A0A077YVW2_TRITR Loading...

Pkinase domain containing protein

AlphaFold DB , UniProt , Accession A0A077YVW2, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 114 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
1M89Confident94.7Very high162 Ų16290.7 Ų90.780%0.79846%0.463SS*.  0127.20-177.6-172.6-73.500108.5L50 I51 L52M1-L50 HydrophobicContact SD-CD2 4.28Å; M1-I51 CarbonylContact C-O 3.49Å; M1-I51 WeakPolarHBondContact CA-O 3.45Å; M1-L52 HydrophobicContact CB-CD1 4.45Å
2K92.8Very high94.9Very high97 Ų9783.3 Ų83.342%0.42243%0.426SS..EExtended strand (participates in β ladder)trans-107.9133.7175.7-175.8-179.7177-171.80108.3L4 E18 I51K2-L4 HydrophobicContact CD-CD1 4.44Å; K2-L4 HydrophobicContact CG-CD2 4.46Å; K2-L4 HydrophobicContact CG-CG 4.28Å; K2-E18 IonicContact NZ-OE1 3.89Å; K2-E18 PolarHBondContact NZ-OE1 3.25Å; K2-I51 HydrophobicContact CB-CB 4.35Å; K2-I51 PolarHBondContact N-O 3.5Å; K2-I51 PolarHBondContact O-N 2.93Å
3R95.7Very high95Very high155 Ų15581.1 Ų81.159%0.58542%0.415SS*.EExtended strand (participates in β ladder)trans-113.2127178179.6-173.9179.4-163.77.1108.6E48 F49 L50R3-E48 IonicContact CZ-OE1 3.1Å; R3-E48 IonicContact NE-OE1 2.85Å; R3-E48 PolarHBondContact NE-OE1 3.41Å; R3-E48 IonicContact NH2-OE1 2.75Å; R3-E48 PolarHBondContact NH2-OE1 3.46Å; R3-F49 WeakPolarHBondContact CA-O 3.28Å; R3-L50 HydrophobicContact CB-CD2 4.1Å; R3-L50 HydrophobicContact CG-CD2 3.97Å
4L96.4Very high95.1Very high41 Ų4179 Ų7922%0.21542%0.416CS..EExtended strand (participates in β ladder)trans-129.2147.2179.2-63.7173.4000110.1K2 I15 E48 F49 I51K2-L4 HydrophobicContact CD-CD1 4.44Å; K2-L4 HydrophobicContact CG-CD2 4.46Å; K2-L4 HydrophobicContact CG-CG 4.28Å; L4-I15 HydrophobicContact CB-CD1 3.93Å; L4-I15 HydrophobicContact CD1-CD1 4.36Å; L4-I15 HydrophobicContact CD1-CG1 4.17Å; L4-I15 HydrophobicContact CD1-CG2 3.87Å; L4-E48 WeakPolarHBondContact O-CA 3.47Å; L4-F49 HydrophobicContact CB-CB 4.33Å; L4-F49 PolarHBondContact N-O 2.8Å; L4-F49 PolarHBondContact O-N 3.3Å; L4-I51 HydrophobicContact CD1-CD1 3.89Å
5I96Very high95.2Very high75 Ų7575.1 Ų75.139%0.38540%0.396SS..EExtended strand (participates in β ladder)trans-129.5122.6179.4-58.1176.4000108.1R46 T47I5-R46 HydrophobicContact CG2-CB 3.86Å; I5-R46 HydrophobicContact CG2-CG 4.4Å; I5-T47 CarbonylContact C-O 3.59Å; I5-T47 WeakPolarHBondContact CA-O 3.1Å
6A96.6Very high95.3Very high2 Ų276.6 Ų76.62%0.01739%0.394CS..EExtended strand (participates in β ladder)trans-96.9129.3173.200000110.4A12 I15 R46 T47 F49A6-A12 HydrophobicContact CB-CB 3.69Å; A6-I15 HydrophobicContact CB-CD1 4.1Å; A6-R46 CarbonylContact O-C 3.47Å; A6-R46 VanDerWaalsContact O-CA 3.29Å; A6-R46 WeakPolarHBondContact O-CA 3.42Å; A6-R46 VanDerWaalsContact O-CB 3.3Å; A6-R46 WeakPolarHBondContact O-CB 3.41Å; A6-T47 PolarHBondContact N-O 2.96Å; A6-T47 PolarHBondContact O-N 3.32Å; A6-F49 HydrophobicContact CB-CE2 4.14Å
7G95.1Very high95.3Very high53 Ų5381.3 Ų81.355%0.54641%0.406SS..SBendtrans-83.4-17.6175.700000114.2
8D95Very high95.1Very high82 Ų8281.8 Ų81.844%0.43941%0.407SS..SBendtrans-148.5171.8-173.958.667.7000110.6D10 S11 A12D8-D10 PolarHBondContact OD1-N 3.36Å; D8-D10 VanDerWaalsContact OD1-N 3.09Å; D8-S11 VanDerWaalsContact OD1-CB 3.3Å; D8-S11 WeakPolarHBondContact OD1-CB 3.47Å; D8-S11 PolarHBondContact OD1-N 2.99Å; D8-S11 PolarHBondContact OD1-OG 2.85Å; D8-S11 PolarHBondContact OD2-OG 2.82Å; D8-S11 VanDerWaalsContact OD2-OG 3.11Å; D8-A12 WeakPolarHBondContact O-CB 3.38Å; D8-A12 PolarHBondContact O-N 3.37Å; D8-A12 VanDerWaalsContact O-N 3.09Å
9K93.2Very high95.2Very high155 Ų15578.6 Ų78.667%0.67439%0.391SS*.Hα-helixtrans-65.6-38.7-176.9-174.5179.2175.7-175.20112.6A12 D13K9-A12 WeakPolarHBondContact O-CB 3.42Å; K9-A12 PolarHBondContact O-N 3.42Å; K9-D13 WeakPolarHBondContact O-CB 3.46Å; K9-D13 PolarHBondContact O-N 2.65Å
10D96.2Very high95.2Very high129 Ų12981 Ų8169%0.6940%0.399SS*.Hα-helixtrans-68.3-43.1-175.7-65.3-26.4000110.9D8 A12 D13 A14D8-D10 PolarHBondContact OD1-N 3.36Å; D8-D10 VanDerWaalsContact OD1-N 3.09Å; D10-A12 VanDerWaalsContact C-N 3.33Å; D10-A12 PolarHBondContact O-N 3.1Å; D10-D13 PolarHBondContact O-N 2.72Å; D10-A14 WeakPolarHBondContact O-CB 3.49Å; D10-A14 PolarHBondContact O-N 3.49Å
11S96.3Very high95.3Very high47 Ų4780.4 Ų80.433%0.32940%0.397SS..Hα-helixtrans-60.7-42.4171.7-62.50000111.4D8 A14 I15D8-S11 VanDerWaalsContact OD1-CB 3.3Å; D8-S11 WeakPolarHBondContact OD1-CB 3.47Å; D8-S11 PolarHBondContact OD1-N 2.99Å; D8-S11 PolarHBondContact OD1-OG 2.85Å; D8-S11 PolarHBondContact OD2-OG 2.82Å; D8-S11 VanDerWaalsContact OD2-OG 3.11Å; S11-A14 PolarHBondContact O-N 3.42Å; S11-I15 WeakPolarHBondContact O-CG1 3.4Å; S11-I15 PolarHBondContact O-N 3.45Å
12A96.5Very high95.6Very high1 Ų174.3 Ų74.31%0.00837%0.368CS..Hα-helixtrans-64.6-41.3177.300000111.6A6 D8 K9 D10 I15 R16 F49A6-A12 HydrophobicContact CB-CB 3.69Å; D8-A12 WeakPolarHBondContact O-CB 3.38Å; D8-A12 PolarHBondContact O-N 3.37Å; D8-A12 VanDerWaalsContact O-N 3.09Å; K9-A12 WeakPolarHBondContact O-CB 3.42Å; K9-A12 PolarHBondContact O-N 3.42Å; D10-A12 VanDerWaalsContact C-N 3.33Å; D10-A12 PolarHBondContact O-N 3.1Å; A12-I15 PolarHBondContact O-N 2.9Å; A12-R16 WeakPolarHBondContact O-CG 3.45Å; A12-R16 PolarHBondContact O-N 2.85Å; A12-F49 HydrophobicContact CB-CE2 4.11Å; A12-F49 HydrophobicContact CB-CZ 4.03Å
13D96.8Very high95.7Very high55 Ų5575.6 Ų75.629%0.29437%0.373SS..Hα-helixtrans-70.2-32.9178-71.8-17.6000112.2K9 D10 R16 R17K9-D13 WeakPolarHBondContact O-CB 3.46Å; K9-D13 PolarHBondContact O-N 2.65Å; D10-D13 PolarHBondContact O-N 2.72Å; D13-R16 IonicContact OD1-CZ 2.75Å; D13-R16 IonicContact OD1-NH1 2.62Å; D13-R16 PolarHBondContact OD1-NH1 3.42Å; D13-R17 WeakPolarHBondContact O-CB 3.5Å; D13-R17 PolarHBondContact O-N 3.33Å
14A95.9Very high95.8Very high52 Ų5272.4 Ų72.443%0.4337%0.365SS..Hα-helixtrans-62.8-46.5170.500000111.7D10 S11 R17 E18D10-A14 WeakPolarHBondContact O-CB 3.49Å; D10-A14 PolarHBondContact O-N 3.49Å; S11-A14 PolarHBondContact O-N 3.42Å; A14-R17 WeakPolarHBondContact O-CB 3.42Å; A14-R17 PolarHBondContact O-N 3.18Å; A14-E18 PolarHBondContact O-N 3.37Å
15I96.3Very high95.8Very high20 Ų2070.7 Ų70.710%0.10336%0.356CS..Hα-helixtrans-64.8-43.4177.4-65.6165.7000111.1L4 A6 S11 A12 R17 E18 I19 F49L4-I15 HydrophobicContact CB-CD1 3.93Å; L4-I15 HydrophobicContact CD1-CD1 4.36Å; L4-I15 HydrophobicContact CD1-CG1 4.17Å; L4-I15 HydrophobicContact CD1-CG2 3.87Å; A6-I15 HydrophobicContact CB-CD1 4.1Å; S11-I15 WeakPolarHBondContact O-CG1 3.4Å; S11-I15 PolarHBondContact O-N 3.45Å; A12-I15 PolarHBondContact O-N 2.9Å; I15-R17 PolarHBondContact O-N 2.86Å; I15-E18 PolarHBondContact O-N 2.92Å; I15-E18 VanDerWaalsContact O-N 3.15Å; I15-I19 HydrophobicContact CG2-CD1 3.83Å; I15-I19 HydrophobicContact CG2-CG1 4.35Å; I15-I19 WeakPolarHBondContact O-CG1 3.42Å; I15-I19 PolarHBondContact O-N 3.48Å; I15-F49 HydrophobicContact CB-CD2 4.29Å; I15-F49 HydrophobicContact CB-CE2 4.24Å; I15-F49 HydrophobicContact CB-CZ 4.44Å; I15-F49 HydrophobicContact CD1-CD2 3.96Å; I15-F49 HydrophobicContact CD1-CE2 4.13Å; I15-F49 HydrophobicContact CG2-CB 3.99Å; I15-F49 HydrophobicContact CG2-CD1 3.83Å; I15-F49 HydrophobicContact CG2-CD2 3.78Å; I15-F49 HydrophobicContact CG2-CE1 4.22Å; I15-F49 HydrophobicContact CG2-CE2 4.16Å; I15-F49 HydrophobicContact CG2-CG 3.59Å; I15-F49 HydrophobicContact CG2-CZ 4.36Å
