A0A077Z0B8_TRITR Loading...

Ras protein let 60

AlphaFold DB , UniProt , Accession A0A077Z0B8, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 231 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
1M48.2Very low58.9Low113 Ų11332.7 Ų32.756%0.55719%0.19SC*.  01490-68.1-162.3-17200108.8F3 C49 L50M1-F3 HydrophobicContact CB-CE1 4.33Å; M1-F3 HydrophobicContact CB-CE2 3.76Å; M1-F3 HydrophobicContact CB-CZ 3.66Å; M1-F3 HydrophobicContact CG-CZ 4.37Å; M1-F3 HydrophobicContact SD-CE1 4.36Å; M1-F3 HydrophobicContact SD-CZ 3.86Å; M1-C49 HydrophobicContact CB-CB 4.35Å; M1-L50 CarbonylContact O-C 3.55Å; M1-L50 WeakPolarHBondContact O-CA 3.45Å; M1-L50 WeakPolarHBondContact O-CB 3.45Å; M1-L50 PolarHBondContact O-N 2.96Å
2H44.5Very low61.4Low56 Ų5630.2 Ų30.226%0.25918%0.175SC..  trans-102.7147.6175.3-166.2-105.6000107.7L50 D52H2-L50 VanDerWaalsContact CA-O 3.25Å; H2-L50 WeakPolarHBondContact CA-O 3.33Å; H2-D52 WeakPolarHBondContact CD2-CB 3.48Å; H2-D52 WeakPolarHBondContact CE1-CB 3.26Å; H2-D52 IonicContact CE1-OD1 3.75Å; H2-D52 IonicContact CE1-OD2 3.1Å; H2-D52 PolarHBondContact CE1-OD2 3.45Å; H2-D52 IonicContact ND1-OD2 3.37Å; H2-D52 WeakPolarHBondContact NE2-CB 3.13Å; H2-D52 IonicContact NE2-OD1 2.82Å; H2-D52 PolarHBondContact NE2-OD1 3.36Å; H2-D52 IonicContact NE2-OD2 3.46Å; H2-D52 PolarHBondContact NE2-OD2 2.92Å
3F52.9Low63.6Low0 Ų029 Ų290%017%0.173CC..  trans-145.5121.8179.2-62-67000109.8M1 F5 C49 L50 L51 D52 V196 I199M1-F3 HydrophobicContact CB-CE1 4.33Å; M1-F3 HydrophobicContact CB-CE2 3.76Å; M1-F3 HydrophobicContact CB-CZ 3.66Å; M1-F3 HydrophobicContact CG-CZ 4.37Å; M1-F3 HydrophobicContact SD-CE1 4.36Å; M1-F3 HydrophobicContact SD-CZ 3.86Å; F3-F5 HydrophobicContact CB-CE2 3.99Å; F3-F5 HydrophobicContact CB-CZ 3.98Å; F3-F5 VanDerWaalsContact O-CE2 3.29Å; F3-F5 WeakPolarHBondContact O-CE2 3.27Å; F3-C49 HydrophobicContact CD2-CB 4.47Å; F3-C49 HydrophobicContact CE2-CB 3.79Å; F3-L50 PolarHBondContact N-O 3.43Å; F3-L51 HydrophobicContact CD2-CD2 3.94Å; F3-D52 CarbonylContact C-O 3.6Å; F3-D52 CarbonylContact O-C 3.59Å; F3-D52 WeakPolarHBondContact O-CA 3.44Å; F3-D52 PolarHBondContact O-N 3.36Å; F3-V196 HydrophobicContact CD2-CB 4.5Å; F3-V196 HydrophobicContact CD2-CG1 4.23Å; F3-V196 HydrophobicContact CD2-CG2 3.67Å; F3-V196 HydrophobicContact CE2-CB 4.23Å; F3-V196 HydrophobicContact CE2-CG1 3.52Å; F3-V196 HydrophobicContact CE2-CG2 3.85Å; F3-V196 HydrophobicContact CG-CG2 4.13Å; F3-V196 HydrophobicContact CZ-CB 4.47Å; F3-V196 HydrophobicContact CZ-CG1 3.68Å; F3-V196 HydrophobicContact CZ-CG2 4.47Å; F3-I199 HydrophobicContact CB-CD1 4.07Å; F3-I199 HydrophobicContact CD1-CB 3.89Å; F3-I199 HydrophobicContact CD1-CD1 3.31Å; F3-I199 HydrophobicContact CD1-CG1 4.17Å; F3-I199 HydrophobicContact CD1-CG2 3.66Å; F3-I199 HydrophobicContact CE1-CB 3.65Å; F3-I199 HydrophobicContact CE1-CD1 4Å; F3-I199 HydrophobicContact CE1-CG1 4.42Å; F3-I199 HydrophobicContact CE1-CG2 3.42Å; F3-I199 VanDerWaalsContact CE1-CG2 3.42Å; F3-I199 HydrophobicContact CG-CD1 3.98Å
