A0A3Q0KDU9_SCHMA Loading...

Putative phosphoglycolate/pyridoxal phosphate phosphatase

AlphaFold DB , UniProt , Accession A0A3Q0KDU9, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 292 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
1M56.8Low80.5Confident184 Ų18478.4 Ų78.491%0.90641%0.405SS*.  0-51.10-84.9-179-92.700112.8K3 V4 A5M1-K3 PolarHBondContact O-N 2.78Å; M1-V4 PolarHBondContact O-N 3.06Å; M1-V4 VanDerWaalsContact O-N 3.14Å; M1-A5 PolarHBondContact O-N 3.49Å; M1-A5 VanDerWaalsContact O-N 3.11Å
2T61.7Low81.9Confident97 Ų9771.8 Ų71.860%0.59537%0.371SS*.Hα-helixtrans-53.2-44.2-177.1270000115.4V4 A5 S6T2-V4 VanDerWaalsContact C-N 3.33Å; T2-V4 PolarHBondContact O-N 3.14Å; T2-A5 PolarHBondContact O-N 2.95Å; T2-S6 WeakPolarHBondContact O-CB 3.12Å; T2-S6 PolarHBondContact O-N 3.43Å
3K65Low83Confident188 Ų18873.2 Ų73.282%0.81738%0.375SS*.Hα-helixtrans-59.5-40.5177.9-72.7-171.2177.3-177.10113.4M1 S6 A7M1-K3 PolarHBondContact O-N 2.78Å; K3-S6 PolarHBondContact O-N 2.99Å; K3-A7 PolarHBondContact O-N 3.34Å; K3-A7 VanDerWaalsContact O-N 3.17Å
4V72.6Confident84.1Confident84 Ų8468.2 Ų68.251%0.50935%0.35SS..Hα-helixtrans-73.2-41.2-179.1-171.70000110.2M1 T2 S6 A7 V8 Y278M1-V4 PolarHBondContact O-N 3.06Å; M1-V4 VanDerWaalsContact O-N 3.14Å; T2-V4 VanDerWaalsContact C-N 3.33Å; T2-V4 PolarHBondContact O-N 3.14Å; V4-S6 VanDerWaalsContact C-N 3.28Å; V4-S6 PolarHBondContact O-N 3.48Å; V4-A7 PolarHBondContact O-N 2.63Å; V4-V8 PolarHBondContact O-N 2.92Å; V4-V8 VanDerWaalsContact O-N 3.14Å; V4-Y278 HydrophobicContact CB-CE1 3.97Å; V4-Y278 HydrophobicContact CG1-CE1 3.71Å; V4-Y278 VanDerWaalsContact CG1-OH 3.27Å; V4-Y278 WeakPolarHBondContact CG1-OH 3.32Å
5A79.1Confident85.1Confident2 Ų263.7 Ų63.72%0.01733%0.327CS..Hα-helixtrans-59-41.1173.400000111.6M1 T2 V8 L9 Y278M1-A5 PolarHBondContact O-N 3.49Å; M1-A5 VanDerWaalsContact O-N 3.11Å; T2-A5 PolarHBondContact O-N 2.95Å; A5-V8 PolarHBondContact O-N 3.46Å; A5-L9 WeakPolarHBondContact O-CB 3.32Å; A5-L9 VanDerWaalsContact O-CG 3.27Å; A5-L9 WeakPolarHBondContact O-CG 3.45Å; A5-L9 PolarHBondContact O-N 3.04Å; A5-Y278 HydrophobicContact CB-CD1 3.85Å; A5-Y278 HydrophobicContact CB-CE1 4.3Å; A5-Y278 HydrophobicContact CB-CG 4.14Å
6S86.3Confident85.9Confident17 Ų1759.7 Ų59.712%0.11931%0.306CS..Hα-helixtrans-61.1-45.5176.4-171.20000112.8T2 K3 V4 V8 L9 R10 I289T2-S6 WeakPolarHBondContact O-CB 3.12Å; T2-S6 PolarHBondContact O-N 3.43Å; K3-S6 PolarHBondContact O-N 2.99Å; V4-S6 VanDerWaalsContact C-N 3.28Å; V4-S6 PolarHBondContact O-N 3.48Å; S6-V8 VanDerWaalsContact C-N 3.34Å; S6-V8 PolarHBondContact O-N 3.46Å; S6-L9 PolarHBondContact O-N 3.28Å; S6-R10 VanDerWaalsContact O-CG 3.27Å; S6-R10 WeakPolarHBondContact O-CG 3.5Å; S6-R10 PolarHBondContact O-N 3.19Å; S6-R10 PolarHBondContact OG-NE 3.31Å; S6-R10 VanDerWaalsContact OG-NE 3.12Å; S6-R10 PolarHBondContact OG-NH2 3.07Å; S6-I289 VanDerWaalsContact CA-CG2 3.44Å
7A90.1Very high86.7Confident55 Ų5556.2 Ų56.246%0.45529%0.288SS..Hα-helixtrans-59.7-46.1177.400000111.4K3 V4 R10 I11K3-A7 PolarHBondContact O-N 3.34Å; K3-A7 VanDerWaalsContact O-N 3.17Å; V4-A7 PolarHBondContact O-N 2.63Å; A7-R10 PolarHBondContact O-N 3.49Å; A7-I11 WeakPolarHBondContact O-CG2 3.2Å; A7-I11 PolarHBondContact O-N 3.06Å; A7-I11 VanDerWaalsContact O-N 3.16Å
8V91.2Very high87.3Confident11 Ų1153.8 Ų53.87%0.06728%0.276CS..Hα-helixtrans-61.2-51.3177.2168.40000111.8V4 A5 S6 R10 I11 C12 H248 Y278V4-V8 PolarHBondContact O-N 2.92Å; V4-V8 VanDerWaalsContact O-N 3.14Å; A5-V8 PolarHBondContact O-N 3.46Å; S6-V8 VanDerWaalsContact C-N 3.34Å; S6-V8 PolarHBondContact O-N 3.46Å; V8-R10 PolarHBondContact O-N 3.39Å; V8-I11 WeakPolarHBondContact O-CG1 3.46Å; V8-I11 PolarHBondContact O-N 3.19Å; V8-I11 VanDerWaalsContact O-N 3.17Å; V8-C12 PolarHBondContact O-N 3.01Å; V8-C12 PolarHBondContact O-SG 3.18Å; V8-H248 HydrophobicContact CG1-CB 3.66Å; V8-H248 WeakPolarHBondContact CG1-ND1 3.48Å; V8-Y278 HydrophobicContact CB-CE2 4.12Å; V8-Y278 HydrophobicContact CG1-CE2 4.12Å; V8-Y278 HydrophobicContact CG2-CE2 3.86Å; V8-Y278 WeakPolarHBondContact CG2-OH 3.25Å
9L95Very high87.9Confident0 Ų051.1 Ų51.10%026%0.262CS..Hα-helixtrans-59-32.2-179.2-74.1171.4000112.6A5 S6 F15 I250 I286 I289 L290A5-L9 WeakPolarHBondContact O-CB 3.32Å; A5-L9 VanDerWaalsContact O-CG 3.27Å; A5-L9 WeakPolarHBondContact O-CG 3.45Å; A5-L9 PolarHBondContact O-N 3.04Å; S6-L9 PolarHBondContact O-N 3.28Å; L9-F15 HydrophobicContact CD2-CE1 3.85Å; L9-I250 HydrophobicContact CD2-CD1 3.62Å; L9-I250 HydrophobicContact CG-CD1 4.18Å; L9-I286 HydrophobicContact CD1-CG2 4.08Å; L9-I286 HydrophobicContact CD2-CG2 3.8Å; L9-I289 HydrophobicContact CD1-CB 4.07Å; L9-I289 HydrophobicContact CD1-CD1 4.25Å; L9-I289 HydrophobicContact CD1-CG2 3.74Å; L9-L290 HydrophobicContact CB-CD2 3.88Å; L9-L290 HydrophobicContact CB-CG 4.44Å
10R92.6Very high88.3Confident130 Ų13050.2 Ų50.249%0.49126%0.258SS..Hα-helixtrans-75.8-37.3178-70.3175.3-162-121.8-7.2113.3S6 A7 V8 E292S6-R10 VanDerWaalsContact O-CG 3.27Å; S6-R10 WeakPolarHBondContact O-CG 3.5Å; S6-R10 PolarHBondContact O-N 3.19Å; S6-R10 PolarHBondContact OG-NE 3.31Å; S6-R10 VanDerWaalsContact OG-NE 3.12Å; S6-R10 PolarHBondContact OG-NH2 3.07Å; A7-R10 PolarHBondContact O-N 3.49Å; V8-R10 PolarHBondContact O-N 3.39Å; R10-E292 PolarHBondContact NH1-OXT 2.98Å; R10-E292 PolarHBondContact NH2-OXT 3.48Å
11I94.7Very high88.6Confident94 Ų9448 Ų4848%0.48225%0.248SC..Hα-helixtrans-76.7-25178.465168.4000112.6A7 V8 E13A7-I11 WeakPolarHBondContact O-CG2 3.2Å; A7-I11 PolarHBondContact O-N 3.06Å; A7-I11 VanDerWaalsContact O-N 3.16Å; V8-I11 WeakPolarHBondContact O-CG1 3.46Å; V8-I11 PolarHBondContact O-N 3.19Å; V8-I11 VanDerWaalsContact O-N 3.17Å; I11-E13 PolarHBondContact O-N 2.82Å
12C97.2Very high90.6Very high0 Ų039.2 Ų39.20%020%0.204CC..  trans-64.7133.1-179-69.60000111.9V8 F15 K45 K227 V229V8-C12 PolarHBondContact O-N 3.01Å; V8-C12 PolarHBondContact O-SG 3.18Å; C12-F15 HydrophobicContact CB-CE2 3.97Å; C12-F15 HydrophobicContact CB-CZ 3.89Å; C12-K45 WeakPolarHBondContact O-CE 3.37Å; C12-K45 PolarHBondContact O-NZ 2.99Å; C12-K227 CarbonylContact C-O 3.6Å; C12-K227 VanDerWaalsContact CA-O 3.24Å; C12-K227 WeakPolarHBondContact CA-O 3.28Å; C12-V229 HydrophobicContact CB-CG1 4.21Å
13E97.1Very high92.3Very high89 Ų8934.6 Ų34.642%0.41618%0.176SC..SBendtrans-102.4-28.1174.8-69.2172.5-166.600110.9I11 K45 N46 K227I11-E13 PolarHBondContact O-N 2.82Å; E13-K45 WeakPolarHBondContact O-CA 3.37Å; E13-N46 PolarHBondContact O-N 2.95Å; E13-K227 HydrophobicContact CB-CB 4.43Å; E13-K227 VanDerWaalsContact CD-CD 3.47Å; E13-K227 HydrophobicContact CG-CB 4.49Å; E13-K227 HydrophobicContact CG-CD 4.09Å; E13-K227 PolarHBondContact N-O 3.15Å; E13-K227 VanDerWaalsContact OE1-CD 3.27Å; E13-K227 WeakPolarHBondContact OE1-CD 3.47Å; E13-K227 IonicContact OE1-NZ 2.62Å; E13-K227 PolarHBondContact OE1-NZ 3.31Å; E13-K227 IonicContact OE2-NZ 2.63Å
14T98.3Very high93.9Very high4 Ų425.7 Ų25.73%0.02514%0.137CC..EExtended strand (participates in β ladder)trans-119131.7179.8-57.60000111.3L16 N46 F48 K227 T228 V229T14-L16 HydrophobicContact CG2-CD2 3.89Å; T14-N46 CarbonylContact C-O 3.59Å; T14-N46 WeakPolarHBondContact CA-O 3.45Å; T14-N46 HydrophobicContact CG2-CB 3.99Å; T14-N46 PolarHBondContact OG1-ND2 3.28Å; T14-F48 HydrophobicContact CG2-CD2 4.03Å; T14-F48 HydrophobicContact CG2-CE2 4.07Å; T14-K227 PolarHBondContact N-O 3.09Å; T14-K227 VanDerWaalsContact N-O 3.17Å; T14-T228 HydrophobicContact CG2-CG2 3.97Å; T14-T228 WeakPolarHBondContact O-CA 3.38Å; T14-V229 PolarHBondContact O-N 3.15Å
15F98.4Very high94.9Very high0 Ų025.3 Ų25.30%013%0.132CC..EExtended strand (participates in β ladder)trans-121.8118.9179.5-68.2-105.2000109.2L9 C12 F17 L40 K45 N46 V47 F48 V229L9-F15 HydrophobicContact CD2-CE1 3.85Å; C12-F15 HydrophobicContact CB-CE2 3.97Å; C12-F15 HydrophobicContact CB-CZ 3.89Å; F15-F17 HydrophobicContact CB-CD2 4.23Å; F15-F17 HydrophobicContact CB-CE2 3.48Å; F15-F17 VanDerWaalsContact CB-CE2 3.48Å; F15-F17 HydrophobicContact CB-CZ 4.03Å; F15-F17 HydrophobicContact CD1-CE2 4.38Å; F15-F17 HydrophobicContact CD1-CZ 4.08Å; F15-F17 HydrophobicContact CG-CE2 4.32Å; F15-F17 HydrophobicContact CG-CZ 4.47Å; F15-L40 HydrophobicContact CB-CD1 4.19Å; F15-L40 HydrophobicContact CD1-CD1 3.93Å; F15-L40 HydrophobicContact CD1-CD2 4.16Å; F15-L40 HydrophobicContact CD2-CD1 4.34Å; F15-L40 HydrophobicContact CD2-CD2 3.95Å; F15-L40 HydrophobicContact CE1-CD1 4.41Å; F15-L40 HydrophobicContact CE1-CD2 3.89Å; F15-L40 HydrophobicContact CE2-CD2 3.68Å; F15-L40 HydrophobicContact CG-CD1 3.9Å; F15-L40 HydrophobicContact CG-CD2 4.2Å; F15-L40 HydrophobicContact CZ-CD2 3.65Å; F15-K45 HydrophobicContact CD2-CB 4.05Å; F15-K45 HydrophobicContact CD2-CG 4.42Å; F15-K45 HydrophobicContact CE2-CB 4.14Å; F15-K45 HydrophobicContact CE2-CD 4.12Å; F15-K45 HydrophobicContact CE2-CG 4.01Å; F15-N46 PolarHBondContact N-O 3.4Å; F15-V47 WeakPolarHBondContact O-CA 3.15Å; F15-F48 PolarHBondContact O-N 3.28Å; F15-V229 HydrophobicContact CB-CG1 4.37Å; F15-V229 HydrophobicContact CD1-CG1 3.35Å; F15-V229 HydrophobicContact CE1-CG1 3.68Å; F15-V229 HydrophobicContact CG-CG1 3.9Å; F15-V229 HydrophobicContact CZ-CG1 4.45Å
16L98.7Very high95.4Very high0 Ų029 Ų290%016%0.159CC..EExtended strand (participates in β ladder)trans-105.2125.7174.1-48.2-178.7000107.7T14 F48 I50 L217 T228 V229 M230 V231 F241 L247T14-L16 HydrophobicContact CG2-CD2 3.89Å; L16-F48 WeakPolarHBondContact CA-O 3.37Å; L16-F48 HydrophobicContact CD2-CB 3.79Å; L16-F48 HydrophobicContact CD2-CD2 3.72Å; L16-F48 HydrophobicContact CD2-CG 4.11Å; L16-I50 HydrophobicContact CB-CD1 4.02Å; L16-I50 HydrophobicContact CB-CG1 4.47Å; L16-I50 HydrophobicContact CD1-CD1 4.26Å; L16-L217 HydrophobicContact CD1-CD1 3.93Å; L16-L217 HydrophobicContact CD2-CD1 4.39Å; L16-L217 HydrophobicContact CD2-CD2 3.86Å; L16-T228 HydrophobicContact CD1-CG2 3.99Å; L16-T228 HydrophobicContact CG-CG2 3.98Å; L16-V229 PolarHBondContact N-O 3.46Å; L16-M230 HydrophobicContact CB-SD 3.63Å; L16-V231 PolarHBondContact O-N 2.95Å; L16-F241 HydrophobicContact CD1-CE1 4.26Å; L16-L247 HydrophobicContact CD1-CD1 3.76Å
17F98.8Very high95.6Very high0 Ų033.9 Ų33.90%018%0.183CC..EExtended strand (participates in β ladder)trans-117.9130.4177.7-66-86000109.3F15 V22 I23 L36 I37 L40 V47 F48 L49 I50 V231 V283 I286F15-F17 HydrophobicContact CB-CD2 4.23Å; F15-F17 HydrophobicContact CB-CE2 3.48Å; F15-F17 VanDerWaalsContact CB-CE2 3.48Å; F15-F17 HydrophobicContact CB-CZ 4.03Å; F15-F17 HydrophobicContact CD1-CE2 4.38Å; F15-F17 HydrophobicContact CD1-CZ 4.08Å; F15-F17 HydrophobicContact CG-CE2 4.32Å; F15-F17 HydrophobicContact CG-CZ 4.47Å; F17-V22 HydrophobicContact CD1-CG1 4.29Å; F17-I23 HydrophobicContact CB-CD1 4Å; F17-I23 HydrophobicContact CB-CG1 4.04Å; F17-I23 HydrophobicContact CD1-CD1 3.99Å; F17-I23 HydrophobicContact CG-CD1 4.01Å; F17-L36 HydrophobicContact CE1-CD2 3.82Å; F17-L36 HydrophobicContact CZ-CD2 3.88Å; F17-L36 HydrophobicContact CZ-CG 4.42Å; F17-I37 HydrophobicContact CD2-CD1 3.95Å; F17-I37 HydrophobicContact CE2-CD1 3.94Å; F17-L40 HydrophobicContact CE2-CD1 3.73Å; F17-L40 HydrophobicContact CZ-CD1 3.69Å; F17-V47 HydrophobicContact CD2-CG1 4.16Å; F17-V47 HydrophobicContact CE2-CG1 4.14Å; F17-F48 PolarHBondContact N-O 3.15Å; F17-L49 HydrophobicContact CB-CD2 4.03Å; F17-L49 CarbonylContact O-C 3.51Å; F17-L49 WeakPolarHBondContact O-CA 3.35Å; F17-I50 PolarHBondContact O-N 3.34Å; F17-V231 WeakPolarHBondContact CA-O 3.18Å; F17-V231 HydrophobicContact CD1-CB 3.58Å; F17-V231 HydrophobicContact CD1-CG1 3.9Å; F17-V231 HydrophobicContact CD1-CG2 3.95Å; F17-V231 HydrophobicContact CE1-CB 3.82Å; F17-V231 HydrophobicContact CE1-CG1 4.03Å; F17-V231 HydrophobicContact CE1-CG2 3.68Å; F17-V231 HydrophobicContact CG-CB 4.43Å; F17-V231 HydrophobicContact CZ-CG2 4.36Å; F17-V283 HydrophobicContact CE1-CG1 4.46Å; F17-I286 HydrophobicContact CE1-CD1 4.42Å
18D98.4Very high95.9Very high13 Ų1336.2 Ų36.27%0.0719%0.191CC..  trans-60.6162.5155-171.263.9000110.4D20 V22 I23 I50 K208 M230 V231D18-D20 PolarHBondContact OD2-N 3.33Å; D18-D20 VanDerWaalsContact OD2-N 3.09Å; D18-D20 VanDerWaalsContact OD2-O 3.13Å; D18-V22 HydrophobicContact CB-CB 4.39Å; D18-V22 HydrophobicContact CB-CG2 3.86Å; D18-V22 WeakPolarHBondContact O-CB 3.27Å; D18-I23 WeakPolarHBondContact O-CG1 3.34Å; D18-I50 WeakPolarHBondContact CA-O 3.41Å; D18-K208 IonicContact OD1-NZ 2.76Å; D18-K208 PolarHBondContact OD1-NZ 3.16Å; D18-M230 HydrophobicContact CB-CE 4.17Å; D18-V231 PolarHBondContact N-O 3.22Å
19C98Very high96.2Very high2 Ų237.6 Ų37.61%0.01420%0.198CC..SBendtrans-98.2-65.5-176.6-75.50000112.3G21 V22 I23 W24C19-G21 PolarHBondContact O-N 3.3Å; C19-V22 PolarHBondContact O-N 3.17Å; C19-I23 PolarHBondContact O-N 3.11Å; C19-W24 HydrophobicContact CB-CH2 4Å; C19-W24 HydrophobicContact CB-CZ2 3.35Å; C19-W24 PolarHBondContact O-N 3.11Å; C19-W24 VanDerWaalsContact O-N 3.1Å; C19-W24 VanDerWaalsContact SG-CZ2 3.56Å
20D95.5Very high96.3Very high33 Ų3338 Ų3818%0.17620%0.201CC..BIsolated β-bridgetrans-83.7117-167.8-71-60.5000108.5D18 W24D18-D20 PolarHBondContact OD2-N 3.33Å; D18-D20 VanDerWaalsContact OD2-N 3.09Å; D18-D20 VanDerWaalsContact OD2-O 3.13Å; D20-W24 CarbonylContact C-O 3.6Å; D20-W24 WeakPolarHBondContact CA-O 3.41Å; D20-W24 VanDerWaalsContact OD1-CD1 3.24Å; D20-W24 PolarHBondContact OD1-NE1 3.14Å
21G95.5Very high96.6Very high4 Ų436.2 Ų36.24%0.04121%0.205CC..THydrogen-bonded Turntrans92.6-7.5-172.200000114.2C19 W24 N25 T254C19-G21 PolarHBondContact O-N 3.3Å; G21-W24 PolarHBondContact N-O 3.35Å; G21-N25 WeakPolarHBondContact CA-OD1 3.49Å; G21-N25 PolarHBondContact N-OD1 3.18Å; G21-T254 CarbonylContact O-C 3.41Å; G21-T254 VanDerWaalsContact O-CB 3.23Å; G21-T254 WeakPolarHBondContact O-CB 3.29Å; G21-T254 PolarHBondContact O-OG1 2.67Å
22V98.2Very high96.7Very high0 Ų033.9 Ų33.90%020%0.197CC..THydrogen-bonded Turntrans-122-55.1-178.2-179.90000112.7F17 D18 C19 I30 V231 D233 V252 V283F17-V22 HydrophobicContact CD1-CG1 4.29Å; D18-V22 HydrophobicContact CB-CB 4.39Å; D18-V22 HydrophobicContact CB-CG2 3.86Å; D18-V22 WeakPolarHBondContact O-CB 3.27Å; C19-V22 PolarHBondContact O-N 3.17Å; V22-I30 WeakPolarHBondContact O-CG1 3.49Å; V22-V231 HydrophobicContact CG1-CG1 4.04Å; V22-D233 HydrophobicContact CG2-CB 3.86Å; V22-V252 HydrophobicContact CB-CG2 4.27Å; V22-V252 HydrophobicContact CG1-CG2 4.11Å; V22-V252 HydrophobicContact CG2-CG2 3.73Å; V22-V283 HydrophobicContact CG1-CG1 3.81Å
23I98.5Very high96.8Very high0 Ų033.9 Ų33.90%020%0.197CC..THydrogen-bonded Turntrans-95.2-37.1178-61-63.6000110.4F17 D18 C19 L29 I30 A33 I37 L49 L70F17-I23 HydrophobicContact CB-CD1 4Å; F17-I23 HydrophobicContact CB-CG1 4.04Å; F17-I23 HydrophobicContact CD1-CD1 3.99Å; F17-I23 HydrophobicContact CG-CD1 4.01Å; D18-I23 WeakPolarHBondContact O-CG1 3.34Å; C19-I23 PolarHBondContact O-N 3.11Å; I23-L29 HydrophobicContact CG2-CD2 4.14Å; I23-L29 WeakPolarHBondContact O-CD2 3.32Å; I23-I30 PolarHBondContact O-N 3.44Å; I23-A33 HydrophobicContact CD1-CB 4.48Å; I23-A33 HydrophobicContact CG2-CB 4.23Å; I23-A33 WeakPolarHBondContact O-CB 3.46Å; I23-I37 HydrophobicContact CD1-CD1 4.05Å; I23-I37 HydrophobicContact CD1-CG1 4.31Å; I23-L49 HydrophobicContact CD1-CD2 4.42Å; I23-L49 HydrophobicContact CG1-CD2 4.07Å; I23-L70 HydrophobicContact CG2-CD1 3.63Å
24W97.3Very high96.9Very high1 Ų134 Ų340%0.00420%0.198CC..EExtended strand (participates in β ladder)trans-145.8157.8177.954.865.6000112C19 D20 G21 V28 L29 L49 K64 L68 L70C19-W24 HydrophobicContact CB-CH2 4Å; C19-W24 HydrophobicContact CB-CZ2 3.35Å; C19-W24 PolarHBondContact O-N 3.11Å; C19-W24 VanDerWaalsContact O-N 3.1Å; C19-W24 VanDerWaalsContact SG-CZ2 3.56Å; D20-W24 CarbonylContact C-O 3.6Å; D20-W24 WeakPolarHBondContact CA-O 3.41Å; D20-W24 VanDerWaalsContact OD1-CD1 3.24Å; D20-W24 PolarHBondContact OD1-NE1 3.14Å; G21-W24 PolarHBondContact N-O 3.35Å; W24-V28 CarbonylContact C-O 3.6Å; W24-V28 WeakPolarHBondContact CA-O 3.45Å; W24-V28 VanDerWaalsContact CB-O 3.31Å; W24-V28 WeakPolarHBondContact CB-O 3.23Å; W24-L29 HydrophobicContact CB-CD2 4.44Å; W24-L49 HydrophobicContact CH2-CD1 4.21Å; W24-L49 HydrophobicContact CZ3-CD1 4.1Å; W24-K64 VanDerWaalsContact CD1-NZ 3.34Å; W24-K64 HydrophobicContact CZ2-CD 4.28Å; W24-L68 HydrophobicContact CB-CD1 4.38Å; W24-L68 HydrophobicContact CD2-CD1 4.19Å; W24-L68 HydrophobicContact CE3-CD1 3.74Å; W24-L68 HydrophobicContact CG-CD1 4.46Å; W24-L68 HydrophobicContact CZ3-CD1 4.44Å; W24-L70 HydrophobicContact CE3-CD1 3.99Å; W24-L70 HydrophobicContact CZ3-CD1 3.73Å
25N93.6Very high96.9Very high76 Ų7636 Ų3641%0.40622%0.215SC..EExtended strand (participates in β ladder)trans-108.9110.5159-77.8-32.8000108.2G21 N27 V28 I30G21-N25 WeakPolarHBondContact CA-OD1 3.49Å; G21-N25 PolarHBondContact N-OD1 3.18Å; N25-N27 PolarHBondContact O-N 3.45Å; N25-V28 PolarHBondContact N-O 3.29Å; N25-V28 PolarHBondContact O-N 3.17Å; N25-I30 WeakPolarHBondContact ND2-CD1 3.38Å
26S89.5Confident96.9Very high81 Ų8136 Ų3657%0.56622%0.215SC*.THydrogen-bonded Turntrans55.2-99.5-173.7-52.60000112.5K64S26-K64 WeakPolarHBondContact O-CE 3.24Å; S26-K64 PolarHBondContact O-NZ 2.91Å
27N91.3Very high96.9Very high118 Ų11836 Ų3663%0.63122%0.215SC*.THydrogen-bonded Turntrans-116.212.2-179.7-64.7-33.8000112.8N25 L68N25-N27 PolarHBondContact O-N 3.45Å; N27-L68 VanDerWaalsContact O-CD2 3.26Å; N27-L68 WeakPolarHBondContact O-CD2 3.5Å
28V95.5Very high96.8Very high104 Ų10439.6 Ų39.663%0.6323%0.232SC*.EExtended strand (participates in β ladder)trans-113.1123.8179.4-177.10000108.4W24 N25W24-V28 CarbonylContact C-O 3.6Å; W24-V28 WeakPolarHBondContact CA-O 3.45Å; W24-V28 VanDerWaalsContact CB-O 3.31Å; W24-V28 WeakPolarHBondContact CB-O 3.23Å; N25-V28 PolarHBondContact N-O 3.29Å; N25-V28 PolarHBondContact O-N 3.17Å
29L97.9Very high96.8Very high41 Ų4139.7 Ų39.722%0.21523%0.232CC..EExtended strand (participates in β ladder)trans-64.5141.2174.7-76.6179.2000111.2I23 W24 A33 Q34 L68 L70I23-L29 HydrophobicContact CG2-CD2 4.14Å; I23-L29 WeakPolarHBondContact O-CD2 3.32Å; W24-L29 HydrophobicContact CB-CD2 4.44Å; L29-A33 HydrophobicContact CD2-CB 4.42Å; L29-Q34 HydrophobicContact CD1-CB 3.88Å; L29-L68 HydrophobicContact CD1-CB 4.27Å; L29-L68 WeakPolarHBondContact CD1-O 3.36Å; L29-L68 HydrophobicContact CD2-CB 4.04Å; L29-L68 HydrophobicContact CD2-CD1 4.06Å; L29-L68 HydrophobicContact CG-CB 4.05Å; L29-L68 HydrophobicContact CG-CD2 4.42Å; L29-L70 HydrophobicContact CD1-CD2 4.5Å; L29-L70 HydrophobicContact CD2-CD1 4.03Å; L29-L70 HydrophobicContact CD2-CD2 4.11Å; L29-L70 HydrophobicContact CD2-CG 4.13Å
30I98Very high96.8Very high9 Ų939.7 Ų39.75%0.04623%0.232CC..PPolyproline II helixtrans-63.7139.1163.3-62.3-59.1000108V22 I23 N25 S32 A33 T254 V283V22-I30 WeakPolarHBondContact O-CG1 3.49Å; I23-I30 PolarHBondContact O-N 3.44Å; N25-I30 WeakPolarHBondContact ND2-CD1 3.38Å; I30-S32 PolarHBondContact O-N 3.12Å; I30-A33 HydrophobicContact CB-CB 4.37Å; I30-A33 WeakPolarHBondContact O-CB 3.47Å; I30-A33 PolarHBondContact O-N 3.4Å; I30-T254 HydrophobicContact CD1-CG2 4.34Å; I30-T254 HydrophobicContact CG2-CG2 4.08Å; I30-V283 HydrophobicContact CB-CG2 4.31Å; I30-V283 HydrophobicContact CG2-CG2 3.75Å
31P98.1Very high96.9Very high91 Ų9140.2 Ų40.259%0.59124%0.235SC*.THydrogen-bonded Turntrans-48.2137.5178.1-30.836.5000112.7A33 T284P31-A33 PolarHBondContact O-N 3.44Å; P31-T284 PolarHBondContact O-OG1 3.06Å
32S97.9Very high97Very high45 Ų4545 Ų4532%0.31526%0.259SS..THydrogen-bonded Turntrans64.4-1.9-178.1-48.40000116.7I30 Q34 A35 L36 T284I30-S32 PolarHBondContact O-N 3.12Å; S32-Q34 PolarHBondContact O-N 3.45Å; S32-A35 PolarHBondContact O-N 3.39Å; S32-L36 WeakPolarHBondContact O-CB 3.2Å; S32-L36 PolarHBondContact O-N 2.91Å; S32-T284 WeakPolarHBondContact OG-CG2 3.45Å; S32-T284 PolarHBondContact OG-OG1 3.33Å
33A98.4Very high97Very high0 Ų051.5 Ų51.50%028%0.284CS..Hα-helixtrans-56.9-47.1179.800000112I23 L29 I30 P31 A35 L36 I37 V283I23-A33 HydrophobicContact CD1-CB 4.48Å; I23-A33 HydrophobicContact CG2-CB 4.23Å; I23-A33 WeakPolarHBondContact O-CB 3.46Å; L29-A33 HydrophobicContact CD2-CB 4.42Å; I30-A33 HydrophobicContact CB-CB 4.37Å; I30-A33 WeakPolarHBondContact O-CB 3.47Å; I30-A33 PolarHBondContact O-N 3.4Å; P31-A33 PolarHBondContact O-N 3.44Å; A33-A35 PolarHBondContact O-N 3.2Å; A33-L36 PolarHBondContact O-N 3.4Å; A33-I37 VanDerWaalsContact O-CG1 3.3Å; A33-I37 WeakPolarHBondContact O-CG1 3.36Å; A33-I37 PolarHBondContact O-N 2.61Å; A33-V283 HydrophobicContact CB-CG2 3.98Å
34Q98.3Very high96.8Very high92 Ų9260.7 Ų60.743%0.4332%0.324SS..Hα-helixtrans-59.3-48.6175.6-176.8-1724.900112.6L29 S32 L36 I37 Q38 G69 L70L29-Q34 HydrophobicContact CD1-CB 3.88Å; S32-Q34 PolarHBondContact O-N 3.45Å; Q34-L36 VanDerWaalsContact C-N 3.29Å; Q34-L36 PolarHBondContact O-N 3.48Å; Q34-I37 PolarHBondContact O-N 3.42Å; Q34-Q38 WeakPolarHBondContact O-CB 3.42Å; Q34-Q38 PolarHBondContact O-N 3.18Å; Q34-G69 WeakPolarHBondContact CG-O 3.31Å; Q34-G69 PolarHBondContact NE2-O 3.34Å; Q34-L70 HydrophobicContact CB-CD2 4.01Å; Q34-L70 HydrophobicContact CG-CD2 4.36Å
35A98.3Very high96.8Very high47 Ų4763.1 Ų63.139%0.38833%0.334SS..Hα-helixtrans-64.1-34.8-179.800000112S32 A33 H39 L287S32-A35 PolarHBondContact O-N 3.39Å; A33-A35 PolarHBondContact O-N 3.2Å; A35-H39 WeakPolarHBondContact O-CB 3.3Å; A35-H39 PolarHBondContact O-N 3.23Å; A35-L287 HydrophobicContact CB-CD2 3.65Å
36L98.5Very high97Very high0 Ų062 Ų620%033%0.328CS..Hα-helixtrans-65.1-51.6174.2175.762.3000111.5F17 S32 A33 Q34 Q38 H39 L40 V283 I286 L287 L290F17-L36 HydrophobicContact CE1-CD2 3.82Å; F17-L36 HydrophobicContact CZ-CD2 3.88Å; F17-L36 HydrophobicContact CZ-CG 4.42Å; S32-L36 WeakPolarHBondContact O-CB 3.2Å; S32-L36 PolarHBondContact O-N 2.91Å; A33-L36 PolarHBondContact O-N 3.4Å; Q34-L36 VanDerWaalsContact C-N 3.29Å; Q34-L36 PolarHBondContact O-N 3.48Å; L36-Q38 VanDerWaalsContact C-N 3.32Å; L36-Q38 PolarHBondContact O-N 3.45Å; L36-H39 PolarHBondContact O-N 3.11Å; L36-L40 HydrophobicContact CD1-CD1 3.94Å; L36-L40 HydrophobicContact CD1-CG 4.07Å; L36-L40 HydrophobicContact CG-CD1 4.06Å; L36-L40 WeakPolarHBondContact O-CG 3.26Å; L36-L40 PolarHBondContact O-N 3.05Å; L36-V283 HydrophobicContact CD2-CB 3.75Å; L36-V283 HydrophobicContact CD2-CG1 4.31Å; L36-I286 HydrophobicContact CD1-CB 4.43Å; L36-I286 HydrophobicContact CD1-CG2 3.87Å; L36-I286 HydrophobicContact CD2-CB 4.15Å; L36-I286 HydrophobicContact CD2-CG2 4.11Å; L36-L287 HydrophobicContact CB-CB 4.3Å; L36-L287 HydrophobicContact CD1-CB 4.18Å; L36-L287 HydrophobicContact CD1-CD1 4.33Å; L36-L290 HydrophobicContact CD1-CD1 3.9Å
37I98.6Very high97.4Very high0 Ų058.2 Ų58.20%030%0.302CS..Hα-helixtrans-60-44.9-179.5-63.9-63.9000110.3F17 I23 A33 Q34 L40 L41 V47 L49 L70 P71 V72F17-I37 HydrophobicContact CD2-CD1 3.95Å; F17-I37 HydrophobicContact CE2-CD1 3.94Å; I23-I37 HydrophobicContact CD1-CD1 4.05Å; I23-I37 HydrophobicContact CD1-CG1 4.31Å; A33-I37 VanDerWaalsContact O-CG1 3.3Å; A33-I37 WeakPolarHBondContact O-CG1 3.36Å; A33-I37 PolarHBondContact O-N 2.61Å; Q34-I37 PolarHBondContact O-N 3.42Å; I37-L40 PolarHBondContact O-N 3.48Å; I37-L41 HydrophobicContact CG2-CD1 3.85Å; I37-L41 VanDerWaalsContact O-CG 3.28Å; I37-L41 WeakPolarHBondContact O-CG 3.45Å; I37-L41 PolarHBondContact O-N 3.04Å; I37-L41 VanDerWaalsContact O-N 3.08Å; I37-V47 HydrophobicContact CD1-CG1 3.69Å; I37-V47 HydrophobicContact CG2-CG1 4.47Å; I37-L49 HydrophobicContact CD1-CD2 4.11Å; I37-L70 HydrophobicContact CB-CD2 4.38Å; I37-L70 HydrophobicContact CG1-CD2 4.25Å; I37-P71 HydrophobicContact CG2-CG 4.33Å; I37-V72 HydrophobicContact CG2-CG1 3.94Å