16R96.5Very high95.8Very high99 Ų9968.1 Ų68.137%0.37435%0.345SS..Hα-helixtrans-57.6-40.6175.1-74.7179.2-169.3104.69.1111.7A12 D13 I19 F20 F49A12-R16 WeakPolarHBondContact O-CG 3.45Å; A12-R16 PolarHBondContact O-N 2.85Å; D13-R16 IonicContact OD1-CZ 2.75Å; D13-R16 IonicContact OD1-NH1 2.62Å; D13-R16 PolarHBondContact OD1-NH1 3.42Å; R16-I19 PolarHBondContact O-N 3.13Å; R16-F20 WeakPolarHBondContact O-CB 3.35Å; R16-F20 PolarHBondContact O-N 3.44Å; R16-F49 HydrophobicContact CG-CE1 3.7Å; R16-F49 HydrophobicContact CG-CZ 4.03Å
17R95.4Very high95.7Very high157 Ų15770.9 Ų70.959%0.59237%0.374SS*.Hα-helixtrans-66.5-41.5176.3-171.5178.4-71101.2-3.6112D13 A14 I15 F20 I21D13-R17 WeakPolarHBondContact O-CB 3.5Å; D13-R17 PolarHBondContact O-N 3.33Å; A14-R17 WeakPolarHBondContact O-CB 3.42Å; A14-R17 PolarHBondContact O-N 3.18Å; I15-R17 PolarHBondContact O-N 2.86Å; R17-F20 PolarHBondContact O-N 3.49Å; R17-I21 HydrophobicContact CG-CD1 4.09Å; R17-I21 WeakPolarHBondContact O-CG1 3.5Å; R17-I21 PolarHBondContact O-N 3.05Å
18E93.3Very high95.8Very high90 Ų9070.3 Ų70.342%0.42136%0.357SS..Hα-helixtrans-60.1-46173.9-174.7-176151.900111.2K2 A14 I15 F20 I21 L22K2-E18 IonicContact NZ-OE1 3.89Å; K2-E18 PolarHBondContact NZ-OE1 3.25Å; A14-E18 PolarHBondContact O-N 3.37Å; I15-E18 PolarHBondContact O-N 2.92Å; I15-E18 VanDerWaalsContact O-N 3.15Å; E18-F20 PolarHBondContact O-N 3.38Å; E18-I21 PolarHBondContact O-N 3.34Å; E18-L22 WeakPolarHBondContact O-CB 3.46Å; E18-L22 PolarHBondContact O-N 3.43Å
19I96.3Very high95.8Very high22 Ų2272 Ų7211%0.11337%0.372CS..Hα-helixtrans-61.7-43.9177.2-67.3167.6000111I15 R16 L22 K23 F34 A37 F49 I51I15-I19 HydrophobicContact CG2-CD1 3.83Å; I15-I19 HydrophobicContact CG2-CG1 4.35Å; I15-I19 WeakPolarHBondContact O-CG1 3.42Å; I15-I19 PolarHBondContact O-N 3.48Å; R16-I19 PolarHBondContact O-N 3.13Å; I19-L22 PolarHBondContact O-N 2.89Å; I19-K23 WeakPolarHBondContact O-CB 3.42Å; I19-K23 PolarHBondContact O-N 3.12Å; I19-F34 HydrophobicContact CG2-CE2 4.17Å; I19-F34 HydrophobicContact CG2-CZ 4.36Å; I19-A37 HydrophobicContact CD1-CB 4.18Å; I19-A37 HydrophobicContact CG2-CB 3.65Å; I19-F49 HydrophobicContact CD1-CB 4.41Å; I19-F49 HydrophobicContact CD1-CD1 3.75Å; I19-F49 HydrophobicContact CD1-CE1 4.49Å; I19-F49 HydrophobicContact CD1-CG 4.42Å; I19-I51 HydrophobicContact CD1-CD1 3.96Å; I19-I51 HydrophobicContact CD1-CG1 3.89Å; I19-I51 HydrophobicContact CG1-CD1 3.65Å; I19-I51 HydrophobicContact CG1-CG1 3.89Å
20F95.9Very high95.9Very high125 Ų12567.3 Ų67.355%0.54836%0.355SS..Hα-helixtrans-60.2-49.2176.9178.4-96.6000111.2R16 R17 E18 L22 K23 E24R16-F20 WeakPolarHBondContact O-CB 3.35Å; R16-F20 PolarHBondContact O-N 3.44Å; R17-F20 PolarHBondContact O-N 3.49Å; E18-F20 PolarHBondContact O-N 3.38Å; F20-L22 VanDerWaalsContact C-N 3.34Å; F20-L22 PolarHBondContact O-N 3.06Å; F20-K23 WeakPolarHBondContact O-CB 3.37Å; F20-K23 PolarHBondContact O-N 2.98Å; F20-E24 HydrophobicContact CD1-CG 4.2Å; F20-E24 HydrophobicContact CE1-CG 3.73Å; F20-E24 HydrophobicContact CE2-CG 4.11Å; F20-E24 HydrophobicContact CZ-CG 3.68Å; F20-E24 WeakPolarHBondContact O-CG 3.45Å; F20-E24 PolarHBondContact O-N 3.32Å
21I95.6Very high95.8Very high69 Ų6962.1 Ų62.135%0.35433%0.327SS..Hα-helixtrans-60.7-44.4177.8-69.6166.5000111R17 E18 K23 E24 A25 I98R17-I21 HydrophobicContact CG-CD1 4.09Å; R17-I21 WeakPolarHBondContact O-CG1 3.5Å; R17-I21 PolarHBondContact O-N 3.05Å; E18-I21 PolarHBondContact O-N 3.34Å; I21-K23 VanDerWaalsContact C-N 3.3Å; I21-K23 PolarHBondContact O-N 2.68Å; I21-E24 PolarHBondContact O-N 3.03Å; I21-A25 WeakPolarHBondContact O-CB 3.31Å; I21-A25 PolarHBondContact O-N 3.28Å; I21-I98 HydrophobicContact CG2-CD1 4.49Å; I21-I98 HydrophobicContact CG2-CG2 3.78Å
22L95.5Very high95.7Very high35 Ų3563 Ų6318%0.18333%0.328CS..Hα-helixtrans-61-40.2177.9178.361.6000111.7E18 I19 F20 S26 L32 F34 I51 T53E18-L22 WeakPolarHBondContact O-CB 3.46Å; E18-L22 PolarHBondContact O-N 3.43Å; I19-L22 PolarHBondContact O-N 2.89Å; F20-L22 VanDerWaalsContact C-N 3.34Å; F20-L22 PolarHBondContact O-N 3.06Å; L22-S26 WeakPolarHBondContact O-CB 3.47Å; L22-S26 PolarHBondContact O-N 3.47Å; L22-S26 VanDerWaalsContact O-N 3.13Å; L22-L32 HydrophobicContact CD1-CB 4.29Å; L22-L32 HydrophobicContact CD1-CD2 4.28Å; L22-F34 HydrophobicContact CD2-CD2 4.02Å; L22-F34 HydrophobicContact CG-CB 4.25Å; L22-F34 HydrophobicContact CG-CD2 4.14Å; L22-I51 HydrophobicContact CD2-CG2 4.07Å; L22-T53 HydrophobicContact CD2-CG2 4.04Å
23K96.4Very high95.7Very high123 Ų12366.8 Ų66.854%0.53535%0.346SS..Hα-helixtrans-64.4-48.6176.2-179.5-177.9175.5-173.20111.6I19 F20 I21 S26 F34I19-K23 WeakPolarHBondContact O-CB 3.42Å; I19-K23 PolarHBondContact O-N 3.12Å; F20-K23 WeakPolarHBondContact O-CB 3.37Å; F20-K23 PolarHBondContact O-N 2.98Å; I21-K23 VanDerWaalsContact C-N 3.3Å; I21-K23 PolarHBondContact O-N 2.68Å; K23-S26 VanDerWaalsContact O-CB 3.28Å; K23-S26 WeakPolarHBondContact O-CB 3.29Å; K23-S26 PolarHBondContact O-N 2.86Å; K23-F34 HydrophobicContact CB-CD1 3.92Å; K23-F34 HydrophobicContact CB-CE1 4.06Å; K23-F34 HydrophobicContact CB-CG 4.25Å; K23-F34 HydrophobicContact CD-CE1 4.14Å; K23-F34 HydrophobicContact CG-CD1 3.85Å; K23-F34 HydrophobicContact CG-CE1 3.93Å
24E96.5Very high95.7Very high88 Ų8865.4 Ų65.441%0.41134%0.337SS..Hα-helixtrans-63.5-43.9179.2-66.4-60.5109.900111.2F20 I21 S26 H94 I98F20-E24 HydrophobicContact CD1-CG 4.2Å; F20-E24 HydrophobicContact CE1-CG 3.73Å; F20-E24 HydrophobicContact CE2-CG 4.11Å; F20-E24 HydrophobicContact CZ-CG 3.68Å; F20-E24 WeakPolarHBondContact O-CG 3.45Å; F20-E24 PolarHBondContact O-N 3.32Å; I21-E24 PolarHBondContact O-N 3.03Å; E24-S26 PolarHBondContact O-N 3.42Å; E24-H94 PolarHBondContact O-NE2 2.81Å; E24-I98 HydrophobicContact CB-CD1 4.11Å
25A96Very high95.7Very high5 Ų566.3 Ų66.34%0.04134%0.34CS..Hα-helixtrans-67.5-18.9179.600000114I21 V31 H90 L91 I98I21-A25 WeakPolarHBondContact O-CB 3.31Å; I21-A25 PolarHBondContact O-N 3.28Å; A25-V31 HydrophobicContact CB-CG1 4.06Å; A25-V31 WeakPolarHBondContact O-CG1 3.2Å; A25-H90 PolarHBondContact O-CD2 2.86Å; A25-H90 PolarHBondContact O-NE2 3.5Å; A25-L91 HydrophobicContact CB-CD2 3.42Å; A25-L91 VanDerWaalsContact CB-CD2 3.42Å; A25-I98 HydrophobicContact CB-CD1 4.34Å
26S96.3Very high95.8Very high22 Ų2271.6 Ų71.615%0.15436%0.364CS..  trans-64.4156.6-177.5-164.20000112.5L22 K23 E24 Q33 F34L22-S26 WeakPolarHBondContact O-CB 3.47Å; L22-S26 PolarHBondContact O-N 3.47Å; L22-S26 VanDerWaalsContact O-N 3.13Å; K23-S26 VanDerWaalsContact O-CB 3.28Å; K23-S26 WeakPolarHBondContact O-CB 3.29Å; K23-S26 PolarHBondContact O-N 2.86Å; E24-S26 PolarHBondContact O-N 3.42Å; S26-Q33 WeakPolarHBondContact OG-CA 3.24Å; S26-Q33 PolarHBondContact OG-NE2 3.12Å; S26-Q33 PolarHBondContact OG-OE1 3.36Å; S26-Q33 VanDerWaalsContact OG-OE1 3.12Å; S26-F34 PolarHBondContact OG-N 3.02Å
27G94.5Very high95.8Very high59 Ų5968.4 Ų68.461%0.60836%0.359SS*.SBendtrans103.76.6175.600000115.2Q33G27-Q33 VanDerWaalsContact N-OE1 3.15Å
