A0A077Z3Z8_TRITR Loading...

tRNA-queuosine alpha-mannosyltransferase

AlphaFold DB , UniProt , Accession A0A077Z3Z8, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 247 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
1M39.2Very low74.6Confident242 Ų24296.5 Ų96.5100%1.19252%0.522SS*.  0110.10-70.9177.6171.300107.2S3M1-S3 PolarHBondContact O-N 3.29Å
2S49.3Very low76.6Confident122 Ų12288.5 Ų88.585%0.85348%0.479SS*.  trans-65.2105172.3175.10000106.8A4S2-A4 PolarHBondContact O-N 2.82Å
3S54.7Low78.3Confident98 Ų9881.9 Ų81.969%0.68544%0.443SS*.PPolyproline II helixtrans-59.6116.1169.864.30000105.8M1 R5M1-S3 PolarHBondContact O-N 3.29Å; S3-R5 PolarHBondContact O-N 3.12Å
4A60.5Low79.7Confident92 Ų9276.1 Ų76.176%0.7641%0.411SS*.PPolyproline II helixtrans-50.1116175.500000107.6S2 Q6S2-A4 PolarHBondContact O-N 2.82Å; A4-Q6 PolarHBondContact O-N 2.99Å
5R66.2Low80.9Confident160 Ų16073.6 Ų73.660%0.60440%0.395SS*.PPolyproline II helixtrans-57.6117.9-178.9-73.4-172.9-171.4-172.24.3107.1S3 K7 V66S3-R5 PolarHBondContact O-N 3.12Å; R5-K7 PolarHBondContact O-N 3.2Å; R5-K7 VanDerWaalsContact O-N 3.12Å; R5-V66 HydrophobicContact CB-CG2 4.23Å
6Q72.8Confident81.9Confident120 Ų12070.6 Ų70.656%0.56138%0.382SS*.PPolyproline II helixtrans-60.2119179.9-174.3171.75.900108A4 N34A4-Q6 PolarHBondContact O-N 2.99Å; Q6-N34 PolarHBondContact NE2-O 3.14Å
7K87.7Confident82.6Confident145 Ų14568.4 Ų68.463%0.6337%0.373SS*.EExtended strand (participates in β ladder)trans-77.7134.1176.4-60.7-175.4176.5-1790108.4R5 V66 H68R5-K7 PolarHBondContact O-N 3.2Å; R5-K7 VanDerWaalsContact O-N 3.12Å; K7-V66 WeakPolarHBondContact CA-O 3.24Å; K7-H68 HydrophobicContact CB-CB 4.44Å
8K95.8Very high83Confident35 Ų3566.1 Ų66.115%0.15237%0.367CS..EExtended strand (participates in β ladder)trans-126.2164.3-177.8-66.3-178.9177.3-178.70112.7N34 S35 D37 V66 Y67 H68K8-N34 WeakPolarHBondContact CE-O 3.47Å; K8-S35 WeakPolarHBondContact CA-O 3.12Å; K8-D37 WeakPolarHBondContact CD-OD2 3.26Å; K8-D37 VanDerWaalsContact NZ-CG 3.31Å; K8-D37 IonicContact NZ-OD1 2.7Å; K8-D37 PolarHBondContact NZ-OD1 3.08Å; K8-D37 IonicContact NZ-OD2 3.15Å; K8-D37 PolarHBondContact NZ-OD2 3.11Å; K8-V66 PolarHBondContact N-O 3.05Å; K8-V66 VanDerWaalsContact N-O 3.16Å; K8-Y67 HydrophobicContact CB-CD1 3.99Å; K8-Y67 HydrophobicContact CB-CE1 4.12Å; K8-Y67 VanDerWaalsContact O-CA 3.29Å; K8-Y67 WeakPolarHBondContact O-CA 3.36Å; K8-H68 VanDerWaalsContact C-CD2 3.48Å; K8-H68 PolarHBondContact O-CD2 3.46Å; K8-H68 VanDerWaalsContact O-CD2 3.23Å; K8-H68 PolarHBondContact O-N 3.4Å
9C97.4Very high83.5Confident37 Ų3764.8 Ų64.825%0.2536%0.363CS..EExtended strand (participates in β ladder)trans-85.1137.8160.2-690000110.4I11 S35 M36 D37 H68C9-I11 HydrophobicContact CB-CD1 4.49Å; C9-S35 PolarHBondContact N-O 2.92Å; C9-M36 HydrophobicContact CB-CB 4.05Å; C9-M36 CarbonylContact O-C 3.51Å; C9-M36 WeakPolarHBondContact O-CA 3.28Å; C9-D37 PolarHBondContact O-N 3.49Å; C9-H68 PolarHBondContact SG-CE1 3.41Å
10L98.2Very high84.2Confident0 Ų062.1 Ų62.10%035%0.347CS..EExtended strand (participates in β ladder)trans-104.6121.4169.9-178.160.3000109.4L12 D37 L39 I61 Y67 T69 V70 F71 L88L10-L12 HydrophobicContact CD1-CD2 3.87Å; L10-L12 HydrophobicContact CD1-CG 4.46Å; L10-L12 HydrophobicContact CD2-CD1 4.04Å; L10-L12 HydrophobicContact CD2-CD2 4.05Å; L10-L12 HydrophobicContact CD2-CG 4.17Å; L10-L12 HydrophobicContact CG-CD1 4.31Å; L10-L12 HydrophobicContact CG-CD2 3.82Å; L10-L12 HydrophobicContact CG-CG 3.91Å; L10-D37 HydrophobicContact CD1-CB 4.27Å; L10-L39 HydrophobicContact CD1-CD1 4.11Å; L10-L39 HydrophobicContact CD1-CG 4.24Å; L10-I61 HydrophobicContact CD2-CD1 3.72Å; L10-I61 HydrophobicContact CD2-CG1 3.94Å; L10-I61 HydrophobicContact CD2-CG2 4.28Å; L10-Y67 HydrophobicContact CB-CD1 3.53Å; L10-Y67 HydrophobicContact CB-CD2 4.34Å; L10-Y67 HydrophobicContact CB-CE1 3.83Å; L10-Y67 HydrophobicContact CB-CG 3.78Å; L10-Y67 HydrophobicContact CD1-CE1 4.01Å; L10-Y67 HydrophobicContact CD1-CE2 4.49Å; L10-Y67 HydrophobicContact CD2-CD2 4.16Å; L10-Y67 HydrophobicContact CD2-CE2 4.22Å; L10-Y67 HydrophobicContact CD2-CG 4.4Å; L10-Y67 HydrophobicContact CG-CD1 4.47Å; L10-Y67 HydrophobicContact CG-CE1 4.38Å; L10-T69 PolarHBondContact N-O 3.09Å; L10-V70 HydrophobicContact CB-CG2 4.34Å; L10-V70 HydrophobicContact CD2-CG2 4.35Å; L10-V70 CarbonylContact O-C 3.58Å; L10-V70 WeakPolarHBondContact O-CA 3.48Å; L10-F71 PolarHBondContact O-N 3.45Å; L10-L88 HydrophobicContact CD2-CD1 4.4Å; L10-L88 HydrophobicContact CD2-CD2 4.1Å
11I98.5Very high84.7Confident10 Ų1061 Ų615%0.05134%0.344CS..EExtended strand (participates in β ladder)trans-107.8124.9174.8-48.1-55.8000108.9C9 I24 F27 M36 D37 I38 L39 F71C9-I11 HydrophobicContact CB-CD1 4.49Å; I11-I24 HydrophobicContact CG2-CD1 3.77Å; I11-F27 HydrophobicContact CG2-CD2 3.91Å; I11-F27 HydrophobicContact CG2-CE2 3.99Å; I11-M36 HydrophobicContact CB-CE 4.47Å; I11-M36 HydrophobicContact CD1-CE 4.18Å; I11-M36 HydrophobicContact CG1-CE 3.35Å; I11-D37 PolarHBondContact N-O 2.88Å; I11-I38 HydrophobicContact CB-CB 4.44Å; I11-I38 HydrophobicContact CB-CG1 4.11Å; I11-I38 HydrophobicContact CB-CG2 4.29Å; I11-I38 HydrophobicContact CG1-CG1 4.23Å; I11-I38 HydrophobicContact CG2-CG2 4.41Å; I11-I38 WeakPolarHBondContact O-CA 3.19Å; I11-L39 PolarHBondContact O-N 3.48Å; I11-F71 CarbonylContact C-O 3.21Å; I11-F71 WeakPolarHBondContact CA-O 3.46Å; I11-F71 HydrophobicContact CD1-CB 3.59Å; I11-F71 HydrophobicContact CD1-CD1 4.34Å; I11-F71 HydrophobicContact CD1-CG 4.18Å; I11-F71 HydrophobicContact CG2-CD1 4.02Å
12L98.8Very high87.3Confident1 Ų155 Ų551%0.00531%0.313CS..EExtended strand (participates in β ladder)trans-122121.6-176.9-58.3173.4000110.9L10 L39 F57 I61 V70 F71 C72 S73 L76 L81L10-L12 HydrophobicContact CD1-CD2 3.87Å; L10-L12 HydrophobicContact CD1-CG 4.46Å; L10-L12 HydrophobicContact CD2-CD1 4.04Å; L10-L12 HydrophobicContact CD2-CD2 4.05Å; L10-L12 HydrophobicContact CD2-CG 4.17Å; L10-L12 HydrophobicContact CG-CD1 4.31Å; L10-L12 HydrophobicContact CG-CD2 3.82Å; L10-L12 HydrophobicContact CG-CG 3.91Å; L12-L39 WeakPolarHBondContact CA-O 3.11Å; L12-L39 HydrophobicContact CD2-CB 3.78Å; L12-L39 HydrophobicContact CD2-CD1 3.94Å; L12-L39 HydrophobicContact CD2-CG 4.15Å; L12-F57 HydrophobicContact CB-CD2 4.33Å; L12-F57 HydrophobicContact CB-CE2 4.19Å; L12-F57 HydrophobicContact CD2-CB 4.49Å; L12-F57 HydrophobicContact CD2-CD1 4.25Å; L12-F57 HydrophobicContact CD2-CD2 4.29Å; L12-F57 HydrophobicContact CD2-CG 4.12Å; L12-I61 HydrophobicContact CD1-CD1 4.48Å; L12-V70 HydrophobicContact CD1-CG1 4.05Å; L12-F71 PolarHBondContact N-O 3.1Å; L12-C72 HydrophobicContact CB-CB 3.99Å; L12-C72 VanDerWaalsContact O-CA 3.28Å; L12-C72 WeakPolarHBondContact O-CA 3.32Å; L12-S73 PolarHBondContact O-N 3.42Å; L12-L76 HydrophobicContact CB-CD2 3.96Å; L12-L76 HydrophobicContact CD1-CD2 3.73Å; L12-L81 HydrophobicContact CD1-CD2 3.2Å
13E98.6Very high89.5Confident3 Ų349.7 Ų49.71%0.01428%0.275CS..EExtended strand (participates in β ladder)trans-127.395.9177.8-178.650-97.800111.8F15 C16 H20 I24 L39 T40 L41 S73E13-F15 PolarHBondContact O-N 3.35Å; E13-F15 WeakPolarHBondContact OE1-CA 3.43Å; E13-F15 PolarHBondContact OE1-N 2.81Å; E13-C16 HydrophobicContact CG-CB 3.95Å; E13-H20 HydrophobicContact CG-CB 4.08Å; E13-H20 IonicContact OE1-ND1 2.81Å; E13-H20 PolarHBondContact OE1-ND1 2.82Å; E13-H20 IonicContact OE2-CE1 3.11Å; E13-H20 IonicContact OE2-CG 2.71Å; E13-H20 IonicContact OE2-ND1 3.12Å; E13-H20 PolarHBondContact OE2-ND1 3.11Å; E13-I24 HydrophobicContact CB-CD1 3.78Å; E13-I24 HydrophobicContact CB-CG1 4.02Å; E13-I24 HydrophobicContact CG-CD1 4.45Å; E13-I24 HydrophobicContact CG-CG1 4.18Å; E13-L39 PolarHBondContact N-O 3.42Å; E13-T40 HydrophobicContact CB-CG2 3.91Å; E13-T40 CarbonylContact O-C 3.5Å; E13-T40 VanDerWaalsContact O-CA 3.24Å; E13-T40 WeakPolarHBondContact O-CA 3.32Å; E13-L41 PolarHBondContact O-N 3.35Å; E13-S73 PolarHBondContact OE1-OG 3Å; E13-S73 WeakPolarHBondContact OE2-CB 3.43Å; E13-S73 PolarHBondContact OE2-OG 3.47Å; E13-S73 VanDerWaalsContact OE2-OG 3.07Å
14P98.4Very high91.5Very high0 Ų045.1 Ų45.10%024%0.243CC..EExtended strand (participates in β ladder)trans-60.4-24.6175.4-22.931.7000114.9L41 R49 A53 F57 V75 L76P14-L41 WeakPolarHBondContact O-CB 3.43Å; P14-R49 HydrophobicContact CB-CB 3.98Å; P14-R49 WeakPolarHBondContact O-CB 3.46Å; P14-R49 WeakPolarHBondContact O-CD 3.49Å; P14-R49 WeakPolarHBondContact O-CG 3.39Å; P14-A53 HydrophobicContact CB-CB 3.58Å; P14-A53 HydrophobicContact CG-CB 3.85Å; P14-F57 HydrophobicContact CB-CE2 4.43Å; P14-F57 HydrophobicContact CG-CE2 3.96Å; P14-V75 HydrophobicContact CB-CB 4.24Å; P14-V75 HydrophobicContact CB-CG1 3.82Å; P14-V75 HydrophobicContact CG-CB 4.19Å; P14-V75 HydrophobicContact CG-CG1 4.24Å; P14-L76 HydrophobicContact CG-CB 3.57Å; P14-L76 HydrophobicContact CG-CD1 4.06Å; P14-L76 HydrophobicContact CG-CG 4.35Å
15F97.8Very high93.2Very high39 Ų3943.7 Ų43.717%0.17122%0.222CC..EExtended strand (participates in β ladder)trans-134.677.1-172-175.4-96.9000109.9E13 S17 H20 G43 W46 R49 V75E13-F15 PolarHBondContact O-N 3.35Å; E13-F15 WeakPolarHBondContact OE1-CA 3.43Å; E13-F15 PolarHBondContact OE1-N 2.81Å; F15-S17 WeakPolarHBondContact CE1-OG 3.33Å; F15-S17 WeakPolarHBondContact CZ-OG 3.37Å; F15-S17 PolarHBondContact O-N 3.42Å; F15-H20 WeakPolarHBondContact O-CB 3.05Å; F15-G43 VanDerWaalsContact CD2-CA 3.42Å; F15-G43 VanDerWaalsContact CE2-O 3.24Å; F15-G43 WeakPolarHBondContact CE2-O 3.41Å; F15-W46 HydrophobicContact CD2-CB 3.67Å; F15-W46 HydrophobicContact CE2-CB 3.65Å; F15-W46 HydrophobicContact CG-CB 4.46Å; F15-W46 HydrophobicContact CZ-CB 4.43Å; F15-R49 HydrophobicContact CD2-CG 4.42Å; F15-V75 HydrophobicContact CB-CG1 4.2Å; F15-V75 HydrophobicContact CB-CG2 4.27Å
16C97Very high94.5Very high26 Ų2638.6 Ų38.618%0.17621%0.207CC..EExtended strand (participates in β ladder)trans-84.783.7-177.9-1630000110.9E13 T40 L41 G43E13-C16 HydrophobicContact CG-CB 3.95Å; C16-T40 HydrophobicContact CB-CG2 4.35Å; C16-L41 VanDerWaalsContact CB-O 3.25Å; C16-L41 WeakPolarHBondContact CB-O 3.38Å; C16-L41 PolarHBondContact N-O 3.39Å; C16-G43 PolarHBondContact O-N 3.31Å
17S92.7Very high95.6Very high33 Ų3334.4 Ų34.423%0.23119%0.187CC..SBendtrans-151.7162.5167.563.60000111.1F15 S19 H20 S21 G43F15-S17 WeakPolarHBondContact CE1-OG 3.33Å; F15-S17 WeakPolarHBondContact CZ-OG 3.37Å; F15-S17 PolarHBondContact O-N 3.42Å; S17-S19 PolarHBondContact O-N 3.05Å; S17-H20 WeakPolarHBondContact O-CB 3.25Å; S17-H20 PolarHBondContact O-N 2.95Å; S17-S21 PolarHBondContact O-N 3.46Å; S17-G43 PolarHBondContact OG-O 3.37Å
18G91.1Very high96Very high26 Ų2633.4 Ų33.427%0.26818%0.179SC..THydrogen-bonded Turntrans53-130.1-179.800000112.9H20 S21 Q22G18-H20 PolarHBondContact O-N 2.91Å; G18-S21 PolarHBondContact O-N 2.94Å; G18-S21 VanDerWaalsContact O-N 3.16Å; G18-Q22 PolarHBondContact O-N 3.32Å; G18-Q22 VanDerWaalsContact O-N 3.14Å
19S92.5Very high96Very high42 Ų4238.4 Ų38.429%0.29421%0.207SC..Hα-helixtrans-60-27179.256.90000113.9S17 M23 H98 F174S17-S19 PolarHBondContact O-N 3.05Å; S19-M23 PolarHBondContact O-N 2.89Å; S19-H98 PolarHBondContact OG-ND1 3.46Å; S19-F174 WeakPolarHBondContact O-CE2 3.22Å; S19-F174 VanDerWaalsContact O-CZ 3.23Å; S19-F174 WeakPolarHBondContact O-CZ 3.48Å
20H96Very high95.8Very high11 Ų1140 Ų405%0.05122%0.219CC..Hα-helixtrans-70.2-43.3176.9-69.3-105.1000111E13 F15 S17 G18 Q22 M23 I24 H98E13-H20 HydrophobicContact CG-CB 4.08Å; E13-H20 IonicContact OE1-ND1 2.81Å; E13-H20 PolarHBondContact OE1-ND1 2.82Å; E13-H20 IonicContact OE2-CE1 3.11Å; E13-H20 IonicContact OE2-CG 2.71Å; E13-H20 IonicContact OE2-ND1 3.12Å; E13-H20 PolarHBondContact OE2-ND1 3.11Å; F15-H20 WeakPolarHBondContact O-CB 3.05Å; S17-H20 WeakPolarHBondContact O-CB 3.25Å; S17-H20 PolarHBondContact O-N 2.95Å; G18-H20 PolarHBondContact O-N 2.91Å; H20-Q22 VanDerWaalsContact C-N 3.33Å; H20-Q22 PolarHBondContact O-N 3.29Å; H20-M23 PolarHBondContact O-N 3.05Å; H20-I24 WeakPolarHBondContact O-CG1 3.34Å; H20-I24 PolarHBondContact O-N 3.13Å; H20-I24 VanDerWaalsContact O-N 3.07Å; H20-H98 AromaticContact CE1-CD2 3.22Å; H20-H98 PolarHBondContact CE1-CD2 3.4Å; H20-H98 AromaticContact CE1-CG 3.75Å; H20-H98 AromaticContact CE1-NE2 3.77Å; H20-H98 AromaticContact CG-NE2 3.85Å; H20-H98 AromaticContact ND1-CD2 3.52Å; H20-H98 AromaticContact ND1-NE2 3.56Å; H20-H98 AromaticContact NE2-CD2 3.53Å; H20-H98 AromaticContact NE2-CG 3.56Å
21S95.6Very high95.6Very high39 Ų3945.5 Ų45.527%0.27324%0.243SC..Hα-helixtrans-62.3-42.4174-168.80000111.4S17 G18 M23 I24 D25S17-S21 PolarHBondContact O-N 3.46Å; G18-S21 PolarHBondContact O-N 2.94Å; G18-S21 VanDerWaalsContact O-N 3.16Å; S21-M23 VanDerWaalsContact C-N 3.31Å; S21-M23 PolarHBondContact O-N 3.42Å; S21-I24 WeakPolarHBondContact O-CB 3.45Å; S21-I24 PolarHBondContact O-N 3.38Å; S21-I24 VanDerWaalsContact O-N 3.11Å; S21-D25 PolarHBondContact O-N 3.25Å
22Q94.4Very high95.4Very high116 Ų11650 Ų5054%0.54227%0.267SS..Hα-helixtrans-60.5-39.9177.2-67.7173.420.200112.3G18 H20 D25 L26 F174G18-Q22 PolarHBondContact O-N 3.32Å; G18-Q22 VanDerWaalsContact O-N 3.14Å; H20-Q22 VanDerWaalsContact C-N 3.33Å; H20-Q22 PolarHBondContact O-N 3.29Å; Q22-D25 PolarHBondContact O-N 3.01Å; Q22-L26 WeakPolarHBondContact O-CB 3.25Å; Q22-L26 PolarHBondContact O-N 3.44Å; Q22-F174 HydrophobicContact CB-CZ 4.09Å
23M95.4Very high95.1Very high10 Ų1053.8 Ų53.85%0.04930%0.299CS..Hα-helixtrans-63.6-41.4174.2-179.8171.9-74.900111.8S19 H20 S21 L26 F27 F71 Y96 F174S19-M23 PolarHBondContact O-N 2.89Å; H20-M23 PolarHBondContact O-N 3.05Å; S21-M23 VanDerWaalsContact C-N 3.31Å; S21-M23 PolarHBondContact O-N 3.42Å; M23-L26 WeakPolarHBondContact O-CB 3.43Å; M23-L26 PolarHBondContact O-N 2.96Å; M23-F27 HydrophobicContact CG-CD2 3.9Å; M23-F27 HydrophobicContact CG-CE2 3.43Å; M23-F27 VanDerWaalsContact CG-CE2 3.43Å; M23-F27 HydrophobicContact CG-CZ 4.1Å; M23-F27 WeakPolarHBondContact O-CD2 3.38Å; M23-F27 PolarHBondContact O-N 2.69Å; M23-F27 HydrophobicContact SD-CE2 3.88Å; M23-F27 HydrophobicContact SD-CZ 4.28Å; M23-F71 HydrophobicContact SD-CE1 3.83Å; M23-F71 HydrophobicContact SD-CZ 3.76Å; M23-Y96 HydrophobicContact CE-CD1 3.54Å; M23-Y96 HydrophobicContact CE-CD2 4.19Å; M23-Y96 HydrophobicContact CE-CE1 3.3Å; M23-Y96 HydrophobicContact CE-CE2 3.97Å; M23-Y96 HydrophobicContact CE-CG 3.99Å; M23-Y96 HydrophobicContact SD-CD1 4.15Å; M23-Y96 HydrophobicContact SD-CE1 4.45Å; M23-Y96 HydrophobicContact SD-CG 4.43Å; M23-F174 HydrophobicContact CB-CE2 4.09Å; M23-F174 HydrophobicContact CB-CZ 4.49Å; M23-F174 HydrophobicContact CE-CD2 4.01Å; M23-F174 HydrophobicContact CE-CE2 3.84Å
24I96.9Very high94.8Very high3 Ų358.6 Ų58.62%0.01532%0.324CS..Hα-helixtrans-64.6-42.4177.6-67-68.3000111.5I11 E13 H20 S21 L26 F27 R28 I38 T40I11-I24 HydrophobicContact CG2-CD1 3.77Å; E13-I24 HydrophobicContact CB-CD1 3.78Å; E13-I24 HydrophobicContact CB-CG1 4.02Å; E13-I24 HydrophobicContact CG-CD1 4.45Å; E13-I24 HydrophobicContact CG-CG1 4.18Å; H20-I24 WeakPolarHBondContact O-CG1 3.34Å; H20-I24 PolarHBondContact O-N 3.13Å; H20-I24 VanDerWaalsContact O-N 3.07Å; S21-I24 WeakPolarHBondContact O-CB 3.45Å; S21-I24 PolarHBondContact O-N 3.38Å; S21-I24 VanDerWaalsContact O-N 3.11Å; I24-L26 VanDerWaalsContact C-N 3.33Å; I24-F27 HydrophobicContact CD1-CD2 4.46Å; I24-F27 PolarHBondContact O-N 2.98Å; I24-R28 WeakPolarHBondContact O-CG 3.41Å; I24-R28 PolarHBondContact O-N 2.85Å; I24-I38 HydrophobicContact CD1-CG2 3.73Å; I24-I38 HydrophobicContact CG2-CG2 3.97Å; I24-T40 HydrophobicContact CD1-CG2 4.02Å; I24-T40 HydrophobicContact CG1-CG2 4.13Å; I24-T40 HydrophobicContact CG2-CG2 4.18Å
25D95.3Very high94.6Very high62 Ų6260.6 Ų60.633%0.33234%0.339SS..Hα-helixtrans-66.8-38177-64.8-30.6000111.3S21 Q22 F27 R28 N29S21-D25 PolarHBondContact O-N 3.25Å; Q22-D25 PolarHBondContact O-N 3.01Å; D25-F27 VanDerWaalsContact C-N 3.34Å; D25-F27 PolarHBondContact O-N 2.84Å; D25-R28 PolarHBondContact O-N 2.87Å; D25-R28 IonicContact OD1-NH1 2.65Å; D25-R28 PolarHBondContact OD1-NH1 3.15Å; D25-R28 VanDerWaalsContact OD1-NH1 3.15Å; D25-N29 WeakPolarHBondContact O-CB 3.24Å; D25-N29 PolarHBondContact O-N 3.46Å; D25-N29 PolarHBondContact O-ND2 3.39Å; D25-N29 VanDerWaalsContact O-ND2 3.12Å
26L94.6Very high94.5Very high52 Ų5259.4 Ų59.427%0.27233%0.334SS..Hα-helixtrans-59-45.8171.6179.667.8000111.6Q22 M23 I24 R28 N29 S30 P175Q22-L26 WeakPolarHBondContact O-CB 3.25Å; Q22-L26 PolarHBondContact O-N 3.44Å; M23-L26 WeakPolarHBondContact O-CB 3.43Å; M23-L26 PolarHBondContact O-N 2.96Å; I24-L26 VanDerWaalsContact C-N 3.33Å; L26-R28 PolarHBondContact O-N 2.94Å; L26-N29 PolarHBondContact O-N 3.4Å; L26-S30 WeakPolarHBondContact CD1-OG 3.48Å; L26-S30 WeakPolarHBondContact O-CB 3.41Å; L26-S30 PolarHBondContact O-N 3.41Å; L26-S30 PolarHBondContact O-OG 3.16Å; L26-P175 HydrophobicContact CD2-CB 3.55Å; L26-P175 HydrophobicContact CD2-CG 3.17Å
27F95.6Very high94.5Very high32 Ų3259.6 Ų59.614%0.1433%0.333CS..Hα-helixtrans-59.4-46.9176.9-76-50.8000111.8I11 M23 I24 D25 N29 S30 F31 M36 I38 F71I11-F27 HydrophobicContact CG2-CD2 3.91Å; I11-F27 HydrophobicContact CG2-CE2 3.99Å; M23-F27 HydrophobicContact CG-CD2 3.9Å; M23-F27 HydrophobicContact CG-CE2 3.43Å; M23-F27 VanDerWaalsContact CG-CE2 3.43Å; M23-F27 HydrophobicContact CG-CZ 4.1Å; M23-F27 WeakPolarHBondContact O-CD2 3.38Å; M23-F27 PolarHBondContact O-N 2.69Å; M23-F27 HydrophobicContact SD-CE2 3.88Å; M23-F27 HydrophobicContact SD-CZ 4.28Å; I24-F27 HydrophobicContact CD1-CD2 4.46Å; I24-F27 PolarHBondContact O-N 2.98Å; D25-F27 VanDerWaalsContact C-N 3.34Å; D25-F27 PolarHBondContact O-N 2.84Å; F27-N29 VanDerWaalsContact C-N 3.26Å; F27-N29 PolarHBondContact O-N 3.41Å; F27-S30 PolarHBondContact O-N 3.31Å; F27-F31 HydrophobicContact CD1-CD2 4.01Å; F27-F31 AromaticContact CD1-CE2 3.72Å; F27-F31 HydrophobicContact CD1-CE2 3.72Å; F27-F31 HydrophobicContact CE1-CE2 4.26Å; F27-F31 WeakPolarHBondContact O-CD2 3.38Å; F27-F31 PolarHBondContact O-N 2.9Å; F27-M36 HydrophobicContact CB-CE 3.69Å; F27-M36 HydrophobicContact CG-CE 4.28Å; F27-I38 HydrophobicContact CB-CD1 4.43Å; F27-F71 AromaticContact CE2-CD1 3.98Å; F27-F71 HydrophobicContact CE2-CD1 3.98Å; F27-F71 AromaticContact CE2-CE1 3.61Å; F27-F71 HydrophobicContact CE2-CE1 3.61Å; F27-F71 HydrophobicContact CE2-CZ 4.06Å; F27-F71 HydrophobicContact CZ-CD1 4.06Å; F27-F71 HydrophobicContact CZ-CD2 4.44Å; F27-F71 AromaticContact CZ-CE1 3.71Å; F27-F71 HydrophobicContact CZ-CE1 3.71Å; F27-F71 HydrophobicContact CZ-CE2 4.12Å; F27-F71 HydrophobicContact CZ-CG 4.41Å; F27-F71 AromaticContact CZ-CZ 3.73Å; F27-F71 HydrophobicContact CZ-CZ 3.73Å
28R95.8Very high94.8Very high124 Ų12459.9 Ų59.947%0.46833%0.331SS..Hα-helixtrans-59-37.7177.2-71.6175.6177.8143.2-1.7112.8I24 D25 L26 I38I24-R28 WeakPolarHBondContact O-CG 3.41Å; I24-R28 PolarHBondContact O-N 2.85Å; D25-R28 PolarHBondContact O-N 2.87Å; D25-R28 IonicContact OD1-NH1 2.65Å; D25-R28 PolarHBondContact OD1-NH1 3.15Å; D25-R28 VanDerWaalsContact OD1-NH1 3.15Å; L26-R28 PolarHBondContact O-N 2.94Å; R28-I38 HydrophobicContact CG-CD1 3.49Å; R28-I38 VanDerWaalsContact CG-CD1 3.49Å