4R54.2Low65.4Low59 Ų5927.4 Ų27.422%0.22316%0.163CC..  trans-116.3128.8-175.4-177.5179-64.3165.3-4.8113.4D52 L54 T72 E74 G75R4-D52 WeakPolarHBondContact CA-O 3.35Å; R4-D52 WeakPolarHBondContact CB-O 3.39Å; R4-D52 IonicContact CZ-OD2 3.7Å; R4-D52 IonicContact NE-OD2 3.87Å; R4-D52 PolarHBondContact NE-OD2 2.78Å; R4-D52 VanDerWaalsContact NE-OD2 3.07Å; R4-D52 IonicContact NH2-OD2 3.64Å; R4-D52 PolarHBondContact NH2-OD2 3.31Å; R4-L54 HydrophobicContact CG-CB 3.95Å; R4-T72 PolarHBondContact NH1-OG1 2.91Å; R4-E74 PolarHBondContact O-N 3.49Å; R4-G75 CarbonylContact C-O 3.44Å; R4-G75 PolarHBondContact O-N 3.33Å
5F53.4Low66.9Low0 Ų026.8 Ų26.80%016%0.161CC..  trans-114.1153.5-172-51.2-90.2000110.8F3 I53 G75 L77 F192 L195F3-F5 HydrophobicContact CB-CE2 3.99Å; F3-F5 HydrophobicContact CB-CZ 3.98Å; F3-F5 VanDerWaalsContact O-CE2 3.29Å; F3-F5 WeakPolarHBondContact O-CE2 3.27Å; F5-I53 HydrophobicContact CB-CG2 4.21Å; F5-I53 HydrophobicContact CD2-CB 4.1Å; F5-I53 HydrophobicContact CD2-CG1 3.73Å; F5-I53 HydrophobicContact CD2-CG2 4.01Å; F5-I53 HydrophobicContact CE2-CG1 3.93Å; F5-I53 HydrophobicContact CG-CG2 4.46Å; F5-G75 WeakPolarHBondContact CA-O 3.11Å; F5-L77 HydrophobicContact CD1-CD1 4.13Å; F5-L77 HydrophobicContact CD1-CG 3.95Å; F5-F192 HydrophobicContact CD1-CD1 4.3Å; F5-F192 HydrophobicContact CD1-CE1 4.42Å; F5-F192 HydrophobicContact CD2-CD1 4.33Å; F5-F192 HydrophobicContact CD2-CE1 4.24Å; F5-F192 HydrophobicContact CE1-CD1 4.01Å; F5-F192 HydrophobicContact CE2-CD1 4.06Å; F5-F192 HydrophobicContact CE2-CE1 4.41Å; F5-F192 HydrophobicContact CG-CD1 4.45Å; F5-F192 HydrophobicContact CG-CE1 4.25Å; F5-F192 AromaticContact CZ-CD1 3.89Å; F5-F192 HydrophobicContact CZ-CD1 3.89Å; F5-L195 HydrophobicContact CD1-CD2 3.31Å; F5-L195 HydrophobicContact CD1-CG 4.17Å; F5-L195 HydrophobicContact CE1-CB 4.04Å; F5-L195 HydrophobicContact CE1-CD2 3.3Å; F5-L195 HydrophobicContact CE1-CG 3.65Å
6H58.5Low68.5Low11 Ų1126.5 Ų26.55%0.05116%0.162CC..  trans-148164.1176-51.992.1000111L54 Y69 F76 L77H6-L54 WeakPolarHBondContact NE2-CD2 3.4Å; H6-Y69 VanDerWaalsContact CD2-CB 3.45Å; H6-Y69 WeakPolarHBondContact CD2-CB 3.43Å; H6-Y69 AromaticContact CD2-CG 3.99Å; H6-Y69 VanDerWaalsContact CE1-C 3.48Å; H6-Y69 PolarHBondContact CE1-O 3.43Å; H6-Y69 VanDerWaalsContact NE2-CB 3.29Å; H6-Y69 WeakPolarHBondContact NE2-CB 3.39Å; H6-Y69 AromaticContact NE2-CG 3.85Å; H6-F76 HydrophobicContact CB-CD1 3.99Å; H6-F76 HydrophobicContact CB-CE1 4.3Å; H6-F76 AromaticContact ND1-CD1 3.55Å; H6-F76 AromaticContact ND1-CE1 3.16Å; H6-F76 WeakPolarHBondContact ND1-CE1 3.44Å; H6-L77 VanDerWaalsContact O-O 3.06Å
7F60.2Low69.9Low5 Ų525.2 Ų25.22%0.02215%0.154CC..  trans-152.8109.7-144.4-95.2-38.5000109K14 T18 I53 T56 L77 V79 F192F7-K14 HydrophobicContact CB-CB 3.93Å; F7-K14 HydrophobicContact CB-CD 3.32Å; F7-K14 VanDerWaalsContact CB-CE 3.41Å; F7-K14 HydrophobicContact CB-CG 3.98Å; F7-K14 HydrophobicContact CD1-CB 3.67Å; F7-K14 HydrophobicContact CD1-CD 3.9Å; F7-K14 HydrophobicContact CD1-CG 3.73Å; F7-K14 HydrophobicContact CD2-CB 3.83Å; F7-K14 HydrophobicContact CE1-CB 4.12Å; F7-K14 HydrophobicContact CE1-CG 4.44Å; F7-K14 HydrophobicContact CE2-CB 4.25Å; F7-K14 HydrophobicContact CG-CB 3.53Å; F7-K14 