28H96.7Very high95.9Very high42 Ų4263.5 Ų63.519%0.19435%0.352CS..SBendtrans-113.3138.2172.4-175.7-88.4000110.4N30 V31 H90H28-N30 PolarHBondContact CE1-OD1 3.22Å; H28-N30 VanDerWaalsContact CE1-OD1 3.28Å; H28-N30 PolarHBondContact ND1-N 2.86Å; H28-N30 VanDerWaalsContact ND1-N 3.12Å; H28-N30 PolarHBondContact O-N 2.77Å; H28-V31 HydrophobicContact CB-CB 4.25Å; H28-V31 HydrophobicContact CB-CG2 4.13Å; H28-V31 PolarHBondContact O-N 2.95Å; H28-V31 VanDerWaalsContact O-O 3.05Å; H28-H90 HydrophobicContact CB-CB 4.2Å; H28-H90 AromaticContact CD2-CG 3.93Å; H28-H90 AromaticContact CG-CG 3.79Å
29P95.8Very high96Very high118 Ų11863 Ų6377%0.76636%0.357SS*.THydrogen-bonded Turntrans-62.4-16.9-174.624.3-36.4000115.2
30N94.4Very high95.9Very high56 Ų5668.4 Ų68.430%0.29938%0.382SS..THydrogen-bonded Turntrans-106.812.8176.1-52116.5000113.7H28 Q83 A87H28-N30 PolarHBondContact CE1-OD1 3.22Å; H28-N30 VanDerWaalsContact CE1-OD1 3.28Å; H28-N30 PolarHBondContact ND1-N 2.86Å; H28-N30 VanDerWaalsContact ND1-N 3.12Å; H28-N30 PolarHBondContact O-N 2.77Å; N30-Q83 HydrophobicContact CB-CB 4.41Å; N30-Q83 WeakPolarHBondContact CB-O 3.35Å; N30-Q83 WeakPolarHBondContact ND2-CG 3.4Å; N30-A87 HydrophobicContact CB-CB 3.92Å; N30-A87 VanDerWaalsContact O-CB 3.31Å; N30-A87 WeakPolarHBondContact O-CB 3.47Å
31V94.7Very high95.9Very high19 Ų1968.6 Ų68.612%0.11538%0.384CS..SBendtrans-122.1139.7174.1178.40000108.9A25 H28 Q33 A87A25-V31 HydrophobicContact CB-CG1 4.06Å; A25-V31 WeakPolarHBondContact O-CG1 3.2Å; H28-V31 HydrophobicContact CB-CB 4.25Å; H28-V31 HydrophobicContact CB-CG2 4.13Å; H28-V31 PolarHBondContact O-N 2.95Å; H28-V31 VanDerWaalsContact O-O 3.05Å; V31-Q33 PolarHBondContact O-N 3.35Å; V31-Q33 VanDerWaalsContact O-N 3.13Å; V31-A87 HydrophobicContact CG2-CB 3.83Å
32L93.9Very high95.8Very high67 Ų6767.1 Ų67.135%0.35138%0.376SS..PPolyproline II helixtrans-55.5119.1-179.2-176.569.9000110.9L22 F34 T53 E54 C56L22-L32 HydrophobicContact CD1-CB 4.29Å; L22-L32 HydrophobicContact CD1-CD2 4.28Å; L32-F34 PolarHBondContact O-N 3.33Å; L32-T53 HydrophobicContact CD2-CG2 3.83Å; L32-T53 HydrophobicContact CG-CG2 4.21Å; L32-E54 WeakPolarHBondContact CA-OE1 3.34Å; L32-E54 HydrophobicContact CD1-CG 3.58Å; L32-C56 VanDerWaalsContact CD1-SG 3.57Å
33Q96.4Very high95.6Very high79 Ų7972.4 Ų72.437%0.36941%0.412SS..PPolyproline II helixtrans-71.2119.9-179.9-178.76437.800110.6S26 G27 V31 T53 E54S26-Q33 WeakPolarHBondContact OG-CA 3.24Å; S26-Q33 PolarHBondContact OG-NE2 3.12Å; S26-Q33 PolarHBondContact OG-OE1 3.36Å; S26-Q33 VanDerWaalsContact OG-OE1 3.12Å; G27-Q33 VanDerWaalsContact N-OE1 3.15Å; V31-Q33 PolarHBondContact O-N 3.35Å; V31-Q33 VanDerWaalsContact O-N 3.13Å; Q33-T53 CarbonylContact O-C 3.59Å; Q33-T53 WeakPolarHBondContact O-CA 3.33Å; Q33-T53 WeakPolarHBondContact O-CB 3.15Å; Q33-E54 HydrophobicContact CB-CB 4.1Å; Q33-E54 HydrophobicContact CB-CG 4.03Å; Q33-E54 PolarHBondContact N-OE1 3.21Å; Q33-E54 PolarHBondContact O-N 3.03Å
34F97.3Very high95.3Very high26 Ų2671.1 Ų71.111%0.11441%0.412CS..EExtended strand (participates in β ladder)trans-77.1137.7169.9179.8-102.8000110.6I19 L22 K23 S26 L32 A37 I51I19-F34 HydrophobicContact CG2-CE2 4.17Å; I19-F34 HydrophobicContact CG2-CZ 4.36Å; L22-F34 HydrophobicContact CD2-CD2 4.02Å; L22-F34 HydrophobicContact CG-CB 4.25Å; L22-F34 HydrophobicContact CG-CD2 4.14Å; K23-F34 HydrophobicContact CB-CD1 3.92Å; K23-F34 HydrophobicContact CB-CE1 4.06Å; K23-F34 HydrophobicContact CB-CG 4.25Å; K23-F34 HydrophobicContact CD-CE1 4.14Å; K23-F34 HydrophobicContact CG-CD1 3.85Å; K23-F34 HydrophobicContact CG-CE1 3.93Å; S26-F34 PolarHBondContact OG-N 3.02Å; L32-F34 PolarHBondContact O-N 3.33Å; F34-A37 HydrophobicContact CE2-CB 3.9Å; F34-A37 HydrophobicContact CZ-CB 3.86Å; F34-I51 HydrophobicContact CD2-CG2 4.47Å; F34-I51 HydrophobicContact CE2-CG2 4.26Å
35C97Very high95Very high72 Ų7269.7 Ų69.749%0.48642%0.42SS..EExtended strand (participates in β ladder)trans-109.2-60.4172.9-58.30000110.9L52C35-L52 HydrophobicContact CB-CB 4.21Å; C35-L52 HydrophobicContact CB-CD2 4.02Å; C35-L52 HydrophobicContact CB-CG 3.89Å; C35-L52 WeakPolarHBondContact CB-O 3.3Å; C35-L52 PolarHBondContact N-O 3.2Å
36Q97Very high95Very high130 Ų13075.5 Ų75.561%0.60744%0.441SS*.EExtended strand (participates in β ladder)trans-160.7155.7-176-171.3167.6-2800110.8L52Q36-L52 PolarHBondContact N-O 3.12Å; Q36-L52 WeakPolarHBondContact O-CA 3.46Å; Q36-L52 WeakPolarHBondContact O-CB 3.48Å; Q36-L52 PolarHBondContact O-N 2.89Å
37A97.3Very high95Very high33 Ų3375 Ų7527%0.27344%0.437SS..EExtended strand (participates in β ladder)trans-132.7151.8166.500000110.7I19 F34 L50I19-A37 HydrophobicContact CD1-CB 4.18Å; I19-A37 HydrophobicContact CG2-CB 3.65Å; F34-A37 HydrophobicContact CE2-CB 3.9Å; F34-A37 HydrophobicContact CZ-CB 3.86Å; A37-L50 CarbonylContact C-O 3.25Å; A37-L50 WeakPolarHBondContact CA-O 3.37Å
38A96.5Very high95.2Very high54 Ų5473.5 Ų73.545%0.44641%0.414SS..EExtended strand (participates in β ladder)trans-133.8152.5172.400000109.3F49 L50A38-F49 WeakPolarHBondContact O-CA 3.36Å; A38-L50 PolarHBondContact N-O 2.96Å; A38-L50 PolarHBondContact O-N 3.41Å
39C95.1Very high95.2Very high78 Ų7871.7 Ų71.753%0.52741%0.406SS..EExtended strand (participates in β ladder)trans-137.3145.5171.9680000111.6T47 E48 F49C39-T47 HydrophobicContact CB-CG2 4.39Å; C39-E48 CarbonylContact C-O 3.54Å; C39-E48 WeakPolarHBondContact CA-O 3.31Å; C39-E48 WeakPolarHBondContact CB-O 3.34Å; C39-F49 HydrophobicContact CB-CD1 3.48Å; C39-F49 VanDerWaalsContact CB-CD1 3.48Å; C39-F49 HydrophobicContact CB-CE1 3.56Å; C39-F49 HydrophobicContact CB-CG 4.17Å; C39-F49 HydrophobicContact CB-CZ 4.33Å
40E95.7Very high95.3Very high136 Ų13669.4 Ų69.464%0.63639%0.387SS*.EExtended strand (participates in β ladder)trans-139.4139.9-178.2-172.4171.4-172.700110.6T47 E48E40-T47 CarbonylContact O-C 3.6Å; E40-T47 WeakPolarHBondContact O-CA 3.44Å; E40-E48 PolarHBondContact N-O 3.19Å; E40-E48 PolarHBondContact O-N 3.47Å
41Q94.9Very high95.5Very high129 Ų12967 Ų6760%0.60337%0.374SS*.EExtended strand (participates in β ladder)trans-83.3121.9172.1-71.6-80.54700109T47Q41-T47 PolarHBondContact OE1-OG1 3.26Å
42Q93.4Very high95.6Very high39 Ų3969.6 Ų69.618%0.18239%0.387CS..  trans-84.5154.6178.7-65.2-167.7-17.700111.6N44 G45 R46 E48Q42-N44 WeakPolarHBondContact CB-OD1 3.29Å; Q42-N44 PolarHBondContact O-N 2.89Å; Q42-N44 VanDerWaalsContact O-N 3.07Å; Q42-N44 PolarHBondContact OE1-ND2 3.42Å; Q42-G45 PolarHBondContact O-N 3.27Å; Q42-R46 WeakPolarHBondContact CB-O 3.48Å; Q42-R46 PolarHBondContact N-O 3.44Å; Q42-E48 HydrophobicContact CG-CB 4.11Å; Q42-E48 VanDerWaalsContact NE2-CD 3.3Å; Q42-E48 PolarHBondContact NE2-OE2 3.01Å
43P91.1Very high95.8Very high145 Ų14567.9 Ų67.994%0.94238%0.379SS*.THydrogen-bonded Turntrans-59.1-23.3179.5-25.934.6000114.9G45P43-G45 PolarHBondContact O-N 3.31Å
44N91.2Very high95.7Very high97 Ų9768.3 Ų68.352%0.51938%0.381SS..THydrogen-bonded Turntrans-81.88.1176.863.110.1000113.4Q42 R46Q42-N44 WeakPolarHBondContact CB-OD1 3.29Å; Q42-N44 PolarHBondContact O-N 2.89Å; Q42-N44 VanDerWaalsContact O-N 3.07Å; Q42-N44 PolarHBondContact OE1-ND2 3.42Å; N44-R46 VanDerWaalsContact C-N 3.3Å; N44-R46 PolarHBondContact O-N 3.48Å; N44-R46 VanDerWaalsContact OD1-CB 3.24Å; N44-R46 WeakPolarHBondContact OD1-CB 3.48Å; N44-R46 WeakPolarHBondContact OD1-CG 3.31Å; N44-R46 PolarHBondContact OD1-N 2.8Å
