-CG1 3.87Å; I128-V140 HydrophobicContact CG2-CG1 3.85Å; V131-V140 HydrophobicContact CG2-CG2 4.25Å; I138-V140 HydrophobicContact CG2-CG2 4.21Å; V140-Q142 PolarHBondContact O-N 2.91Å; V140-C143 PolarHBondContact O-N 3.06Å; V140-C143 VanDerWaalsContact O-N 3.07Å; V140-V144 HydrophobicContact CB-CB 4.42Å; V140-V144 PolarHBondContact N-O 2.87Å; V140-V144 PolarHBondContact O-N 2.89Å; V140-T170 HydrophobicContact CG1-CG2 4.34Å; V140-V174 HydrophobicContact CB-CG2 4.06Å; V140-V174 HydrophobicContact CG1-CG2 3.83Å; V140-V174 HydrophobicContact CG2-CG1 4.47Å; V140-V174 HydrophobicContact CG2-CG2 4.05Å
141F94.3Very high96.2Very high81 Ų8138 Ų3836%0.35520%0.199SC..THydrogen-bonded Turntrans48.725.7-177.1-66.9-65.7000114.4I128 D130 C143 T170I128-F141 HydrophobicContact CD1-CE2 4.23Å; I128-F141 HydrophobicContact CG1-CE2 4.34Å; I128-F141 HydrophobicContact CG2-CD2 4.13Å; I128-F141 HydrophobicContact CG2-CE1 4.18Å; I128-F141 HydrophobicContact CG2-CE2 3.51Å; I128-F141 HydrophobicContact CG2-CZ 3.54Å; D130-F141 HydrophobicContact CB-CD1 3.73Å; D130-F141 HydrophobicContact CB-CE1 3.97Å; D130-F141 PolarHBondContact O-N 3.22Å; F141-C143 PolarHBondContact O-N 3.5Å; F141-T170 HydrophobicContact CB-CG2 4.43Å; F141-T170 HydrophobicContact CD2-CG2 3.65Å; F141-T170 HydrophobicContact CE2-CG2 4.47Å
142Q93.5Very high96.1Very high97 Ų9739 Ų3945%0.45321%0.208SC..THydrogen-bonded Turntrans57.313.6-177.2-53.4171.760.300114.8E139 V140E139-Q142 VanDerWaalsContact OE1-CA 3.31Å; E139-Q142 WeakPolarHBondContact OE1-CA 3.49Å; V140-Q142 PolarHBondContact O-N 2.91Å
143C95.5Very high96.1Very high2 Ų243.1 Ų43.11%0.01423%0.23CC..THydrogen-bonded Turntrans-128.7-17.8-171.672.50000113.3V140 F141 I157 K158 H161 A167V140-C143 PolarHBondContact O-N 3.06Å; V140-C143 VanDerWaalsContact O-N 3.07Å; F141-C143 PolarHBondContact O-N 3.5Å; C143-I157 CarbonylContact O-C 3.58Å; C143-I157 WeakPolarHBondContact O-CA 3.46Å; C143-K158 PolarHBondContact O-N 2.92Å; C143-H161 HydrophobicContact CB-CB 4.28Å; C143-H161 WeakPolarHBondContact CB-CD2 3.18Å; C143-H161 VanDerWaalsContact CB-NE2 3.34Å; C143-H161 WeakPolarHBondContact CB-NE2 3.35Å; C143-A167 HydrophobicContact CB-CB 4.28Å
144V97.5Very high96.1Very high0 Ų042.5 Ų42.50%023%0.231CC..EExtended strand (participates in β ladder)trans-127.3137.9178.1170.70000110.1E139 V140 V155 Q156 T170 L171 V174E139-V144 CarbonylContact C-O 3.51Å; E139-V144 WeakPolarHBondContact CA-O 3.23Å; V140-V144 HydrophobicContact CB-CB 4.42Å; V140-V144 PolarHBondContact N-O 2.87Å; V140-V144 PolarHBondContact O-N 2.89Å; V144-V155 HydrophobicContact CG1-CG1 3.51Å; V144-Q156 CarbonylContact C-O 3.55Å; V144-Q156 WeakPolarHBondContact CA-O 3.34Å; V144-T170 HydrophobicContact CB-CG2 4.23Å; V144-T170 HydrophobicContact CG2-CG2 3.74Å; V144-L171 HydrophobicContact CG1-CD1 4.16Å; V144-L171 HydrophobicContact CG2-CB 4.12Å; V144-L171 HydrophobicContact CG2-CD1 4.23Å; V144-V174 HydrophobicContact CG1-CB 4.16Å; V144-V174 HydrophobicContact CG1-CG1 4.12Å; V144-V174 HydrophobicContact CG1-CG2 4.21Å
145L97.7Very high96.2Very high20 Ų2041.2 Ų41.211%0.10522%0.221CC..EExtended strand (participates in β ladder)trans-115.8138.1174.4-68.1168.7000110.2I138 E139 H147 V155 Q156 K158I138-L145 CarbonylContact O-C 3.54Å; I138-L145 WeakPolarHBondContact O-CA 3.16Å; E139-L145 HydrophobicContact CB-CD2 3.72Å; E139-L145 HydrophobicContact CG-CD2 3.9Å; L145-H147 VanDerWaalsContact CB-NE2 3.34Å; L145-H147 WeakPolarHBondContact CB-NE2 3.4Å; L145-V155 CarbonylContact O-C 3.6Å; L145-V155 WeakPolarHBondContact O-CA 3.43Å; L145-Q156 HydrophobicContact CB-CG 4.48Å; L145-Q156 PolarHBondContact N-O 2.67Å; L145-Q156 PolarHBondContact O-N 3.26Å; L145-K158 HydrophobicContact CD1-CB 4.24Å; L145-K158 HydrophobicContact CD1-CG 4.01Å; L145-K158 HydrophobicContact CG-CB 4.33Å; L145-K158 HydrophobicContact CG-CG 4.45Å