HydrophobicContact CG-CD 3.78Å; F7-K14 HydrophobicContact CG-CG 3.87Å; F7-K14 HydrophobicContact CZ-CB 4.38Å; F7-K14 VanDerWaalsContact O-CE 3.28Å; F7-K14 WeakPolarHBondContact O-CE 3.32Å; F7-T18 VanDerWaalsContact CE2-OG1 3.3Å; F7-T18 WeakPolarHBondContact CE2-OG1 3.39Å; F7-I53 HydrophobicContact CE2-CG2 4.4Å; F7-T56 PolarHBondContact O-OG1 3.47Å; F7-L77 HydrophobicContact CD1-CB 4.18Å; F7-L77 HydrophobicContact CE1-CB 3.6Å; F7-L77 HydrophobicContact CE1-CD1 3.73Å; F7-L77 HydrophobicContact CE1-CG 4.29Å; F7-L77 HydrophobicContact CZ-CB 4.31Å; F7-L77 HydrophobicContact CZ-CD1 3.63Å; F7-V79 HydrophobicContact CD1-CB 4.47Å; F7-V79 HydrophobicContact CD1-CG2 3.54Å; F7-V79 HydrophobicContact CE1-CG2 3.32Å; F7-F192 HydrophobicContact CZ-CZ 4.32Å
8P59.6Low71.2Confident19 Ų1923.8 Ų23.812%0.12315%0.145CC..  trans-100.4-17.8-157.337.1-38.6000116.8Y94P8-Y94 HydrophobicContact CB-CD1 3.45Å; P8-Y94 VanDerWaalsContact CB-CD1 3.45Å; P8-Y94 HydrophobicContact CB-CD2 3.59Å; P8-Y94 HydrophobicContact CB-CE1 3.46Å; P8-Y94 VanDerWaalsContact CB-CE1 3.46Å; P8-Y94 HydrophobicContact CB-CE2 3.55Å; P8-Y94 HydrophobicContact CB-CG 3.51Å; P8-Y94 VanDerWaalsContact CB-CZ 3.48Å; P8-Y94 HydrophobicContact CG-CD1 4.01Å; P8-Y94 HydrophobicContact CG-CD2 3.16Å; P8-Y94 HydrophobicContact CG-CE1 4.2Å; P8-Y94 HydrophobicContact CG-CE2 3.35Å; P8-Y94 HydrophobicContact CG-CG 3.5Å; P8-Y94 VanDerWaalsContact CG-CG 3.5Å; P8-Y94 PolarHBondContact O-OH 3.28Å
9D62.6Low72.3Confident30 Ų3023.9 Ų23.916%0.1614%0.144CC..SBendtrans-116.1143.8-172.1-156.9-5000113.6V12 K14 S87 Y94D9-V12 HydrophobicContact CB-CG1 3.86Å; D9-V12 HydrophobicContact CB-CG2 4.25Å; D9-K14 WeakPolarHBondContact O-CD 3.44Å; D9-K14 WeakPolarHBondContact O-CE 3.48Å; D9-K14 PolarHBondContact O-NZ 3.47Å; D9-S87 WeakPolarHBondContact OD2-CA 3.46Å; D9-S87 WeakPolarHBondContact OD2-CB 3.45Å; D9-Y94 HydrophobicContact CB-CE2 4.35Å
10G71.8Confident73.4Confident34 Ų3423.3 Ų23.335%0.35114%0.14SC..THydrogen-bonded Turntrans-67.6148.917500000112V12G10-V12 PolarHBondContact O-N 3.05Å
11G81.5Confident74.4Confident33 Ų3322.1 Ų22.134%0.3413%0.133SC..THydrogen-bonded Turntrans65.3-3.1167.800000118.2G13 K153G11-G13 PolarHBondContact O-N 3.07Å; G11-K153 VanDerWaalsContact O-CE 3.32Å; G11-K153 WeakPolarHBondContact O-CE 3.37Å; G11-K153 PolarHBondContact O-NZ 3.31Å
12V89.5Confident76.6Confident2 Ų218.3 Ų18.31%0.01211%0.114CC..SBendtrans-74.2-7.7178-58.90000113.7D9 G10 K14 V79 A81 N152D9-V12 HydrophobicContact CB-CG1 3.86Å; D9-V12 HydrophobicContact CB-CG2 4.25Å; G10-V12 PolarHBondContact O-N 3.05Å; V12-K14 HydrophobicContact CG2-CD 3.77Å; V12-K14 HydrophobicContact CG2-CG 3.41Å; V12-K14 VanDerWaalsContact CG2-CG 3.41Å; V12-V79 HydrophobicContact CB-CG1 4.12Å; V12-V79 HydrophobicContact CG2-CB 3.91Å; V12-V79 HydrophobicContact CG2-CG1 3.72Å; V12-A81 HydrophobicContact CB-CB 4.28Å; V12-A81 HydrophobicContact CG1-CB 4.3Å; V12-N152 PolarHBondContact O-ND2 3.37Å
13G89.9Confident78.9Confident15 Ų1521 Ų2116%0.15513%0.127CC..SBendtrans92.233.117600000115G11 A16 L17G11-G13 PolarHBondContact O-N 3.07Å; G13-A16 PolarHBondContact O-N 3.47Å; G13-L17 VanDerWaalsContact O-CG 3.32Å; G13-L17 WeakPolarHBondContact O-CG 3.44Å; G13-L17 PolarHBondContact O-N 2.99Å