29N94.5Very high95.1Very high140 Ų14060.5 Ų60.575%0.74933%0.329SS*.Hα-helixtrans-83.4-22.6-177-66.2-24.1000113.2D25 L26 F27D25-N29 WeakPolarHBondContact O-CB 3.24Å; D25-N29 PolarHBondContact O-N 3.46Å; D25-N29 PolarHBondContact O-ND2 3.39Å; D25-N29 VanDerWaalsContact O-ND2 3.12Å; L26-N29 PolarHBondContact O-N 3.4Å; F27-N29 VanDerWaalsContact C-N 3.26Å; F27-N29 PolarHBondContact O-N 3.41Å
30S93.6Very high95.4Very high71 Ų7161 Ų6150%0.49733%0.33SS..Hα-helixtrans-97.5-18.6-173.5-54.20000113.8L26 F27L26-S30 WeakPolarHBondContact CD1-OG 3.48Å; L26-S30 WeakPolarHBondContact O-CB 3.41Å; L26-S30 PolarHBondContact O-N 3.41Å; L26-S30 PolarHBondContact O-OG 3.16Å; F27-S30 PolarHBondContact O-N 3.31Å
31F94.3Very high95.5Very high116 Ų11661.3 Ų61.351%0.50933%0.332SS..SBendtrans-128.3154.2-172.5-64.1-79.7000112F27 A33 M36F27-F31 HydrophobicContact CD1-CD2 4.01Å; F27-F31 AromaticContact CD1-CE2 3.72Å; F27-F31 HydrophobicContact CD1-CE2 3.72Å; F27-F31 HydrophobicContact CE1-CE2 4.26Å; F27-F31 WeakPolarHBondContact O-CD2 3.38Å; F27-F31 PolarHBondContact O-N 2.9Å; F31-A33 PolarHBondContact O-N 3.46Å; F31-M36 HydrophobicContact CB-SD 3.4Å; F31-M36 WeakPolarHBondContact CB-SD 3.46Å; F31-M36 HydrophobicContact CD2-SD 4.25Å; F31-M36 HydrophobicContact CG-SD 4.06Å
32N94.1Very high95.6Very high103 Ų10362.8 Ų62.855%0.55134%0.34SS*.  trans-67.6130.4176.7-174.8-47.5000110.3N34 S35N32-N34 PolarHBondContact O-N 3.24Å; N32-N34 VanDerWaalsContact O-N 3.1Å; N32-N34 WeakPolarHBondContact OD1-CB 3.42Å; N32-N34 PolarHBondContact OD1-N 3.15Å; N32-S35 WeakPolarHBondContact O-CB 3.45Å; N32-S35 PolarHBondContact O-N 3.08Å; N32-S35 PolarHBondContact O-OG 2.83Å
33A92.5Very high95.6Very high81 Ų8158 Ų5867%0.66932%0.322SS*.G310 helixtrans-55.8-29.1-179.500000114.2F31 S35 M36F31-A33 PolarHBondContact O-N 3.46Å; A33-S35 VanDerWaalsContact C-N 3.3Å; A33-S35 PolarHBondContact O-N 3.01Å; A33-M36 VanDerWaalsContact O-O 3.06Å
34N92.4Very high95.4Very high104 Ų10466.6 Ų66.656%0.55635%0.354SS*.G310 helixtrans-79.6-12.5178-65.1-27000113.3Q6 K8 N32Q6-N34 PolarHBondContact NE2-O 3.14Å; K8-N34 WeakPolarHBondContact CE-O 3.47Å; N32-N34 PolarHBondContact O-N 3.24Å; N32-N34 VanDerWaalsContact O-N 3.1Å; N32-N34 WeakPolarHBondContact OD1-CB 3.42Å; N32-N34 PolarHBondContact OD1-N 3.15Å
35S94.8Very high95.1Very high43 Ų4374 Ų7430%0.30139%0.386SS..G310 helixtrans-87.2-11.4-178.771.10000113.5K8 C9 N32 A33K8-S35 WeakPolarHBondContact CA-O 3.12Å; C9-S35 PolarHBondContact N-O 2.92Å; N32-S35 WeakPolarHBondContact O-CB 3.45Å; N32-S35 PolarHBondContact O-N 3.08Å; N32-S35 PolarHBondContact O-OG 2.83Å; A33-S35 VanDerWaalsContact C-N 3.3Å; A33-S35 PolarHBondContact O-N 3.01Å
36M95.9Very high94.9Very high13 Ų1375.5 Ų75.56%0.06439%0.387CS..EExtended strand (participates in β ladder)trans-152.3146.6-17261.8-170.9-7000113.2C9 I11 F27 F31 A33 I38C9-M36 HydrophobicContact CB-CB 4.05Å; C9-M36 CarbonylContact O-C 3.51Å; C9-M36 WeakPolarHBondContact O-CA 3.28Å; I11-M36 HydrophobicContact CB-CE 4.47Å; I11-M36 HydrophobicContact CD1-CE 4.18Å; I11-M36 HydrophobicContact CG1-CE 3.35Å; F27-M36 HydrophobicContact CB-CE 3.69Å; F27-M36 HydrophobicContact CG-CE 4.28Å; F31-M36 HydrophobicContact CB-SD 3.4Å; F31-M36 WeakPolarHBondContact CB-SD 3.46Å; F31-M36 HydrophobicContact CD2-SD 4.25Å; F31-M36 HydrophobicContact CG-SD 4.06Å; A33-M36 VanDerWaalsContact O-O 3.06Å; M36-I38 HydrophobicContact CE-CD1 3.58Å; M36-I38 HydrophobicContact CE-CG1 3.55Å
37D97Very high94.8Very high31 Ų3174.7 Ų74.717%0.16639%0.385CS..EExtended strand (participates in β ladder)trans-110.6134.7168.8-62.8-37.3000108.7K8 C9 L10 I11 Y67K8-D37 WeakPolarHBondContact CD-OD2 3.26Å; K8-D37 VanDerWaalsContact NZ-CG 3.31Å; K8-D37 IonicContact NZ-OD1 2.7Å; K8-D37 PolarHBondContact NZ-OD1 3.08Å; K8-D37 IonicContact NZ-OD2 3.15Å; K8-D37 PolarHBondContact NZ-OD2 3.11Å; C9-D37 PolarHBondContact O-N 3.49Å; L10-D37 HydrophobicContact CD1-CB 4.27Å; I11-D37 PolarHBondContact N-O 2.88Å; D37-Y67 HydrophobicContact CB-CE1 4.05Å; D37-Y67 WeakPolarHBondContact OD2-CE1 3.45Å; D37-Y67 PolarHBondContact OD2-OH 3.03Å
38I98.2Very high94.8Very high38 Ų3880.4 Ų80.420%0.19541%0.406CS..EExtended strand (participates in β ladder)trans-118.5117.6-179.1-53.1178.3000108.7I11 I24 F27 R28 M36 T40I11-I38 HydrophobicContact CB-CB 4.44Å; I11-I38 HydrophobicContact CB-CG1 4.11Å; I11-I38 HydrophobicContact CB-CG2 4.29Å; I11-I38 HydrophobicContact CG1-CG1 4.23Å; I11-I38 HydrophobicContact CG2-CG2 4.41Å; I11-I38 WeakPolarHBondContact O-CA 3.19Å; I24-I38 HydrophobicContact CD1-CG2 3.73Å; I24-I38 HydrophobicContact CG2-CG2 3.97Å; F27-I38 HydrophobicContact CB-CD1 4.43Å; R28-I38 HydrophobicContact CG-CD1 3.49Å; R28-I38 VanDerWaalsContact CG-CD1 3.49Å; M36-I38 HydrophobicContact CE-CD1 3.58Å; M36-I38 HydrophobicContact CE-CG1 3.55Å; I38-T40 HydrophobicContact CG2-CG2 3.8Å
39L98.4Very high94.9Very high40 Ų4077 Ų7721%0.20939%0.393CS..EExtended strand (participates in β ladder)trans-114122175.5-50.6177.9000109.4L10 I11 L12 E13 F57 V60 I61L10-L39 HydrophobicContact CD1-CD1 4.11Å; L10-L39 HydrophobicContact CD1-CG 4.24Å; I11-L39 PolarHBondContact O-N 3.48Å; L12-L39 WeakPolarHBondContact CA-O 3.11Å; L12-L39 HydrophobicContact CD2-CB 3.78Å; L12-L39 HydrophobicContact CD2-CD1 3.94Å; L12-L39 HydrophobicContact CD2-CG 4.15Å; E13-L39 PolarHBondContact N-O 3.42Å; L39-F57 HydrophobicContact CB-CD1 4.01Å; L39-F57 HydrophobicContact CB-CE1 3.78Å; L39-F57 HydrophobicContact CD1-CD1 4.49Å; L39-V60 HydrophobicContact CD1-CG2 4.06Å; L39-I61 HydrophobicContact CD1-CB 4.48Å; L39-I61 HydrophobicContact CD1-CG1 3.63Å
40T98.5Very high94.9Very high51 Ų5171 Ų7131%0.31336%0.362SS..EExtended strand (participates in β ladder)trans-127.3149.5-176.464.40000112E13 C16 I24 I38E13-T40 HydrophobicContact CB-CG2 3.91Å; E13-T40 CarbonylContact O-C 3.5Å; E13-T40 VanDerWaalsContact O-CA 3.24Å; E13-T40 WeakPolarHBondContact O-CA 3.32Å; C16-T40 HydrophobicContact CB-CG2 4.35Å; I24-T40 HydrophobicContact CD1-CG2 4.02Å; I24-T40 HydrophobicContact CG1-CG2 4.13Å; I24-T40 HydrophobicContact CG2-CG2 4.18Å; I38-T40 HydrophobicContact CG2-CG2 3.8Å
41L98.6Very high95Very high19 Ų1971.6 Ų71.610%0.09935%0.354CS..EExtended strand (participates in β ladder)trans-113.1150.7167.9-77.1171.9000110.7E13 P14 C16 G43 A53 F57E13-L41 PolarHBondContact O-N 3.35Å; P14-L41 WeakPolarHBondContact O-CB 3.43Å; C16-L41 VanDerWaalsContact CB-O 3.25Å; C16-L41 WeakPolarHBondContact CB-O 3.38Å; C16-L41 PolarHBondContact N-O 3.39Å; L41-G43 PolarHBondContact O-N 3.47Å; L41-A53 HydrophobicContact CD1-CB 3.88Å; L41-F57 HydrophobicContact CD1-CE1 4.47Å; L41-F57 HydrophobicContact CD1-CZ 4.14Å; L41-F57 HydrophobicContact CG-CE1 4.18Å; L41-F57 HydrophobicContact CG-CZ 4.02Å
42P97.1Very high95.1Very high69 Ų6968.7 Ų68.745%0.44835%0.345SS..EExtended strand (participates in β ladder)trans-57.4133.2177.9-24.432000111.9R44 R49P42-R44 PolarHBondContact O-N 3.22Å; P42-R49 PolarHBondContact O-NE 3.45Å; P42-R49 PolarHBondContact O-NH2 2.87Å
43G93.1Very high95.4Very high15 Ų1563.8 Ų63.816%0.15532%0.319CS..SBendtrans-71.358.5178.800000114.3F15 C16 S17 L41F15-G43 VanDerWaalsContact CD2-CA 3.42Å; F15-G43 VanDerWaalsContact CE2-O 3.24Å; F15-G43 WeakPolarHBondContact CE2-O 3.41Å; C16-G43 PolarHBondContact O-N 3.31Å; S17-G43 PolarHBondContact OG-O 3.37Å; L41-G43 PolarHBondContact O-N 3.47Å
44R91.8Very high95.6Very high191 Ų19160 Ų6072%0.72129%0.288SS*.SBendtrans-135.5153.6175.6-69.7-174.1-99.3-154.4-5.2109.1P42 W46 R49P42-R44 PolarHBondContact O-N 3.22Å; R44-W46 PolarHBondContact O-N 2.81Å; R44-R49 PolarHBondContact O-NE 3.34Å
45K90.6Very high95.9Very high158 Ų15859.4 Ų59.469%0.68728%0.284SS*.  trans52.752.3-179.8-60.4-174.7178.2-177.20111.7P47 W48 R49K45-P47 VanDerWaalsContact C-N 3.27Å; K45-P47 WeakPolarHBondContact O-CD 3.25Å; K45-P47 VanDerWaalsContact O-N 3.11Å; K45-W48 HydrophobicContact CB-CB 4.29Å; K45-W48 HydrophobicContact CB-CG 4.49Å; K45-W48 WeakPolarHBondContact O-CA 3.2Å; K45-W48 WeakPolarHBondContact O-CB 3.47Å; K45-W48 PolarHBondContact O-N 2.92Å; K45-R49 PolarHBondContact O-N 3.2Å
46W92.4Very high96.1Very high94 Ų9460.9 Ų60.936%0.35629%0.286SS..Hα-helixtrans-49.8-36.2-176.481.7-101.5000114.6F15 R44 W48 R49 A50 F116F15-W46 HydrophobicContact CD2-CB 3.67Å; F15-W46 HydrophobicContact CE2-CB 3.65Å; F15-W46 HydrophobicContact CG-CB 4.46Å; F15-W46 HydrophobicContact CZ-CB 4.43Å; R44-W46 PolarHBondContact O-N 2.81Å; W46-W48 PolarHBondContact O-N 2.71Å; W46-R49 WeakPolarHBondContact O-CA 3.4Å; W46-R49 WeakPolarHBondContact O-CB 3.47Å; W46-R49 PolarHBondContact O-N 3.22Å; W46-A50 HydrophobicContact CE3-CB 4.38Å; W46-A50 HydrophobicContact CZ3-CB 4.45Å; W46-A50 PolarHBondContact O-N 3.47Å; W46-F116 HydrophobicContact CH2-CD1 4.36Å; W46-F116 AromaticContact CH2-CD2 3.45Å; W46-F116 HydrophobicContact CH2-CD2 3.45Å; W46-F116 VanDerWaalsContact CH2-CD2 3.45Å; W46-F116 HydrophobicContact CH2-CE1 4.37Å; W46-F116 AromaticContact CH2-CE2 3.48Å; W46-F116 HydrophobicContact CH2-CE2 3.48Å; W46-F116 VanDerWaalsContact CH2-CE2 3.48Å; W46-F116 AromaticContact CH2-CG 3.94Å; W46-F116 HydrophobicContact CH2-CG 3.94Å; W46-F116 AromaticContact CH2-CZ 3.98Å; W46-F116 HydrophobicContact CH2-CZ 3.98Å; W46-F116 HydrophobicContact CZ2-CE2 4.36Å; W46-F116 AromaticContact CZ3-CD1 3.81Å; W46-F116 HydrophobicContact CZ3-CD1 3.81Å; W46-F116 AromaticContact CZ3-CD2 3.77Å; W46-F116 HydrophobicContact CZ3-CD2 3.77Å; W46-F116 AromaticContact CZ3-CE1 3.88Å; W46-F116 HydrophobicContact CZ3-CE1 3.88Å; W46-F116 AromaticContact CZ3-CE2 3.85Å; W46-F116 HydrophobicContact CZ3-CE2 3.85Å; W46-F116 AromaticContact CZ3-CG 3.77Å; W46-F116 HydrophobicContact CZ3-CG 3.77Å; W46-F116 AromaticContact CZ3-CZ 3.91Å; W46-F116 HydrophobicContact CZ3-CZ 3.91Å
47P92.5Very high96.3Very high36 Ų3660.3 Ų60.323%0.23428%0.284CS..Hα-helixtrans-60.9-35.5177.8-27.840.1000112.3K45 R51 F116K45-P47 VanDerWaalsContact C-N 3.27Å; K45-P47 WeakPolarHBondContact O-CD 3.25Å; K45-P47 VanDerWaalsContact O-N 3.11Å; P47-R51 WeakPolarHBondContact O-CD 3.47Å; P47-R51 VanDerWaalsContact O-CG 3.27Å; P47-R51 WeakPolarHBondContact O-CG 3.24Å; P47-R51 PolarHBondContact O-N 3.2Å; P47-F116 HydrophobicContact CB-CE1 4.38Å; P47-F116 HydrophobicContact CB-CZ 3.74Å
48W94.8Very high96.3Very high152 Ų15259.5 Ų59.558%0.57628%0.28SS*.Hα-helixtrans-71.9-39.7174.9-72.295.7000111.2K45 W46 A50 R51 T52K45-W48 HydrophobicContact CB-CB 4.29Å; K45-W48 HydrophobicContact CB-CG 4.49Å; K45-W48 WeakPolarHBondContact O-CA 3.2Å; K45-W48 WeakPolarHBondContact O-CB 3.47Å; K45-W48 PolarHBondContact O-N 2.92Å; W46-W48 PolarHBondContact O-N 2.71Å; W48-A50 VanDerWaalsContact C-N 3.33Å; W48-A50 PolarHBondContact O-N 3.37Å; W48-R51 PolarHBondContact O-N 3.05Å; W48-T52 HydrophobicContact CE3-CG2 4.14Å; W48-T52 PolarHBondContact O-N 3.17Å; W48-T52 PolarHBondContact O-OG1 3.48Å
49R96.8Very high96.3Very high53 Ų5365.1 Ų65.120%0.231%0.306CS..Hα-helixtrans-58.5-46.4174.8-59.4-53.8-174-145.7-1111.6P14 F15 P42 R44 K45 W46 R51 A53 V75P14-R49 HydrophobicContact CB-CB 3.98Å; P14-R49 WeakPolarHBondContact O-CB 3.46Å; P14-R49 WeakPolarHBondContact O-CD 3.49Å; P14-R49 WeakPolarHBondContact O-CG 3.39Å; F15-R49 HydrophobicContact CD2-CG 4.42Å; P42-R49 PolarHBondContact O-NE 3.45Å; P42-R49 PolarHBondContact O-NH2 2.87Å; R44-R49 PolarHBondContact O-NE 3.34Å; K45-R49 PolarHBondContact O-N 3.2Å; W46-R49 WeakPolarHBondContact O-CA 3.4Å; W46-R49 WeakPolarHBondContact O-CB 3.47Å; W46-R49 PolarHBondContact O-N 3.22Å; R49-R51 VanDerWaalsContact C-N 3.27Å; R49-R51 PolarHBondContact O-N 3.15Å; R49-A53 WeakPolarHBondContact O-CB 3.44Å; R49-A53 PolarHBondContact O-N 2.89Å; R49-A53 VanDerWaalsContact O-N 3.09Å; R49-V75 HydrophobicContact CB-CG1 4.15Å
50A95.8Very high96.2Very high12 Ų1266.3 Ų66.310%0.09931%0.314CS..Hα-helixtrans-64.6-30.517900000113.6W46 W48 V75 F116W46-A50 HydrophobicContact CE3-CB 4.38Å; W46-A50 HydrophobicContact CZ3-CB 4.45Å; W46-A50 PolarHBondContact O-N 3.47Å; W48-A50 VanDerWaalsContact C-N 3.33Å; W48-A50 PolarHBondContact O-N 3.37Å; A50-V75 VanDerWaalsContact CA-O 3.3Å; A50-V75 WeakPolarHBondContact CA-O 3.38Å; A50-V75 HydrophobicContact CB-CG1 4.18Å; A50-F116 HydrophobicContact CB-CD1 3.71Å; A50-F116 HydrophobicContact CB-CE1 3.79Å
51R95.5Very high96.2Very high84 Ų8464 Ų6432%0.31730%0.3SS..Hα-helixtrans-87.9-31.1-178.2-72172.8-172.2148.41.4114.8P47 W48 R49 C112 F116P47-R51 WeakPolarHBondContact O-CD 3.47Å; P47-R51 VanDerWaalsContact O-CG 3.27Å; P47-R51 WeakPolarHBondContact O-CG 3.24Å; P47-R51 PolarHBondContact O-N 3.2Å; W48-R51 PolarHBondContact O-N 3.05Å; R49-R51 VanDerWaalsContact C-N 3.27Å; R49-R51 PolarHBondContact O-N 3.15Å; R51-C112 PolarHBondContact NH2-SG 2.91Å; R51-F116 HydrophobicContact CG-CE1 4.1Å
52T97.2Very high95.9Very high55 Ų5565.2 Ų65.234%0.33731%0.309SS..Hα-helixtrans-126.1-8.5-165.970.90000114.5W48 A54 L55 H56W48-T52 HydrophobicContact CE3-CG2 4.14Å; W48-T52 PolarHBondContact O-N 3.17Å; W48-T52 PolarHBondContact O-OG1 3.48Å; T52-A54 VanDerWaalsContact C-N 3.25Å; T52-A54 PolarHBondContact O-N 2.72Å; T52-L55 PolarHBondContact O-N 3.29Å; T52-H56 PolarHBondContact O-N 2.87Å; T52-H56 VanDerWaalsContact O-N 3.09Å
53A98.5Very high95.6Very high0 Ų068 Ų680%032%0.321CS..Hα-helixtrans-64.5-30.1-178.100000113P14 L41 R49 H56 F57 L76P14-A53 HydrophobicContact CB-CB 3.58Å; P14-A53 HydrophobicContact CG-CB 3.85Å; L41-A53 HydrophobicContact CD1-CB 3.88Å; R49-A53 WeakPolarHBondContact O-CB 3.44Å; R49-A53 PolarHBondContact O-N 2.89Å; R49-A53 VanDerWaalsContact O-N 3.09Å; A53-H56 PolarHBondContact O-N 3.35Å; A53-F57 HydrophobicContact CB-CD2 4.2Å; A53-F57 HydrophobicContact CB-CE2 4.04Å; A53-F57 WeakPolarHBondContact O-CB 3.23Å; A53-F57 WeakPolarHBondContact O-CD2 3.21Å; A53-F57 WeakPolarHBondContact O-CG 3.44Å; A53-F57 PolarHBondContact O-N 3.48Å; A53-L76 HydrophobicContact CB-CD1 4.01Å
54A98.6Very high95.3Very high1 Ų172.6 Ų72.61%0.00834%0.341CS..Hα-helixtrans-60-48.9175.200000111.7T52 F57 S58 L76 E80 L81T52-A54 VanDerWaalsContact C-N 3.25Å; T52-A54 PolarHBondContact O-N 2.72Å; A54-F57 PolarHBondContact O-N 3.35Å; A54-S58 PolarHBondContact O-N 2.87Å; A54-S58 PolarHBondContact O-OG 3.36Å; A54-L76 HydrophobicContact CB-CD1 4.11Å; A54-E80 HydrophobicContact CB-CB 3.87Å; A54-E80 HydrophobicContact CB-CG 3.69Å; A54-L81 HydrophobicContact CB-CB 4.05Å; A54-L81 WeakPolarHBondContact O-CD1 3.49Å
55L98.5Very high95.2Very high93 Ų9364.9 Ų64.949%0.48732%0.317SS..Hα-helixtrans-63.3-40.9175.7-179.961.8000112.6T52 S58 L84T52-L55 PolarHBondContact O-N 3.29Å; L55-S58 PolarHBondContact O-OG 3.36Å; L55-L84 HydrophobicContact CB-CD1 4.3Å; L55-L84 HydrophobicContact CD1-CD1 4.22Å
56H98.7Very high95.3Very high74 Ų7460.1 Ų60.134%0.34330%0.3SS..Hα-helixtrans-61.4-51.7175.3176.275.1000111.2T52 A53 S58 Q59 V60T52-H56 PolarHBondContact O-N 2.87Å; T52-H56 VanDerWaalsContact O-N 3.09Å; A53-H56 PolarHBondContact O-N 3.35Å; H56-S58 VanDerWaalsContact C-N 3.33Å; H56-S58 PolarHBondContact O-N 3.32Å; H56-Q59 PolarHBondContact O-N 3.16Å; H56-Q59 VanDerWaalsContact O-N 3.14Å; H56-V60 PolarHBondContact O-N 3.43Å
57F98.7Very high95.5Very high1 Ų156 Ų560%0.00429%0.285CS..Hα-helixtrans-65.4-33.4-178.8-68.9-42.1000112.8L12 P14 L39 L41 A53 A54 Q59 V60 I61 L76 L81L12-F57 HydrophobicContact CB-CD2 4.33Å; L12-F57 HydrophobicContact CB-CE2 4.19Å; L12-F57 HydrophobicContact CD2-CB 4.49Å; L12-F57 HydrophobicContact CD2-CD1 4.25Å; L12-F57 HydrophobicContact CD2-CD2 4.29Å; L12-F57 HydrophobicContact CD2-CG 4.12Å; P14-F57 HydrophobicContact CB-CE2 4.43Å; P14-F57 HydrophobicContact CG-CE2 3.96Å; L39-F57 HydrophobicContact CB-CD1 4.01Å; L39-F57 HydrophobicContact CB-CE1 3.78Å; L39-F57 HydrophobicContact CD1-CD1 4.49Å; L41-F57 HydrophobicContact CD1-CE1 4.47Å; L41-F57 HydrophobicContact CD1-CZ 4.14Å; L41-F57 HydrophobicContact CG-CE1 4.18Å; L41-F57 HydrophobicContact CG-CZ 4.02Å; A53-F57 HydrophobicContact CB-CD2 4.2Å; A53-F57 HydrophobicContact CB-CE2 4.04Å; A53-F57 WeakPolarHBondContact O-CB 3.23Å; A53-F57 WeakPolarHBondContact O-CD2 3.21Å; A53-F57 WeakPolarHBondContact O-CG 3.44Å; A53-F57 PolarHBondContact O-N 3.48Å; A54-F57 PolarHBondContact O-N 3.35Å; F57-Q59 PolarHBondContact O-N 3.17Å; F57-Q59 VanDerWaalsContact O-N 3.1Å; F57-V60 HydrophobicContact CD1-CG2 3.82Å; F57-V60 PolarHBondContact O-N 2.95Å; F57-I61 HydrophobicContact CB-CD1 4.24Å; F57-I61 WeakPolarHBondContact O-CB 3.5Å; F57-I61 VanDerWaalsContact O-CD1 3.29Å; F57-I61 WeakPolarHBondContact O-CD1 3.36Å; F57-I61 WeakPolarHBondContact O-CG1 3.32Å; F57-I61 PolarHBondContact O-N 3.26Å; F57-L76 HydrophobicContact CD2-CD1 3.92Å; F57-L76 HydrophobicContact CD2-CD2 4.43Å; F57-L76 HydrophobicContact CE2-CD1 4.36Å; F57-L81 HydrophobicContact CB-CD1 4.06Å
58S98Very high95.7Very high14 Ų1458.3 Ų58.310%0.09829%0.292CS..Hα-helixtrans-59.8-25.3175.665.30000113.4A54 L55 H56A54-S58 PolarHBondContact O-N 2.87Å; A54-S58 PolarHBondContact O-OG 3.36Å; L55-S58 PolarHBondContact O-OG 3.36Å; H56-S58 VanDerWaalsContact C-N 3.33Å; H56-S58 PolarHBondContact O-N 3.32Å
59Q97.7Very high95.9Very high155 Ų15552.3 Ų52.372%0.72427%0.272SS*.Hα-helixtrans-90.8-30178-65.8-173.1-42.100113.8H56 F57H56-Q59 PolarHBondContact O-N 3.16Å; H56-Q59 VanDerWaalsContact O-N 3.14Å; F57-Q59 PolarHBondContact O-N 3.17Å; F57-Q59 VanDerWaalsContact O-N 3.1Å
60V97.5Very high95.9Very high65 Ų6549.8 Ų49.839%0.39426%0.263SS..Hα-helixtrans-96.4-12.5-175.4-59.80000113.9L39 H56 F57 P62L39-V60 HydrophobicContact CD1-CG2 4.06Å; H56-V60 PolarHBondContact O-N 3.43Å; F57-V60 HydrophobicContact CD1-CG2 3.82Å; F57-V60 PolarHBondContact O-N 2.95Å; V60-P62 WeakPolarHBondContact O-CD 3.31Å
61I97.4Very high96.1Very high3 Ų350.7 Ų50.72%0.01527%0.265CS..SBendtrans-66.8123.6173.3-71.8163.9000109.2L10 L12 L39 F57 Y67 L81 R85 L88L10-I61 HydrophobicContact CD2-CD1 3.72Å; L10-I61 HydrophobicContact CD2-CG1 3.94Å; L10-I61 HydrophobicContact CD2-CG2 4.28Å; L12-I61 HydrophobicContact CD1-CD1 4.48Å; L39-I61 HydrophobicContact CD1-CB 4.48Å; L39-I61 HydrophobicContact CD1-CG1 3.63Å; F57-I61 HydrophobicContact CB-CD1 4.24Å; F57-I61 WeakPolarHBondContact O-CB 3.5Å; F57-I61 VanDerWaalsContact O-CD1 3.29Å; F57-I61 WeakPolarHBondContact O-CD1 3.36Å; F57-I61 WeakPolarHBondContact O-CG1 3.32Å; F57-I61 PolarHBondContact O-N 3.26Å; I61-Y67 HydrophobicContact CG2-CD2 4.36Å; I61-Y67 HydrophobicContact CG2-CE2 3.65Å; I61-L81 HydrophobicContact CD1-CD1 3.99Å; I61-L81 HydrophobicContact CD1-CD2 4.24Å; I61-R85 HydrophobicContact CD1-CG 4.49Å; I61-R85 PolarHBondContact O-NH2 2.98Å; I61-L88 HydrophobicContact CD1-CD1 3.97Å
62P93Very high96.2Very high45 Ų4546.7 Ų46.729%0.29225%0.249SC..  trans-54.5141179-25.130.8000113.8V60 D64 C65 Y67 R85V60-P62 WeakPolarHBondContact O-CD 3.31Å; P62-D64 VanDerWaalsContact CB-OD1 3.29Å; P62-D64 WeakPolarHBondContact CB-OD1 3.34Å; P62-C65 HydrophobicContact CB-CB 4.16Å; P62-Y67 WeakPolarHBondContact CD-OH 3.37Å; P62-R85 PolarHBondContact O-NH2 2.85Å
63D89.6Confident96.3Very high128 Ų12844 Ų4468%0.68423%0.233SC*.SBendtrans-81.4-25.7177.7-73.2-49.1000113.8R85D63-R85 VanDerWaalsContact CA-NH2 3.32Å; D63-R85 IonicContact OD1-CZ 3.25Å; D63-R85 IonicContact OD1-NH1 3.56Å; D63-R85 PolarHBondContact OD1-NH1 3.19Å; D63-R85 IonicContact OD1-NH2 2.75Å; D63-R85 PolarHBondContact OD1-NH2 3.4Å