45G90.5Very high95.5Very high57 Ų5774.3 Ų74.359%0.58841%0.414SS*.SBendtrans802.6-179.100000115Q42 P43Q42-G45 PolarHBondContact O-N 3.27Å; P43-G45 PolarHBondContact O-N 3.31Å
46R95.3Very high95.2Very high127 Ų12774.9 Ų74.948%0.47942%0.417SS..PPolyproline II helixtrans-86.4152.2176.8-59-173.6177.9-177.5-2.2111I5 A6 Q42 N44I5-R46 HydrophobicContact CG2-CB 3.86Å; I5-R46 HydrophobicContact CG2-CG 4.4Å; A6-R46 CarbonylContact O-C 3.47Å; A6-R46 VanDerWaalsContact O-CA 3.29Å; A6-R46 WeakPolarHBondContact O-CA 3.42Å; A6-R46 VanDerWaalsContact O-CB 3.3Å; A6-R46 WeakPolarHBondContact O-CB 3.41Å; Q42-R46 WeakPolarHBondContact CB-O 3.48Å; Q42-R46 PolarHBondContact N-O 3.44Å; N44-R46 VanDerWaalsContact C-N 3.3Å; N44-R46 PolarHBondContact O-N 3.48Å; N44-R46 VanDerWaalsContact OD1-CB 3.24Å; N44-R46 WeakPolarHBondContact OD1-CB 3.48Å; N44-R46 WeakPolarHBondContact OD1-CG 3.31Å; N44-R46 PolarHBondContact OD1-N 2.8Å
47T97.1Very high94.8Very high11 Ų1174 Ų747%0.06743%0.426CS..EExtended strand (participates in β ladder)trans-102.6125.1171.6-48.30000110I5 A6 C39 E40 Q41 F49I5-T47 CarbonylContact C-O 3.59Å; I5-T47 WeakPolarHBondContact CA-O 3.1Å; A6-T47 PolarHBondContact N-O 2.96Å; A6-T47 PolarHBondContact O-N 3.32Å; C39-T47 HydrophobicContact CB-CG2 4.39Å; E40-T47 CarbonylContact O-C 3.6Å; E40-T47 WeakPolarHBondContact O-CA 3.44Å; Q41-T47 PolarHBondContact OE1-OG1 3.26Å; T47-F49 HydrophobicContact CG2-CD2 4.23Å; T47-F49 HydrophobicContact CG2-CE1 4.43Å; T47-F49 HydrophobicContact CG2-CE2 3.53Å; T47-F49 HydrophobicContact CG2-CZ 3.65Å
48E97.5Very high94.3Very high29 Ų2973.6 Ų73.614%0.13643%0.425CS..EExtended strand (participates in β ladder)trans-95.4141.2173.9178.4164.9-138.600110.9R3 L4 C39 E40 Q42R3-E48 IonicContact CZ-OE1 3.1Å; R3-E48 IonicContact NE-OE1 2.85Å; R3-E48 PolarHBondContact NE-OE1 3.41Å; R3-E48 IonicContact NH2-OE1 2.75Å; R3-E48 PolarHBondContact NH2-OE1 3.46Å; L4-E48 WeakPolarHBondContact O-CA 3.47Å; C39-E48 CarbonylContact C-O 3.54Å; C39-E48 WeakPolarHBondContact CA-O 3.31Å; C39-E48 WeakPolarHBondContact CB-O 3.34Å; E40-E48 PolarHBondContact N-O 3.19Å; E40-E48 PolarHBondContact O-N 3.47Å; Q42-E48 HydrophobicContact CG-CB 4.11Å; Q42-E48 VanDerWaalsContact NE2-CD 3.3Å; Q42-E48 PolarHBondContact NE2-OE2 3.01Å
49F98.1Very high93.8Very high3 Ų373.3 Ų73.31%0.01343%0.427CS..EExtended strand (participates in β ladder)trans-127131.4176.6-62.9-96.9000110R3 L4 A6 A12 I15 R16 I19 A38 C39 T47R3-F49 WeakPolarHBondContact CA-O 3.28Å; L4-F49 HydrophobicContact CB-CB 4.33Å; L4-F49 PolarHBondContact N-O 2.8Å; L4-F49 PolarHBondContact O-N 3.3Å; A6-F49 HydrophobicContact CB-CE2 4.14Å; A12-F49 HydrophobicContact CB-CE2 4.11Å; A12-F49 HydrophobicContact CB-CZ 4.03Å; I15-F49 HydrophobicContact CB-CD2 4.29Å; I15-F49 HydrophobicContact CB-CE2 4.24Å; I15-F49 HydrophobicContact CB-CZ 4.44Å; I15-F49 HydrophobicContact CD1-CD2 3.96Å; I15-F49 HydrophobicContact CD1-CE2 4.13Å; I15-F49 HydrophobicContact CG2-CB 3.99Å; I15-F49 HydrophobicContact CG2-CD1 3.83Å; I15-F49 HydrophobicContact CG2-CD2 3.78Å; I15-F49 HydrophobicContact CG2-CE1 4.22Å; I15-F49 HydrophobicContact CG2-CE2 4.16Å; I15-F49 HydrophobicContact CG2-CG 3.59Å; I15-F49 HydrophobicContact CG2-CZ 4.36Å; R16-F49 HydrophobicContact CG-CE1 3.7Å; R16-F49 HydrophobicContact CG-CZ 4.03Å; I19-F49 HydrophobicContact CD1-CB 4.41Å; I19-F49 HydrophobicContact CD1-CD1 3.75Å; I19-F49 HydrophobicContact CD1-CE1 4.49Å; I19-F49 HydrophobicContact CD1-CG 4.42Å; A38-F49 WeakPolarHBondContact O-CA 3.36Å; C39-F49 HydrophobicContact CB-CD1 3.48Å; C39-F49 VanDerWaalsContact CB-CD1 3.48Å; C39-F49 HydrophobicContact CB-CE1 3.56Å; C39-F49 HydrophobicContact CB-CG 4.17Å; C39-F49 HydrophobicContact CB-CZ 4.33Å; T47-F49 HydrophobicContact CG2-CD2 4.23Å; T47-F49 HydrophobicContact CG2-CE1 4.43Å; T47-F49 HydrophobicContact CG2-CE2 3.53Å; T47-F49 HydrophobicContact CG2-CZ 3.65Å
50L97.7Very high93.3Very high70 Ų7073.3 Ų73.337%0.36643%0.426SS..EExtended strand (participates in β ladder)trans-113.4125172.1-63.4175.5000108.5M1 R3 A37 A38M1-L50 HydrophobicContact SD-CD2 4.28Å; R3-L50 HydrophobicContact CB-CD2 4.1Å; R3-L50 HydrophobicContact CG-CD2 3.97Å; A37-L50 CarbonylContact C-O 3.25Å; A37-L50 WeakPolarHBondContact CA-O 3.37Å; A38-L50 PolarHBondContact N-O 2.96Å; A38-L50 PolarHBondContact O-N 3.41Å
51I97.8Very high92.8Very high5 Ų570.3 Ų70.33%0.02641%0.414CS..EExtended strand (participates in β ladder)trans-121.3120.6-177.7-52.2165.5000108.3M1 K2 L4 I19 L22 F34 T53M1-I51 CarbonylContact C-O 3.49Å; M1-I51 WeakPolarHBondContact CA-O 3.45Å; K2-I51 HydrophobicContact CB-CB 4.35Å; K2-I51 PolarHBondContact N-O 3.5Å; K2-I51 PolarHBondContact O-N 2.93Å; L4-I51 HydrophobicContact CD1-CD1 3.89Å; I19-I51 HydrophobicContact CD1-CD1 3.96Å; I19-I51 HydrophobicContact CD1-CG1 3.89Å; I19-I51 HydrophobicContact CG1-CD1 3.65Å; I19-I51 HydrophobicContact CG1-CG1 3.89Å; L22-I51 HydrophobicContact CD2-CG2 4.07Å; F34-I51 HydrophobicContact CD2-CG2 4.47Å; F34-I51 HydrophobicContact CE2-CG2 4.26Å; I51-T53 HydrophobicContact CG2-CG2 4.15Å
52L97.6Very high92.2Very high75 Ų7566.2 Ų66.239%0.39340%0.396SS..EExtended strand (participates in β ladder)trans-104.3128176.3-172.365.7000109.6M1 C35 Q36M1-L52 HydrophobicContact CB-CD1 4.45Å; C35-L52 HydrophobicContact CB-CB 4.21Å; C35-L52 HydrophobicContact CB-CD2 4.02Å; C35-L52 HydrophobicContact CB-CG 3.89Å; C35-L52 WeakPolarHBondContact CB-O 3.3Å; C35-L52 PolarHBondContact N-O 3.2Å; Q36-L52 PolarHBondContact N-O 3.12Å; Q36-L52 WeakPolarHBondContact O-CA 3.46Å; Q36-L52 WeakPolarHBondContact O-CB 3.48Å; Q36-L52 PolarHBondContact O-N 2.89Å
53T96.5Very high91.9Very high31 Ų3168.2 Ų68.219%0.1941%0.408CS..EExtended strand (participates in β ladder)trans-133.6173.9179.962.20000108.9L22 L32 Q33 I51L22-T53 HydrophobicContact CD2-CG2 4.04Å; L32-T53 HydrophobicContact CD2-CG2 3.83Å; L32-T53 HydrophobicContact CG-CG2 4.21Å; Q33-T53 CarbonylContact O-C 3.59Å; Q33-T53 WeakPolarHBondContact O-CA 3.33Å; Q33-T53 WeakPolarHBondContact O-CB 3.15Å; I51-T53 HydrophobicContact CG2-CG2 4.15Å
54E95.2Very high91.6Very high87 Ų8768.6 Ų68.641%0.40739%0.39SS..  trans-55.5158.6166.265.2177.814000112.8L32 Q33L32-E54 WeakPolarHBondContact CA-OE1 3.34Å; L32-E54 HydrophobicContact CD1-CG 3.58Å; Q33-E54 HydrophobicContact CB-CB 4.1Å; Q33-E54 HydrophobicContact CB-CG 4.03Å; Q33-E54 PolarHBondContact N-OE1 3.21Å; Q33-E54 PolarHBondContact O-N 3.03Å
55L93.7Very high91.4Very high153 Ų15365.1 Ų65.180%0.80137%0.372SS*.  trans-87.4108.9177.5178.365.8000110.5S57L55-S57 PolarHBondContact O-N 3.39Å
56C90.9Very high91.2Very high83 Ų8370 Ų7056%0.56137%0.372SS*.  trans-86.583.3169.1-530000110.3L32 G58L32-C56 VanDerWaalsContact CD1-SG 3.57Å; C56-G58 PolarHBondContact O-N 3.34Å; C56-G58 VanDerWaalsContact O-N 3.13Å
57S88.1Confident90.8Very high112 Ų11268.1 Ų68.178%0.78339%0.385SS*.THydrogen-bonded Turntrans-65.6-13.8-176.659.40000114.5L55 G59L55-S57 PolarHBondContact O-N 3.39Å; S57-G59 VanDerWaalsContact C-N 3.25Å; S57-G59 PolarHBondContact O-N 3.44Å
58G85.4Confident90.4Very high25 Ų2571.8 Ų71.826%0.25840%0.397SS..THydrogen-bonded Turntrans-73.7-13.1-176.900000115.4C56 R64C56-G58 PolarHBondContact O-N 3.34Å; C56-G58 VanDerWaalsContact O-N 3.13Å; G58-R64 VanDerWaalsContact O-CZ 3.26Å; G58-R64 PolarHBondContact O-NE 3.42Å; G58-R64 PolarHBondContact O-NH2 2.95Å