14K88.5Confident80.8Confident7 Ų726.1 Ų26.13%0.0315%0.154CC..Hα-helixtrans-60.1-54.9179-50.3-176.8-40.6-670111.6F7 D9 V12 A16 L17 T18 T56F7-K14 HydrophobicContact CB-CB 3.93Å; F7-K14 HydrophobicContact CB-CD 3.32Å; F7-K14 VanDerWaalsContact CB-CE 3.41Å; F7-K14 HydrophobicContact CB-CG 3.98Å; F7-K14 HydrophobicContact CD1-CB 3.67Å; F7-K14 HydrophobicContact CD1-CD 3.9Å; F7-K14 HydrophobicContact CD1-CG 3.73Å; F7-K14 HydrophobicContact CD2-CB 3.83Å; F7-K14 HydrophobicContact CE1-CB 4.12Å; F7-K14 HydrophobicContact CE1-CG 4.44Å; F7-K14 HydrophobicContact CE2-CB 4.25Å; F7-K14 HydrophobicContact CG-CB 3.53Å; F7-K14 HydrophobicContact CG-CD 3.78Å; F7-K14 HydrophobicContact CG-CG 3.87Å; F7-K14 HydrophobicContact CZ-CB 4.38Å; F7-K14 VanDerWaalsContact O-CE 3.28Å; F7-K14 WeakPolarHBondContact O-CE 3.32Å; D9-K14 WeakPolarHBondContact O-CD 3.44Å; D9-K14 WeakPolarHBondContact O-CE 3.48Å; D9-K14 PolarHBondContact O-NZ 3.47Å; V12-K14 HydrophobicContact CG2-CD 3.77Å; V12-K14 HydrophobicContact CG2-CG 3.41Å; V12-K14 VanDerWaalsContact CG2-CG 3.41Å; K14-A16 VanDerWaalsContact C-N 3.33Å; K14-A16 PolarHBondContact O-N 3.41Å; K14-L17 WeakPolarHBondContact O-CB 3.43Å; K14-L17 PolarHBondContact O-N 3.41Å; K14-T18 PolarHBondContact O-N 2.71Å; K14-T18 PolarHBondContact O-OG1 3.47Å; K14-T18 VanDerWaalsContact O-OG1 3.11Å; K14-T56 VanDerWaalsContact CE-O 3.26Å; K14-T56 WeakPolarHBondContact CE-O 3.42Å; K14-T56 PolarHBondContact NZ-O 3.03Å
15S88.3Confident82.7Confident18 Ų1828.3 Ų28.313%0.12617%0.167CC..Hα-helixtrans-61.1-42.8175-29.60000111.5L17 T18 I19 T33 D55S15-L17 PolarHBondContact O-N 3.21Å; S15-T18 PolarHBondContact O-N 3.09Å; S15-T18 VanDerWaalsContact O-N 3.17Å; S15-I19 WeakPolarHBondContact O-CB 3.39Å; S15-I19 VanDerWaalsContact O-CG1 3.26Å; S15-I19 WeakPolarHBondContact O-CG1 3.39Å; S15-I19 PolarHBondContact O-N 3.3Å; S15-T33 WeakPolarHBondContact CB-OG1 3.25Å; S15-T33 PolarHBondContact OG-OG1 3.09Å; S15-D55 WeakPolarHBondContact CA-OD2 3.39Å; S15-D55 WeakPolarHBondContact CB-OD2 3.49Å; S15-D55 PolarHBondContact OG-OD2 2.99Å; S15-D55 VanDerWaalsContact OG-OD2 3.06Å
16A92.3Very high84.5Confident22 Ų2231.1 Ų31.118%0.18218%0.179CC..Hα-helixtrans-60.9-41.1176.600000112.5G13 K14 Q20 F26 A182G13-A16 PolarHBondContact O-N 3.47Å; K14-A16 VanDerWaalsContact C-N 3.33Å; K14-A16 PolarHBondContact O-N 3.41Å; A16-Q20 WeakPolarHBondContact O-CB 3.48Å; A16-Q20 PolarHBondContact O-N 2.95Å; A16-F26 HydrophobicContact CB-CD2 4.27Å; A16-F26 HydrophobicContact CB-CE2 3.94Å; A16-A182 HydrophobicContact CB-CB 3.66Å
17L93.1Very high85.9Confident4 Ų433.7 Ų33.72%0.02120%0.196CC..Hα-helixtrans-64-44.5173.7-73.8171.2000111.6G13 K14 S15 Q20 L21 V79 V150 N152 T180 A182 V188 F192G13-L17 VanDerWaalsContact O-CG 3.32Å; G13-L17 WeakPolarHBondContact O-CG 3.44Å; G13-L17 PolarHBondContact O-N 2.99Å; K14-L17 WeakPolarHBondContact O-CB 3.43Å; K14-L17 PolarHBondContact O-N 3.41Å; S15-L17 PolarHBondContact O-N 3.21Å; L17-Q20 PolarHBondContact O-N 3.34Å; L17-L21 WeakPolarHBondContact O-CB 