146V98.1Very high96.3Very high0 Ų039.6 Ų39.60%021%0.209CC..EExtended strand (participates in β ladder)trans-112.5107.2167.9-168.10000108.4L120 I124 S137 I138 Y150 V155 V174 V178L120-V146 HydrophobicContact CD2-CG1 3.92Å; I124-V146 HydrophobicContact CD1-CG2 4.41Å; S137-V146 WeakPolarHBondContact CA-O 3.46Å; I138-V146 HydrophobicContact CB-CB 4.23Å; I138-V146 PolarHBondContact N-O 2.57Å; I138-V146 PolarHBondContact O-N 2.83Å; V146-Y150 HydrophobicContact CG1-CD1 4.23Å; V146-V155 HydrophobicContact CG1-CG2 4.09Å; V146-V155 HydrophobicContact CG2-CG1 4.26Å; V146-V155 HydrophobicContact CG2-CG2 4.15Å; V146-V174 HydrophobicContact CG2-CG1 3.56Å; V146-V178 HydrophobicContact CG1-CG2 4.17Å; V146-V178 HydrophobicContact CG2-CG2 4.32Å
147H97.5Very high96.4Very high45 Ų4539.8 Ų39.821%0.20821%0.21CC..  trans-87.2156.3-179.6-62.6-74.2000111.5S137 L145 Y150 S154 Q156S137-H147 PolarHBondContact OG-CE1 3.09Å; S137-H147 PolarHBondContact OG-ND1 3.1Å; L145-H147 VanDerWaalsContact CB-NE2 3.34Å; L145-H147 WeakPolarHBondContact CB-NE2 3.4Å; H147-Y150 VanDerWaalsContact O-CA 3.29Å; H147-Y150 WeakPolarHBondContact O-CA 3.45Å; H147-Y150 PolarHBondContact O-N 2.93Å; H147-S154 PolarHBondContact N-O 3.34Å; H147-S154 VanDerWaalsContact O-CB 3.24Å; H147-S154 WeakPolarHBondContact O-CB 3.37Å; H147-S154 PolarHBondContact O-OG 3.03Å; H147-Q156 PolarHBondContact CD2-NE2 3.45Å; H147-Q156 PolarHBondContact NE2-NE2 2.84Å
148P96.3Very high96.2Very high62 Ų6241.4 Ų41.440%0.40322%0.215SC..THydrogen-bonded Turntrans-48.4140.6158.7-22.531000110.9D136 Y150D136-P148 HydrophobicContact CB-CG 4.05Å; P148-Y150 VanDerWaalsContact C-N 3.31Å; P148-Y150 HydrophobicContact CB-CE2 4.16Å; P148-Y150 HydrophobicContact CG-CE1 4.1Å; P148-Y150 HydrophobicContact CG-CE2 4.1Å
149P94.6Very high95.6Very high92 Ų9247.4 Ų47.460%0.59726%0.257SS*.THydrogen-bonded Turncis-86.825.47.135.7-35.4000114.7T151P149-T151 HydrophobicContact CG-CG2 4.1Å
150Y95.6Very high94.9Very high12 Ų1252.1 Ų52.15%0.04729%0.287CS..  trans62.545.7174.4-47.9-72000114.2C113 D116 G117 L120 D136 I138 V146 H147 P148 S154 V178C113-Y150 PolarHBondContact SG-OH 3.18Å; D116-Y150 HydrophobicContact CB-CD2 4.37Å; G117-Y150 VanDerWaalsContact CA-CZ 3.46Å; L120-Y150 HydrophobicContact CD2-CD1 4.34Å; L120-Y150 HydrophobicContact CD2-CG 4.39Å; D136-Y150 WeakPolarHBondContact O-CE1 3.43Å; D136-Y150 PolarHBondContact O-OH 3.46Å; I138-Y150 HydrophobicContact CD1-CD1 4.46Å; V146-Y150 HydrophobicContact CG1-CD1 4.23Å; H147-Y150 VanDerWaalsContact O-CA 3.29Å; H147-Y150 WeakPolarHBondContact O-CA 3.45Å; H147-Y150 PolarHBondContact O-N 2.93Å; P148-Y150 VanDerWaalsContact C-N 3.31Å; P148-Y150 HydrophobicContact CB-CE2 4.16Å; P148-Y150 HydrophobicContact CG-CE1 4.1Å; P148-Y150 HydrophobicContact CG-CE2 4.1Å; Y150-S154 WeakPolarHBondContact CA-OG 3.48Å; Y150-S154 PolarHBondContact N-OG 3.12Å; Y150-V178 WeakPolarHBondContact O-CG1 3.41Å
151T95.1Very high94Very high39 Ų3954.9 Ų54.924%0.23930%0.299CS..  trans-104.5166.7176.2650000110.9P149 Q153 S154P149-T151 HydrophobicContact CG-CG2 4.1Å; T151-Q153 PolarHBondContact O-N 3.46Å; T151-Q153 VanDerWaalsContact O-N 3.14Å; T151-Q153 PolarHBondContact OG1-OE1 2.8Å; T151-S154 PolarHBondContact N-OG 3.44Å; T151-S154 PolarHBondContact O-N 2.92Å; T151-S154 PolarHBondContact O-OG 2.96Å; T151-S154 PolarHBondContact OG1-N 2.8Å
152A95.8Very high93Very high22 Ų2260.2 Ų60.218%0.18233%0.325CS..G310 helixtrans-60.2-25.4177.200000112.5
153Q95.8Very high92.1Very high165 Ų16557.1 Ų57.177%0.77132%0.319SS*.G310 helixtrans-78-22.2176.1-61.477.314.400112.9T151 V155T151-Q153 PolarHBondContact O-N 3.46Å; T151-Q153 VanDerWaalsContact O-N 3.14Å; T151-Q153 PolarHBondContact OG1-OE1 2.8Å; Q153-V155 VanDerWaalsContact C-N 3.28Å
154S96.7Very high91.2Very high18 Ų1862.6 Ų62.613%0.12635%0.353CS..G310 helixtrans-90.310.2177.8720000113.5H147 Y150 T151H147-S154 PolarHBondContact N-O 3.34Å; H147-S154 VanDerWaalsContact O-CB 3.24Å; H147-S154 WeakPolarHBondContact O-CB 3.37Å; H147-S154 PolarHBondContact O-OG 3.03Å; Y150-S154 WeakPolarHBondContact CA-OG 3.48Å; Y150-S154 PolarHBondContact N-OG 3.12Å; T151-S154 PolarHBondContact N-OG 3.44Å; T151-S154 PolarHBondContact O-N 2.92Å; T151-S154 PolarHBondContact O-OG 2.96Å; T151-S154 PolarHBondContact OG1-N 2.8Å