59G86.4Confident89.9Confident48 Ų4873.6 Ų73.650%0.49542%0.424SS..  trans70.3-178.1-170.800000112.8S57 L61S57-G59 VanDerWaalsContact C-N 3.25Å; S57-G59 PolarHBondContact O-N 3.44Å; G59-L61 PolarHBondContact O-N 3.13Å
60P86Confident89.4Confident77 Ų7777.2 Ų77.250%0.545%0.446SS..  trans-61.6132.9178.7-22.735.1000111.4L62 D63 R64P60-L62 PolarHBondContact O-N 3.01Å; P60-D63 HydrophobicContact CB-CB 4.48Å; P60-D63 WeakPolarHBondContact CD-OD2 3.28Å; P60-D63 WeakPolarHBondContact CG-OD2 3.49Å; P60-D63 PolarHBondContact O-N 3.46Å; P60-R64 PolarHBondContact O-N 3.43Å
61L84.2Confident88.8Confident73 Ų7376.2 Ų76.238%0.38244%0.444SS..Hα-helixtrans-53.9-38.6175.9178.361.4000111.5G59 D63 R64 L65G59-L61 PolarHBondContact O-N 3.13Å; L61-D63 VanDerWaalsContact C-N 3.32Å; L61-D63 PolarHBondContact O-N 2.92Å; L61-R64 WeakPolarHBondContact O-CB 3.47Å; L61-R64 PolarHBondContact O-N 3.4Å; L61-L65 HydrophobicContact CD1-CG 4.31Å; L61-L65 HydrophobicContact CG-CD1 4.11Å; L61-L65 HydrophobicContact CG-CG 4.3Å; L61-L65 WeakPolarHBondContact O-CG 3.29Å; L61-L65 PolarHBondContact O-N 2.89Å
62L83.3Confident88.2Confident43 Ų4377.3 Ų77.323%0.22545%0.449CS..Hα-helixtrans-57.9-41.6178.2-179.756.7000113P60 R64 L65 R66 Y109P60-L62 PolarHBondContact O-N 3.01Å; L62-R64 VanDerWaalsContact C-N 3.31Å; L62-R64 PolarHBondContact O-N 3.22Å; L62-L65 PolarHBondContact O-N 3.16Å; L62-R66 HydrophobicContact CD1-CG 4.29Å; L62-R66 WeakPolarHBondContact O-CB 3.38Å; L62-R66 VanDerWaalsContact O-CG 3.29Å; L62-R66 WeakPolarHBondContact O-CG 3.46Å; L62-R66 PolarHBondContact O-N 3.3Å; L62-Y109 HydrophobicContact CD1-CD1 3.42Å; L62-Y109 VanDerWaalsContact CD1-CD1 3.42Å; L62-Y109 HydrophobicContact CD1-CD2 3.93Å; L62-Y109 HydrophobicContact CD1-CE1 3.79Å; L62-Y109 HydrophobicContact CD1-CE2 4.25Å; L62-Y109 HydrophobicContact CD1-CG 3.49Å; L62-Y109 VanDerWaalsContact CD1-CG 3.49Å; L62-Y109 HydrophobicContact CD2-CE1 4.41Å; L62-Y109 HydrophobicContact CD2-CE2 4.19Å
63D87.3Confident87.9Confident81 Ų8179.4 Ų79.443%0.43346%0.457SS..Hα-helixtrans-68.9-35.5-179-64.9-22.9000110.8P60 L61 R66 A67P60-D63 HydrophobicContact CB-CB 4.48Å; P60-D63 WeakPolarHBondContact CD-OD2 3.28Å; P60-D63 WeakPolarHBondContact CG-OD2 3.49Å; P60-D63 PolarHBondContact O-N 3.46Å; L61-D63 VanDerWaalsContact C-N 3.32Å; L61-D63 PolarHBondContact O-N 2.92Å; D63-R66 PolarHBondContact O-N 3.47Å; D63-R66 IonicContact OD1-NH1 3.86Å; D63-A67 VanDerWaalsContact O-CB 3.3Å; D63-A67 WeakPolarHBondContact O-CB 3.32Å; D63-A67 PolarHBondContact O-N 2.92Å
64R84.1Confident87.5Confident153 Ų15385.2 Ų85.258%0.57748%0.48SS*.Hα-helixtrans-65.5-44.3172.4-70.3-174.9168.9-169.1-11.3112.4G58 P60 L61 L62 R66 A67 R68G58-R64 VanDerWaalsContact O-CZ 3.26Å; G58-R64 PolarHBondContact O-NE 3.42Å; G58-R64 PolarHBondContact O-NH2 2.95Å; P60-R64 PolarHBondContact O-N 3.43Å; L61-R64 WeakPolarHBondContact O-CB 3.47Å; L61-R64 PolarHBondContact O-N 3.4Å; L62-R64 VanDerWaalsContact C-N 3.31Å; L62-R64 PolarHBondContact O-N 3.22Å; R64-R66 VanDerWaalsContact C-N 3.31Å; R64-R66 PolarHBondContact O-N 3.47Å; R64-A67 PolarHBondContact O-N 3.35Å; R64-R68 WeakPolarHBondContact O-CB 3.49Å; R64-R68 PolarHBondContact O-N 2.98Å
65L85.9Confident87.4Confident25 Ų2585.6 Ų85.613%0.13149%0.491CS..Hα-helixtrans-62.5-41.3177.6-68.2178.6000111.2L61 L62 R68 G69 L72 I110L61-L65 HydrophobicContact CD1-CG 4.31Å; L61-L65 HydrophobicContact CG-CD1 4.11Å; L61-L65 HydrophobicContact CG-CG 4.3Å; L61-L65 WeakPolarHBondContact O-CG 3.29Å; L61-L65 PolarHBondContact O-N 2.89Å; L62-L65 PolarHBondContact O-N 3.16Å; L65-R68 PolarHBondContact O-N 3.42Å; L65-G69 PolarHBondContact O-N 3.39Å; L65-L72 HydrophobicContact CD2-CD1 3.74Å; L65-L72 HydrophobicContact CD2-CD2 3.79Å; L65-L72 HydrophobicContact CD2-CG 3.55Å; L65-I110 HydrophobicContact CD1-CG1 4.45Å
66R86.3Confident87.2Confident158 Ų15881.8 Ų81.860%0.59647%0.469SS*.Hα-helixtrans-63.8-45.3174.3-73.7171.1174.9171.2-4.4112.1L62 D63 R64 R68 G69L62-R66 HydrophobicContact CD1-CG 4.29Å; L62-R66 WeakPolarHBondContact O-CB 3.38Å; L62-R66 VanDerWaalsContact O-CG 3.29Å; L62-R66 WeakPolarHBondContact O-CG 3.46Å; L62-R66 PolarHBondContact O-N 3.3Å; D63-R66 PolarHBondContact O-N 3.47Å; D63-R66 IonicContact OD1-NH1 3.86Å; R64-R66 VanDerWaalsContact C-N 3.31Å; R64-R66 PolarHBondContact O-N 3.47Å; R66-R68 VanDerWaalsContact C-N 3.29Å; R66-R68 PolarHBondContact O-N 3.44Å; R66-G69 PolarHBondContact O-N 3.18Å; R66-G69 VanDerWaalsContact O-N 3.16Å
67A88.3Confident87.2Confident89 Ų8979 Ų7974%0.73645%0.45SS*.Hα-helixtrans-64.9-31.617900000112.9D63 R64 G69D63-A67 VanDerWaalsContact O-CB 3.3Å; D63-A67 WeakPolarHBondContact O-CB 3.32Å; D63-A67 PolarHBondContact O-N 2.92Å; R64-A67 PolarHBondContact O-N 3.35Å; A67-G69 VanDerWaalsContact C-N 3.26Å; A67-G69 PolarHBondContact O-N 3.37Å
68R87.6Confident87.4Confident88 Ų8878 Ų7833%0.33244%0.435SS..Hα-helixtrans-65.6-28.3174.9-171.7176.6179-81.58.6112.4R64 L65 R66 T70 P71 E76R64-R68 WeakPolarHBondContact O-CB 3.49Å; R64-R68 PolarHBondContact O-N 2.98Å; L65-R68 PolarHBondContact O-N 3.42Å; R66-R68 VanDerWaalsContact C-N 3.29Å; R66-R68 PolarHBondContact O-N 3.44Å; R68-T70 PolarHBondContact NH1-O 2.79Å; R68-T70 PolarHBondContact NH1-OG1 3.01Å; R68-T70 PolarHBondContact O-N 2.98Å; R68-T70 PolarHBondContact O-OG1 3.32Å; R68-P71 PolarHBondContact NH1-O 2.85Å; R68-P71 PolarHBondContact NH2-O 3.29Å; R68-E76 IonicContact CZ-OE1 3.84Å; R68-E76 IonicContact CZ-OE2 3.58Å; R68-E76 IonicContact NE-OE1 3.61Å; R68-E76 IonicContact NH2-OE1 3.33Å; R68-E76 PolarHBondContact NH2-OE1 2.95Å; R68-E76 IonicContact NH2-OE2 2.72Å; R68-E76 PolarHBondContact NH2-OE2 3.19Å
69G87Confident87.7Confident67 Ų6780 Ų8069%0.69144%0.443SS*.  trans66.3-1.9177.700000115.4L65 R66 A67L65-G69 PolarHBondContact O-N 3.39Å; R66-G69 PolarHBondContact O-N 3.18Å; R66-G69 VanDerWaalsContact O-N 3.16Å; A67-G69 VanDerWaalsContact C-N 3.26Å; A67-G69 PolarHBondContact O-N 3.37Å
70T88.3Confident87.9Confident79 Ų7980 Ų8049%0.48543%0.432SS..SBendtrans-136.1157.2-178.844.90000109.5R68R68-T70 PolarHBondContact NH1-O 2.79Å; R68-T70 PolarHBondContact NH1-OG1 3.01Å; R68-T70 PolarHBondContact O-N 2.98Å; R68-T70 PolarHBondContact O-OG1 3.32Å
71P84.4Confident88.2Confident49 Ų4981 Ų8132%0.31843%0.429SS..PPolyproline II helixtrans-80.1149.7-174.4-1031.1000111.1R68 E73 S113R68-P71 PolarHBondContact NH1-O 2.85Å; R68-P71 PolarHBondContact NH2-O 3.29Å; P71-E73 PolarHBondContact O-N 3.13Å; P71-S113 WeakPolarHBondContact CB-OG 3.35Å; P71-S113 VanDerWaalsContact CG-OG 3.31Å; P71-S113 WeakPolarHBondContact CG-OG 3.2Å
72L86.1Confident88.8Confident27 Ų2785.1 Ų85.114%0.14144%0.44CS..PPolyproline II helixtrans-62.6132.5174.1-66.2-177.7000110.3L65 E76 V77 L80 I110L65-L72 HydrophobicContact CD2-CD1 3.74Å; L65-L72 HydrophobicContact CD2-CD2 3.79Å; L65-L72 HydrophobicContact CD2-CG 3.55Å; L72-E76 WeakPolarHBondContact CA-OE2 3.32Å; L72-E76 HydrophobicContact CB-CB 4.16Å; L72-E76 HydrophobicContact CD2-CB 4.09Å; L72-V77 HydrophobicContact CB-CG2 3.46Å; L72-V77 VanDerWaalsContact CB-CG2 3.46Å; L72-V77 HydrophobicContact CD1-CG2 4.18Å; L72-V77 HydrophobicContact CG-CG2 4.49Å; L72-L80 HydrophobicContact CD1-CD1 3.58Å; L72-I110 HydrophobicContact CD1-CG2 4.47Å