3.44Å; L17-L21 PolarHBondContact O-N 3.5Å; L17-V79 HydrophobicContact CD1-CG1 4.07Å; L17-V79 HydrophobicContact CD1-CG2 4.22Å; L17-V150 HydrophobicContact CD1-CG1 4.05Å; L17-N152 HydrophobicContact CD1-CB 4.23Å; L17-T180 HydrophobicContact CD2-CG2 4.46Å; L17-T180 WeakPolarHBondContact CD2-OG1 3.39Å; L17-A182 HydrophobicContact CD2-CB 3.91Å; L17-A182 HydrophobicContact CG-CB 4.14Å; L17-V188 HydrophobicContact CD2-CG1 4.43Å; L17-V188 HydrophobicContact CD2-CG2 3.72Å; L17-F192 HydrophobicContact CB-CE2 4.41Å
18T91.8Very high87.1Confident0 Ų041.3 Ų41.30%023%0.232CC..Hα-helixtrans-63.1-52.4179.6-60.10000111.2F7 K14 S15 Q20 L21 I22 Y38 I53 D55F7-T18 VanDerWaalsContact CE2-OG1 3.3Å; F7-T18 WeakPolarHBondContact CE2-OG1 3.39Å; K14-T18 PolarHBondContact O-N 2.71Å; K14-T18 PolarHBondContact O-OG1 3.47Å; K14-T18 VanDerWaalsContact O-OG1 3.11Å; S15-T18 PolarHBondContact O-N 3.09Å; S15-T18 VanDerWaalsContact O-N 3.17Å; T18-Q20 VanDerWaalsContact C-N 3.32Å; T18-Q20 PolarHBondContact O-N 3.01Å; T18-L21 PolarHBondContact O-N 3.02Å; T18-I22 HydrophobicContact CG2-CG1 4.22Å; T18-I22 WeakPolarHBondContact O-CB 3.42Å; T18-I22 WeakPolarHBondContact O-CG1 3.42Å; T18-I22 PolarHBondContact O-N 3.1Å; T18-Y38 HydrophobicContact CG2-CD2 3.4Å; T18-Y38 VanDerWaalsContact CG2-CD2 3.4Å; T18-Y38 HydrophobicContact CG2-CE2 3.82Å; T18-Y38 HydrophobicContact CG2-CG 4.01Å; T18-I53 HydrophobicContact CG2-CB 4.16Å; T18-I53 HydrophobicContact CG2-CD1 4.26Å; T18-I53 HydrophobicContact CG2-CG2 3.69Å; T18-D55 HydrophobicContact CG2-CB 4.41Å
19I92.2Very high88.2Confident26 Ų2648.6 Ų48.613%0.13326%0.264CS..Hα-helixtrans-62.2-41.9179.2-65.5167.6000110S15 L21 I22 Q23 V27S15-I19 WeakPolarHBondContact O-CB 3.39Å; S15-I19 VanDerWaalsContact O-CG1 3.26Å; S15-I19 WeakPolarHBondContact O-CG1 3.39Å; S15-I19 PolarHBondContact O-N 3.3Å; I19-L21 VanDerWaalsContact C-N 3.34Å; I19-L21 PolarHBondContact O-N 2.89Å; I19-I22 PolarHBondContact O-N 3.02Å; I19-Q23 HydrophobicContact CG2-CB 4.28Å; I19-Q23 HydrophobicContact CG2-CG 4.32Å; I19-Q23 WeakPolarHBondContact O-CA 3.03Å; I19-Q23 WeakPolarHBondContact O-CB 3.38Å; I19-Q23 PolarHBondContact O-N 3.34Å; I19-V27 HydrophobicContact CG2-CG2 4.16Å
20Q95.2Very high88.7Confident11 Ų1154.6 Ų54.65%0.05129%0.286CS..Hα-helixtrans-61.5-42.9176.9-175.370.6-42.300111.9A16 L17 T18 N24 H25 A182 R185 V188A16-Q20 WeakPolarHBondContact O-CB 3.48Å; A16-Q20 PolarHBondContact O-N 2.95Å; L17-Q20 PolarHBondContact O-N 3.34Å; T18-Q20 VanDerWaalsContact C-N 3.32Å; T18-Q20 PolarHBondContact O-N 3.01Å; Q20-N24 VanDerWaalsContact O-CA 3.29Å; Q20-N24 WeakPolarHBondContact O-CA 3.37Å; Q20-N24 PolarHBondContact O-N 2.98Å; Q20-N24 VanDerWaalsContact O-N 3.09Å; Q20-H25 WeakPolarHBondContact CA-O 3.42Å; Q20-H25 VanDerWaalsContact OE1-CA 3.29Å; Q20-H25 PolarHBondContact OE1-O 3.45Å; Q20-H25 VanDerWaalsContact OE1-O 3.04Å; Q20-A182 VanDerWaalsContact CD-O 3.23Å; Q20-A182 VanDerWaalsContact CG-O 3.24Å; Q20-A182 WeakPolarHBondContact CG-O 3.47Å; Q20-A182 PolarHBondContact NE2-O 3.3Å; Q20-R185 HydrophobicContact CG-CB 4.09Å; Q20-R185 HydrophobicContact CG-CG 4.01Å; Q20-V188 HydrophobicContact CG-CG1 4.49Å; Q20-V188 HydrophobicContact CG-CG2 4.31Å