64D88.4Confident96.3Very high110 Ų11044.3 Ų44.359%0.58824%0.235SC*.SBendtrans-85.3-16.7-175.864-25.9000113P62P62-D64 VanDerWaalsContact CB-OD1 3.29Å; P62-D64 WeakPolarHBondContact CB-OD1 3.34Å
65C89.4Confident96.2Very high30 Ų3045.5 Ų45.520%0.20324%0.243CC..  trans-87.7143.9-179.5-66.10000112.7P62 Y67P62-C65 HydrophobicContact CB-CB 4.16Å; C65-Y67 HydrophobicContact CB-CE1 4.32Å; C65-Y67 HydrophobicContact CB-CE2 3.89Å
66V92.4Very high96.2Very high57 Ų5741.2 Ų41.235%0.34522%0.22SC..EExtended strand (participates in β ladder)trans-112115.7173179.40000108.6R5 K7 K8R5-V66 HydrophobicContact CB-CG2 4.23Å; K7-V66 WeakPolarHBondContact CA-O 3.24Å; K8-V66 PolarHBondContact N-O 3.05Å; K8-V66 VanDerWaalsContact N-O 3.16Å
67Y97Very high96.2Very high9 Ų939 Ų394%0.03521%0.21CC..EExtended strand (participates in β ladder)trans-95.8126.7179.6-59.5-72.2000110.9K8 L10 D37 I61 P62 C65 L88K8-Y67 HydrophobicContact CB-CD1 3.99Å; K8-Y67 HydrophobicContact CB-CE1 4.12Å; K8-Y67 VanDerWaalsContact O-CA 3.29Å; K8-Y67 WeakPolarHBondContact O-CA 3.36Å; L10-Y67 HydrophobicContact CB-CD1 3.53Å; L10-Y67 HydrophobicContact CB-CD2 4.34Å; L10-Y67 HydrophobicContact CB-CE1 3.83Å; L10-Y67 HydrophobicContact CB-CG 3.78Å; L10-Y67 HydrophobicContact CD1-CE1 4.01Å; L10-Y67 HydrophobicContact CD1-CE2 4.49Å; L10-Y67 HydrophobicContact CD2-CD2 4.16Å; L10-Y67 HydrophobicContact CD2-CE2 4.22Å; L10-Y67 HydrophobicContact CD2-CG 4.4Å; L10-Y67 HydrophobicContact CG-CD1 4.47Å; L10-Y67 HydrophobicContact CG-CE1 4.38Å; D37-Y67 HydrophobicContact CB-CE1 4.05Å; D37-Y67 WeakPolarHBondContact OD2-CE1 3.45Å; D37-Y67 PolarHBondContact OD2-OH 3.03Å; I61-Y67 HydrophobicContact CG2-CD2 4.36Å; I61-Y67 HydrophobicContact CG2-CE2 3.65Å; P62-Y67 WeakPolarHBondContact CD-OH 3.37Å; C65-Y67 HydrophobicContact CB-CE1 4.32Å; C65-Y67 HydrophobicContact CB-CE2 3.89Å; Y67-L88 HydrophobicContact CD2-CD2 3.85Å; Y67-L88 HydrophobicContact CG-CD2 4.46Å
68H96.5Very high96.2Very high84 Ų8438.9 Ų38.939%0.38921%0.21SC..EExtended strand (participates in β ladder)trans-90.1-21.3174.566.777.3000112.2K7 K8 C9 A91 L92K7-H68 HydrophobicContact CB-CB 4.44Å; K8-H68 VanDerWaalsContact C-CD2 3.48Å; K8-H68 PolarHBondContact O-CD2 3.46Å; K8-H68 VanDerWaalsContact O-CD2 3.23Å; K8-H68 PolarHBondContact O-N 3.4Å; C9-H68 PolarHBondContact SG-CE1 3.41Å; H68-A91 WeakPolarHBondContact O-CA 3.48Å; H68-L92 PolarHBondContact O-N 2.93Å
69T97.9Very high96.2Very high25 Ų2539.5 Ų39.515%0.15322%0.216CC..EExtended strand (participates in β ladder)trans-140.2137.4179-60.20000109.5L10 L92 V94L10-T69 PolarHBondContact N-O 3.09Å; T69-L92 CarbonylContact C-O 3.52Å; T69-L92 VanDerWaalsContact CA-O 3.27Å; T69-L92 WeakPolarHBondContact CA-O 3.34Å; T69-L92 HydrophobicContact CG2-CB 4.47Å; T69-L92 HydrophobicContact CG2-CD2 4.4Å; T69-V94 HydrophobicContact CG2-CG2 4.37Å
70V98.5Very high96.3Very high1 Ų135.2 Ų35.21%0.00620%0.196CC..EExtended strand (participates in β ladder)trans-115.5122.2169177.90000107.3L10 L12 L78 L88 A91 L92 K93 V94L10-V70 HydrophobicContact CB-CG2 4.34Å; L10-V70 HydrophobicContact CD2-CG2 4.35Å; L10-V70 CarbonylContact O-C 3.58Å; L10-V70 WeakPolarHBondContact O-CA 3.48Å; L12-V70 HydrophobicContact CD1-CG1 4.05Å; V70-L78 HydrophobicContact CG1-CD1 4.25Å; V70-L88 HydrophobicContact CG2-CB 4.33Å; V70-L88 HydrophobicContact CG2-CD1 4.28Å; V70-L88 HydrophobicContact CG2-CD2 3.91Å; V70-L88 HydrophobicContact CG2-CG 4.4Å; V70-A91 HydrophobicContact CG2-CB 3.82Å; V70-L92 PolarHBondContact N-O 3.07Å; V70-K93 CarbonylContact O-C 3.59Å; V70-K93 WeakPolarHBondContact O-CA 3.44Å; V70-V94 PolarHBondContact O-N 3.45Å
71F98.6Very high96.3Very high30 Ų3032.1 Ų32.113%0.13218%0.177CC..EExtended strand (participates in β ladder)trans-112.8134.5170.9179.4-80.3000108.7L10 I11 L12 M23 F27 V94 Y96L10-F71 PolarHBondContact O-N 3.45Å; I11-F71 CarbonylContact C-O 3.21Å; I11-F71 WeakPolarHBondContact CA-O 3.46Å; I11-F71 HydrophobicContact CD1-CB 3.59Å; I11-F71 HydrophobicContact CD1-CD1 4.34Å; I11-F71 HydrophobicContact CD1-CG 4.18Å; I11-F71 HydrophobicContact CG2-CD1 4.02Å; L12-F71 PolarHBondContact N-O 3.1Å; M23-F71 HydrophobicContact SD-CE1 3.83Å; M23-F71 HydrophobicContact SD-CZ 3.76Å; F27-F71 AromaticContact CE2-CD1 3.98Å; F27-F71 HydrophobicContact CE2-CD1 3.98Å; F27-F71 AromaticContact CE2-CE1 3.61Å; F27-F71 HydrophobicContact CE2-CE1 3.61Å; F27-F71 HydrophobicContact CE2-CZ 4.06Å; F27-F71 HydrophobicContact CZ-CD1 4.06Å; F27-F71 HydrophobicContact CZ-CD2 4.44Å; F27-F71 AromaticContact CZ-CE1 3.71Å; F27-F71 HydrophobicContact CZ-CE1 3.71Å; F27-F71 HydrophobicContact CZ-CE2 4.12Å; F27-F71 HydrophobicContact CZ-CG 4.41Å; F27-F71 AromaticContact CZ-CZ 3.73Å; F27-F71 HydrophobicContact CZ-CZ 3.73Å; F71-V94 CarbonylContact C-O 3.6Å; F71-V94 VanDerWaalsContact CA-O 3.3Å; F71-V94 WeakPolarHBondContact CA-O 3.38Å; F71-V94 HydrophobicContact CD2-CB 3.94Å; F71-V94 HydrophobicContact CD2-CG1 3.73Å; F71-V94 HydrophobicContact CE2-CG1 4.06Å; F71-Y96 HydrophobicContact CZ-CD2 4.3Å; F71-Y96 AromaticContact CZ-CG 3.93Å; F71-Y96 HydrophobicContact CZ-CG 3.93Å
72C98.7Very high96.4Very high0 Ų032.6 Ų32.60%018%0.18CC..EExtended strand (participates in β ladder)trans-144.9156.4172.767.10000112.3L12 L76 V94 V95 Y96L12-C72 HydrophobicContact CB-CB 3.99Å; L12-C72 VanDerWaalsContact O-CA 3.28Å; L12-C72 WeakPolarHBondContact O-CA 3.32Å; C72-L76 HydrophobicContact CB-CB 4.11Å; C72-L76 HydrophobicContact CB-CD2 3.59Å; C72-L76 HydrophobicContact CB-CG 4.48Å; C72-V94 PolarHBondContact N-O 3.37Å; C72-V95 CarbonylContact O-C 3.57Å; C72-V95 WeakPolarHBondContact O-CA 3.45Å; C72-Y96 PolarHBondContact O-N 3.38Å
73S98.5Very high96.6Very high0 Ų034.3 Ų34.30%020%0.198CC..EExtended strand (participates in β ladder)trans-70156.9165.469.70000111.1L12 E13 V75 L76 Y96L12-S73 PolarHBondContact O-N 3.42Å; E13-S73 PolarHBondContact OE1-OG 3Å; E13-S73 WeakPolarHBondContact OE2-CB 3.43Å; E13-S73 PolarHBondContact OE2-OG 3.47Å; E13-S73 VanDerWaalsContact OE2-OG 3.07Å; S73-V75 PolarHBondContact O-N 3.33Å; S73-L76 PolarHBondContact O-N 3.15Å; S73-L76 VanDerWaalsContact O-N 3.07Å; S73-Y96 CarbonylContact C-O 3.51Å; S73-Y96 WeakPolarHBondContact CA-O 3.47Å
74S98.2Very high97Very high6 Ų632.3 Ų32.34%0.04219%0.187CC..THydrogen-bonded Turntrans-65.8-1.3177.264.60000114.5L76 Y96 F97 E99 Q120S74-L76 VanDerWaalsContact C-N 3.32Å; S74-Y96 PolarHBondContact N-O 3.37Å; S74-F97 VanDerWaalsContact CB-CE1 3.41Å; S74-F97 VanDerWaalsContact CB-CG 3.49Å; S74-F97 WeakPolarHBondContact OG-CD1 3.29Å; S74-E99 PolarHBondContact OG-O 3.27Å; S74-Q120 WeakPolarHBondContact O-CG 3.36Å; S74-Q120 PolarHBondContact O-NE2 2.75Å; S74-Q120 PolarHBondContact OG-NE2 3.25Å
75V97.9Very high97.4Very high26 Ų2628.9 Ų28.916%0.15817%0.166CC..THydrogen-bonded Turntrans-71-32.3169.7-175.90000110.2P14 F15 R49 A50 S73P14-V75 HydrophobicContact CB-CB 4.24Å; P14-V75 HydrophobicContact CB-CG1 3.82Å; P14-V75 HydrophobicContact CG-CB 4.19Å; P14-V75 HydrophobicContact CG-CG1 4.24Å; F15-V75 HydrophobicContact CB-CG1 4.2Å; F15-V75 HydrophobicContact CB-CG2 4.27Å; R49-V75 HydrophobicContact CB-CG1 4.15Å; A50-V75 VanDerWaalsContact CA-O 3.3Å; A50-V75 WeakPolarHBondContact CA-O 3.38Å; A50-V75 HydrophobicContact CB-CG1 4.18Å; S73-V75 PolarHBondContact O-N 3.33Å
76L98.6Very high97.5Very high2 Ų231.8 Ų31.81%0.0119%0.187CC..SBendtrans-77.1129.8-178.7-176.760.9000110.7L12 P14 A53 A54 F57 C72 S73 S74 L78 L81 S123L12-L76 HydrophobicContact CB-CD2 3.96Å; L12-L76 HydrophobicContact CD1-CD2 3.73Å; P14-L76 HydrophobicContact CG-CB 3.57Å; P14-L76 HydrophobicContact CG-CD1 4.06Å; P14-L76 HydrophobicContact CG-CG 4.35Å; A53-L76 HydrophobicContact CB-CD1 4.01Å; A54-L76 HydrophobicContact CB-CD1 4.11Å; F57-L76 HydrophobicContact CD2-CD1 3.92Å; F57-L76 HydrophobicContact CD2-CD2 4.43Å; F57-L76 HydrophobicContact CE2-CD1 4.36Å; C72-L76 HydrophobicContact CB-CB 4.11Å; C72-L76 HydrophobicContact CB-CD2 3.59Å; C72-L76 HydrophobicContact CB-CG 4.48Å; S73-L76 PolarHBondContact O-N 3.15Å; S73-L76 VanDerWaalsContact O-N 3.07Å; S74-L76 VanDerWaalsContact C-N 3.32Å; L76-L78 VanDerWaalsContact C-N 3.29Å; L76-L78 PolarHBondContact O-N 2.71Å; L76-L81 HydrophobicContact CD2-CD2 3.81Å; L76-S123 PolarHBondContact O-OG 2.86Å
77N98.4Very high97.6Very high27 Ų2732.3 Ų32.314%0.14419%0.193CC..  trans-71.188.1162.5-172.7-4.8000109.8A79 E80 L81 A119N77-A79 VanDerWaalsContact C-N 3.3Å; N77-A79 PolarHBondContact O-N 3.06Å; N77-A79 PolarHBondContact OD1-N 2.69Å; N77-E80 HydrophobicContact CB-CB 4.05Å; N77-E80 VanDerWaalsContact CG-CB 3.47Å; N77-E80 WeakPolarHBondContact ND2-CB 3.2Å; N77-E80 PolarHBondContact ND2-OE2 3.14Å; N77-E80 PolarHBondContact O-N 3.04Å; N77-E80 PolarHBondContact OD1-N 3.16Å; N77-L81 PolarHBondContact O-N 3.26Å; N77-L81 VanDerWaalsContact O-N 3.12Å; N77-A119 HydrophobicContact CB-CB 4.42Å
78L98.7Very high97.6Very high0 Ų031.9 Ų31.90%019%0.191CC..Hα-helixtrans-65.1-34.9-175.6177.363.5000111.9V70 L76 L81 V82 K93 S123 I126 A127V70-L78 HydrophobicContact CG1-CD1 4.25Å; L76-L78 VanDerWaalsContact C-N 3.29Å; L76-L78 PolarHBondContact O-N 2.71Å; L78-L81 PolarHBondContact O-N 3.03Å; L78-V82 HydrophobicContact CD1-CG2 4.04Å; L78-V82 HydrophobicContact CG-CG2 4.38Å; L78-V82 WeakPolarHBondContact O-CG2 3.35Å; L78-V82 PolarHBondContact O-N 3.37Å; L78-K93 HydrophobicContact CD2-CB 3.92Å; L78-K93 HydrophobicContact CD2-CG 4.49Å; L78-S123 PolarHBondContact N-OG 3.22Å; L78-I126 HydrophobicContact CB-CG2 4.27Å; L78-I126 HydrophobicContact CD2-CG2 3.96Å; L78-I126 HydrophobicContact CG-CG2 3.86Å; L78-A127 HydrophobicContact CD2-CB 4.09Å
79A98.4Very high97.5Very high26 Ų2630.8 Ų30.822%0.21519%0.193CC..Hα-helixtrans-63.2-44.2178.200000111.6N77 A83 V122 I126N77-A79 VanDerWaalsContact C-N 3.3Å; N77-A79 PolarHBondContact O-N 3.06Å; N77-A79 PolarHBondContact OD1-N 2.69Å; A79-A83 WeakPolarHBondContact O-CB 3.42Å; A79-A83 PolarHBondContact O-N 2.69Å; A79-A83 VanDerWaalsContact O-N 3.07Å; A79-V122 HydrophobicContact CB-CB 4.23Å; A79-V122 HydrophobicContact CB-CG2 3.99Å; A79-I126 HydrophobicContact CB-CB 4.38Å; A79-I126 HydrophobicContact CB-CG2 3.95Å
80E98.5Very high97.4Very high65 Ų6534.8 Ų34.830%0.30422%0.222SC..Hα-helixtrans-63.3-44.2175-178.7179178.900111.7A54 N77 V82 A83 L84A54-E80 HydrophobicContact CB-CB 3.87Å; A54-E80 HydrophobicContact CB-CG 3.69Å; N77-E80 HydrophobicContact CB-CB 4.05Å; N77-E80 VanDerWaalsContact CG-CB 3.47Å; N77-E80 WeakPolarHBondContact ND2-CB 3.2Å; N77-E80 PolarHBondContact ND2-OE2 3.14Å; N77-E80 PolarHBondContact O-N 3.04Å; N77-E80 PolarHBondContact OD1-N 3.16Å; E80-V82 PolarHBondContact O-N 3.34Å; E80-A83 PolarHBondContact O-N 3.06Å; E80-L84 HydrophobicContact CG-CD1 3.87Å; E80-L84 HydrophobicContact CG-CG 4.46Å; E80-L84 WeakPolarHBondContact O-CB 3.44Å; E80-L84 VanDerWaalsContact O-CG 3.27Å; E80-L84 WeakPolarHBondContact O-CG 3.2Å; E80-L84 PolarHBondContact O-N 3.21Å
81L98.7Very high97.4Very high0 Ų034.8 Ų34.80%022%0.222CC..Hα-helixtrans-61.2-47.9178176.963.9000112L12 A54 F57 I61 L76 N77 L78 A83 L84 R85 L88L12-L81 HydrophobicContact CD1-CD2 3.2Å; A54-L81 HydrophobicContact CB-CB 4.05Å; A54-L81 WeakPolarHBondContact O-CD1 3.49Å; F57-L81 HydrophobicContact CB-CD1 4.06Å; I61-L81 HydrophobicContact CD1-CD1 3.99Å; I61-L81 HydrophobicContact CD1-CD2 4.24Å; L76-L81 HydrophobicContact CD2-CD2 3.81Å; N77-L81 PolarHBondContact O-N 3.26Å; N77-L81 VanDerWaalsContact O-N 3.12Å; L78-L81 PolarHBondContact O-N 3.03Å; L81-A83 VanDerWaalsContact C-N 3.26Å; L81-A83 PolarHBondContact O-N 2.89Å; L81-L84 PolarHBondContact O-N 3.21Å; L81-R85 HydrophobicContact CD1-CB 4.3Å; L81-R85 VanDerWaalsContact O-CB 3.29Å; L81-R85 WeakPolarHBondContact O-CB 3.36Å; L81-R85 PolarHBondContact O-N 3.33Å; L81-L88 HydrophobicContact CD2-CD1 4.01Å; L81-L88 HydrophobicContact CG-CD1 4.03Å
82V98.1Very high97.3Very high13 Ų1337.1 Ų37.18%0.07924%0.235CC..Hα-helixtrans-62.8-36.6-179.2172.10000110.9L78 E80 R85 K93 I126L78-V82 HydrophobicContact CD1-CG2 4.04Å; L78-V82 HydrophobicContact CG-CG2 4.38Å; L78-V82 WeakPolarHBondContact O-CG2 3.35Å; L78-V82 PolarHBondContact O-N 3.37Å; E80-V82 PolarHBondContact O-N 3.34Å; V82-R85 CarbonylContact O-C 3.3Å; V82-R85 VanDerWaalsContact O-C 3.3Å; V82-R85 PolarHBondContact O-N 2.55Å; V82-K93 HydrophobicContact CG2-CD 4.49Å; V82-I126 HydrophobicContact CG1-CG1 4.5Å
83A97.9Very high97.4Very high82 Ų8238 Ų3868%0.67824%0.24SC*.Hα-helixtrans-66.7-41.4175.100000112.6A79 E80 L81 R85A79-A83 WeakPolarHBondContact O-CB 3.42Å; A79-A83 PolarHBondContact O-N 2.69Å; A79-A83 VanDerWaalsContact O-N 3.07Å; E80-A83 PolarHBondContact O-N 3.06Å; L81-A83 VanDerWaalsContact C-N 3.26Å; L81-A83 PolarHBondContact O-N 2.89Å; A83-R85 VanDerWaalsContact C-N 3.32Å
84L98Very high97.4Very high85 Ų8539.1 Ų39.145%0.44525%0.246SC..Hα-helixtrans-73.7-23.8177.2-67.5171.4000112.9L55 E80 L81L55-L84 HydrophobicContact CB-CD1 4.3Å; L55-L84 HydrophobicContact CD1-CD1 4.22Å; E80-L84 HydrophobicContact CG-CD1 3.87Å; E80-L84 HydrophobicContact CG-CG 4.46Å; E80-L84 WeakPolarHBondContact O-CB 3.44Å; E80-L84 VanDerWaalsContact O-CG 3.27Å; E80-L84 WeakPolarHBondContact O-CG 3.2Å; E80-L84 PolarHBondContact O-N 3.21Å; L81-L84 PolarHBondContact O-N 3.21Å
85R96.2Very high97.4Very high38 Ų3838.8 Ų38.814%0.14324%0.244CC..  trans-12974.4-174.2-163.371173.8157.85.2110.8I61 P62 D63 L81 V82 A83 S87 L88I61-R85 HydrophobicContact CD1-CG 4.49Å; I61-R85 PolarHBondContact O-NH2 2.98Å; P62-R85 PolarHBondContact O-NH2 2.85Å; D63-R85 VanDerWaalsContact CA-NH2 3.32Å; D63-R85 IonicContact OD1-CZ 3.25Å; D63-R85 IonicContact OD1-NH1 3.56Å; D63-R85 PolarHBondContact OD1-NH1 3.19Å; D63-R85 IonicContact OD1-NH2 2.75Å; D63-R85 PolarHBondContact OD1-NH2 3.4Å; L81-R85 HydrophobicContact CD1-CB 4.3Å; L81-R85 VanDerWaalsContact O-CB 3.29Å; L81-R85 WeakPolarHBondContact O-CB 3.36Å; L81-R85 PolarHBondContact O-N 3.33Å; V82-R85 CarbonylContact O-C 3.3Å; V82-R85 VanDerWaalsContact O-C 3.3Å; V82-R85 PolarHBondContact O-N 2.55Å; A83-R85 VanDerWaalsContact C-N 3.32Å; R85-S87 PolarHBondContact O-N 2.77Å; R85-L88 HydrophobicContact CB-CD1 3.99Å; R85-L88 HydrophobicContact CB-CG 4.17Å; R85-L88 HydrophobicContact CG-CD1 3.9Å; R85-L88 HydrophobicContact CG-CG 3.78Å; R85-L88 WeakPolarHBondContact O-CB 3.17Å; R85-L88 PolarHBondContact O-N 3.3Å
86S92.7Very high97.4Very high92 Ų9237.8 Ų37.864%0.64324%0.237SC*.G310 helixtrans-56.8-24.3-175.363.50000114.4L88 S89S86-L88 PolarHBondContact O-N 3.12Å; S86-S89 WeakPolarHBondContact O-CB 3.07Å; S86-S89 PolarHBondContact O-N 3.01Å; S86-S89 PolarHBondContact O-OG 2.74Å
87S93.6Very high97.4Very high68 Ų6837.7 Ų37.748%0.47624%0.237SC..G310 helixtrans-59.6-23.3173.158.10000113.8R85 S89R85-S87 PolarHBondContact O-N 2.77Å; S87-S89 VanDerWaalsContact C-N 3.33Å
88L96.8Very high97.3Very high0 Ų037 Ų370%023%0.233CC..G310 helixtrans-83.5-5.8175.9-55.6-179.2000113.6L10 I61 Y67 V70 L81 R85 S86 S90 A91L10-L88 HydrophobicContact CD2-CD1 4.4Å; L10-L88 HydrophobicContact CD2-CD2 4.1Å; I61-L88 HydrophobicContact CD1-CD1 3.97Å; Y67-L88 HydrophobicContact CD2-CD2 3.85Å; Y67-L88 HydrophobicContact CG-CD2 4.46Å; V70-L88 HydrophobicContact CG2-CB 4.33Å; V70-L88 HydrophobicContact CG2-CD1 4.28Å; V70-L88 HydrophobicContact CG2-CD2 3.91Å; V70-L88 HydrophobicContact CG2-CG 4.4Å; L81-L88 HydrophobicContact CD2-CD1 4.01Å; L81-L88 HydrophobicContact CG-CD1 4.03Å; R85-L88 HydrophobicContact CB-CD1 3.99Å; R85-L88 HydrophobicContact CB-CG 4.17Å; R85-L88 HydrophobicContact CG-CD1 3.9Å; R85-L88 HydrophobicContact CG-CG 3.78Å; R85-L88 WeakPolarHBondContact O-CB 3.17Å; R85-L88 PolarHBondContact O-N 3.3Å; S86-L88 PolarHBondContact O-N 3.12Å; L88-S90 PolarHBondContact O-N 2.92Å; L88-A91 WeakPolarHBondContact O-CB 2.97Å; L88-A91 PolarHBondContact O-N 3.19Å
89S95.5Very high97.1Very high60 Ų6040.5 Ų40.542%0.4225%0.249SC..THydrogen-bonded Turntrans-60.1-33.1-173-56.50000113S86 S87 K93S86-S89 WeakPolarHBondContact O-CB 3.07Å; S86-S89 PolarHBondContact O-N 3.01Å; S86-S89 PolarHBondContact O-OG 2.74Å; S87-S89 VanDerWaalsContact C-N 3.33Å; S89-K93 WeakPolarHBondContact O-CE 3.37Å; S89-K93 PolarHBondContact O-NZ 3.27Å
90S95.2Very high96.9Very high109 Ų10939.5 Ų39.576%0.76224%0.24SC*.THydrogen-bonded Turntrans-87.7-9.7-179.866.70000114.2L88L88-S90 PolarHBondContact O-N 2.92Å
91A97.6Very high96.7Very high2 Ų237.8 Ų37.82%0.01723%0.232CC..SBendtrans-73.3145.3179.800000110.8H68 V70 L88 K93H68-A91 WeakPolarHBondContact O-CA 3.48Å; V70-A91 HydrophobicContact CG2-CB 3.82Å; L88-A91 WeakPolarHBondContact O-CB 2.97Å; L88-A91 PolarHBondContact O-N 3.19Å; A91-K93 WeakPolarHBondContact O-CE 3.33Å; A91-K93 PolarHBondContact O-N 3.38Å
92L98.6Very high96.4Very high78 Ų7838.8 Ų38.841%0.40824%0.237SC..EExtended strand (participates in β ladder)trans-63.7120.1166.1178.774.9000108.7H68 T69 V70 V94 D128H68-L92 PolarHBondContact O-N 2.93Å; T69-L92 CarbonylContact C-O 3.52Å; T69-L92 VanDerWaalsContact CA-O 3.27Å; T69-L92 WeakPolarHBondContact CA-O 3.34Å; T69-L92 HydrophobicContact CG2-CB 4.47Å; T69-L92 HydrophobicContact CG2-CD2 4.4Å; V70-L92 PolarHBondContact N-O 3.07Å; L92-V94 HydrophobicContact CD2-CG2 4.39Å; L92-V94 HydrophobicContact CG-CG2 4.4Å; L92-D128 WeakPolarHBondContact CA-OD2 3.37Å; L92-D128 HydrophobicContact CD1-CB 3.54Å; L92-D128 HydrophobicContact CG-CB 4.49Å
93K98.8Very high96Very high20 Ų2041.1 Ų41.19%0.08725%0.251CS..EExtended strand (participates in β ladder)trans-102.1121.7-177.9-58.2126.7-164.31560111.4V70 L78 V82 S89 A91 I126 D128 R129V70-K93 CarbonylContact O-C 3.59Å; V70-K93 WeakPolarHBondContact O-CA 3.44Å; L78-K93 HydrophobicContact CD2-CB 3.92Å; L78-K93 HydrophobicContact CD2-CG 4.49Å; V82-K93 HydrophobicContact CG2-CD 4.49Å; S89-K93 WeakPolarHBondContact O-CE 3.37Å; S89-K93 PolarHBondContact O-NZ 3.27Å; A91-K93 WeakPolarHBondContact O-CE 3.33Å; A91-K93 PolarHBondContact O-N 3.38Å; K93-I126 WeakPolarHBondContact CD-O 3.48Å; K93-D128 PolarHBondContact N-OD2 2.86Å; K93-D128 PolarHBondContact O-N 3.48Å; K93-R129 PolarHBondContact O-N 3.37Å
94V98.9Very high95.2Very high22 Ų2240.6 Ų40.613%0.13323%0.232CC..EExtended strand (participates in β ladder)trans-117.4123.2177.6-173.40000108.4T69 V70 F71 C72 L92 R129 V131T69-V94 HydrophobicContact CG2-CG2 4.37Å; V70-V94 PolarHBondContact O-N 3.45Å; F71-V94 CarbonylContact C-O 3.6Å; F71-V94 VanDerWaalsContact CA-O 3.3Å; F71-V94 WeakPolarHBondContact CA-O 3.38Å; F71-V94 HydrophobicContact CD2-CB 3.94Å; F71-V94 HydrophobicContact CD2-CG1 3.73Å; F71-V94 HydrophobicContact CE2-CG1 4.06Å; C72-V94 PolarHBondContact N-O 3.37Å; L92-V94 HydrophobicContact CD2-CG2 4.39Å; L92-V94 HydrophobicContact CG-CG2 4.4Å; V94-R129 WeakPolarHBondContact CA-O 3.47Å; V94-R129 HydrophobicContact CG1-CB 4.28Å; V94-R129 HydrophobicContact CG2-CB 4.26Å; V94-V131 HydrophobicContact CG1-CG2 3.97Å
95V98.8Very high94Very high0 Ų040.5 Ų40.50%024%0.237CC..EExtended strand (participates in β ladder)trans-109.7131.7171.763.30000109.6C72 F97 A127 R129 V130 V131C72-V95 CarbonylContact O-C 3.57Å; C72-V95 WeakPolarHBondContact O-CA 3.45Å; V95-F97 HydrophobicContact CB-CE2 4.43Å; V95-F97 HydrophobicContact CG1-CD2 4.44Å; V95-F97 HydrophobicContact CG1-CE2 3.84Å; V95-F97 HydrophobicContact CG2-CD2 4.24Å; V95-F97 HydrophobicContact CG2-CE2 3.75Å; V95-A127 HydrophobicContact CG1-CB 3.85Å; V95-R129 PolarHBondContact N-O 3.14Å; V95-V130 HydrophobicContact CG1-CB 4.15Å; V95-V130 HydrophobicContact CG1-CG1 3.96Å; V95-V130 HydrophobicContact CG1-CG2 3.93Å; V95-V131 PolarHBondContact O-N 3.48Å