38Q98.3Very high97.8Very high75 Ų7552.7 Ų52.735%0.3527%0.272SS..Hα-helixtrans-59.6-49.4174.5-173.667.264.900111.6Q34 L36 L40 L41 D42 P71Q34-Q38 WeakPolarHBondContact O-CB 3.42Å; Q34-Q38 PolarHBondContact O-N 3.18Å; L36-Q38 VanDerWaalsContact C-N 3.32Å; L36-Q38 PolarHBondContact O-N 3.45Å; Q38-L40 VanDerWaalsContact C-N 3.29Å; Q38-L40 PolarHBondContact O-N 3.18Å; Q38-L41 PolarHBondContact O-N 2.99Å; Q38-D42 PolarHBondContact NE2-OD1 3.36Å; Q38-D42 WeakPolarHBondContact O-CB 3.44Å; Q38-D42 PolarHBondContact O-N 3.23Å; Q38-P71 HydrophobicContact CB-CG 4.41Å; Q38-P71 VanDerWaalsContact OE1-CG 3.31Å
39H98Very high97.9Very high15 Ų1547.8 Ų47.87%0.06924%0.242CC..Hα-helixtrans-58.5-38.2-178.4178.5103.5000113.3A35 L36 R43 L287A35-H39 WeakPolarHBondContact O-CB 3.3Å; A35-H39 PolarHBondContact O-N 3.23Å; L36-H39 PolarHBondContact O-N 3.11Å; H39-R43 PolarHBondContact CE1-NH1 2.9Å; H39-R43 PolarHBondContact CE1-NH2 2.94Å; H39-R43 PolarHBondContact ND1-NH1 3.41Å; H39-R43 VanDerWaalsContact ND1-NH1 3.15Å; H39-R43 PolarHBondContact NE2-NE 2.82Å; H39-R43 PolarHBondContact NE2-NH1 2.91Å; H39-R43 PolarHBondContact O-N 3.21Å; H39-R43 PolarHBondContact O-NH1 2.93Å; H39-L287 HydrophobicContact CB-CD1 3.86Å
40L98.1Very high97.9Very high2 Ų245.8 Ų45.81%0.0123%0.232CC..Hα-helixtrans-70.9-43.9176.8-70.5172.9000111.8F15 F17 L36 I37 Q38 R43 K44 K45 V47 L290F15-L40 HydrophobicContact CB-CD1 4.19Å; F15-L40 HydrophobicContact CD1-CD1 3.93Å; F15-L40 HydrophobicContact CD1-CD2 4.16Å; F15-L40 HydrophobicContact CD2-CD1 4.34Å; F15-L40 HydrophobicContact CD2-CD2 3.95Å; F15-L40 HydrophobicContact CE1-CD1 4.41Å; F15-L40 HydrophobicContact CE1-CD2 3.89Å; F15-L40 HydrophobicContact CE2-CD2 3.68Å; F15-L40 HydrophobicContact CG-CD1 3.9Å; F15-L40 HydrophobicContact CG-CD2 4.2Å; F15-L40 HydrophobicContact CZ-CD2 3.65Å; F17-L40 HydrophobicContact CE2-CD1 3.73Å; F17-L40 HydrophobicContact CZ-CD1 3.69Å; L36-L40 HydrophobicContact CD1-CD1 3.94Å; L36-L40 HydrophobicContact CD1-CG 4.07Å; L36-L40 HydrophobicContact CG-CD1 4.06Å; L36-L40 WeakPolarHBondContact O-CG 3.26Å; L36-L40 PolarHBondContact O-N 3.05Å; I37-L40 PolarHBondContact O-N 3.48Å; Q38-L40 VanDerWaalsContact C-N 3.29Å; Q38-L40 PolarHBondContact O-N 3.18Å; L40-R43 CarbonylContact O-C 3.46Å; L40-R43 PolarHBondContact O-N 3.3Å; L40-K44 PolarHBondContact O-N 2.96Å; L40-K45 HydrophobicContact CB-CB 4.25Å; L40-K45 HydrophobicContact CD2-CB 4.43Å; L40-K45 HydrophobicContact CD2-CG 4.13Å; L40-K45 WeakPolarHBondContact O-CB 3.11Å; L40-K45 WeakPolarHBondContact O-CG 3.16Å; L40-K45 PolarHBondContact O-N 3.37Å; L40-V47 HydrophobicContact CB-CG2 3.61Å; L40-V47 HydrophobicContact CD1-CG2 4.18Å; L40-L290 HydrophobicContact CD2-CD1 3.79Å
41L97.7Very high97.9Very high44 Ų4445.6 Ų45.623%0.2323%0.231CC..Hα-helixtrans-65.6-40.1177.9-69.2169.3000112.1I37 Q38 R43 K44 V47 P71I37-L41 HydrophobicContact CG2-CD1 3.85Å; I37-L41 VanDerWaalsContact O-CG 3.28Å; I37-L41 WeakPolarHBondContact O-CG 3.45Å; I37-L41 PolarHBondContact O-N 3.04Å; I37-L41 VanDerWaalsContact O-N 3.08Å; Q38-L41 PolarHBondContact O-N 2.99Å; L41-R43 PolarHBondContact O-N 2.83Å; L41-K44 WeakPolarHBondContact O-CA 3.42Å; L41-K44 PolarHBondContact O-N 3.33Å; L41-V47 HydrophobicContact CD2-CB 4.06Å; L41-V47 HydrophobicContact CD2-CG2 3.99Å; L41-V47 HydrophobicContact CG-CG2 4.19Å; L41-P71 HydrophobicContact CD1-CB 4.47Å; L41-P71 HydrophobicContact CD1-CG 3.77Å; L41-P71 WeakPolarHBondContact CD1-O 3.42Å
42D97.6Very high97.9Very high105 Ų10541.5 Ų41.556%0.56120%0.204SC*.Hα-helixtrans-59.7-29.9174.6-67.8-16.1000112Q38 K44Q38-D42 PolarHBondContact NE2-OD1 3.36Å; Q38-D42 WeakPolarHBondContact O-CB 3.44Å; Q38-D42 PolarHBondContact O-N 3.23Å; D42-K44 VanDerWaalsContact C-N 3.28Å
43R96.9Very high97.8Very high135 Ų13539.9 Ų39.951%0.50919%0.192SC..THydrogen-bonded Turntrans-89.211.7175.3-75168.9175.863.33.2113.4H39 L40 L41 K45H39-R43 PolarHBondContact CE1-NH1 2.9Å; H39-R43 PolarHBondContact CE1-NH2 2.94Å; H39-R43 PolarHBondContact ND1-NH1 3.41Å; H39-R43 VanDerWaalsContact ND1-NH1 3.15Å; H39-R43 PolarHBondContact NE2-NE 2.82Å; H39-R43 PolarHBondContact NE2-NH1 2.91Å; H39-R43 PolarHBondContact O-N 3.21Å; H39-R43 PolarHBondContact O-NH1 2.93Å; L40-R43 CarbonylContact O-C 3.46Å; L40-R43 PolarHBondContact O-N 3.3Å; L41-R43 PolarHBondContact O-N 2.83Å; R43-K45 HydrophobicContact CB-CG 4.18Å; R43-K45 PolarHBondContact O-N 3.19Å
44K96Very high97.8Very high194 Ų19439.9 Ų39.984%0.84319%0.192SC*.THydrogen-bonded Turntrans56.429.2179-55.8177.6177.9178.70113.2L40 L41 D42L40-K44 PolarHBondContact O-N 2.96Å; L41-K44 WeakPolarHBondContact O-CA 3.42Å; L41-K44 PolarHBondContact O-N 3.33Å; D42-K44 VanDerWaalsContact C-N 3.28Å
45K96.8Very high97.7Very high51 Ų5139 Ų3922%0.22219%0.185CC..  trans-73.7147.5172-58.1-62.8-174.4167.60109.5C12 E13 F15 L40 R43 V47C12-K45 WeakPolarHBondContact O-CE 3.37Å; C12-K45 PolarHBondContact O-NZ 2.99Å; E13-K45 WeakPolarHBondContact O-CA 3.37Å; F15-K45 HydrophobicContact CD2-CB 4.05Å; F15-K45 HydrophobicContact CD2-CG 4.42Å; F15-K45 HydrophobicContact CE2-CB 4.14Å; F15-K45 HydrophobicContact CE2-CD 4.12Å; F15-K45 HydrophobicContact CE2-CG 4.01Å; L40-K45 HydrophobicContact CB-CB 4.25Å; L40-K45 HydrophobicContact CD2-CB 4.43Å; L40-K45 HydrophobicContact CD2-CG 4.13Å; L40-K45 WeakPolarHBondContact O-CB 3.11Å; L40-K45 WeakPolarHBondContact O-CG 3.16Å; L40-K45 PolarHBondContact O-N 3.37Å; R43-K45 HydrophobicContact CB-CG 4.18Å; R43-K45 PolarHBondContact O-N 3.19Å; K45-V47 PolarHBondContact O-N 3.15Å
46N97.5Very high97.7Very high52 Ų5240.7 Ų40.728%0.27818%0.181SC..EExtended strand (participates in β ladder)trans-75.3116.7170.1-66.6-51.5000108.3E13 T14 F15 F48E13-N46 PolarHBondContact O-N 2.95Å; T14-N46 CarbonylContact C-O 3.59Å; T14-N46 WeakPolarHBondContact CA-O 3.45Å; T14-N46 HydrophobicContact CG2-CB 3.99Å; T14-N46 PolarHBondContact OG1-ND2 3.28Å; F15-N46 PolarHBondContact N-O 3.4Å; N46-F48 HydrophobicContact CB-CE2 4Å
47V98.2Very high97.7Very high2 Ų241 Ų411%0.01218%0.183CC..EExtended strand (participates in β ladder)trans-116.1125.8-179.6-179.70000109.2F15 F17 I37 L40 L41 K45 N76F15-V47 WeakPolarHBondContact O-CA 3.15Å; F17-V47 HydrophobicContact CD2-CG1 4.16Å; F17-V47 HydrophobicContact CE2-CG1 4.14Å; I37-V47 HydrophobicContact CD1-CG1 3.69Å; I37-V47 HydrophobicContact CG2-CG1 4.47Å; L40-V47 HydrophobicContact CB-CG2 3.61Å; L40-V47 HydrophobicContact CD1-CG2 4.18Å; L41-V47 HydrophobicContact CD2-CB 4.06Å; L41-V47 HydrophobicContact CD2-CG2 3.99Å; L41-V47 HydrophobicContact CG-CG2 4.19Å; K45-V47 PolarHBondContact O-N 3.15Å; V47-N76 WeakPolarHBondContact O-CB 3.49Å; V47-N76 PolarHBondContact O-ND2 3.33Å
48F98.6Very high97.7Very high2 Ų241.3 Ų41.31%0.00919%0.185CC..EExtended strand (participates in β ladder)trans-125.8133.4174.5-62.2-87.5000111.1T14 F15 L16 F17 N46 I50 R75 N76 I78 L217 C220 C221T14-F48 HydrophobicContact CG2-CD2 4.03Å; T14-F48 HydrophobicContact CG2-CE2 4.07Å; F15-F48 PolarHBondContact O-N 3.28Å; L16-F48 WeakPolarHBondContact CA-O 3.37Å; L16-F48 HydrophobicContact CD2-CB 3.79Å; L16-F48 HydrophobicContact CD2-CD2 3.72Å; L16-F48 HydrophobicContact CD2-CG 4.11Å; F17-F48 PolarHBondContact N-O 3.15Å; N46-F48 HydrophobicContact CB-CE2 4Å; F48-I50 HydrophobicContact CB-CG2 3.83Å; F48-R75 VanDerWaalsContact CE1-O 3.29Å; F48-R75 WeakPolarHBondContact CE1-O 3.47Å; F48-N76 CarbonylContact C-O 3.54Å; F48-N76 VanDerWaalsContact CA-O 3.26Å; F48-N76 WeakPolarHBondContact CA-O 3.5Å; F48-I78 HydrophobicContact CD1-CG1 4.11Å; F48-L217 HydrophobicContact CB-CD2 4.26Å; F48-L217 HydrophobicContact CD1-CD2 4.22Å; F48-L217 HydrophobicContact CD2-CD2 4.29Å; F48-L217 HydrophobicContact CG-CD2 4.01Å; F48-C220 HydrophobicContact CE1-CB 4.04Å; F48-C220 HydrophobicContact CZ-CB 4.21Å; F48-C221 HydrophobicContact CE2-CB 4.2Å; F48-C221 VanDerWaalsContact CE2-SG 3.55Å; F48-C221 HydrophobicContact CZ-CB 4.01Å
49L98.7Very high97.7Very high1 Ų142.8 Ų42.81%0.00519%0.191CC..EExtended strand (participates in β ladder)trans-94113.7165.4-53.5-171.5000107.2F17 I23 W24 I37 L70 V72 N76 I77 I78F17-L49 HydrophobicContact CB-CD2 4.03Å; F17-L49 CarbonylContact O-C 3.51Å; F17-L49 WeakPolarHBondContact O-CA 3.35Å; I23-L49 HydrophobicContact CD1-CD2 4.42Å; I23-L49 HydrophobicContact CG1-CD2 4.07Å; W24-L49 HydrophobicContact CH2-CD1 4.21Å; W24-L49 HydrophobicContact CZ3-CD1 4.1Å; I37-L49 HydrophobicContact CD1-CD2 4.11Å; L49-L70 HydrophobicContact CD1-CD1 4.47Å; L49-V72 HydrophobicContact CD1-CG1 4.33Å; L49-N76 PolarHBondContact N-O 3.42Å; L49-I77 HydrophobicContact CB-CD1 3.92Å; L49-I77 HydrophobicContact CD1-CD1 3.89Å; L49-I77 HydrophobicContact CG-CD1 4.18Å; L49-I78 PolarHBondContact O-N 2.78Å
50I98.3Very high97.7Very high0 Ų045.7 Ų45.70%020%0.204CC..EExtended strand (participates in β ladder)trans-118.1121.3-173.475.7169.3000110.6L16 F17 D18 F48 I78 K208 M213 L217 M230 F241L16-I50 HydrophobicContact CB-CD1 4.02Å; L16-I50 HydrophobicContact CB-CG1 4.47Å; L16-I50 HydrophobicContact CD1-CD1 4.26Å; F17-I50 PolarHBondContact O-N 3.34Å; D18-I50 WeakPolarHBondContact CA-O 3.41Å; F48-I50 HydrophobicContact CB-CG2 3.83Å; I50-I78 CarbonylContact C-O 3.1Å; I50-I78 VanDerWaalsContact CA-O 3.26Å; I50-I78 WeakPolarHBondContact CA-O 3.25Å; I50-I78 HydrophobicContact CB-CB 4.35Å; I50-I78 HydrophobicContact CG2-CB 3.91Å; I50-I78 HydrophobicContact CG2-CG1 4.22Å; I50-K208 HydrophobicContact CD1-CD 3.83Å; I50-K208 HydrophobicContact CG1-CD 4.11Å; I50-K208 PolarHBondContact O-NZ 3.49Å; I50-M213 HydrophobicContact CB-SD 4.29Å; I50-M213 HydrophobicContact CD1-SD 4.28Å; I50-L217 HydrophobicContact CD1-CD1 4.36Å; I50-L217 HydrophobicContact CG2-CD1 4.46Å; I50-L217 HydrophobicContact CG2-CD2 4.13Å; I50-M230 HydrophobicContact CD1-CE 3.89Å; I50-M230 HydrophobicContact CD1-SD 3.59Å; I50-M230 VanDerWaalsContact CD1-SD 3.59Å; I50-M230 HydrophobicContact CG1-CE 3.99Å; I50-M230 HydrophobicContact CG1-SD 4.14Å; I50-F241 HydrophobicContact CD1-CD1 4.4Å; I50-F241 HydrophobicContact CD1-CE1 4.09Å
51T98Very high97.7Very high4 Ų445.7 Ų45.73%0.02520%0.204CC..EExtended strand (participates in β ladder)trans-136.9140.4-172.2-177.30000113N53 Y61 I78 C79 T80T51-N53 PolarHBondContact O-N 3.25Å; T51-N53 WeakPolarHBondContact OG1-CB 3.41Å; T51-N53 PolarHBondContact OG1-N 2.75Å; T51-Y61 HydrophobicContact CG2-CE1 4.34Å; T51-Y61 HydrophobicContact CG2-CE2 3.95Å; T51-I78 PolarHBondContact N-O 2.86Å; T51-C79 HydrophobicContact CG2-CB 3.75Å; T51-C79 WeakPolarHBondContact O-CA 2.99Å; T51-T80 PolarHBondContact O-N 2.94Å
52N98.1Very high97.8Very high5 Ų544.5 Ų44.53%0.02720%0.198CC..SBendtrans-71.3-18171.5-83.95.1000112.9S54 T80 N173 D175 G207 K208N52-S54 PolarHBondContact O-N 2.87Å; N52-T80 HydrophobicContact CB-CG2 4.48Å; N52-T80 WeakPolarHBondContact O-CG2 3.39Å; N52-T80 PolarHBondContact O-OG1 2.94Å; N52-N173 HydrophobicContact CB-CB 3.76Å; N52-N173 PolarHBondContact O-ND2 3.25Å; N52-D175 WeakPolarHBondContact CB-OD2 3.39Å; N52-D175 PolarHBondContact ND2-OD1 3.04Å; N52-G207 WeakPolarHBondContact OD1-CA 3.2Å; N52-K208 PolarHBondContact ND2-O 3.13Å; N52-K208 VanDerWaalsContact ND2-O 3.14Å; N52-K208 PolarHBondContact OD1-N 3.1Å
53N96Very high97.8Very high12 Ų1243.4 Ų43.46%0.06420%0.199CC..  trans-73.7112.2-175.2-178.1-6.6000112.2T51 R55 Y61T51-N53 PolarHBondContact O-N 3.25Å; T51-N53 WeakPolarHBondContact OG1-CB 3.41Å; T51-N53 PolarHBondContact OG1-N 2.75Å; N53-R55 PolarHBondContact ND2-NH2 3.16Å; N53-R55 VanDerWaalsContact OD1-CB 3.3Å; N53-R55 WeakPolarHBondContact OD1-CB 3.01Å; N53-R55 WeakPolarHBondContact OD1-CG 3.38Å; N53-R55 PolarHBondContact OD1-N 3.1Å; N53-R55 PolarHBondContact OD1-NE 3.29Å; N53-Y61 WeakPolarHBondContact CB-OH 3.27Å; N53-Y61 VanDerWaalsContact CG-OH 3.29Å; N53-Y61 PolarHBondContact O-OH 2.86Å
54S97.4Very high97.9Very high0 Ų038.4 Ų38.40%018%0.181CC..  trans-90.50.6-178.363.40000114.4N52 R56 T80 T172N52-S54 PolarHBondContact O-N 2.87Å; S54-R56 VanDerWaalsContact C-N 3.25Å; S54-R56 PolarHBondContact O-N 3.07Å; S54-T80 WeakPolarHBondContact CB-OG1 3.24Å; S54-T80 PolarHBondContact N-OG1 3.05Å; S54-T172 PolarHBondContact OG-OG1 3.17Å
55R96.9Very high98Very high73 Ų7329.1 Ų29.128%0.27514%0.141SC..SBendtrans-68.3-26.2-173.2-63.1-177.5-73.3179-6.8113.5N53 E102 G104 F147N53-R55 PolarHBondContact ND2-NH2 3.16Å; N53-R55 VanDerWaalsContact OD1-CB 3.3Å; N53-R55 WeakPolarHBondContact OD1-CB 3.01Å; N53-R55 WeakPolarHBondContact OD1-CG 3.38Å; N53-R55 PolarHBondContact OD1-N 3.1Å; N53-R55 PolarHBondContact OD1-NE 3.29Å; R55-E102 HydrophobicContact CB-CB 4.25Å; R55-E102 HydrophobicContact CB-CG 4.3Å; R55-E102 HydrophobicContact CG-CB 4.31Å; R55-E102 HydrophobicContact CG-CG 3.92Å; R55-G104 WeakPolarHBondContact O-CA 3.37Å; R55-G104 PolarHBondContact O-N 3.35Å; R55-F147 HydrophobicContact CG-CB 4.27Å; R55-F147 HydrophobicContact CG-CD1 3.86Å; R55-F147 HydrophobicContact CG-CG 4.41Å
56R97.7Very high98Very high82 Ų8231.9 Ų31.931%0.30915%0.154SC..SBendtrans-114.7141.6179.7-69.4-177.1-176.988.41.9110.8S54 E60 Y61S54-R56 VanDerWaalsContact C-N 3.25Å; S54-R56 PolarHBondContact O-N 3.07Å; R56-E60 WeakPolarHBondContact CA-OE2 3.49Å; R56-E60 HydrophobicContact CB-CB 3.92Å; R56-E60 HydrophobicContact CG-CB 4.16Å; R56-Y61 HydrophobicContact CB-CD1 4.37Å; R56-Y61 HydrophobicContact CB-CD2 3.84Å; R56-Y61 HydrophobicContact CB-CE1 4.15Å; R56-Y61 HydrophobicContact CB-CE2 3.61Å; R56-Y61 HydrophobicContact CB-CG 4.21Å; R56-Y61 VanDerWaalsContact O-CE2 3.24Å; R56-Y61 WeakPolarHBondContact O-CE2 3.39Å
57S98.4Very high98Very high6 Ų632.8 Ų32.84%0.04218%0.176CC..  trans-68.5166.9165.264.10000111.3K59 E60 Y61 E108S57-K59 VanDerWaalsContact C-N 3.27Å; S57-K59 PolarHBondContact O-N 3.06Å; S57-E60 WeakPolarHBondContact CB-OE2 3.43Å; S57-E60 PolarHBondContact N-OE2 3.36Å; S57-E60 PolarHBondContact O-N 3.4Å; S57-E60 VanDerWaalsContact OG-CG 3.28Å; S57-E60 WeakPolarHBondContact OG-CG 3.48Å; S57-E60 PolarHBondContact OG-N 2.91Å; S57-E60 PolarHBondContact OG-OE2 3.11Å; S57-Y61 VanDerWaalsContact O-CD2 3.26Å; S57-Y61 WeakPolarHBondContact O-CD2 3.45Å; S57-Y61 PolarHBondContact O-N 3.37Å; S57-E108 WeakPolarHBondContact CA-OE1 3.44Å; S57-E108 VanDerWaalsContact CB-OE1 3.25Å; S57-E108 WeakPolarHBondContact CB-OE1 3.5Å
58V98.5Very high98Very high8 Ų834.2 Ų34.25%0.04818%0.183CC..Hα-helixtrans-59.3-41.1172.5170.60000110.7E60 Y61 V62 K74 I77 R82 E108V58-E60 VanDerWaalsContact C-N 3.34Å; V58-E60 PolarHBondContact O-N 3.24Å; V58-Y61 PolarHBondContact O-N 3.09Å; V58-V62 HydrophobicContact CG1-CG2 4.46Å; V58-V62 VanDerWaalsContact O-CG2 3.3Å; V58-V62 WeakPolarHBondContact O-CG2 3.38Å; V58-V62 PolarHBondContact O-N 3.05Å; V58-K74 HydrophobicContact CG1-CB 3.83Å; V58-K74 HydrophobicContact CG1-CG 3.98Å; V58-I77 HydrophobicContact CG1-CB 4.2Å; V58-I77 HydrophobicContact CG2-CG2 4.34Å; V58-R82 HydrophobicContact CG2-CB 3.87Å; V58-R82 HydrophobicContact CG2-CG 4.15Å; V58-E108 WeakPolarHBondContact CB-OE1 3.4Å; V58-E108 WeakPolarHBondContact CG2-OE1 3.27Å; V58-E108 PolarHBondContact N-OE1 3.11Å
59K98.5Very high97.9Very high106 Ų10635.7 Ų35.746%0.46120%0.2SC..Hα-helixtrans-60.5-44.1177.5-72.2173.2-175.3163.80111S57 V62 S63 E111S57-K59 VanDerWaalsContact C-N 3.27Å; S57-K59 PolarHBondContact O-N 3.06Å; K59-V62 PolarHBondContact O-N 3.39Å; K59-S63 PolarHBondContact O-N 3.35Å; K59-E111 IonicContact NZ-OE1 2.96Å; K59-E111 PolarHBondContact NZ-OE1 2.62Å; K59-E111 IonicContact NZ-OE2 3.09Å; K59-E111 PolarHBondContact NZ-OE2 3.05Å
60E98.4Very high97.9Very high76 Ų7635.7 Ų35.736%0.35520%0.2SC..Hα-helixtrans-69.2-37.9177.6-70.7163.7129.500112.4R56 S57 V58 S63 K64R56-E60 WeakPolarHBondContact CA-OE2 3.49Å; R56-E60 HydrophobicContact CB-CB 3.92Å; R56-E60 HydrophobicContact CG-CB 4.16Å; S57-E60 WeakPolarHBondContact CB-OE2 3.43Å; S57-E60 PolarHBondContact N-OE2 3.36Å; S57-E60 PolarHBondContact O-N 3.4Å; S57-E60 VanDerWaalsContact OG-CG 3.28Å; S57-E60 WeakPolarHBondContact OG-CG 3.48Å; S57-E60 PolarHBondContact OG-N 2.91Å; S57-E60 PolarHBondContact OG-OE2 3.11Å; V58-E60 VanDerWaalsContact C-N 3.34Å; V58-E60 PolarHBondContact O-N 3.24Å; E60-S63 PolarHBondContact O-N 3.44Å; E60-K64 WeakPolarHBondContact O-CB 3.47Å; E60-K64 PolarHBondContact O-N 3.14Å
61Y98.4Very high97.8Very high2 Ų238.1 Ų38.11%0.00822%0.215CC..Hα-helixtrans-65.6-40.6173.9-83.5-59.1000112.5T51 N53 R56 S57 V58 S63 K64 C65 I77 C79T51-Y61 HydrophobicContact CG2-CE1 4.34Å; T51-Y61 HydrophobicContact CG2-CE2 3.95Å; N53-Y61 WeakPolarHBondContact CB-OH 3.27Å; N53-Y61 VanDerWaalsContact CG-OH 3.29Å; N53-Y61 PolarHBondContact O-OH 2.86Å; R56-Y61 HydrophobicContact CB-CD1 4.37Å; R56-Y61 HydrophobicContact CB-CD2 3.84Å; R56-Y61 HydrophobicContact CB-CE1 4.15Å; R56-Y61 HydrophobicContact CB-CE2 3.61Å; R56-Y61 HydrophobicContact CB-CG 4.21Å; R56-Y61 VanDerWaalsContact O-CE2 3.24Å; R56-Y61 WeakPolarHBondContact O-CE2 3.39Å; S57-Y61 VanDerWaalsContact O-CD2 3.26Å; S57-Y61 WeakPolarHBondContact O-CD2 3.45Å; S57-Y61 PolarHBondContact O-N 3.37Å; V58-Y61 PolarHBondContact O-N 3.09Å; Y61-S63 VanDerWaalsContact C-N 3.34Å; Y61-K64 PolarHBondContact O-N 2.56Å; Y61-C65 WeakPolarHBondContact O-CB 3.5Å; Y61-C65 PolarHBondContact O-N 2.9Å; Y61-C65 PolarHBondContact O-SG 3.18Å; Y61-I77 HydrophobicContact CD2-CG2 4.09Å; Y61-I77 HydrophobicContact CG-CG2 4.19Å; Y61-C79 HydrophobicContact CD2-CB 3.97Å; Y61-C79 HydrophobicContact CE2-CB 3.55Å
62V98.4Very high97.8Very high18 Ų1838.2 Ų38.211%0.10922%0.216CC..Hα-helixtrans-60.1-46.8173.5170.20000110.2V58 K59 K64 C65 H66 K74 I77V58-V62 HydrophobicContact CG1-CG2 4.46Å; V58-V62 VanDerWaalsContact O-CG2 3.3Å; V58-V62 WeakPolarHBondContact O-CG2 3.38Å; V58-V62 PolarHBondContact O-N 3.05Å; K59-V62 PolarHBondContact O-N 3.39Å; V62-K64 PolarHBondContact O-N 3.36Å; V62-C65 PolarHBondContact O-N 3.2Å; V62-H66 WeakPolarHBondContact CG1-CE1 3.34Å; V62-H66 PolarHBondContact O-N 3.16Å; V62-K74 HydrophobicContact CG2-CB 4.48Å; V62-K74 HydrophobicContact CG2-CG 4.06Å; V62-I77 HydrophobicContact CG2-CG1 3.97Å
63S98.3Very high97.7Very high83 Ų8340.6 Ų40.658%0.5823%0.233SC*.Hα-helixtrans-59.6-44176.3-177.90000112.3K59 E60 Y61 C65 H66 G67K59-S63 PolarHBondContact O-N 3.35Å; E60-S63 PolarHBondContact O-N 3.44Å; Y61-S63 VanDerWaalsContact C-N 3.34Å; S63-C65 PolarHBondContact O-N 2.88Å; S63-H66 PolarHBondContact O-N 2.91Å; S63-G67 PolarHBondContact O-N 3.36Å
64K98Very high97.8Very high29 Ų2945 Ų4513%0.12625%0.252CS..Hα-helixtrans-57.9-49173.2178.4-179.2-179.9-177.40111.3W24 S26 E60 Y61 V62 H66 G67 L68W24-K64 VanDerWaalsContact CD1-NZ 3.34Å; W24-K64 HydrophobicContact CZ2-CD 4.28Å; S26-K64 WeakPolarHBondContact O-CE 3.24Å; S26-K64 PolarHBondContact O-NZ 2.91Å; E60-K64 WeakPolarHBondContact O-CB 3.47Å; E60-K64 PolarHBondContact O-N 3.14Å; Y61-K64 PolarHBondContact O-N 2.56Å; V62-K64 PolarHBondContact O-N 3.36Å; K64-H66 VanDerWaalsContact C-N 3.35Å; K64-H66 PolarHBondContact O-N 3.16Å; K64-G67 PolarHBondContact O-N 2.77Å; K64-L68 HydrophobicContact CG-CD1 4.17Å; K64-L68 WeakPolarHBondContact O-CG 3.33Å; K64-L68 PolarHBondContact O-N 3.17Å
65C98.4Very high97.7Very high0 Ų051.7 Ų51.70%028%0.277CS..Hα-helixtrans-61.7-43.8-178.2-69.50000111.5Y61 V62 S63 G67 L68 G69 L70 V72Y61-C65 WeakPolarHBondContact O-CB 3.5Å; Y61-C65 PolarHBondContact O-N 2.9Å; Y61-C65 PolarHBondContact O-SG 3.18Å; V62-C65 PolarHBondContact O-N 3.2Å; S63-C65 PolarHBondContact O-N 2.88Å; C65-G67 PolarHBondContact O-N 3.04Å; C65-L68 CarbonylContact O-C 3.57Å; C65-L68 WeakPolarHBondContact O-CA 3.28Å; C65-L68 PolarHBondContact O-N 3.1Å; C65-L68 VanDerWaalsContact O-N 3.1Å; C65-G69 PolarHBondContact O-N 3.5Å; C65-G69 VanDerWaalsContact O-N 3.13Å; C65-L70 HydrophobicContact CB-CB 3.96Å; C65-L70 HydrophobicContact CB-CD1 4.28Å; C65-L70 WeakPolarHBondContact O-CB 3.4Å; C65-L70 PolarHBondContact O-N 3.09Å; C65-V72 HydrophobicContact CB-CG2 3.27Å
66H98.1Very high97.8Very high108 Ų10849.1 Ų49.150%0.527%0.268SS..Hα-helixtrans-62.5-41.1174.7-67.9170.5000112.2V62 S63 K64 L68 G69 L70 V72V62-H66 WeakPolarHBondContact CG1-CE1 3.34Å; V62-H66 PolarHBondContact O-N 3.16Å; S63-H66 PolarHBondContact O-N 2.91Å; K64-H66 VanDerWaalsContact C-N 3.35Å; K64-H66 PolarHBondContact O-N 3.16Å; H66-L68 PolarHBondContact O-N 3.12Å; H66-G69 PolarHBondContact O-N 2.84Å; H66-L70 PolarHBondContact CD2-O 3.1Å; H66-V72 PolarHBondContact NE2-O 2.78Å
67G97.7Very high97.8Very high72 Ų7245.3 Ų45.374%0.74225%0.254SS*.Hα-helixtrans-61.2-26.2173.500000113.8S63 K64 C65S63-G67 PolarHBondContact O-N 3.36Å; K64-G67 PolarHBondContact O-N 2.77Å; C65-G67 PolarHBondContact O-N 3.04Å
68L97.5Very high97.8Very high31 Ų3145 Ų4516%0.16225%0.252CS..THydrogen-bonded Turntrans-91.41.3173.5-63.9175000113.3W24 N27 L29 K64 C65 H66 L70W24-L68 HydrophobicContact CB-CD1 4.38Å; W24-L68 HydrophobicContact CD2-CD1 4.19Å; W24-L68 HydrophobicContact CE3-CD1 3.74Å; W24-L68 HydrophobicContact CG-CD1 4.46Å; W24-L68 HydrophobicContact CZ3-CD1 4.44Å; N27-L68 VanDerWaalsContact O-CD2 3.26Å; N27-L68 WeakPolarHBondContact O-CD2 3.5Å; L29-L68 HydrophobicContact CD1-CB 4.27Å; L29-L68 WeakPolarHBondContact CD1-O 3.36Å; L29-L68 HydrophobicContact CD2-CB 4.04Å; L29-L68 HydrophobicContact CD2-CD1 4.06Å; L29-L68 HydrophobicContact CG-CB 4.05Å; L29-L68 HydrophobicContact CG-CD2 4.42Å; K64-L68 HydrophobicContact CG-CD1 4.17Å; K64-L68 WeakPolarHBondContact O-CG 3.33Å; K64-L68 PolarHBondContact O-N 3.17Å; C65-L68 CarbonylContact O-C 3.57Å; C65-L68 WeakPolarHBondContact O-CA 3.28Å; C65-L68 PolarHBondContact O-N 3.1Å; C65-L68 VanDerWaalsContact O-N 3.1Å; H66-L68 PolarHBondContact O-N 3.12Å; L68-L70 VanDerWaalsContact C-N 3.33Å; L68-L70 HydrophobicContact CB-CG 4.41Å; L68-L70 PolarHBondContact O-N 3.36Å
69G97.3Very high97.8Very high34 Ų3444.7 Ų44.735%0.35125%0.25SC..THydrogen-bonded Turntrans77.412.4-178.200000115Q34 C65 H66Q34-G69 WeakPolarHBondContact CG-O 3.31Å; Q34-G69 PolarHBondContact NE2-O 3.34Å; C65-G69 PolarHBondContact O-N 3.5Å; C65-G69 VanDerWaalsContact O-N 3.13Å; H66-G69 PolarHBondContact O-N 2.84Å
70L98.2Very high97.8Very high1 Ų139.6 Ų39.61%0.00523%0.228CC..  trans-79.8122.5176.2-62.7176.2000110.6I23 W24 L29 Q34 I37 L49 C65 H66 L68 V72I23-L70 HydrophobicContact CG2-CD1 3.63Å; W24-L70 HydrophobicContact CE3-CD1 3.99Å; W24-L70 HydrophobicContact CZ3-CD1 3.73Å; L29-L70 HydrophobicContact CD1-CD2 4.5Å; L29-L70 HydrophobicContact CD2-CD1 4.03Å; L29-L70 HydrophobicContact CD2-CD2 4.11Å; L29-L70 HydrophobicContact CD2-CG 4.13Å; Q34-L70 HydrophobicContact CB-CD2 4.01Å; Q34-L70 HydrophobicContact CG-CD2 4.36Å; I37-L70 HydrophobicContact CB-CD2 4.38Å; I37-L70 HydrophobicContact CG1-CD2 4.25Å; L49-L70 HydrophobicContact CD1-CD1 4.47Å; C65-L70 HydrophobicContact CB-CB 3.96Å; C65-L70 HydrophobicContact CB-CD1 4.28Å; C65-L70 WeakPolarHBondContact O-CB 3.4Å; C65-L70 PolarHBondContact O-N 3.09Å; H66-L70 PolarHBondContact CD2-O 3.1Å; L68-L70 VanDerWaalsContact C-N 3.33Å; L68-L70 HydrophobicContact CB-CG 4.41Å; L68-L70 PolarHBondContact O-N 3.36Å; L70-V72 HydrophobicContact CB-CG1 4.43Å; L70-V72 PolarHBondContact O-N 2.94Å
71P95.7Very high97.8Very high50 Ų5036 Ų3633%0.32521%0.211SC..  trans-81.452-173.837.5-42.7000112.6I37 Q38 L41I37-P71 HydrophobicContact CG2-CG 4.33Å; Q38-P71 HydrophobicContact CB-CG 4.41Å; Q38-P71 VanDerWaalsContact OE1-CG 3.31Å; L41-P71 HydrophobicContact CD1-CB 4.47Å; L41-P71 HydrophobicContact CD1-CG 3.77Å; L41-P71 WeakPolarHBondContact CD1-O 3.42Å
72V97.2Very high97.8Very high6 Ų638.3 Ų38.34%0.03622%0.22CC..  trans-103.6158.5-175.7-56.80000112.3I37 L49 C65 H66 L70 N76 I77I37-V72 HydrophobicContact CG2-CG1 3.94Å; L49-V72 HydrophobicContact CD1-CG1 4.33Å; C65-V72 HydrophobicContact CB-CG2 3.27Å; H66-V72 PolarHBondContact NE2-O 2.78Å; L70-V72 HydrophobicContact CB-CG1 4.43Å; L70-V72 PolarHBondContact O-N 2.94Å; V72-N76 HydrophobicContact CB-CB 3.96Å; V72-N76 HydrophobicContact CG1-CB 4.36Å; V72-I77 HydrophobicContact CG2-CD1 4.18Å