155V97.8Very high90.6Very high7 Ų768.5 Ų68.54%0.04239%0.389CS..EExtended strand (participates in β ladder)trans-91.3122.3173.4-168.80000109.7V144 L145 V146 Q153 L171 V174 K175 V178V144-V155 HydrophobicContact CG1-CG1 3.51Å; L145-V155 CarbonylContact O-C 3.6Å; L145-V155 WeakPolarHBondContact O-CA 3.43Å; V146-V155 HydrophobicContact CG1-CG2 4.09Å; V146-V155 HydrophobicContact CG2-CG1 4.26Å; V146-V155 HydrophobicContact CG2-CG2 4.15Å; Q153-V155 VanDerWaalsContact C-N 3.28Å; V155-L171 HydrophobicContact CB-CD1 4.41Å; V155-L171 HydrophobicContact CG1-CD1 3.68Å; V155-V174 HydrophobicContact CG1-CB 4.14Å; V155-V174 HydrophobicContact CG1-CG1 3.7Å; V155-V174 HydrophobicContact CG2-CG1 4.4Å; V155-K175 HydrophobicContact CB-CG 3.75Å; V155-K175 HydrophobicContact CG1-CG 4.01Å; V155-K175 HydrophobicContact CG2-CG 4Å; V155-V178 HydrophobicContact CG2-CB 4.31Å; V155-V178 HydrophobicContact CG2-CG2 3.92Å
156Q96.4Very high90.1Very high104 Ų10473.8 Ų73.849%0.48641%0.413SS..EExtended strand (participates in β ladder)trans-140.5156.3179.762.5-177.8-20.500113.2V144 L145 H147V144-Q156 CarbonylContact C-O 3.55Å; V144-Q156 WeakPolarHBondContact CA-O 3.34Å; L145-Q156 HydrophobicContact CB-CG 4.48Å; L145-Q156 PolarHBondContact N-O 2.67Å; L145-Q156 PolarHBondContact O-N 3.26Å; H147-Q156 PolarHBondContact CD2-NE2 3.45Å; H147-Q156 PolarHBondContact NE2-NE2 2.84Å
157I96.1Very high89.8Confident53 Ų5373.9 Ų73.927%0.27241%0.413SS..EExtended strand (participates in β ladder)trans-69.6135.5170.3-65.7175000108C143 S159 H161 A167 L171C143-I157 CarbonylContact O-C 3.58Å; C143-I157 WeakPolarHBondContact O-CA 3.46Å; I157-S159 PolarHBondContact O-N 3.28Å; I157-H161 HydrophobicContact CG2-CB 4.38Å; I157-A167 HydrophobicContact CD1-CB 3.83Å; I157-A167 HydrophobicContact CG1-CB 4.09Å; I157-A167 HydrophobicContact CG2-CB 3.97Å; I157-L171 HydrophobicContact CD1-CD2 4.45Å; I157-L171 HydrophobicContact CG1-CB 4.29Å; I157-L171 HydrophobicContact CG1-CD1 4.15Å; I157-L171 HydrophobicContact CG1-CD2 4.24Å; I157-L171 HydrophobicContact CG1-CG 4.47Å
158K93.8Very high89.7Confident47 Ų4775.5 Ų75.520%0.20442%0.421CS..  trans-63.2125.3174.1-171.1177.4-175179.20108.8E139 C143 L145 T160 H161E139-K158 WeakPolarHBondContact OE1-CD 3.48Å; E139-K158 IonicContact OE1-NZ 3.74Å; E139-K158 PolarHBondContact OE1-NZ 3.48Å; E139-K158 IonicContact OE2-NZ 3.49Å; C143-K158 PolarHBondContact O-N 2.92Å; L145-K158 HydrophobicContact CD1-CB 4.24Å; L145-K158 HydrophobicContact CD1-CG 4.01Å; L145-K158 HydrophobicContact CG-CB 4.33Å; L145-K158 HydrophobicContact CG-CG 4.45Å; K158-T160 PolarHBondContact O-N 3.08Å; K158-H161 WeakPolarHBondContact O-CB 3.06Å; K158-H161 PolarHBondContact O-N 3.1Å
159S85.4Confident89.6Confident125 Ų12576.5 Ų76.587%0.87443%0.429SS*.THydrogen-bonded Turntrans-56-24.6-172.850.40000114.6I157I157-S159 PolarHBondContact O-N 3.28Å
160T82.2Confident89.6Confident104 Ų10472.6 Ų72.664%0.63840%0.404SS*.THydrogen-bonded Turntrans-88.21.4-17960.50000114.1K158K158-T160 PolarHBondContact O-N 3.08Å
161H78.1Confident89.6Confident58 Ų5872.6 Ų72.627%0.26941%0.405SS..  trans-87.3118-171.6-172.7-85.7000112.9C143 I157 K158 G163C143-H161 HydrophobicContact CB-CB 4.28Å; C143-H161 WeakPolarHBondContact CB-CD2 3.18Å; C143-H161 VanDerWaalsContact CB-NE2 3.34Å; C143-H161 WeakPolarHBondContact CB-NE2 3.35Å; I157-H161 HydrophobicContact CG2-CB 4.38Å; K158-H161 WeakPolarHBondContact O-CB 3.06Å; K158-H161 PolarHBondContact O-N 3.1Å; H161-G163 PolarHBondContact CE1-O 2.84Å; H161-G163 PolarHBondContact ND1-O 2.83Å; H161-G163 PolarHBondContact O-N 2.9Å
162E73.2Confident89.7Confident193 Ų19375.5 Ų75.590%0.90242%0.415SS*.  trans-89.7100.7172.6-63.3-176.9-176.200109.6