73E90.1Very high89.3Confident119 Ų11987.4 Ų87.456%0.55645%0.45SS*.PPolyproline II helixtrans-70.7157.4170.7-67.3-60.6145.600109.9P71 C75 E76 V77P71-E73 PolarHBondContact O-N 3.13Å; E73-C75 PolarHBondContact O-N 3.32Å; E73-C75 VanDerWaalsContact O-N 3.1Å; E73-E76 PolarHBondContact N-OE2 3.25Å; E73-E76 WeakPolarHBondContact O-CA 3.4Å; E73-E76 WeakPolarHBondContact O-CB 3.49Å; E73-E76 PolarHBondContact O-N 3.13Å; E73-V77 PolarHBondContact O-N 3.12Å
74F89.1Confident89.6Confident153 Ų15385.1 Ų85.167%0.67144%0.437SS*.Hα-helixtrans-54.1-37-178-178.2-100.3000113E76 V77 L78F74-E76 VanDerWaalsContact C-N 3.26Å; F74-E76 PolarHBondContact O-N 2.87Å; F74-V77 PolarHBondContact O-N 2.93Å; F74-L78 HydrophobicContact CE1-CD2 4.13Å; F74-L78 HydrophobicContact CZ-CD1 4.18Å; F74-L78 HydrophobicContact CZ-CD2 4.43Å; F74-L78 WeakPolarHBondContact O-CB 3.37Å; F74-L78 PolarHBondContact O-N 2.81Å
75C92.6Very high90.2Very high95 Ų9580.5 Ų80.564%0.64243%0.428SS*.Hα-helixtrans-66.2-24.4176.8590000113.8E73 P79E73-C75 PolarHBondContact O-N 3.32Å; E73-C75 VanDerWaalsContact O-N 3.1Å; C75-P79 WeakPolarHBondContact O-CD 3.49Å; C75-P79 WeakPolarHBondContact O-CG 3.36Å
76E90.1Very high90.7Very high73 Ų7380.5 Ų80.534%0.34143%0.43SS..Hα-helixtrans-87.5-34.8174.5-62.1172110.200111.5R68 L72 E73 F74R68-E76 IonicContact CZ-OE1 3.84Å; R68-E76 IonicContact CZ-OE2 3.58Å; R68-E76 IonicContact NE-OE1 3.61Å; R68-E76 IonicContact NH2-OE1 3.33Å; R68-E76 PolarHBondContact NH2-OE1 2.95Å; R68-E76 IonicContact NH2-OE2 2.72Å; R68-E76 PolarHBondContact NH2-OE2 3.19Å; L72-E76 WeakPolarHBondContact CA-OE2 3.32Å; L72-E76 HydrophobicContact CB-CB 4.16Å; L72-E76 HydrophobicContact CD2-CB 4.09Å; E73-E76 PolarHBondContact N-OE2 3.25Å; E73-E76 WeakPolarHBondContact O-CA 3.4Å; E73-E76 WeakPolarHBondContact O-CB 3.49Å; E73-E76 PolarHBondContact O-N 3.13Å; F74-E76 VanDerWaalsContact C-N 3.26Å; F74-E76 PolarHBondContact O-N 2.87Å
77V90.1Very high91.2Very high26 Ų2673.6 Ų73.616%0.15841%0.406CS..Hα-helixtrans-70.6-42.4178.91760000112L72 E73 F74 L80 F81 I110L72-V77 HydrophobicContact CB-CG2 3.46Å; L72-V77 VanDerWaalsContact CB-CG2 3.46Å; L72-V77 HydrophobicContact CD1-CG2 4.18Å; L72-V77 HydrophobicContact CG-CG2 4.49Å; E73-V77 PolarHBondContact O-N 3.12Å; F74-V77 PolarHBondContact O-N 2.93Å; V77-L80 WeakPolarHBondContact O-CB 3.39Å; V77-L80 PolarHBondContact O-N 3.32Å; V77-L80 VanDerWaalsContact O-N 3.13Å; V77-F81 WeakPolarHBondContact O-CB 3.42Å; V77-F81 PolarHBondContact O-N 2.94Å; V77-I110 HydrophobicContact CB-CG2 4.2Å; V77-I110 HydrophobicContact CG1-CG2 3.66Å; V77-I110 HydrophobicContact CG2-CG2 3.49Å; V77-I110 VanDerWaalsContact CG2-CG2 3.49Å
78L92.2Very high91.6Very high89 Ų8970.5 Ų70.547%0.46638%0.378SS..Hα-helixtrans-59-44.8-172-174.469.7000113.1F74 L80 F81 Y82F74-L78 HydrophobicContact CE1-CD2 4.13Å; F74-L78 HydrophobicContact CZ-CD1 4.18Å; F74-L78 HydrophobicContact CZ-CD2 4.43Å; F74-L78 WeakPolarHBondContact O-CB 3.37Å; F74-L78 PolarHBondContact O-N 2.81Å; L78-L80 PolarHBondContact O-N 3.48Å; L78-F81 PolarHBondContact O-N 3.06Å; L78-Y82 WeakPolarHBondContact O-CB 3.21Å; L78-Y82 PolarHBondContact O-N 3.34Å
79P93Very high92Very high67 Ų6771.8 Ų71.844%0.43539%0.392SS..Hα-helixtrans-63.2-39.6174.4-23.134.6000113.4C75 Y82 Q83C75-P79 WeakPolarHBondContact O-CD 3.49Å; C75-P79 WeakPolarHBondContact O-CG 3.36Å; P79-Y82 PolarHBondContact O-N 3.43Å; P79-Q83 WeakPolarHBondContact O-CG 3.43Å; P79-Q83 PolarHBondContact O-N 3.34Å
80L90.8Very high92.5Very high50 Ų5070.3 Ų70.326%0.26237%0.367SS..Hα-helixtrans-64.7-44.8177-65.4175.5000111.1L72 V77 L78 Y82 Q83 I84L72-L80 HydrophobicContact CD1-CD1 3.58Å; V77-L80 WeakPolarHBondContact O-CB 3.39Å; V77-L80 PolarHBondContact O-N 3.32Å; V77-L80 VanDerWaalsContact O-N 3.13Å; L78-L80 PolarHBondContact O-N 3.48Å; L80-Y82 VanDerWaalsContact C-N 3.34Å; L80-Y82 PolarHBondContact O-N 3.39Å; L80-Q83 PolarHBondContact O-N 3.42Å; L80-I84 WeakPolarHBondContact O-CG1 3.47Å; L80-I84 PolarHBondContact O-N 3.23Å
81F91.9Very high93Very high98 Ų9867.3 Ų67.343%0.4335%0.347SS..Hα-helixtrans-60.6-45.1176.8-175.6-98.8000111.2V77 L78 Q83 I84 C85 F107V77-F81 WeakPolarHBondContact O-CB 3.42Å; V77-F81 PolarHBondContact O-N 2.94Å; L78-F81 PolarHBondContact O-N 3.06Å; F81-Q83 PolarHBondContact O-N 3.33Å; F81-I84 PolarHBondContact O-N 2.95Å; F81-C85 WeakPolarHBondContact CE1-SG 3.2Å; F81-C85 PolarHBondContact O-N 3.2Å; F81-C85 PolarHBondContact O-SG 2.85Å; F81-C85 VanDerWaalsContact O-SG 3.42Å; F81-F107 HydrophobicContact CD2-CD1 4.33Å; F81-F107 AromaticContact CD2-CE1 3.43Å; F81-F107 HydrophobicContact CD2-CE1 3.43Å; F81-F107 VanDerWaalsContact CD2-CE1 3.43Å; F81-F107 AromaticContact CD2-CZ 3.7Å; F81-F107 HydrophobicContact CD2-CZ 3.7Å; F81-F107 AromaticContact CE2-CE1 3.95Å; F81-F107 HydrophobicContact CE2-CE1 3.95Å; F81-F107 AromaticContact CE2-CZ 3.82Å; F81-F107 HydrophobicContact CE2-CZ 3.82Å
82Y95.5Very high93.6Very high158 Ų15869.3 Ų69.362%0.6235%0.352SS*.Hα-helixtrans-58-46.7176.4178.1-101.2000112.1L78 P79 L80 I84 C85 C86L78-Y82 WeakPolarHBondContact O-CB 3.21Å; L78-Y82 PolarHBondContact O-N 3.34Å; P79-Y82 PolarHBondContact O-N 3.43Å; L80-Y82 VanDerWaalsContact C-N 3.34Å; L80-Y82 PolarHBondContact O-N 3.39Å; Y82-I84 VanDerWaalsContact C-N 3.31Å; Y82-I84 PolarHBondContact O-N 2.93Å; Y82-C85 WeakPolarHBondContact O-CB 3.5Å; Y82-C85 PolarHBondContact O-N 2.96Å; Y82-C85 VanDerWaalsContact O-N 3.12Å; Y82-C86 VanDerWaalsContact CE1-SG 3.57Å; Y82-C86 VanDerWaalsContact CZ-SG 3.53Å; Y82-C86 PolarHBondContact O-N 3.35Å; Y82-C86 PolarHBondContact O-SG 2.88Å; Y82-C86 VanDerWaalsContact O-SG 3.34Å
83Q94.9Very high94.1Very high91 Ų9171.6 Ų71.643%0.42537%0.371SS..Hα-helixtrans-59.4-41.1176.3-71.4178.910.400112.4N30 P79 L80 F81 C86 A87N30-Q83 HydrophobicContact CB-CB 4.41Å; N30-Q83 WeakPolarHBondContact CB-O 3.35Å; N30-Q83 WeakPolarHBondContact ND2-CG 3.4Å; P79-Q83 WeakPolarHBondContact O-CG 3.43Å; P79-Q83 PolarHBondContact O-N 3.34Å; L80-Q83 PolarHBondContact O-N 3.42Å; F81-Q83 PolarHBondContact O-N 3.33Å; Q83-C86 PolarHBondContact O-N 3.33Å; Q83-A87 PolarHBondContact O-N 3.13Å
84I93.8Very high94.4Very high34 Ų3467.7 Ų67.717%0.17435%0.352CS..Hα-helixtrans-64.7-41.7175.7-64.2162.6000110.3L80 F81 Y82 C86 A87 V88 L103 T106 F107L80-I84 WeakPolarHBondContact O-CG1 3.47Å; L80-I84 PolarHBondContact O-N 3.23Å; F81-I84 PolarHBondContact O-N 2.95Å; Y82-I84 VanDerWaalsContact C-N 3.31Å; Y82-I84 PolarHBondContact O-N 2.93Å; I84-C86 PolarHBondContact O-N 2.93Å; I84-A87 WeakPolarHBondContact O-CB 3.34Å; I84-A87 PolarHBondContact O-N 3.45Å; I84-V88 HydrophobicContact CG2-CG2 4.26Å; I84-V88 WeakPolarHBondContact O-CB 3.3Å; I84-V88 VanDerWaalsContact O-CG2 3.24Å; I84-V88 WeakPolarHBondContact O-CG2 3.48Å; I84-V88 PolarHBondContact O-N 2.91Å; I84-L103 HydrophobicContact CG2-CD2 4.32Å; I84-T106 HydrophobicContact CD1-CG2 3.78Å; I84-F107 HydrophobicContact CB-CZ 4.01Å; I84-F107 HydrophobicContact CD1-CD1 4.37Å; I84-F107 HydrophobicContact CD1-CE1 3.45Å; I84-F107 VanDerWaalsContact CD1-CE1 3.45Å; I84-F107 HydrophobicContact CD1-CZ 3.56Å; I84-F107 HydrophobicContact CG1-CZ 4.37Å; I84-F107 HydrophobicContact CG2-CE2 4.06Å; I84-F107 HydrophobicContact CG2-CZ 3.58Å