73S97.3Very high97.8Very high56 Ų5637.6 Ų37.639%0.39222%0.216SC..  trans-118.7174.7176.673.90000111.1R75 N76S73-R75 PolarHBondContact O-N 3.45Å; S73-R75 VanDerWaalsContact O-N 3.11Å; S73-R75 PolarHBondContact OG-N 3.27Å; S73-N76 PolarHBondContact N-OD1 2.88Å; S73-N76 WeakPolarHBondContact O-CB 3.39Å; S73-N76 PolarHBondContact O-N 3.08Å; S73-N76 PolarHBondContact O-OD1 3.19Å; S73-N76 PolarHBondContact OG-OD1 3.22Å
74K97.1Very high97.8Very high105 Ų10533.7 Ų33.746%0.45719%0.188SC..G310 helixtrans-53.5-31.5174-63.7-174.1179.1179.90113V58 V62 N76 I77 R82V58-K74 HydrophobicContact CG1-CB 3.83Å; V58-K74 HydrophobicContact CG1-CG 3.98Å; V62-K74 HydrophobicContact CG2-CB 4.48Å; V62-K74 HydrophobicContact CG2-CG 4.06Å; K74-N76 VanDerWaalsContact C-N 3.26Å; K74-N76 PolarHBondContact O-N 3.35Å; K74-I77 PolarHBondContact O-N 3.18Å; K74-R82 PolarHBondContact O-NH1 2.87Å
75R95.9Very high97.8Very high140 Ų14032.3 Ų32.353%0.52818%0.182SC..G310 helixtrans-62.9-34.4177.9179.1177.6175.1152.91.5111.8F48 S73 I77 C220F48-R75 VanDerWaalsContact CE1-O 3.29Å; F48-R75 WeakPolarHBondContact CE1-O 3.47Å; S73-R75 PolarHBondContact O-N 3.45Å; S73-R75 VanDerWaalsContact O-N 3.11Å; S73-R75 PolarHBondContact OG-N 3.27Å; R75-I77 VanDerWaalsContact C-N 3.3Å; R75-I77 PolarHBondContact O-N 3.03Å; R75-C220 PolarHBondContact NH2-O 3.18Å
76N98Very high97.8Very high18 Ų1834.2 Ų34.210%0.09620%0.195CC..G310 helixtrans-79-10.2-175.4-54.6101.4000113.1V47 F48 L49 V72 S73 K74V47-N76 WeakPolarHBondContact O-CB 3.49Å; V47-N76 PolarHBondContact O-ND2 3.33Å; F48-N76 CarbonylContact C-O 3.54Å; F48-N76 VanDerWaalsContact CA-O 3.26Å; F48-N76 WeakPolarHBondContact CA-O 3.5Å; L49-N76 PolarHBondContact N-O 3.42Å; V72-N76 HydrophobicContact CB-CB 3.96Å; V72-N76 HydrophobicContact CG1-CB 4.36Å; S73-N76 PolarHBondContact N-OD1 2.88Å; S73-N76 WeakPolarHBondContact O-CB 3.39Å; S73-N76 PolarHBondContact O-N 3.08Å; S73-N76 PolarHBondContact O-OD1 3.19Å; S73-N76 PolarHBondContact OG-OD1 3.22Å; K74-N76 VanDerWaalsContact C-N 3.26Å; K74-N76 PolarHBondContact O-N 3.35Å
77I98.4Very high97.8Very high3 Ų331.9 Ų31.92%0.01518%0.184CC..EExtended strand (participates in β ladder)trans-103.9122.3-173.7-53.8-56.1000111.2L49 V58 Y61 V62 V72 K74 R75 R82L49-I77 HydrophobicContact CB-CD1 3.92Å; L49-I77 HydrophobicContact CD1-CD1 3.89Å; L49-I77 HydrophobicContact CG-CD1 4.18Å; V58-I77 HydrophobicContact CG1-CB 4.2Å; V58-I77 HydrophobicContact CG2-CG2 4.34Å; Y61-I77 HydrophobicContact CD2-CG2 4.09Å; Y61-I77 HydrophobicContact CG-CG2 4.19Å; V62-I77 HydrophobicContact CG2-CG1 3.97Å; V72-I77 HydrophobicContact CG2-CD1 4.18Å; K74-I77 PolarHBondContact O-N 3.18Å; R75-I77 VanDerWaalsContact C-N 3.3Å; R75-I77 PolarHBondContact O-N 3.03Å; I77-R82 PolarHBondContact O-NH1 3.18Å
78I98.1Very high97.8Very high0 Ų028.5 Ų28.50%015%0.148CC..EExtended strand (participates in β ladder)trans-121.299.8169.8-52.8-65.2000108.6F48 L49 I50 T51 V83 M213 L216 L217F48-I78 HydrophobicContact CD1-CG1 4.11Å; L49-I78 PolarHBondContact O-N 2.78Å; I50-I78 CarbonylContact C-O 3.1Å; I50-I78 VanDerWaalsContact CA-O 3.26Å; I50-I78 WeakPolarHBondContact CA-O 3.25Å; I50-I78 HydrophobicContact CB-CB 4.35Å; I50-I78 HydrophobicContact CG2-CB 3.91Å; I50-I78 HydrophobicContact CG2-CG1 4.22Å; T51-I78 PolarHBondContact N-O 2.86Å; I78-V83 HydrophobicContact CG2-CG2 3.91Å; I78-M213 HydrophobicContact CG2-CG 3.99Å; I78-L216 HydrophobicContact CD1-CD2 4.24Å; I78-L216 HydrophobicContact CD1-CG 4.39Å; I78-L216 HydrophobicContact CG2-CD2 4.25Å; I78-L217 HydrophobicContact CG1-CD2 3.79Å; I78-L217 HydrophobicContact CG1-CG 4.43Å
79C98.2Very high97.7Very high0 Ų034.5 Ų34.50%017%0.169CC..EExtended strand (participates in β ladder)trans-107.6155.7171.165.30000110.4T51 Y61 A81 R82 V83T51-C79 HydrophobicContact CG2-CB 3.75Å; T51-C79 WeakPolarHBondContact O-CA 2.99Å; Y61-C79 HydrophobicContact CD2-CB 3.97Å; Y61-C79 HydrophobicContact CE2-CB 3.55Å; C79-A81 PolarHBondContact O-N 3.4Å; C79-R82 WeakPolarHBondContact O-CB 3.49Å; C79-R82 PolarHBondContact O-N 2.89Å; C79-V83 WeakPolarHBondContact O-CG2 3.4Å; C79-V83 PolarHBondContact O-N 3.21Å
80T98.4Very high97.6Very high0 Ų039.8 Ų39.80%018%0.184CC..Hα-helixtrans-61.6-26.5-179.948.10000114.1T51 N52 S54 V83 A84 T172 G207 M213T51-T80 PolarHBondContact O-N 2.94Å; N52-T80 HydrophobicContact CB-CG2 4.48Å; N52-T80 WeakPolarHBondContact O-CG2 3.39Å; N52-T80 PolarHBondContact O-OG1 2.94Å; S54-T80 WeakPolarHBondContact CB-OG1 3.24Å; S54-T80 PolarHBondContact N-OG1 3.05Å; T80-V83 PolarHBondContact O-N 3.46Å; T80-A84 VanDerWaalsContact O-CB 3.27Å; T80-A84 WeakPolarHBondContact O-CB 3.43Å; T80-A84 PolarHBondContact O-N 2.94Å; T80-T172 WeakPolarHBondContact CB-O 3.48Å; T80-T172 WeakPolarHBondContact CG2-O 3.42Å; T80-G207 VanDerWaalsContact CG2-CA 3.49Å; T80-M213 HydrophobicContact CG2-CE 3.61Å
81A98.5Very high97.5Very high0 Ų046 Ų460%021%0.212CC..Hα-helixtrans-60.8-45170.800000111.5C79 A85 I105 E108C79-A81 PolarHBondContact O-N 3.4Å; A81-A85 WeakPolarHBondContact O-CB 3.33Å; A81-A85 PolarHBondContact O-N 3.06Å; A81-I105 HydrophobicContact CB-CG1 4.09Å; A81-E108 HydrophobicContact CB-CB 4.36Å; A81-E108 HydrophobicContact CB-CG 3.87Å
82R98.4Very high97.3Very high50 Ų5044.6 Ų44.619%0.18920%0.201CC..Hα-helixtrans-66.3-44.6175.1179.6-175.3177.5169.11.3111.5V58 K74 I77 C79 A84 A85 C86 E108 L216V58-R82 HydrophobicContact CG2-CB 3.87Å; V58-R82 HydrophobicContact CG2-CG 4.15Å; K74-R82 PolarHBondContact O-NH1 2.87Å; I77-R82 PolarHBondContact O-NH1 3.18Å; C79-R82 WeakPolarHBondContact O-CB 3.49Å; C79-R82 PolarHBondContact O-N 2.89Å; R82-A84 VanDerWaalsContact C-N 3.31Å; R82-A84 PolarHBondContact O-N 3.5Å; R82-A85 PolarHBondContact O-N 3.48Å; R82-C86 WeakPolarHBondContact O-CB 3.22Å; R82-C86 PolarHBondContact O-N 3.49Å; R82-C86 PolarHBondContact O-SG 2.9Å; R82-C86 VanDerWaalsContact O-SG 3.37Å; R82-E108 HydrophobicContact CB-CG 4.42Å; R82-L216 HydrophobicContact CG-CD2 4.17Å
83V98.6Very high96.9Very high4 Ų450.1 Ų50.12%0.02424%0.24CC..Hα-helixtrans-57.6-47.4177.7-1790000110.4I78 C79 T80 F87 F206 P212 M213 L216I78-V83 HydrophobicContact CG2-CG2 3.91Å; C79-V83 WeakPolarHBondContact O-CG2 3.4Å; C79-V83 PolarHBondContact O-N 3.21Å; T80-V83 PolarHBondContact O-N 3.46Å; V83-F87 VanDerWaalsContact O-CB 3.31Å; V83-F87 WeakPolarHBondContact O-CB 3.41Å; V83-F87 PolarHBondContact O-N 3.18Å; V83-F206 HydrophobicContact CB-CB 4.29Å; V83-F206 HydrophobicContact CG1-CB 3.87Å; V83-F206 HydrophobicContact CG1-CD1 4.18Å; V83-F206 HydrophobicContact CG1-CG 4.28Å; V83-P212 HydrophobicContact CG1-CB 3.92Å; V83-M213 HydrophobicContact CG2-CB 4.27Å; V83-M213 HydrophobicContact CG2-CE 4.26Å; V83-M213 HydrophobicContact CG2-CG 4.27Å; V83-L216 HydrophobicContact CB-CD2 4.35Å; V83-L216 HydrophobicContact CG2-CD2 3.77Å
84A98.6Very high96.6Very high0 Ų051.5 Ų51.50%024%0.243CC..Hα-helixtrans-60.3-47.5176.900000111.7T80 R82 F87 L88 L144 F206T80-A84 VanDerWaalsContact O-CB 3.27Å; T80-A84 WeakPolarHBondContact O-CB 3.43Å; T80-A84 PolarHBondContact O-N 2.94Å; R82-A84 VanDerWaalsContact C-N 3.31Å; R82-A84 PolarHBondContact O-N 3.5Å; A84-F87 PolarHBondContact O-N 2.72Å; A84-L88 VanDerWaalsContact O-CB 3.3Å; A84-L88 WeakPolarHBondContact O-CB 3.15Å; A84-L88 WeakPolarHBondContact O-CG 3.24Å; A84-L88 PolarHBondContact O-N 3.23Å; A84-L144 HydrophobicContact CB-CD1 4.21Å; A84-L144 HydrophobicContact CB-CD2 3.88Å; A84-F206 HydrophobicContact CB-CD2 3.46Å; A84-F206 VanDerWaalsContact CB-CD2 3.46Å; A84-F206 HydrophobicContact CB-CE2 3.49Å; A84-F206 VanDerWaalsContact CB-CE2 3.49Å; A84-F206 HydrophobicContact CB-CG 4.27Å; A84-F206 HydrophobicContact CB-CZ 4.36Å
85A98.4Very high96.6Very high0 Ų047.4 Ų47.40%023%0.23CC..Hα-helixtrans-65.3-44.6-177.800000113A81 R82 F87 L88 R89 E108 L109 S112A81-A85 WeakPolarHBondContact O-CB 3.33Å; A81-A85 PolarHBondContact O-N 3.06Å; R82-A85 PolarHBondContact O-N 3.48Å; A85-F87 VanDerWaalsContact C-N 3.34Å; A85-F87 PolarHBondContact O-N 2.69Å; A85-L88 PolarHBondContact O-N 2.88Å; A85-R89 WeakPolarHBondContact O-CB 3.45Å; A85-R89 PolarHBondContact O-N 3Å; A85-E108 VanDerWaalsContact CB-C 3.45Å; A85-E108 HydrophobicContact CB-CB 3.75Å; A85-E108 VanDerWaalsContact CB-O 3.31Å; A85-E108 WeakPolarHBondContact CB-O 3.25Å; A85-L109 HydrophobicContact CB-CD2 3.99Å; A85-L109 HydrophobicContact CB-CG 4.44Å; A85-S112 WeakPolarHBondContact CB-OG 3.21Å
86C97.5Very high96.7Very high41 Ų4143 Ų4328%0.27722%0.216SC..Hα-helixtrans-61.9-42.4174.9-670000111.6R82 L216R82-C86 WeakPolarHBondContact O-CB 3.22Å; R82-C86 PolarHBondContact O-N 3.49Å; R82-C86 PolarHBondContact O-SG 2.9Å; R82-C86 VanDerWaalsContact O-SG 3.37Å; C86-L216 HydrophobicContact CB-CD1 4.35Å
87F98Very high96.7Very high59 Ų5942.1 Ų42.126%0.25921%0.211SC..Hα-helixtrans-65.2-46.1177.5-177.3-86.2000112.1V83 A84 A85 R89 E90 K91 Y170 F206V83-F87 VanDerWaalsContact O-CB 3.31Å; V83-F87 WeakPolarHBondContact O-CB 3.41Å; V83-F87 PolarHBondContact O-N 3.18Å; A84-F87 PolarHBondContact O-N 2.72Å; A85-F87 VanDerWaalsContact C-N 3.34Å; A85-F87 PolarHBondContact O-N 2.69Å; F87-R89 PolarHBondContact O-N 3.47Å; F87-E90 PolarHBondContact O-N 3.48Å; F87-K91 HydrophobicContact CD1-CG 4.01Å; F87-K91 HydrophobicContact CE1-CG 3.61Å; F87-K91 HydrophobicContact CZ-CG 4.04Å; F87-K91 WeakPolarHBondContact O-CG 3.46Å; F87-K91 PolarHBondContact O-N 3.37Å; F87-Y170 HydrophobicContact CD1-CE1 4.28Å; F87-Y170 HydrophobicContact CE1-CD1 4.31Å; F87-Y170 AromaticContact CE1-CE1 3.52Å; F87-Y170 HydrophobicContact CE1-CE1 3.52Å; F87-Y170 AromaticContact CE1-CZ 3.91Å; F87-Y170 HydrophobicContact CZ-CE1 4.27Å; F87-F206 HydrophobicContact CB-CE1 3.83Å; F87-F206 HydrophobicContact CB-CZ 4.25Å; F87-F206 AromaticContact CD1-CE1 3.59Å; F87-F206 HydrophobicContact CD1-CE1 3.59Å; F87-F206 AromaticContact CD1-CZ 3.71Å; F87-F206 HydrophobicContact CD1-CZ 3.71Å; F87-F206 HydrophobicContact CD2-CE1 4.12Å; F87-F206 HydrophobicContact CE1-CE1 4.14Å; F87-F206 HydrophobicContact CE1-CZ 4.32Å; F87-F206 AromaticContact CG-CE1 3.57Å; F87-F206 HydrophobicContact CG-CE1 3.57Å; F87-F206 HydrophobicContact CG-CZ 4.1Å
88L98.1Very high96.8Very high0 Ų042.1 Ų42.10%021%0.211CC..Hα-helixtrans-70.6-32-175.4-70.3169000112.5A84 A85 E90 K91 I92 V97 L109 V114 A142 L144 Y170A84-L88 VanDerWaalsContact O-CB 3.3Å; A84-L88 WeakPolarHBondContact O-CB 3.15Å; A84-L88 WeakPolarHBondContact O-CG 3.24Å; A84-L88 PolarHBondContact O-N 3.23Å; A85-L88 PolarHBondContact O-N 2.88Å; L88-E90 PolarHBondContact O-N 2.8Å; L88-K91 PolarHBondContact O-N 3.43Å; L88-I92 HydrophobicContact CB-CD1 4.46Å; L88-I92 HydrophobicContact CD2-CD1 3.74Å; L88-I92 HydrophobicContact CD2-CG1 4.46Å; L88-I92 PolarHBondContact O-N 3.03Å; L88-V97 HydrophobicContact CD1-CG1 4.37Å; L88-V97 HydrophobicContact CD1-CG2 4.31Å; L88-L109 HydrophobicContact CD1-CD2 3.97Å; L88-V114 HydrophobicContact CB-CG1 4.42Å; L88-V114 HydrophobicContact CB-CG2 4.42Å; L88-A142 HydrophobicContact CD2-CB 4.46Å; L88-L144 HydrophobicContact CD1-CD2 3.91Å; L88-Y170 HydrophobicContact CD2-CD2 3.78Å; L88-Y170 HydrophobicContact CD2-CE2 3.62Å; L88-Y170 HydrophobicContact CD2-CG 4.4Å
89R96.9Very high96.8Very high157 Ų15742.1 Ų42.159%0.59221%0.211SC*.Hα-helixtrans-54.3-40.4172178.5-177.4171.9-171.9-2.7112.4A85 F87 K91 V114A85-R89 WeakPolarHBondContact O-CB 3.45Å; A85-R89 PolarHBondContact O-N 3Å; F87-R89 PolarHBondContact O-N 3.47Å; R89-K91 VanDerWaalsContact C-N 3.32Å; R89-V114 HydrophobicContact CB-CG2 4.07Å
90E95.3Very high96.8Very high145 Ų14542.1 Ų42.168%0.67821%0.211SC*.THydrogen-bonded Turntrans-80.5-13.5179.9-58.9-57.6135.700113.1F87 L88F87-E90 PolarHBondContact O-N 3.48Å; L88-E90 PolarHBondContact O-N 2.8Å
91K94.4Very high96.8Very high132 Ų13242.1 Ų42.157%0.57421%0.211SC*.THydrogen-bonded Turntrans-107.9-24.2-175.3-66.1-59.7-179.6-171.80114.3F87 L88 R89F87-K91 HydrophobicContact CD1-CG 4.01Å; F87-K91 HydrophobicContact CE1-CG 3.61Å; F87-K91 HydrophobicContact CZ-CG 4.04Å; F87-K91 WeakPolarHBondContact O-CG 3.46Å; F87-K91 PolarHBondContact O-N 3.37Å; L88-K91 PolarHBondContact O-N 3.43Å; R89-K91 VanDerWaalsContact C-N 3.32Å
92I92.5Very high96.8Very high21 Ų2144 Ų4411%0.10822%0.22CC..  trans-123.696.2-173-57.5179.1000108L88 D94 V97 K141 A142L88-I92 HydrophobicContact CB-CD1 4.46Å; L88-I92 HydrophobicContact CD2-CD1 3.74Å; L88-I92 HydrophobicContact CD2-CG1 4.46Å; L88-I92 PolarHBondContact O-N 3.03Å; I92-D94 WeakPolarHBondContact CG2-O 3.24Å; I92-V97 HydrophobicContact CD1-CG2 3.42Å; I92-V97 VanDerWaalsContact CD1-CG2 3.42Å; I92-K141 HydrophobicContact CD1-CB 4.28Å; I92-K141 HydrophobicContact CG1-CB 4.4Å; I92-K141 HydrophobicContact CG2-CB 4.34Å; I92-K141 HydrophobicContact CG2-CG 4.27Å; I92-A142 HydrophobicContact CD1-CB 3.64Å
93S88.5Confident96.8Very high122 Ų12244.1 Ų44.185%0.85323%0.228SC*.SBendtrans-87-25.8174.550.20000113.1
94D91.9Very high96.8Very high85 Ų8544 Ų4446%0.45523%0.227SC..SBendtrans-139.9147.3179.872.1-53.9000110.4I92 K141I92-D94 WeakPolarHBondContact CG2-O 3.24Å; D94-K141 WeakPolarHBondContact O-CE 3.42Å; D94-K141 WeakPolarHBondContact O-CG 3.38Å; D94-K141 IonicContact OD1-NZ 2.87Å; D94-K141 VanDerWaalsContact OD2-CE 3.27Å; D94-K141 WeakPolarHBondContact OD2-CE 3.29Å; D94-K141 IonicContact OD2-NZ 3.83Å; D94-K141 PolarHBondContact OD2-NZ 2.87Å
95G96.4Very high96.8Very high18 Ų1844 Ų4419%0.18623%0.227CC..SBendtrans90.4-169.5178.600000114.6N139G95-N139 WeakPolarHBondContact CA-ND2 3.34Å; G95-N139 VanDerWaalsContact CA-O 3.27Å; G95-N139 WeakPolarHBondContact CA-O 3.06Å; G95-N139 PolarHBondContact N-ND2 2.86Å
96E98Very high96.8Very high48 Ų4844.8 Ų44.822%0.22423%0.233CC..EExtended strand (participates in β ladder)trans-122.4152.4-169.5-62.8-176.598.400112.5S115 F117 R137 N139 V140 K141E96-S115 WeakPolarHBondContact CA-O 3.43Å; E96-F117 HydrophobicContact CB-CD1 3.97Å; E96-F117 HydrophobicContact CB-CE1 3.89Å; E96-R137 IonicContact OE1-NH1 3.13Å; E96-R137 PolarHBondContact OE1-NH1 3.23Å; E96-R137 IonicContact OE2-NH1 3.05Å; E96-N139 PolarHBondContact N-O 3.4Å; E96-V140 WeakPolarHBondContact O-CA 3.23Å; E96-K141 PolarHBondContact O-N 3.06Å
97V98.7Very high96.8Very high0 Ų044.6 Ų44.60%023%0.234CC..EExtended strand (participates in β ladder)trans-97.7122.8166.8-174.60000109.2L88 I92 V99 V114 S115 H116 F117 A142 L144L88-V97 HydrophobicContact CD1-CG1 4.37Å; L88-V97 HydrophobicContact CD1-CG2 4.31Å; I92-V97 HydrophobicContact CD1-CG2 3.42Å; I92-V97 VanDerWaalsContact CD1-CG2 3.42Å; V97-V99 HydrophobicContact CB-CG2 4.4Å; V97-V99 HydrophobicContact CG1-CG2 3.92Å; V97-V99 PolarHBondContact O-N 3.29Å; V97-V114 HydrophobicContact CG2-CG1 3.62Å; V97-S115 PolarHBondContact N-O 2.97Å; V97-H116 HydrophobicContact CB-CB 4.13Å; V97-H116 WeakPolarHBondContact O-CA 3.46Å; V97-H116 WeakPolarHBondContact O-CB 3.5Å; V97-F117 PolarHBondContact O-N 2.94Å; V97-F117 VanDerWaalsContact O-N 3.09Å; V97-A142 WeakPolarHBondContact CA-O 3.32Å; V97-A142 HydrophobicContact CG1-CB 4.3Å; V97-A142 HydrophobicContact CG2-CB 4.33Å; V97-L144 HydrophobicContact CG1-CB 3.73Å
98Y98.7Very high96.9Very high3 Ų342.6 Ų42.61%0.01223%0.226CC..EExtended strand (participates in β ladder)trans-80118.3166180-116.9000109.3V100 F117 A142 V143 L144 K155 R158 Y162Y98-V100 HydrophobicContact CD1-CG2 4.26Å; Y98-V100 HydrophobicContact CE1-CG2 3.62Å; Y98-F117 AromaticContact CD2-CD2 3.81Å; Y98-F117 HydrophobicContact CD2-CD2 3.81Å; Y98-F117 HydrophobicContact CD2-CE1 4.41Å; Y98-F117 AromaticContact CD2-CE2 3.35Å; Y98-F117 HydrophobicContact CD2-CE2 3.35Å; Y98-F117 AromaticContact CD2-CZ 3.68Å; Y98-F117 HydrophobicContact CD2-CZ 3.68Å; Y98-F117 HydrophobicContact CE2-CD2 4.29Å; Y98-F117 AromaticContact CE2-CE2 3.95Å; Y98-F117 HydrophobicContact CE2-CE2 3.95Å; Y98-F117 HydrophobicContact CG-CE2 4.3Å; Y98-F117 HydrophobicContact CG-CZ 4.21Å; Y98-A142 PolarHBondContact N-O 3.28Å; Y98-V143 HydrophobicContact CD1-CG1 4.14Å; Y98-V143 HydrophobicContact CD1-CG2 4.32Å; Y98-V143 CarbonylContact O-C 3.53Å; Y98-V143 WeakPolarHBondContact O-CA 3.35Å; Y98-L144 PolarHBondContact O-N 2.94Å; Y98-K155 VanDerWaalsContact OH-CA 3.28Å; Y98-K155 WeakPolarHBondContact OH-CA 3.24Å; Y98-R158 HydrophobicContact CE1-CB 4.13Å; Y98-Y162 AromaticContact CD1-CD2 3.81Å; Y98-Y162 HydrophobicContact CD1-CD2 3.81Å; Y98-Y162 HydrophobicContact CD1-CE2 4.08Å; Y98-Y162 HydrophobicContact CD2-CD2 4.5Å; Y98-Y162 HydrophobicContact CD2-CE2 4.01Å; Y98-Y162 AromaticContact CG-CD2 3.76Å; Y98-Y162 HydrophobicContact CG-CD2 3.76Å; Y98-Y162 AromaticContact CG-CE2 3.73Å; Y98-Y162 HydrophobicContact CG-CE2 3.73Å
99V98.8Very high96.9Very high0 Ų042.6 Ų42.60%023%0.226CC..EExtended strand (participates in β ladder)trans-107.4125.2-175.7-175.40000109.8V97 I105 L109 H116 F117 G118 I119 L144V97-V99 HydrophobicContact CB-CG2 4.4Å; V97-V99 HydrophobicContact CG1-CG2 3.92Å; V97-V99 PolarHBondContact O-N 3.29Å; V99-I105 HydrophobicContact CG1-CB 4.28Å; V99-I105 HydrophobicContact CG1-CD1 4.38Å; V99-I105 HydrophobicContact CG1-CG2 3.7Å; V99-I105 HydrophobicContact CG2-CG2 4.46Å; V99-L109 HydrophobicContact CG2-CD1 3.66Å; V99-H116 HydrophobicContact CG2-CB 3.93Å; V99-F117 PolarHBondContact N-O 2.77Å; V99-G118 CarbonylContact O-C 3.47Å; V99-G118 VanDerWaalsContact O-C 3.23Å; V99-G118 WeakPolarHBondContact O-CA 3.43Å; V99-I119 HydrophobicContact CB-CD1 4.09Å; V99-I119 HydrophobicContact CG1-CD1 3.54Å; V99-L144 WeakPolarHBondContact CA-O 3.33Å
100V98.8Very high96.9Very high0 Ų040.2 Ų40.20%023%0.225CC..EExtended strand (participates in β ladder)trans-104.699.8163.91790000105.6Y98 L144 V145 G146 D148 F151 K155 I191 F195Y98-V100 HydrophobicContact CD1-CG2 4.26Å; Y98-V100 HydrophobicContact CE1-CG2 3.62Å; V100-L144 PolarHBondContact N-O 3.35Å; V100-V145 HydrophobicContact CB-CG2 4.47Å; V100-G146 PolarHBondContact O-N 2.9Å; V100-D148 HydrophobicContact CG1-CB 3.92Å; V100-D148 WeakPolarHBondContact CG1-OD2 3.35Å; V100-F151 HydrophobicContact CG1-CD2 4.01Å; V100-K155 HydrophobicContact CG1-CD 4.49Å; V100-K155 HydrophobicContact CG2-CB 4.4Å; V100-I191 HydrophobicContact CG1-CG2 4.19Å; V100-F195 HydrophobicContact CB-CE2 4.46Å; V100-F195 HydrophobicContact CG1-CE2 4.23Å; V100-F195 HydrophobicContact CG2-CE2 4.14Å; V100-F195 HydrophobicContact CG2-CZ 3.76Å
101G98.4Very high97.1Very high0 Ų038.9 Ų38.90%022%0.219CC..SBendtrans176.3177.7-169.900000114.7I119 F147 D148G101-I119 WeakPolarHBondContact O-CD1 3.48Å; G101-F147 CarbonylContact C-O 3.51Å; G101-F147 WeakPolarHBondContact CA-O 3.2Å; G101-D148 PolarHBondContact N-OD2 3.41Å
102E98Very high97.2Very high39 Ų3933.5 Ų33.518%0.18220%0.197CC..  trans-89.7168.8177-67.3-63.8168.100113.6R55 G104 I105 I119 F147 S149R55-E102 HydrophobicContact CB-CB 4.25Å; R55-E102 HydrophobicContact CB-CG 4.3Å; R55-E102 HydrophobicContact CG-CB 4.31Å; R55-E102 HydrophobicContact CG-CG 3.92Å; E102-G104 PolarHBondContact O-N 2.81Å; E102-G104 VanDerWaalsContact O-N 3.1Å; E102-I105 PolarHBondContact O-N 3.5Å; E102-I119 WeakPolarHBondContact O-CD1 3.5Å; E102-F147 HydrophobicContact CG-CD1 4.2Å; E102-F147 WeakPolarHBondContact CG-O 3.49Å; E102-F147 PolarHBondContact N-O 2.87Å; E102-S149 WeakPolarHBondContact OE1-CB 3.18Å; E102-S149 PolarHBondContact OE1-N 2.79Å; E102-S149 PolarHBondContact OE1-OG 3.24Å
103S97.9Very high97.4Very high53 Ų5335.7 Ų35.737%0.37123%0.225SC..Hα-helixtrans-55.7-29.7-17558.50000115I105 S106 A107S103-I105 PolarHBondContact O-N 3.19Å; S103-S106 WeakPolarHBondContact CA-OG 3.47Å; S103-S106 PolarHBondContact O-N 2.88Å; S103-S106 VanDerWaalsContact O-N 3.1Å; S103-S106 PolarHBondContact O-OG 3.17Å; S103-A107 PolarHBondContact O-N 2.82Å
104G98.5Very high97.8Very high0 Ų030.2 Ų30.20%019%0.187CC..Hα-helixtrans-56.1-36175.900000113.2R55 E102 E108R55-G104 WeakPolarHBondContact O-CA 3.37Å; R55-G104 PolarHBondContact O-N 3.35Å; E102-G104 PolarHBondContact O-N 2.81Å; E102-G104 VanDerWaalsContact O-N 3.1Å; G104-E108 WeakPolarHBondContact O-CG 3.26Å; G104-E108 PolarHBondContact O-N 2.88Å
105I98.8Very high98.1Very high0 Ų029.6 Ų29.60%019%0.189CC..Hα-helixtrans-67.5-48.7175-64.8166000110.2A81 V99 E102 S103 A107 E108 L109 L144 T172A81-I105 HydrophobicContact CB-CG1 4.09Å; V99-I105 HydrophobicContact CG1-CB 4.28Å; V99-I105 HydrophobicContact CG1-CD1 4.38Å; V99-I105 HydrophobicContact CG1-CG2 3.7Å; V99-I105 HydrophobicContact CG2-CG2 4.46Å; E102-I105 PolarHBondContact O-N 3.5Å; S103-I105 PolarHBondContact O-N 3.19Å; I105-A107 VanDerWaalsContact C-N 3.29Å; I105-A107 PolarHBondContact O-N 3.44Å; I105-E108 PolarHBondContact O-N 3.05Å; I105-L109 HydrophobicContact CG2-CD1 3.71Å; I105-L109 HydrophobicContact CG2-CG 4.2Å; I105-L109 WeakPolarHBondContact O-CG 3.47Å; I105-L109 PolarHBondContact O-N 2.63Å; I105-L144 HydrophobicContact CG2-CD2 3.62Å; I105-T172 HydrophobicContact CD1-CG2 3.91Å; I105-T172 HydrophobicContact CG1-CG2 4.36Å
106S98.4Very high98.2Very high18 Ų1830.4 Ų30.413%0.12619%0.188CC..Hα-helixtrans-60.6-37.917948.60000113.5S103 L109 N110 H116S103-S106 WeakPolarHBondContact CA-OG 3.47Å; S103-S106 PolarHBondContact O-N 2.88Å; S103-S106 VanDerWaalsContact O-N 3.1Å; S103-S106 PolarHBondContact O-OG 3.17Å; S106-L109 PolarHBondContact O-N 2.8Å; S106-N110 VanDerWaalsContact O-CB 3.3Å; S106-N110 WeakPolarHBondContact O-CB 3.47Å; S106-N110 VanDerWaalsContact O-CG 3.25Å; S106-N110 PolarHBondContact O-N 2.85Å; S106-N110 PolarHBondContact O-ND2 3.01Å; S106-N110 VanDerWaalsContact O-ND2 3.08Å; S106-H116 VanDerWaalsContact CA-NE2 3.3Å; S106-H116 WeakPolarHBondContact CA-NE2 3.3Å; S106-H116 WeakPolarHBondContact CB-NE2 3.39Å; S106-H116 PolarHBondContact O-CE1 3.17Å
107A98.6Very high98.2Very high37 Ų3729.4 Ų29.431%0.30618%0.183SC..Hα-helixtrans-63.7-42.317900000111.7S103 I105 E111S103-A107 PolarHBondContact O-N 2.82Å; I105-A107 VanDerWaalsContact C-N 3.29Å; I105-A107 PolarHBondContact O-N 3.44Å; A107-E111 PolarHBondContact O-N 3.37Å
108E98.7Very high98.2Very high17 Ų1730.6 Ų30.68%0.07920%0.195CC..Hα-helixtrans-71.3-37.6177-64-61.8134.400112.3S57 V58 A81 R82 A85 G104 I105 E111 S112S57-E108 WeakPolarHBondContact CA-OE1 3.44Å; S57-E108 VanDerWaalsContact CB-OE1 3.25Å; S57-E108 WeakPolarHBondContact CB-OE1 3.5Å; V58-E108 WeakPolarHBondContact CB-OE1 3.4Å; V58-E108 WeakPolarHBondContact CG2-OE1 3.27Å; V58-E108 PolarHBondContact N-OE1 3.11Å; A81-E108 HydrophobicContact CB-CB 4.36Å; A81-E108 HydrophobicContact CB-CG 3.87Å; R82-E108 HydrophobicContact CB-CG 4.42Å; A85-E108 VanDerWaalsContact CB-C 3.45Å; A85-E108 HydrophobicContact CB-CB 3.75Å; A85-E108 VanDerWaalsContact CB-O 3.31Å; A85-E108 WeakPolarHBondContact CB-O 3.25Å; G104-E108 WeakPolarHBondContact O-CG 3.26Å; G104-E108 PolarHBondContact O-N 2.88Å; I105-E108 PolarHBondContact O-N 3.05Å; E108-E111 PolarHBondContact O-N 2.8Å; E108-S112 WeakPolarHBondContact O-CB 3.44Å; E108-S112 PolarHBondContact O-N 3.42Å; E108-S112 PolarHBondContact O-OG 2.78Å
109L98.6Very high98.1Very high0 Ų033.2 Ų33.20%021%0.208CC..Hα-helixtrans-63.7-43.6174.1-69.7173.2000111.7A85 L88 V99 I105 S106 S112 G113 V114 H116 L144A85-L109 HydrophobicContact CB-CD2 3.99Å; A85-L109 HydrophobicContact CB-CG 4.44Å; L88-L109 HydrophobicContact CD1-CD2 3.97Å; V99-L109 HydrophobicContact CG2-CD1 3.66Å; I105-L109 HydrophobicContact CG2-CD1 3.71Å; I105-L109 HydrophobicContact CG2-CG 4.2Å; I105-L109 WeakPolarHBondContact O-CG 3.47Å; I105-L109 PolarHBondContact O-N 2.63Å; S106-L109 PolarHBondContact O-N 2.8Å; L109-S112 CarbonylContact O-C 3.58Å; L109-S112 PolarHBondContact O-N 2.79Å; L109-S112 VanDerWaalsContact O-N 3.14Å; L109-G113 PolarHBondContact O-N 2.87Å; L109-V114 HydrophobicContact CB-CB 4.24Å; L109-V114 HydrophobicContact CD2-CB 3.84Å; L109-V114 HydrophobicContact CD2-CG1 3.84Å; L109-V114 HydrophobicContact CD2-CG2 4.32Å; L109-V114 PolarHBondContact O-N 3.28Å; L109-H116 HydrophobicContact CD1-CB 3.87Å; L109-L144 HydrophobicContact CD1-CD2 4.47Å