163G74.6Confident89.7Confident32 Ų3278.7 Ų78.733%0.3343%0.426SS..  trans152.478.3-179.800000112.7H161 T165 A167H161-G163 PolarHBondContact CE1-O 2.84Å; H161-G163 PolarHBondContact ND1-O 2.83Å; H161-G163 PolarHBondContact O-N 2.9Å; G163-T165 PolarHBondContact O-N 2.83Å; G163-A167 VanDerWaalsContact O-CB 3.23Å; G163-A167 WeakPolarHBondContact O-CB 3.38Å; G163-A167 PolarHBondContact O-N 2.85Å
164V76.7Confident89.8Confident117 Ų11770.8 Ų70.871%0.70939%0.39SS*.Hα-helixtrans-61.7-47.7-168.2-176.60000112.2Q168V164-Q168 VanDerWaalsContact O-CB 3.27Å; V164-Q168 WeakPolarHBondContact O-CB 3.38Å; V164-Q168 PolarHBondContact O-N 3Å
165T85.4Confident89.8Confident123 Ų12373 Ų7376%0.75540%0.397SS*.Hα-helixtrans-68.4-45.3-171.3-44.90000113G163 Q168 S169G163-T165 PolarHBondContact O-N 2.83Å; T165-Q168 PolarHBondContact O-N 3.01Å; T165-S169 PolarHBondContact O-N 3.1Å
166Q86.8Confident89.8Confident132 Ų13279.4 Ų79.462%0.61742%0.424SS*.Hα-helixtrans-69.1-41.6179.4-174.6178.78.900111.4Q168 S169 T170Q166-Q168 VanDerWaalsContact C-N 3.31Å; Q166-Q168 PolarHBondContact O-N 2.9Å; Q166-S169 PolarHBondContact O-N 2.82Å; Q166-T170 WeakPolarHBondContact O-CB 3.4Å; Q166-T170 PolarHBondContact O-N 2.83Å; Q166-T170 PolarHBondContact O-OG1 2.99Å
167A92.2Very high89.8Confident1 Ų175.2 Ų75.21%0.00841%0.405CS..Hα-helixtrans-62.2-39.9175.500000111.3C143 I157 G163 T170 L171C143-A167 HydrophobicContact CB-CB 4.28Å; I157-A167 HydrophobicContact CD1-CB 3.83Å; I157-A167 HydrophobicContact CG1-CB 4.09Å; I157-A167 HydrophobicContact CG2-CB 3.97Å; G163-A167 VanDerWaalsContact O-CB 3.23Å; G163-A167 WeakPolarHBondContact O-CB 3.38Å; G163-A167 PolarHBondContact O-N 2.85Å; A167-T170 PolarHBondContact O-N 2.84Å; A167-L171 VanDerWaalsContact O-CB 3.29Å; A167-L171 WeakPolarHBondContact O-CB 3.42Å; A167-L171 PolarHBondContact O-N 2.91Å
168Q94.7Very high89.8Confident80 Ų8072.7 Ų72.737%0.37439%0.392SS..Hα-helixtrans-67.6-44.2178-16665.131.200112.5V164 T165 Q166 T170 L171 E172V164-Q168 VanDerWaalsContact O-CB 3.27Å; V164-Q168 WeakPolarHBondContact O-CB 3.38Å; V164-Q168 PolarHBondContact O-N 3Å; T165-Q168 PolarHBondContact O-N 3.01Å; Q166-Q168 VanDerWaalsContact C-N 3.31Å; Q166-Q168 PolarHBondContact O-N 2.9Å; Q168-T170 VanDerWaalsContact C-N 3.29Å; Q168-T170 PolarHBondContact O-N 3.13Å; Q168-L171 WeakPolarHBondContact O-CB 3.42Å; Q168-L171 PolarHBondContact O-N 2.77Å; Q168-E172 PolarHBondContact NE2-OE1 3.22Å; Q168-E172 WeakPolarHBondContact O-CG 3.21Å; Q168-E172 PolarHBondContact O-N 2.78Å
169S93.7Very high89.8Confident82 Ų8272.8 Ų72.857%0.57340%0.399SS*.Hα-helixtrans-58.9-43.5174.3163.50000111.5T165 Q166 E172 H173T165-S169 PolarHBondContact O-N 3.1Å; Q166-S169 PolarHBondContact O-N 2.82Å; S169-E172 PolarHBondContact O-N 2.8Å; S169-H173 PolarHBondContact O-N 3.05Å; S169-H173 VanDerWaalsContact O-N 3.1Å
170T94.6Very high90.2Very high11 Ų1170.7 Ų70.77%0.06738%0.378CS..Hα-helixtrans-63.4-43.4176.5-57.70000111V140 F141 V144 Q166 A167 Q168 E172 H173 V174V140-T170 HydrophobicContact CG1-CG2 4.34Å; F141-T170 HydrophobicContact CB-CG2 4.43Å; F141-T170 HydrophobicContact CD2-CG2 3.65Å; F141-T170 HydrophobicContact CE2-CG2 4.47Å; V144-T170 HydrophobicContact CB-CG2 4.23Å; V144-T170 HydrophobicContact CG2-CG2 3.74Å; Q166-T170 WeakPolarHBondContact O-CB 3.4Å; Q166-T170 PolarHBondContact O-N 2.83Å; Q166-T170 PolarHBondContact O-OG1 2.99Å; A167-T170 PolarHBondContact O-N 2.84Å; Q168-T170 VanDerWaalsContact C-N 3.29Å; Q168-T170 PolarHBondContact O-N 3.13Å; T170-E172 PolarHBondContact O-N 3.07Å; T170-H173 PolarHBondContact O-N 3.21Å; T170-V174 HydrophobicContact CG2-CG2 4.13Å; T170-V174 WeakPolarHBondContact O-CB 3.3Å; T170-V174 VanDerWaalsContact O-CG2 3.29Å; T170-V174 WeakPolarHBondContact O-CG2 3.36Å; T170-V174 PolarHBondContact O-N 2.85Å