96Y98.7Very high92.7Very high4 Ų441.6 Ų41.62%0.01625%0.247CC..EExtended strand (participates in β ladder)trans-113.3126.8179.3-174.6-84000111.7M23 F71 C72 S73 S74 H98 V131 N133 L172M23-Y96 HydrophobicContact CE-CD1 3.54Å; M23-Y96 HydrophobicContact CE-CD2 4.19Å; M23-Y96 HydrophobicContact CE-CE1 3.3Å; M23-Y96 HydrophobicContact CE-CE2 3.97Å; M23-Y96 HydrophobicContact CE-CG 3.99Å; M23-Y96 HydrophobicContact SD-CD1 4.15Å; M23-Y96 HydrophobicContact SD-CE1 4.45Å; M23-Y96 HydrophobicContact SD-CG 4.43Å; F71-Y96 HydrophobicContact CZ-CD2 4.3Å; F71-Y96 AromaticContact CZ-CG 3.93Å; F71-Y96 HydrophobicContact CZ-CG 3.93Å; C72-Y96 PolarHBondContact O-N 3.38Å; S73-Y96 CarbonylContact C-O 3.51Å; S73-Y96 WeakPolarHBondContact CA-O 3.47Å; S74-Y96 PolarHBondContact N-O 3.37Å; Y96-H98 AromaticContact CD1-CD2 3.63Å; Y96-H98 AromaticContact CD1-NE2 3.74Å; Y96-H98 AromaticContact CE1-CD2 3.81Å; Y96-H98 AromaticContact CE1-CG 3.98Å; Y96-H98 AromaticContact CE1-NE2 3.84Å; Y96-V131 CarbonylContact C-O 3.58Å; Y96-V131 WeakPolarHBondContact CA-O 3.49Å; Y96-V131 HydrophobicContact CD2-CB 3.89Å; Y96-V131 HydrophobicContact CD2-CG1 3.61Å; Y96-V131 HydrophobicContact CE2-CG1 3.85Å; Y96-N133 HydrophobicContact CE1-CB 4.2Å; Y96-N133 WeakPolarHBondContact OH-CA 3.29Å; Y96-N133 WeakPolarHBondContact OH-CB 3.47Å; Y96-L172 PolarHBondContact OH-O 2.79Å
97F98.5Very high91.1Very high0 Ų044.9 Ų44.90%025%0.253CS..EExtended strand (participates in β ladder)trans-100.3107.2180-76.9-108.7000110.4S74 V95 E99 N100 Q120 C124 V130 V131 F132 N133 N137 F141S74-F97 VanDerWaalsContact CB-CE1 3.41Å; S74-F97 VanDerWaalsContact CB-CG 3.49Å; S74-F97 WeakPolarHBondContact OG-CD1 3.29Å; V95-F97 HydrophobicContact CB-CE2 4.43Å; V95-F97 HydrophobicContact CG1-CD2 4.44Å; V95-F97 HydrophobicContact CG1-CE2 3.84Å; V95-F97 HydrophobicContact CG2-CD2 4.24Å; V95-F97 HydrophobicContact CG2-CE2 3.75Å; F97-E99 VanDerWaalsContact C-N 3.31Å; F97-E99 WeakPolarHBondContact CD1-O 3.49Å; F97-N100 HydrophobicContact CD1-CB 3.85Å; F97-N100 HydrophobicContact CE1-CB 4.19Å; F97-Q120 HydrophobicContact CE1-CB 4.03Å; F97-Q120 HydrophobicContact CE1-CG 4.03Å; F97-Q120 HydrophobicContact CZ-CB 4.1Å; F97-Q120 HydrophobicContact CZ-CG 4.33Å; F97-C124 VanDerWaalsContact CE2-SG 3.53Å; F97-C124 WeakPolarHBondContact CZ-SG 3.48Å; F97-V130 HydrophobicContact CD2-CG1 4.07Å; F97-V130 HydrophobicContact CE2-CG1 3.81Å; F97-V131 PolarHBondContact N-O 3.41Å; F97-F132 HydrophobicContact CB-CD1 3.5Å; F97-F132 VanDerWaalsContact CB-CD1 3.5Å; F97-F132 HydrophobicContact CB-CE1 3.83Å; F97-F132 HydrophobicContact CB-CG 4.21Å; F97-F132 HydrophobicContact CD1-CD1 4.3Å; F97-F132 AromaticContact CD1-CE1 3.76Å; F97-F132 HydrophobicContact CD1-CE1 3.76Å; F97-F132 HydrophobicContact CD2-CD1 4.37Å; F97-F132 AromaticContact CD2-CE1 3.99Å; F97-F132 HydrophobicContact CD2-CE1 3.99Å; F97-F132 HydrophobicContact CD2-CZ 4.21Å; F97-F132 HydrophobicContact CE1-CE1 4.32Å; F97-F132 HydrophobicContact CE2-CZ 4.49Å; F97-F132 AromaticContact CG-CD1 3.83Å; F97-F132 HydrophobicContact CG-CD1 3.83Å; F97-F132 AromaticContact CG-CE1 3.59Å; F97-F132 HydrophobicContact CG-CE1 3.59Å; F97-F132 HydrophobicContact CG-CZ 4.26Å; F97-N133 WeakPolarHBondContact O-CB 3.29Å; F97-N133 PolarHBondContact O-N 3.43Å; F97-N137 PolarHBondContact O-ND2 3.15Å; F97-F141 HydrophobicContact CE1-CD2 4.11Å; F97-F141 AromaticContact CE1-CE2 3.77Å; F97-F141 HydrophobicContact CE1-CE2 3.77Å; F97-F141 HydrophobicContact CE1-CZ 4.31Å; F97-F141 HydrophobicContact CZ-CE2 4.11Å; F97-F141 HydrophobicContact CZ-CZ 4.19Å
98H96.5Very high89.5Confident13 Ų1349.4 Ų49.46%0.0626%0.264CS..SBendtrans-70.1-34.9162-69.3-99.9000111S19 H20 Y96 N133 F174S19-H98 PolarHBondContact OG-ND1 3.46Å; H20-H98 AromaticContact CE1-CD2 3.22Å; H20-H98 PolarHBondContact CE1-CD2 3.4Å; H20-H98 AromaticContact CE1-CG 3.75Å; H20-H98 AromaticContact CE1-NE2 3.77Å; H20-H98 AromaticContact CG-NE2 3.85Å; H20-H98 AromaticContact ND1-CD2 3.52Å; H20-H98 AromaticContact ND1-NE2 3.56Å; H20-H98 AromaticContact NE2-CD2 3.53Å; H20-H98 AromaticContact NE2-CG 3.56Å; Y96-H98 AromaticContact CD1-CD2 3.63Å; Y96-H98 AromaticContact CD1-NE2 3.74Å; Y96-H98 AromaticContact CE1-CD2 3.81Å; Y96-H98 AromaticContact CE1-CG 3.98Å; Y96-H98 AromaticContact CE1-NE2 3.84Å; H98-N133 VanDerWaalsContact O-CG 3.31Å; H98-N133 PolarHBondContact O-ND2 3.11Å; H98-N133 PolarHBondContact O-OD1 3.26Å; H98-F174 AromaticContact CE1-CE2 3.53Å; H98-F174 AromaticContact ND1-CE2 3.91Å
99E93.5Very high87.7Confident73 Ų7355.3 Ų55.334%0.34130%0.295SS..SBendtrans-157.7167.517859.8-172.2-147.700107.9S74 F97 Q101 Y104S74-E99 PolarHBondContact OG-O 3.27Å; F97-E99 VanDerWaalsContact C-N 3.31Å; F97-E99 WeakPolarHBondContact CD1-O 3.49Å; E99-Q101 PolarHBondContact OE1-NE2 3.44Å; E99-Q101 VanDerWaalsContact OE1-NE2 3.12Å; E99-Y104 HydrophobicContact CB-CD2 4.43Å; E99-Y104 HydrophobicContact CB-CE2 4.47Å; E99-Y104 VanDerWaalsContact CD-CE2 3.44Å; E99-Y104 HydrophobicContact CG-CD2 4.46Å; E99-Y104 HydrophobicContact CG-CE2 4.38Å; E99-Y104 VanDerWaalsContact OE2-CE2 3.31Å; E99-Y104 WeakPolarHBondContact OE2-CE2 3.33Å
100N94.8Very high86.2Confident6 Ų657.1 Ų57.13%0.03230%0.3CS..  trans-127138.3176.782.782.2000111.4F97 L102 V103 Y104 N137 S140 F141F97-N100 HydrophobicContact CD1-CB 3.85Å; F97-N100 HydrophobicContact CE1-CB 4.19Å; N100-L102 PolarHBondContact O-N 2.82Å; N100-L102 WeakPolarHBondContact OD1-CB 3.38Å; N100-L102 PolarHBondContact OD1-N 3.18Å; N100-V103 WeakPolarHBondContact OD1-CG2 3.39Å; N100-V103 PolarHBondContact OD1-N 2.96Å; N100-Y104 PolarHBondContact O-N 3.24Å; N100-N137 WeakPolarHBondContact CB-OD1 3.43Å; N100-N137 PolarHBondContact N-OD1 3.1Å; N100-N137 PolarHBondContact ND2-O 2.95Å; N100-N137 PolarHBondContact ND2-OD1 3.2Å; N100-S140 PolarHBondContact ND2-OG 2.85Å; N100-F141 HydrophobicContact CB-CB 4.21Å; N100-F141 HydrophobicContact CB-CD2 3.69Å; N100-F141 HydrophobicContact CB-CG 4.39Å
101Q92.8Very high84.6Confident28 Ų2856.3 Ų56.313%0.13130%0.295CS..THydrogen-bonded Turntrans-82.6-1.2-173.2-61.2-57.3-37.300113E99 F116 S117E99-Q101 PolarHBondContact OE1-NE2 3.44Å; E99-Q101 VanDerWaalsContact OE1-NE2 3.12Å; Q101-F116 HydrophobicContact CB-CB 3.99Å; Q101-F116 HydrophobicContact CG-CB 4.18Å; Q101-S117 PolarHBondContact O-OG 2.98Å
102L93.5Very high82.9Confident21 Ų2158.6 Ų58.611%0.1131%0.31CS..THydrogen-bonded Turntrans-80.5-26.3-179.1-72.264.4000111.7N100 Q120 I121 F141 A144 I145 V148N100-L102 PolarHBondContact O-N 2.82Å; N100-L102 WeakPolarHBondContact OD1-CB 3.38Å; N100-L102 PolarHBondContact OD1-N 3.18Å; L102-Q120 HydrophobicContact CD1-CB 4.27Å; L102-I121 HydrophobicContact CD2-CD1 4.21Å; L102-I121 HydrophobicContact CD2-CG1 4.22Å; L102-F141 HydrophobicContact CD1-CD2 3.59Å; L102-F141 HydrophobicContact CD1-CE2 3.36Å; L102-F141 HydrophobicContact CD1-CZ 4.48Å; L102-F141 HydrophobicContact CD2-CD2 3.68Å; L102-F141 HydrophobicContact CD2-CE2 3.71Å; L102-F141 HydrophobicContact CD2-CG 4.36Å; L102-F141 HydrophobicContact CD2-CZ 4.37Å; L102-F141 HydrophobicContact CG-CD2 4.11Å; L102-F141 HydrophobicContact CG-CE2 4.15Å; L102-A144 HydrophobicContact CB-CB 3.76Å; L102-A144 HydrophobicContact CD2-CB 4.25Å; L102-I145 HydrophobicContact CD2-CG1 3.72Å; L102-V148 HydrophobicContact CB-CG2 4.18Å; L102-V148 HydrophobicContact CD2-CG2 4.33Å; L102-V148 HydrophobicContact CG-CG2 4.01Å
103V89.1Confident81.9Confident62 Ų6256.2 Ų56.238%0.37630%0.298SS..SBendtrans-125.712.1176.4-59.40000112.8N100 A144N100-V103 WeakPolarHBondContact OD1-CG2 3.39Å; N100-V103 PolarHBondContact OD1-N 2.96Å; V103-A144 HydrophobicContact CG1-CB 3.64Å
104Y82.1Confident81.4Confident72 Ų7257.3 Ų57.328%0.28230%0.303SS..  trans-68131.7-179.8-158.7-91.8000110.1E99 N100 V106E99-Y104 HydrophobicContact CB-CD2 4.43Å; E99-Y104 HydrophobicContact CB-CE2 4.47Å; E99-Y104 VanDerWaalsContact CD-CE2 3.44Å; E99-Y104 HydrophobicContact CG-CD2 4.46Å; E99-Y104 HydrophobicContact CG-CE2 4.38Å; E99-Y104 VanDerWaalsContact OE2-CE2 3.31Å; E99-Y104 WeakPolarHBondContact OE2-CE2 3.33Å; N100-Y104 PolarHBondContact O-N 3.24Å; Y104-V106 PolarHBondContact O-N 3.11Å; Y104-V106 VanDerWaalsContact O-N 3.14Å
105P71.7Confident81Confident82 Ų8261.4 Ų61.453%0.53232%0.32SS..  trans-67.6114.1-178.925.6-32000110.3D202P105-D202 HydrophobicContact CG-CB 4.17Å
106V69.1Low80.8Confident61 Ų6161.9 Ų61.937%0.3732%0.322SS..  trans-111.8138.7173.8-68.30000109.8Y104 K108 N109Y104-V106 PolarHBondContact O-N 3.11Å; Y104-V106 VanDerWaalsContact O-N 3.14Å; V106-K108 VanDerWaalsContact C-N 3.3Å; V106-K108 PolarHBondContact O-N 3.41Å; V106-N109 HydrophobicContact CG2-CB 4.37Å
107Q60.2Low80.6Confident162 Ų16262 Ų6276%0.75732%0.323SS*.SBendtrans-69.7-29178.1-67-175.71000112.6H201Q107-H201 PolarHBondContact NE2-CD2 2.92Å; Q107-H201 VanDerWaalsContact NE2-CD2 3.26Å
108K59.6Low80.5Confident162 Ų16267.2 Ų67.270%0.70434%0.344SS*.SBendtrans-134.9119.4176.3-72.5-175.5177.9-179.50108.5V106 D110V106-K108 VanDerWaalsContact C-N 3.3Å; V106-K108 PolarHBondContact O-N 3.41Å; K108-D110 PolarHBondContact O-N 3.12Å
109N59.1Low80.5Confident124 Ų12467.4 Ų67.466%0.66335%0.348SS*.  trans-84.285.3-179.9-163.9-4.7000108.8V106 D113V106-N109 HydrophobicContact CG2-CB 4.37Å; N109-D113 WeakPolarHBondContact CA-OD2 3.4Å
110D62.7Low80.7Confident98 Ų9864.3 Ų64.352%0.52433%0.334SS..  trans-95.2173.6-176.5-81.4-18.5000111.6K108 C112 D113 R151K108-D110 PolarHBondContact O-N 3.12Å; D110-C112 PolarHBondContact O-N 3.18Å; D110-D113 PolarHBondContact N-OD2 2.97Å; D110-D113 VanDerWaalsContact N-OD2 3.11Å; D110-D113 PolarHBondContact O-N 3.29Å; D110-R151 PolarHBondContact O-NH2 2.9Å; D110-R151 VanDerWaalsContact O-NH2 3.1Å
111S61.8Low80.9Confident93 Ų9364.2 Ų64.265%0.6533%0.333SS*.Hα-helixtrans-59.6-26.8174.856.50000112.8D113 F114S111-D113 VanDerWaalsContact C-N 3.31Å; S111-D113 PolarHBondContact O-N 3.32Å; S111-F114 WeakPolarHBondContact O-CB 3.25Å; S111-F114 PolarHBondContact O-N 3.49Å
112C62.9Low81.2Confident50 Ų5064.2 Ų64.234%0.33834%0.335SS..Hα-helixtrans-62.3-34177.6-76.30000113.2R51 D110 F114 Q115 F116R51-C112 PolarHBondContact NH2-SG 2.91Å; D110-C112 PolarHBondContact O-N 3.18Å; C112-F114 VanDerWaalsContact C-N 3.26Å; C112-F114 PolarHBondContact O-N 3.3Å; C112-Q115 PolarHBondContact O-N 3.01Å; C112-Q115 VanDerWaalsContact O-N 3.11Å; C112-F116 WeakPolarHBondContact O-CD2 3.3Å
113D76.8Confident81.4Confident27 Ų2763.2 Ų63.214%0.14433%0.33CS..Hα-helixtrans-69.6-28.2-176.6-59.6-30.8000112.1N109 D110 S111 Q115 F116 S117N109-D113 WeakPolarHBondContact CA-OD2 3.4Å; D110-D113 PolarHBondContact N-OD2 2.97Å; D110-D113 VanDerWaalsContact N-OD2 3.11Å; D110-D113 PolarHBondContact O-N 3.29Å; S111-D113 VanDerWaalsContact C-N 3.31Å; S111-D113 PolarHBondContact O-N 3.32Å; D113-Q115 VanDerWaalsContact C-N 3.29Å; D113-Q115 PolarHBondContact O-N 3.26Å; D113-F116 PolarHBondContact O-N 3.25Å; D113-S117 PolarHBondContact O-N 2.93Å; D113-S117 VanDerWaalsContact O-N 3.17Å; D113-S117 PolarHBondContact O-OG 3.11Å
114F88.7Confident81.9Confident44 Ų4460.3 Ų60.319%0.19331%0.312CS..Hα-helixtrans-60.2-41.6172.1-179.6-108.3000111.6S111 C112 F116 S117 Y118 V148 R151 I152S111-F114 WeakPolarHBondContact O-CB 3.25Å; S111-F114 PolarHBondContact O-N 3.49Å; C112-F114 VanDerWaalsContact C-N 3.26Å; C112-F114 PolarHBondContact O-N 3.3Å; F114-F116 PolarHBondContact O-N 2.96Å; F114-S117 PolarHBondContact O-N 3.15Å; F114-Y118 HydrophobicContact CE1-CD2 4.45Å; F114-Y118 HydrophobicContact CE1-CG 4.41Å; F114-Y118 HydrophobicContact CZ-CD2 4.13Å; F114-Y118 HydrophobicContact CZ-CG 4.45Å; F114-Y118 VanDerWaalsContact O-CB 3.24Å; F114-Y118 WeakPolarHBondContact O-CB 3.13Å; F114-Y118 PolarHBondContact O-N 3.07Å; F114-V148 HydrophobicContact CD2-CG1 3.93Å; F114-V148 HydrophobicContact CE2-CG1 3.9Å; F114-R151 HydrophobicContact CD2-CB 4.03Å; F114-R151 HydrophobicContact CE2-CB 4.09Å; F114-I152 HydrophobicContact CE2-CG1 4.15Å; F114-I152 HydrophobicContact CZ-CD1 4.02Å; F114-I152 HydrophobicContact CZ-CG1 3.59Å
115Q91.3Very high82.6Confident107 Ų10759.7 Ų59.750%0.531%0.313SS..Hα-helixtrans-65.6-39.5-175.9-68.3-175.9-29.300111.6C112 D113 Y118 A119C112-Q115 PolarHBondContact O-N 3.01Å; C112-Q115 VanDerWaalsContact O-N 3.11Å; D113-Q115 VanDerWaalsContact C-N 3.29Å; D113-Q115 PolarHBondContact O-N 3.26Å; Q115-Y118 PolarHBondContact O-N 3.46Å; Q115-A119 VanDerWaalsContact O-CB 3.27Å; Q115-A119 WeakPolarHBondContact O-CB 3.22Å; Q115-A119 PolarHBondContact O-N 3.38Å
116F93.8Very high83.9Confident11 Ų1158.8 Ų58.85%0.04830%0.303CS..Hα-helixtrans-66.3-43.6176.1-56-52.5000111.5W46 P47 A50 R51 Q101 C112 D113 F114 Y118 A119 Q120W46-F116 HydrophobicContact CH2-CD1 4.36Å; W46-F116 AromaticContact CH2-CD2 3.45Å; W46-F116 HydrophobicContact CH2-CD2 3.45Å; W46-F116 VanDerWaalsContact CH2-CD2 3.45Å; W46-F116 HydrophobicContact CH2-CE1 4.37Å; W46-F116 AromaticContact CH2-CE2 3.48Å; W46-F116 HydrophobicContact CH2-CE2 3.48Å; W46-F116 VanDerWaalsContact CH2-CE2 3.48Å; W46-F116 AromaticContact CH2-CG 3.94Å; W46-F116 HydrophobicContact CH2-CG 3.94Å; W46-F116 AromaticContact CH2-CZ 3.98Å; W46-F116 HydrophobicContact CH2-CZ 3.98Å; W46-F116 HydrophobicContact CZ2-CE2 4.36Å; W46-F116 AromaticContact CZ3-CD1 3.81Å; W46-F116 HydrophobicContact CZ3-CD1 3.81Å; W46-F116 AromaticContact CZ3-CD2 3.77Å; W46-F116 HydrophobicContact CZ3-CD2 3.77Å; W46-F116 AromaticContact CZ3-CE1 3.88Å; W46-F116 HydrophobicContact CZ3-CE1 3.88Å; W46-F116 AromaticContact CZ3-CE2 3.85Å; W46-F116 HydrophobicContact CZ3-CE2 3.85Å; W46-F116 AromaticContact CZ3-CG 3.77Å; W46-F116 HydrophobicContact CZ3-CG 3.77Å; W46-F116 AromaticContact CZ3-CZ 3.91Å; W46-F116 HydrophobicContact CZ3-CZ 3.91Å; P47-F116 HydrophobicContact CB-CE1 4.38Å; P47-F116 HydrophobicContact CB-CZ 3.74Å; A50-F116 HydrophobicContact CB-CD1 3.71Å; A50-F116 HydrophobicContact CB-CE1 3.79Å; R51-F116 HydrophobicContact CG-CE1 4.1Å; Q101-F116 HydrophobicContact CB-CB 3.99Å; Q101-F116 HydrophobicContact CG-CB 4.18Å; C112-F116 WeakPolarHBondContact O-CD2 3.3Å; D113-F116 PolarHBondContact O-N 3.25Å; F114-F116 PolarHBondContact O-N 2.96Å; F116-Y118 VanDerWaalsContact C-N 3.34Å; F116-Y118 PolarHBondContact O-N 3.34Å; F116-A119 PolarHBondContact O-N 3.29Å; F116-Q120 WeakPolarHBondContact O-CG 3.46Å; F116-Q120 PolarHBondContact O-N 3.47Å
117S94.8Very high85.3Confident5 Ų555.9 Ų55.94%0.03529%0.286CS..Hα-helixtrans-60.4-45.8175.1-64.30000111.8Q101 D113 F114 Q120 I121Q101-S117 PolarHBondContact O-OG 2.98Å; D113-S117 PolarHBondContact O-N 2.93Å; D113-S117 VanDerWaalsContact O-N 3.17Å; D113-S117 PolarHBondContact O-OG 3.11Å; F114-S117 PolarHBondContact O-N 3.15Å; S117-Q120 PolarHBondContact O-N 2.9Å; S117-I121 VanDerWaalsContact O-CG1 3.29Å; S117-I121 WeakPolarHBondContact O-CG1 3.4Å; S117-I121 PolarHBondContact O-N 3.44Å
118Y95.5Very high87.1Confident110 Ų11051 Ų5143%0.43127%0.265SS..Hα-helixtrans-63.2-44.9178.3-176.9-100.8000111.8F114 Q115 F116 Q120 I121 V122F114-Y118 HydrophobicContact CE1-CD2 4.45Å; F114-Y118 HydrophobicContact CE1-CG 4.41Å; F114-Y118 HydrophobicContact CZ-CD2 4.13Å; F114-Y118 HydrophobicContact CZ-CG 4.45Å; F114-Y118 VanDerWaalsContact O-CB 3.24Å; F114-Y118 WeakPolarHBondContact O-CB 3.13Å; F114-Y118 PolarHBondContact O-N 3.07Å; Q115-Y118 PolarHBondContact O-N 3.46Å; F116-Y118 VanDerWaalsContact C-N 3.34Å; F116-Y118 PolarHBondContact O-N 3.34Å; Y118-Q120 VanDerWaalsContact C-N 3.31Å; Y118-Q120 PolarHBondContact O-N 3.46Å; Y118-I121 WeakPolarHBondContact O-CB 3.49Å; Y118-I121 PolarHBondContact O-N 3.05Å; Y118-I121 VanDerWaalsContact O-N 3.15Å; Y118-V122 HydrophobicContact CD1-CG1 4.31Å; Y118-V122 HydrophobicContact CE1-CG1 3.8Å; Y118-V122 HydrophobicContact CE2-CG1 4.04Å; Y118-V122 WeakPolarHBondContact O-CG2 3.28Å; Y118-V122 PolarHBondContact O-N 3.06Å
119A96.9Very high89Confident18 Ų1850 Ų5015%0.14926%0.256CS..Hα-helixtrans-58.8-41.4176.900000112N77 Q115 F116 V122 S123N77-A119 HydrophobicContact CB-CB 4.42Å; Q115-A119 VanDerWaalsContact O-CB 3.27Å; Q115-A119 WeakPolarHBondContact O-CB 3.22Å; Q115-A119 PolarHBondContact O-N 3.38Å; F116-A119 PolarHBondContact O-N 3.29Å; A119-V122 WeakPolarHBondContact O-CG2 3.1Å; A119-S123 VanDerWaalsContact O-CB 3.24Å; A119-S123 WeakPolarHBondContact O-CB 3.24Å; A119-S123 PolarHBondContact O-N 3.42Å; A119-S123 PolarHBondContact O-OG 2.94Å
120Q98.2Very high90.9Very high8 Ų844.1 Ų44.14%0.03723%0.225CC..Hα-helixtrans-65.7-42.7174.6-72.8-170.8-22.500112.1S74 F97 L102 F116 S117 Y118 S123 C124 F141S74-Q120 WeakPolarHBondContact O-CG 3.36Å; S74-Q120 PolarHBondContact O-NE2 2.75Å; S74-Q120 PolarHBondContact OG-NE2 3.25Å; F97-Q120 HydrophobicContact CE1-CB 4.03Å; F97-Q120 HydrophobicContact CE1-CG 4.03Å; F97-Q120 HydrophobicContact CZ-CB 4.1Å; F97-Q120 HydrophobicContact CZ-CG 4.33Å; L102-Q120 HydrophobicContact CD1-CB 4.27Å; F116-Q120 WeakPolarHBondContact O-CG 3.46Å; F116-Q120 PolarHBondContact O-N 3.47Å; S117-Q120 PolarHBondContact O-N 2.9Å; Y118-Q120 VanDerWaalsContact C-N 3.31Å; Y118-Q120 PolarHBondContact O-N 3.46Å; Q120-S123 PolarHBondContact O-N 2.82Å; Q120-C124 PolarHBondContact O-N 3.36Å; Q120-C124 PolarHBondContact O-SG 3.25Å; Q120-F141 HydrophobicContact CB-CE2 4.07Å
121I98.5Very high92.6Very high3 Ų340.2 Ų40.22%0.01521%0.205CC..Hα-helixtrans-59-51.8176.9-70.1167.3000111L102 S117 Y118 S123 C124 I125 F141 I145 V148 L149 I161 I165L102-I121 HydrophobicContact CD2-CD1 4.21Å; L102-I121 HydrophobicContact CD2-CG1 4.22Å; S117-I121 VanDerWaalsContact O-CG1 3.29Å; S117-I121 WeakPolarHBondContact O-CG1 3.4Å; S117-I121 PolarHBondContact O-N 3.44Å; Y118-I121 WeakPolarHBondContact O-CB 3.49Å; Y118-I121 PolarHBondContact O-N 3.05Å; Y118-I121 VanDerWaalsContact O-N 3.15Å; I121-S123 VanDerWaalsContact C-N 3.3Å; I121-S123 PolarHBondContact O-N 3.03Å; I121-C124 WeakPolarHBondContact O-CB 3.45Å; I121-C124 PolarHBondContact O-N 3.25Å; I121-I125 HydrophobicContact CG2-CD1 4.13Å; I121-I125 WeakPolarHBondContact O-CG1 3.14Å; I121-I125 PolarHBondContact O-N 3.36Å; I121-F141 HydrophobicContact CG1-CZ 4.39Å; I121-I145 HydrophobicContact CD1-CG1 4.26Å; I121-I145 HydrophobicContact CG1-CG1 4.15Å; I121-V148 HydrophobicContact CD1-CG1 4.09Å; I121-L149 HydrophobicContact CD1-CD2 4.13Å; I121-L149 HydrophobicContact CD1-CG 4.36Å; I121-I161 HydrophobicContact CG2-CG2 3.59Å; I121-I165 HydrophobicContact CG2-CD1 4.21Å
122V98.2Very high94.4Very high28 Ų2835.8 Ų35.817%0.1717%0.174CC..Hα-helixtrans-68.2-31.8-178.6-60.30000112.3A79 Y118 A119 C124 I125 I126A79-V122 HydrophobicContact CB-CB 4.23Å; A79-V122 HydrophobicContact CB-CG2 3.99Å; Y118-V122 HydrophobicContact CD1-CG1 4.31Å; Y118-V122 HydrophobicContact CE1-CG1 3.8Å; Y118-V122 HydrophobicContact CE2-CG1 4.04Å; Y118-V122 WeakPolarHBondContact O-CG2 3.28Å; Y118-V122 PolarHBondContact O-N 3.06Å; A119-V122 WeakPolarHBondContact O-CG2 3.1Å; V122-C124 VanDerWaalsContact C-N 3.34Å; V122-I125 PolarHBondContact O-N 3.02Å; V122-I126 PolarHBondContact O-N 3.23Å; V122-I126 VanDerWaalsContact O-N 3.11Å