85C95.7Very high94.7Very high55 Ų5570.1 Ų70.137%0.37236%0.363SS..Hα-helixtrans-60.9-43.7175.1-71.10000112.4F81 Y82 A87 V88 D89F81-C85 WeakPolarHBondContact CE1-SG 3.2Å; F81-C85 PolarHBondContact O-N 3.2Å; F81-C85 PolarHBondContact O-SG 2.85Å; F81-C85 VanDerWaalsContact O-SG 3.42Å; Y82-C85 WeakPolarHBondContact O-CB 3.5Å; Y82-C85 PolarHBondContact O-N 2.96Å; Y82-C85 VanDerWaalsContact O-N 3.12Å; C85-A87 VanDerWaalsContact C-N 3.34Å; C85-A87 PolarHBondContact O-N 3.15Å; C85-V88 PolarHBondContact O-N 2.96Å; C85-D89 WeakPolarHBondContact O-CB 3.44Å; C85-D89 PolarHBondContact O-N 3.25Å
86C97.5Very high94.8Very high26 Ų2670.9 Ų70.918%0.17637%0.367CS..Hα-helixtrans-61.3-42.9175.1-64.10000111.8Y82 Q83 I84 V88 D89 H90Y82-C86 VanDerWaalsContact CE1-SG 3.57Å; Y82-C86 VanDerWaalsContact CZ-SG 3.53Å; Y82-C86 PolarHBondContact O-N 3.35Å; Y82-C86 PolarHBondContact O-SG 2.88Å; Y82-C86 VanDerWaalsContact O-SG 3.34Å; Q83-C86 PolarHBondContact O-N 3.33Å; I84-C86 PolarHBondContact O-N 2.93Å; C86-V88 VanDerWaalsContact C-N 3.35Å; C86-V88 PolarHBondContact O-N 3.22Å; C86-D89 PolarHBondContact O-N 2.89Å; C86-H90 WeakPolarHBondContact O-CB 3.46Å; C86-H90 PolarHBondContact O-N 3.31Å
87A96.1Very high95Very high12 Ų1271.3 Ų71.310%0.09938%0.376CS..Hα-helixtrans-60.7-43.7174.700000112.1N30 V31 Q83 I84 C85 H90 L91N30-A87 HydrophobicContact CB-CB 3.92Å; N30-A87 VanDerWaalsContact O-CB 3.31Å; N30-A87 WeakPolarHBondContact O-CB 3.47Å; V31-A87 HydrophobicContact CG2-CB 3.83Å; Q83-A87 PolarHBondContact O-N 3.13Å; I84-A87 WeakPolarHBondContact O-CB 3.34Å; I84-A87 PolarHBondContact O-N 3.45Å; C85-A87 VanDerWaalsContact C-N 3.34Å; C85-A87 PolarHBondContact O-N 3.15Å; A87-H90 WeakPolarHBondContact O-CB 3.34Å; A87-H90 PolarHBondContact O-N 3.47Å; A87-L91 VanDerWaalsContact O-CG 3.31Å; A87-L91 WeakPolarHBondContact O-CG 3.17Å; A87-L91 PolarHBondContact O-N 2.92Å
88V96.3Very high95.3Very high25 Ų2571.3 Ų71.315%0.15238%0.375CS..Hα-helixtrans-67.3-41.4179.4170.70000111.7I84 C85 C86 H90 L91 H92 L103I84-V88 HydrophobicContact CG2-CG2 4.26Å; I84-V88 WeakPolarHBondContact O-CB 3.3Å; I84-V88 VanDerWaalsContact O-CG2 3.24Å; I84-V88 WeakPolarHBondContact O-CG2 3.48Å; I84-V88 PolarHBondContact O-N 2.91Å; C85-V88 PolarHBondContact O-N 2.96Å; C86-V88 VanDerWaalsContact C-N 3.35Å; C86-V88 PolarHBondContact O-N 3.22Å; V88-H90 VanDerWaalsContact C-N 3.34Å; V88-L91 PolarHBondContact O-N 2.77Å; V88-H92 WeakPolarHBondContact CG1-CE1 3.38Å; V88-H92 WeakPolarHBondContact O-CB 3.41Å; V88-H92 VanDerWaalsContact O-CG 3.25Å; V88-H92 PolarHBondContact O-N 3.04Å; V88-L103 HydrophobicContact CG1-CD1 4.47Å; V88-L103 HydrophobicContact CG2-CD1 3.48Å; V88-L103 VanDerWaalsContact CG2-CD1 3.48Å; V88-L103 HydrophobicContact CG2-CD2 3.82Å; V88-L103 HydrophobicContact CG2-CG 4.31Å
89D97.3Very high95.3Very high115 Ų11572.6 Ų72.662%0.61538%0.381SS*.Hα-helixtrans-58.4-47.5174.5-176.860.6000111C85 C86 L91 H92 S93C85-D89 WeakPolarHBondContact O-CB 3.44Å; C85-D89 PolarHBondContact O-N 3.25Å; C86-D89 PolarHBondContact O-N 2.89Å; D89-L91 PolarHBondContact O-N 3.39Å; D89-H92 PolarHBondContact O-N 3.36Å; D89-S93 WeakPolarHBondContact O-CB 3.49Å; D89-S93 PolarHBondContact O-N 3.03Å
90H97.6Very high95.1Very high36 Ų3674 Ų7417%0.16738%0.381CS..Hα-helixtrans-54.4-51.8172.7173.173.3000112.1A25 H28 C86 A87 V88 H92 S93 H94A25-H90 PolarHBondContact O-CD2 2.86Å; A25-H90 PolarHBondContact O-NE2 3.5Å; H28-H90 HydrophobicContact CB-CB 4.2Å; H28-H90 AromaticContact CD2-CG 3.93Å; H28-H90 AromaticContact CG-CG 3.79Å; C86-H90 WeakPolarHBondContact O-CB 3.46Å; C86-H90 PolarHBondContact O-N 3.31Å; A87-H90 WeakPolarHBondContact O-CB 3.34Å; A87-H90 PolarHBondContact O-N 3.47Å; V88-H90 VanDerWaalsContact C-N 3.34Å; H90-H92 VanDerWaalsContact C-N 3.32Å; H90-H92 PolarHBondContact O-N 2.92Å; H90-S93 PolarHBondContact O-N 2.89Å; H90-S93 PolarHBondContact O-OG 2.77Å; H90-H94 AromaticContact CD2-CE1 3.85Å; H90-H94 AromaticContact CE1-CE1 3.61Å; H90-H94 AromaticContact NE2-CE1 3.46Å; H90-H94 PolarHBondContact NE2-CE1 3.09Å; H90-H94 PolarHBondContact O-CE1 3.23Å; H90-H94 VanDerWaalsContact O-CE1 3.3Å; H90-H94 PolarHBondContact O-ND1 2.98Å
91L97.2Very high94.9Very high15 Ų1582.4 Ų82.48%0.07941%0.41CS..Hα-helixtrans-58.6-42.3177.9-67.7177.5000112.6A25 A87 V88 D89 S93 H94 I98 H100A25-L91 HydrophobicContact CB-CD2 3.42Å; A25-L91 VanDerWaalsContact CB-CD2 3.42Å; A87-L91 VanDerWaalsContact O-CG 3.31Å; A87-L91 WeakPolarHBondContact O-CG 3.17Å; A87-L91 PolarHBondContact O-N 2.92Å; V88-L91 PolarHBondContact O-N 2.77Å; D89-L91 PolarHBondContact O-N 3.39Å; L91-S93 VanDerWaalsContact C-N 3.32Å; L91-S93 PolarHBondContact O-N 2.88Å; L91-H94 PolarHBondContact O-N 3.09Å; L91-H94 PolarHBondContact O-ND1 3.11Å; L91-I98 HydrophobicContact CB-CB 4.25Å; L91-I98 WeakPolarHBondContact CB-O 3.44Å; L91-I98 HydrophobicContact CD2-CB 4.3Å; L91-I98 HydrophobicContact CD2-CG2 4.06Å; L91-I98 PolarHBondContact O-N 2.75Å; L91-H100 HydrophobicContact CD1-CB 4.2Å
92H97.6Very high94.6Very high91 Ų9182.4 Ų82.442%0.42141%0.414SS..Hα-helixtrans-72.3-24.3-179.6-68.9172.5000113.3V88 D89 H90 H94 P97 I98V88-H92 WeakPolarHBondContact CG1-CE1 3.38Å; V88-H92 WeakPolarHBondContact O-CB 3.41Å; V88-H92 VanDerWaalsContact O-CG 3.25Å; V88-H92 PolarHBondContact O-N 3.04Å; D89-H92 PolarHBondContact O-N 3.36Å; H90-H92 VanDerWaalsContact C-N 3.32Å; H90-H92 PolarHBondContact O-N 2.92Å; H92-H94 PolarHBondContact O-N 2.87Å; H92-P97 WeakPolarHBondContact O-CB 3.3Å; H92-I98 PolarHBondContact CD2-O 2.83Å
93S97Very high93.9Very high76 Ų7677.4 Ų77.453%0.53140%0.397SS..Hα-helixtrans-70.8-13.2177.178.40000114.4D89 H90 L91D89-S93 WeakPolarHBondContact O-CB 3.49Å; D89-S93 PolarHBondContact O-N 3.03Å; H90-S93 PolarHBondContact O-N 2.89Å; H90-S93 PolarHBondContact O-OG 2.77Å; L91-S93 VanDerWaalsContact C-N 3.32Å; L91-S93 PolarHBondContact O-N 2.88Å
94H96.6Very high92.9Very high36 Ų3680.6 Ų80.617%0.16741%0.41CS..SBendtrans-65.9159.1178-71.564.7000111.9E24 H90 L91 H92 P96 P97 I98E24-H94 PolarHBondContact O-NE2 2.81Å; H90-H94 AromaticContact CD2-CE1 3.85Å; H90-H94 AromaticContact CE1-CE1 3.61Å; H90-H94 AromaticContact NE2-CE1 3.46Å; H90-H94 PolarHBondContact NE2-CE1 3.09Å; H90-H94 PolarHBondContact O-CE1 3.23Å; H90-H94 VanDerWaalsContact O-CE1 3.3Å; H90-H94 PolarHBondContact O-ND1 2.98Å; L91-H94 PolarHBondContact O-N 3.09Å; L91-H94 PolarHBondContact O-ND1 3.11Å; H92-H94 PolarHBondContact O-N 2.87Å; H94-P96 CarbonylContact C-O 3.51Å; H94-P96 VanDerWaalsContact C-O 3.25Å; H94-P96 WeakPolarHBondContact CB-O 3.46Å; H94-P96 CarbonylContact O-C 3.12Å; H94-P97 VanDerWaalsContact O-CA 3.29Å; H94-P97 WeakPolarHBondContact O-CA 3.12Å; H94-P97 WeakPolarHBondContact O-CD 3.24Å; H94-I98 HydrophobicContact CB-CD1 4.24Å; H94-I98 HydrophobicContact CB-CG1 4.1Å
95K94.2Very high91.4Very high205 Ų20581.1 Ų81.189%0.89142%0.419SS*.SBendtrans-126.6101.6176.2-66.1-177.3-175.7177.20109.6
96P94.3Very high89.8Confident111 Ų11181.1 Ų81.172%0.72142%0.418SS*.SBendcis-71.71581.431.7-36.2000113.2H94H94-P96 CarbonylContact C-O 3.51Å; H94-P96 VanDerWaalsContact C-O 3.25Å; H94-P96 WeakPolarHBondContact CB-O 3.46Å; H94-P96 CarbonylContact O-C 3.12Å