171L96.7Very high90.8Very high12 Ų1266 Ų666%0.06335%0.348CS..Hα-helixtrans-56.6-50.5178.4-175.378.3000111.2V144 V155 I157 A167 Q168 H173 V174 K175V144-L171 HydrophobicContact CG1-CD1 4.16Å; V144-L171 HydrophobicContact CG2-CB 4.12Å; V144-L171 HydrophobicContact CG2-CD1 4.23Å; V155-L171 HydrophobicContact CB-CD1 4.41Å; V155-L171 HydrophobicContact CG1-CD1 3.68Å; I157-L171 HydrophobicContact CD1-CD2 4.45Å; I157-L171 HydrophobicContact CG1-CB 4.29Å; I157-L171 HydrophobicContact CG1-CD1 4.15Å; I157-L171 HydrophobicContact CG1-CD2 4.24Å; I157-L171 HydrophobicContact CG1-CG 4.47Å; A167-L171 VanDerWaalsContact O-CB 3.29Å; A167-L171 WeakPolarHBondContact O-CB 3.42Å; A167-L171 PolarHBondContact O-N 2.91Å; Q168-L171 WeakPolarHBondContact O-CB 3.42Å; Q168-L171 PolarHBondContact O-N 2.77Å; L171-H173 VanDerWaalsContact C-N 3.33Å; L171-H173 PolarHBondContact O-N 3.35Å; L171-V174 PolarHBondContact O-N 2.82Å; L171-K175 HydrophobicContact CG-CD 4.34Å; L171-K175 WeakPolarHBondContact O-CB 3.43Å; L171-K175 WeakPolarHBondContact O-CG 3.48Å; L171-K175 PolarHBondContact O-N 3.04Å
172E96.7Very high91.3Very high99 Ų9964.9 Ų64.946%0.46335%0.346SS..Hα-helixtrans-63.5-40.1179.7-66.5-52.7142.900111.9Q168 S169 T170 K176Q168-E172 PolarHBondContact NE2-OE1 3.22Å; Q168-E172 WeakPolarHBondContact O-CG 3.21Å; Q168-E172 PolarHBondContact O-N 2.78Å; S169-E172 PolarHBondContact O-N 2.8Å; T170-E172 PolarHBondContact O-N 3.07Å; E172-K176 PolarHBondContact O-N 2.82Å
173H96.1Very high92.1Very high89 Ų8958.8 Ų58.841%0.41232%0.319SS..Hα-helixtrans-63.5-47.6176-175.5-159.9000111.8S169 T170 L171 K176 I177S169-H173 PolarHBondContact O-N 3.05Å; S169-H173 VanDerWaalsContact O-N 3.1Å; T170-H173 PolarHBondContact O-N 3.21Å; L171-H173 VanDerWaalsContact C-N 3.33Å; L171-H173 PolarHBondContact O-N 3.35Å; H173-K176 WeakPolarHBondContact O-CB 3.42Å; H173-K176 PolarHBondContact O-N 2.87Å; H173-I177 WeakPolarHBondContact O-CG1 3.17Å; H173-I177 PolarHBondContact O-N 2.68Å
174V97.4Very high92.6Very high0 Ų065.1 Ų65.10%034%0.338CS..Hα-helixtrans-63.6-43.7178.7174.80000110.5I128 V140 V144 V146 V155 T170 L171 K176 I177 V178I128-V174 HydrophobicContact CD1-CG2 4.43Å; V140-V174 HydrophobicContact CB-CG2 4.06Å; V140-V174 HydrophobicContact CG1-CG2 3.83Å; V140-V174 HydrophobicContact CG2-CG1 4.47Å; V140-V174 HydrophobicContact CG2-CG2 4.05Å; V144-V174 HydrophobicContact CG1-CB 4.16Å; V144-V174 HydrophobicContact CG1-CG1 4.12Å; V144-V174 HydrophobicContact CG1-CG2 4.21Å; V146-V174 HydrophobicContact CG2-CG1 3.56Å; V155-V174 HydrophobicContact CG1-CB 4.14Å; V155-V174 HydrophobicContact CG1-CG1 3.7Å; V155-V174 HydrophobicContact CG2-CG1 4.4Å; T170-V174 HydrophobicContact CG2-CG2 4.13Å; T170-V174 WeakPolarHBondContact O-CB 3.3Å; T170-V174 VanDerWaalsContact O-CG2 3.29Å; T170-V174 WeakPolarHBondContact O-CG2 3.36Å; T170-V174 PolarHBondContact O-N 2.85Å; L171-V174 PolarHBondContact O-N 2.82Å; V174-K176 VanDerWaalsContact C-N 3.27Å; V174-K176 PolarHBondContact O-N 2.83Å; V174-I177 PolarHBondContact O-N 2.98Å; V174-I177 VanDerWaalsContact O-N 3.09Å; V174-V178 HydrophobicContact CG1-CG2 4.15Å; V174-V178 VanDerWaalsContact O-CG2 3.29Å; V174-V178 WeakPolarHBondContact O-CG2 3.32Å; V174-V178 PolarHBondContact O-N 3.16Å
175K97.5Very high92.7Very high64 Ų6463.7 Ų63.728%0.27832%0.322SS..Hα-helixtrans-55.1-42.4174.1-79.9-179.8176.2175.60112.3V155 L171 V178 S179V155-K175 HydrophobicContact CB-CG 3.75Å; V155-K175 HydrophobicContact CG1-CG 4.01Å; V155-K175 HydrophobicContact CG2-CG 4Å; L171-K175 HydrophobicContact CG-CD 4.34Å; L171-K175 WeakPolarHBondContact O-CB 3.43Å; L171-K175 WeakPolarHBondContact O-CG 3.48Å; L171-K175 PolarHBondContact O-N 3.04Å; K175-V178 PolarHBondContact O-N 2.71Å; K175-S179 WeakPolarHBondContact O-CB 3.3Å; K175-S179 PolarHBondContact O-N 3.3Å
176K96.6Very high92Very high141 Ų14162.6 Ų62.661%0.61330%0.304SS*.Hα-helixtrans-63.4-43.4176.2-173.4176.1-177.9176.60112.1E172 H173 V174 N180E172-K176 PolarHBondContact O-N 2.82Å; H173-K176 WeakPolarHBondContact O-CB 3.42Å; H173-K176 PolarHBondContact O-N 2.87Å; V174-K176 VanDerWaalsContact C-N 3.27Å; V174-K176 PolarHBondContact O-N 2.83Å; K176-N180 WeakPolarHBondContact O-CB 3.49Å; K176-N180 PolarHBondContact O-N 2.73Å; K176-N180 PolarHBondContact O-ND2 3.29Å