123S98.7Very high96Very high1 Ų135.3 Ų35.31%0.00717%0.168CC..Hα-helixtrans-62.2-41172.2-63.10000111.7L76 L78 A119 Q120 I121 I126 A127L76-S123 PolarHBondContact O-OG 2.86Å; L78-S123 PolarHBondContact N-OG 3.22Å; A119-S123 VanDerWaalsContact O-CB 3.24Å; A119-S123 WeakPolarHBondContact O-CB 3.24Å; A119-S123 PolarHBondContact O-N 3.42Å; A119-S123 PolarHBondContact O-OG 2.94Å; Q120-S123 PolarHBondContact O-N 2.82Å; I121-S123 VanDerWaalsContact C-N 3.3Å; I121-S123 PolarHBondContact O-N 3.03Å; S123-I126 WeakPolarHBondContact O-CG2 3.47Å; S123-I126 PolarHBondContact O-N 2.84Å; S123-A127 VanDerWaalsContact O-CB 3.3Å; S123-A127 WeakPolarHBondContact O-CB 3.44Å; S123-A127 PolarHBondContact O-N 3.02Å
124C98.8Very high97Very high0 Ų035.5 Ų35.50%017%0.171CC..Hα-helixtrans-66.8-34.9173.9-68.40000112.9F97 Q120 I121 V122 A127 V130 I165F97-C124 VanDerWaalsContact CE2-SG 3.53Å; F97-C124 WeakPolarHBondContact CZ-SG 3.48Å; Q120-C124 PolarHBondContact O-N 3.36Å; Q120-C124 PolarHBondContact O-SG 3.25Å; I121-C124 WeakPolarHBondContact O-CB 3.45Å; I121-C124 PolarHBondContact O-N 3.25Å; V122-C124 VanDerWaalsContact C-N 3.34Å; C124-A127 PolarHBondContact O-N 3.36Å; C124-V130 HydrophobicContact CB-CG1 4.5Å; C124-V130 HydrophobicContact CB-CG2 3.89Å; C124-V130 VanDerWaalsContact SG-CG1 3.58Å; C124-I165 HydrophobicContact CB-CB 4.39Å; C124-I165 HydrophobicContact CB-CD1 3.65Å; C124-I165 HydrophobicContact CB-CG1 3.77Å; C124-I165 HydrophobicContact CB-CG2 3.7Å
125I98.5Very high97.5Very high60 Ų6036.9 Ų36.931%0.30818%0.178SC..Hα-helixtrans-64.4-44.4177.5-68.5169.4000110.8I121 V122 I161 L164 I165 K168I121-I125 HydrophobicContact CG2-CD1 4.13Å; I121-I125 WeakPolarHBondContact O-CG1 3.14Å; I121-I125 PolarHBondContact O-N 3.36Å; V122-I125 PolarHBondContact O-N 3.02Å; I125-I161 HydrophobicContact CD1-CD1 4.17Å; I125-I161 HydrophobicContact CD1-CG2 4.22Å; I125-L164 HydrophobicContact CG1-CD2 4.19Å; I125-L164 HydrophobicContact CG2-CD2 4.33Å; I125-I165 HydrophobicContact CG1-CD1 4.19Å; I125-I165 HydrophobicContact CG1-CG1 4.19Å; I125-K168 PolarHBondContact O-NZ 3.31Å
126I98Very high97.8Very high63 Ų6340.1 Ų40.132%0.32319%0.187SC..Hα-helixtrans-78.6-21.1-179.9-16162.3000113.2L78 A79 V82 K93 V122 S123L78-I126 HydrophobicContact CB-CG2 4.27Å; L78-I126 HydrophobicContact CD2-CG2 3.96Å; L78-I126 HydrophobicContact CG-CG2 3.86Å; A79-I126 HydrophobicContact CB-CB 4.38Å; A79-I126 HydrophobicContact CB-CG2 3.95Å; V82-I126 HydrophobicContact CG1-CG1 4.5Å; K93-I126 WeakPolarHBondContact CD-O 3.48Å; V122-I126 PolarHBondContact O-N 3.23Å; V122-I126 VanDerWaalsContact O-N 3.11Å; S123-I126 WeakPolarHBondContact O-CG2 3.47Å; S123-I126 PolarHBondContact O-N 2.84Å
127A98.7Very high98Very high0 Ų040 Ų400%019%0.187CC..  trans-67.6151.3178.600000112L78 V95 S123 C124 V130 K168L78-A127 HydrophobicContact CD2-CB 4.09Å; V95-A127 HydrophobicContact CG1-CB 3.85Å; S123-A127 VanDerWaalsContact O-CB 3.3Å; S123-A127 WeakPolarHBondContact O-CB 3.44Å; S123-A127 PolarHBondContact O-N 3.02Å; C124-A127 PolarHBondContact O-N 3.36Å; A127-V130 HydrophobicContact CB-CG2 4.15Å; A127-K168 VanDerWaalsContact O-CD 3.29Å; A127-K168 WeakPolarHBondContact O-CD 3.37Å; A127-K168 PolarHBondContact O-NZ 3.12Å
128D98.8Very high98.2Very high59 Ų5940.3 Ų40.332%0.31619%0.189SC..SBendtrans-90.3-29.2170.9-60.8-67.5000111.3L92 K93L92-D128 WeakPolarHBondContact CA-OD2 3.37Å; L92-D128 HydrophobicContact CD1-CB 3.54Å; L92-D128 HydrophobicContact CG-CB 4.49Å; K93-D128 PolarHBondContact N-OD2 2.86Å; K93-D128 PolarHBondContact O-N 3.48Å
129R98.8Very high98.3Very high141 Ų14142.8 Ų42.853%0.53220%0.197SC..EExtended strand (participates in β ladder)trans-136.2134.1174.3-66-65.8-178.3-933.3110.6K93 V94 V95K93-R129 PolarHBondContact O-N 3.37Å; V94-R129 WeakPolarHBondContact CA-O 3.47Å; V94-R129 HydrophobicContact CG1-CB 4.28Å; V94-R129 HydrophobicContact CG2-CB 4.26Å; V95-R129 PolarHBondContact N-O 3.14Å
130V98.9Very high98.4Very high0 Ų042.4 Ų42.40%019%0.194CC..EExtended strand (participates in β ladder)trans-116.8115.4175.9-174.90000107.4V95 F97 C124 A127 F132 I165 K168 C169 A170V95-V130 HydrophobicContact CG1-CB 4.15Å; V95-V130 HydrophobicContact CG1-CG1 3.96Å; V95-V130 HydrophobicContact CG1-CG2 3.93Å; F97-V130 HydrophobicContact CD2-CG1 4.07Å; F97-V130 HydrophobicContact CE2-CG1 3.81Å; C124-V130 HydrophobicContact CB-CG1 4.5Å; C124-V130 HydrophobicContact CB-CG2 3.89Å; C124-V130 VanDerWaalsContact SG-CG1 3.58Å; A127-V130 HydrophobicContact CB-CG2 4.15Å; V130-F132 HydrophobicContact CB-CE2 4.38Å; V130-F132 HydrophobicContact CG1-CD2 4.28Å; V130-F132 HydrophobicContact CG1-CE2 3.41Å; V130-F132 VanDerWaalsContact CG1-CE2 3.41Å; V130-F132 HydrophobicContact CG1-CZ 3.72Å; V130-I165 HydrophobicContact CG2-CG2 4.34Å; V130-K168 HydrophobicContact CG2-CB 4.15Å; V130-K168 PolarHBondContact N-O 3.47Å; V130-C169 CarbonylContact O-C 3.57Å; V130-C169 VanDerWaalsContact O-CA 3.24Å; V130-C169 WeakPolarHBondContact O-CA 3.43Å; V130-A170 PolarHBondContact O-N 3.47Å
131V98.8Very high98.4Very high17 Ų1742 Ų4210%0.10319%0.192CC..EExtended strand (participates in β ladder)trans-114.9130.8-172.4-174.30000109.6V94 V95 Y96 F97 A170 L172V94-V131 HydrophobicContact CG1-CG2 3.97Å; V95-V131 PolarHBondContact O-N 3.48Å; Y96-V131 CarbonylContact C-O 3.58Å; Y96-V131 WeakPolarHBondContact CA-O 3.49Å; Y96-V131 HydrophobicContact CD2-CB 3.89Å; Y96-V131 HydrophobicContact CD2-CG1 3.61Å; Y96-V131 HydrophobicContact CE2-CG1 3.85Å; F97-V131 PolarHBondContact N-O 3.41Å; V131-A170 CarbonylContact C-O 3.48Å; V131-A170 WeakPolarHBondContact CA-O 3.5Å; V131-L172 HydrophobicContact CG1-CB 3.53Å
132F98.7Very high98.4Very high0 Ų042.9 Ų42.90%020%0.196CC..EExtended strand (participates in β ladder)trans-113.5142.6177.8-65.4-93.3000111.1F97 V130 S134 N137 C138 F141 C169 A170 V171 L172F97-F132 HydrophobicContact CB-CD1 3.5Å; F97-F132 VanDerWaalsContact CB-CD1 3.5Å; F97-F132 HydrophobicContact CB-CE1 3.83Å; F97-F132 HydrophobicContact CB-CG 4.21Å; F97-F132 HydrophobicContact CD1-CD1 4.3Å; F97-F132 AromaticContact CD1-CE1 3.76Å; F97-F132 HydrophobicContact CD1-CE1 3.76Å; F97-F132 HydrophobicContact CD2-CD1 4.37Å; F97-F132 AromaticContact CD2-CE1 3.99Å; F97-F132 HydrophobicContact CD2-CE1 3.99Å; F97-F132 HydrophobicContact CD2-CZ 4.21Å; F97-F132 HydrophobicContact CE1-CE1 4.32Å; F97-F132 HydrophobicContact CE2-CZ 4.49Å; F97-F132 AromaticContact CG-CD1 3.83Å; F97-F132 HydrophobicContact CG-CD1 3.83Å; F97-F132 AromaticContact CG-CE1 3.59Å; F97-F132 HydrophobicContact CG-CE1 3.59Å; F97-F132 HydrophobicContact CG-CZ 4.26Å; V130-F132 HydrophobicContact CB-CE2 4.38Å; V130-F132 HydrophobicContact CG1-CD2 4.28Å; V130-F132 HydrophobicContact CG1-CE2 3.41Å; V130-F132 VanDerWaalsContact CG1-CE2 3.41Å; V130-F132 HydrophobicContact CG1-CZ 3.72Å; F132-S134 PolarHBondContact O-N 3.1Å; F132-N137 HydrophobicContact CB-CB 4.42Å; F132-N137 HydrophobicContact CD1-CB 4.17Å; F132-C138 HydrophobicContact CB-CB 3.87Å; F132-C138 HydrophobicContact CD1-CB 4.25Å; F132-C138 HydrophobicContact CD2-CB 3.62Å; F132-C138 HydrophobicContact CE2-CB 4.2Å; F132-C138 HydrophobicContact CG-CB 3.64Å; F132-F141 HydrophobicContact CE1-CB 3.75Å; F132-F141 HydrophobicContact CE1-CD1 4.08Å; F132-F141 HydrophobicContact CE1-CD2 4.46Å; F132-F141 AromaticContact CE1-CG 3.85Å; F132-F141 HydrophobicContact CE1-CG 3.85Å; F132-F141 HydrophobicContact CZ-CB 4.05Å; F132-F141 AromaticContact CZ-CD1 3.59Å; F132-F141 HydrophobicContact CZ-CD1 3.59Å; F132-F141 HydrophobicContact CZ-CE1 4.18Å; F132-F141 AromaticContact CZ-CG 3.86Å; F132-F141 HydrophobicContact CZ-CG 3.86Å; F132-C169 HydrophobicContact CE2-CB 4.33Å; F132-A170 PolarHBondContact N-O 3.17Å; F132-V171 WeakPolarHBondContact O-CA 3.41Å; F132-L172 PolarHBondContact O-N 3.43Å
133N97.6Very high98.4Very high40 Ų4045.6 Ų45.621%0.21422%0.216CC..SBendtrans-68.6-7.6176.574.2-18.9000114.8Y96 F97 H98 N137 L172 Y173 F174Y96-N133 HydrophobicContact CE1-CB 4.2Å; Y96-N133 WeakPolarHBondContact OH-CA 3.29Å; Y96-N133 WeakPolarHBondContact OH-CB 3.47Å; F97-N133 WeakPolarHBondContact O-CB 3.29Å; F97-N133 PolarHBondContact O-N 3.43Å; H98-N133 VanDerWaalsContact O-CG 3.31Å; H98-N133 PolarHBondContact O-ND2 3.11Å; H98-N133 PolarHBondContact O-OD1 3.26Å; N133-N137 WeakPolarHBondContact OD1-CB 3.3Å; N133-N137 PolarHBondContact OD1-ND2 3.23Å; N133-L172 WeakPolarHBondContact CA-O 3.21Å; N133-Y173 WeakPolarHBondContact O-CA 3.02Å; N133-Y173 WeakPolarHBondContact O-CD1 3.4Å; N133-F174 HydrophobicContact CB-CB 4.46Å
134S97.9Very high98.3Very high30 Ų3046 Ų4621%0.2122%0.22CC..SBendtrans-163.6158.5179.762.70000111.8F132 Y136 N137 C138F132-S134 PolarHBondContact O-N 3.1Å; S134-Y136 VanDerWaalsContact C-N 3.31Å; S134-Y136 PolarHBondContact O-N 3.09Å; S134-N137 PolarHBondContact O-N 3.25Å; S134-N137 WeakPolarHBondContact OG-CB 3.3Å; S134-N137 PolarHBondContact OG-N 3.27Å; S134-C138 PolarHBondContact O-N 3.46Å; S134-C138 VanDerWaalsContact O-N 3.16Å
135E98.3Very high98.2Very high73 Ų7346.1 Ų46.134%0.34122%0.22SC..Hα-helixtrans-61.2-40.6173.9-171.764.8-159.800111.9N137 C138 R139 V171E135-N137 PolarHBondContact O-N 3.32Å; E135-C138 PolarHBondContact O-N 3.03Å; E135-R139 HydrophobicContact CG-CG 4.49Å; E135-R139 WeakPolarHBondContact O-CG 3.33Å; E135-R139 PolarHBondContact O-N 3.17Å; E135-R139 IonicContact OE1-CZ 3.83Å; E135-R139 IonicContact OE1-NE 3.04Å; E135-R139 PolarHBondContact OE1-NE 3.04Å; E135-R139 IonicContact OE1-NH2 2.77Å; E135-R139 PolarHBondContact OE1-NH2 2.96Å; E135-V171 WeakPolarHBondContact OE2-CG2 3.24Å
136Y97.9Very high98.1Very high176 Ų17646.2 Ų46.269%0.6923%0.225SC*.Hα-helixtrans-60.9-46.1177.5176.5-96.1000111.5S134 C138 R139 S140S134-Y136 VanDerWaalsContact C-N 3.31Å; S134-Y136 PolarHBondContact O-N 3.09Å; Y136-C138 VanDerWaalsContact C-N 3.32Å; Y136-C138 PolarHBondContact O-N 3.45Å; Y136-R139 PolarHBondContact O-N 3.29Å; Y136-S140 WeakPolarHBondContact O-CB 3.46Å; Y136-S140 PolarHBondContact O-N 2.88Å; Y136-S140 PolarHBondContact O-OG 3.26Å
137N98Very high97.9Very high8 Ų846.8 Ų46.84%0.04323%0.232CC..Hα-helixtrans-61-42.7179-168.713.4000111.1F97 N100 F132 N133 S134 E135 S140 F141F97-N137 PolarHBondContact O-ND2 3.15Å; N100-N137 WeakPolarHBondContact CB-OD1 3.43Å; N100-N137 PolarHBondContact N-OD1 3.1Å; N100-N137 PolarHBondContact ND2-O 2.95Å; N100-N137 PolarHBondContact ND2-OD1 3.2Å; F132-N137 HydrophobicContact CB-CB 4.42Å; F132-N137 HydrophobicContact CD1-CB 4.17Å; N133-N137 WeakPolarHBondContact OD1-CB 3.3Å; N133-N137 PolarHBondContact OD1-ND2 3.23Å; S134-N137 PolarHBondContact O-N 3.25Å; S134-N137 WeakPolarHBondContact OG-CB 3.3Å; S134-N137 PolarHBondContact OG-N 3.27Å; E135-N137 PolarHBondContact O-N 3.32Å; N137-S140 PolarHBondContact O-OG 2.84Å; N137-F141 VanDerWaalsContact O-CB 3.25Å; N137-F141 WeakPolarHBondContact O-CB 3.44Å; N137-F141 PolarHBondContact O-N 3.28Å; N137-F141 VanDerWaalsContact O-N 3.1Å
138C98.6Very high97.7Very high11 Ų1147.4 Ų47.47%0.07424%0.235CC..Hα-helixtrans-62.2-52.6175.8-173.60000112.7F132 S134 E135 Y136 F141 L142 V171F132-C138 HydrophobicContact CB-CB 3.87Å; F132-C138 HydrophobicContact CD1-CB 4.25Å; F132-C138 HydrophobicContact CD2-CB 3.62Å; F132-C138 HydrophobicContact CE2-CB 4.2Å; F132-C138 HydrophobicContact CG-CB 3.64Å; S134-C138 PolarHBondContact O-N 3.46Å; S134-C138 VanDerWaalsContact O-N 3.16Å; E135-C138 PolarHBondContact O-N 3.03Å; Y136-C138 VanDerWaalsContact C-N 3.32Å; Y136-C138 PolarHBondContact O-N 3.45Å; C138-F141 PolarHBondContact O-N 2.63Å; C138-L142 WeakPolarHBondContact O-CG 3.36Å; C138-L142 PolarHBondContact O-N 2.9Å; C138-L142 VanDerWaalsContact O-N 3.07Å; C138-V171 HydrophobicContact CB-CG2 4.04Å
139R98.3Very high97.5Very high163 Ų16345 Ų4562%0.61522%0.222SC*.Hα-helixtrans-66.5-44.8-177-70-175.6-174.41734.8112.4E135 Y136 F141 L142 S143E135-R139 HydrophobicContact CG-CG 4.49Å; E135-R139 WeakPolarHBondContact O-CG 3.33Å; E135-R139 PolarHBondContact O-N 3.17Å; E135-R139 IonicContact OE1-CZ 3.83Å; E135-R139 IonicContact OE1-NE 3.04Å; E135-R139 PolarHBondContact OE1-NE 3.04Å; E135-R139 IonicContact OE1-NH2 2.77Å; E135-R139 PolarHBondContact OE1-NH2 2.96Å; Y136-R139 PolarHBondContact O-N 3.29Å; R139-F141 VanDerWaalsContact C-N 3.32Å; R139-F141 PolarHBondContact O-N 3.28Å; R139-L142 PolarHBondContact O-N 2.8Å; R139-S143 VanDerWaalsContact O-CB 3.32Å; R139-S143 WeakPolarHBondContact O-CB 3.27Å; R139-S143 PolarHBondContact O-N 2.85Å; R139-S143 PolarHBondContact O-OG 3.07Å
140S98.1Very high97.3Very high10 Ų1044.7 Ų44.77%0.0722%0.221CC..Hα-helixtrans-61.1-42.7178.761.10000111.2N100 Y136 N137 S143 A144N100-S140 PolarHBondContact ND2-OG 2.85Å; Y136-S140 WeakPolarHBondContact O-CB 3.46Å; Y136-S140 PolarHBondContact O-N 2.88Å; Y136-S140 PolarHBondContact O-OG 3.26Å; N137-S140 PolarHBondContact O-OG 2.84Å; S140-S143 PolarHBondContact O-OG 3.36Å; S140-A144 VanDerWaalsContact O-CB 3.24Å; S140-A144 WeakPolarHBondContact O-CB 3.48Å; S140-A144 PolarHBondContact O-N 2.82Å
141F98.4Very high96.9Very high0 Ų050 Ų500%024%0.241CC..Hα-helixtrans-57.3-56.4173.3179.5-99.1000112F97 N100 L102 Q120 I121 F132 N137 C138 R139 S143 A144 I145 I165F97-F141 HydrophobicContact CE1-CD2 4.11Å; F97-F141 AromaticContact CE1-CE2 3.77Å; F97-F141 HydrophobicContact CE1-CE2 3.77Å; F97-F141 HydrophobicContact CE1-CZ 4.31Å; F97-F141 HydrophobicContact CZ-CE2 4.11Å; F97-F141 HydrophobicContact CZ-CZ 4.19Å; N100-F141 HydrophobicContact CB-CB 4.21Å; N100-F141 HydrophobicContact CB-CD2 3.69Å; N100-F141 HydrophobicContact CB-CG 4.39Å; L102-F141 HydrophobicContact CD1-CD2 3.59Å; L102-F141 HydrophobicContact CD1-CE2 3.36Å; L102-F141 HydrophobicContact CD1-CZ 4.48Å; L102-F141 HydrophobicContact CD2-CD2 3.68Å; L102-F141 HydrophobicContact CD2-CE2 3.71Å; L102-F141 HydrophobicContact CD2-CG 4.36Å; L102-F141 HydrophobicContact CD2-CZ 4.37Å; L102-F141 HydrophobicContact CG-CD2 4.11Å; L102-F141 HydrophobicContact CG-CE2 4.15Å; Q120-F141 HydrophobicContact CB-CE2 4.07Å; I121-F141 HydrophobicContact CG1-CZ 4.39Å; F132-F141 HydrophobicContact CE1-CB 3.75Å; F132-F141 HydrophobicContact CE1-CD1 4.08Å; F132-F141 HydrophobicContact CE1-CD2 4.46Å; F132-F141 AromaticContact CE1-CG 3.85Å; F132-F141 HydrophobicContact CE1-CG 3.85Å; F132-F141 HydrophobicContact CZ-CB 4.05Å; F132-F141 AromaticContact CZ-CD1 3.59Å; F132-F141 HydrophobicContact CZ-CD1 3.59Å; F132-F141 HydrophobicContact CZ-CE1 4.18Å; F132-F141 AromaticContact CZ-CG 3.86Å; F132-F141 HydrophobicContact CZ-CG 3.86Å; N137-F141 VanDerWaalsContact O-CB 3.25Å; N137-F141 WeakPolarHBondContact O-CB 3.44Å; N137-F141 PolarHBondContact O-N 3.28Å; N137-F141 VanDerWaalsContact O-N 3.1Å; C138-F141 PolarHBondContact O-N 2.63Å; R139-F141 VanDerWaalsContact C-N 3.32Å; R139-F141 PolarHBondContact O-N 3.28Å; F141-S143 VanDerWaalsContact C-N 3.34Å; F141-S143 PolarHBondContact O-N 2.93Å; F141-A144 PolarHBondContact O-N 2.93Å; F141-I145 HydrophobicContact CD1-CD1 4.12Å; F141-I145 HydrophobicContact CE1-CD1 3.77Å; F141-I145 HydrophobicContact CE1-CG1 4.39Å; F141-I145 HydrophobicContact CZ-CD1 4.39Å; F141-I145 WeakPolarHBondContact O-CG1 3.41Å; F141-I145 PolarHBondContact O-N 3.04Å; F141-I165 HydrophobicContact CE1-CD1 4.44Å; F141-I165 HydrophobicContact CE1-CG2 4.18Å
142L98.6Very high96.7Very high21 Ų2150.6 Ų50.611%0.1124%0.244CC..Hα-helixtrans-60.5-42.7-176.6-69.9172.8000112.3C138 R139 A144 I145 I165 E166C138-L142 WeakPolarHBondContact O-CG 3.36Å; C138-L142 PolarHBondContact O-N 2.9Å; C138-L142 VanDerWaalsContact O-N 3.07Å; R139-L142 PolarHBondContact O-N 2.8Å; L142-A144 VanDerWaalsContact C-N 3.31Å; L142-A144 PolarHBondContact O-N 3.44Å; L142-I145 HydrophobicContact CD2-CD1 4.22Å; L142-I145 PolarHBondContact O-N 3.3Å; L142-I165 HydrophobicContact CD2-CB 4.32Å; L142-I165 HydrophobicContact CD2-CG2 4.1Å; L142-E166 HydrophobicContact CD1-CB 4.04Å; L142-E166 HydrophobicContact CD1-CG 3.92Å; L142-E166 HydrophobicContact CD2-CB 4.11Å
143S97.9Very high96.5Very high84 Ų8454.9 Ų54.959%0.58727%0.272SS*.Hα-helixtrans-69-27.1179.469.50000113.6R139 S140 F141 P146R139-S143 VanDerWaalsContact O-CB 3.32Å; R139-S143 WeakPolarHBondContact O-CB 3.27Å; R139-S143 PolarHBondContact O-N 2.85Å; R139-S143 PolarHBondContact O-OG 3.07Å; S140-S143 PolarHBondContact O-OG 3.36Å; F141-S143 VanDerWaalsContact C-N 3.34Å; F141-S143 PolarHBondContact O-N 2.93Å; S143-P146 WeakPolarHBondContact O-CD 3.24Å
144A96.9Very high96.3Very high10 Ų1060.9 Ų60.98%0.08330%0.296CS..Hα-helixtrans-81.9-22.6179.900000113.4L102 V103 S140 F141 L142 T147 V148L102-A144 HydrophobicContact CB-CB 3.76Å; L102-A144 HydrophobicContact CD2-CB 4.25Å; V103-A144 HydrophobicContact CG1-CB 3.64Å; S140-A144 VanDerWaalsContact O-CB 3.24Å; S140-A144 WeakPolarHBondContact O-CB 3.48Å; S140-A144 PolarHBondContact O-N 2.82Å; F141-A144 PolarHBondContact O-N 2.93Å; L142-A144 VanDerWaalsContact C-N 3.31Å; L142-A144 PolarHBondContact O-N 3.44Å; A144-T147 WeakPolarHBondContact O-CA 3.43Å; A144-T147 WeakPolarHBondContact O-CB 3.36Å; A144-T147 PolarHBondContact O-N 2.79Å; A144-V148 PolarHBondContact O-N 3.25Å
145I97.8Very high96.1Very high2 Ų267.8 Ų67.81%0.0133%0.325CS..Hα-helixtrans-49.9-52.5-178.2-74.2168.4000112.6L102 I121 F141 L142 T147 V148 L149 I161 A162 I165L102-I145 HydrophobicContact CD2-CG1 3.72Å; I121-I145 HydrophobicContact CD1-CG1 4.26Å; I121-I145 HydrophobicContact CG1-CG1 4.15Å; F141-I145 HydrophobicContact CD1-CD1 4.12Å; F141-I145 HydrophobicContact CE1-CD1 3.77Å; F141-I145 HydrophobicContact CE1-CG1 4.39Å; F141-I145 HydrophobicContact CZ-CD1 4.39Å; F141-I145 WeakPolarHBondContact O-CG1 3.41Å; F141-I145 PolarHBondContact O-N 3.04Å; L142-I145 HydrophobicContact CD2-CD1 4.22Å; L142-I145 PolarHBondContact O-N 3.3Å; I145-T147 PolarHBondContact O-N 2.8Å; I145-V148 PolarHBondContact O-N 3.07Å; I145-L149 HydrophobicContact CG2-CD1 3.56Å; I145-L149 HydrophobicContact CG2-CG 4.23Å; I145-L149 WeakPolarHBondContact O-CB 3.15Å; I145-L149 VanDerWaalsContact O-CG 3.29Å; I145-L149 WeakPolarHBondContact O-CG 3.4Å; I145-L149 PolarHBondContact O-N 3.2Å; I145-I161 HydrophobicContact CG2-CB 3.95Å; I145-I161 HydrophobicContact CG2-CG2 3.86Å; I145-A162 HydrophobicContact CB-CB 4.27Å; I145-A162 HydrophobicContact CD1-CB 4.19Å; I145-A162 HydrophobicContact CG2-CB 4.28Å; I145-I165 HydrophobicContact CD1-CD1 3.89Å
146P95.9Very high95.8Very high62 Ų6267 Ų6740%0.40334%0.336SS..Hα-helixtrans-59.6-36.1179.9-2434.8000112.5S143 R150S143-P146 WeakPolarHBondContact O-CD 3.24Å; P146-R150 WeakPolarHBondContact O-CG 3.47Å; P146-R150 PolarHBondContact O-N 2.77Å; P146-R150 VanDerWaalsContact O-N 3.11Å; P146-R150 PolarHBondContact O-NH1 2.99Å
147T93.9Very high95.7Very high76 Ų7662.5 Ų62.547%0.46632%0.318SS..Hα-helixtrans-67.8-45.4179.2-61.40000112.2A144 I145 R150A144-T147 WeakPolarHBondContact O-CA 3.43Å; A144-T147 WeakPolarHBondContact O-CB 3.36Å; A144-T147 PolarHBondContact O-N 2.79Å; I145-T147 PolarHBondContact O-N 2.8Å; T147-R150 VanDerWaalsContact CA-CZ 3.45Å; T147-R150 PolarHBondContact O-N 2.87Å; T147-R150 PolarHBondContact OG1-NH2 3.07Å