97P95.8Very high88.2Confident82 Ų8281.9 Ų81.953%0.53242%0.418SS..PPolyproline II helixtrans-59.1137.3176.4-26.835.9000112.3H92 H94H92-P97 WeakPolarHBondContact O-CB 3.3Å; H94-P97 VanDerWaalsContact O-CA 3.29Å; H94-P97 WeakPolarHBondContact O-CA 3.12Å; H94-P97 WeakPolarHBondContact O-CD 3.24Å
98I96Very high86.4Confident26 Ų2686.7 Ų86.713%0.13344%0.439CS..PPolyproline II helixtrans-91.6119.7174.7-61.8171.3000108.5I21 E24 A25 L91 H92 H94I21-I98 HydrophobicContact CG2-CD1 4.49Å; I21-I98 HydrophobicContact CG2-CG2 3.78Å; E24-I98 HydrophobicContact CB-CD1 4.11Å; A25-I98 HydrophobicContact CB-CD1 4.34Å; L91-I98 HydrophobicContact CB-CB 4.25Å; L91-I98 WeakPolarHBondContact CB-O 3.44Å; L91-I98 HydrophobicContact CD2-CB 4.3Å; L91-I98 HydrophobicContact CD2-CG2 4.06Å; L91-I98 PolarHBondContact O-N 2.75Å; H92-I98 PolarHBondContact CD2-O 2.83Å; H94-I98 HydrophobicContact CB-CD1 4.24Å; H94-I98 HydrophobicContact CB-CG1 4.1Å
99I92.9Very high84.5Confident116 Ų11690.5 Ų90.560%0.59545%0.451SS*.PPolyproline II helixtrans-101116.9176.4-52.7173.2000108.4R101I99-R101 VanDerWaalsContact C-N 3.28Å; I99-R101 HydrophobicContact CB-CG 4.17Å; I99-R101 HydrophobicContact CG2-CG 3.65Å; I99-R101 PolarHBondContact O-N 2.92Å
100H88.6Confident82.7Confident95 Ų9585.5 Ų85.544%0.4442%0.424SS..  trans-62.7-34.3179.5-171.8-53.2000112.6L91 D102 L103L91-H100 HydrophobicContact CD1-CB 4.2Å; H100-D102 PolarHBondContact ND1-N 2.62Å; H100-D102 PolarHBondContact O-N 2.81Å; H100-L103 HydrophobicContact CB-CD2 4.05Å; H100-L103 HydrophobicContact CB-CG 4.1Å
101R86.6Confident80.6Confident228 Ų22889.7 Ų89.786%0.8645%0.448SS*.SBendtrans63.7-9.3179.4-61-170.3-64.1171.71.7117.7I99I99-R101 VanDerWaalsContact C-N 3.28Å; I99-R101 HydrophobicContact CB-CG 4.17Å; I99-R101 HydrophobicContact CG2-CG 3.65Å; I99-R101 PolarHBondContact O-N 2.92Å
102D84.8Confident78.4Confident98 Ų9892.5 Ų92.552%0.52447%0.469SS..  trans-138.639.9-176.8-162.424.3000113.7H100 K104H100-D102 PolarHBondContact ND1-N 2.62Å; H100-D102 PolarHBondContact O-N 2.81Å; D102-K104 PolarHBondContact O-N 2.72Å
103L81.3Confident76Confident52 Ų5291.2 Ų91.227%0.27247%0.47SS..THydrogen-bonded Turntrans-67.3-22.6176-65.4169.9000112.6I84 V88 H100 A105 T106 F107I84-L103 HydrophobicContact CG2-CD2 4.32Å; V88-L103 HydrophobicContact CG1-CD1 4.47Å; V88-L103 HydrophobicContact CG2-CD1 3.48Å; V88-L103 VanDerWaalsContact CG2-CD1 3.48Å; V88-L103 HydrophobicContact CG2-CD2 3.82Å; V88-L103 HydrophobicContact CG2-CG 4.31Å; H100-L103 HydrophobicContact CB-CD2 4.05Å; H100-L103 HydrophobicContact CB-CG 4.1Å; L103-A105 VanDerWaalsContact C-N 3.31Å; L103-A105 PolarHBondContact O-N 2.81Å; L103-T106 VanDerWaalsContact O-CB 3.28Å; L103-T106 WeakPolarHBondContact O-CB 3.29Å; L103-T106 PolarHBondContact O-N 2.89Å; L103-T106 VanDerWaalsContact O-N 3.13Å; L103-T106 PolarHBondContact O-OG1 2.96Å; L103-F107 HydrophobicContact CB-CE2 4.31Å; L103-F107 WeakPolarHBondContact O-CD2 3.47Å
104K74.3Confident73.2Confident158 Ų158100.6 Ų100.669%0.68750%0.501SS*.Hα-helixtrans-63.7-36.7-176.3-176173.9178.6175.50112D102 T106 F107 Q108D102-K104 PolarHBondContact O-N 2.72Å; K104-T106 PolarHBondContact O-N 2.77Å; K104-F107 PolarHBondContact O-N 3.34Å; K104-Q108 PolarHBondContact O-N 3.45Å
105A61Low72Confident45 Ų45103.8 Ų103.837%0.37252%0.518SS..Hα-helixtrans-55.9-35176.100000111.8L103L103-A105 VanDerWaalsContact C-N 3.31Å; L103-A105 PolarHBondContact O-N 2.81Å
106T62.6Low70.9Confident55 Ų5598.5 Ų98.534%0.33750%0.498SS..Hα-helixtrans-67.7-36.7176.2-44.60000112.5I84 L103 K104I84-T106 HydrophobicContact CD1-CG2 3.78Å; L103-T106 VanDerWaalsContact O-CB 3.28Å; L103-T106 WeakPolarHBondContact O-CB 3.29Å; L103-T106 PolarHBondContact O-N 2.89Å; L103-T106 VanDerWaalsContact O-N 3.13Å; L103-T106 PolarHBondContact O-OG1 2.96Å; K104-T106 PolarHBondContact O-N 2.77Å
107F63.8Low69.6Low43 Ų4397.8 Ų97.819%0.18949%0.486CS..Hα-helixtrans-92.6-23.8-174.2-66.9-64000115.2F81 I84 L103 K104 Y109 I110 N111F81-F107 HydrophobicContact CD2-CD1 4.33Å; F81-F107 AromaticContact CD2-CE1 3.43Å; F81-F107 HydrophobicContact CD2-CE1 3.43Å; F81-F107 VanDerWaalsContact CD2-CE1 3.43Å; F81-F107 AromaticContact CD2-CZ 3.7Å; F81-F107 HydrophobicContact CD2-CZ 3.7Å; F81-F107 AromaticContact CE2-CE1 3.95Å; F81-F107 HydrophobicContact CE2-CE1 3.95Å; F81-F107 AromaticContact CE2-CZ 3.82Å; F81-F107 HydrophobicContact CE2-CZ 3.82Å; I84-F107 HydrophobicContact CB-CZ 4.01Å; I84-F107 HydrophobicContact CD1-CD1 4.37Å; I84-F107 HydrophobicContact CD1-CE1 3.45Å; I84-F107 VanDerWaalsContact CD1-CE1 3.45Å; I84-F107 HydrophobicContact CD1-CZ 3.56Å; I84-F107 HydrophobicContact CG1-CZ 4.37Å; I84-F107 HydrophobicContact CG2-CE2 4.06Å; I84-F107 HydrophobicContact CG2-CZ 3.58Å; L103-F107 HydrophobicContact CB-CE2 4.31Å; L103-F107 WeakPolarHBondContact O-CD2 3.47Å; K104-F107 PolarHBondContact O-N 3.34Å; F107-Y109 PolarHBondContact O-N 2.78Å; F107-Y109 VanDerWaalsContact O-N 3.12Å; F107-I110 HydrophobicContact CD1-CD1 4.08Å; F107-I110 PolarHBondContact O-N 2.75Å; F107-N111 PolarHBondContact O-N 3.02Å
108Q59.6Low68Low112 Ų11298.7 Ų98.752%0.52348%0.483SS..Hα-helixtrans-55.5-35.4-174.2-176.4170.7-0.900112.4K104 S112K104-Q108 PolarHBondContact O-N 3.45Å; Q108-S112 WeakPolarHBondContact O-CB 3.36Å; Q108-S112 PolarHBondContact O-N 3.38Å; Q108-S112 PolarHBondContact O-OG 3.07Å
109Y55.7Low66.3Low105 Ų105103.3 Ų103.341%0.41251%0.505SS..Hα-helixtrans-87.7-14.6-178.7-61-75.4000114.4L62 F107L62-Y109 HydrophobicContact CD1-CD1 3.42Å; L62-Y109 VanDerWaalsContact CD1-CD1 3.42Å; L62-Y109 HydrophobicContact CD1-CD2 3.93Å; L62-Y109 HydrophobicContact CD1-CE1 3.79Å; L62-Y109 HydrophobicContact CD1-CE2 4.25Å; L62-Y109 HydrophobicContact CD1-CG 3.49Å; L62-Y109 VanDerWaalsContact CD1-CG 3.49Å; L62-Y109 HydrophobicContact CD2-CE1 4.41Å; L62-Y109 HydrophobicContact CD2-CE2 4.19Å; F107-Y109 PolarHBondContact O-N 2.78Å; F107-Y109 VanDerWaalsContact O-N 3.12Å
110I58.9Low64.5Low10 Ų10102.4 Ų102.45%0.05150%0.499CS..Hα-helixtrans-75.7-33.9175.9-63.6176.4000110.1L65 L72 V77 F107L65-I110 HydrophobicContact CD1-CG1 4.45Å; L72-I110 HydrophobicContact CD1-CG2 4.47Å; V77-I110 HydrophobicContact CB-CG2 4.2Å; V77-I110 HydrophobicContact CG1-CG2 3.66Å; V77-I110 HydrophobicContact CG2-CG2 3.49Å; V77-I110 VanDerWaalsContact CG2-CG2 3.49Å; F107-I110 HydrophobicContact CD1-CD1 4.08Å; F107-I110 PolarHBondContact O-N 2.75Å
111N53.5Low62.8Low124 Ų124102.9 Ų102.966%0.66350%0.503SS*.Hα-helixtrans-100.2-12.8-174.4-74.7-50.7000115.2F107 S113F107-N111 PolarHBondContact O-N 3.02Å; N111-S113 PolarHBondContact O-N 2.96Å
112S52Low60.9Low75 Ų7593.3 Ų93.352%0.52448%0.476SS..  trans-79.848.4-171.557.90000113.9Q108Q108-S112 WeakPolarHBondContact O-CB 3.36Å; Q108-S112 PolarHBondContact O-N 3.38Å; Q108-S112 PolarHBondContact O-OG 3.07Å
113S45.8Very low58.9Low63 Ų6392.9 Ų92.944%0.44147%0.472SS..  trans-140.565.1169.4-51.60000111.5P71 N111P71-S113 WeakPolarHBondContact CB-OG 3.35Å; P71-S113 VanDerWaalsContact CG-OG 3.31Å; P71-S113 WeakPolarHBondContact CG-OG 3.2Å; N111-S113 PolarHBondContact O-N 2.96Å
114K38.7Very low56.9Low273 Ų27396.6 Ų96.6100%1.18749%0.49SS*.  trans-1270146.5-72.4-173.9177.3-178.30106.2

Retrieved 114 of 114 residues in 53.1 ms (Link to these results)

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