177I96.3Very high90.6Very high16 Ų1663.8 Ų63.88%0.08230%0.303CS..Hα-helixtrans-61-47.2175.7-64.8166.8000110.3V123 I124 I128 H173 V174 N180 F181V123-I177 HydrophobicContact CG1-CG2 3.95Å; I124-I177 HydrophobicContact CG1-CG2 3.88Å; I128-I177 HydrophobicContact CD1-CD1 3.86Å; H173-I177 WeakPolarHBondContact O-CG1 3.17Å; H173-I177 PolarHBondContact O-N 2.68Å; V174-I177 PolarHBondContact O-N 2.98Å; V174-I177 VanDerWaalsContact O-N 3.09Å; I177-N180 PolarHBondContact O-N 3Å; I177-F181 WeakPolarHBondContact O-CB 3.19Å; I177-F181 PolarHBondContact O-N 2.94Å
178V96.4Very high88.8Confident0 Ų066 Ų660%033%0.326CS..Hα-helixtrans-64.5-43.8-179.2178.50000111.4L120 V146 Y150 V155 V174 K175 N180 F181 V182L120-V178 HydrophobicContact CD1-CG2 4.1Å; L120-V178 HydrophobicContact CD2-CG1 4.41Å; L120-V178 HydrophobicContact CD2-CG2 3.98Å; V146-V178 HydrophobicContact CG1-CG2 4.17Å; V146-V178 HydrophobicContact CG2-CG2 4.32Å; Y150-V178 WeakPolarHBondContact O-CG1 3.41Å; V155-V178 HydrophobicContact CG2-CB 4.31Å; V155-V178 HydrophobicContact CG2-CG2 3.92Å; V174-V178 HydrophobicContact CG1-CG2 4.15Å; V174-V178 VanDerWaalsContact O-CG2 3.29Å; V174-V178 WeakPolarHBondContact O-CG2 3.32Å; V174-V178 PolarHBondContact O-N 3.16Å; K175-V178 PolarHBondContact O-N 2.71Å; V178-N180 PolarHBondContact O-N 2.83Å; V178-F181 WeakPolarHBondContact O-CB 3.19Å; V178-F181 PolarHBondContact O-N 2.94Å; V178-V182 HydrophobicContact CG1-CG2 4.4Å; V178-V182 WeakPolarHBondContact O-CG2 3.32Å; V178-V182 PolarHBondContact O-N 3.05Å
179S95.4Very high86.8Confident50 Ų5067.8 Ų67.835%0.3533%0.333SS..Hα-helixtrans-59.7-47.2176-165.80000111.4K175 F181 V182 D183K175-S179 WeakPolarHBondContact O-CB 3.3Å; K175-S179 PolarHBondContact O-N 3.3Å; S179-F181 VanDerWaalsContact C-N 3.31Å; S179-F181 PolarHBondContact O-N 3.27Å; S179-V182 PolarHBondContact O-N 2.84Å; S179-V182 VanDerWaalsContact O-N 3.13Å; S179-D183 PolarHBondContact O-N 2.96Å
180N94Very high84.6Confident80 Ų8071.1 Ų71.143%0.42834%0.339SS..Hα-helixtrans-62.6-37.7177.6-72.2-25.9000112.6K176 I177 V178 K184K176-N180 WeakPolarHBondContact O-CB 3.49Å; K176-N180 PolarHBondContact O-N 2.73Å; K176-N180 PolarHBondContact O-ND2 3.29Å; I177-N180 PolarHBondContact O-N 3Å; V178-N180 PolarHBondContact O-N 2.83Å; N180-K184 WeakPolarHBondContact O-CB 3.44Å; N180-K184 VanDerWaalsContact O-CG 3.31Å; N180-K184 WeakPolarHBondContact O-CG 3.32Å; N180-K184 PolarHBondContact O-N 2.83Å; N180-K184 VanDerWaalsContact O-N 3.15Å
181F93.2Very high82.3Confident5 Ų576.4 Ų76.42%0.02237%0.372CS..Hα-helixtrans-61.6-48.5173.1169.1-101.6000110.2R119 L120 V123 I177 V178 S179 D183 K184 F185R119-F181 HydrophobicContact CB-CE2 3.81Å; R119-F181 HydrophobicContact CB-CZ 3.84Å; L120-F181 HydrophobicContact CB-CD1 4.16Å; L120-F181 HydrophobicContact CB-CE1 3.95Å; L120-F181 HydrophobicContact CB-CE2 4.45Å; L120-F181 HydrophobicContact CB-CG 4.49Å; L120-F181 HydrophobicContact CB-CZ 4.11Å; L120-F181 HydrophobicContact CD1-CB 3.85Å; L120-F181 HydrophobicContact CD1-CD1 3.83Å; L120-F181 HydrophobicContact CD1-CD2 4.34Å; L120-F181 HydrophobicContact CD1-CE1 4.49Å; L120-F181 HydrophobicContact CD1-CG 3.74Å; L120-F181 HydrophobicContact CG-CD1 4.44Å; V123-F181 HydrophobicContact CG2-CD2 3.99Å; V123-F181 HydrophobicContact CG2-CE2 4.45Å; I177-F181 WeakPolarHBondContact O-CB 3.19Å; I177-F181 PolarHBondContact O-N 2.94Å; V178-F181 WeakPolarHBondContact O-CB 3.19Å; V178-F181 PolarHBondContact O-N 2.94Å; S179-F181 VanDerWaalsContact C-N 3.31Å; S179-F181 PolarHBondContact O-N 3.27Å; F181-D183 PolarHBondContact O-N 2.79Å; F181-K184 PolarHBondContact O-N 3.37Å; F181-F185 AromaticContact CD2-CD2 3.22Å; F181-F185 HydrophobicContact CD2-CD2 3.22Å; F181-F185 AromaticContact CD2-CE2 3.54Å; F181-F185 HydrophobicContact CD2-CE2 3.54Å; F181-F185 HydrophobicContact CD2-CG 4.07Å; F181-F185 HydrophobicContact CE2-CB 4.21Å; F181-F185 HydrophobicContact CE2-CD1 4.39Å; F181-F185 AromaticContact CE2-CD2 3.29Å; F181-F185 HydrophobicContact CE2-CD2 3.29Å; F181-F185 AromaticContact CE2-CE2 3.62Å; F181-F185 HydrophobicContact CE2-CE2 3.62Å; F181-F185 AromaticContact CE2-CG 3.71Å; F181-F185 HydrophobicContact CE2-CG 3.71Å; F181-F185 HydrophobicContact CE2-CZ 4.3Å; F181-F185 HydrophobicContact CG-CD2 4.12Å; F181-F185 HydrophobicContact CZ-CB 4.35Å; F181-F185 HydrophobicContact CZ-CD2 4.23Å; F181-F185 HydrophobicContact CZ-CG 4.29Å; F181-F185 WeakPolarHBondContact O-CB 3.35Å; F181-F185 WeakPolarHBondContact O-CD2 3.43Å; F181-F185 PolarHBondContact O-N 3.43Å