148V93.2Very high95.6Very high12 Ų1264.6 Ų64.67%0.07333%0.332CS..Hα-helixtrans-61.9-46.6175.7170.30000110.7L102 F114 I121 A144 I145 R150 R151L102-V148 HydrophobicContact CB-CG2 4.18Å; L102-V148 HydrophobicContact CD2-CG2 4.33Å; L102-V148 HydrophobicContact CG-CG2 4.01Å; F114-V148 HydrophobicContact CD2-CG1 3.93Å; F114-V148 HydrophobicContact CE2-CG1 3.9Å; I121-V148 HydrophobicContact CD1-CG1 4.09Å; A144-V148 PolarHBondContact O-N 3.25Å; I145-V148 PolarHBondContact O-N 3.07Å; V148-R150 PolarHBondContact O-N 3.03Å; V148-R151 WeakPolarHBondContact O-CB 3.35Å; V148-R151 WeakPolarHBondContact O-CG 3.48Å; V148-R151 PolarHBondContact O-N 3.46Å; V148-R151 VanDerWaalsContact O-N 3.09Å
149L95.4Very high95.4Very high8 Ų870.1 Ų70.14%0.04236%0.36CS..Hα-helixtrans-68.8-18.4-178.1-64.3175.4000113.4I121 I145 R151 I152 R157 P158 I161I121-L149 HydrophobicContact CD1-CD2 4.13Å; I121-L149 HydrophobicContact CD1-CG 4.36Å; I145-L149 HydrophobicContact CG2-CD1 3.56Å; I145-L149 HydrophobicContact CG2-CG 4.23Å; I145-L149 WeakPolarHBondContact O-CB 3.15Å; I145-L149 VanDerWaalsContact O-CG 3.29Å; I145-L149 WeakPolarHBondContact O-CG 3.4Å; I145-L149 PolarHBondContact O-N 3.2Å; L149-R151 PolarHBondContact O-N 3.03Å; L149-I152 HydrophobicContact CD2-CD1 3.65Å; L149-I152 WeakPolarHBondContact O-CB 3.29Å; L149-I152 PolarHBondContact O-N 2.93Å; L149-R157 PolarHBondContact O-NE 2.93Å; L149-P158 HydrophobicContact CD1-CG 4.13Å; L149-P158 HydrophobicContact CD2-CG 4.18Å; L149-I161 HydrophobicContact CD1-CB 3.81Å; L149-I161 HydrophobicContact CD1-CG1 3.77Å; L149-I161 HydrophobicContact CD1-CG2 4.21Å
150R94Very high95.3Very high135 Ų13568.9 Ų68.951%0.50937%0.366SS..THydrogen-bonded Turntrans-62.8-18.3170.6-79.6-169.7-56-878.2113.4P146 T147 V148 I152 R157P146-R150 WeakPolarHBondContact O-CG 3.47Å; P146-R150 PolarHBondContact O-N 2.77Å; P146-R150 VanDerWaalsContact O-N 3.11Å; P146-R150 PolarHBondContact O-NH1 2.99Å; T147-R150 VanDerWaalsContact CA-CZ 3.45Å; T147-R150 PolarHBondContact O-N 2.87Å; T147-R150 PolarHBondContact OG1-NH2 3.07Å; V148-R150 PolarHBondContact O-N 3.03Å; R150-I152 PolarHBondContact O-N 2.83Å; R150-R157 PolarHBondContact O-NH2 2.9Å
151R91.8Very high95.3Very high111 Ų11169.4 Ų69.442%0.41937%0.368SS..THydrogen-bonded Turntrans-71.2-19172.8-62.6172.168.6166.96112.8D110 F114 V148 L149D110-R151 PolarHBondContact O-NH2 2.9Å; D110-R151 VanDerWaalsContact O-NH2 3.1Å; F114-R151 HydrophobicContact CD2-CB 4.03Å; F114-R151 HydrophobicContact CE2-CB 4.09Å; V148-R151 WeakPolarHBondContact O-CB 3.35Å; V148-R151 WeakPolarHBondContact O-CG 3.48Å; V148-R151 PolarHBondContact O-N 3.46Å; V148-R151 VanDerWaalsContact O-N 3.09Å; L149-R151 PolarHBondContact O-N 3.03Å
152I93.3Very high95.3Very high31 Ų3170.5 Ų70.516%0.15938%0.377CS..SBendtrans-77136.1173.8-55.9175000108.8F114 L149 R150 R157F114-I152 HydrophobicContact CE2-CG1 4.15Å; F114-I152 HydrophobicContact CZ-CD1 4.02Å; F114-I152 HydrophobicContact CZ-CG1 3.59Å; L149-I152 HydrophobicContact CD2-CD1 3.65Å; L149-I152 WeakPolarHBondContact O-CB 3.29Å; L149-I152 PolarHBondContact O-N 2.93Å; R150-I152 PolarHBondContact O-N 2.83Å; I152-R157 PolarHBondContact O-NE 3.24Å; I152-R157 VanDerWaalsContact O-NE 3.1Å; I152-R157 PolarHBondContact O-NH2 2.72Å
153P94.8Very high95.3Very high90 Ų9072 Ų7258%0.58439%0.393SS*.  trans-49.6147.9171.1-28.135.8000112.6E155 G156 R157P153-E155 VanDerWaalsContact C-N 3.29Å; P153-E155 PolarHBondContact O-N 3.46Å; P153-G156 PolarHBondContact O-N 3.5Å; P153-R157 PolarHBondContact O-N 2.7Å
154K94.4Very high95.3Very high166 Ų16672 Ų7272%0.72239%0.385SS*.G310 helixtrans-61.7-36.8-167.3-172.1179.9176.3-175.30112.4G156 R157K154-G156 VanDerWaalsContact C-N 3.26Å; K154-G156 PolarHBondContact O-N 2.97Å; K154-R157 PolarHBondContact O-N 3.35Å
155E92.7Very high95.4Very high175 Ų17571.5 Ų71.582%0.81838%0.381SS*.G310 helixtrans-66.5-26.3-175.8-6170.5-152.600112.8P153P153-E155 VanDerWaalsContact C-N 3.29Å; P153-E155 PolarHBondContact O-N 3.46Å
156G91.8Very high95.5Very high56 Ų5677 Ų7758%0.57741%0.407SS*.G310 helixtrans-1137.1179.900000114.2P153 K154 P158P153-G156 PolarHBondContact O-N 3.5Å; K154-G156 VanDerWaalsContact C-N 3.26Å; K154-G156 PolarHBondContact O-N 2.97Å; G156-P158 WeakPolarHBondContact O-CD 3.24Å
157R96.1Very high95.6Very high82 Ų8280 Ų8031%0.30942%0.424SS..  trans-76.3119.8-173.7-171.9179.4-58.9155.30.8110.8L149 R150 I152 P153 K154L149-R157 PolarHBondContact O-NE 2.93Å; R150-R157 PolarHBondContact O-NH2 2.9Å; I152-R157 PolarHBondContact O-NE 3.24Å; I152-R157 VanDerWaalsContact O-NE 3.1Å; I152-R157 PolarHBondContact O-NH2 2.72Å; P153-R157 PolarHBondContact O-N 2.7Å; K154-R157 PolarHBondContact O-N 3.35Å
158P95.6Very high95.8Very high51 Ų5178.4 Ų78.433%0.33141%0.411SS..  trans-75.3151.4177.631-32.9000111.3L149 G156 I161L149-P158 HydrophobicContact CD1-CG 4.13Å; L149-P158 HydrophobicContact CD2-CG 4.18Å; G156-P158 WeakPolarHBondContact O-CD 3.24Å; P158-I161 HydrophobicContact CB-CD1 3.91Å; P158-I161 HydrophobicContact CB-CG1 3.8Å; P158-I161 HydrophobicContact CG-CD1 4.42Å; P158-I161 HydrophobicContact CG-CG1 3.95Å
159N94.8Very high96.1Very high127 Ų12779.3 Ų79.368%0.67942%0.417SS*.  trans-113161.2178.7-63.4-53000110.8I161N159-I161 PolarHBondContact O-N 3.11Å
160N96.6Very high96.2Very high138 Ų13881.2 Ų81.274%0.73843%0.434SS*.SBendtrans57.119.4174.6-60.2-22.7000115.9A162 A163 L164N160-A162 VanDerWaalsContact C-N 3.34Å; N160-A162 PolarHBondContact O-N 3.22Å; N160-A163 PolarHBondContact O-N 2.99Å; N160-L164 PolarHBondContact O-N 3.35Å
161I98.4Very high96.5Very high21 Ų2177 Ų7711%0.10842%0.423CS..Hα-helixtrans-63.9-37.3-179.2-62.4-56.3000112.3I121 I125 I145 L149 P158 N159 L164 I165I121-I161 HydrophobicContact CG2-CG2 3.59Å; I125-I161 HydrophobicContact CD1-CD1 4.17Å; I125-I161 HydrophobicContact CD1-CG2 4.22Å; I145-I161 HydrophobicContact CG2-CB 3.95Å; I145-I161 HydrophobicContact CG2-CG2 3.86Å; L149-I161 HydrophobicContact CD1-CB 3.81Å; L149-I161 HydrophobicContact CD1-CG1 3.77Å; L149-I161 HydrophobicContact CD1-CG2 4.21Å; P158-I161 HydrophobicContact CB-CD1 3.91Å; P158-I161 HydrophobicContact CB-CG1 3.8Å; P158-I161 HydrophobicContact CG-CD1 4.42Å; P158-I161 HydrophobicContact CG-CG1 3.95Å; N159-I161 PolarHBondContact O-N 3.11Å; I161-L164 HydrophobicContact CD1-CD2 4.33Å; I161-L164 PolarHBondContact O-N 2.99Å; I161-I165 HydrophobicContact CG2-CD1 3.82Å; I161-I165 WeakPolarHBondContact O-CG1 3.27Å; I161-I165 PolarHBondContact O-N 2.94Å; I161-I165 VanDerWaalsContact O-N 3.12Å
162A98.4Very high96.7Very high23 Ų2377.1 Ų77.119%0.1943%0.431CS..Hα-helixtrans-60.9-50.1176.900000111.5I145 N160 L164 I165 E166I145-A162 HydrophobicContact CB-CB 4.27Å; I145-A162 HydrophobicContact CD1-CB 4.19Å; I145-A162 HydrophobicContact CG2-CB 4.28Å; N160-A162 VanDerWaalsContact C-N 3.34Å; N160-A162 PolarHBondContact O-N 3.22Å; A162-L164 VanDerWaalsContact C-N 3.32Å; A162-L164 PolarHBondContact O-N 3.05Å; A162-I165 PolarHBondContact O-N 3.19Å; A162-I165 VanDerWaalsContact O-N 3.15Å; A162-E166 WeakPolarHBondContact O-CB 3.49Å; A162-E166 PolarHBondContact O-N 3.15Å
163A98.4Very high96.9Very high53 Ų5383 Ų8344%0.43845%0.453SS..Hα-helixtrans-62.6-37.4177.700000112.6N160 I165 E166N160-A163 PolarHBondContact O-N 2.99Å; A163-I165 VanDerWaalsContact C-N 3.27Å; A163-I165 PolarHBondContact O-N 3.41Å; A163-E166 PolarHBondContact O-N 3.39Å
164L98.3Very high96.9Very high83 Ų8380.8 Ų80.844%0.43543%0.434SS..Hα-helixtrans-60.8-35.9175.4176.864000112.5I125 N160 I161 A162I125-L164 HydrophobicContact CG1-CD2 4.19Å; I125-L164 HydrophobicContact CG2-CD2 4.33Å; N160-L164 PolarHBondContact O-N 3.35Å; I161-L164 HydrophobicContact CD1-CD2 4.33Å; I161-L164 PolarHBondContact O-N 2.99Å; A162-L164 VanDerWaalsContact C-N 3.32Å; A162-L164 PolarHBondContact O-N 3.05Å
165I98.7Very high96.6Very high0 Ų075.5 Ų75.50%042%0.417CS..Hα-helixtrans-84.5-39.4179.9-68.6166.2000111.1I121 C124 I125 V130 F141 L142 I145 I161 A162 A163 V167 K168 C169I121-I165 HydrophobicContact CG2-CD1 4.21Å; C124-I165 HydrophobicContact CB-CB 4.39Å; C124-I165 HydrophobicContact CB-CD1 3.65Å; C124-I165 HydrophobicContact CB-CG1 3.77Å; C124-I165 HydrophobicContact CB-CG2 3.7Å; I125-I165 HydrophobicContact CG1-CD1 4.19Å; I125-I165 HydrophobicContact CG1-CG1 4.19Å; V130-I165 HydrophobicContact CG2-CG2 4.34Å; F141-I165 HydrophobicContact CE1-CD1 4.44Å; F141-I165 HydrophobicContact CE1-CG2 4.18Å; L142-I165 HydrophobicContact CD2-CB 4.32Å; L142-I165 HydrophobicContact CD2-CG2 4.1Å; I145-I165 HydrophobicContact CD1-CD1 3.89Å; I161-I165 HydrophobicContact CG2-CD1 3.82Å; I161-I165 WeakPolarHBondContact O-CG1 3.27Å; I161-I165 PolarHBondContact O-N 2.94Å; I161-I165 VanDerWaalsContact O-N 3.12Å; A162-I165 PolarHBondContact O-N 3.19Å; A162-I165 VanDerWaalsContact O-N 3.15Å; A163-I165 VanDerWaalsContact C-N 3.27Å; A163-I165 PolarHBondContact O-N 3.41Å; I165-V167 VanDerWaalsContact C-N 3.28Å; I165-V167 PolarHBondContact O-N 3.04Å; I165-K168 WeakPolarHBondContact O-CB 3.41Å; I165-K168 PolarHBondContact O-N 3.38Å; I165-C169 PolarHBondContact O-SG 3.46Å; I165-C169 VanDerWaalsContact O-SG 3.38Å
166E98.7Very high96.3Very high116 Ų11672.3 Ų72.354%0.54240%0.404SS..Hα-helixtrans-53.2-40.7-174.5-178.4171.6-154.300113.3L142 A162 A163 K168 C169L142-E166 HydrophobicContact CD1-CB 4.04Å; L142-E166 HydrophobicContact CD1-CG 3.92Å; L142-E166 HydrophobicContact CD2-CB 4.11Å; A162-E166 WeakPolarHBondContact O-CB 3.49Å; A162-E166 PolarHBondContact O-N 3.15Å; A163-E166 PolarHBondContact O-N 3.39Å; E166-K168 PolarHBondContact O-N 2.85Å; E166-C169 WeakPolarHBondContact O-CB 3.21Å; E166-C169 PolarHBondContact O-N 3.17Å
167V98.4Very high95.7Very high125 Ų12575.5 Ų75.576%0.75841%0.412SS*.THydrogen-bonded Turntrans-63.2-12.3178.9-590000114.1I165I165-V167 VanDerWaalsContact C-N 3.28Å; I165-V167 PolarHBondContact O-N 3.04Å
168K98.7Very high95Very high44 Ų4478.9 Ų78.919%0.19143%0.429CS..THydrogen-bonded Turntrans-105.6-6.9178.9-47.1-178.1-178.7-172.20112.6I125 A127 V130 I165 E166I125-K168 PolarHBondContact O-NZ 3.31Å; A127-K168 VanDerWaalsContact O-CD 3.29Å; A127-K168 WeakPolarHBondContact O-CD 3.37Å; A127-K168 PolarHBondContact O-NZ 3.12Å; V130-K168 HydrophobicContact CG2-CB 4.15Å; V130-K168 PolarHBondContact N-O 3.47Å; I165-K168 WeakPolarHBondContact O-CB 3.41Å; I165-K168 PolarHBondContact O-N 3.38Å; E166-K168 PolarHBondContact O-N 2.85Å
169C98.8Very high94.3Very high31 Ų3180.6 Ų80.621%0.20944%0.44CS..EExtended strand (participates in β ladder)trans-77.3140.2-173.5-690000111.7V130 F132 I165 E166V130-C169 CarbonylContact O-C 3.57Å; V130-C169 VanDerWaalsContact O-CA 3.24Å; V130-C169 WeakPolarHBondContact O-CA 3.43Å; F132-C169 HydrophobicContact CE2-CB 4.33Å; I165-C169 PolarHBondContact O-SG 3.46Å; I165-C169 VanDerWaalsContact O-SG 3.38Å; E166-C169 WeakPolarHBondContact O-CB 3.21Å; E166-C169 PolarHBondContact O-N 3.17Å
170A98.6Very high93.7Very high48 Ų4881 Ų8140%0.39745%0.45SS..EExtended strand (participates in β ladder)trans-141.8153.5167.900000109.6V130 V131 F132V130-A170 PolarHBondContact O-N 3.47Å; V131-A170 CarbonylContact C-O 3.48Å; V131-A170 WeakPolarHBondContact CA-O 3.5Å; F132-A170 PolarHBondContact N-O 3.17Å
171V98.7Very high92.9Very high47 Ų4781.2 Ų81.229%0.28545%0.45SS..EExtended strand (participates in β ladder)trans-104.8123.6172.4176.30000108.9F132 E135 C138 Y173F132-V171 WeakPolarHBondContact O-CA 3.41Å; E135-V171 WeakPolarHBondContact OE2-CG2 3.24Å; C138-V171 HydrophobicContact CB-CG2 4.04Å; V171-Y173 HydrophobicContact CG1-CD1 4.48Å; V171-Y173 HydrophobicContact CG1-CE1 4.15Å; V171-Y173 HydrophobicContact CG1-CE2 4.44Å
172L97.7Very high92Very high112 Ų11285 Ų8559%0.58648%0.479SS*.  trans-130.8108.6170.6-179.263.3000107.4Y96 V131 F132 N133Y96-L172 PolarHBondContact OH-O 2.79Å; V131-L172 HydrophobicContact CG1-CB 3.53Å; F132-L172 PolarHBondContact O-N 3.43Å; N133-L172 WeakPolarHBondContact CA-O 3.21Å
173Y96.7Very high90.8Very high156 Ų15690.8 Ų90.861%0.61251%0.512SS*.PPolyproline II helixtrans-58.8146.8-178.4-63.6-71.4000111.7N133 V171N133-Y173 WeakPolarHBondContact O-CA 3.02Å; N133-Y173 WeakPolarHBondContact O-CD1 3.4Å; V171-Y173 HydrophobicContact CG1-CD1 4.48Å; V171-Y173 HydrophobicContact CG1-CE1 4.15Å; V171-Y173 HydrophobicContact CG1-CE2 4.44Å
174F94.2Very high89.5Confident42 Ų4293.9 Ų93.918%0.18453%0.525CS..PPolyproline II helixtrans-60.9128.1-179.9-171.3-100.4000110.2S19 Q22 M23 H98 N133 I176S19-F174 WeakPolarHBondContact O-CE2 3.22Å; S19-F174 VanDerWaalsContact O-CZ 3.23Å; S19-F174 WeakPolarHBondContact O-CZ 3.48Å; Q22-F174 HydrophobicContact CB-CZ 4.09Å; M23-F174 HydrophobicContact CB-CE2 4.09Å; M23-F174 HydrophobicContact CB-CZ 4.49Å; M23-F174 HydrophobicContact CE-CD2 4.01Å; M23-F174 HydrophobicContact CE-CE2 3.84Å; H98-F174 AromaticContact CE1-CE2 3.53Å; H98-F174 AromaticContact ND1-CE2 3.91Å; N133-F174 HydrophobicContact CB-CB 4.46Å; F174-I176 HydrophobicContact CD1-CG1 4.2Å; F174-I176 PolarHBondContact O-N 3.11Å
175P88.3Confident88.2Confident56 Ų56101.5 Ų101.536%0.36455%0.548SS..PPolyproline II helixtrans-70.6123.3-179.726.9-32.7000110L26L26-P175 HydrophobicContact CD2-CB 3.55Å; L26-P175 HydrophobicContact CD2-CG 3.17Å
176I86.1Confident86.7Confident108 Ų108112.4 Ų112.455%0.55459%0.589SS**  trans-113.6121.4176.2-57.7173.4000108.2F174 F178F174-I176 HydrophobicContact CD1-CG1 4.2Å; F174-I176 PolarHBondContact O-N 3.11Å; I176-F178 HydrophobicContact CB-CE2 3.94Å; I176-F178 HydrophobicContact CB-CZ 4.07Å; I176-F178 HydrophobicContact CD1-CZ 4.36Å; I176-F178 HydrophobicContact CG2-CD1 4.11Å; I176-F178 HydrophobicContact CG2-CD2 4.06Å; I176-F178 HydrophobicContact CG2-CE1 3.75Å; I176-F178 HydrophobicContact CG2-CE2 3.7Å; I176-F178 HydrophobicContact CG2-CG 4.26Å; I176-F178 HydrophobicContact CG2-CZ 3.54Å
177V80.7Confident85.3Confident122 Ų122110.4 Ų110.474%0.73959%0.588SS**  trans-92105171.1-177.60000107.6
178F81Confident84.1Confident153 Ų153113.5 Ų113.567%0.67159%0.594SS**  trans-78.9124.8175.9-67.2-79.8000109.8I176I176-F178 HydrophobicContact CB-CE2 3.94Å; I176-F178 HydrophobicContact CB-CZ 4.07Å; I176-F178 HydrophobicContact CD1-CZ 4.36Å; I176-F178 HydrophobicContact CG2-CD1 4.11Å; I176-F178 HydrophobicContact CG2-CD2 4.06Å; I176-F178 HydrophobicContact CG2-CE1 3.75Å; I176-F178 HydrophobicContact CG2-CE2 3.7Å; I176-F178 HydrophobicContact CG2-CG 4.26Å; I176-F178 HydrophobicContact CG2-CZ 3.54Å
179P80Confident83.3Confident87 Ų87118 Ų11857%0.56562%0.62SS**  trans-65156.7168.729.5-33.6000109.6L181P179-L181 HydrophobicContact CG-CD2 4.29Å; P179-L181 PolarHBondContact O-N 3.36Å
180P81.9Confident82.6Confident136 Ų136120.5 Ų120.588%0.88363%0.629SS**  trans-57.3112.6169.1-16.128.1000108.7
181L79.8Confident82.1Confident143 Ų143123.2 Ų123.275%0.74964%0.636SS**  trans-83.8124.7177.3-63.2177.4000108.6P179P179-L181 HydrophobicContact CG-CD2 4.29Å; P179-L181 PolarHBondContact O-N 3.36Å
182S80.4Confident81.6Confident100 Ų100125.9 Ų125.970%0.69965%0.645SS**  trans-70.3133.8166.353.70000108.9V184S182-V184 PolarHBondContact O-N 3.38Å
183T73.4Confident81.3Confident145 Ų145122.2 Ų122.289%0.8963%0.626SS**  trans-69.396.9169.439.80000108.7
184V70.9Confident81Confident117 Ų117118 Ų11871%0.70962%0.616SS**  trans-77.5133.1169.4-1750000108.2S182 R186S182-V184 PolarHBondContact O-N 3.38Å; V184-R186 PolarHBondContact O-N 3.4Å; V184-R186 VanDerWaalsContact O-N 3.09Å
185R69.5Low80.8Confident244 Ų244116.6 Ų116.692%0.92161%0.61SS**  trans-62.2114.8171.6-80.8-174.2174.8-176.7-0.9108.4
186R68.4Low80.8Confident229 Ų229117.8 Ų117.886%0.86462%0.617SS**  trans-65.4134.1172.3-61.5179.780.5168.84.7108.5V184 Q188V184-R186 PolarHBondContact O-N 3.4Å; V184-R186 VanDerWaalsContact O-N 3.09Å; R186-Q188 PolarHBondContact O-N 3.24Å
187S69.5Low80.7Confident73 Ų73116.7 Ų116.751%0.5161%0.609SS.*  trans-58.2125.2162.7175.50000107.9N189 E190S187-N189 VanDerWaalsContact C-N 3.27Å; S187-N189 PolarHBondContact OG-N 3.37Å; S187-E190 PolarHBondContact OG-N 3.2Å
188Q73.2Confident80.7Confident191 Ų191114.8 Ų114.889%0.89359%0.589SS**SBendtrans-78-16.9176.3-72.6-173.1-24.700112.3R186R186-Q188 PolarHBondContact O-N 3.24Å
189N80.7Confident80.6Confident138 Ų138109.3 Ų109.374%0.73856%0.564SS**SBendtrans-108.6-0.6-166.9-67.9-4.3000113.9S187 N221S187-N189 VanDerWaalsContact C-N 3.27Å; S187-N189 PolarHBondContact OG-N 3.37Å; N189-N221 PolarHBondContact O-ND2 3.3Å
190E83.9Confident80.5Confident84 Ų84107.2 Ų107.239%0.39355%0.547SS..SBendtrans-135.3126-177-173179.5-120.700110.7S187 H192 C223S187-E190 PolarHBondContact OG-N 3.2Å; E190-H192 PolarHBondContact O-N 3.25Å; E190-C223 HydrophobicContact CG-CB 4.29Å
191L88.7Confident80.1Confident104 Ų104105.8 Ų105.855%0.54553%0.528SS..EExtended strand (participates in β ladder)trans-73.7119.8173.8174.164.7000109.3I193 N221 F222 C223L191-I193 HydrophobicContact CD2-CD1 4.06Å; L191-I193 HydrophobicContact CD2-CG1 4Å; L191-I193 HydrophobicContact CG-CG1 3.96Å; L191-N221 PolarHBondContact N-O 2.88Å; L191-F222 HydrophobicContact CB-CB 4.06Å; L191-F222 HydrophobicContact CG-CB 4.45Å; L191-F222 CarbonylContact O-C 3.56Å; L191-F222 WeakPolarHBondContact O-CA 3.43Å; L191-F222 VanDerWaalsContact O-CB 3.26Å; L191-F222 WeakPolarHBondContact O-CB 3.37Å; L191-C223 PolarHBondContact O-N 3.1Å
192H89.3Confident79.9Confident104 Ų104102.3 Ų102.348%0.48151%0.51SS..EExtended strand (participates in β ladder)trans-99.7109.5174.3-167.1-179.7000110.6E190 S225E190-H192 PolarHBondContact O-N 3.25Å; H192-S225 PolarHBondContact NE2-OG 2.98Å
193I91.3Very high80Confident34 Ų34101.2 Ų101.217%0.17449%0.493CS..EExtended strand (participates in β ladder)trans-92.8129.5176.1-55.8177.8000108.3L191 F208 L212 L215 F222 C223 L224 S225L191-I193 HydrophobicContact CD2-CD1 4.06Å; L191-I193 HydrophobicContact CD2-CG1 4Å; L191-I193 HydrophobicContact CG-CG1 3.96Å; I193-F208 HydrophobicContact CG2-CE2 3.96Å; I193-F208 HydrophobicContact CG2-CZ 4.21Å; I193-L212 HydrophobicContact CD1-CD2 4.16Å; I193-L215 HydrophobicContact CD1-CD1 3.64Å; I193-F222 HydrophobicContact CD1-CD2 4.04Å; I193-F222 HydrophobicContact CD1-CG 4.42Å; I193-C223 PolarHBondContact N-O 3.17Å; I193-L224 HydrophobicContact CB-CD1 4.19Å; I193-L224 HydrophobicContact CG2-CD1 4.04Å; I193-L224 CarbonylContact O-C 3.45Å; I193-L224 WeakPolarHBondContact O-CA 3.49Å; I193-S225 PolarHBondContact O-N 3.48Å
194V90.5Very high80.6Confident68 Ų6898.2 Ų98.241%0.41247%0.471SS..EExtended strand (participates in β ladder)trans-119130.8175.9-175.80000108.8P196 S225 L227V194-P196 HydrophobicContact CG1-CB 4.43Å; V194-P196 WeakPolarHBondContact O-CD 3.44Å; V194-S225 CarbonylContact C-O 3.59Å; V194-S225 WeakPolarHBondContact CA-O 3.27Å; V194-L227 HydrophobicContact CG1-CD1 3.66Å; V194-L227 HydrophobicContact CG1-CG 4.17Å