110N98.3Very high98Very high107 Ų10734 Ų3457%0.57222%0.217SC*.Hα-helixtrans-60.1-46.8174.5-79.4-35.6000111.8S106 S112 G113 H116S106-N110 VanDerWaalsContact O-CB 3.3Å; S106-N110 WeakPolarHBondContact O-CB 3.47Å; S106-N110 VanDerWaalsContact O-CG 3.25Å; S106-N110 PolarHBondContact O-N 2.85Å; S106-N110 PolarHBondContact O-ND2 3.01Å; S106-N110 VanDerWaalsContact O-ND2 3.08Å; N110-S112 PolarHBondContact O-N 2.85Å; N110-G113 PolarHBondContact O-N 2.87Å; N110-G113 VanDerWaalsContact O-N 3.09Å; N110-H116 PolarHBondContact OD1-CE1 2.77Å
111E97.6Very high97.8Very high117 Ų11739 Ų3955%0.54725%0.249SC..Hα-helixtrans-60.9-29.1176.9-165.692.9160.300111.6K59 A107 E108K59-E111 IonicContact NZ-OE1 2.96Å; K59-E111 PolarHBondContact NZ-OE1 2.62Å; K59-E111 IonicContact NZ-OE2 3.09Å; K59-E111 PolarHBondContact NZ-OE2 3.05Å; A107-E111 PolarHBondContact O-N 3.37Å; E108-E111 PolarHBondContact O-N 2.8Å
112S96.8Very high97.5Very high18 Ų1840.3 Ų40.313%0.12626%0.256CS..THydrogen-bonded Turntrans-90.6-0.8179.2-56.70000114.1A85 E108 L109 N110 V114A85-S112 WeakPolarHBondContact CB-OG 3.21Å; E108-S112 WeakPolarHBondContact O-CB 3.44Å; E108-S112 PolarHBondContact O-N 3.42Å; E108-S112 PolarHBondContact O-OG 2.78Å; L109-S112 CarbonylContact O-C 3.58Å; L109-S112 PolarHBondContact O-N 2.79Å; L109-S112 VanDerWaalsContact O-N 3.14Å; N110-S112 PolarHBondContact O-N 2.85Å; S112-V114 VanDerWaalsContact C-N 3.32Å
113G96.9Very high97.1Very high67 Ų6745.6 Ų45.669%0.69128%0.279SS*.THydrogen-bonded Turntrans7122.5-178.300000114.6L109 N110L109-G113 PolarHBondContact O-N 2.87Å; N110-G113 PolarHBondContact O-N 2.87Å; N110-G113 VanDerWaalsContact O-N 3.09Å
114V98.1Very high96.5Very high7 Ų748.1 Ų48.14%0.04229%0.294CS..  trans-93.1113.7-179.4-178.50000110.2L88 R89 V97 L109 S112 H116L88-V114 HydrophobicContact CB-CG1 4.42Å; L88-V114 HydrophobicContact CB-CG2 4.42Å; R89-V114 HydrophobicContact CB-CG2 4.07Å; V97-V114 HydrophobicContact CG2-CG1 3.62Å; L109-V114 HydrophobicContact CB-CB 4.24Å; L109-V114 HydrophobicContact CD2-CB 3.84Å; L109-V114 HydrophobicContact CD2-CG1 3.84Å; L109-V114 HydrophobicContact CD2-CG2 4.32Å; L109-V114 PolarHBondContact O-N 3.28Å; S112-V114 VanDerWaalsContact C-N 3.32Å; V114-H116 PolarHBondContact O-ND1 3.19Å
115S98Very high96Very high73 Ų7350.1 Ų50.151%0.5131%0.306SS..  trans-63.1132.4175.3-63.50000111.3E96 V97E96-S115 WeakPolarHBondContact CA-O 3.43Å; V97-S115 PolarHBondContact N-O 2.97Å
116H98.4Very high95.4Very high34 Ų3453.4 Ų53.416%0.15732%0.324CS..EExtended strand (participates in β ladder)trans-156.6163.9-174.965.3-77.8000112.6V97 V99 S106 L109 N110 V114V97-H116 HydrophobicContact CB-CB 4.13Å; V97-H116 WeakPolarHBondContact O-CA 3.46Å; V97-H116 WeakPolarHBondContact O-CB 3.5Å; V99-H116 HydrophobicContact CG2-CB 3.93Å; S106-H116 VanDerWaalsContact CA-NE2 3.3Å; S106-H116 WeakPolarHBondContact CA-NE2 3.3Å; S106-H116 WeakPolarHBondContact CB-NE2 3.39Å; S106-H116 PolarHBondContact O-CE1 3.17Å; L109-H116 HydrophobicContact CD1-CB 3.87Å; N110-H116 PolarHBondContact OD1-CE1 2.77Å; V114-H116 PolarHBondContact O-ND1 3.19Å
117F98.2Very high94.9Very high28 Ų2858 Ų5812%0.12336%0.356CS..EExtended strand (participates in β ladder)trans-154.7169.2174.967.9-76.7000110.6E96 V97 Y98 V99 R137 V140 Y162E96-F117 HydrophobicContact CB-CD1 3.97Å; E96-F117 HydrophobicContact CB-CE1 3.89Å; V97-F117 PolarHBondContact O-N 2.94Å; V97-F117 VanDerWaalsContact O-N 3.09Å; Y98-F117 AromaticContact CD2-CD2 3.81Å; Y98-F117 HydrophobicContact CD2-CD2 3.81Å; Y98-F117 HydrophobicContact CD2-CE1 4.41Å; Y98-F117 AromaticContact CD2-CE2 3.35Å; Y98-F117 HydrophobicContact CD2-CE2 3.35Å; Y98-F117 AromaticContact CD2-CZ 3.68Å; Y98-F117 HydrophobicContact CD2-CZ 3.68Å; Y98-F117 HydrophobicContact CE2-CD2 4.29Å; Y98-F117 AromaticContact CE2-CE2 3.95Å; Y98-F117 HydrophobicContact CE2-CE2 3.95Å; Y98-F117 HydrophobicContact CG-CE2 4.3Å; Y98-F117 HydrophobicContact CG-CZ 4.21Å; V99-F117 PolarHBondContact N-O 2.77Å; F117-R137 HydrophobicContact CE2-CG 4.22Å; F117-R137 HydrophobicContact CZ-CB 4.19Å; F117-R137 HydrophobicContact CZ-CG 4.18Å; F117-V140 HydrophobicContact CE1-CG2 3.79Å; F117-V140 HydrophobicContact CZ-CG2 3.76Å; F117-Y162 HydrophobicContact CE2-CE2 4.32Å; F117-Y162 AromaticContact CZ-CE2 3.94Å; F117-Y162 HydrophobicContact CZ-CE2 3.94Å; F117-Y162 AromaticContact CZ-CZ 3.91Å
118G97.4Very high94.6Very high24 Ų2461.3 Ų61.325%0.24738%0.377CS..  trans109.9-8.2174.500000115.9V99 K155V99-G118 CarbonylContact O-C 3.47Å; V99-G118 VanDerWaalsContact O-C 3.23Å; V99-G118 WeakPolarHBondContact O-CA 3.43Å; G118-K155 WeakPolarHBondContact O-CE 3.26Å; G118-K155 PolarHBondContact O-NZ 2.68Å
119I97.7Very high94.1Very high58 Ų5864 Ų6430%0.29739%0.392SS..  trans-63.2142.5171.5-59.2-61.1000110.8V99 G101 E102V99-I119 HydrophobicContact CB-CD1 4.09Å; V99-I119 HydrophobicContact CG1-CD1 3.54Å; G101-I119 WeakPolarHBondContact O-CD1 3.48Å; E102-I119 WeakPolarHBondContact O-CD1 3.5Å
120G96.3Very high93.6Very high18 Ų1866.6 Ų66.619%0.18641%0.408CS..SBendtrans89.7-176.4178.900000113.3K155G120-K155 WeakPolarHBondContact O-CE 3.49Å; G120-K155 PolarHBondContact O-NZ 3.13Å
121P95.1Very high93.2Very high104 Ų10467.4 Ų67.468%0.67541%0.412SS*.  trans-67145.2-177.328-34.4000113H150P121-H150 HydrophobicContact CB-CB 4.48Å
122D92.5Very high92.7Very high27 Ų2767.4 Ų67.414%0.14441%0.412CS..  trans-107.6161.9163.5-152.4-26.7000108.9N152 R154 K155 R158D122-N152 PolarHBondContact O-ND2 2.68Å; D122-N152 VanDerWaalsContact O-ND2 3.15Å; D122-R154 HydrophobicContact CB-CB 4.38Å; D122-K155 HydrophobicContact CB-CG 3.92Å; D122-R158 VanDerWaalsContact CG-NH1 3.29Å; D122-R158 IonicContact OD1-NH1 2.98Å; D122-R158 PolarHBondContact OD1-NH1 3.37Å; D122-R158 VanDerWaalsContact OD1-NH1 3.13Å; D122-R158 IonicContact OD2-CZ 3.84Å; D122-R158 IonicContact OD2-NH1 3.21Å; D122-R158 PolarHBondContact OD2-NH1 3.11Å
123F87.9Confident92.1Very high151 Ų15168.7 Ų68.766%0.66243%0.428SS*.PPolyproline II helixtrans-61.3150.7-178.1-67.2-75.5000111.9N152 R154F123-N152 PolarHBondContact O-ND2 3.16Å; F123-R154 WeakPolarHBondContact O-CD 3.41Å; F123-R154 VanDerWaalsContact O-CG 3.31Å; F123-R154 WeakPolarHBondContact O-CG 3.42Å; F123-R154 PolarHBondContact O-NE 2.91Å; F123-R154 VanDerWaalsContact O-NE 3.1Å
124P86.9Confident91.7Very high105 Ų10567.1 Ų67.168%0.68241%0.405SS*.PPolyproline II helixtrans-62.3152.6168.727-33.3000110.8R154P124-R154 VanDerWaalsContact O-CZ 3.3Å; P124-R154 PolarHBondContact O-NE 2.86Å; P124-R154 PolarHBondContact O-NH2 3.31Å
125V86.6Confident91.3Very high42 Ų4274 Ų7426%0.25544%0.437SS..PPolyproline II helixtrans-77.3132.3176.6179.80000109.4P130 Y153 R154V125-P130 HydrophobicContact CG1-CB 3.78Å; V125-P130 HydrophobicContact CG1-CG 4.4Å; V125-Y153 HydrophobicContact CG2-CD1 4.04Å; V125-Y153 HydrophobicContact CG2-CG 4.49Å; V125-R154 HydrophobicContact CG2-CB 4.47Å; V125-R154 HydrophobicContact CG2-CG 3.5Å
126D87.4Confident91.2Very high70 Ų7073.9 Ų73.937%0.37443%0.43SS..PPolyproline II helixtrans-77.8118.2165.3-178.1-15.4000108.4S128 N129 P130D126-S128 VanDerWaalsContact CG-OG 3.24Å; D126-S128 PolarHBondContact O-N 3.44Å; D126-S128 WeakPolarHBondContact OD1-CB 3.27Å; D126-S128 PolarHBondContact OD1-N 2.81Å; D126-S128 PolarHBondContact OD1-OG 2.84Å; D126-S128 PolarHBondContact OD2-OG 2.87Å; D126-N129 CarbonylContact O-C 3.52Å; D126-N129 PolarHBondContact O-N 3.44Å; D126-P130 VanDerWaalsContact O-CA 3.23Å; D126-P130 WeakPolarHBondContact O-CA 3.34Å
127S86.2Confident91.1Very high115 Ų11578.2 Ų78.280%0.80445%0.445SS*.SBendtrans-67.4-24.3-178.2-60.20000113.2
128S92.1Very high90.9Very high106 Ų10682.1 Ų82.174%0.74147%0.473SS*.SBendtrans-77.6-29.8177.971.80000112.6D126D126-S128 VanDerWaalsContact CG-OG 3.24Å; D126-S128 PolarHBondContact O-N 3.44Å; D126-S128 WeakPolarHBondContact OD1-CB 3.27Å; D126-S128 PolarHBondContact OD1-N 2.81Å; D126-S128 PolarHBondContact OD1-OG 2.84Å; D126-S128 PolarHBondContact OD2-OG 2.87Å
129N89.2Confident90.8Very high74 Ų7485 Ų8540%0.39648%0.483SS..  trans-145.284.5173.4-174.1-5.1000110.6D126 L131 H132D126-N129 CarbonylContact O-C 3.52Å; D126-N129 PolarHBondContact O-N 3.44Å; N129-L131 PolarHBondContact O-N 3.04Å; N129-L131 PolarHBondContact OD1-N 3.45Å; N129-H132 HydrophobicContact CB-CB 4.03Å; N129-H132 VanDerWaalsContact O-CB 3.28Å; N129-H132 WeakPolarHBondContact O-CB 3.46Å; N129-H132 PolarHBondContact O-N 3.32Å; N129-H132 PolarHBondContact OD1-N 3.37Å
130P88Confident90.8Very high53 Ų5383 Ų8334%0.34447%0.474SS..THydrogen-bonded Turntrans-60.2-24.3-175.6-27.636.2000114.4V125 D126 M157V125-P130 HydrophobicContact CG1-CB 3.78Å; V125-P130 HydrophobicContact CG1-CG 4.4Å; D126-P130 VanDerWaalsContact O-CA 3.23Å; D126-P130 WeakPolarHBondContact O-CA 3.34Å; P130-M157 WeakPolarHBondContact O-CE 3.37Å
131L89.4Confident90.9Very high124 Ų12485.6 Ų85.665%0.64948%0.48SS*.THydrogen-bonded Turntrans-85-11.7-179.7-62.2174.2000113N129 G133 V134 M157N129-L131 PolarHBondContact O-N 3.04Å; N129-L131 PolarHBondContact OD1-N 3.45Å; L131-G133 PolarHBondContact O-N 3.31Å; L131-V134 WeakPolarHBondContact O-CB 3.07Å; L131-V134 PolarHBondContact O-N 2.89Å; L131-M157 HydrophobicContact CD2-CE 3.59Å
132H88Confident91.1Very high118 Ų11880.7 Ų80.755%0.54645%0.448SS..THydrogen-bonded Turntrans-59.2122.1-176.8-178-108.2000111.7N129 V134 R154N129-H132 HydrophobicContact CB-CB 4.03Å; N129-H132 VanDerWaalsContact O-CB 3.28Å; N129-H132 WeakPolarHBondContact O-CB 3.46Å; N129-H132 PolarHBondContact O-N 3.32Å; N129-H132 PolarHBondContact OD1-N 3.37Å; H132-V134 PolarHBondContact O-N 2.8Å; H132-R154 PolarHBondContact O-NH1 3.37Å; H132-R154 PolarHBondContact O-NH2 3.31Å
133G84.3Confident91.4Very high45 Ų4579.4 Ų79.446%0.46444%0.441SS..THydrogen-bonded Turntrans72.18.6-178.100000114.8L131 E135L131-G133 PolarHBondContact O-N 3.31Å; G133-E135 VanDerWaalsContact C-N 3.33Å; G133-E135 PolarHBondContact O-N 3.13Å; G133-E135 VanDerWaalsContact O-N 3.09Å
134V87.4Confident91.9Very high33 Ų3372.2 Ų72.220%0.241%0.409CS..  trans-82.483.6173.2-175.50000109L131 H132 M157 R158L131-V134 WeakPolarHBondContact O-CB 3.07Å; L131-V134 PolarHBondContact O-N 2.89Å; H132-V134 PolarHBondContact O-N 2.8Å; V134-M157 HydrophobicContact CG2-CE 4.08Å; V134-R158 HydrophobicContact CG1-CG 3.99Å
135E89.5Confident92.5Very high152 Ų15267.2 Ų67.271%0.7138%0.377SS*.PPolyproline II helixtrans-89.7138.7170.7-65.2178.9-177.400110.9G133 R158G133-E135 VanDerWaalsContact C-N 3.33Å; G133-E135 PolarHBondContact O-N 3.13Å; G133-E135 VanDerWaalsContact O-N 3.09Å; E135-R158 PolarHBondContact O-NE 2.67Å; E135-R158 PolarHBondContact O-NH2 3.18Å
136L95.9Very high93.1Very high71 Ų7165.2 Ų65.237%0.37237%0.365SS..PPolyproline II helixtrans-100.4132.8172.9-60.6-178.6000109.5R158 A161 Y162L136-R158 HydrophobicContact CD2-CB 4.42Å; L136-R158 HydrophobicContact CD2-CG 4.21Å; L136-A161 HydrophobicContact CD1-CB 3.73Å; L136-A161 HydrophobicContact CD2-CB 3.99Å; L136-Y162 WeakPolarHBondContact CA-OH 3.33Å; L136-Y162 HydrophobicContact CB-CE1 3.82Å; L136-Y162 HydrophobicContact CD2-CD1 4.39Å; L136-Y162 HydrophobicContact CD2-CE1 3.86Å; L136-Y162 HydrophobicContact CD2-CE2 4.3Å; L136-Y162 HydrophobicContact CG-CE1 4.31Å
137R96.3Very high93.6Very high124 Ų12462.8 Ų62.847%0.46835%0.351SS..PPolyproline II helixtrans-73.5143172.5-66.6-170.3-179-171.80.1110.1E96 F117 V140 Y162E96-R137 IonicContact OE1-NH1 3.13Å; E96-R137 PolarHBondContact OE1-NH1 3.23Å; E96-R137 IonicContact OE2-NH1 3.05Å; F117-R137 HydrophobicContact CE2-CG 4.22Å; F117-R137 HydrophobicContact CZ-CB 4.19Å; F117-R137 HydrophobicContact CZ-CG 4.18Å; R137-V140 HydrophobicContact CB-CG2 4.17Å; R137-Y162 PolarHBondContact N-OH 2.92Å
138P94.7Very high94.1Very high111 Ų11157.6 Ų57.672%0.72131%0.314SS*.THydrogen-bonded Turntrans-68.6161.4169.231.7-34.9000110.4V140P138-V140 PolarHBondContact O-N 2.85Å
139N95.4Very high94.3Very high83 Ų8356.2 Ų56.244%0.44431%0.305SS..THydrogen-bonded Turntrans62.230.7170.5-153.828.2000116.6G95 E96 K141G95-N139 WeakPolarHBondContact CA-ND2 3.34Å; G95-N139 VanDerWaalsContact CA-O 3.27Å; G95-N139 WeakPolarHBondContact CA-O 3.06Å; G95-N139 PolarHBondContact N-ND2 2.86Å; E96-N139 PolarHBondContact N-O 3.4Å; N139-K141 WeakPolarHBondContact OD1-CE 3.44Å; N139-K141 PolarHBondContact OD1-NZ 3.45Å
140V98.3Very high94.7Very high18 Ų1856.4 Ų56.411%0.10930%0.303CS..EExtended strand (participates in β ladder)trans-80.4117.2169.6-178.30000109.5E96 F117 R137 P138 Y162 A167E96-V140 WeakPolarHBondContact O-CA 3.23Å; F117-V140 HydrophobicContact CE1-CG2 3.79Å; F117-V140 HydrophobicContact CZ-CG2 3.76Å; R137-V140 HydrophobicContact CB-CG2 4.17Å; P138-V140 PolarHBondContact O-N 2.85Å; V140-Y162 HydrophobicContact CB-CD1 3.67Å; V140-Y162 HydrophobicContact CB-CE1 3.92Å; V140-Y162 HydrophobicContact CB-CG 4.09Å; V140-Y162 HydrophobicContact CG1-CD1 3.93Å; V140-Y162 HydrophobicContact CG1-CD2 4.11Å; V140-Y162 HydrophobicContact CG1-CE1 4.39Å; V140-Y162 HydrophobicContact CG1-CG 3.8Å; V140-Y162 HydrophobicContact CG2-CD1 3.75Å; V140-Y162 HydrophobicContact CG2-CE1 3.43Å; V140-Y162 VanDerWaalsContact CG2-CE1 3.43Å; V140-Y162 HydrophobicContact CG2-CE2 4.35Å; V140-Y162 HydrophobicContact CG2-CG 4.35Å; V140-A167 HydrophobicContact CG1-CB 4.44Å
141K98.5Very high95.2Very high72 Ų7257.1 Ų57.131%0.31330%0.301SS..EExtended strand (participates in β ladder)trans-95.3-23.3-176.4-57.2-57.7-168.1-178.80113.4I92 D94 E96 N139 A167 C168I92-K141 HydrophobicContact CD1-CB 4.28Å; I92-K141 HydrophobicContact CG1-CB 4.4Å; I92-K141 HydrophobicContact CG2-CB 4.34Å; I92-K141 HydrophobicContact CG2-CG 4.27Å; D94-K141 WeakPolarHBondContact O-CE 3.42Å; D94-K141 WeakPolarHBondContact O-CG 3.38Å; D94-K141 IonicContact OD1-NZ 2.87Å; D94-K141 VanDerWaalsContact OD2-CE 3.27Å; D94-K141 WeakPolarHBondContact OD2-CE 3.29Å; D94-K141 IonicContact OD2-NZ 3.83Å; D94-K141 PolarHBondContact OD2-NZ 2.87Å; E96-K141 PolarHBondContact O-N 3.06Å; N139-K141 WeakPolarHBondContact OD1-CE 3.44Å; N139-K141 PolarHBondContact OD1-NZ 3.45Å; K141-A167 CarbonylContact O-C 3.56Å; K141-A167 WeakPolarHBondContact O-CA 3.41Å; K141-C168 PolarHBondContact O-N 3.11Å
142A98.7Very high95.4Very high0 Ų053 Ų530%028%0.279CS..EExtended strand (participates in β ladder)trans-150.2151.9-175.300000112.2L88 I92 V97 Y98 C168 Y170L88-A142 HydrophobicContact CD2-CB 4.46Å; I92-A142 HydrophobicContact CD1-CB 3.64Å; V97-A142 WeakPolarHBondContact CA-O 3.32Å; V97-A142 HydrophobicContact CG1-CB 4.3Å; V97-A142 HydrophobicContact CG2-CB 4.33Å; Y98-A142 PolarHBondContact N-O 3.28Å; A142-C168 CarbonylContact C-O 3.49Å; A142-C168 VanDerWaalsContact CA-O 3.25Å; A142-C168 WeakPolarHBondContact CA-O 3.17Å; A142-C168 HydrophobicContact CB-CB 4.48Å; A142-Y170 HydrophobicContact CB-CD2 3.84Å; A142-Y170 HydrophobicContact CB-CE2 3.72Å
143V98.9Very high95.8Very high0 Ų054.4 Ų54.40%028%0.281CS..EExtended strand (participates in β ladder)trans-113.7121.2165.9178.70000107.9Y98 V145 Y162 I163 A167 C168 Y170Y98-V143 HydrophobicContact CD1-CG1 4.14Å; Y98-V143 HydrophobicContact CD1-CG2 4.32Å; Y98-V143 CarbonylContact O-C 3.53Å; Y98-V143 WeakPolarHBondContact O-CA 3.35Å; V143-V145 HydrophobicContact CG1-CG2 4.01Å; V143-Y162 HydrophobicContact CG2-CD2 4.45Å; V143-I163 HydrophobicContact CB-CD1 4.16Å; V143-I163 HydrophobicContact CB-CG1 3.92Å; V143-I163 HydrophobicContact CG1-CD1 4.25Å; V143-I163 HydrophobicContact CG2-CD1 4.38Å; V143-I163 HydrophobicContact CG2-CG1 3.78Å; V143-A167 HydrophobicContact CG2-CB 4.3Å; V143-C168 PolarHBondContact N-O 3.34Å; V143-Y170 PolarHBondContact O-N 3.06Å
144L98.9Very high96.3Very high0 Ų053 Ų530%026%0.262CS..EExtended strand (participates in β ladder)trans-109.4116.9176.1176.759.4000109.8A84 L88 V97 Y98 V99 V100 I105 L109 T172 F206A84-L144 HydrophobicContact CB-CD1 4.21Å; A84-L144 HydrophobicContact CB-CD2 3.88Å; L88-L144 HydrophobicContact CD1-CD2 3.91Å; V97-L144 HydrophobicContact CG1-CB 3.73Å; Y98-L144 PolarHBondContact O-N 2.94Å; V99-L144 WeakPolarHBondContact CA-O 3.33Å; V100-L144 PolarHBondContact N-O 3.35Å; I105-L144 HydrophobicContact CG2-CD2 3.62Å; L109-L144 HydrophobicContact CD1-CD2 4.47Å; L144-T172 HydrophobicContact CD1-CG2 4Å; L144-T172 HydrophobicContact CG-CG2 4.42Å; L144-F206 HydrophobicContact CD1-CD2 4.15Å; L144-F206 HydrophobicContact CD1-CE2 3.74Å
145V98.9Very high96.7Very high0 Ų051.5 Ų51.50%025%0.252CS..EExtended strand (participates in β ladder)trans-105.2122.5180-175.70000110.6V100 V143 F169 Y170 A171 T172 I191 V192 F195V100-V145 HydrophobicContact CB-CG2 4.47Å; V143-V145 HydrophobicContact CG1-CG2 4.01Å; V145-F169 HydrophobicContact CB-CE2 4.33Å; V145-F169 HydrophobicContact CG2-CD2 4.45Å; V145-F169 HydrophobicContact CG2-CE2 3.71Å; V145-Y170 PolarHBondContact N-O 2.71Å; V145-A171 CarbonylContact O-C 3.5Å; V145-A171 VanDerWaalsContact O-CA 3.29Å; V145-A171 WeakPolarHBondContact O-CA 3.27Å; V145-T172 PolarHBondContact O-N 3.32Å; V145-T172 PolarHBondContact O-OG1 2.86Å; V145-I191 HydrophobicContact CG1-CB 4.3Å; V145-I191 HydrophobicContact CG1-CG2 3.61Å; V145-V192 HydrophobicContact CB-CG2 4.15Å; V145-V192 HydrophobicContact CG1-CG2 3.73Å; V145-F195 HydrophobicContact CG1-CD2 4.09Å; V145-F195 HydrophobicContact CG1-CE2 4.31Å; V145-F195 HydrophobicContact CG2-CD2 3.77Å; V145-F195 HydrophobicContact CG2-CE2 3.99Å; V145-F195 HydrophobicContact CG2-CG 4.07Å; V145-F195 HydrophobicContact CG2-CZ 4.49Å
146G98.6Very high97.1Very high0 Ų045.3 Ų45.30%022%0.224CC..  trans-127-172.1167.700000111.6V100 D148 T172 T188V100-G146 PolarHBondContact O-N 2.9Å; G146-D148 PolarHBondContact O-N 3.48Å; G146-T172 WeakPolarHBondContact CA-OG1 3.15Å; G146-T188 VanDerWaalsContact C-CG2 3.47Å
147F98.1Very high97.1Very high20 Ų2043.6 Ų43.69%0.08821%0.214CC..  trans-63.8133169.3-178.1-89000109.2R55 G101 E102 L178 F185 T188R55-F147 HydrophobicContact CG-CB 4.27Å; R55-F147 HydrophobicContact CG-CD1 3.86Å; R55-F147 HydrophobicContact CG-CG 4.41Å; G101-F147 CarbonylContact C-O 3.51Å; G101-F147 WeakPolarHBondContact CA-O 3.2Å; E102-F147 HydrophobicContact CG-CD1 4.2Å; E102-F147 WeakPolarHBondContact CG-O 3.49Å; E102-F147 PolarHBondContact N-O 2.87Å; F147-L178 HydrophobicContact CD2-CD1 3.62Å; F147-L178 HydrophobicContact CE2-CD1 3.58Å; F147-L178 HydrophobicContact CG-CD1 4.25Å; F147-L178 HydrophobicContact CZ-CD1 4.2Å; F147-F185 HydrophobicContact CE1-CZ 4.44Å; F147-F185 HydrophobicContact CE2-CD2 4.47Å; F147-F185 AromaticContact CE2-CE2 3.56Å; F147-F185 HydrophobicContact CE2-CE2 3.56Å; F147-F185 AromaticContact CE2-CZ 3.96Å; F147-F185 HydrophobicContact CE2-CZ 3.96Å; F147-F185 AromaticContact CZ-CE2 3.49Å; F147-F185 HydrophobicContact CZ-CE2 3.49Å; F147-F185 VanDerWaalsContact CZ-CE2 3.49Å; F147-F185 AromaticContact CZ-CZ 3.55Å; F147-F185 HydrophobicContact CZ-CZ 3.55Å; F147-T188 PolarHBondContact N-OG1 3.14Å
148D98Very high97.2Very high5 Ų540 Ų403%0.02720%0.201CC..  trans-143.3110.1-177.2-171.9-20.6000109V100 G101 G146 H150 F151 K155 I191V100-D148 HydrophobicContact CG1-CB 3.92Å; V100-D148 WeakPolarHBondContact CG1-OD2 3.35Å; G101-D148 PolarHBondContact N-OD2 3.41Å; G146-D148 PolarHBondContact O-N 3.48Å; D148-H150 PolarHBondContact O-N 3.14Å; D148-H150 VanDerWaalsContact OD1-CA 3.3Å; D148-H150 WeakPolarHBondContact OD1-CA 3.26Å; D148-H150 VanDerWaalsContact OD1-CB 3.31Å; D148-H150 WeakPolarHBondContact OD1-CB 3.32Å; D148-H150 PolarHBondContact OD1-N 3.44Å; D148-F151 HydrophobicContact CB-CB 4.25Å; D148-F151 WeakPolarHBondContact O-CB 3.3Å; D148-F151 PolarHBondContact O-N 3.37Å; D148-F151 VanDerWaalsContact O-N 3.12Å; D148-F151 PolarHBondContact OD1-N 3.25Å; D148-K155 VanDerWaalsContact CG-NZ 3.32Å; D148-K155 IonicContact OD1-NZ 2.77Å; D148-K155 PolarHBondContact OD1-NZ 3.02Å; D148-K155 IonicContact OD2-NZ 3.89Å; D148-K155 PolarHBondContact OD2-NZ 2.77Å; D148-I191 HydrophobicContact CB-CD1 4.34Å
149S96.3Very high97.4Very high78 Ų7834.7 Ų34.755%0.54517%0.167SC..THydrogen-bonded Turntrans-67.6-14.117760.30000113.4E102E102-S149 WeakPolarHBondContact OE1-CB 3.18Å; E102-S149 PolarHBondContact OE1-N 2.79Å; E102-S149 PolarHBondContact OE1-OG 3.24Å
150H97Very high97.5Very high78 Ų7831.5 Ų31.536%0.36115%0.15SC..THydrogen-bonded Turntrans-101.213.1174.7-60.3-62.5000113.1P121 D148 N152P121-H150 HydrophobicContact CB-CB 4.48Å; D148-H150 PolarHBondContact O-N 3.14Å; D148-H150 VanDerWaalsContact OD1-CA 3.3Å; D148-H150 WeakPolarHBondContact OD1-CA 3.26Å; D148-H150 VanDerWaalsContact OD1-CB 3.31Å; D148-H150 WeakPolarHBondContact OD1-CB 3.32Å; D148-H150 PolarHBondContact OD1-N 3.44Å; H150-N152 PolarHBondContact O-N 3.29Å; H150-N152 VanDerWaalsContact O-N 3.16Å
151F97.7Very high97.5Very high68 Ų6832 Ų3230%0.29816%0.156SC..  trans-55.8122.7176.1177.2-113.3000110.7V100 D148 L156 I191 A194 F195V100-F151 HydrophobicContact CG1-CD2 4.01Å; D148-F151 HydrophobicContact CB-CB 4.25Å; D148-F151 WeakPolarHBondContact O-CB 3.3Å; D148-F151 PolarHBondContact O-N 3.37Å; D148-F151 VanDerWaalsContact O-N 3.12Å; D148-F151 PolarHBondContact OD1-N 3.25Å; F151-L156 HydrophobicContact CE2-CB 4Å; F151-L156 HydrophobicContact CZ-CB 4.13Å; F151-L156 HydrophobicContact CZ-CD1 4.5Å; F151-L156 HydrophobicContact CZ-CD2 4.44Å; F151-I191 HydrophobicContact CB-CD1 4.03Å; F151-I191 HydrophobicContact CB-CG1 4.43Å; F151-I191 HydrophobicContact CD1-CG1 4.1Å; F151-I191 HydrophobicContact CD1-CG2 4.38Å; F151-I191 HydrophobicContact CD2-CG2 3.65Å; F151-I191 HydrophobicContact CE1-CG2 4.46Å; F151-I191 HydrophobicContact CE2-CG2 3.76Å; F151-I191 HydrophobicContact CG-CD1 4.25Å; F151-I191 HydrophobicContact CG-CG1 4.14Å; F151-I191 HydrophobicContact CG-CG2 3.98Å; F151-I191 HydrophobicContact CZ-CG2 4.16Å; F151-A194 HydrophobicContact CZ-CB 4.02Å; F151-F195 HydrophobicContact CD2-CE2 4.42Å; F151-F195 AromaticContact CE2-CE2 3.72Å; F151-F195 HydrophobicContact CE2-CE2 3.72Å; F151-F195 HydrophobicContact CE2-CZ 4.32Å
152N95.2Very high97.5Very high38 Ų3828.9 Ų28.920%0.20314%0.142CC..  trans-142.3174.3177.37411.5000110.3D122 F123 H150 R154 K155 L156D122-N152 PolarHBondContact O-ND2 2.68Å; D122-N152 VanDerWaalsContact O-ND2 3.15Å; F123-N152 PolarHBondContact O-ND2 3.16Å; H150-N152 PolarHBondContact O-N 3.29Å; H150-N152 VanDerWaalsContact O-N 3.16Å; N152-R154 VanDerWaalsContact C-N 3.29Å; N152-R154 PolarHBondContact O-N 2.89Å; N152-R154 WeakPolarHBondContact OD1-CB 3.32Å; N152-R154 PolarHBondContact OD1-N 3.2Å; N152-R154 VanDerWaalsContact OD1-N 3.09Å; N152-K155 PolarHBondContact O-N 2.88Å; N152-K155 PolarHBondContact OD1-N 2.9Å; N152-L156 PolarHBondContact O-N 3.32Å; N152-L156 VanDerWaalsContact O-N 3.15Å
153Y95Very high97.5Very high146 Ų14629.3 Ų29.357%0.57314%0.144SC*.Hα-helixtrans-65-28.6-176.9-166.4-99.4000113.2V125 L156 M157V125-Y153 HydrophobicContact CG2-CD1 4.04Å; V125-Y153 HydrophobicContact CG2-CG 4.49Å; Y153-L156 HydrophobicContact CD2-CD2 4.17Å; Y153-L156 HydrophobicContact CE2-CD2 4.29Å; Y153-L156 WeakPolarHBondContact O-CB 3.4Å; Y153-L156 PolarHBondContact O-N 2.88Å; Y153-M157 HydrophobicContact CD1-CG 3.79Å; Y153-M157 HydrophobicContact CD1-SD 3.44Å; Y153-M157 WeakPolarHBondContact CD1-SD 3.29Å; Y153-M157 HydrophobicContact CE1-CG 3.65Å; Y153-M157 HydrophobicContact CE1-SD 3.48Å; Y153-M157 WeakPolarHBondContact CE1-SD 3.18Å; Y153-M157 WeakPolarHBondContact O-CG 3.5Å; Y153-M157 PolarHBondContact O-N 3.2Å
154R94.5Very high97.5Very high16 Ų1633.9 Ų33.96%0.0617%0.169CC..Hα-helixtrans-64.9-43.5173.9-73-157.8-172.4-117.7-5.8112.3D122 F123 P124 V125 H132 N152 L156 M157 R158D122-R154 HydrophobicContact CB-CB 4.38Å; F123-R154 WeakPolarHBondContact O-CD 3.41Å; F123-R154 VanDerWaalsContact O-CG 3.31Å; F123-R154 WeakPolarHBondContact O-CG 3.42Å; F123-R154 PolarHBondContact O-NE 2.91Å; F123-R154 VanDerWaalsContact O-NE 3.1Å; P124-R154 VanDerWaalsContact O-CZ 3.3Å; P124-R154 PolarHBondContact O-NE 2.86Å; P124-R154 PolarHBondContact O-NH2 3.31Å; V125-R154 HydrophobicContact CG2-CB 4.47Å; V125-R154 HydrophobicContact CG2-CG 3.5Å; H132-R154 PolarHBondContact O-NH1 3.37Å; H132-R154 PolarHBondContact O-NH2 3.31Å; N152-R154 VanDerWaalsContact C-N 3.29Å; N152-R154 PolarHBondContact O-N 2.89Å; N152-R154 WeakPolarHBondContact OD1-CB 3.32Å; N152-R154 PolarHBondContact OD1-N 3.2Å; N152-R154 VanDerWaalsContact OD1-N 3.09Å; R154-L156 VanDerWaalsContact C-N 3.29Å; R154-L156 PolarHBondContact O-N 3.26Å; R154-M157 PolarHBondContact O-N 3.4Å; R154-R158 PolarHBondContact O-N 2.72Å