182V90.3Very high79.8Confident36 Ų3679.7 Ų79.722%0.21840%0.4CS..Hα-helixtrans-61.7-48.2-177.6164.70000110.9V178 S179 K184 F185 W186V178-V182 HydrophobicContact CG1-CG2 4.4Å; V178-V182 WeakPolarHBondContact O-CG2 3.32Å; V178-V182 PolarHBondContact O-N 3.05Å; S179-V182 PolarHBondContact O-N 2.84Å; S179-V182 VanDerWaalsContact O-N 3.13Å; V182-K184 VanDerWaalsContact C-N 3.33Å; V182-K184 PolarHBondContact O-N 2.81Å; V182-F185 PolarHBondContact O-N 3.05Å; V182-W186 HydrophobicContact CG1-CG 4.38Å; V182-W186 VanDerWaalsContact O-CB 3.28Å; V182-W186 WeakPolarHBondContact O-CB 3.06Å; V182-W186 PolarHBondContact O-N 2.97Å
183D89Confident77Confident64 Ų6479.6 Ų79.634%0.34241%0.411SS..Hα-helixtrans-60.9-40.7179.4-77.3-45.8000112.5S179 F181 R187S179-D183 PolarHBondContact O-N 2.96Å; F181-D183 PolarHBondContact O-N 2.79Å; D183-R187 WeakPolarHBondContact O-CB 3.44Å; D183-R187 IonicContact OD1-CZ 3.88Å; D183-R187 IonicContact OD1-NE 3.32Å; D183-R187 PolarHBondContact OD1-NE 2.74Å; D183-R187 IonicContact OD1-NH2 3.18Å; D183-R187 PolarHBondContact OD1-NH2 2.71Å
184K86Confident74.4Confident165 Ų16580.6 Ų80.672%0.71743%0.425SS*.Hα-helixtrans-73.4-40.5-179.8-73179.5-179.2-176.90113.1N180 F181 V182N180-K184 WeakPolarHBondContact O-CB 3.44Å; N180-K184 VanDerWaalsContact O-CG 3.31Å; N180-K184 WeakPolarHBondContact O-CG 3.32Å; N180-K184 PolarHBondContact O-N 2.83Å; N180-K184 VanDerWaalsContact O-N 3.15Å; F181-K184 PolarHBondContact O-N 3.37Å; V182-K184 VanDerWaalsContact C-N 3.33Å; V182-K184 PolarHBondContact O-N 2.81Å
185F78.3Confident71.7Confident87 Ų8788.8 Ų88.838%0.38247%0.469SS..Hα-helixtrans-94.6-31.7-171.2-78.2-86.1000114V123 F181 V182V123-F185 HydrophobicContact CG2-CE2 4.44Å; F181-F185 AromaticContact CD2-CD2 3.22Å; F181-F185 HydrophobicContact CD2-CD2 3.22Å; F181-F185 AromaticContact CD2-CE2 3.54Å; F181-F185 HydrophobicContact CD2-CE2 3.54Å; F181-F185 HydrophobicContact CD2-CG 4.07Å; F181-F185 HydrophobicContact CE2-CB 4.21Å; F181-F185 HydrophobicContact CE2-CD1 4.39Å; F181-F185 AromaticContact CE2-CD2 3.29Å; F181-F185 HydrophobicContact CE2-CD2 3.29Å; F181-F185 AromaticContact CE2-CE2 3.62Å; F181-F185 HydrophobicContact CE2-CE2 3.62Å; F181-F185 AromaticContact CE2-CG 3.71Å; F181-F185 HydrophobicContact CE2-CG 3.71Å; F181-F185 HydrophobicContact CE2-CZ 4.3Å; F181-F185 HydrophobicContact CG-CD2 4.12Å; F181-F185 HydrophobicContact CZ-CB 4.35Å; F181-F185 HydrophobicContact CZ-CD2 4.23Å; F181-F185 HydrophobicContact CZ-CG 4.29Å; F181-F185 WeakPolarHBondContact O-CB 3.35Å; F181-F185 WeakPolarHBondContact O-CD2 3.43Å; F181-F185 PolarHBondContact O-N 3.43Å; V182-F185 PolarHBondContact O-N 3.05Å
186W69.8Low68.8Low101 Ų10194.3 Ų94.338%0.38350%0.496SS..Hα-helixtrans-85.3-43.5178.4-66.7103.6000112.6D116 V182 G188 K189 E190D116-W186 HydrophobicContact CB-CZ2 4.33Å; D116-W186 VanDerWaalsContact OD2-CH2 3.24Å; D116-W186 WeakPolarHBondContact OD2-CH2 3.41Å; D116-W186 VanDerWaalsContact OD2-CZ2 3.23Å; D116-W186 WeakPolarHBondContact OD2-CZ2 3.48Å; V182-W186 HydrophobicContact CG1-CG 4.38Å; V182-W186 VanDerWaalsContact O-CB 3.28Å; V182-W186 WeakPolarHBondContact O-CB 3.06Å; V182-W186 PolarHBondContact O-N 2.97Å; W186-G188 PolarHBondContact O-N 3.11Å; W186-K189 PolarHBondContact O-N 3.38Å; W186-E190 PolarHBondContact O-N 3.46Å