195W90.2Very high81.3Confident13 Ų1392.9 Ų92.95%0.04944%0.439CS..EExtended strand (participates in β ladder)trans-101.796.9166.2177.2-86.1000108.4H197 K203 P205 F208 S225 V226 L227 F238W195-H197 VanDerWaalsContact C-N 3.29Å; W195-H197 HydrophobicContact CD2-CB 4.44Å; W195-H197 HydrophobicContact CZ2-CB 4.13Å; W195-H197 PolarHBondContact NE1-O 2.99Å; W195-H197 VanDerWaalsContact NE1-O 3.08Å; W195-H197 PolarHBondContact O-N 3.23Å; W195-K203 HydrophobicContact CH2-CB 3.65Å; W195-K203 VanDerWaalsContact CH2-O 3.24Å; W195-K203 WeakPolarHBondContact CH2-O 3.34Å; W195-K203 HydrophobicContact CZ2-CB 3.49Å; W195-K203 VanDerWaalsContact CZ2-CB 3.49Å; W195-K203 HydrophobicContact CZ2-CG 4.36Å; W195-P205 HydrophobicContact CH2-CB 4.47Å; W195-F208 HydrophobicContact CB-CE1 3.99Å; W195-F208 HydrophobicContact CB-CZ 3.81Å; W195-F208 HydrophobicContact CD2-CD1 4.12Å; W195-F208 HydrophobicContact CD2-CE1 4.08Å; W195-F208 HydrophobicContact CD2-CG 4.43Å; W195-F208 HydrophobicContact CD2-CZ 4.37Å; W195-F208 HydrophobicContact CE3-CB 4.06Å; W195-F208 AromaticContact CE3-CD1 3.54Å; W195-F208 HydrophobicContact CE3-CD1 3.54Å; W195-F208 AromaticContact CE3-CD2 3.54Å; W195-F208 HydrophobicContact CE3-CD2 3.54Å; W195-F208 AromaticContact CE3-CE1 3.74Å; W195-F208 HydrophobicContact CE3-CE1 3.74Å; W195-F208 AromaticContact CE3-CE2 3.76Å; W195-F208 HydrophobicContact CE3-CE2 3.76Å; W195-F208 AromaticContact CE3-CG 3.42Å; W195-F208 HydrophobicContact CE3-CG 3.42Å; W195-F208 VanDerWaalsContact CE3-CG 3.42Å; W195-F208 AromaticContact CE3-CZ 3.84Å; W195-F208 HydrophobicContact CE3-CZ 3.84Å; W195-F208 HydrophobicContact CG-CE1 4.25Å; W195-F208 HydrophobicContact CG-CZ 4.43Å; W195-F208 HydrophobicContact CH2-CB 4.16Å; W195-F208 HydrophobicContact CH2-CG 4.37Å; W195-F208 HydrophobicContact CZ3-CB 3.49Å; W195-F208 VanDerWaalsContact CZ3-CB 3.49Å; W195-F208 AromaticContact CZ3-CD1 3.83Å; W195-F208 HydrophobicContact CZ3-CD1 3.83Å; W195-F208 AromaticContact CZ3-CD2 3.75Å; W195-F208 HydrophobicContact CZ3-CD2 3.75Å; W195-F208 HydrophobicContact CZ3-CE1 4.48Å; W195-F208 HydrophobicContact CZ3-CE2 4.42Å; W195-F208 AromaticContact CZ3-CG 3.4Å; W195-F208 HydrophobicContact CZ3-CG 3.4Å; W195-F208 VanDerWaalsContact CZ3-CG 3.4Å; W195-S225 PolarHBondContact N-O 3.38Å; W195-V226 HydrophobicContact CB-CB 4.44Å; W195-V226 HydrophobicContact CB-CG1 4.25Å; W195-V226 HydrophobicContact CB-CG2 4.17Å; W195-V226 HydrophobicContact CG-CG1 4.25Å; W195-L227 CarbonylContact O-C 3.47Å; W195-L227 WeakPolarHBondContact O-CA 3.47Å; W195-L227 WeakPolarHBondContact O-CB 3.41Å; W195-L227 PolarHBondContact O-N 3.31Å; W195-F238 HydrophobicContact CZ2-CZ 4.34Å
196P87.5Confident82.2Confident80 Ų8087.5 Ų87.552%0.51942%0.424SS..  trans-90.613.2-177.837.3-37.7000113.1V194V194-P196 HydrophobicContact CG1-CB 4.43Å; V194-P196 WeakPolarHBondContact O-CD 3.44Å
197H83.7Confident83.2Confident85 Ų8581.2 Ų81.239%0.39441%0.408SS..SBendtrans-97.7154.6-172.1-51.6-67.7000111.9W195 K203W195-H197 VanDerWaalsContact C-N 3.29Å; W195-H197 HydrophobicContact CD2-CB 4.44Å; W195-H197 HydrophobicContact CZ2-CB 4.13Å; W195-H197 PolarHBondContact NE1-O 2.99Å; W195-H197 VanDerWaalsContact NE1-O 3.08Å; W195-H197 PolarHBondContact O-N 3.23Å; H197-K203 HydrophobicContact CB-CB 4.39Å; H197-K203 HydrophobicContact CB-CD 4.2Å; H197-K203 HydrophobicContact CB-CG 3.94Å
198R79.8Confident84.3Confident82 Ų8279.3 Ų79.331%0.30939%0.39SS..  trans-54.6150.4166.1-68.8171.2173.1169.55.8110.1E200 Y231R198-E200 HydrophobicContact CB-CB 4.46Å; R198-E200 HydrophobicContact CB-CG 3.88Å; R198-E200 PolarHBondContact O-N 2.82Å; R198-Y231 HydrophobicContact CG-CE2 4.2Å; R198-Y231 PolarHBondContact NE-OH 3.16Å
199W79.6Confident85Confident38 Ų3870.2 Ų70.214%0.14435%0.348CS..SBendtrans-83.265.6-179.2-65.229.3000109.5V226 L227 E229 T230 T234 P235 F238 F243W199-V226 HydrophobicContact CH2-CG1 4.47Å; W199-V226 HydrophobicContact CZ2-CB 4.42Å; W199-V226 HydrophobicContact CZ2-CG1 3.51Å; W199-L227 PolarHBondContact NE1-O 3.07Å; W199-E229 PolarHBondContact N-O 2.89Å; W199-T230 HydrophobicContact CB-CG2 4.17Å; W199-T230 HydrophobicContact CD2-CG2 3.41Å; W199-T230 VanDerWaalsContact CD2-CG2 3.41Å; W199-T230 HydrophobicContact CE3-CG2 3.46Å; W199-T230 VanDerWaalsContact CE3-CG2 3.46Å; W199-T230 HydrophobicContact CG-CG2 3.77Å; W199-T230 HydrophobicContact CH2-CG2 4.25Å; W199-T230 HydrophobicContact CZ2-CG2 4.26Å; W199-T230 HydrophobicContact CZ3-CG2 3.86Å; W199-T234 HydrophobicContact CD2-CG2 4.42Å; W199-T234 HydrophobicContact CE3-CG2 3.29Å; W199-T234 HydrophobicContact CZ3-CG2 3.73Å; W199-P235 VanDerWaalsContact O-CD 3.28Å; W199-P235 WeakPolarHBondContact O-CD 3.36Å; W199-F238 HydrophobicContact CB-CD2 4.44Å; W199-F238 HydrophobicContact CB-CE2 4.08Å; W199-F238 HydrophobicContact CB-CZ 4.15Å; W199-F238 AromaticContact CD2-CD1 3.46Å; W199-F238 HydrophobicContact CD2-CD1 3.46Å; W199-F238 VanDerWaalsContact CD2-CD1 3.46Å; W199-F238 HydrophobicContact CD2-CD2 4.36Å; W199-F238 AromaticContact CD2-CE1 3.56Å; W199-F238 HydrophobicContact CD2-CE1 3.56Å; W199-F238 HydrophobicContact CD2-CE2 4.42Å; W199-F238 AromaticContact CD2-CG 3.92Å; W199-F238 HydrophobicContact CD2-CG 3.92Å; W199-F238 HydrophobicContact CD2-CZ 4.06Å; W199-F238 AromaticContact CE2-CD1 3.9Å; W199-F238 AromaticContact CE2-CE1 3.89Å; W199-F238 HydrophobicContact CE3-CB 3.52Å; W199-F238 AromaticContact CE3-CD1 3.15Å; W199-F238 HydrophobicContact CE3-CD1 3.15Å; W199-F238 AromaticContact CE3-CD2 3.89Å; W199-F238 HydrophobicContact CE3-CD2 3.89Å; W199-F238 AromaticContact CE3-CE1 3.78Å; W199-F238 HydrophobicContact CE3-CE1 3.78Å; W199-F238 HydrophobicContact CE3-CE2 4.39Å; W199-F238 AromaticContact CE3-CG 3.25Å; W199-F238 HydrophobicContact CE3-CG 3.25Å; W199-F238 HydrophobicContact CE3-CZ 4.36Å; W199-F238 HydrophobicContact CG-CD1 4.21Å; W199-F238 AromaticContact CG-CE1 3.89Å; W199-F238 HydrophobicContact CG-CE1 3.89Å; W199-F238 HydrophobicContact CG-CE2 4.28Å; W199-F238 AromaticContact CG-CZ 3.93Å; W199-F238 HydrophobicContact CG-CZ 3.93Å; W199-F238 AromaticContact CH2-CD1 3.93Å; W199-F238 HydrophobicContact CH2-CD1 3.93Å; W199-F238 HydrophobicContact CZ2-CD1 4.12Å; W199-F238 HydrophobicContact CZ2-CE1 4.43Å; W199-F238 HydrophobicContact CZ3-CB 3.49Å; W199-F238 VanDerWaalsContact CZ3-CB 3.49Å; W199-F238 AromaticContact CZ3-CD1 3.46Å; W199-F238 HydrophobicContact CZ3-CD1 3.46Å; W199-F238 VanDerWaalsContact CZ3-CD1 3.46Å; W199-F238 HydrophobicContact CZ3-CE1 4.38Å; W199-F238 AromaticContact CZ3-CG 3.66Å; W199-F238 HydrophobicContact CZ3-CG 3.66Å; W199-F243 AromaticContact CH2-CD2 3.68Å; W199-F243 HydrophobicContact CH2-CD2 3.68Å; W199-F243 AromaticContact CH2-CE2 3.39Å; W199-F243 HydrophobicContact CH2-CE2 3.39Å; W199-F243 HydrophobicContact CH2-CZ 4.25Å; W199-F243 HydrophobicContact CZ2-CD2 4.41Å; W199-F243 HydrophobicContact CZ2-CE2 4.07Å; W199-F243 HydrophobicContact CZ3-CD2 4.46Å; W199-F243 AromaticContact CZ3-CE2 3.93Å; W199-F243 HydrophobicContact CZ3-CE2 3.93Å
200E78.1Confident85.6Confident44 Ų4465.1 Ų65.121%0.20632%0.323CS..  trans-120.4152.3-173.9-69.1175.5165.500110.6R198 D202 K203R198-E200 HydrophobicContact CB-CB 4.46Å; R198-E200 HydrophobicContact CB-CG 3.88Å; R198-E200 PolarHBondContact O-N 2.82Å; E200-D202 VanDerWaalsContact C-N 3.29Å; E200-D202 WeakPolarHBondContact CB-OD1 3.48Å; E200-D202 PolarHBondContact O-N 2.83Å; E200-K203 PolarHBondContact O-N 2.88Å
201H73Confident86Confident105 Ų10564.2 Ų64.249%0.48632%0.323SS..G310 helixtrans-66-29.4-175.1-66.7-81.8000113.6Q107 K203 D204Q107-H201 PolarHBondContact NE2-CD2 2.92Å; Q107-H201 VanDerWaalsContact NE2-CD2 3.26Å; H201-K203 PolarHBondContact O-N 2.82Å; H201-K203 VanDerWaalsContact O-N 3.15Å; H201-D204 PolarHBondContact O-N 3.47Å
202D76Confident86.2Confident71 Ų7159.3 Ų59.338%0.3830%0.297SS..G310 helixtrans-70.8-4.1-179.771.6-51000113.1P105 E200P105-D202 HydrophobicContact CG-CB 4.17Å; E200-D202 VanDerWaalsContact C-N 3.29Å; E200-D202 WeakPolarHBondContact CB-OD1 3.48Å; E200-D202 PolarHBondContact O-N 2.83Å
203K83.8Confident86.4Confident76 Ų7659.8 Ų59.833%0.3330%0.295SS..G310 helixtrans-92.2-0.5175.1-51.9-52.5177.5-147.30113.7W195 H197 E200 H201W195-K203 HydrophobicContact CH2-CB 3.65Å; W195-K203 VanDerWaalsContact CH2-O 3.24Å; W195-K203 WeakPolarHBondContact CH2-O 3.34Å; W195-K203 HydrophobicContact CZ2-CB 3.49Å; W195-K203 VanDerWaalsContact CZ2-CB 3.49Å; W195-K203 HydrophobicContact CZ2-CG 4.36Å; H197-K203 HydrophobicContact CB-CB 4.39Å; H197-K203 HydrophobicContact CB-CD 4.2Å; H197-K203 HydrophobicContact CB-CG 3.94Å; E200-K203 PolarHBondContact O-N 2.88Å; H201-K203 PolarHBondContact O-N 2.82Å; H201-K203 VanDerWaalsContact O-N 3.15Å
204D85.4Confident86.5Confident82 Ų8263.9 Ų63.944%0.43931%0.313SS..  trans54.358.6-174.7-165-0.8000113.2H201 E206 L207 F208H201-D204 PolarHBondContact O-N 3.47Å; D204-E206 PolarHBondContact O-N 3.06Å; D204-L207 HydrophobicContact CB-CB 4.5Å; D204-L207 VanDerWaalsContact CG-CB 3.41Å; D204-L207 PolarHBondContact O-N 3.09Å; D204-L207 WeakPolarHBondContact OD1-CB 3.34Å; D204-L207 PolarHBondContact OD1-N 3.33Å; D204-L207 VanDerWaalsContact OD1-N 3.08Å; D204-L207 VanDerWaalsContact OD2-CB 3.25Å; D204-L207 WeakPolarHBondContact OD2-CB 3.27Å; D204-F208 PolarHBondContact O-N 3.02Å
205P86.2Confident86.6Confident6 Ų662.5 Ų62.54%0.03930%0.303CS..Hα-helixtrans-63.1-25.5177.927.4-34.8000112W195 F208 F209 P235 F238W195-P205 HydrophobicContact CH2-CB 4.47Å; P205-F208 PolarHBondContact O-N 2.8Å; P205-F209 HydrophobicContact CB-CD2 4.33Å; P205-F209 HydrophobicContact CB-CE2 4.29Å; P205-F209 WeakPolarHBondContact O-CD2 3.17Å; P205-F209 PolarHBondContact O-N 3.42Å; P205-P235 HydrophobicContact CG-CB 4.46Å; P205-F238 HydrophobicContact CB-CE2 3.57Å; P205-F238 HydrophobicContact CB-CZ 3.95Å; P205-F238 HydrophobicContact CG-CE2 4.27Å
206E87.4Confident86.7Confident130 Ų13065.9 Ų65.961%0.60733%0.325SS*.Hα-helixtrans-65.1-50179.8-174.3175.4178.400111.8D204 F208 F209 S210D204-E206 PolarHBondContact O-N 3.06Å; E206-F208 VanDerWaalsContact C-N 3.28Å; E206-F208 PolarHBondContact O-N 3.37Å; E206-F209 PolarHBondContact O-N 3.5Å; E206-S210 WeakPolarHBondContact O-CB 3.4Å; E206-S210 PolarHBondContact O-N 3.34Å
207L89.8Confident87Confident98 Ų9867.4 Ų67.451%0.51333%0.334SS..Hα-helixtrans-58.7-44.9174.7179.560.4000110.5D204 F209 S210 V211D204-L207 HydrophobicContact CB-CB 4.5Å; D204-L207 VanDerWaalsContact CG-CB 3.41Å; D204-L207 PolarHBondContact O-N 3.09Å; D204-L207 WeakPolarHBondContact OD1-CB 3.34Å; D204-L207 PolarHBondContact OD1-N 3.33Å; D204-L207 VanDerWaalsContact OD1-N 3.08Å; D204-L207 VanDerWaalsContact OD2-CB 3.25Å; D204-L207 WeakPolarHBondContact OD2-CB 3.27Å; L207-F209 PolarHBondContact O-N 2.96Å; L207-S210 WeakPolarHBondContact O-CB 3.41Å; L207-S210 PolarHBondContact O-N 3.12Å; L207-S210 VanDerWaalsContact O-N 3.16Å; L207-S210 PolarHBondContact O-OG 2.93Å; L207-V211 HydrophobicContact CD1-CG2 4.41Å; L207-V211 WeakPolarHBondContact O-CG2 3.29Å; L207-V211 PolarHBondContact O-N 3.21Å
208F91.7Very high87.6Confident32 Ų3268.9 Ų68.914%0.1434%0.344CS..Hα-helixtrans-56.1-52.4178.9-178.7-113000112.7I193 W195 D204 P205 E206 S210 V211 L212 L224 V226I193-F208 HydrophobicContact CG2-CE2 3.96Å; I193-F208 HydrophobicContact CG2-CZ 4.21Å; W195-F208 HydrophobicContact CB-CE1 3.99Å; W195-F208 HydrophobicContact CB-CZ 3.81Å; W195-F208 HydrophobicContact CD2-CD1 4.12Å; W195-F208 HydrophobicContact CD2-CE1 4.08Å; W195-F208 HydrophobicContact CD2-CG 4.43Å; W195-F208 HydrophobicContact CD2-CZ 4.37Å; W195-F208 HydrophobicContact CE3-CB 4.06Å; W195-F208 AromaticContact CE3-CD1 3.54Å; W195-F208 HydrophobicContact CE3-CD1 3.54Å; W195-F208 AromaticContact CE3-CD2 3.54Å; W195-F208 HydrophobicContact CE3-CD2 3.54Å; W195-F208 AromaticContact CE3-CE1 3.74Å; W195-F208 HydrophobicContact CE3-CE1 3.74Å; W195-F208 AromaticContact CE3-CE2 3.76Å; W195-F208 HydrophobicContact CE3-CE2 3.76Å; W195-F208 AromaticContact CE3-CG 3.42Å; W195-F208 HydrophobicContact CE3-CG 3.42Å; W195-F208 VanDerWaalsContact CE3-CG 3.42Å; W195-F208 AromaticContact CE3-CZ 3.84Å; W195-F208 HydrophobicContact CE3-CZ 3.84Å; W195-F208 HydrophobicContact CG-CE1 4.25Å; W195-F208 HydrophobicContact CG-CZ 4.43Å; W195-F208 HydrophobicContact CH2-CB 4.16Å; W195-F208 HydrophobicContact CH2-CG 4.37Å; W195-F208 HydrophobicContact CZ3-CB 3.49Å; W195-F208 VanDerWaalsContact CZ3-CB 3.49Å; W195-F208 AromaticContact CZ3-CD1 3.83Å; W195-F208 HydrophobicContact CZ3-CD1 3.83Å; W195-F208 AromaticContact CZ3-CD2 3.75Å; W195-F208 HydrophobicContact CZ3-CD2 3.75Å; W195-F208 HydrophobicContact CZ3-CE1 4.48Å; W195-F208 HydrophobicContact CZ3-CE2 4.42Å; W195-F208 AromaticContact CZ3-CG 3.4Å; W195-F208 HydrophobicContact CZ3-CG 3.4Å; W195-F208 VanDerWaalsContact CZ3-CG 3.4Å; D204-F208 PolarHBondContact O-N 3.02Å; P205-F208 PolarHBondContact O-N 2.8Å; E206-F208 VanDerWaalsContact C-N 3.28Å; E206-F208 PolarHBondContact O-N 3.37Å; F208-S210 VanDerWaalsContact C-N 3.31Å; F208-S210 PolarHBondContact O-N 3.31Å; F208-V211 PolarHBondContact O-N 3.27Å; F208-L212 HydrophobicContact CD1-CD1 3.89Å; F208-L212 HydrophobicContact CE1-CD1 3.46Å; F208-L212 VanDerWaalsContact CE1-CD1 3.46Å; F208-L212 HydrophobicContact CE1-CG 4.35Å; F208-L212 HydrophobicContact CE2-CD1 4.45Å; F208-L212 HydrophobicContact CZ-CD1 3.78Å; F208-L212 HydrophobicContact CZ-CD2 4.43Å; F208-L212 HydrophobicContact CZ-CG 4.31Å; F208-L212 WeakPolarHBondContact O-CG 3.1Å; F208-L212 PolarHBondContact O-N 3.33Å; F208-L224 HydrophobicContact CE1-CD1 4.26Å; F208-L224 HydrophobicContact CZ-CD1 3.67Å; F208-V226 HydrophobicContact CE1-CG2 4.33Å
209F88.7Confident88.1Confident0 Ų073.5 Ų73.50%037%0.37CS..Hα-helixtrans-68.4-29.3178.2-74.4-66.2000112.9P205 E206 L207 V211 L212 R213 N237 F238 F241 F243P205-F209 HydrophobicContact CB-CD2 4.33Å; P205-F209 HydrophobicContact CB-CE2 4.29Å; P205-F209 WeakPolarHBondContact O-CD2 3.17Å; P205-F209 PolarHBondContact O-N 3.42Å; E206-F209 PolarHBondContact O-N 3.5Å; L207-F209 PolarHBondContact O-N 2.96Å; F209-V211 VanDerWaalsContact C-N 3.34Å; F209-L212 HydrophobicContact CD1-CD1 3.84Å; F209-L212 HydrophobicContact CE1-CD1 4.14Å; F209-L212 PolarHBondContact O-N 3.01Å; F209-R213 WeakPolarHBondContact O-CG 3.46Å; F209-R213 PolarHBondContact O-N 3.12Å; F209-N237 HydrophobicContact CD2-CB 3.62Å; F209-N237 HydrophobicContact CE2-CB 4Å; F209-N237 HydrophobicContact CG-CB 4.44Å; F209-F238 AromaticContact CE2-CD1 3.7Å; F209-F238 HydrophobicContact CE2-CD1 3.7Å; F209-F238 AromaticContact CE2-CD2 3.94Å; F209-F238 HydrophobicContact CE2-CD2 3.94Å; F209-F238 AromaticContact CE2-CE1 3.67Å; F209-F238 HydrophobicContact CE2-CE1 3.67Å; F209-F238 AromaticContact CE2-CE2 3.94Å; F209-F238 HydrophobicContact CE2-CE2 3.94Å; F209-F238 AromaticContact CE2-CG 3.81Å; F209-F238 HydrophobicContact CE2-CG 3.81Å; F209-F238 AromaticContact CE2-CZ 3.79Å; F209-F238 HydrophobicContact CE2-CZ 3.79Å; F209-F238 AromaticContact CZ-CD1 3.41Å; F209-F238 HydrophobicContact CZ-CD1 3.41Å; F209-F238 VanDerWaalsContact CZ-CD1 3.41Å; F209-F238 HydrophobicContact CZ-CD2 4.46Å; F209-F238 AromaticContact CZ-CE1 3.56Å; F209-F238 HydrophobicContact CZ-CE1 3.56Å; F209-F238 AromaticContact CZ-CG 3.88Å; F209-F238 HydrophobicContact CZ-CG 3.88Å; F209-F238 HydrophobicContact CZ-CZ 4.17Å; F209-F241 AromaticContact CD1-CD2 3.44Å; F209-F241 HydrophobicContact CD1-CD2 3.44Å; F209-F241 VanDerWaalsContact CD1-CD2 3.44Å; F209-F241 AromaticContact CD1-CE2 3.6Å; F209-F241 HydrophobicContact CD1-CE2 3.6Å; F209-F241 HydrophobicContact CD1-CG 4Å; F209-F241 HydrophobicContact CD1-CZ 4.27Å; F209-F241 HydrophobicContact CE1-CB 3.98Å; F209-F241 HydrophobicContact CE1-CD1 4.39Å; F209-F241 AromaticContact CE1-CD2 3.64Å; F209-F241 HydrophobicContact CE1-CD2 3.64Å; F209-F241 HydrophobicContact CE1-CE2 4.21Å; F209-F241 AromaticContact CE1-CG 3.74Å; F209-F241 HydrophobicContact CE1-CG 3.74Å; F209-F241 HydrophobicContact CG-CD2 4.39Å; F209-F241 HydrophobicContact CG-CE2 4.47Å; F209-F243 HydrophobicContact CE1-CZ 4.24Å; F209-F243 HydrophobicContact CZ-CZ 4.09Å
210S92.7Very high88.6Confident31 Ų3174.5 Ų74.522%0.21738%0.381CS..Hα-helixtrans-63.3-41173.682.70000111.8E206 L207 F208 R213 Q214E206-S210 WeakPolarHBondContact O-CB 3.4Å; E206-S210 PolarHBondContact O-N 3.34Å; L207-S210 WeakPolarHBondContact O-CB 3.41Å; L207-S210 PolarHBondContact O-N 3.12Å; L207-S210 VanDerWaalsContact O-N 3.16Å; L207-S210 PolarHBondContact O-OG 2.93Å; F208-S210 VanDerWaalsContact C-N 3.31Å; F208-S210 PolarHBondContact O-N 3.31Å; S210-R213 PolarHBondContact O-N 3.01Å; S210-Q214 WeakPolarHBondContact O-CG 3.37Å; S210-Q214 PolarHBondContact O-N 3.1Å; S210-Q214 VanDerWaalsContact O-N 3.15Å
211V92.7Very high89.2Confident65 Ų6577.3 Ų77.339%0.39440%0.398SS..Hα-helixtrans-66.6-45175.7173.50000110.5L207 F208 F209 R213 Q214 L215L207-V211 HydrophobicContact CD1-CG2 4.41Å; L207-V211 WeakPolarHBondContact O-CG2 3.29Å; L207-V211 PolarHBondContact O-N 3.21Å; F208-V211 PolarHBondContact O-N 3.27Å; F209-V211 VanDerWaalsContact C-N 3.34Å; V211-R213 VanDerWaalsContact C-N 3.32Å; V211-R213 PolarHBondContact O-N 3.45Å; V211-Q214 PolarHBondContact O-N 3.32Å; V211-Q214 VanDerWaalsContact O-N 3.13Å; V211-L215 HydrophobicContact CG1-CD1 4.26Å; V211-L215 HydrophobicContact CG1-CG 4.45Å; V211-L215 WeakPolarHBondContact O-CG 3.36Å; V211-L215 PolarHBondContact O-N 3.14Å
212L93.2Very high90.1Very high2 Ų274.3 Ų74.31%0.0138%0.384CS..Hα-helixtrans-59-42176.7-68.2175.9000112.3I193 F208 F209 Q214 L215 T216 F222 L224 F241I193-L212 HydrophobicContact CD1-CD2 4.16Å; F208-L212 HydrophobicContact CD1-CD1 3.89Å; F208-L212 HydrophobicContact CE1-CD1 3.46Å; F208-L212 VanDerWaalsContact CE1-CD1 3.46Å; F208-L212 HydrophobicContact CE1-CG 4.35Å; F208-L212 HydrophobicContact CE2-CD1 4.45Å; F208-L212 HydrophobicContact CZ-CD1 3.78Å; F208-L212 HydrophobicContact CZ-CD2 4.43Å; F208-L212 HydrophobicContact CZ-CG 4.31Å; F208-L212 WeakPolarHBondContact O-CG 3.1Å; F208-L212 PolarHBondContact O-N 3.33Å; F209-L212 HydrophobicContact CD1-CD1 3.84Å; F209-L212 HydrophobicContact CE1-CD1 4.14Å; F209-L212 PolarHBondContact O-N 3.01Å; L212-Q214 VanDerWaalsContact C-N 3.34Å; L212-Q214 PolarHBondContact O-N 2.77Å; L212-L215 HydrophobicContact CD2-CD1 4.48Å; L212-L215 PolarHBondContact O-N 3.04Å; L212-T216 PolarHBondContact O-N 3.18Å; L212-T216 PolarHBondContact O-OG1 3.02Å; L212-T216 VanDerWaalsContact O-OG1 3.11Å; L212-F222 HydrophobicContact CD2-CE2 3.85Å; L212-F222 HydrophobicContact CD2-CZ 4.38Å; L212-L224 HydrophobicContact CD1-CD1 4.36Å; L212-L224 HydrophobicContact CD1-CD2 3.5Å; L212-L224 VanDerWaalsContact CD1-CD2 3.5Å; L212-L224 HydrophobicContact CD2-CD1 4.3Å; L212-L224 HydrophobicContact CD2-CD2 4.2Å; L212-L224 HydrophobicContact CG-CD2 4.49Å; L212-F241 HydrophobicContact CB-CZ 4.48Å
213R92.5Very high90.8Very high114 Ų11473.1 Ų73.143%0.4338%0.38SS..Hα-helixtrans-59.8-43.9174.7-76.7-174.3-68.4-993111.7F209 S210 V211 T216 T217 F241F209-R213 WeakPolarHBondContact O-CG 3.46Å; F209-R213 PolarHBondContact O-N 3.12Å; S210-R213 PolarHBondContact O-N 3.01Å; V211-R213 VanDerWaalsContact C-N 3.32Å; V211-R213 PolarHBondContact O-N 3.45Å; R213-T216 PolarHBondContact O-N 3Å; R213-T217 PolarHBondContact O-N 3.01Å; R213-T217 PolarHBondContact O-OG1 3.2Å; R213-T217 VanDerWaalsContact O-OG1 3.05Å; R213-F241 HydrophobicContact CG-CE2 4.49Å
214Q94.1Very high91.1Very high120 Ų12071.4 Ų71.456%0.56138%0.375SS*.Hα-helixtrans-64.1-40.7177.1-70.1179.12000112.4S210 V211 L212 T216 T217 N218S210-Q214 WeakPolarHBondContact O-CG 3.37Å; S210-Q214 PolarHBondContact O-N 3.1Å; S210-Q214 VanDerWaalsContact O-N 3.15Å; V211-Q214 PolarHBondContact O-N 3.32Å; V211-Q214 VanDerWaalsContact O-N 3.13Å; L212-Q214 VanDerWaalsContact C-N 3.34Å; L212-Q214 PolarHBondContact O-N 2.77Å; Q214-T216 VanDerWaalsContact C-N 3.32Å; Q214-T216 PolarHBondContact O-N 2.92Å; Q214-T217 PolarHBondContact O-N 3.26Å; Q214-N218 WeakPolarHBondContact O-CB 3.43Å; Q214-N218 PolarHBondContact O-N 2.89Å; Q214-N218 PolarHBondContact O-ND2 3.39Å; Q214-N218 VanDerWaalsContact O-ND2 3.11Å