155K97.3Very high97.4Very high2 Ų239.7 Ų39.71%0.00920%0.2CC..Hα-helixtrans-61.1-42.5175.8-71.1-169.7163.7-173.30111.2Y98 V100 G118 G120 D122 D148 N152 R158 G159Y98-K155 VanDerWaalsContact OH-CA 3.28Å; Y98-K155 WeakPolarHBondContact OH-CA 3.24Å; V100-K155 HydrophobicContact CG1-CD 4.49Å; V100-K155 HydrophobicContact CG2-CB 4.4Å; G118-K155 WeakPolarHBondContact O-CE 3.26Å; G118-K155 PolarHBondContact O-NZ 2.68Å; G120-K155 WeakPolarHBondContact O-CE 3.49Å; G120-K155 PolarHBondContact O-NZ 3.13Å; D122-K155 HydrophobicContact CB-CG 3.92Å; D148-K155 VanDerWaalsContact CG-NZ 3.32Å; D148-K155 IonicContact OD1-NZ 2.77Å; D148-K155 PolarHBondContact OD1-NZ 3.02Å; D148-K155 IonicContact OD2-NZ 3.89Å; D148-K155 PolarHBondContact OD2-NZ 2.77Å; N152-K155 PolarHBondContact O-N 2.88Å; N152-K155 PolarHBondContact OD1-N 2.9Å; K155-R158 PolarHBondContact O-N 3.25Å; K155-G159 PolarHBondContact O-N 3.14Å
156L97.5Very high97.3Very high22 Ų2242.7 Ų42.712%0.11523%0.231CC..Hα-helixtrans-59-48.1173.6-177.559.8000111.9F151 N152 Y153 R154 T160 A194 F195 A198F151-L156 HydrophobicContact CE2-CB 4Å; F151-L156 HydrophobicContact CZ-CB 4.13Å; F151-L156 HydrophobicContact CZ-CD1 4.5Å; F151-L156 HydrophobicContact CZ-CD2 4.44Å; N152-L156 PolarHBondContact O-N 3.32Å; N152-L156 VanDerWaalsContact O-N 3.15Å; Y153-L156 HydrophobicContact CD2-CD2 4.17Å; Y153-L156 HydrophobicContact CE2-CD2 4.29Å; Y153-L156 WeakPolarHBondContact O-CB 3.4Å; Y153-L156 PolarHBondContact O-N 2.88Å; R154-L156 VanDerWaalsContact C-N 3.29Å; R154-L156 PolarHBondContact O-N 3.26Å; L156-T160 WeakPolarHBondContact O-CB 3.28Å; L156-T160 PolarHBondContact O-N 3.21Å; L156-T160 PolarHBondContact O-OG1 2.8Å; L156-A194 HydrophobicContact CD1-CB 4.09Å; L156-A194 HydrophobicContact CD2-CB 4.2Å; L156-F195 HydrophobicContact CB-CZ 4.44Å; L156-F195 HydrophobicContact CD1-CB 4.46Å; L156-F195 HydrophobicContact CD1-CD1 3.76Å; L156-F195 HydrophobicContact CD1-CD2 3.92Å; L156-F195 HydrophobicContact CD1-CE1 3.8Å; L156-F195 HydrophobicContact CD1-CE2 4Å; L156-F195 HydrophobicContact CD1-CG 3.8Å; L156-F195 HydrophobicContact CD1-CZ 3.93Å; L156-A198 HydrophobicContact CD1-CB 4.15Å
157M96.3Very high97.3Very high34 Ų3443.1 Ų43.117%0.16723%0.234CC..Hα-helixtrans-59-50.1178.2-71.5169.268.300112P130 L131 V134 Y153 R154 A161P130-M157 WeakPolarHBondContact O-CE 3.37Å; L131-M157 HydrophobicContact CD2-CE 3.59Å; V134-M157 HydrophobicContact CG2-CE 4.08Å; Y153-M157 HydrophobicContact CD1-CG 3.79Å; Y153-M157 HydrophobicContact CD1-SD 3.44Å; Y153-M157 WeakPolarHBondContact CD1-SD 3.29Å; Y153-M157 HydrophobicContact CE1-CG 3.65Å; Y153-M157 HydrophobicContact CE1-SD 3.48Å; Y153-M157 WeakPolarHBondContact CE1-SD 3.18Å; Y153-M157 WeakPolarHBondContact O-CG 3.5Å; Y153-M157 PolarHBondContact O-N 3.2Å; R154-M157 PolarHBondContact O-N 3.4Å; M157-A161 VanDerWaalsContact O-CB 3.3Å; M157-A161 WeakPolarHBondContact O-CB 3.41Å; M157-A161 PolarHBondContact O-N 3.26Å
158R97.2Very high97.4Very high49 Ų4945.2 Ų45.219%0.18525%0.25CS..Hα-helixtrans-62.5-52.4-179.4-77.5-178.7157.7152.6-1.5111.8Y98 D122 V134 E135 L136 R154 K155 T160 A161 Y162Y98-R158 HydrophobicContact CE1-CB 4.13Å; D122-R158 VanDerWaalsContact CG-NH1 3.29Å; D122-R158 IonicContact OD1-NH1 2.98Å; D122-R158 PolarHBondContact OD1-NH1 3.37Å; D122-R158 VanDerWaalsContact OD1-NH1 3.13Å; D122-R158 IonicContact OD2-CZ 3.84Å; D122-R158 IonicContact OD2-NH1 3.21Å; D122-R158 PolarHBondContact OD2-NH1 3.11Å; V134-R158 HydrophobicContact CG1-CG 3.99Å; E135-R158 PolarHBondContact O-NE 2.67Å; E135-R158 PolarHBondContact O-NH2 3.18Å; L136-R158 HydrophobicContact CD2-CB 4.42Å; L136-R158 HydrophobicContact CD2-CG 4.21Å; R154-R158 PolarHBondContact O-N 2.72Å; K155-R158 PolarHBondContact O-N 3.25Å; R158-T160 VanDerWaalsContact C-N 3.33Å; R158-T160 PolarHBondContact O-N 3.04Å; R158-A161 PolarHBondContact O-N 2.92Å; R158-Y162 HydrophobicContact CB-CE2 4.15Å; R158-Y162 WeakPolarHBondContact O-CD2 3.28Å; R158-Y162 PolarHBondContact O-N 3.32Å
159G98.3Very high97.4Very high0 Ų045.6 Ų45.60%025%0.252CS..Hα-helixtrans-63.6-39.1-179.300000112.2K155 A161 Y162 I163K155-G159 PolarHBondContact O-N 3.14Å; G159-A161 PolarHBondContact O-N 2.95Å; G159-Y162 PolarHBondContact O-N 3.38Å; G159-I163 VanDerWaalsContact O-CG1 3.29Å; G159-I163 WeakPolarHBondContact O-CG1 3.33Å; G159-I163 PolarHBondContact O-N 3.47Å
160T98.4Very high97.5Very high15 Ų1543 Ų439%0.09223%0.23CC..Hα-helixtrans-64-42.2175.1-57.10000111.5L156 R158 Y162 I163 N164 A198L156-T160 WeakPolarHBondContact O-CB 3.28Å; L156-T160 PolarHBondContact O-N 3.21Å; L156-T160 PolarHBondContact O-OG1 2.8Å; R158-T160 VanDerWaalsContact C-N 3.33Å; R158-T160 PolarHBondContact O-N 3.04Å; T160-Y162 PolarHBondContact O-N 3.46Å; T160-I163 PolarHBondContact O-N 3.42Å; T160-N164 WeakPolarHBondContact O-CB 3.41Å; T160-N164 PolarHBondContact O-N 3.43Å; T160-A198 HydrophobicContact CG2-CB 3.8Å; T160-A198 WeakPolarHBondContact CG2-O 3.48Å; T160-A198 WeakPolarHBondContact OG1-CB 3.07Å
161A98.1Very high97.6Very high28 Ų2839.2 Ų39.223%0.23121%0.213CC..Hα-helixtrans-62.8-41.8176.200000112L136 M157 R158 G159 N164 N165L136-A161 HydrophobicContact CD1-CB 3.73Å; L136-A161 HydrophobicContact CD2-CB 3.99Å; M157-A161 VanDerWaalsContact O-CB 3.3Å; M157-A161 WeakPolarHBondContact O-CB 3.41Å; M157-A161 PolarHBondContact O-N 3.26Å; R158-A161 PolarHBondContact O-N 2.92Å; G159-A161 PolarHBondContact O-N 2.95Å; A161-N164 PolarHBondContact O-N 3.39Å; A161-N165 WeakPolarHBondContact O-CB 3.25Å; A161-N165 PolarHBondContact O-N 2.6Å; A161-N165 PolarHBondContact O-ND2 2.87Å
162Y98.7Very high97.6Very high8 Ų836 Ų363%0.03120%0.199CC..Hα-helixtrans-62.1-43.9174.3-66.5-51000112.2Y98 F117 L136 R137 V140 V143 R158 G159 T160 N164 N165 G166 A167Y98-Y162 AromaticContact CD1-CD2 3.81Å; Y98-Y162 HydrophobicContact CD1-CD2 3.81Å; Y98-Y162 HydrophobicContact CD1-CE2 4.08Å; Y98-Y162 HydrophobicContact CD2-CD2 4.5Å; Y98-Y162 HydrophobicContact CD2-CE2 4.01Å; Y98-Y162 AromaticContact CG-CD2 3.76Å; Y98-Y162 HydrophobicContact CG-CD2 3.76Å; Y98-Y162 AromaticContact CG-CE2 3.73Å; Y98-Y162 HydrophobicContact CG-CE2 3.73Å; F117-Y162 HydrophobicContact CE2-CE2 4.32Å; F117-Y162 AromaticContact CZ-CE2 3.94Å; F117-Y162 HydrophobicContact CZ-CE2 3.94Å; F117-Y162 AromaticContact CZ-CZ 3.91Å; L136-Y162 WeakPolarHBondContact CA-OH 3.33Å; L136-Y162 HydrophobicContact CB-CE1 3.82Å; L136-Y162 HydrophobicContact CD2-CD1 4.39Å; L136-Y162 HydrophobicContact CD2-CE1 3.86Å; L136-Y162 HydrophobicContact CD2-CE2 4.3Å; L136-Y162 HydrophobicContact CG-CE1 4.31Å; R137-Y162 PolarHBondContact N-OH 2.92Å; V140-Y162 HydrophobicContact CB-CD1 3.67Å; V140-Y162 HydrophobicContact CB-CE1 3.92Å; V140-Y162 HydrophobicContact CB-CG 4.09Å; V140-Y162 HydrophobicContact CG1-CD1 3.93Å; V140-Y162 HydrophobicContact CG1-CD2 4.11Å; V140-Y162 HydrophobicContact CG1-CE1 4.39Å; V140-Y162 HydrophobicContact CG1-CG 3.8Å; V140-Y162 HydrophobicContact CG2-CD1 3.75Å; V140-Y162 HydrophobicContact CG2-CE1 3.43Å; V140-Y162 VanDerWaalsContact CG2-CE1 3.43Å; V140-Y162 HydrophobicContact CG2-CE2 4.35Å; V140-Y162 HydrophobicContact CG2-CG 4.35Å; V143-Y162 HydrophobicContact CG2-CD2 4.45Å; R158-Y162 HydrophobicContact CB-CE2 4.15Å; R158-Y162 WeakPolarHBondContact O-CD2 3.28Å; R158-Y162 PolarHBondContact O-N 3.32Å; G159-Y162 PolarHBondContact O-N 3.38Å; T160-Y162 PolarHBondContact O-N 3.46Å; Y162-N164 PolarHBondContact O-N 3.39Å; Y162-N165 CarbonylContact O-C 3.54Å; Y162-N165 PolarHBondContact O-N 3.23Å; Y162-G166 PolarHBondContact O-N 2.73Å; Y162-A167 WeakPolarHBondContact O-CB 3.38Å; Y162-A167 PolarHBondContact O-N 3.25Å
163I98.7Very high97.8Very high9 Ų934.3 Ų34.35%0.04619%0.19CC..Hα-helixtrans-60.5-45.9176.7-66.8163.2000110.6V143 G159 T160 N165 G166 F169 F195 K201V143-I163 HydrophobicContact CB-CD1 4.16Å; V143-I163 HydrophobicContact CB-CG1 3.92Å; V143-I163 HydrophobicContact CG1-CD1 4.25Å; V143-I163 HydrophobicContact CG2-CD1 4.38Å; V143-I163 HydrophobicContact CG2-CG1 3.78Å; G159-I163 VanDerWaalsContact O-CG1 3.29Å; G159-I163 WeakPolarHBondContact O-CG1 3.33Å; G159-I163 PolarHBondContact O-N 3.47Å; T160-I163 PolarHBondContact O-N 3.42Å; I163-N165 PolarHBondContact O-N 2.73Å; I163-G166 PolarHBondContact O-N 2.85Å; I163-F169 HydrophobicContact CD1-CB 4.06Å; I163-F169 HydrophobicContact CD1-CD1 4.16Å; I163-F169 HydrophobicContact CD1-CD2 3.78Å; I163-F169 HydrophobicContact CD1-CE2 4.29Å; I163-F169 HydrophobicContact CD1-CG 3.74Å; I163-F169 HydrophobicContact CG1-CB 4.14Å; I163-F169 HydrophobicContact CG1-CG 4.37Å; I163-F169 HydrophobicContact CG2-CB 4.43Å; I163-F195 HydrophobicContact CD1-CD1 4.15Å; I163-K201 HydrophobicContact CG2-CB 4.1Å; I163-K201 HydrophobicContact CG2-CG 3.75Å
164N98.1Very high97.9Very high95 Ų9530.4 Ų30.451%0.50818%0.177SC..Hα-helixtrans-66.1-28.4178.3-71.1-9.7000112.7T160 A161 Y162 G166T160-N164 WeakPolarHBondContact O-CB 3.41Å; T160-N164 PolarHBondContact O-N 3.43Å; A161-N164 PolarHBondContact O-N 3.39Å; Y162-N164 PolarHBondContact O-N 3.39Å; N164-G166 PolarHBondContact O-N 2.96Å
165N97.7Very high98Very high123 Ų12331.2 Ų31.266%0.65818%0.182SC*.THydrogen-bonded Turntrans-81.87173.5-69.1-12.5000113.5A161 Y162 I163A161-N165 WeakPolarHBondContact O-CB 3.25Å; A161-N165 PolarHBondContact O-N 2.6Å; A161-N165 PolarHBondContact O-ND2 2.87Å; Y162-N165 CarbonylContact O-C 3.54Å; Y162-N165 PolarHBondContact O-N 3.23Å; I163-N165 PolarHBondContact O-N 2.73Å
166G97.6Very high97.8Very high63 Ų6334.4 Ų34.465%0.64921%0.209SC*.THydrogen-bonded Turntrans100.85.2172.800000115.5Y162 I163 N164Y162-G166 PolarHBondContact O-N 2.73Å; I163-G166 PolarHBondContact O-N 2.85Å; N164-G166 PolarHBondContact O-N 2.96Å
167A98.4Very high97.5Very high8 Ų839.2 Ų39.27%0.06623%0.231CC..PPolyproline II helixtrans-66.7136.9171.500000110.8V140 K141 V143 Y162V140-A167 HydrophobicContact CG1-CB 4.44Å; K141-A167 CarbonylContact O-C 3.56Å; K141-A167 WeakPolarHBondContact O-CA 3.41Å; V143-A167 HydrophobicContact CG2-CB 4.3Å; Y162-A167 WeakPolarHBondContact O-CB 3.38Å; Y162-A167 PolarHBondContact O-N 3.25Å
168C98.5Very high97.1Very high64 Ų6438.6 Ų38.643%0.43223%0.228SC..EExtended strand (participates in β ladder)trans-65.8138.3176.3-69.70000111.3K141 A142 V143 Y170K141-C168 PolarHBondContact O-N 3.11Å; A142-C168 CarbonylContact C-O 3.49Å; A142-C168 VanDerWaalsContact CA-O 3.25Å; A142-C168 WeakPolarHBondContact CA-O 3.17Å; A142-C168 HydrophobicContact CB-CB 4.48Å; V143-C168 PolarHBondContact N-O 3.34Å; C168-Y170 HydrophobicContact CB-CD2 4.17Å; C168-Y170 HydrophobicContact CB-CE2 3.34Å
169F98.8Very high96.6Very high14 Ų1440.6 Ų40.66%0.06125%0.248CC..EExtended strand (participates in β ladder)trans-96.8120.7179.6-176.4-160.9000111V145 I163 V192 F195 R196 K201 P203 V204V145-F169 HydrophobicContact CB-CE2 4.33Å; V145-F169 HydrophobicContact CG2-CD2 4.45Å; V145-F169 HydrophobicContact CG2-CE2 3.71Å; I163-F169 HydrophobicContact CD1-CB 4.06Å; I163-F169 HydrophobicContact CD1-CD1 4.16Å; I163-F169 HydrophobicContact CD1-CD2 3.78Å; I163-F169 HydrophobicContact CD1-CE2 4.29Å; I163-F169 HydrophobicContact CD1-CG 3.74Å; I163-F169 HydrophobicContact CG1-CB 4.14Å; I163-F169 HydrophobicContact CG1-CG 4.37Å; I163-F169 HydrophobicContact CG2-CB 4.43Å; F169-V192 HydrophobicContact CZ-CG1 4.21Å; F169-F195 HydrophobicContact CE1-CB 4.24Å; F169-F195 HydrophobicContact CE2-CB 4.03Å; F169-F195 HydrophobicContact CZ-CB 3.54Å; F169-R196 HydrophobicContact CE1-CG 3.82Å; F169-R196 HydrophobicContact CZ-CG 4.25Å; F169-K201 HydrophobicContact CD1-CB 4.24Å; F169-K201 WeakPolarHBondContact CE1-O 3.49Å; F169-P203 HydrophobicContact CD1-CB 3.8Å; F169-P203 HydrophobicContact CD1-CG 4.39Å; F169-P203 HydrophobicContact CD2-CB 3.9Å; F169-P203 HydrophobicContact CE1-CB 3.8Å; F169-P203 HydrophobicContact CE1-CG 3.98Å; F169-P203 HydrophobicContact CE2-CB 3.86Å; F169-P203 HydrophobicContact CG-CB 3.85Å; F169-P203 HydrophobicContact CZ-CB 3.81Å; F169-P203 HydrophobicContact CZ-CG 4.03Å; F169-P203 VanDerWaalsContact O-CA 3.29Å; F169-P203 WeakPolarHBondContact O-CA 3.34Å; F169-V204 PolarHBondContact O-N 2.83Å
170Y98.8Very high95.9Very high22 Ų2242 Ų429%0.08626%0.263CS..EExtended strand (participates in β ladder)trans-125.8149.8178.3-60.5-75.3000111.5F87 L88 A142 V143 V145 C168 V204 F206F87-Y170 HydrophobicContact CD1-CE1 4.28Å; F87-Y170 HydrophobicContact CE1-CD1 4.31Å; F87-Y170 AromaticContact CE1-CE1 3.52Å; F87-Y170 HydrophobicContact CE1-CE1 3.52Å; F87-Y170 AromaticContact CE1-CZ 3.91Å; F87-Y170 HydrophobicContact CZ-CE1 4.27Å; L88-Y170 HydrophobicContact CD2-CD2 3.78Å; L88-Y170 HydrophobicContact CD2-CE2 3.62Å; L88-Y170 HydrophobicContact CD2-CG 4.4Å; A142-Y170 HydrophobicContact CB-CD2 3.84Å; A142-Y170 HydrophobicContact CB-CE2 3.72Å; V143-Y170 PolarHBondContact O-N 3.06Å; V145-Y170 PolarHBondContact N-O 2.71Å; C168-Y170 HydrophobicContact CB-CD2 4.17Å; C168-Y170 HydrophobicContact CB-CE2 3.34Å; Y170-V204 WeakPolarHBondContact CA-O 3.36Å; Y170-V204 HydrophobicContact CD1-CB 3.7Å; Y170-V204 HydrophobicContact CD1-CG1 4.24Å; Y170-V204 HydrophobicContact CE1-CB 3.92Å; Y170-V204 HydrophobicContact CE1-CG1 4.37Å; Y170-V204 HydrophobicContact CE1-CG2 4.32Å; Y170-F206 HydrophobicContact CD1-CE1 4.22Å; Y170-F206 HydrophobicContact CD1-CE2 4.17Å; Y170-F206 AromaticContact CD1-CZ 3.52Å; Y170-F206 HydrophobicContact CD1-CZ 3.52Å; Y170-F206 HydrophobicContact CE1-CZ 4.28Å; Y170-F206 HydrophobicContact CG-CE2 4.18Å; Y170-F206 AromaticContact CG-CZ 3.91Å; Y170-F206 HydrophobicContact CG-CZ 3.91Å
171A98.8Very high95Very high0 Ų045.1 Ų45.10%030%0.297CS..EExtended strand (participates in β ladder)trans-132.3138.3175.100000111.3V145 V192 P203 V204 V205 F206V145-A171 CarbonylContact O-C 3.5Å; V145-A171 VanDerWaalsContact O-CA 3.29Å; V145-A171 WeakPolarHBondContact O-CA 3.27Å; A171-V192 HydrophobicContact CB-CG1 4.18Å; A171-V192 HydrophobicContact CB-CG2 3.72Å; A171-P203 HydrophobicContact CB-CB 3.82Å; A171-P203 HydrophobicContact CB-CG 3.99Å; A171-V204 PolarHBondContact N-O 2.99Å; A171-V205 HydrophobicContact CB-CG2 4.32Å; A171-V205 CarbonylContact O-C 3.58Å; A171-V205 WeakPolarHBondContact O-CA 3.26Å; A171-F206 VanDerWaalsContact O-CD2 3.31Å; A171-F206 WeakPolarHBondContact O-CD2 3.37Å; A171-F206 PolarHBondContact O-N 3.19Å
172T98.6Very high94.5Very high0 Ų052 Ų520%033%0.33CS..SBendtrans-68.3-40.8176.656.10000111.9S54 T80 I105 L144 V145 G146 G207S54-T172 PolarHBondContact OG-OG1 3.17Å; T80-T172 WeakPolarHBondContact CB-O 3.48Å; T80-T172 WeakPolarHBondContact CG2-O 3.42Å; I105-T172 HydrophobicContact CD1-CG2 3.91Å; I105-T172 HydrophobicContact CG1-CG2 4.36Å; L144-T172 HydrophobicContact CD1-CG2 4Å; L144-T172 HydrophobicContact CG-CG2 4.42Å; V145-T172 PolarHBondContact O-N 3.32Å; V145-T172 PolarHBondContact O-OG1 2.86Å; G146-T172 WeakPolarHBondContact CA-OG1 3.15Å; T172-G207 WeakPolarHBondContact O-CA 3.21Å; T172-G207 PolarHBondContact O-N 3.47Å
173N98.3Very high94.1Very high2 Ų257.8 Ų57.81%0.01136%0.36CS..  trans-162.1173.5172.470.175.5000109.6N52 D175 T188N52-N173 HydrophobicContact CB-CB 3.76Å; N52-N173 PolarHBondContact O-ND2 3.25Å; N173-D175 WeakPolarHBondContact OD1-CB 3.4Å; N173-D175 VanDerWaalsContact OD1-CG 3.27Å; N173-D175 PolarHBondContact OD1-N 3.15Å; N173-D175 PolarHBondContact OD1-OD2 3.15Å; N173-T188 PolarHBondContact ND2-OG1 3.07Å; N173-T188 WeakPolarHBondContact O-CG2 3.33Å; N173-T188 WeakPolarHBondContact OD1-CB 3.34Å; N173-T188 PolarHBondContact OD1-OG1 3.41Å
174E97.4Very high93.7Very high64 Ų6462.2 Ų62.230%0.29939%0.387SS..  trans-120.627175.6-67.1-172.3110.300112.3A176 V192 R196 V205E174-A176 PolarHBondContact O-N 2.9Å; E174-V192 HydrophobicContact CG-CG1 4.21Å; E174-R196 IonicContact OE1-NH1 2.64Å; E174-R196 PolarHBondContact OE1-NH1 2.88Å; E174-R196 VanDerWaalsContact OE1-NH1 3.09Å; E174-V205 HydrophobicContact CG-CG1 4.16Å; E174-V205 HydrophobicContact CG-CG2 3.87Å
175D95.8Very high93.4Very high33 Ų3361 Ų6118%0.17638%0.377CS..  trans-59125.4-178.2-61.3-17.9000109.8N52 N173 G187 T188 G189N52-D175 WeakPolarHBondContact CB-OD2 3.39Å; N52-D175 PolarHBondContact ND2-OD1 3.04Å; N173-D175 WeakPolarHBondContact OD1-CB 3.4Å; N173-D175 VanDerWaalsContact OD1-CG 3.27Å; N173-D175 PolarHBondContact OD1-N 3.15Å; N173-D175 PolarHBondContact OD1-OD2 3.15Å; D175-G187 CarbonylContact O-C 3.48Å; D175-G187 VanDerWaalsContact O-C 3.26Å; D175-G187 VanDerWaalsContact O-CA 3.29Å; D175-G187 WeakPolarHBondContact O-CA 3.07Å; D175-T188 PolarHBondContact O-N 2.71Å; D175-G189 PolarHBondContact O-N 3.34Å
176A93Very high93.3Very high70 Ų7058.3 Ų58.358%0.57937%0.367SS*.SBendtrans-68.5-38.4-175.200000112.3E174 G187E174-A176 PolarHBondContact O-N 2.9Å; A176-G187 PolarHBondContact O-N 3.15Å
177Q91.5Very high93.2Very high122 Ų12255.4 Ų55.457%0.5734%0.337SS*.EExtended strand (participates in β ladder)trans-140152.2-176.7-61.6-175.124.300111.2F185Q177-F185 CarbonylContact C-O 3.6Å; Q177-F185 VanDerWaalsContact CA-O 3.24Å; Q177-F185 WeakPolarHBondContact CA-O 3.49Å
178L89.3Confident93.2Very high22 Ų2255 Ų5512%0.11533%0.334CS..EExtended strand (participates in β ladder)trans-103.4160.7169.9-62.3174.6000110.1F147 G180 F185F147-L178 HydrophobicContact CD2-CD1 3.62Å; F147-L178 HydrophobicContact CE2-CD1 3.58Å; F147-L178 HydrophobicContact CG-CD1 4.25Å; F147-L178 HydrophobicContact CZ-CD1 4.2Å; L178-G180 PolarHBondContact O-N 3.18Å; L178-G180 VanDerWaalsContact O-N 3.12Å; L178-F185 HydrophobicContact CB-CB 4.21Å; L178-F185 HydrophobicContact CB-CD1 3.78Å; L178-F185 HydrophobicContact CB-CD2 4.48Å; L178-F185 HydrophobicContact CB-CE1 4.29Å; L178-F185 HydrophobicContact CB-CG 3.9Å; L178-F185 HydrophobicContact CD1-CD1 4.21Å; L178-F185 HydrophobicContact CD1-CD2 4.22Å; L178-F185 HydrophobicContact CD1-CE1 3.95Å; L178-F185 HydrophobicContact CD1-CE2 3.97Å; L178-F185 HydrophobicContact CD1-CG 4.35Å; L178-F185 HydrophobicContact CD1-CZ 3.83Å; L178-F185 PolarHBondContact N-O 2.99Å
179P85.2Confident93.1Very high91 Ų9152.3 Ų52.359%0.59132%0.317SS*.  trans-58.4117.7170.3-23.934.2000111.4
180G83.4Confident93.1Very high30 Ų3054.4 Ų54.431%0.30933%0.333SS..  trans-132.78.1-176.700000115L178 N182 I183L178-G180 PolarHBondContact O-N 3.18Å; L178-G180 VanDerWaalsContact O-N 3.12Å; G180-N182 PolarHBondContact O-N 2.82Å; G180-I183 CarbonylContact C-O 3.49Å; G180-I183 WeakPolarHBondContact CA-O 3.41Å; G180-I183 PolarHBondContact O-N 2.76Å
181G81.2Confident93.1Very high79 Ų7954 Ų5481%0.81433%0.332SS*.THydrogen-bonded Turntrans61-116.8-173.700000110.8I183G181-I183 VanDerWaalsContact C-N 3.33Å
182N87.2Confident93.1Very high174 Ų17454 Ų5493%0.9333%0.332SS*.THydrogen-bonded Turntrans-84.5-7178.3-64-11.6000113.5G180G180-N182 PolarHBondContact O-N 2.82Å
183I90.4Very high93.1Very high129 Ų12956.6 Ų56.666%0.66235%0.35SS*.SBendtrans-98.9129.3179.3-58-60.3000108.7G180 G181 F185G180-I183 CarbonylContact C-O 3.49Å; G180-I183 WeakPolarHBondContact CA-O 3.41Å; G180-I183 PolarHBondContact O-N 2.76Å; G181-I183 VanDerWaalsContact C-N 3.33Å; I183-F185 PolarHBondContact O-N 2.91Å; I183-F185 VanDerWaalsContact O-N 3.1Å
184V89.4Confident93.1Very high102 Ų10258 Ų5862%0.61836%0.362SS*.  trans-64.5113166.3177.80000107.2P186V184-P186 WeakPolarHBondContact O-CD 3.35Å
185F91.8Very high93.2Very high68 Ų6854.9 Ų54.930%0.29835%0.347SS..EExtended strand (participates in β ladder)trans-106.3101.6177.4-168.5175.1000108.8F147 Q177 L178 I183 G187F147-F185 HydrophobicContact CE1-CZ 4.44Å; F147-F185 HydrophobicContact CE2-CD2 4.47Å; F147-F185 AromaticContact CE2-CE2 3.56Å; F147-F185 HydrophobicContact CE2-CE2 3.56Å; F147-F185 AromaticContact CE2-CZ 3.96Å; F147-F185 HydrophobicContact CE2-CZ 3.96Å; F147-F185 AromaticContact CZ-CE2 3.49Å; F147-F185 HydrophobicContact CZ-CE2 3.49Å; F147-F185 VanDerWaalsContact CZ-CE2 3.49Å; F147-F185 AromaticContact CZ-CZ 3.55Å; F147-F185 HydrophobicContact CZ-CZ 3.55Å; Q177-F185 CarbonylContact C-O 3.6Å; Q177-F185 VanDerWaalsContact CA-O 3.24Å; Q177-F185 WeakPolarHBondContact CA-O 3.49Å; L178-F185 HydrophobicContact CB-CB 4.21Å; L178-F185 HydrophobicContact CB-CD1 3.78Å; L178-F185 HydrophobicContact CB-CD2 4.48Å; L178-F185 HydrophobicContact CB-CE1 4.29Å; L178-F185 HydrophobicContact CB-CG 3.9Å; L178-F185 HydrophobicContact CD1-CD1 4.21Å; L178-F185 HydrophobicContact CD1-CD2 4.22Å; L178-F185 HydrophobicContact CD1-CE1 3.95Å; L178-F185 HydrophobicContact CD1-CE2 3.97Å; L178-F185 HydrophobicContact CD1-CG 4.35Å; L178-F185 HydrophobicContact CD1-CZ 3.83Å; L178-F185 PolarHBondContact N-O 2.99Å; I183-F185 PolarHBondContact O-N 2.91Å; I183-F185 VanDerWaalsContact O-N 3.1Å; F185-G187 PolarHBondContact O-N 2.84Å
186P95.9Very high93.3Very high68 Ų6857.1 Ų57.144%0.44235%0.353SS..EExtended strand (participates in β ladder)trans-57132.2177.4-25.235.3000111.8V184V184-P186 WeakPolarHBondContact O-CD 3.35Å
187G95.4Very high93.6Very high1 Ų159.8 Ų59.81%0.0136%0.362CS..  trans-89.3-176.8177.100000113.3D175 A176 F185 G189 S190D175-G187 CarbonylContact O-C 3.48Å; D175-G187 VanDerWaalsContact O-C 3.26Å; D175-G187 VanDerWaalsContact O-CA 3.29Å; D175-G187 WeakPolarHBondContact O-CA 3.07Å; A176-G187 PolarHBondContact O-N 3.15Å; F185-G187 PolarHBondContact O-N 2.84Å; G187-G189 PolarHBondContact O-N 3.39Å; G187-G189 VanDerWaalsContact O-N 3.15Å; G187-S190 WeakPolarHBondContact O-CB 3.47Å; G187-S190 PolarHBondContact O-N 3.42Å
188T97.9Very high93.9Very high1 Ų156.3 Ų56.31%0.00635%0.354CS..Hα-helixtrans-53.4-35.4-180-51.80000112.4G146 F147 N173 D175 S190 I191 V192G146-T188 VanDerWaalsContact C-CG2 3.47Å; F147-T188 PolarHBondContact N-OG1 3.14Å; N173-T188 PolarHBondContact ND2-OG1 3.07Å; N173-T188 WeakPolarHBondContact O-CG2 3.33Å; N173-T188 WeakPolarHBondContact OD1-CB 3.34Å; N173-T188 PolarHBondContact OD1-OG1 3.41Å; D175-T188 PolarHBondContact O-N 2.71Å; T188-S190 PolarHBondContact O-N 3.46Å; T188-S190 VanDerWaalsContact O-N 3.15Å; T188-I191 PolarHBondContact O-N 3.39Å; T188-V192 HydrophobicContact CG2-CG2 3.86Å; T188-V192 WeakPolarHBondContact O-CG2 3.38Å; T188-V192 PolarHBondContact O-N 3.27Å
189G97.9Very high94.3Very high7 Ų755.8 Ų55.87%0.07235%0.353CS..Hα-helixtrans-57.2-29.9179.400000113.5D175 G187 S193D175-G189 PolarHBondContact O-N 3.34Å; G187-G189 PolarHBondContact O-N 3.39Å; G187-G189 VanDerWaalsContact O-N 3.15Å; G189-S193 VanDerWaalsContact O-CB 3.28Å; G189-S193 WeakPolarHBondContact O-CB 3.27Å; G189-S193 PolarHBondContact O-N 2.99Å; G189-S193 PolarHBondContact O-OG 3Å
190S97.8Very high95Very high58 Ų5854.6 Ų54.641%0.40636%0.356SS..Hα-helixtrans-68.5-40175.5-61.50000112G187 T188 A194G187-S190 WeakPolarHBondContact O-CB 3.47Å; G187-S190 PolarHBondContact O-N 3.42Å; T188-S190 PolarHBondContact O-N 3.46Å; T188-S190 VanDerWaalsContact O-N 3.15Å; S190-A194 PolarHBondContact O-N 2.87Å