21L95Very high88.9Confident0 Ų059.2 Ų59.20%030%0.302CS..Hα-helixtrans-63.4-47.6174.5176.668000111.4L17 T18 I19 K40 L51 I53 V188 F192L17-L21 WeakPolarHBondContact O-CB 3.44Å; L17-L21 PolarHBondContact O-N 3.5Å; T18-L21 PolarHBondContact O-N 3.02Å; I19-L21 VanDerWaalsContact C-N 3.34Å; I19-L21 PolarHBondContact O-N 2.89Å; L21-K40 PolarHBondContact O-NZ 3.45Å; L21-L51 HydrophobicContact CD2-CD1 3.9Å; L21-I53 HydrophobicContact CD2-CD1 3.58Å; L21-V188 HydrophobicContact CB-CG1 3.98Å; L21-F192 HydrophobicContact CB-CD2 4.3Å; L21-F192 HydrophobicContact CB-CE2 4.14Å; L21-F192 HydrophobicContact CD1-CD2 4.48Å; L21-F192 HydrophobicContact CD2-CB 3.84Å; L21-F192 HydrophobicContact CD2-CD1 3.66Å; L21-F192 HydrophobicContact CD2-CD2 3.49Å; L21-F192 VanDerWaalsContact CD2-CD2 3.49Å; L21-F192 HydrophobicContact CD2-CE1 3.99Å; L21-F192 HydrophobicContact CD2-CE2 3.82Å; L21-F192 HydrophobicContact CD2-CG 3.4Å; L21-F192 HydrophobicContact CD2-CZ 4.06Å; L21-F192 HydrophobicContact CG-CD2 4.29Å
22I93.3Very high88.8Confident32 Ų3261.5 Ų61.516%0.16431%0.311CS..Hα-helixtrans-74.1-53.7-170.2-64.3-68.4000110.7T18 I19 Y38 K40 I53T18-I22 HydrophobicContact CG2-CG1 4.22Å; T18-I22 WeakPolarHBondContact O-CB 3.42Å; T18-I22 WeakPolarHBondContact O-CG1 3.42Å; T18-I22 PolarHBondContact O-N 3.1Å; I19-I22 PolarHBondContact O-N 3.02Å; I22-Y38 HydrophobicContact CG1-CD1 4.48Å; I22-Y38 HydrophobicContact CG1-CG 4.23Å; I22-Y38 HydrophobicContact CG2-CD1 4.22Å; I22-K40 HydrophobicContact CD1-CB 3.49Å; I22-K40 VanDerWaalsContact CD1-CB 3.49Å; I22-K40 HydrophobicContact CD1-CD 4.08Å; I22-K40 HydrophobicContact CD1-CG 4.44Å; I22-K40 PolarHBondContact O-NZ 2.91Å; I22-K40 VanDerWaalsContact O-NZ 3.13Å; I22-I53 HydrophobicContact CD1-CD1 3.82Å; I22-I53 HydrophobicContact CG1-CD1 4.17Å
23Q92.7Very high88.2Confident114 Ų11462.3 Ų62.353%0.53332%0.316SS..Hα-helixtrans-100.5-7.2-168.5-57.8-177-2.700114.2I19 H25I19-Q23 HydrophobicContact CG2-CB 4.28Å; I19-Q23 HydrophobicContact CG2-CG 4.32Å; I19-Q23 WeakPolarHBondContact O-CA 3.03Å; I19-Q23 WeakPolarHBondContact O-CB 3.38Å; I19-Q23 PolarHBondContact O-N 3.34Å; Q23-H25 HydrophobicContact CB-CB 4.42Å; Q23-H25 PolarHBondContact O-N 3Å
24N93.8Very high87.5Confident106 Ų10668.7 Ų68.757%0.56735%0.345SS*.SBendtrans54.339.5-172.3-171.438.5000112.3Q20 R185Q20-N24 VanDerWaalsContact O-CA 3.29Å; Q20-N24 WeakPolarHBondContact O-CA 3.37Å; Q20-N24 PolarHBondContact O-N 2.98Å; Q20-N24 VanDerWaalsContact O-N 3.09Å; N24-R185 VanDerWaalsContact CB-NH1 3.29Å; N24-R185 PolarHBondContact OD1-NH1 3.43Å
25H93.4Very high87.1Confident106 Ų10671.8 Ų71.849%0.49136%0.36SS..  trans-143.9142.7-179.5-176.364.3000110.8Q20 Q23Q20-H25 WeakPolarHBondContact CA-O 3.42Å; Q20-H25 VanDerWaalsContact OE1-CA 3.29Å; Q20-H25 PolarHBondContact OE1-O 3.45Å; Q20-H25 VanDerWaalsContact OE1-O 3.04Å; Q23-H25 HydrophobicContact CB-CB 4.42Å; Q23-H25 PolarHBondContact O-N 3Å