215L93.1Very high91.3Very high38 Ų3868.4 Ų68.420%0.19936%0.36CS..Hα-helixtrans-61.1-42.3175.5-68.5174000111.5I193 V211 L212 N218 Q219 C220 F222I193-L215 HydrophobicContact CD1-CD1 3.64Å; V211-L215 HydrophobicContact CG1-CD1 4.26Å; V211-L215 HydrophobicContact CG1-CG 4.45Å; V211-L215 WeakPolarHBondContact O-CG 3.36Å; V211-L215 PolarHBondContact O-N 3.14Å; L212-L215 HydrophobicContact CD2-CD1 4.48Å; L212-L215 PolarHBondContact O-N 3.04Å; L215-N218 CarbonylContact O-C 3.53Å; L215-N218 PolarHBondContact O-N 3.4Å; L215-Q219 PolarHBondContact O-N 2.82Å; L215-C220 HydrophobicContact CB-CB 4.29Å; L215-C220 HydrophobicContact CD2-CB 4.04Å; L215-C220 PolarHBondContact O-N 3.27Å; L215-F222 HydrophobicContact CB-CD1 3.93Å; L215-F222 HydrophobicContact CB-CE1 3.49Å; L215-F222 VanDerWaalsContact CB-CE1 3.49Å; L215-F222 HydrophobicContact CB-CZ 4.05Å; L215-F222 HydrophobicContact CD1-CD1 4.4Å; L215-F222 HydrophobicContact CD1-CE1 4.45Å
216T92Very high91.2Very high84 Ų8468.5 Ų68.552%0.51536%0.36SS..Hα-helixtrans-64.8-45.4174.9-57.50000111.8L212 R213 Q214 N218 Q219L212-T216 PolarHBondContact O-N 3.18Å; L212-T216 PolarHBondContact O-OG1 3.02Å; L212-T216 VanDerWaalsContact O-OG1 3.11Å; R213-T216 PolarHBondContact O-N 3Å; Q214-T216 VanDerWaalsContact C-N 3.32Å; Q214-T216 PolarHBondContact O-N 2.92Å; T216-N218 VanDerWaalsContact C-N 3.27Å; T216-N218 PolarHBondContact O-N 3.18Å; T216-Q219 PolarHBondContact O-N 3.34Å
217T94.5Very high91.2Very high113 Ų11366.2 Ų66.269%0.69335%0.352SS*.Hα-helixtrans-60.2-37.9177.1-62.10000112R213 Q214 Q219R213-T217 PolarHBondContact O-N 3.01Å; R213-T217 PolarHBondContact O-OG1 3.2Å; R213-T217 VanDerWaalsContact O-OG1 3.05Å; Q214-T217 PolarHBondContact O-N 3.26Å; T217-Q219 PolarHBondContact O-N 3.09Å
218N94.7Very high90.7Very high115 Ų11563.6 Ų63.662%0.61535%0.349SS*.THydrogen-bonded Turntrans-847.5177.7-67.5-36.7000113.6Q214 L215 T216 C220Q214-N218 WeakPolarHBondContact O-CB 3.43Å; Q214-N218 PolarHBondContact O-N 2.89Å; Q214-N218 PolarHBondContact O-ND2 3.39Å; Q214-N218 VanDerWaalsContact O-ND2 3.11Å; L215-N218 CarbonylContact O-C 3.53Å; L215-N218 PolarHBondContact O-N 3.4Å; T216-N218 VanDerWaalsContact C-N 3.27Å; T216-N218 PolarHBondContact O-N 3.18Å; N218-C220 PolarHBondContact O-N 3.5Å; N218-C220 VanDerWaalsContact O-N 3.12Å
219Q91.3Very high89.9Confident180 Ų18067.1 Ų67.184%0.84137%0.366SS*.THydrogen-bonded Turntrans52.534.3179.7-57.6-177.5-27.900113.3L215 T216 T217L215-Q219 PolarHBondContact O-N 2.82Å; T216-Q219 PolarHBondContact O-N 3.34Å; T217-Q219 PolarHBondContact O-N 3.09Å
220C90.3Very high88.9Confident58 Ų5870.8 Ų70.839%0.39239%0.388SS..  trans-67.9141.4177-62.50000110.3L215 N218 F222L215-C220 HydrophobicContact CB-CB 4.29Å; L215-C220 HydrophobicContact CD2-CB 4.04Å; L215-C220 PolarHBondContact O-N 3.27Å; N218-C220 PolarHBondContact O-N 3.5Å; N218-C220 VanDerWaalsContact O-N 3.12Å; C220-F222 HydrophobicContact CB-CD1 4.34Å; C220-F222 VanDerWaalsContact O-CD1 3.32Å; C220-F222 WeakPolarHBondContact O-CD1 3.29Å; C220-F222 PolarHBondContact O-N 2.96Å
221N90.1Very high87.5Confident103 Ų10373.9 Ų73.955%0.55140%0.396SS*.  trans-82.7106.2176.2-169.131.7000111N189 L191N189-N221 PolarHBondContact O-ND2 3.3Å; L191-N221 PolarHBondContact N-O 2.88Å
222F91.4Very high85.9Confident43 Ų4375.1 Ų75.119%0.18942%0.422CS..EExtended strand (participates in β ladder)trans-148.4153177.973-83.4000112.6L191 I193 L212 L215 C220 L224L191-F222 HydrophobicContact CB-CB 4.06Å; L191-F222 HydrophobicContact CG-CB 4.45Å; L191-F222 CarbonylContact O-C 3.56Å; L191-F222 WeakPolarHBondContact O-CA 3.43Å; L191-F222 VanDerWaalsContact O-CB 3.26Å; L191-F222 WeakPolarHBondContact O-CB 3.37Å; I193-F222 HydrophobicContact CD1-CD2 4.04Å; I193-F222 HydrophobicContact CD1-CG 4.42Å; L212-F222 HydrophobicContact CD2-CE2 3.85Å; L212-F222 HydrophobicContact CD2-CZ 4.38Å; L215-F222 HydrophobicContact CB-CD1 3.93Å; L215-F222 HydrophobicContact CB-CE1 3.49Å; L215-F222 VanDerWaalsContact CB-CE1 3.49Å; L215-F222 HydrophobicContact CB-CZ 4.05Å; L215-F222 HydrophobicContact CD1-CD1 4.4Å; L215-F222 HydrophobicContact CD1-CE1 4.45Å; C220-F222 HydrophobicContact CB-CD1 4.34Å; C220-F222 VanDerWaalsContact O-CD1 3.32Å; C220-F222 WeakPolarHBondContact O-CD1 3.29Å; C220-F222 PolarHBondContact O-N 2.96Å; F222-L224 HydrophobicContact CE2-CB 4.34Å
223C90.4Very high84.1Confident46 Ų4683.5 Ų83.531%0.31146%0.461SS..EExtended strand (participates in β ladder)trans-109146.6167.1-174.70000109.4E190 L191 I193E190-C223 HydrophobicContact CG-CB 4.29Å; L191-C223 PolarHBondContact O-N 3.1Å; I193-C223 PolarHBondContact N-O 3.17Å
224L90.5Very high82.4Confident40 Ų4080.3 Ų80.321%0.20945%0.454CS..EExtended strand (participates in β ladder)trans-122.5126.8179.2174.364.2000110.5I193 F208 L212 F222 V226 F243I193-L224 HydrophobicContact CB-CD1 4.19Å; I193-L224 HydrophobicContact CG2-CD1 4.04Å; I193-L224 CarbonylContact O-C 3.45Å; I193-L224 WeakPolarHBondContact O-CA 3.49Å; F208-L224 HydrophobicContact CE1-CD1 4.26Å; F208-L224 HydrophobicContact CZ-CD1 3.67Å; L212-L224 HydrophobicContact CD1-CD1 4.36Å; L212-L224 HydrophobicContact CD1-CD2 3.5Å; L212-L224 VanDerWaalsContact CD1-CD2 3.5Å; L212-L224 HydrophobicContact CD2-CD1 4.3Å; L212-L224 HydrophobicContact CD2-CD2 4.2Å; L212-L224 HydrophobicContact CG-CD2 4.49Å; F222-L224 HydrophobicContact CE2-CB 4.34Å; L224-V226 HydrophobicContact CD1-CG2 3.83Å; L224-V226 HydrophobicContact CD2-CG2 3.78Å; L224-V226 HydrophobicContact CG-CG2 3.76Å; L224-F243 HydrophobicContact CD2-CE1 4.43Å
225S89.2Confident80.7Confident18 Ų1874.9 Ų74.913%0.12643%0.429CS..EExtended strand (participates in β ladder)trans-113.8107.7165.3-62.90000109.8H192 I193 V194 W195H192-S225 PolarHBondContact NE2-OG 2.98Å; I193-S225 PolarHBondContact O-N 3.48Å; V194-S225 CarbonylContact C-O 3.59Å; V194-S225 WeakPolarHBondContact CA-O 3.27Å; W195-S225 PolarHBondContact N-O 3.38Å
226V86Confident79.1Confident9 Ų974.9 Ų74.96%0.05544%0.438CS..EExtended strand (participates in β ladder)trans-92.2109.2170.2-177.90000108.6W195 W199 F208 L224 F238 F243W195-V226 HydrophobicContact CB-CB 4.44Å; W195-V226 HydrophobicContact CB-CG1 4.25Å; W195-V226 HydrophobicContact CB-CG2 4.17Å; W195-V226 HydrophobicContact CG-CG1 4.25Å; W199-V226 HydrophobicContact CH2-CG1 4.47Å; W199-V226 HydrophobicContact CZ2-CB 4.42Å; W199-V226 HydrophobicContact CZ2-CG1 3.51Å; F208-V226 HydrophobicContact CE1-CG2 4.33Å; L224-V226 HydrophobicContact CD1-CG2 3.83Å; L224-V226 HydrophobicContact CD2-CG2 3.78Å; L224-V226 HydrophobicContact CG-CG2 3.76Å; V226-F238 HydrophobicContact CG1-CD1 4.35Å; V226-F238 HydrophobicContact CG1-CE1 3.85Å; V226-F243 HydrophobicContact CB-CD1 4.02Å; V226-F243 HydrophobicContact CB-CE1 3.49Å; V226-F243 VanDerWaalsContact CB-CE1 3.49Å; V226-F243 HydrophobicContact CB-CZ 3.88Å; V226-F243 HydrophobicContact CG1-CE1 4.11Å; V226-F243 HydrophobicContact CG1-CZ 3.97Å; V226-F243 HydrophobicContact CG2-CD1 4.07Å; V226-F243 HydrophobicContact CG2-CE1 3.22Å; V226-F243 HydrophobicContact CG2-CZ 3.76Å
227L85.4Confident77.5Confident81 Ų8173.3 Ų73.342%0.42443%0.427SS..  trans-106.1-174.4178.5-52176.9000108.9V194 W195 W199 F246V194-L227 HydrophobicContact CG1-CD1 3.66Å; V194-L227 HydrophobicContact CG1-CG 4.17Å; W195-L227 CarbonylContact O-C 3.47Å; W195-L227 WeakPolarHBondContact O-CA 3.47Å; W195-L227 WeakPolarHBondContact O-CB 3.41Å; W195-L227 PolarHBondContact O-N 3.31Å; W199-L227 PolarHBondContact NE1-O 3.07Å; L227-F246 HydrophobicContact CD2-CZ 4.43Å
228G80.5Confident75.8Confident44 Ų4468.2 Ų68.245%0.45440%0.395SS..SBendtrans98.1158.6175.400000113.5
229E74.4Confident74Confident106 Ų10669.5 Ų69.550%0.49540%0.397SS..  trans-74.9139.5-179.6-64.4177164.300110.8W199 Y231W199-E229 PolarHBondContact N-O 2.89Å; E229-Y231 HydrophobicContact CB-CE2 4.36Å; E229-Y231 PolarHBondContact OE2-OH 3.48Å
230T68.4Low72.3Confident77 Ų7768.4 Ų68.447%0.47239%0.392SS..  trans-97.2135.7165.655.50000109.3W199W199-T230 HydrophobicContact CB-CG2 4.17Å; W199-T230 HydrophobicContact CD2-CG2 3.41Å; W199-T230 VanDerWaalsContact CD2-CG2 3.41Å; W199-T230 HydrophobicContact CE3-CG2 3.46Å; W199-T230 VanDerWaalsContact CE3-CG2 3.46Å; W199-T230 HydrophobicContact CG-CG2 3.77Å; W199-T230 HydrophobicContact CH2-CG2 4.25Å; W199-T230 HydrophobicContact CZ2-CG2 4.26Å; W199-T230 HydrophobicContact CZ3-CG2 3.86Å
231Y62.4Low70.6Confident96 Ų9668.6 Ų68.638%0.37639%0.386SS..  trans-108.4154167.1-56.6-74.6000107.7R198 E229 Q233R198-Y231 HydrophobicContact CG-CE2 4.2Å; R198-Y231 PolarHBondContact NE-OH 3.16Å; E229-Y231 HydrophobicContact CB-CE2 4.36Å; E229-Y231 PolarHBondContact OE2-OH 3.48Å; Y231-Q233 CarbonylContact O-C 3.57Å; Y231-Q233 PolarHBondContact O-N 3.44Å
232G58.7Low68.5Low91 Ų9171.3 Ų71.394%0.93840%0.399SS*.SBendtrans-53.4-7.1-159.700000119
233Q56.7Low66.5Low177 Ų17771.6 Ų71.683%0.82740%0.4SS*.SBendtrans-110.7102.8161.6-72.5-173.9-11.800109.5Y231Y231-Q233 CarbonylContact O-C 3.57Å; Y231-Q233 PolarHBondContact O-N 3.44Å
234T56.9Low64Low47 Ų4774.8 Ų74.829%0.28842%0.421SS..  trans-82.2133.2172.3-38.50000108.9W199 G236 F238W199-T234 HydrophobicContact CD2-CG2 4.42Å; W199-T234 HydrophobicContact CE3-CG2 3.29Å; W199-T234 HydrophobicContact CZ3-CG2 3.73Å; T234-G236 PolarHBondContact O-N 2.83Å; T234-F238 HydrophobicContact CG2-CB 3.76Å; T234-F238 HydrophobicContact CG2-CD2 4.39Å; T234-F238 HydrophobicContact CG2-CG 4.27Å
235P57.3Low61.1Low6 Ų678.3 Ų78.34%0.03945%0.449CS..  trans-58.4133.7174-21.430.6000110.1W199 P205 N237 F238W199-P235 VanDerWaalsContact O-CD 3.28Å; W199-P235 WeakPolarHBondContact O-CD 3.36Å; P205-P235 HydrophobicContact CG-CB 4.46Å; P235-N237 PolarHBondContact O-N 3.21Å; P235-F238 HydrophobicContact CB-CD2 3.95Å; P235-F238 HydrophobicContact CB-CE2 4.29Å; P235-F238 HydrophobicContact CG-CD2 3.98Å; P235-F238 HydrophobicContact CG-CE2 4.01Å; P235-F238 PolarHBondContact O-N 2.94Å
236G60.2Low58.4Low38 Ų3884.1 Ų84.139%0.39247%0.472SS..Hα-helixtrans-54.8-24.1-173.300000114.7T234 F238 E239 H240T234-G236 PolarHBondContact O-N 2.83Å; G236-F238 PolarHBondContact O-N 2.91Å; G236-E239 PolarHBondContact O-N 3.03Å; G236-H240 PolarHBondContact O-CD2 2.99Å; G236-H240 PolarHBondContact O-N 2.65Å
237N58.6Low55.7Low52 Ų5296.1 Ų96.128%0.27853%0.527SS..Hα-helixtrans-58-30.7173.3-65.7-25.6000113.4F209 P235F209-N237 HydrophobicContact CD2-CB 3.62Å; F209-N237 HydrophobicContact CE2-CB 4Å; F209-N237 HydrophobicContact CG-CB 4.44Å; P235-N237 PolarHBondContact O-N 3.21Å
238F58.4Low54.2Low5 Ų596.9 Ų96.92%0.02253%0.532CS..Hα-helixtrans-80.3-25.7176.1-69.7-89.1000112.9W195 W199 P205 F209 V226 T234 P235 G236 H240 F241 F243W195-F238 HydrophobicContact CZ2-CZ 4.34Å; W199-F238 HydrophobicContact CB-CD2 4.44Å; W199-F238 HydrophobicContact CB-CE2 4.08Å; W199-F238 HydrophobicContact CB-CZ 4.15Å; W199-F238 AromaticContact CD2-CD1 3.46Å; W199-F238 HydrophobicContact CD2-CD1 3.46Å; W199-F238 VanDerWaalsContact CD2-CD1 3.46Å; W199-F238 HydrophobicContact CD2-CD2 4.36Å; W199-F238 AromaticContact CD2-CE1 3.56Å; W199-F238 HydrophobicContact CD2-CE1 3.56Å; W199-F238 HydrophobicContact CD2-CE2 4.42Å; W199-F238 AromaticContact CD2-CG 3.92Å; W199-F238 HydrophobicContact CD2-CG 3.92Å; W199-F238 HydrophobicContact CD2-CZ 4.06Å; W199-F238 AromaticContact CE2-CD1 3.9Å; W199-F238 AromaticContact CE2-CE1 3.89Å; W199-F238 HydrophobicContact CE3-CB 3.52Å; W199-F238 AromaticContact CE3-CD1 3.15Å; W199-F238 HydrophobicContact CE3-CD1 3.15Å; W199-F238 AromaticContact CE3-CD2 3.89Å; W199-F238 HydrophobicContact CE3-CD2 3.89Å; W199-F238 AromaticContact CE3-CE1 3.78Å; W199-F238 HydrophobicContact CE3-CE1 3.78Å; W199-F238 HydrophobicContact CE3-CE2 4.39Å; W199-F238 AromaticContact CE3-CG 3.25Å; W199-F238 HydrophobicContact CE3-CG 3.25Å; W199-F238 HydrophobicContact CE3-CZ 4.36Å; W199-F238 HydrophobicContact CG-CD1 4.21Å; W199-F238 AromaticContact CG-CE1 3.89Å; W199-F238 HydrophobicContact CG-CE1 3.89Å; W199-F238 HydrophobicContact CG-CE2 4.28Å; W199-F238 AromaticContact CG-CZ 3.93Å; W199-F238 HydrophobicContact CG-CZ 3.93Å; W199-F238 AromaticContact CH2-CD1 3.93Å; W199-F238 HydrophobicContact CH2-CD1 3.93Å; W199-F238 HydrophobicContact CZ2-CD1 4.12Å; W199-F238 HydrophobicContact CZ2-CE1 4.43Å; W199-F238 HydrophobicContact CZ3-CB 3.49Å; W199-F238 VanDerWaalsContact CZ3-CB 3.49Å; W199-F238 AromaticContact CZ3-CD1 3.46Å; W199-F238 HydrophobicContact CZ3-CD1 3.46Å; W199-F238 VanDerWaalsContact CZ3-CD1 3.46Å; W199-F238 HydrophobicContact CZ3-CE1 4.38Å; W199-F238 AromaticContact CZ3-CG 3.66Å; W199-F238 HydrophobicContact CZ3-CG 3.66Å; P205-F238 HydrophobicContact CB-CE2 3.57Å; P205-F238 HydrophobicContact CB-CZ 3.95Å; P205-F238 HydrophobicContact CG-CE2 4.27Å; F209-F238 AromaticContact CE2-CD1 3.7Å; F209-F238 HydrophobicContact CE2-CD1 3.7Å; F209-F238 AromaticContact CE2-CD2 3.94Å; F209-F238 HydrophobicContact CE2-CD2 3.94Å; F209-F238 AromaticContact CE2-CE1 3.67Å; F209-F238 HydrophobicContact CE2-CE1 3.67Å; F209-F238 AromaticContact CE2-CE2 3.94Å; F209-F238 HydrophobicContact CE2-CE2 3.94Å; F209-F238 AromaticContact CE2-CG 3.81Å; F209-F238 HydrophobicContact CE2-CG 3.81Å; F209-F238 AromaticContact CE2-CZ 3.79Å; F209-F238 HydrophobicContact CE2-CZ 3.79Å; F209-F238 AromaticContact CZ-CD1 3.41Å; F209-F238 HydrophobicContact CZ-CD1 3.41Å; F209-F238 VanDerWaalsContact CZ-CD1 3.41Å; F209-F238 HydrophobicContact CZ-CD2 4.46Å; F209-F238 AromaticContact CZ-CE1 3.56Å; F209-F238 HydrophobicContact CZ-CE1 3.56Å; F209-F238 AromaticContact CZ-CG 3.88Å; F209-F238 HydrophobicContact CZ-CG 3.88Å; F209-F238 HydrophobicContact CZ-CZ 4.17Å; V226-F238 HydrophobicContact CG1-CD1 4.35Å; V226-F238 HydrophobicContact CG1-CE1 3.85Å; T234-F238 HydrophobicContact CG2-CB 3.76Å; T234-F238 HydrophobicContact CG2-CD2 4.39Å; T234-F238 HydrophobicContact CG2-CG 4.27Å; P235-F238 HydrophobicContact CB-CD2 3.95Å; P235-F238 HydrophobicContact CB-CE2 4.29Å; P235-F238 HydrophobicContact CG-CD2 3.98Å; P235-F238 HydrophobicContact CG-CE2 4.01Å; P235-F238 PolarHBondContact O-N 2.94Å; G236-F238 PolarHBondContact O-N 2.91Å; F238-H240 VanDerWaalsContact C-N 3.29Å; F238-H240 PolarHBondContact O-N 3.05Å; F238-F241 PolarHBondContact O-N 2.94Å; F238-F243 HydrophobicContact CB-CE2 4.45Å; F238-F243 AromaticContact CD1-CE2 3.98Å; F238-F243 HydrophobicContact CD1-CE2 3.98Å; F238-F243 AromaticContact CD1-CZ 3.91Å; F238-F243 HydrophobicContact CD1-CZ 3.91Å
239E57.8Low52.8Low142 Ų14299.6 Ų99.666%0.66454%0.536SS*.Hα-helixtrans-68.9-30.6177.1-64.9-175.1168.800111.8G236 F241G236-E239 PolarHBondContact O-N 3.03Å; E239-F241 VanDerWaalsContact C-N 3.34Å
240H55Low51.6Low158 Ų15899.3 Ų99.373%0.73154%0.539SS*.THydrogen-bonded Turntrans-79.4-14.3178.6-67.1-60.2000114.2G236 F238G236-H240 PolarHBondContact O-CD2 2.99Å; G236-H240 PolarHBondContact O-N 2.65Å; F238-H240 VanDerWaalsContact C-N 3.29Å; F238-H240 PolarHBondContact O-N 3.05Å
241F54.1Low50.6Low61 Ų61100.6 Ų100.627%0.26854%0.543SS..SBendtrans-100.198.3171.7-97.8-95000108.6F209 L212 R213 F238 E239 F243F209-F241 AromaticContact CD1-CD2 3.44Å; F209-F241 HydrophobicContact CD1-CD2 3.44Å; F209-F241 VanDerWaalsContact CD1-CD2 3.44Å; F209-F241 AromaticContact CD1-CE2 3.6Å; F209-F241 HydrophobicContact CD1-CE2 3.6Å; F209-F241 HydrophobicContact CD1-CG 4Å; F209-F241 HydrophobicContact CD1-CZ 4.27Å; F209-F241 HydrophobicContact CE1-CB 3.98Å; F209-F241 HydrophobicContact CE1-CD1 4.39Å; F209-F241 AromaticContact CE1-CD2 3.64Å; F209-F241 HydrophobicContact CE1-CD2 3.64Å; F209-F241 HydrophobicContact CE1-CE2 4.21Å; F209-F241 AromaticContact CE1-CG 3.74Å; F209-F241 HydrophobicContact CE1-CG 3.74Å; F209-F241 HydrophobicContact CG-CD2 4.39Å; F209-F241 HydrophobicContact CG-CE2 4.47Å; L212-F241 HydrophobicContact CB-CZ 4.48Å; R213-F241 HydrophobicContact CG-CE2 4.49Å; F238-F241 PolarHBondContact O-N 2.94Å; E239-F241 VanDerWaalsContact C-N 3.34Å; F241-F243 VanDerWaalsContact C-N 3.32Å; F241-F243 HydrophobicContact CB-CE1 4.35Å; F241-F243 HydrophobicContact CB-CE2 4.24Å; F241-F243 HydrophobicContact CB-CZ 3.99Å; F241-F243 VanDerWaalsContact O-CD2 3.25Å; F241-F243 WeakPolarHBondContact O-CD2 3.29Å; F241-F243 WeakPolarHBondContact O-CE2 3.21Å; F241-F243 PolarHBondContact O-N 2.7Å
242I47.3Very low49.9Very low160 Ų160100.9 Ų100.982%0.82155%0.553SS**  trans-64.997.8167.7-59.5175000106.7
243F48.5Very low49.3Very low50 Ų50101.5 Ų101.522%0.21953%0.527CS..PPolyproline II helixtrans-65.6126.7169.2-63.2-72.1000107.7W199 F209 L224 V226 F238 F241 S245W199-F243 AromaticContact CH2-CD2 3.68Å; W199-F243 HydrophobicContact CH2-CD2 3.68Å; W199-F243 AromaticContact CH2-CE2 3.39Å; W199-F243 HydrophobicContact CH2-CE2 3.39Å; W199-F243 HydrophobicContact CH2-CZ 4.25Å; W199-F243 HydrophobicContact CZ2-CD2 4.41Å; W199-F243 HydrophobicContact CZ2-CE2 4.07Å; W199-F243 HydrophobicContact CZ3-CD2 4.46Å; W199-F243 AromaticContact CZ3-CE2 3.93Å; W199-F243 HydrophobicContact CZ3-CE2 3.93Å; F209-F243 HydrophobicContact CE1-CZ 4.24Å; F209-F243 HydrophobicContact CZ-CZ 4.09Å; L224-F243 HydrophobicContact CD2-CE1 4.43Å; V226-F243 HydrophobicContact CB-CD1 4.02Å; V226-F243 HydrophobicContact CB-CE1 3.49Å; V226-F243 VanDerWaalsContact CB-CE1 3.49Å; V226-F243 HydrophobicContact CB-CZ 3.88Å; V226-F243 HydrophobicContact CG1-CE1 4.11Å; V226-F243 HydrophobicContact CG1-CZ 3.97Å; V226-F243 HydrophobicContact CG2-CD1 4.07Å; V226-F243 HydrophobicContact CG2-CE1 3.22Å; V226-F243 HydrophobicContact CG2-CZ 3.76Å; F238-F243 HydrophobicContact CB-CE2 4.45Å; F238-F243 AromaticContact CD1-CE2 3.98Å; F238-F243 HydrophobicContact CD1-CE2 3.98Å; F238-F243 AromaticContact CD1-CZ 3.91Å; F238-F243 HydrophobicContact CD1-CZ 3.91Å; F241-F243 VanDerWaalsContact C-N 3.32Å; F241-F243 HydrophobicContact CB-CE1 4.35Å; F241-F243 HydrophobicContact CB-CE2 4.24Å; F241-F243 HydrophobicContact CB-CZ 3.99Å; F241-F243 VanDerWaalsContact O-CD2 3.25Å; F241-F243 WeakPolarHBondContact O-CD2 3.29Å; F241-F243 WeakPolarHBondContact O-CE2 3.21Å; F241-F243 PolarHBondContact O-N 2.7Å; F243-S245 PolarHBondContact O-N 2.67Å
244P36.9Very low48.8Very low113 Ų11396.1 Ų96.173%0.73451%0.506SS*.PPolyproline II helixtrans-54.7118.6166.2-18.529.9000107F246P244-F246 PolarHBondContact O-N 2.82Å; P244-F246 VanDerWaalsContact O-N 3.14Å
245S30.2Very low48.2Very low114 Ų11499.9 Ų99.980%0.79752%0.523SS*.PPolyproline II helixtrans-52.5120.4176.839.30000109.2F243 Q247F243-S245 PolarHBondContact O-N 2.67Å; S245-Q247 PolarHBondContact O-N 3.05Å; S245-Q247 VanDerWaalsContact O-N 3.15Å
246F32.7Very low47.4Very low140 Ų140107.8 Ų107.861%0.61456%0.563SS**  trans-58.3113.3171.3-72.1-89.8000108.9L227 P244L227-F246 HydrophobicContact CD2-CZ 4.43Å; P244-F246 PolarHBondContact O-N 2.82Å; P244-F246 VanDerWaalsContact O-N 3.14Å
247Q29.5Very low46.3Very low260 Ų260114.1 Ų114.1100%1.21558%0.578SS**  trans-86.60151.6-79.6-171.2-35.600108.3S245S245-Q247 PolarHBondContact O-N 3.05Å; S245-Q247 VanDerWaalsContact O-N 3.15Å

Retrieved 247 of 247 residues in 101.6 ms (Link to these results)

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