191I98.6Very high95.7Very high14 Ų1458.8 Ų58.87%0.07237%0.366CS..Hα-helixtrans-70.7-46.4176.7-58.2174.8000109.8V100 V145 D148 F151 T188 S193 A194 F195V100-I191 HydrophobicContact CG1-CG2 4.19Å; V145-I191 HydrophobicContact CG1-CB 4.3Å; V145-I191 HydrophobicContact CG1-CG2 3.61Å; D148-I191 HydrophobicContact CB-CD1 4.34Å; F151-I191 HydrophobicContact CB-CD1 4.03Å; F151-I191 HydrophobicContact CB-CG1 4.43Å; F151-I191 HydrophobicContact CD1-CG1 4.1Å; F151-I191 HydrophobicContact CD1-CG2 4.38Å; F151-I191 HydrophobicContact CD2-CG2 3.65Å; F151-I191 HydrophobicContact CE1-CG2 4.46Å; F151-I191 HydrophobicContact CE2-CG2 3.76Å; F151-I191 HydrophobicContact CG-CD1 4.25Å; F151-I191 HydrophobicContact CG-CG1 4.14Å; F151-I191 HydrophobicContact CG-CG2 3.98Å; F151-I191 HydrophobicContact CZ-CG2 4.16Å; T188-I191 PolarHBondContact O-N 3.39Å; I191-S193 VanDerWaalsContact C-N 3.27Å; I191-S193 PolarHBondContact O-N 3.12Å; I191-A194 WeakPolarHBondContact O-CB 3.41Å; I191-A194 PolarHBondContact O-N 3.16Å; I191-A194 VanDerWaalsContact O-N 3.09Å; I191-F195 HydrophobicContact CG2-CD2 4.2Å; I191-F195 HydrophobicContact CG2-CE2 4.04Å; I191-F195 WeakPolarHBondContact O-CD2 3.5Å; I191-F195 PolarHBondContact O-N 3.23Å
192V98.7Very high96.5Very high0 Ų060.8 Ų60.80%035%0.354CS..Hα-helixtrans-57.8-41.7177.3173.20000111V145 F169 A171 E174 T188 A194 F195 R196 P203V145-V192 HydrophobicContact CB-CG2 4.15Å; V145-V192 HydrophobicContact CG1-CG2 3.73Å; F169-V192 HydrophobicContact CZ-CG1 4.21Å; A171-V192 HydrophobicContact CB-CG1 4.18Å; A171-V192 HydrophobicContact CB-CG2 3.72Å; E174-V192 HydrophobicContact CG-CG1 4.21Å; T188-V192 HydrophobicContact CG2-CG2 3.86Å; T188-V192 WeakPolarHBondContact O-CG2 3.38Å; T188-V192 PolarHBondContact O-N 3.27Å; V192-A194 VanDerWaalsContact C-N 3.31Å; V192-A194 PolarHBondContact O-N 3.37Å; V192-F195 PolarHBondContact O-N 3.43Å; V192-F195 VanDerWaalsContact O-N 3.15Å; V192-R196 HydrophobicContact CG1-CG 4.2Å; V192-R196 WeakPolarHBondContact O-CG 3.16Å; V192-R196 PolarHBondContact O-N 2.75Å; V192-P203 HydrophobicContact CG1-CG 3.81Å
193S98.6Very high97Very high54 Ų5453.2 Ų53.238%0.37832%0.315SS..Hα-helixtrans-60.1-39.2176.4-63.50000112.6G189 I191 F195 R196 V197G189-S193 VanDerWaalsContact O-CB 3.28Å; G189-S193 WeakPolarHBondContact O-CB 3.27Å; G189-S193 PolarHBondContact O-N 2.99Å; G189-S193 PolarHBondContact O-OG 3Å; I191-S193 VanDerWaalsContact C-N 3.27Å; I191-S193 PolarHBondContact O-N 3.12Å; S193-F195 VanDerWaalsContact C-N 3.34Å; S193-F195 PolarHBondContact O-N 3.24Å; S193-R196 PolarHBondContact O-N 3.44Å; S193-V197 WeakPolarHBondContact O-CG2 3.3Å; S193-V197 PolarHBondContact O-N 3.01Å
194A98.7Very high97.4Very high30 Ų3050.5 Ų50.525%0.24830%0.304CS..Hα-helixtrans-61.1-43.5175.400000111.6F151 L156 S190 I191 V192 A198F151-A194 HydrophobicContact CZ-CB 4.02Å; L156-A194 HydrophobicContact CD1-CB 4.09Å; L156-A194 HydrophobicContact CD2-CB 4.2Å; S190-A194 PolarHBondContact O-N 2.87Å; I191-A194 WeakPolarHBondContact O-CB 3.41Å; I191-A194 PolarHBondContact O-N 3.16Å; I191-A194 VanDerWaalsContact O-N 3.09Å; V192-A194 VanDerWaalsContact C-N 3.31Å; V192-A194 PolarHBondContact O-N 3.37Å; A194-A198 VanDerWaalsContact O-CB 3.26Å; A194-A198 WeakPolarHBondContact O-CB 3.47Å; A194-A198 PolarHBondContact O-N 3.12Å
195F98.8Very high97.8Very high0 Ų046 Ų460%028%0.277CS..Hα-helixtrans-67.1-40.8175.2-80.5-81.6000113V100 V145 F151 L156 I163 F169 I191 V192 S193 A198 S199V100-F195 HydrophobicContact CB-CE2 4.46Å; V100-F195 HydrophobicContact CG1-CE2 4.23Å; V100-F195 HydrophobicContact CG2-CE2 4.14Å; V100-F195 HydrophobicContact CG2-CZ 3.76Å; V145-F195 HydrophobicContact CG1-CD2 4.09Å; V145-F195 HydrophobicContact CG1-CE2 4.31Å; V145-F195 HydrophobicContact CG2-CD2 3.77Å; V145-F195 HydrophobicContact CG2-CE2 3.99Å; V145-F195 HydrophobicContact CG2-CG 4.07Å; V145-F195 HydrophobicContact CG2-CZ 4.49Å; F151-F195 HydrophobicContact CD2-CE2 4.42Å; F151-F195 AromaticContact CE2-CE2 3.72Å; F151-F195 HydrophobicContact CE2-CE2 3.72Å; F151-F195 HydrophobicContact CE2-CZ 4.32Å; L156-F195 HydrophobicContact CB-CZ 4.44Å; L156-F195 HydrophobicContact CD1-CB 4.46Å; L156-F195 HydrophobicContact CD1-CD1 3.76Å; L156-F195 HydrophobicContact CD1-CD2 3.92Å; L156-F195 HydrophobicContact CD1-CE1 3.8Å; L156-F195 HydrophobicContact CD1-CE2 4Å; L156-F195 HydrophobicContact CD1-CG 3.8Å; L156-F195 HydrophobicContact CD1-CZ 3.93Å; I163-F195 HydrophobicContact CD1-CD1 4.15Å; F169-F195 HydrophobicContact CE1-CB 4.24Å; F169-F195 HydrophobicContact CE2-CB 4.03Å; F169-F195 HydrophobicContact CZ-CB 3.54Å; I191-F195 HydrophobicContact CG2-CD2 4.2Å; I191-F195 HydrophobicContact CG2-CE2 4.04Å; I191-F195 WeakPolarHBondContact O-CD2 3.5Å; I191-F195 PolarHBondContact O-N 3.23Å; V192-F195 PolarHBondContact O-N 3.43Å; V192-F195 VanDerWaalsContact O-N 3.15Å; S193-F195 VanDerWaalsContact C-N 3.34Å; S193-F195 PolarHBondContact O-N 3.24Å; F195-A198 PolarHBondContact O-N 3.21Å; F195-S199 VanDerWaalsContact O-CB 3.3Å; F195-S199 WeakPolarHBondContact O-CB 3.15Å; F195-S199 PolarHBondContact O-N 3.2Å; F195-S199 PolarHBondContact O-OG 3.08Å
196R98.7Very high98.2Very high79 Ų7942.8 Ų42.830%0.29826%0.263SS..Hα-helixtrans-57.3-50175.9-74.3171.962.3179.6-0.2111.2F169 E174 V192 S193 G200 K201 E202F169-R196 HydrophobicContact CE1-CG 3.82Å; F169-R196 HydrophobicContact CZ-CG 4.25Å; E174-R196 IonicContact OE1-NH1 2.64Å; E174-R196 PolarHBondContact OE1-NH1 2.88Å; E174-R196 VanDerWaalsContact OE1-NH1 3.09Å; V192-R196 HydrophobicContact CG1-CG 4.2Å; V192-R196 WeakPolarHBondContact O-CG 3.16Å; V192-R196 PolarHBondContact O-N 2.75Å; S193-R196 PolarHBondContact O-N 3.44Å; R196-G200 VanDerWaalsContact O-CA 3.31Å; R196-G200 WeakPolarHBondContact O-CA 3.43Å; R196-G200 PolarHBondContact O-N 3.35Å; R196-K201 WeakPolarHBondContact CA-O 3.31Å; R196-E202 IonicContact CZ-OE1 2.6Å; R196-E202 VanDerWaalsContact CZ-OE1 3.24Å; R196-E202 IonicContact CZ-OE2 2.63Å; R196-E202 VanDerWaalsContact NE-CD 3.28Å; R196-E202 IonicContact NE-OE1 3.44Å; R196-E202 PolarHBondContact NE-OE1 3.22Å; R196-E202 IonicContact NE-OE2 3.13Å; R196-E202 PolarHBondContact NE-OE2 2.65Å; R196-E202 IonicContact NH1-OE2 2.72Å; R196-E202 VanDerWaalsContact NH2-CD 3.3Å; R196-E202 IonicContact NH2-OE1 3.26Å; R196-E202 PolarHBondContact NH2-OE1 3.42Å; R196-E202 IonicContact NH2-OE2 3.75Å; R196-E202 PolarHBondContact NH2-OE2 3.19Å; R196-E202 VanDerWaalsContact NH2-OE2 3.13Å
197V98.7Very high98.2Very high127 Ų12739.5 Ų39.577%0.7724%0.241SC*.Hα-helixtrans-64.5-46.2178.9173.60000111.3S193 S199S193-V197 WeakPolarHBondContact O-CG2 3.3Å; S193-V197 PolarHBondContact O-N 3.01Å; V197-S199 PolarHBondContact O-N 3.03Å
198A98.4Very high98.4Very high48 Ų4839.7 Ų39.740%0.39724%0.242SC..Hα-helixtrans-69.2-33.9-176.300000113.5L156 T160 A194 F195L156-A198 HydrophobicContact CD1-CB 4.15Å; T160-A198 HydrophobicContact CG2-CB 3.8Å; T160-A198 WeakPolarHBondContact CG2-O 3.48Å; T160-A198 WeakPolarHBondContact OG1-CB 3.07Å; A194-A198 VanDerWaalsContact O-CB 3.26Å; A194-A198 WeakPolarHBondContact O-CB 3.47Å; A194-A198 PolarHBondContact O-N 3.12Å; F195-A198 PolarHBondContact O-N 3.21Å
199S98.3Very high98.4Very high12 Ų1240.9 Ų40.98%0.08425%0.249CC..Hα-helixtrans-94.9-20.8-179.165.80000114.2F195 V197 K201F195-S199 VanDerWaalsContact O-CB 3.3Å; F195-S199 WeakPolarHBondContact O-CB 3.15Å; F195-S199 PolarHBondContact O-N 3.2Å; F195-S199 PolarHBondContact O-OG 3.08Å; V197-S199 PolarHBondContact O-N 3.03Å; S199-K201 PolarHBondContact O-N 2.6Å; S199-K201 PolarHBondContact OG-N 3.26Å
200G98.3Very high98.4Very high65 Ų6543.1 Ų43.167%0.6726%0.258SS*.THydrogen-bonded Turntrans64.620.9-169.600000113.5R196R196-G200 VanDerWaalsContact O-CA 3.31Å; R196-G200 WeakPolarHBondContact O-CA 3.43Å; R196-G200 PolarHBondContact O-N 3.35Å
201K98.6Very high98.4Very high118 Ų11845.7 Ų45.751%0.51326%0.262SS..  trans-118.7151.5-179.2-57.6-59.5-177.7-176.90111.3I163 F169 R196 S199I163-K201 HydrophobicContact CG2-CB 4.1Å; I163-K201 HydrophobicContact CG2-CG 3.75Å; F169-K201 HydrophobicContact CD1-CB 4.24Å; F169-K201 WeakPolarHBondContact CE1-O 3.49Å; R196-K201 WeakPolarHBondContact CA-O 3.31Å; S199-K201 PolarHBondContact O-N 2.6Å; S199-K201 PolarHBondContact OG-N 3.26Å
202E98.3Very high98.3Very high121 Ų12146.1 Ų46.157%0.56527%0.266SS*.PPolyproline II helixtrans-98.2138.5174.1-69.6-62148.300110.7R196R196-E202 IonicContact CZ-OE1 2.6Å; R196-E202 VanDerWaalsContact CZ-OE1 3.24Å; R196-E202 IonicContact CZ-OE2 2.63Å; R196-E202 VanDerWaalsContact NE-CD 3.28Å; R196-E202 IonicContact NE-OE1 3.44Å; R196-E202 PolarHBondContact NE-OE1 3.22Å; R196-E202 IonicContact NE-OE2 3.13Å; R196-E202 PolarHBondContact NE-OE2 2.65Å; R196-E202 IonicContact NH1-OE2 2.72Å; R196-E202 VanDerWaalsContact NH2-CD 3.3Å; R196-E202 IonicContact NH2-OE1 3.26Å; R196-E202 PolarHBondContact NH2-OE1 3.42Å; R196-E202 IonicContact NH2-OE2 3.75Å; R196-E202 PolarHBondContact NH2-OE2 3.19Å; R196-E202 VanDerWaalsContact NH2-OE2 3.13Å
203P98.6Very high98.3Very high16 Ų1646.1 Ų46.110%0.10427%0.266CS..PPolyproline II helixtrans-81.1155.6178.232.6-33.8000112.1F169 A171 V192 V205F169-P203 HydrophobicContact CD1-CB 3.8Å; F169-P203 HydrophobicContact CD1-CG 4.39Å; F169-P203 HydrophobicContact CD2-CB 3.9Å; F169-P203 HydrophobicContact CE1-CB 3.8Å; F169-P203 HydrophobicContact CE1-CG 3.98Å; F169-P203 HydrophobicContact CE2-CB 3.86Å; F169-P203 HydrophobicContact CG-CB 3.85Å; F169-P203 HydrophobicContact CZ-CB 3.81Å; F169-P203 HydrophobicContact CZ-CG 4.03Å; F169-P203 VanDerWaalsContact O-CA 3.29Å; F169-P203 WeakPolarHBondContact O-CA 3.34Å; A171-P203 HydrophobicContact CB-CB 3.82Å; A171-P203 HydrophobicContact CB-CG 3.99Å; V192-P203 HydrophobicContact CG1-CG 3.81Å; P203-V205 HydrophobicContact CG-CG2 4.04Å
204V98.4Very high98.2Very high71 Ų7144.8 Ų44.843%0.4325%0.253SS..EExtended strand (participates in β ladder)trans-80.8118.9156.41750000108.3F169 Y170 A171 F206F169-V204 PolarHBondContact O-N 2.83Å; Y170-V204 WeakPolarHBondContact CA-O 3.36Å; Y170-V204 HydrophobicContact CD1-CB 3.7Å; Y170-V204 HydrophobicContact CD1-CG1 4.24Å; Y170-V204 HydrophobicContact CE1-CB 3.92Å; Y170-V204 HydrophobicContact CE1-CG1 4.37Å; Y170-V204 HydrophobicContact CE1-CG2 4.32Å; A171-V204 PolarHBondContact N-O 2.99Å; V204-F206 HydrophobicContact CG1-CE1 4.49Å
205V98.6Very high98.1Very high8 Ų846.1 Ų46.15%0.04826%0.256CS..EExtended strand (participates in β ladder)trans-96.4134.2-174.9-172.40000110.8A171 E174 P203 H210A171-V205 HydrophobicContact CB-CG2 4.32Å; A171-V205 CarbonylContact O-C 3.58Å; A171-V205 WeakPolarHBondContact O-CA 3.26Å; E174-V205 HydrophobicContact CG-CG1 4.16Å; E174-V205 HydrophobicContact CG-CG2 3.87Å; P203-V205 HydrophobicContact CG-CG2 4.04Å; V205-H210 HydrophobicContact CB-CB 4.49Å; V205-H210 VanDerWaalsContact CG1-CD2 3.41Å; V205-H210 WeakPolarHBondContact CG1-CD2 3.38Å; V205-H210 WeakPolarHBondContact O-CB 3.46Å
206F98.5Very high97.9Very high0 Ų046.7 Ų46.70%026%0.259CS..  trans-93.2-27.7-176.9-62.5-53.3000114.6V83 A84 F87 L144 Y170 A171 V204 P212 M213V83-F206 HydrophobicContact CB-CB 4.29Å; V83-F206 HydrophobicContact CG1-CB 3.87Å; V83-F206 HydrophobicContact CG1-CD1 4.18Å; V83-F206 HydrophobicContact CG1-CG 4.28Å; A84-F206 HydrophobicContact CB-CD2 3.46Å; A84-F206 VanDerWaalsContact CB-CD2 3.46Å; A84-F206 HydrophobicContact CB-CE2 3.49Å; A84-F206 VanDerWaalsContact CB-CE2 3.49Å; A84-F206 HydrophobicContact CB-CG 4.27Å; A84-F206 HydrophobicContact CB-CZ 4.36Å; F87-F206 HydrophobicContact CB-CE1 3.83Å; F87-F206 HydrophobicContact CB-CZ 4.25Å; F87-F206 AromaticContact CD1-CE1 3.59Å; F87-F206 HydrophobicContact CD1-CE1 3.59Å; F87-F206 AromaticContact CD1-CZ 3.71Å; F87-F206 HydrophobicContact CD1-CZ 3.71Å; F87-F206 HydrophobicContact CD2-CE1 4.12Å; F87-F206 HydrophobicContact CE1-CE1 4.14Å; F87-F206 HydrophobicContact CE1-CZ 4.32Å; F87-F206 AromaticContact CG-CE1 3.57Å; F87-F206 HydrophobicContact CG-CE1 3.57Å; F87-F206 HydrophobicContact CG-CZ 4.1Å; L144-F206 HydrophobicContact CD1-CD2 4.15Å; L144-F206 HydrophobicContact CD1-CE2 3.74Å; Y170-F206 HydrophobicContact CD1-CE1 4.22Å; Y170-F206 HydrophobicContact CD1-CE2 4.17Å; Y170-F206 AromaticContact CD1-CZ 3.52Å; Y170-F206 HydrophobicContact CD1-CZ 3.52Å; Y170-F206 HydrophobicContact CE1-CZ 4.28Å; Y170-F206 HydrophobicContact CG-CE2 4.18Å; Y170-F206 AromaticContact CG-CZ 3.91Å; Y170-F206 HydrophobicContact CG-CZ 3.91Å; A171-F206 VanDerWaalsContact O-CD2 3.31Å; A171-F206 WeakPolarHBondContact O-CD2 3.37Å; A171-F206 PolarHBondContact O-N 3.19Å; V204-F206 HydrophobicContact CG1-CE1 4.49Å; F206-P212 HydrophobicContact CD1-CB 3.68Å; F206-P212 HydrophobicContact CD1-CG 3.97Å; F206-P212 HydrophobicContact CE1-CB 4.43Å; F206-M213 WeakPolarHBondContact O-CB 3.37Å
207G97.5Very high97.8Very high0 Ų043 Ų430%025%0.245CC..SBendtrans-69.8171.3-177.300000114.4N52 T80 T172 H210N52-G207 WeakPolarHBondContact OD1-CA 3.2Å; T80-G207 VanDerWaalsContact CG2-CA 3.49Å; T172-G207 WeakPolarHBondContact O-CA 3.21Å; T172-G207 PolarHBondContact O-N 3.47Å; G207-H210 WeakPolarHBondContact O-CA 3.2Å; G207-H210 WeakPolarHBondContact O-CB 3.38Å; G207-H210 PolarHBondContact O-CD2 3.33Å; G207-H210 PolarHBondContact O-N 3.25Å
208K98.2Very high97.7Very high5 Ų539.5 Ų39.52%0.02223%0.226CC..THydrogen-bonded Turntrans-58.5138.7165.8-62.7172.3-71.5-172.80109.5D18 I50 N52 M213 M230 D238 F241D18-K208 IonicContact OD1-NZ 2.76Å; D18-K208 PolarHBondContact OD1-NZ 3.16Å; I50-K208 HydrophobicContact CD1-CD 3.83Å; I50-K208 HydrophobicContact CG1-CD 4.11Å; I50-K208 PolarHBondContact O-NZ 3.49Å; N52-K208 PolarHBondContact ND2-O 3.13Å; N52-K208 VanDerWaalsContact ND2-O 3.14Å; N52-K208 PolarHBondContact OD1-N 3.1Å; K208-M213 HydrophobicContact CD-SD 4.18Å; K208-M213 HydrophobicContact CG-CE 4.45Å; K208-M213 HydrophobicContact CG-SD 3.54Å; K208-M213 VanDerWaalsContact CG-SD 3.54Å; K208-M230 HydrophobicContact CD-CE 3.98Å; K208-D238 WeakPolarHBondContact CD-OD1 3.39Å; K208-D238 VanDerWaalsContact CE-OD1 3.22Å; K208-D238 WeakPolarHBondContact CE-OD1 3.42Å; K208-D238 IonicContact NZ-OD1 3.24Å; K208-D238 PolarHBondContact NZ-OD1 3.25Å; K208-F241 HydrophobicContact CB-CB 4.12Å; K208-F241 HydrophobicContact CB-CD2 4.26Å; K208-F241 HydrophobicContact CB-CG 4.32Å; K208-F241 HydrophobicContact CD-CG 4.49Å; K208-F241 HydrophobicContact CG-CB 4.17Å; K208-F241 HydrophobicContact CG-CD1 4.4Å; K208-F241 HydrophobicContact CG-CD2 3.97Å; K208-F241 HydrophobicContact CG-CE2 4.43Å; K208-F241 HydrophobicContact CG-CG 3.94Å
209P97.9Very high97.4Very high25 Ų2544.4 Ų44.416%0.16224%0.241CC..THydrogen-bonded Turncis-96.332.35.438.8-36.2000114.4A240 F241 K244P209-A240 HydrophobicContact CB-CB 3.79Å; P209-A240 HydrophobicContact CG-CB 4.12Å; P209-F241 HydrophobicContact CB-CB 4.07Å; P209-K244 WeakPolarHBondContact O-CD 3.43Å; P209-K244 PolarHBondContact O-NZ 3.04Å; P209-K244 VanDerWaalsContact O-NZ 3.15Å
210H98.1Very high97.1Very high54 Ų5445.1 Ų45.125%0.2525%0.245CC..SBendtrans-89153.4-172.9-55.2-92.7000113V205 G207 P212V205-H210 HydrophobicContact CB-CB 4.49Å; V205-H210 VanDerWaalsContact CG1-CD2 3.41Å; V205-H210 WeakPolarHBondContact CG1-CD2 3.38Å; V205-H210 WeakPolarHBondContact O-CB 3.46Å; G207-H210 WeakPolarHBondContact O-CA 3.2Å; G207-H210 WeakPolarHBondContact O-CB 3.38Å; G207-H210 PolarHBondContact O-CD2 3.33Å; G207-H210 PolarHBondContact O-N 3.25Å; H210-P212 VanDerWaalsContact C-CD 3.44Å
211K97.1Very high96.7Very high112 Ų11242.6 Ų42.649%0.48722%0.217SC..Hα-helixtrans-61.6-36.1-173.5-167.3-177.3-176.5-59.50115.2M213 F214 D215 F245K211-M213 VanDerWaalsContact C-N 3.27Å; K211-M213 PolarHBondContact O-N 2.94Å; K211-F214 WeakPolarHBondContact O-CA 3.44Å; K211-F214 WeakPolarHBondContact O-CB 3.47Å; K211-F214 PolarHBondContact O-N 2.68Å; K211-D215 IonicContact NZ-OD1 2.73Å; K211-D215 PolarHBondContact NZ-OD1 3Å; K211-D215 IonicContact NZ-OD2 3.89Å; K211-D215 PolarHBondContact NZ-OD2 2.99Å; K211-D215 PolarHBondContact O-N 3.1Å; K211-F245 HydrophobicContact CB-CE1 4.35Å; K211-F245 HydrophobicContact CB-CZ 3.97Å; K211-F245 HydrophobicContact CG-CE1 4.12Å; K211-F245 HydrophobicContact CG-CZ 4.22Å
212P97.8Very high96.3Very high23 Ų2346.2 Ų46.215%0.14924%0.236CC..Hα-helixtrans-56.4-36.6-177-29.437.2000114.7V83 F206 H210 D215 L216V83-P212 HydrophobicContact CG1-CB 3.92Å; F206-P212 HydrophobicContact CD1-CB 3.68Å; F206-P212 HydrophobicContact CD1-CG 3.97Å; F206-P212 HydrophobicContact CE1-CB 4.43Å; H210-P212 VanDerWaalsContact C-CD 3.44Å; P212-D215 PolarHBondContact O-N 2.64Å; P212-L216 PolarHBondContact O-N 3.44Å; P212-L216 VanDerWaalsContact O-N 3.15Å
213M97.8Very high96Very high0 Ų041.7 Ų41.70%022%0.215CC..Hα-helixtrans-67.3-40.1174.7-177.1171.6-67.200112.3I50 I78 T80 V83 F206 K208 K211 D215 L216 L217 F241I50-M213 HydrophobicContact CB-SD 4.29Å; I50-M213 HydrophobicContact CD1-SD 4.28Å; I78-M213 HydrophobicContact CG2-CG 3.99Å; T80-M213 HydrophobicContact CG2-CE 3.61Å; V83-M213 HydrophobicContact CG2-CB 4.27Å; V83-M213 HydrophobicContact CG2-CE 4.26Å; V83-M213 HydrophobicContact CG2-CG 4.27Å; F206-M213 WeakPolarHBondContact O-CB 3.37Å; K208-M213 HydrophobicContact CD-SD 4.18Å; K208-M213 HydrophobicContact CG-CE 4.45Å; K208-M213 HydrophobicContact CG-SD 3.54Å; K208-M213 VanDerWaalsContact CG-SD 3.54Å; K211-M213 VanDerWaalsContact C-N 3.27Å; K211-M213 PolarHBondContact O-N 2.94Å; M213-D215 VanDerWaalsContact C-N 3.35Å; M213-L216 PolarHBondContact O-N 3.13Å; M213-L217 HydrophobicContact CG-CD1 4.4Å; M213-L217 WeakPolarHBondContact O-CG 3.31Å; M213-L217 PolarHBondContact O-N 3.46Å; M213-F241 HydrophobicContact CB-CE2 4.29Å; M213-F241 HydrophobicContact CG-CZ 4.39Å
214F97.2Very high95.9Very high27 Ų2743.9 Ų43.912%0.11823%0.226CC..Hα-helixtrans-63.1-42.7175.7-174.4-102.9000111.5K211 L216 L217 C218 L223 F241 F245 L247K211-F214 WeakPolarHBondContact O-CA 3.44Å; K211-F214 WeakPolarHBondContact O-CB 3.47Å; K211-F214 PolarHBondContact O-N 2.68Å; F214-L216 VanDerWaalsContact C-N 3.34Å; F214-L216 PolarHBondContact O-N 2.87Å; F214-L217 WeakPolarHBondContact O-CB 3.4Å; F214-L217 PolarHBondContact O-N 3.15Å; F214-L217 VanDerWaalsContact O-N 3.14Å; F214-C218 VanDerWaalsContact CE1-SG 3.54Å; F214-C218 PolarHBondContact O-N 2.76Å; F214-C218 PolarHBondContact O-SG 3.09Å; F214-C218 VanDerWaalsContact O-SG 3.39Å; F214-L223 HydrophobicContact CE2-CD1 4.31Å; F214-L223 HydrophobicContact CE2-CD2 3.91Å; F214-L223 HydrophobicContact CZ-CD2 4.09Å; F214-F241 HydrophobicContact CB-CE2 3.83Å; F214-F241 HydrophobicContact CB-CZ 3.75Å; F214-F241 HydrophobicContact CD2-CE1 4.43Å; F214-F241 AromaticContact CD2-CZ 3.97Å; F214-F241 HydrophobicContact CD2-CZ 3.97Å; F214-F241 HydrophobicContact CG-CZ 4.37Å; F214-F245 HydrophobicContact CB-CD1 4.3Å; F214-F245 HydrophobicContact CB-CD2 3.9Å; F214-F245 HydrophobicContact CB-CE1 4.19Å; F214-F245 HydrophobicContact CB-CE2 3.8Å; F214-F245 HydrophobicContact CB-CG 4.18Å; F214-F245 HydrophobicContact CB-CZ 3.97Å; F214-F245 HydrophobicContact CD1-CB 4.5Å; F214-F245 AromaticContact CD1-CD1 3.66Å; F214-F245 HydrophobicContact CD1-CD1 3.66Å; F214-F245 HydrophobicContact CD1-CE1 4.02Å; F214-F245 AromaticContact CD1-CG 3.99Å; F214-F245 HydrophobicContact CD1-CG 3.99Å; F214-F245 HydrophobicContact CD2-CB 3.68Å; F214-F245 HydrophobicContact CD2-CD1 4.16Å; F214-F245 AromaticContact CD2-CD2 3.8Å; F214-F245 HydrophobicContact CD2-CD2 3.8Å; F214-F245 AromaticContact CD2-CG 3.6Å; F214-F245 HydrophobicContact CD2-CG 3.6Å; F214-F245 HydrophobicContact CE1-CB 4.34Å; F214-F245 AromaticContact CE1-CD1 3.96Å; F214-F245 HydrophobicContact CE1-CD1 3.96Å; F214-F245 HydrophobicContact CE1-CG 4.27Å; F214-F245 HydrophobicContact CE2-CB 3.52Å; F214-F245 HydrophobicContact CE2-CD1 4.45Å; F214-F245 AromaticContact CE2-CG 3.93Å; F214-F245 HydrophobicContact CE2-CG 3.93Å; F214-F245 HydrophobicContact CG-CB 4.18Å; F214-F245 AromaticContact CG-CD1 3.76Å; F214-F245 HydrophobicContact CG-CD1 3.76Å; F214-F245 AromaticContact CG-CD2 3.83Å; F214-F245 HydrophobicContact CG-CD2 3.83Å; F214-F245 HydrophobicContact CG-CE1 4.1Å; F214-F245 HydrophobicContact CG-CE2 4.18Å; F214-F245 AromaticContact CG-CG 3.63Å; F214-F245 HydrophobicContact CG-CG 3.63Å; F214-F245 HydrophobicContact CG-CZ 4.32Å; F214-F245 HydrophobicContact CZ-CB 3.86Å; F214-F245 HydrophobicContact CZ-CD1 4.35Å; F214-F245 HydrophobicContact CZ-CG 4.24Å; F214-L247 HydrophobicContact CE2-CD2 4.21Å
215D96.4Very high95.8Very high57 Ų5742.7 Ų42.731%0.30522%0.22SC..Hα-helixtrans-61.3-42.1178.2-69.8-13.3000111.8K211 P212 M213 C218 Q219K211-D215 IonicContact NZ-OD1 2.73Å; K211-D215 PolarHBondContact NZ-OD1 3Å; K211-D215 IonicContact NZ-OD2 3.89Å; K211-D215 PolarHBondContact NZ-OD2 2.99Å; K211-D215 PolarHBondContact O-N 3.1Å; P212-D215 PolarHBondContact O-N 2.64Å; M213-D215 VanDerWaalsContact C-N 3.35Å; D215-C218 PolarHBondContact O-N 3.34Å; D215-Q219 WeakPolarHBondContact O-CG 3.41Å; D215-Q219 PolarHBondContact O-N 2.96Å; D215-Q219 VanDerWaalsContact O-N 3.15Å
216L95.8Very high95.7Very high13 Ų1345.4 Ų45.47%0.06824%0.239CC..Hα-helixtrans-65.8-37.9175.1-177.462.2000112.4I78 R82 V83 C86 P212 M213 F214 Q219 C220I78-L216 HydrophobicContact CD1-CD2 4.24Å; I78-L216 HydrophobicContact CD1-CG 4.39Å; I78-L216 HydrophobicContact CG2-CD2 4.25Å; R82-L216 HydrophobicContact CG-CD2 4.17Å; V83-L216 HydrophobicContact CB-CD2 4.35Å; V83-L216 HydrophobicContact CG2-CD2 3.77Å; C86-L216 HydrophobicContact CB-CD1 4.35Å; P212-L216 PolarHBondContact O-N 3.44Å; P212-L216 VanDerWaalsContact O-N 3.15Å; M213-L216 PolarHBondContact O-N 3.13Å; F214-L216 VanDerWaalsContact C-N 3.34Å; F214-L216 PolarHBondContact O-N 2.87Å; L216-Q219 WeakPolarHBondContact O-CB 3.29Å; L216-Q219 PolarHBondContact O-N 3.32Å; L216-C220 PolarHBondContact O-N 2.86Å; L216-C220 VanDerWaalsContact O-N 3.08Å; L216-C220 PolarHBondContact O-SG 2.97Å
217L96.3Very high95.6Very high0 Ų049 Ų490%026%0.255CS..Hα-helixtrans-60.6-45.9175.1-80.2164.1000111.3L16 F48 I50 I78 M213 F214 Q219 C220 C221 L223 F241L16-L217 HydrophobicContact CD1-CD1 3.93Å; L16-L217 HydrophobicContact CD2-CD1 4.39Å; L16-L217 HydrophobicContact CD2-CD2 3.86Å; F48-L217 HydrophobicContact CB-CD2 4.26Å; F48-L217 HydrophobicContact CD1-CD2 4.22Å; F48-L217 HydrophobicContact CD2-CD2 4.29Å; F48-L217 HydrophobicContact CG-CD2 4.01Å; I50-L217 HydrophobicContact CD1-CD1 4.36Å; I50-L217 HydrophobicContact CG2-CD1 4.46Å; I50-L217 HydrophobicContact CG2-CD2 4.13Å; I78-L217 HydrophobicContact CG1-CD2 3.79Å; I78-L217 HydrophobicContact CG1-CG 4.43Å; M213-L217 HydrophobicContact CG-CD1 4.4Å; M213-L217 WeakPolarHBondContact O-CG 3.31Å; M213-L217 PolarHBondContact O-N 3.46Å; F214-L217 WeakPolarHBondContact O-CB 3.4Å; F214-L217 PolarHBondContact O-N 3.15Å; F214-L217 VanDerWaalsContact O-N 3.14Å; L217-Q219 PolarHBondContact O-N 3.26Å; L217-C220 PolarHBondContact O-N 3.38Å; L217-C221 PolarHBondContact O-N 3.09Å; L217-C221 VanDerWaalsContact O-N 3.12Å; L217-C221 PolarHBondContact O-SG 2.63Å; L217-L223 HydrophobicContact CB-CD1 4.01Å; L217-F241 HydrophobicContact CD1-CE1 4.09Å; L217-F241 HydrophobicContact CD1-CZ 3.93Å
218C95.6Very high95.7Very high54 Ų5449 Ų4937%0.36526%0.255SS..Hα-helixtrans-63.3-24.7176-66.80000113.6F214 D215 C221F214-C218 VanDerWaalsContact CE1-SG 3.54Å; F214-C218 PolarHBondContact O-N 2.76Å; F214-C218 PolarHBondContact O-SG 3.09Å; F214-C218 VanDerWaalsContact O-SG 3.39Å; D215-C218 PolarHBondContact O-N 3.34Å; C218-C221 CarbonylContact C-O 3.59Å
219Q92.9Very high95.7Very high152 Ų15248.8 Ų48.871%0.7125%0.254SS*.Hα-helixtrans-79.3-27.4171.9-69.1171.6-2.500112.6D215 L216 L217D215-Q219 WeakPolarHBondContact O-CG 3.41Å; D215-Q219 PolarHBondContact O-N 2.96Å; D215-Q219 VanDerWaalsContact O-N 3.15Å; L216-Q219 WeakPolarHBondContact O-CB 3.29Å; L216-Q219 PolarHBondContact O-N 3.32Å; L217-Q219 PolarHBondContact O-N 3.26Å
220C91.1Very high95.7Very high27 Ų2747.6 Ų47.618%0.18225%0.246CC..Hα-helixtrans-84.3-23.3-178.4-67.70000113.5F48 R75 L216 L217F48-C220 HydrophobicContact CE1-CB 4.04Å; F48-C220 HydrophobicContact CZ-CB 4.21Å; R75-C220 PolarHBondContact NH2-O 3.18Å; L216-C220 PolarHBondContact O-N 2.86Å; L216-C220 VanDerWaalsContact O-N 3.08Å; L216-C220 PolarHBondContact O-SG 2.97Å; L217-C220 PolarHBondContact O-N 3.38Å