26F92.3Very high86.9Confident58 Ų5874.3 Ų74.325%0.25437%0.372SS..  trans-107.2118.4173.7176.6-99.9000109.1A16 E28 A182 K183A16-F26 HydrophobicContact CB-CD2 4.27Å; A16-F26 HydrophobicContact CB-CE2 3.94Å; F26-E28 HydrophobicContact CD1-CG 4.1Å; F26-E28 HydrophobicContact CE1-CG 4.05Å; F26-A182 HydrophobicContact CD2-CB 4.21Å; F26-A182 HydrophobicContact CE2-CB 4.2Å; F26-K183 HydrophobicContact CD1-CB 4.44Å; F26-K183 HydrophobicContact CD1-CG 4.17Å; F26-K183 HydrophobicContact CD2-CB 4.28Å; F26-K183 HydrophobicContact CE1-CB 4.37Å; F26-K183 HydrophobicContact CE1-CG 4.19Å; F26-K183 HydrophobicContact CE2-CB 4.2Å; F26-K183 HydrophobicContact CG-CB 4.4Å; F26-K183 HydrophobicContact CZ-CB 4.25Å
27V86.7Confident86.7Confident66 Ų6676.8 Ų76.840%0.439%0.387SS..  trans-84.6116.5176.2-173.90000108.2I19 E29I19-V27 HydrophobicContact CG2-CG2 4.16Å; V27-E29 WeakPolarHBondContact CG1-O 3.37Å
28E84.7Confident86.6Confident165 Ų16578.5 Ų78.577%0.77139%0.394SS*.  trans-73.1-33.3180-63.4-166.5154.500112.5F26F26-E28 HydrophobicContact CD1-CG 4.1Å; F26-E28 HydrophobicContact CE1-CG 4.05Å
29E83.8Confident86.6Confident172 Ų17286 Ų8680%0.80442%0.422SS*.SBendtrans-78.8123.8179.4-144.8169.9-159.700110V27V27-E29 WeakPolarHBondContact CG1-O 3.37Å
30Y72.7Confident86.6Confident156 Ų15687.4 Ų87.461%0.61243%0.427SS*.  trans-87.3115.7-178.1177.6-106.5000110.7P32Y30-P32 HydrophobicContact CD1-CG 4.37Å; Y30-P32 HydrophobicContact CE1-CB 4.45Å; Y30-P32 HydrophobicContact CE1-CG 3.74Å
31D77.1Confident86.6Confident131 Ų13193.9 Ų93.970%0.70146%0.457SS*.  trans-111.9119.6167.5-169.411.3000109.5T33D31-T33 PolarHBondContact O-N 3.28Å; D31-T33 VanDerWaalsContact O-N 3.08Å
32P78.3Confident86.6Confident81 Ų8194.4 Ų94.453%0.52646%0.461SS..  trans-56.4113.1174.4-23.732.5000112.2Y30 I34Y30-P32 HydrophobicContact CD1-CG 4.37Å; Y30-P32 HydrophobicContact CE1-CB 4.45Å; Y30-P32 HydrophobicContact CE1-CG 3.74Å; P32-I34 PolarHBondContact O-N 3.31Å
33T76.7Confident86.7Confident19 Ų1997.3 Ų97.312%0.11748%0.48CS..  trans-65.3134.5174.7-51.40000110.6S15 D31 D36 A57S15-T33 WeakPolarHBondContact CB-OG1 3.25Å; S15-T33 PolarHBondContact OG-OG1 3.09Å; D31-T33 PolarHBondContact O-N 3.28Å; D31-T33 VanDerWaalsContact O-N 3.08Å; T33-D36 HydrophobicContact CG2-CB 4.46Å; T33-A57 WeakPolarHBondContact O-CA 3.5Å; T33-A57 WeakPolarHBondContact O-CB 3.26Å; T33-A57 PolarHBondContact O-N 2.98Å
34I74.9Confident86.7Confident148 Ų14892.1 Ų92.176%0.75946%0.456SS*.SBendtrans-83.3-66.5166-62.8175.5000108.4P32 A57P32-I34 PolarHBondContact O-N 3.31Å; I34-A57 PolarHBondContact O-N 3.49Å
35E80.2Confident86.8Confident73 Ų7391.7 Ų91.734%0.34145%0.454SS..EExtended strand (participates in β ladder)trans-163.1130.3173.3178.5177.4119.200109.3L54 D55 Y69E35-L54 HydrophobicContact CG-CD1 3.79Å; E35-L54 HydrophobicContact CG-CG 4.44Å; E35-D55 CarbonylContact C-O 3.45Å; E35-D55 VanDerWaalsContact CA-O 3.28Å; E35-D55 WeakPolarHBondContact CA-O 3.38Å; E35-Y69 PolarHBondContact OE1-OH 3Å; E35-Y69 VanDerWaalsContact OE2-CE2 3.31Å; E35-Y69 WeakPolarHBondContact OE2-CE2 3.39Å; E35-Y69 PolarHBondContact OE2-OH 2.8Å