187R57.2Low66.1Low156 Ų15697.6 Ų97.659%0.58951%0.51SS*.Hα-helixtrans-66.9-26.9178.7-63.9-175.6-169.7-85.81.4113D183 K189 E190D183-R187 WeakPolarHBondContact O-CB 3.44Å; D183-R187 IonicContact OD1-CZ 3.88Å; D183-R187 IonicContact OD1-NE 3.32Å; D183-R187 PolarHBondContact OD1-NE 2.74Å; D183-R187 IonicContact OD1-NH2 3.18Å; D183-R187 PolarHBondContact OD1-NH2 2.71Å; R187-K189 PolarHBondContact O-N 3.1Å; R187-E190 PolarHBondContact O-N 2.98Å
188G55.6Low63.2Low48 Ų48100.4 Ų100.450%0.49554%0.542SS..Hα-helixtrans-67.1-18172.200000114.4W186 T191W186-G188 PolarHBondContact O-N 3.11Å; G188-T191 PolarHBondContact O-OG1 3Å
189K52Low60.2Low118 Ų118111.8 Ų111.851%0.51359%0.585SS.*Hα-helixtrans-89.2-31.6174.5-78.3-175.8176.9173.60112.9W186 R187 T191 A192W186-K189 PolarHBondContact O-N 3.38Å; R187-K189 PolarHBondContact O-N 3.1Å; K189-T191 VanDerWaalsContact C-N 3.3Å; K189-T191 PolarHBondContact O-N 3.26Å; K189-A192 PolarHBondContact O-N 2.88Å
190E48.1Very low57.3Low151 Ų151115 Ų11571%0.70661%0.606SS**Hα-helixtrans-69.8-26.1178.6-77.2-179.1151.500113.1W186 R187 A192W186-E190 PolarHBondContact O-N 3.46Å; R187-E190 PolarHBondContact O-N 2.98Å; E190-A192 PolarHBondContact O-N 2.69Å
191T45.6Very low54.6Low123 Ų123115.7 Ų115.776%0.75562%0.623SS**THydrogen-bonded Turntrans-77.91174.457.40000113.8G188 K189G188-T191 PolarHBondContact O-OG1 3Å; K189-T191 VanDerWaalsContact C-N 3.3Å; K189-T191 PolarHBondContact O-N 3.26Å
192A44.5Very low51.8Low80 Ų80120 Ų12066%0.66166%0.66SS**  trans-11053.1173.200000110.6K189 E190K189-A192 PolarHBondContact O-N 2.88Å; E190-A192 PolarHBondContact O-N 2.69Å
193S38.4Very low49.6Very low97 Ų97124.1 Ų124.168%0.67869%0.69SS**  trans-88130.2164.4-167.60000108.8D195S193-D195 PolarHBondContact O-N 2.69Å
194P41.4Very low47.2Very low111 Ų111126.6 Ų126.672%0.72171%0.712SS**  trans-73.3114.6177.530-29.1000107.9H196P194-H196 PolarHBondContact O-N 3.24Å
195D39.8Very low45.1Very low171 Ų171127.6 Ų127.691%0.91472%0.72SS**  trans-57.3101.3168.7-97.6-39.4000109.3S193S193-D195 PolarHBondContact O-N 2.69Å
196H37.2Very low43.1Very low181 Ų181130.2 Ų130.284%0.83874%0.742SS**  trans-97.892.3168.8-145.166.1000107.5P194P194-H196 PolarHBondContact O-N 3.24Å
197K39.7Very low42Very low210 Ų210134 Ų13491%0.91376%0.764SS**  trans-163.1114.9161.1-111.4173.4-173.2-179.60112.6
198G35.1Very low41.6Very low74 Ų74131.5 Ų131.576%0.76377%0.771SS**  trans124.682.4156.300000115.1
199R33.6Very low41.5Very low240 Ų240135.7 Ų135.791%0.90679%0.787SS**  74.2114.698.8-149.4-179.5-168.9-176.71.9112.4
200C35.1Very low41.5Very low116 Ų116135.5 Ų135.578%0.78480%0.798SS**  -162.5125.774.6-770000109.2
201A38Very low41.4Very low96 Ų96138 Ų13879%0.79381%0.806SS**  68.5105.589.500000115.9
202A34.3Very low42Very low96 Ų96139.5 Ų139.579%0.79381%0.81SS**  trans59.1116.6145.900000120.4
203S43.5Very low42.1Very low122 Ų122143 Ų14385%0.85385%0.853SS**  -167.5129.697.8-75.60000111.1
204S38.9Very low42.3Very low115 Ų115145.3 Ų145.380%0.80486%0.862SS**  trans-73.8130.416843.80000110.3
205E40.8Very low42.3Very low186 Ų186147.1 Ų147.187%0.86987%0.869SS**  trans-149.7113.1149.1-117.6173.3164.800110.3
206V37.6Very low42.5Very low142 Ų142145.7 Ų145.786%0.86187%0.867SS**  trans-81.3120.4169.3171.80000106.2
207Q46.4Very low42.8Very low180 Ų180143.6 Ų143.684%0.84187%0.869SS**  trans-128.3120.5161.4-113.4177.311.900111.4
208S47.8Very low43Very low104 Ų104139.5 Ų139.573%0.72787%0.866SS**PPolyproline II helixtrans-58.8138179.246.50000113.5
209T53.2Low43.5Very low136 Ų136143.9 Ų143.983%0.83487%0.873SS**PPolyproline II helixtrans-75.4135.5159.241.20000110.4
210P52Low44.2Very low114 Ų114137 Ų13774%0.7487%0.87SS**PPolyproline II helixtrans-96.6129.7156.531.2-21.5000109.8
211K47.1Very low44.9Very low204 Ų204138.6 Ų138.689%0.88788%0.877SS**PPolyproline II helixtrans-70.3123.3155.5-76.9-178.6172.4-177.90108
212N56.9Low45.5Very low155 Ų155142.2 Ų142.283%0.82988%0.884SS**  trans-116.5132.7145.6-75.6-18.8000104.8
213G47.4Very low46.5Very low152 Ų152146.4 Ų146.4100%1.56789%0.892SS**  cis93.4043.700000106.3

Retrieved 213 of 213 residues in 265.8 ms (Link to these results)

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