221C90.5Very high95.7Very high11 Ų1145 Ų457%0.07423%0.234CC..SBendtrans-153.9154.7175.959.60000111.3F48 L217 C218 L223F48-C221 HydrophobicContact CE2-CB 4.2Å; F48-C221 VanDerWaalsContact CE2-SG 3.55Å; F48-C221 HydrophobicContact CZ-CB 4.01Å; L217-C221 PolarHBondContact O-N 3.09Å; L217-C221 VanDerWaalsContact O-N 3.12Å; L217-C221 PolarHBondContact O-SG 2.63Å; C218-C221 CarbonylContact C-O 3.59Å; C221-L223 VanDerWaalsContact C-N 3.29Å; C221-L223 PolarHBondContact O-N 2.9Å
222E89.6Confident95.8Very high195 Ų19539.7 Ų39.791%0.91121%0.211SC*.  trans-65.591.3164.6-67.6179-175.500108.9
223L93.3Very high95.8Very high25 Ų2539 Ų3913%0.13121%0.206CC..  trans-88.7112.5-175.2-167.2155.6000109.5F214 L217 C221 P225 T228 L247F214-L223 HydrophobicContact CE2-CD1 4.31Å; F214-L223 HydrophobicContact CE2-CD2 3.91Å; F214-L223 HydrophobicContact CZ-CD2 4.09Å; L217-L223 HydrophobicContact CB-CD1 4.01Å; C221-L223 VanDerWaalsContact C-N 3.29Å; C221-L223 PolarHBondContact O-N 2.9Å; L223-P225 HydrophobicContact CD2-CG 4.17Å; L223-P225 WeakPolarHBondContact O-CD 3.37Å; L223-T228 HydrophobicContact CD1-CG2 4.43Å; L223-T228 HydrophobicContact CD2-CG2 4.36Å; L223-T228 HydrophobicContact CG-CG2 4.34Å; L223-L247 HydrophobicContact CD2-CD2 3.99Å
224D96.2Very high95.7Very high63 Ų6340.9 Ų40.934%0.33722%0.216SC..  trans-94.6112.5166.3178.7-10.3000109.2S226 K227 T228D224-S226 VanDerWaalsContact CG-OG 3.23Å; D224-S226 PolarHBondContact O-N 2.85Å; D224-S226 WeakPolarHBondContact OD1-CB 3.22Å; D224-S226 PolarHBondContact OD1-N 2.97Å; D224-S226 PolarHBondContact OD1-OG 2.9Å; D224-S226 PolarHBondContact OD2-OG 3.15Å; D224-K227 HydrophobicContact CB-CB 4.28Å; D224-K227 CarbonylContact O-C 3.23Å; D224-K227 PolarHBondContact O-N 3.47Å; D224-T228 WeakPolarHBondContact O-CB 3.46Å; D224-T228 PolarHBondContact O-N 2.87Å; D224-T228 VanDerWaalsContact O-N 3.13Å; D224-T228 PolarHBondContact O-OG1 3.33Å
225P96.2Very high95.7Very high45 Ų4539.6 Ų39.629%0.29221%0.211SC..G310 helixtrans-53-36.8178.1-30.638.1000114.1L223 K227 T228 L247L223-P225 HydrophobicContact CD2-CG 4.17Å; L223-P225 WeakPolarHBondContact O-CD 3.37Å; P225-K227 PolarHBondContact O-N 2.88Å; P225-T228 PolarHBondContact O-N 3.39Å; P225-L247 HydrophobicContact CB-CD2 3.86Å; P225-L247 HydrophobicContact CG-CD2 4.39Å
226S96Very high95.7Very high66 Ų6641.6 Ų41.646%0.46222%0.215SC..G310 helixtrans-71.3-16.9-178.8750000113.4D224 H248D224-S226 VanDerWaalsContact CG-OG 3.23Å; D224-S226 PolarHBondContact O-N 2.85Å; D224-S226 WeakPolarHBondContact OD1-CB 3.22Å; D224-S226 PolarHBondContact OD1-N 2.97Å; D224-S226 PolarHBondContact OD1-OG 2.9Å; D224-S226 PolarHBondContact OD2-OG 3.15Å; S226-H248 PolarHBondContact O-CD2 3.06Å; S226-H248 PolarHBondContact O-NE2 3.14Å
227K97.4Very high95.8Very high74 Ų7441.8 Ų41.832%0.32222%0.216SC..G310 helixtrans-117.621.1176.1-57.9-174.2-175.1177.50112.6C12 E13 T14 D224 P225C12-K227 CarbonylContact C-O 3.6Å; C12-K227 VanDerWaalsContact CA-O 3.24Å; C12-K227 WeakPolarHBondContact CA-O 3.28Å; E13-K227 HydrophobicContact CB-CB 4.43Å; E13-K227 VanDerWaalsContact CD-CD 3.47Å; E13-K227 HydrophobicContact CG-CB 4.49Å; E13-K227 HydrophobicContact CG-CD 4.09Å; E13-K227 PolarHBondContact N-O 3.15Å; E13-K227 VanDerWaalsContact OE1-CD 3.27Å; E13-K227 WeakPolarHBondContact OE1-CD 3.47Å; E13-K227 IonicContact OE1-NZ 2.62Å; E13-K227 PolarHBondContact OE1-NZ 3.31Å; E13-K227 IonicContact OE2-NZ 2.63Å; T14-K227 PolarHBondContact N-O 3.09Å; T14-K227 VanDerWaalsContact N-O 3.17Å; D224-K227 HydrophobicContact CB-CB 4.28Å; D224-K227 CarbonylContact O-C 3.23Å; D224-K227 PolarHBondContact O-N 3.47Å; P225-K227 PolarHBondContact O-N 2.88Å
228T98.2Very high95.9Very high1 Ų141.8 Ų41.81%0.00622%0.217CC..EExtended strand (participates in β ladder)trans-121.3135.3179.5-60.30000110.2T14 L16 L223 D224 P225 L247 H248T14-T228 HydrophobicContact CG2-CG2 3.97Å; T14-T228 WeakPolarHBondContact O-CA 3.38Å; L16-T228 HydrophobicContact CD1-CG2 3.99Å; L16-T228 HydrophobicContact CG-CG2 3.98Å; L223-T228 HydrophobicContact CD1-CG2 4.43Å; L223-T228 HydrophobicContact CD2-CG2 4.36Å; L223-T228 HydrophobicContact CG-CG2 4.34Å; D224-T228 WeakPolarHBondContact O-CB 3.46Å; D224-T228 PolarHBondContact O-N 2.87Å; D224-T228 VanDerWaalsContact O-N 3.13Å; D224-T228 PolarHBondContact O-OG1 3.33Å; P225-T228 PolarHBondContact O-N 3.39Å; T228-L247 HydrophobicContact CG2-CD1 4.09Å; T228-L247 HydrophobicContact CG2-CD2 4Å; T228-L247 HydrophobicContact CG2-CG 4.5Å; T228-H248 PolarHBondContact O-N 3.43Å
229V98.3Very high96Very high0 Ų039.2 Ų39.20%020%0.199CC..EExtended strand (participates in β ladder)trans-119.1131.4175.464.20000111.3C12 T14 F15 L16 V231 H248 I250C12-V229 HydrophobicContact CB-CG1 4.21Å; T14-V229 PolarHBondContact O-N 3.15Å; F15-V229 HydrophobicContact CB-CG1 4.37Å; F15-V229 HydrophobicContact CD1-CG1 3.35Å; F15-V229 HydrophobicContact CE1-CG1 3.68Å; F15-V229 HydrophobicContact CG-CG1 3.9Å; F15-V229 HydrophobicContact CZ-CG1 4.45Å; L16-V229 PolarHBondContact N-O 3.46Å; V229-V231 HydrophobicContact CG1-CG2 4.48Å; V229-V231 HydrophobicContact CG2-CG2 4.23Å; V229-H248 CarbonylContact C-O 3.54Å; V229-H248 WeakPolarHBondContact CA-O 3.35Å; V229-H248 HydrophobicContact CB-CB 4.03Å; V229-H248 HydrophobicContact CG2-CB 3.95Å; V229-I250 HydrophobicContact CG2-CD1 3.76Å; V229-I250 HydrophobicContact CG2-CG1 3.73Å
230M98.5Very high96.3Very high0 Ų032 Ų320%017%0.165CC..EExtended strand (participates in β ladder)trans-96.4121.1168.1-179.957.4-164.700109.7L16 D18 I50 K208 D238 L247 H248 T249 I250L16-M230 HydrophobicContact CB-SD 3.63Å; D18-M230 HydrophobicContact CB-CE 4.17Å; I50-M230 HydrophobicContact CD1-CE 3.89Å; I50-M230 HydrophobicContact CD1-SD 3.59Å; I50-M230 VanDerWaalsContact CD1-SD 3.59Å; I50-M230 HydrophobicContact CG1-CE 3.99Å; I50-M230 HydrophobicContact CG1-SD 4.14Å; K208-M230 HydrophobicContact CD-CE 3.98Å; M230-D238 HydrophobicContact CE-CB 3.54Å; M230-D238 WeakPolarHBondContact CE-OD1 3.34Å; M230-D238 HydrophobicContact CG-CB 4.35Å; M230-D238 WeakPolarHBondContact CG-O 2.98Å; M230-L247 HydrophobicContact CB-CD1 4.29Å; M230-H248 PolarHBondContact N-O 3.06Å; M230-T249 WeakPolarHBondContact O-CA 3.46Å; M230-I250 PolarHBondContact O-N 3.23Å
231V98.7Very high96.6Very high0 Ų030.7 Ų30.70%016%0.157CC..EExtended strand (participates in β ladder)trans-110.5118.4176.7-173.30000108.2L16 F17 D18 V22 V229 I250 V252 V283 I286L16-V231 PolarHBondContact O-N 2.95Å; F17-V231 WeakPolarHBondContact CA-O 3.18Å; F17-V231 HydrophobicContact CD1-CB 3.58Å; F17-V231 HydrophobicContact CD1-CG1 3.9Å; F17-V231 HydrophobicContact CD1-CG2 3.95Å; F17-V231 HydrophobicContact CE1-CB 3.82Å; F17-V231 HydrophobicContact CE1-CG1 4.03Å; F17-V231 HydrophobicContact CE1-CG2 3.68Å; F17-V231 HydrophobicContact CG-CB 4.43Å; F17-V231 HydrophobicContact CZ-CG2 4.36Å; D18-V231 PolarHBondContact N-O 3.22Å; V22-V231 HydrophobicContact CG1-CG1 4.04Å; V229-V231 HydrophobicContact CG1-CG2 4.48Å; V229-V231 HydrophobicContact CG2-CG2 4.23Å; V231-I250 WeakPolarHBondContact CA-O 3.48Å; V231-I250 HydrophobicContact CG2-CB 4.29Å; V231-V252 HydrophobicContact CG1-CG1 4.02Å; V231-V283 HydrophobicContact CG1-CG1 4.4Å; V231-I286 HydrophobicContact CG1-CD1 3.71Å; V231-I286 HydrophobicContact CG2-CD1 3.99Å
232G98.3Very high97Very high0 Ų030.2 Ų30.20%015%0.153CC..EExtended strand (participates in β ladder)trans-148.8164.7-173.100000112.8D238 I250 C251 V252G232-D238 WeakPolarHBondContact CA-OD2 3.42Å; G232-I250 PolarHBondContact N-O 3.4Å; G232-C251 CarbonylContact O-C 3.47Å; G232-C251 VanDerWaalsContact O-CA 3.24Å; G232-C251 WeakPolarHBondContact O-CA 3.46Å; G232-V252 PolarHBondContact O-N 3.24Å
233D97Very high97.4Very high8 Ų822.7 Ų22.74%0.04312%0.119CC..SBendtrans-108.6-5.9174.772.4-56.5000112.3V22 D238 V252 G255 V256 T257V22-D233 HydrophobicContact CG2-CB 3.86Å; D233-D238 PolarHBondContact N-OD2 2.93Å; D233-V252 HydrophobicContact CB-CG2 4.25Å; D233-G255 VanDerWaalsContact OD2-CA 3.24Å; D233-G255 WeakPolarHBondContact OD2-CA 3.19Å; D233-V256 WeakPolarHBondContact OD2-CG2 3.29Å; D233-V256 PolarHBondContact OD2-N 2.9Å; D233-T257 WeakPolarHBondContact O-CB 3.4Å; D233-T257 PolarHBondContact O-N 2.97Å; D233-T257 VanDerWaalsContact O-N 3.09Å; D233-T257 PolarHBondContact O-OG1 2.73Å
234N96.9Very high97.6Very high40 Ų4026.5 Ų26.521%0.21414%0.135CC..  trans-118.1119.9-177-175.1-18.5000112.1Y236 T237 D238 I239 V256N234-Y236 VanDerWaalsContact C-N 3.34Å; N234-Y236 PolarHBondContact O-N 3.37Å; N234-Y236 PolarHBondContact OD1-N 2.92Å; N234-T237 VanDerWaalsContact CB-OG1 3.25Å; N234-T237 WeakPolarHBondContact CB-OG1 3.31Å; N234-T237 VanDerWaalsContact CG-OG1 3.23Å; N234-T237 PolarHBondContact ND2-OG1 3.43Å; N234-D238 PolarHBondContact N-OD2 2.68Å; N234-D238 WeakPolarHBondContact O-CB 3.3Å; N234-D238 PolarHBondContact O-N 2.85Å; N234-I239 PolarHBondContact O-N 3.34Å; N234-V256 HydrophobicContact CB-CG2 3.64Å
235L97.5Very high97.7Very high0 Ų025.1 Ų25.10%013%0.126CC..Iπ-helixtrans-63.6-37.5-177.4-57.8-170.5000113.6I239 A240 C251 T257 L261 I262 V265 F274 P276L235-I239 HydrophobicContact CD2-CB 4.25Å; L235-I239 HydrophobicContact CD2-CG1 3.65Å; L235-A240 PolarHBondContact O-N 3Å; L235-C251 HydrophobicContact CD2-CB 4.31Å; L235-T257 HydrophobicContact CD1-CG2 4.05Å; L235-T257 HydrophobicContact CD2-CG2 3.91Å; L235-T257 HydrophobicContact CG-CG2 3.79Å; L235-L261 HydrophobicContact CD1-CD2 4.02Å; L235-L261 HydrophobicContact CD1-CG 3.75Å; L235-L261 HydrophobicContact CG-CD2 4.37Å; L235-I262 HydrophobicContact CD1-CD1 4.1Å; L235-I262 HydrophobicContact CD2-CD1 3.77Å; L235-I262 HydrophobicContact CG-CD1 4.46Å; L235-V265 HydrophobicContact CD1-CB 4.47Å; L235-V265 HydrophobicContact CD1-CG1 3.9Å; L235-V265 HydrophobicContact CD1-CG2 3.74Å; L235-F274 HydrophobicContact CB-CB 4.34Å; L235-P276 HydrophobicContact CD2-CG 4.18Å
236Y96.1Very high97.8Very high99 Ų9925.1 Ų25.139%0.38813%0.134SC..Iπ-helixtrans-84.2-14.5-171.8-56.5-76000113.1N234 A240 L261 F274N234-Y236 VanDerWaalsContact C-N 3.34Å; N234-Y236 PolarHBondContact O-N 3.37Å; N234-Y236 PolarHBondContact OD1-N 2.92Å; Y236-A240 WeakPolarHBondContact O-CB 3.31Å; Y236-L261 HydrophobicContact CE2-CD2 4.24Å; Y236-F274 AromaticContact CD1-CD1 3.67Å; Y236-F274 HydrophobicContact CD1-CD1 3.67Å; Y236-F274 HydrophobicContact CD1-CD2 4.24Å; Y236-F274 AromaticContact CD1-CE1 3.73Å; Y236-F274 HydrophobicContact CD1-CE1 3.73Å; Y236-F274 HydrophobicContact CD1-CE2 4.29Å; Y236-F274 AromaticContact CD1-CG 3.95Å; Y236-F274 HydrophobicContact CD1-CG 3.95Å; Y236-F274 HydrophobicContact CD1-CZ 4.05Å; Y236-F274 HydrophobicContact CE1-CD1 4.3Å; Y236-F274 HydrophobicContact CE1-CD2 4.12Å; Y236-F274 HydrophobicContact CE1-CE2 4.33Å; Y236-F274 HydrophobicContact CE1-CG 4.11Å; Y236-F274 HydrophobicContact CG-CD1 4.45Å
237T96.9Very high97.9Very high17 Ų1722 Ų2210%0.10411%0.112CC..Iπ-helixtrans-112-66.9176.256.20000110.6N234 F241N234-T237 VanDerWaalsContact CB-OG1 3.25Å; N234-T237 WeakPolarHBondContact CB-OG1 3.31Å; N234-T237 VanDerWaalsContact CG-OG1 3.23Å; N234-T237 PolarHBondContact ND2-OG1 3.43Å; T237-F241 WeakPolarHBondContact O-CB 3.49Å; T237-F241 PolarHBondContact O-N 3.1Å
238D98.2Very high97.9Very high1 Ų119.9 Ų19.91%0.00510%0.103CC..Iπ-helixtrans-71.6-49.4-170.3-55.3-46.6000112.8K208 M230 G232 D233 N234 F241 G242K208-D238 WeakPolarHBondContact CD-OD1 3.39Å; K208-D238 VanDerWaalsContact CE-OD1 3.22Å; K208-D238 WeakPolarHBondContact CE-OD1 3.42Å; K208-D238 IonicContact NZ-OD1 3.24Å; K208-D238 PolarHBondContact NZ-OD1 3.25Å; M230-D238 HydrophobicContact CE-CB 3.54Å; M230-D238 WeakPolarHBondContact CE-OD1 3.34Å; M230-D238 HydrophobicContact CG-CB 4.35Å; M230-D238 WeakPolarHBondContact CG-O 2.98Å; G232-D238 WeakPolarHBondContact CA-OD2 3.42Å; D233-D238 PolarHBondContact N-OD2 2.93Å; N234-D238 PolarHBondContact N-OD2 2.68Å; N234-D238 WeakPolarHBondContact O-CB 3.3Å; N234-D238 PolarHBondContact O-N 2.85Å; D238-F241 WeakPolarHBondContact O-CB 3.31Å; D238-F241 PolarHBondContact O-N 3.29Å; D238-G242 PolarHBondContact O-N 3.34Å
239I98.5Very high97.9Very high0 Ų019.8 Ų19.80%010%0.103CC..Iπ-helixtrans-72.4-43.6-177.2-54.3-51.8000109.6N234 L235 F241 G242 N243 T249 C251 P276N234-I239 PolarHBondContact O-N 3.34Å; L235-I239 HydrophobicContact CD2-CB 4.25Å; L235-I239 HydrophobicContact CD2-CG1 3.65Å; I239-F241 VanDerWaalsContact C-N 3.28Å; I239-F241 PolarHBondContact O-N 3.15Å; I239-G242 PolarHBondContact O-N 2.97Å; I239-N243 WeakPolarHBondContact O-CB 3.3Å; I239-N243 PolarHBondContact O-N 2.91Å; I239-T249 HydrophobicContact CG2-CG2 4.32Å; I239-C251 HydrophobicContact CD1-CB 3.9Å; I239-C251 HydrophobicContact CG1-CB 4.21Å; I239-P276 HydrophobicContact CD1-CB 4.05Å; I239-P276 HydrophobicContact CG1-CB 4.18Å; I239-P276 HydrophobicContact CG2-CB 3.88Å
240A98.2Very high97.9Very high0 Ų019.8 Ų19.80%010%0.103CC..Hα-helixtrans-54.3-43.6169.600000112.3P209 L235 Y236 K244 L273 F274P209-A240 HydrophobicContact CB-CB 3.79Å; P209-A240 HydrophobicContact CG-CB 4.12Å; L235-A240 PolarHBondContact O-N 3Å; Y236-A240 WeakPolarHBondContact O-CB 3.31Å; A240-K244 WeakPolarHBondContact O-CB 3.41Å; A240-K244 PolarHBondContact O-N 2.88Å; A240-L273 WeakPolarHBondContact CA-O 3.34Å; A240-L273 HydrophobicContact CB-CD2 4.46Å; A240-L273 HydrophobicContact CB-CG 4.2Å; A240-F274 HydrophobicContact CB-CD1 3.9Å; A240-F274 HydrophobicContact CB-CE1 3.97Å
241F98.6Very high97.8Very high0 Ų019.8 Ų19.80%010%0.103CC..Hα-helixtrans-62.1-51.7177.7-178.1-101.2000111.3L16 I50 K208 P209 M213 F214 L217 T237 D238 I239 N243 K244 F245 L247L16-F241 HydrophobicContact CD1-CE1 4.26Å; I50-F241 HydrophobicContact CD1-CD1 4.4Å; I50-F241 HydrophobicContact CD1-CE1 4.09Å; K208-F241 HydrophobicContact CB-CB 4.12Å; K208-F241 HydrophobicContact CB-CD2 4.26Å; K208-F241 HydrophobicContact CB-CG 4.32Å; K208-F241 HydrophobicContact CD-CG 4.49Å; K208-F241 HydrophobicContact CG-CB 4.17Å; K208-F241 HydrophobicContact CG-CD1 4.4Å; K208-F241 HydrophobicContact CG-CD2 3.97Å; K208-F241 HydrophobicContact CG-CE2 4.43Å; K208-F241 HydrophobicContact CG-CG 3.94Å; P209-F241 HydrophobicContact CB-CB 4.07Å; M213-F241 HydrophobicContact CB-CE2 4.29Å; M213-F241 HydrophobicContact CG-CZ 4.39Å; F214-F241 HydrophobicContact CB-CE2 3.83Å; F214-F241 HydrophobicContact CB-CZ 3.75Å; F214-F241 HydrophobicContact CD2-CE1 4.43Å; F214-F241 AromaticContact CD2-CZ 3.97Å; F214-F241 HydrophobicContact CD2-CZ 3.97Å; F214-F241 HydrophobicContact CG-CZ 4.37Å; L217-F241 HydrophobicContact CD1-CE1 4.09Å; L217-F241 HydrophobicContact CD1-CZ 3.93Å; T237-F241 WeakPolarHBondContact O-CB 3.49Å; T237-F241 PolarHBondContact O-N 3.1Å; D238-F241 WeakPolarHBondContact O-CB 3.31Å; D238-F241 PolarHBondContact O-N 3.29Å; I239-F241 VanDerWaalsContact C-N 3.28Å; I239-F241 PolarHBondContact O-N 3.15Å; F241-N243 PolarHBondContact O-N 3.47Å; F241-K244 PolarHBondContact O-N 2.72Å; F241-F245 AromaticContact CD2-CD2 3.78Å; F241-F245 HydrophobicContact CD2-CD2 3.78Å; F241-F245 AromaticContact CD2-CE2 3.61Å; F241-F245 HydrophobicContact CD2-CE2 3.61Å; F241-F245 AromaticContact CE2-CD2 3.76Å; F241-F245 HydrophobicContact CE2-CD2 3.76Å; F241-F245 AromaticContact CE2-CE2 3.58Å; F241-F245 HydrophobicContact CE2-CE2 3.58Å; F241-F245 HydrophobicContact CG-CD2 4.24Å; F241-F245 HydrophobicContact CG-CE2 4.46Å; F241-F245 HydrophobicContact CZ-CD2 4.17Å; F241-F245 HydrophobicContact CZ-CE2 4.39Å; F241-F245 VanDerWaalsContact O-CD2 3.23Å; F241-F245 WeakPolarHBondContact O-CD2 3Å; F241-F245 PolarHBondContact O-N 3.13Å; F241-L247 HydrophobicContact CD1-CD1 4.46Å; F241-L247 HydrophobicContact CE1-CD1 4.32Å
242G98.4Very high97.8Very high0 Ų019.8 Ų19.80%010%0.103CC..Hα-helixtrans-60.9-47179.800000112.4D238 I239 F245 G246 L247D238-G242 PolarHBondContact O-N 3.34Å; I239-G242 PolarHBondContact O-N 2.97Å; G242-F245 PolarHBondContact O-N 3.26Å; G242-G246 PolarHBondContact O-N 2.99Å; G242-G246 VanDerWaalsContact O-N 3.14Å; G242-L247 WeakPolarHBondContact O-CB 3.31Å; G242-L247 PolarHBondContact O-N 2.95Å
243N98.2Very high97.7Very high37 Ų3721.7 Ų21.720%0.19811%0.112CC..Hα-helixtrans-65-43.7179.7-71.4-16.1000112.2I239 F241 F245 G246 T249 L273 R275I239-N243 WeakPolarHBondContact O-CB 3.3Å; I239-N243 PolarHBondContact O-N 2.91Å; F241-N243 PolarHBondContact O-N 3.47Å; N243-F245 PolarHBondContact O-N 3.21Å; N243-G246 PolarHBondContact O-N 3.08Å; N243-T249 VanDerWaalsContact OD1-CG2 3.27Å; N243-T249 WeakPolarHBondContact OD1-CG2 3.3Å; N243-T249 PolarHBondContact OD1-OG1 2.86Å; N243-T249 VanDerWaalsContact OD1-OG1 3.06Å; N243-L273 HydrophobicContact CB-CD1 4.07Å; N243-L273 WeakPolarHBondContact CB-O 3.4Å; N243-L273 PolarHBondContact ND2-O 3.09Å; N243-R275 PolarHBondContact ND2-O 2.92Å
244K98.1Very high97.7Very high106 Ų10623.1 Ų23.146%0.46112%0.121SC..Hα-helixtrans-58.1-35.6179.1-174.3173.1179.9176.10113.2P209 A240 F241 L273P209-K244 WeakPolarHBondContact O-CD 3.43Å; P209-K244 PolarHBondContact O-NZ 3.04Å; P209-K244 VanDerWaalsContact O-NZ 3.15Å; A240-K244 WeakPolarHBondContact O-CB 3.41Å; A240-K244 PolarHBondContact O-N 2.88Å; F241-K244 PolarHBondContact O-N 2.72Å; K244-L273 HydrophobicContact CB-CD1 4.02Å
245F97.7Very high97.6Very high34 Ų3422.8 Ų22.815%0.14913%0.127CC..THydrogen-bonded Turntrans-104.516.1-178.1-60.7-65.1000113.3K211 F214 F241 G242 N243 L247K211-F245 HydrophobicContact CB-CE1 4.35Å; K211-F245 HydrophobicContact CB-CZ 3.97Å; K211-F245 HydrophobicContact CG-CE1 4.12Å; K211-F245 HydrophobicContact CG-CZ 4.22Å; F214-F245 HydrophobicContact CB-CD1 4.3Å; F214-F245 HydrophobicContact CB-CD2 3.9Å; F214-F245 HydrophobicContact CB-CE1 4.19Å; F214-F245 HydrophobicContact CB-CE2 3.8Å; F214-F245 HydrophobicContact CB-CG 4.18Å; F214-F245 HydrophobicContact CB-CZ 3.97Å; F214-F245 HydrophobicContact CD1-CB 4.5Å; F214-F245 AromaticContact CD1-CD1 3.66Å; F214-F245 HydrophobicContact CD1-CD1 3.66Å; F214-F245 HydrophobicContact CD1-CE1 4.02Å; F214-F245 AromaticContact CD1-CG 3.99Å; F214-F245 HydrophobicContact CD1-CG 3.99Å; F214-F245 HydrophobicContact CD2-CB 3.68Å; F214-F245 HydrophobicContact CD2-CD1 4.16Å; F214-F245 AromaticContact CD2-CD2 3.8Å; F214-F245 HydrophobicContact CD2-CD2 3.8Å; F214-F245 AromaticContact CD2-CG 3.6Å; F214-F245 HydrophobicContact CD2-CG 3.6Å; F214-F245 HydrophobicContact CE1-CB 4.34Å; F214-F245 AromaticContact CE1-CD1 3.96Å; F214-F245 HydrophobicContact CE1-CD1 3.96Å; F214-F245 HydrophobicContact CE1-CG 4.27Å; F214-F245 HydrophobicContact CE2-CB 3.52Å; F214-F245 HydrophobicContact CE2-CD1 4.45Å; F214-F245 AromaticContact CE2-CG 3.93Å; F214-F245 HydrophobicContact CE2-CG 3.93Å; F214-F245 HydrophobicContact CG-CB 4.18Å; F214-F245 AromaticContact CG-CD1 3.76Å; F214-F245 HydrophobicContact CG-CD1 3.76Å; F214-F245 AromaticContact CG-CD2 3.83Å; F214-F245 HydrophobicContact CG-CD2 3.83Å; F214-F245 HydrophobicContact CG-CE1 4.1Å; F214-F245 HydrophobicContact CG-CE2 4.18Å; F214-F245 AromaticContact CG-CG 3.63Å; F214-F245 HydrophobicContact CG-CG 3.63Å; F214-F245 HydrophobicContact CG-CZ 4.32Å; F214-F245 HydrophobicContact CZ-CB 3.86Å; F214-F245 HydrophobicContact CZ-CD1 4.35Å; F214-F245 HydrophobicContact CZ-CG 4.24Å; F241-F245 AromaticContact CD2-CD2 3.78Å; F241-F245 HydrophobicContact CD2-CD2 3.78Å; F241-F245 AromaticContact CD2-CE2 3.61Å; F241-F245 HydrophobicContact CD2-CE2 3.61Å; F241-F245 AromaticContact CE2-CD2 3.76Å; F241-F245 HydrophobicContact CE2-CD2 3.76Å; F241-F245 AromaticContact CE2-CE2 3.58Å; F241-F245 HydrophobicContact CE2-CE2 3.58Å; F241-F245 HydrophobicContact CG-CD2 4.24Å; F241-F245 HydrophobicContact CG-CE2 4.46Å; F241-F245 HydrophobicContact CZ-CD2 4.17Å; F241-F245 HydrophobicContact CZ-CE2 4.39Å; F241-F245 VanDerWaalsContact O-CD2 3.23Å; F241-F245 WeakPolarHBondContact O-CD2 3Å; F241-F245 PolarHBondContact O-N 3.13Å; G242-F245 PolarHBondContact O-N 3.26Å; N243-F245 PolarHBondContact O-N 3.21Å; F245-L247 VanDerWaalsContact C-N 3.31Å; F245-L247 HydrophobicContact CB-CG 4.41Å; F245-L247 PolarHBondContact O-N 3.41Å
246G97.4Very high97.4Very high44 Ų4427.2 Ų27.245%0.45415%0.154SC..THydrogen-bonded Turntrans73.515.8172.400000115.4G242 N243G242-G246 PolarHBondContact O-N 2.99Å; G242-G246 VanDerWaalsContact O-N 3.14Å; N243-G246 PolarHBondContact O-N 3.08Å
247L98Very high97.3Very high0 Ų022.6 Ų22.60%014%0.137CC..  trans-74.4163.7179-43.1-173.9000111.1L16 F214 L223 P225 T228 M230 F241 G242 F245 K277L16-L247 HydrophobicContact CD1-CD1 3.76Å; F214-L247 HydrophobicContact CE2-CD2 4.21Å; L223-L247 HydrophobicContact CD2-CD2 3.99Å; P225-L247 HydrophobicContact CB-CD2 3.86Å; P225-L247 HydrophobicContact CG-CD2 4.39Å; T228-L247 HydrophobicContact CG2-CD1 4.09Å; T228-L247 HydrophobicContact CG2-CD2 4Å; T228-L247 HydrophobicContact CG2-CG 4.5Å; M230-L247 HydrophobicContact CB-CD1 4.29Å; F241-L247 HydrophobicContact CD1-CD1 4.46Å; F241-L247 HydrophobicContact CE1-CD1 4.32Å; G242-L247 WeakPolarHBondContact O-CB 3.31Å; G242-L247 PolarHBondContact O-N 2.95Å; F245-L247 VanDerWaalsContact C-N 3.31Å; F245-L247 HydrophobicContact CB-CG 4.41Å; F245-L247 PolarHBondContact O-N 3.41Å; L247-K277 PolarHBondContact O-NZ 2.92Å
248H97.8Very high97.2Very high30 Ų3026.1 Ų26.114%0.13916%0.155CC..EExtended strand (participates in β ladder)trans-69.8147157.8-68.1-79.8000109.9V8 S226 T228 V229 M230V8-H248 HydrophobicContact CG1-CB 3.66Å; V8-H248 WeakPolarHBondContact CG1-ND1 3.48Å; S226-H248 PolarHBondContact O-CD2 3.06Å; S226-H248 PolarHBondContact O-NE2 3.14Å; T228-H248 PolarHBondContact O-N 3.43Å; V229-H248 CarbonylContact C-O 3.54Å; V229-H248 WeakPolarHBondContact CA-O 3.35Å; V229-H248 HydrophobicContact CB-CB 4.03Å; V229-H248 HydrophobicContact CG2-CB 3.95Å; M230-H248 PolarHBondContact N-O 3.06Å
249T98.1Very high97Very high0 Ų030.3 Ų30.30%017%0.174CC..EExtended strand (participates in β ladder)trans-127.5130.4-179.446.80000111M230 I239 N243 K277 Y278M230-T249 WeakPolarHBondContact O-CA 3.46Å; I239-T249 HydrophobicContact CG2-CG2 4.32Å; N243-T249 VanDerWaalsContact OD1-CG2 3.27Å; N243-T249 WeakPolarHBondContact OD1-CG2 3.3Å; N243-T249 PolarHBondContact OD1-OG1 2.86Å; N243-T249 VanDerWaalsContact OD1-OG1 3.06Å; T249-K277 PolarHBondContact O-N 3.48Å; T249-K277 PolarHBondContact OG1-N 3.38Å; T249-Y278 WeakPolarHBondContact O-CD2 3.3Å; T249-Y278 PolarHBondContact O-N 3.35Å; T249-Y278 VanDerWaalsContact O-N 3.11Å
250I97.8Very high96.9Very high0 Ų033.6 Ų33.60%020%0.201CC..EExtended strand (participates in β ladder)trans-124.2117172.7-58.9-178.9000107.6L9 V229 M230 V231 G232 Y278 L280 I286L9-I250 HydrophobicContact CD2-CD1 3.62Å; L9-I250 HydrophobicContact CG-CD1 4.18Å; V229-I250 HydrophobicContact CG2-CD1 3.76Å; V229-I250 HydrophobicContact CG2-CG1 3.73Å; M230-I250 PolarHBondContact O-N 3.23Å; V231-I250 WeakPolarHBondContact CA-O 3.48Å; V231-I250 HydrophobicContact CG2-CB 4.29Å; G232-I250 PolarHBondContact N-O 3.4Å; I250-Y278 CarbonylContact C-O 3.32Å; I250-Y278 WeakPolarHBondContact CA-O 3.14Å; I250-Y278 HydrophobicContact CG1-CD2 4.07Å; I250-L280 HydrophobicContact CG2-CB 4.39Å; I250-L280 HydrophobicContact CG2-CD1 3.78Å; I250-L280 HydrophobicContact CG2-CG 3.99Å; I250-I286 HydrophobicContact CD1-CD1 4.45Å; I250-I286 HydrophobicContact CG2-CD1 4.37Å
251C98.2Very high96.8Very high0 Ų035.5 Ų35.50%021%0.211CC..EExtended strand (participates in β ladder)trans-88.9127.9169.1-175.80000109.8G232 L235 I239 I262 P276 Y278 V279 L280G232-C251 CarbonylContact O-C 3.47Å; G232-C251 VanDerWaalsContact O-CA 3.24Å; G232-C251 WeakPolarHBondContact O-CA 3.46Å; L235-C251 HydrophobicContact CD2-CB 4.31Å; I239-C251 HydrophobicContact CD1-CB 3.9Å; I239-C251 HydrophobicContact CG1-CB 4.21Å; C251-I262 HydrophobicContact CB-CD1 4.39Å; C251-P276 HydrophobicContact CB-CB 3.61Å; C251-P276 HydrophobicContact CB-CG 3.77Å; C251-Y278 PolarHBondContact N-O 3.5Å; C251-V279 HydrophobicContact CB-CG2 4.42Å; C251-V279 CarbonylContact O-C 3.26Å; C251-V279 WeakPolarHBondContact O-CA 3.06Å; C251-L280 PolarHBondContact O-N 3.29Å
252V97.7Very high96.6Very high0 Ų035.6 Ų35.60%021%0.212CC..EExtended strand (participates in β ladder)trans-101.3145169.5-65.30000110.5V22 V231 G232 D233 T254 L280 V283V22-V252 HydrophobicContact CB-CG2 4.27Å; V22-V252 HydrophobicContact CG1-CG2 4.11Å; V22-V252 HydrophobicContact CG2-CG2 3.73Å; V231-V252 HydrophobicContact CG1-CG1 4.02Å; G232-V252 PolarHBondContact O-N 3.24Å; D233-V252 HydrophobicContact CB-CG2 4.25Å; V252-T254 VanDerWaalsContact C-N 3.3Å; V252-T254 WeakPolarHBondContact CG2-OG1 3.48Å; V252-T254 PolarHBondContact O-N 2.84Å; V252-L280 WeakPolarHBondContact CA-O 3.33Å; V252-V283 HydrophobicContact CG1-CG1 4.43Å
253L97.2Very high96.5Very high39 Ų3939.4 Ų39.420%0.20423%0.232CC..THydrogen-bonded Turntrans-93.119.4-176.7-57.8-175.9000113.5T257 I262 V279 L280 Q281L253-T257 HydrophobicContact CD2-CG2 4.49Å; L253-I262 HydrophobicContact CD2-CG1 4.45Å; L253-V279 HydrophobicContact CD1-CG1 4.18Å; L253-V279 HydrophobicContact CD2-CG1 3.9Å; L253-V279 HydrophobicContact CG-CG1 3.99Å; L253-L280 PolarHBondContact N-O 3.19Å; L253-L280 VanDerWaalsContact N-O 3.17Å; L253-Q281 PolarHBondContact N-O 3.35Å
254T96.5Very high96.4Very high38 Ų3844.1 Ų44.123%0.23325%0.251CS..THydrogen-bonded Turntrans-86.6-3.9-179.941.40000114.6G21 I30 V252 S282G21-T254 CarbonylContact O-C 3.41Å; G21-T254 VanDerWaalsContact O-CB 3.23Å; G21-T254 WeakPolarHBondContact O-CB 3.29Å; G21-T254 PolarHBondContact O-OG1 2.67Å; I30-T254 HydrophobicContact CD1-CG2 4.34Å; I30-T254 HydrophobicContact CG2-CG2 4.08Å; V252-T254 VanDerWaalsContact C-N 3.3Å; V252-T254 WeakPolarHBondContact CG2-OG1 3.48Å; V252-T254 PolarHBondContact O-N 2.84Å; T254-S282 VanDerWaalsContact CG2-CB 3.49Å
255G94.1Very high96.3Very high33 Ų3339.1 Ų39.134%0.3423%0.229SC..SBendtrans-128.7-130.5-176.200000113.4D233D233-G255 VanDerWaalsContact OD2-CA 3.24Å; D233-G255 WeakPolarHBondContact OD2-CA 3.19Å
256V93.3Very high96Very high93 Ų9341 Ų4156%0.56424%0.241SC*.SBendtrans-81.7-21.9-167.2-56.30000114.6D233 N234D233-V256 WeakPolarHBondContact OD2-CG2 3.29Å; D233-V256 PolarHBondContact OD2-N 2.9Å; N234-V256 HydrophobicContact CB-CG2 3.64Å
257T94.4Very high95.8Very high3 Ų344.1 Ų44.12%0.01826%0.255CS..  trans-86.4134.9178-61.90000111.5D233 L235 L253 L261 I262D233-T257 WeakPolarHBondContact O-CB 3.4Å; D233-T257 PolarHBondContact O-N 2.97Å; D233-T257 VanDerWaalsContact O-N 3.09Å; D233-T257 PolarHBondContact O-OG1 2.73Å; L235-T257 HydrophobicContact CD1-CG2 4.05Å; L235-T257 HydrophobicContact CD2-CG2 3.91Å; L235-T257 HydrophobicContact CG-CG2 3.79Å; L253-T257 HydrophobicContact CD2-CG2 4.49Å; T257-L261 HydrophobicContact CG2-CB 4.46Å; T257-L261 HydrophobicContact CG2-CD2 4.25Å; T257-I262 HydrophobicContact CG2-CD1 3.61Å; T257-I262 HydrophobicContact CG2-CG1 3.8Å
258N94.5Very high95.5Very high91 Ų9145.8 Ų45.849%0.48727%0.266SS..  trans-118.3168.4172.664.735.5000111.4A260 L261 I262N258-A260 VanDerWaalsContact C-N 3.29Å; N258-A260 PolarHBondContact O-N 2.85Å; N258-A260 PolarHBondContact OD1-N 3.42Å; N258-L261 PolarHBondContact O-N 2.7Å; N258-L261 VanDerWaalsContact O-N 3.11Å; N258-L261 PolarHBondContact OD1-N 2.97Å; N258-I262 PolarHBondContact O-N 2.92Å; N258-I262 VanDerWaalsContact O-N 3.16Å
259Q94.8Very high95.1Very high88 Ų8849.4 Ų49.441%0.41129%0.292SS..Hα-helixtrans-58.9-37.7-177.2-171.260.351.400113L261 I262 D263Q259-L261 VanDerWaalsContact C-N 3.28Å; Q259-L261 PolarHBondContact O-N 3.31Å; Q259-I262 WeakPolarHBondContact O-CB 3.44Å; Q259-I262 PolarHBondContact O-N 3.48Å; Q259-I262 VanDerWaalsContact O-N 3.15Å; Q259-D263 PolarHBondContact NE2-OD1 3.41Å; Q259-D263 PolarHBondContact O-N 3.33Å
260A96.1Very high94.9Very high69 Ų6958 Ų5857%0.5733%0.333SS*.Hα-helixtrans-62.3-36.9178.700000112.2N258 K264N258-A260 VanDerWaalsContact C-N 3.29Å; N258-A260 PolarHBondContact O-N 2.85Å; N258-A260 PolarHBondContact OD1-N 3.42Å; A260-K264 WeakPolarHBondContact O-CB 3.33Å; A260-K264 PolarHBondContact O-N 3.32Å; A260-K264 VanDerWaalsContact O-N 3.07Å
261L95.2Very high94.7Very high40 Ų4059.7 Ų59.721%0.20934%0.342CS..Hα-helixtrans-69.4-39.5175-177.660.5000111.8L235 Y236 T257 N258 Q259 K264 V265L235-L261 HydrophobicContact CD1-CD2 4.02Å; L235-L261 HydrophobicContact CD1-CG 3.75Å; L235-L261 HydrophobicContact CG-CD2 4.37Å; Y236-L261 HydrophobicContact CE2-CD2 4.24Å; T257-L261 HydrophobicContact CG2-CB 4.46Å; T257-L261 HydrophobicContact CG2-CD2 4.25Å; N258-L261 PolarHBondContact O-N 2.7Å; N258-L261 VanDerWaalsContact O-N 3.11Å; N258-L261 PolarHBondContact OD1-N 2.97Å; Q259-L261 VanDerWaalsContact C-N 3.28Å; Q259-L261 PolarHBondContact O-N 3.31Å; L261-K264 PolarHBondContact O-N 3.07Å; L261-V265 PolarHBondContact O-N 2.93Å; L261-V265 VanDerWaalsContact O-N 3.11Å
262I96.1Very high94.6Very high3 Ų366.3 Ų66.32%0.01537%0.373CS..Hα-helixtrans-57.7-49.5173.1-63.8-66.5000110.7L235 C251 L253 T257 N258 Q259 K264 V265 N266 P276 V279L235-I262 HydrophobicContact CD1-CD1 4.1Å; L235-I262 HydrophobicContact CD2-CD1 3.77Å; L235-I262 HydrophobicContact CG-CD1 4.46Å; C251-I262 HydrophobicContact CB-CD1 4.39Å; L253-I262 HydrophobicContact CD2-CG1 4.45Å; T257-I262 HydrophobicContact CG2-CD1 3.61Å; T257-I262 HydrophobicContact CG2-CG1 3.8Å; N258-I262 PolarHBondContact O-N 2.92Å; N258-I262 VanDerWaalsContact O-N 3.16Å; Q259-I262 WeakPolarHBondContact O-CB 3.44Å; Q259-I262 PolarHBondContact O-N 3.48Å; Q259-I262 VanDerWaalsContact O-N 3.15Å; I262-K264 VanDerWaalsContact C-N 3.29Å; I262-K264 PolarHBondContact O-N 3.48Å; I262-V265 VanDerWaalsContact O-CG2 3.25Å; I262-V265 WeakPolarHBondContact O-CG2 3.23Å; I262-V265 PolarHBondContact O-N 3.24Å; I262-N266 WeakPolarHBondContact CG2-ND2 3.28Å; I262-N266 WeakPolarHBondContact O-CB 3.3Å; I262-N266 VanDerWaalsContact O-CG 3.25Å; I262-N266 PolarHBondContact O-N 2.89Å; I262-N266 PolarHBondContact O-ND2 2.84Å; I262-P276 HydrophobicContact CD1-CG 3.67Å; I262-V279 HydrophobicContact CD1-CG2 3.99Å; I262-V279 HydrophobicContact CG1-CG2 4.41Å; I262-V279 HydrophobicContact CG2-CG2 4.08Å
263D95.7Very high94.6Very high79 Ų7969.8 Ų69.842%0.42239%0.391SS..Hα-helixtrans-61.9-41.3-178.6-62.2-20.9000110.6Q259 N266 C267Q259-D263 PolarHBondContact NE2-OD1 3.41Å; Q259-D263 PolarHBondContact O-N 3.33Å; D263-N266 PolarHBondContact O-N 3.4Å; D263-C267 PolarHBondContact O-N 3.28Å; D263-C267 VanDerWaalsContact O-N 3.16Å; D263-C267 PolarHBondContact O-SG 3.47Å; D263-C267 VanDerWaalsContact O-SG 3.35Å
264K95.4Very high94.6Very high136 Ų13670.1 Ų70.159%0.59139%0.39SS*.Hα-helixtrans-57.9-52.9176.3-176.3-175.4174.7-172.20112.5A260 L261 I262 N266 C267 S268A260-K264 WeakPolarHBondContact O-CB 3.33Å; A260-K264 PolarHBondContact O-N 3.32Å; A260-K264 VanDerWaalsContact O-N 3.07Å; L261-K264 PolarHBondContact O-N 3.07Å; I262-K264 VanDerWaalsContact C-N 3.29Å; I262-K264 PolarHBondContact O-N 3.48Å; K264-N266 VanDerWaalsContact C-N 3.28Å; K264-N266 PolarHBondContact O-N 3.42Å; K264-C267 PolarHBondContact O-N 3.5Å; K264-S268 PolarHBondContact O-N 3.22Å
265V95.7Very high94.6Very high1 Ų171.7 Ų71.71%0.00639%0.392CS..Hα-helixtrans-68.5-29.1-177.8-60.70000112.3L235 L261 I262 C267 S268 D271 F274 R275L235-V265 HydrophobicContact CD1-CB 4.47Å; L235-V265 HydrophobicContact CD1-CG1 3.9Å; L235-V265 HydrophobicContact CD1-CG2 3.74Å; L261-V265 PolarHBondContact O-N 2.93Å; L261-V265 VanDerWaalsContact O-N 3.11Å; I262-V265 VanDerWaalsContact O-CG2 3.25Å; I262-V265 WeakPolarHBondContact O-CG2 3.23Å; I262-V265 PolarHBondContact O-N 3.24Å; V265-C267 VanDerWaalsContact C-N 3.33Å; V265-S268 PolarHBondContact O-N 3.36Å; V265-D271 HydrophobicContact CB-CB 3.98Å; V265-D271 HydrophobicContact CG1-CB 4.22Å; V265-F274 HydrophobicContact CB-CB 4.49Å; V265-F274 HydrophobicContact CG1-CB 4.18Å; V265-R275 HydrophobicContact CB-CG 4.43Å; V265-R275 HydrophobicContact CG2-CG 4.27Å; V265-R275 WeakPolarHBondContact O-CG 3.41Å; V265-R275 PolarHBondContact O-NE 2.96Å
266N93.1Very high94.7Very high73 Ų7370.7 Ų70.739%0.3938%0.38SS..Hα-helixtrans-70.1-29.9177.1-75.8-23.3000112.7I262 D263 K264 R275I262-N266 WeakPolarHBondContact CG2-ND2 3.28Å; I262-N266 WeakPolarHBondContact O-CB 3.3Å; I262-N266 VanDerWaalsContact O-CG 3.25Å; I262-N266 PolarHBondContact O-N 2.89Å; I262-N266 PolarHBondContact O-ND2 2.84Å; D263-N266 PolarHBondContact O-N 3.4Å; K264-N266 VanDerWaalsContact C-N 3.28Å; K264-N266 PolarHBondContact O-N 3.42Å; N266-R275 PolarHBondContact O-NH2 3.22Å
267C92.7Very high94.8Very high111 Ų11171 Ų7175%0.7537%0.374SS*.Hα-helixtrans-83.3-12178.4-68.90000114.4D263 K264 V265D263-C267 PolarHBondContact O-N 3.28Å; D263-C267 VanDerWaalsContact O-N 3.16Å; D263-C267 PolarHBondContact O-SG 3.47Å; D263-C267 VanDerWaalsContact O-SG 3.35Å; K264-C267 PolarHBondContact O-N 3.5Å; V265-C267 VanDerWaalsContact C-N 3.33Å
268S91.1Very high94.9Very high34 Ų3472.4 Ų72.424%0.23838%0.379CS..  trans-109.7110-172.9172.10000111.3K264 V265 E270 D271 R275K264-S268 PolarHBondContact O-N 3.22Å; V265-S268 PolarHBondContact O-N 3.36Å; S268-E270 PolarHBondContact O-N 3.35Å; S268-D271 WeakPolarHBondContact CB-OD2 3.19Å; S268-D271 PolarHBondContact O-N 2.77Å; S268-D271 PolarHBondContact OG-OD2 3.25Å; S268-R275 PolarHBondContact O-NH2 2.99Å
269P89.3Confident95Very high106 Ų10669.9 Ų69.969%0.68837%0.367SS*.G310 helixtrans-55-33.2178.9-27.436.1000114.1D271 E272P269-D271 PolarHBondContact O-N 2.81Å; P269-E272 PolarHBondContact O-N 3.49Å
270E93.8Very high95.1Very high181 Ų18166.5 Ų66.585%0.84635%0.351SS*.G310 helixtrans-70.2-18.4-179.9-56.3-164.1-158.900113S268S268-E270 PolarHBondContact O-N 3.35Å
271D94.6Very high95.1Very high35 Ų3569 Ų6919%0.18735%0.351CS..G310 helixtrans-93.916.1180-65.9-48.9000113.1V265 S268 P269 L273 F274 R275V265-D271 HydrophobicContact CB-CB 3.98Å; V265-D271 HydrophobicContact CG1-CB 4.22Å; S268-D271 WeakPolarHBondContact CB-OD2 3.19Å; S268-D271 PolarHBondContact O-N 2.77Å; S268-D271 PolarHBondContact OG-OD2 3.25Å; P269-D271 PolarHBondContact O-N 2.81Å; D271-L273 PolarHBondContact O-N 3.05Å; D271-L273 VanDerWaalsContact O-N 3.13Å; D271-F274 HydrophobicContact CB-CD2 3.97Å; D271-F274 PolarHBondContact O-N 3.09Å; D271-R275 PolarHBondContact O-N 2.99Å
272E95.3Very high95.2Very high140 Ų14067.9 Ų67.965%0.65435%0.346SS*.G310 helixtrans-50.8-40.2-178.9-176.6176.8-163.800112.6P269 F274 R275P269-E272 PolarHBondContact O-N 3.49Å; E272-F274 PolarHBondContact O-N 2.93Å; E272-R275 PolarHBondContact O-N 2.9Å
273L97.1Very high95.3Very high72 Ų7267.7 Ų67.738%0.37735%0.346SS..G310 helixtrans-59.6-28.2178.1-174.663000113A240 N243 K244 D271A240-L273 WeakPolarHBondContact CA-O 3.34Å; A240-L273 HydrophobicContact CB-CD2 4.46Å; A240-L273 HydrophobicContact CB-CG 4.2Å; N243-L273 HydrophobicContact CB-CD1 4.07Å; N243-L273 WeakPolarHBondContact CB-O 3.4Å; N243-L273 PolarHBondContact ND2-O 3.09Å; K244-L273 HydrophobicContact CB-CD1 4.02Å; D271-L273 PolarHBondContact O-N 3.05Å; D271-L273 VanDerWaalsContact O-N 3.13Å
274F97.8Very high95.4Very high46 Ų4665.4 Ų65.420%0.20233%0.334CS..G310 helixtrans-96.7-1.5-174.6-50.5-57.1000113.4L235 Y236 A240 V265 D271 E272 P276L235-F274 HydrophobicContact CB-CB 4.34Å; Y236-F274 AromaticContact CD1-CD1 3.67Å; Y236-F274 HydrophobicContact CD1-CD1 3.67Å; Y236-F274 HydrophobicContact CD1-CD2 4.24Å; Y236-F274 AromaticContact CD1-CE1 3.73Å; Y236-F274 HydrophobicContact CD1-CE1 3.73Å; Y236-F274 HydrophobicContact CD1-CE2 4.29Å; Y236-F274 AromaticContact CD1-CG 3.95Å; Y236-F274 HydrophobicContact CD1-CG 3.95Å; Y236-F274 HydrophobicContact CD1-CZ 4.05Å; Y236-F274 HydrophobicContact CE1-CD1 4.3Å; Y236-F274 HydrophobicContact CE1-CD2 4.12Å; Y236-F274 HydrophobicContact CE1-CE2 4.33Å; Y236-F274 HydrophobicContact CE1-CG 4.11Å; Y236-F274 HydrophobicContact CG-CD1 4.45Å; A240-F274 HydrophobicContact CB-CD1 3.9Å; A240-F274 HydrophobicContact CB-CE1 3.97Å; V265-F274 HydrophobicContact CB-CB 4.49Å; V265-F274 HydrophobicContact CG1-CB 4.18Å; D271-F274 HydrophobicContact CB-CD2 3.97Å; D271-F274 PolarHBondContact O-N 3.09Å; E272-F274 PolarHBondContact O-N 2.93Å; F274-P276 WeakPolarHBondContact O-CD 3.46Å
275R97.4Very high95.5Very high71 Ų7161.1 Ų61.127%0.26832%0.318SS..  trans-81.3119.4-178.8-65.2178.9-171.5170.4-5.9111.5N243 V265 N266 S268 D271 E272N243-R275 PolarHBondContact ND2-O 2.92Å; V265-R275 HydrophobicContact CB-CG 4.43Å; V265-R275 HydrophobicContact CG2-CG 4.27Å; V265-R275 WeakPolarHBondContact O-CG 3.41Å; V265-R275 PolarHBondContact O-NE 2.96Å; N266-R275 PolarHBondContact O-NH2 3.22Å; S268-R275 PolarHBondContact O-NH2 2.99Å; D271-R275 PolarHBondContact O-N 2.99Å; E272-R275 PolarHBondContact O-N 2.9Å
276P96.4Very high95.6Very high13 Ų1361 Ų618%0.08432%0.318CS..  trans-73.9141.1174.429.2-31.9000110.8L235 I239 C251 I262 F274 Y278 V279L235-P276 HydrophobicContact CD2-CG 4.18Å; I239-P276 HydrophobicContact CD1-CB 4.05Å; I239-P276 HydrophobicContact CG1-CB 4.18Å; I239-P276 HydrophobicContact CG2-CB 3.88Å; C251-P276 HydrophobicContact CB-CB 3.61Å; C251-P276 HydrophobicContact CB-CG 3.77Å; I262-P276 HydrophobicContact CD1-CG 3.67Å; F274-P276 WeakPolarHBondContact O-CD 3.46Å; P276-Y278 VanDerWaalsContact C-N 3.26Å; P276-Y278 PolarHBondContact O-N 3.02Å; P276-V279 HydrophobicContact CB-CG2 4.36Å; P276-V279 HydrophobicContact CG-CG2 3.64Å
277K95.5Very high95.8Very high100 Ų10057.8 Ų57.844%0.43530%0.3SS..SBendtrans-66.1-32.7174.3-69.8177.5-178.2166.60111.8L247 T249L247-K277 PolarHBondContact O-NZ 2.92Å; T249-K277 PolarHBondContact O-N 3.48Å; T249-K277 PolarHBondContact OG1-N 3.38Å
278Y96.1Very high95.9Very high31 Ų3156.2 Ų56.212%0.12228%0.284CS..EExtended strand (participates in β ladder)trans-138.5147.1176.7-48.5-75.4000110.9V4 A5 V8 T249 I250 C251 P276V4-Y278 HydrophobicContact CB-CE1 3.97Å; V4-Y278 HydrophobicContact CG1-CE1 3.71Å; V4-Y278 VanDerWaalsContact CG1-OH 3.27Å; V4-Y278 WeakPolarHBondContact CG1-OH 3.32Å; A5-Y278 HydrophobicContact CB-CD1 3.85Å; A5-Y278 HydrophobicContact CB-CE1 4.3Å; A5-Y278 HydrophobicContact CB-CG 4.14Å; V8-Y278 HydrophobicContact CB-CE2 4.12Å; V8-Y278 HydrophobicContact CG1-CE2 4.12Å; V8-Y278 HydrophobicContact CG2-CE2 3.86Å; V8-Y278 WeakPolarHBondContact CG2-OH 3.25Å; T249-Y278 WeakPolarHBondContact O-CD2 3.3Å; T249-Y278 PolarHBondContact O-N 3.35Å; T249-Y278 VanDerWaalsContact O-N 3.11Å; I250-Y278 CarbonylContact C-O 3.32Å; I250-Y278 WeakPolarHBondContact CA-O 3.14Å; I250-Y278 HydrophobicContact CG1-CD2 4.07Å; C251-Y278 PolarHBondContact N-O 3.5Å; P276-Y278 VanDerWaalsContact C-N 3.26Å; P276-Y278 PolarHBondContact O-N 3.02Å
279V96.4Very high96.1Very high38 Ų3855 Ų5523%0.2328%0.275CS..EExtended strand (participates in β ladder)trans-123.2129173.1-176.20000108.2C251 L253 I262 P276C251-V279 HydrophobicContact CB-CG2 4.42Å; C251-V279 CarbonylContact O-C 3.26Å; C251-V279 WeakPolarHBondContact O-CA 3.06Å; L253-V279 HydrophobicContact CD1-CG1 4.18Å; L253-V279 HydrophobicContact CD2-CG1 3.9Å; L253-V279 HydrophobicContact CG-CG1 3.99Å; I262-V279 HydrophobicContact CD1-CG2 3.99Å; I262-V279 HydrophobicContact CG1-CG2 4.41Å; I262-V279 HydrophobicContact CG2-CG2 4.08Å; P276-V279 HydrophobicContact CB-CG2 4.36Å; P276-V279 HydrophobicContact CG-CG2 3.64Å
280L96.2Very high96.4Very high17 Ų1751.3 Ų51.39%0.08925%0.249CC..EExtended strand (participates in β ladder)trans-127.3159.2177.6-62.5179.5000109.4I250 C251 V252 L253 D285 I286 I289I250-L280 HydrophobicContact CG2-CB 4.39Å; I250-L280 HydrophobicContact CG2-CD1 3.78Å; I250-L280 HydrophobicContact CG2-CG 3.99Å; C251-L280 PolarHBondContact O-N 3.29Å; V252-L280 WeakPolarHBondContact CA-O 3.33Å; L253-L280 PolarHBondContact N-O 3.19Å; L253-L280 VanDerWaalsContact N-O 3.17Å; L280-D285 HydrophobicContact CB-CB 4.08Å; L280-D285 HydrophobicContact CD1-CB 4.07Å; L280-D285 HydrophobicContact CD2-CB 4.19Å; L280-D285 HydrophobicContact CG-CB 4.34Å; L280-I286 HydrophobicContact CD1-CD1 4.4Å; L280-I286 HydrophobicContact CD1-CG1 3.49Å; L280-I286 VanDerWaalsContact CD1-CG1 3.49Å; L280-I289 HydrophobicContact CD1-CD1 4.32Å; L280-I289 HydrophobicContact CD2-CD1 4.23Å
281Q96.6Very high96.2Very high123 Ų12349 Ų4958%0.57524%0.237SC*.SBendtrans-69.3-43.4177.5-64.5-59.7-47.100110.3L253 D285L253-Q281 PolarHBondContact N-O 3.35Å; Q281-D285 WeakPolarHBondContact CA-OD2 3.46Å; Q281-D285 WeakPolarHBondContact CB-OD2 3.41Å; Q281-D285 PolarHBondContact N-OD2 2.94Å
282S97.5Very high95.8Very high15 Ų1555.4 Ų55.411%0.10527%0.265CS..  trans-158178179.976.80000112.5T254 T284 D285T254-S282 VanDerWaalsContact CG2-CB 3.49Å; S282-T284 PolarHBondContact O-N 3.29Å; S282-T284 WeakPolarHBondContact OG-CB 3.49Å; S282-T284 PolarHBondContact OG-N 2.92Å; S282-T284 PolarHBondContact OG-OG1 3.4Å; S282-T284 VanDerWaalsContact OG-OG1 3.06Å; S282-D285 PolarHBondContact N-OD2 2.98Å; S282-D285 WeakPolarHBondContact O-CB 3.41Å; S282-D285 PolarHBondContact O-N 2.93Å; S282-D285 VanDerWaalsContact O-N 3.14Å
283V98Very high95.9Very high0 Ų051.2 Ų51.20%025%0.246CC..Hα-helixtrans-62.4-16.1168.8-63.40000113.5F17 V22 I30 A33 L36 V231 V252 D285 I286 L287F17-V283 HydrophobicContact CE1-CG1 4.46Å; V22-V283 HydrophobicContact CG1-CG1 3.81Å; I30-V283 HydrophobicContact CB-CG2 4.31Å; I30-V283 HydrophobicContact CG2-CG2 3.75Å; A33-V283 HydrophobicContact CB-CG2 3.98Å; L36-V283 HydrophobicContact CD2-CB 3.75Å; L36-V283 HydrophobicContact CD2-CG1 4.31Å; V231-V283 HydrophobicContact CG1-CG1 4.4Å; V252-V283 HydrophobicContact CG1-CG1 4.43Å; V283-D285 VanDerWaalsContact C-N 3.31Å; V283-D285 PolarHBondContact O-N 2.87Å; V283-I286 HydrophobicContact CG1-CD1 4.38Å; V283-I286 WeakPolarHBondContact O-CB 3Å; V283-I286 PolarHBondContact O-N 3.09Å; V283-L287 PolarHBondContact O-N 3.49Å
284T97.9Very high95.8Very high30 Ų3050.1 Ų50.118%0.18424%0.239CC..Hα-helixtrans-59.8-42.2170.4-53.70000111.3P31 S32 S282 I286 L287 N288P31-T284 PolarHBondContact O-OG1 3.06Å; S32-T284 WeakPolarHBondContact OG-CG2 3.45Å; S32-T284 PolarHBondContact OG-OG1 3.33Å; S282-T284 PolarHBondContact O-N 3.29Å; S282-T284 WeakPolarHBondContact OG-CB 3.49Å; S282-T284 PolarHBondContact OG-N 2.92Å; S282-T284 PolarHBondContact OG-OG1 3.4Å; S282-T284 VanDerWaalsContact OG-OG1 3.06Å; T284-I286 VanDerWaalsContact C-N 3.29Å; T284-I286 PolarHBondContact O-N 3.39Å; T284-L287 PolarHBondContact O-N 2.82Å; T284-N288 PolarHBondContact O-N 2.88Å; T284-N288 PolarHBondContact O-ND2 3.3Å
285D96.7Very high95.7Very high46 Ų4650.3 Ų50.325%0.24624%0.241CC..Hα-helixtrans-63.8-38.4-179.8-61.8-29.7000111.1L280 Q281 S282 V283 L287 N288 I289L280-D285 HydrophobicContact CB-CB 4.08Å; L280-D285 HydrophobicContact CD1-CB 4.07Å; L280-D285 HydrophobicContact CD2-CB 4.19Å; L280-D285 HydrophobicContact CG-CB 4.34Å; Q281-D285 WeakPolarHBondContact CA-OD2 3.46Å; Q281-D285 WeakPolarHBondContact CB-OD2 3.41Å; Q281-D285 PolarHBondContact N-OD2 2.94Å; S282-D285 PolarHBondContact N-OD2 2.98Å; S282-D285 WeakPolarHBondContact O-CB 3.41Å; S282-D285 PolarHBondContact O-N 2.93Å; S282-D285 VanDerWaalsContact O-N 3.14Å; V283-D285 VanDerWaalsContact C-N 3.31Å; V283-D285 PolarHBondContact O-N 2.87Å; D285-L287 VanDerWaalsContact C-N 3.34Å; D285-L287 PolarHBondContact O-N 3.03Å; D285-N288 PolarHBondContact O-N 3.19Å; D285-I289 WeakPolarHBondContact O-CB 3.44Å; D285-I289 WeakPolarHBondContact O-CD1 3.22Å; D285-I289 WeakPolarHBondContact O-CG1 3.2Å; D285-I289 PolarHBondContact O-N 3.21Å
286I97.3Very high95.6Very high0 Ų049.1 Ų49.10%024%0.24CC..Hα-helixtrans-59.7-46.9176-58.6177.1000110.2L9 F17 L36 V231 I250 L280 V283 T284 N288 I289 L290L9-I286 HydrophobicContact CD1-CG2 4.08Å; L9-I286 HydrophobicContact CD2-CG2 3.8Å; F17-I286 HydrophobicContact CE1-CD1 4.42Å; L36-I286 HydrophobicContact CD1-CB 4.43Å; L36-I286 HydrophobicContact CD1-CG2 3.87Å; L36-I286 HydrophobicContact CD2-CB 4.15Å; L36-I286 HydrophobicContact CD2-CG2 4.11Å; V231-I286 HydrophobicContact CG1-CD1 3.71Å; V231-I286 HydrophobicContact CG2-CD1 3.99Å; I250-I286 HydrophobicContact CD1-CD1 4.45Å; I250-I286 HydrophobicContact CG2-CD1 4.37Å; L280-I286 HydrophobicContact CD1-CD1 4.4Å; L280-I286 HydrophobicContact CD1-CG1 3.49Å; L280-I286 VanDerWaalsContact CD1-CG1 3.49Å; V283-I286 HydrophobicContact CG1-CD1 4.38Å; V283-I286 WeakPolarHBondContact O-CB 3Å; V283-I286 PolarHBondContact O-N 3.09Å; T284-I286 VanDerWaalsContact C-N 3.29Å; T284-I286 PolarHBondContact O-N 3.39Å; I286-N288 VanDerWaalsContact C-N 3.35Å; I286-N288 PolarHBondContact O-N 2.9Å; I286-I289 PolarHBondContact O-N 3.39Å; I286-L290 HydrophobicContact CG2-CD1 3.95Å; I286-L290 WeakPolarHBondContact O-CB 3.27Å; I286-L290 WeakPolarHBondContact O-CG 3.27Å; I286-L290 PolarHBondContact O-N 2.94Å
287L97.2Very high95.5Very high5 Ų551.4 Ų51.43%0.02625%0.249CC..Hα-helixtrans-63.1-41.3178.5-178.258.5000112.1A35 L36 H39 V283 T284 D285 L290 K291A35-L287 HydrophobicContact CB-CD2 3.65Å; L36-L287 HydrophobicContact CB-CB 4.3Å; L36-L287 HydrophobicContact CD1-CB 4.18Å; L36-L287 HydrophobicContact CD1-CD1 4.33Å; H39-L287 HydrophobicContact CB-CD1 3.86Å; V283-L287 PolarHBondContact O-N 3.49Å; T284-L287 PolarHBondContact O-N 2.82Å; D285-L287 VanDerWaalsContact C-N 3.34Å; D285-L287 PolarHBondContact O-N 3.03Å; L287-L290 PolarHBondContact O-N 3.33Å; L287-K291 HydrophobicContact CD1-CD 4.21Å; L287-K291 HydrophobicContact CD1-CG 4.33Å; L287-K291 HydrophobicContact CG-CD 4.21Å; L287-K291 WeakPolarHBondContact O-CG 3.14Å; L287-K291 PolarHBondContact O-N 2.92Å
288N96.1Very high95.5Very high78 Ų7848.1 Ų48.142%0.41724%0.237SC..Hα-helixtrans-62.7-48.3178.4-68.2-19000110.6T284 D285 I286 L290 K291 E292T284-N288 PolarHBondContact O-N 2.88Å; T284-N288 PolarHBondContact O-ND2 3.3Å; D285-N288 PolarHBondContact O-N 3.19Å; I286-N288 VanDerWaalsContact C-N 3.35Å; I286-N288 PolarHBondContact O-N 2.9Å; N288-L290 VanDerWaalsContact C-N 3.29Å; N288-L290 PolarHBondContact O-N 3.05Å; N288-K291 PolarHBondContact O-N 2.84Å; N288-E292 PolarHBondContact O-N 2.81Å
289I95.1Very high95.5Very high9 Ų949.4 Ų49.45%0.04625%0.245CC..Hα-helixtrans-61-36.1178.8-67163.6000112.4S6 L9 L280 D285 I286 K291S6-I289 VanDerWaalsContact CA-CG2 3.44Å; L9-I289 HydrophobicContact CD1-CB 4.07Å; L9-I289 HydrophobicContact CD1-CD1 4.25Å; L9-I289 HydrophobicContact CD1-CG2 3.74Å; L280-I289 HydrophobicContact CD1-CD1 4.32Å; L280-I289 HydrophobicContact CD2-CD1 4.23Å; D285-I289 WeakPolarHBondContact O-CB 3.44Å; D285-I289 WeakPolarHBondContact O-CD1 3.22Å; D285-I289 WeakPolarHBondContact O-CG1 3.2Å; D285-I289 PolarHBondContact O-N 3.21Å; I286-I289 PolarHBondContact O-N 3.39Å; I289-K291 VanDerWaalsContact C-N 3.32Å
290L94.9Very high95.4Very high27 Ų2750.2 Ų50.214%0.14125%0.246CC..Hα-helixtrans-74.6-19.7177.8-74.7172.5000113.7L9 L36 L40 I286 L287 N288L9-L290 HydrophobicContact CB-CD2 3.88Å; L9-L290 HydrophobicContact CB-CG 4.44Å; L36-L290 HydrophobicContact CD1-CD1 3.9Å; L40-L290 HydrophobicContact CD2-CD1 3.79Å; I286-L290 HydrophobicContact CG2-CD1 3.95Å; I286-L290 WeakPolarHBondContact O-CB 3.27Å; I286-L290 WeakPolarHBondContact O-CG 3.27Å; I286-L290 PolarHBondContact O-N 2.94Å; L287-L290 PolarHBondContact O-N 3.33Å; N288-L290 VanDerWaalsContact C-N 3.29Å; N288-L290 PolarHBondContact O-N 3.05Å
291K91.1Very high95.4Very high134 Ų13453 Ų5358%0.58326%0.259SS*.Hα-helixtrans-92.3-20.2178.9-77.3179.8175.3179.80113.9L287 N288 I289L287-K291 HydrophobicContact CD1-CD 4.21Å; L287-K291 HydrophobicContact CD1-CG 4.33Å; L287-K291 HydrophobicContact CG-CD 4.21Å; L287-K291 WeakPolarHBondContact O-CG 3.14Å; L287-K291 PolarHBondContact O-N 2.92Å; N288-K291 PolarHBondContact O-N 2.84Å; I289-K291 VanDerWaalsContact C-N 3.32Å
292E86Confident95.3Very high169 Ų16946.6 Ų46.679%0.7923%0.231SC*.  trans-64.40170-70.7174.5-17300112.3R10 N288R10-E292 PolarHBondContact NH1-OXT 2.98Å; R10-E292 PolarHBondContact NH2-OXT 3.48Å; N288-E292 PolarHBondContact O-N 2.81Å

Retrieved 292 of 292 residues in 263.4 ms (Link to these results)

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