36D85.6Confident86.9Confident71 Ų7190 Ų9038%0.3847%0.465SS..EExtended strand (participates in β ladder)trans-133.1144.8173.5-74.7-51.2000110.8T33 Y38 D55T33-D36 HydrophobicContact CG2-CB 4.46Å; D36-Y38 HydrophobicContact CB-CD2 4.2Å; D36-Y38 HydrophobicContact CB-CE2 3.35Å; D36-Y38 PolarHBondContact OD2-OH 3.45Å; D36-D55 HydrophobicContact CB-CB 4.42Å; D36-D55 PolarHBondContact N-O 2.91Å; D36-D55 PolarHBondContact O-N 3.37Å
37S87.6Confident86.9Confident73 Ų7392.3 Ų92.351%0.5148%0.476SS..EExtended strand (participates in β ladder)trans-115.4123.4174.6-1780000110.5I53S37-I53 WeakPolarHBondContact CA-O 3.45Å
38Y91Very high87.2Confident41 Ų4193.1 Ų93.116%0.16148%0.481CS..EExtended strand (participates in β ladder)trans-117.4142.9-179.9-58.9-85.6000111.1T18 I22 D36 D52 I53 D55T18-Y38 HydrophobicContact CG2-CD2 3.4Å; T18-Y38 VanDerWaalsContact CG2-CD2 3.4Å; T18-Y38 HydrophobicContact CG2-CE2 3.82Å; T18-Y38 HydrophobicContact CG2-CG 4.01Å; I22-Y38 HydrophobicContact CG1-CD1 4.48Å; I22-Y38 HydrophobicContact CG1-CG 4.23Å; I22-Y38 HydrophobicContact CG2-CD1 4.22Å; D36-Y38 HydrophobicContact CB-CD2 4.2Å; D36-Y38 HydrophobicContact CB-CE2 3.35Å; D36-Y38 PolarHBondContact OD2-OH 3.45Å; Y38-D52 CarbonylContact O-C 3.4Å; Y38-D52 WeakPolarHBondContact O-CA 3.41Å; Y38-I53 PolarHBondContact N-O 3.03Å; Y38-I53 PolarHBondContact O-N 3.15Å; Y38-D55 HydrophobicContact CD2-CB 4.32Å; Y38-D55 HydrophobicContact CE2-CB 3.95Å
39R92Very high87.5Confident158 Ų15885.3 Ų85.360%0.59645%0.445SS*.EExtended strand (participates in β ladder)trans-126.9133.9175.4-71.8-178.2179.2175.24.6111.7L50 L51 D52R39-L50 HydrophobicContact CB-CD1 4.19Å; R39-L51 VanDerWaalsContact CA-O 3.22Å; R39-L51 WeakPolarHBondContact CA-O 3.47Å; R39-D52 HydrophobicContact CG-CB 4.4Å; R39-D52 WeakPolarHBondContact CG-OD1 3.37Å; R39-D52 IonicContact CZ-OD1 3.83Å; R39-D52 IonicContact NE-OD1 2.79Å; R39-D52 PolarHBondContact NE-OD1 2.99Å; R39-D52 IonicContact NH2-OD1 4Å
40K92.2Very high88Confident54 Ų5479.9 Ų79.924%0.23542%0.422CS..EExtended strand (participates in β ladder)trans-143.7126.8175.7-174.9169.6180159.50111.6L21 I22 V42 L51L21-K40 PolarHBondContact O-NZ 3.45Å; I22-K40 HydrophobicContact CD1-CB 3.49Å; I22-K40 VanDerWaalsContact CD1-CB 3.49Å; I22-K40 HydrophobicContact CD1-CD 4.08Å; I22-K40 HydrophobicContact CD1-CG 4.44Å; I22-K40 PolarHBondContact O-NZ 2.91Å; I22-K40 VanDerWaalsContact O-NZ 3.13Å; K40-V42 HydrophobicContact CD-CG1 4.17Å; K40-V42 HydrophobicContact CG-CG1 3.86Å; K40-L51 PolarHBondContact N-O 3.15Å; K40-L51 PolarHBondContact O-N 2.91Å
41Q94.8Very high88.9Confident147 Ų14772.5 Ų72.569%0.68739%0.392SS*.EExtended strand (participates in β ladder)trans-82128.3171-171.9174.263.200109.3T48 C49Q41-T48 HydrophobicContact CG-CG2 3.54Å; Q41-C49 WeakPolarHBondContact CA-O 3.42Å
42V94Very high89.6Confident12 Ų1266.2 Ų66.27%0.07336%0.359CS..EExtended strand (participates in β ladder)trans-137.9157.7179.9-61.90000110.1K40 I44 T48 C49 L51 Y193K40-V42 HydrophobicContact CD-CG1 4.17Å; K40-V42 HydrophobicContact CG-CG1 3.86Å; V42-I44 HydrophobicContact CG2-CD1 3.67Å; V42-I44 HydrophobicContact CG2-CG1 3.82Å; V42-T48 CarbonylContact O-C 3.55Å; V42-T48 WeakPolarHBondContact O-CA 3.46Å; V42-C49 PolarHBondContact N-O 3.32Å; V42-C49 PolarHBondContact O-N 3.45Å; V42-C49 VanDerWaalsContact O-O 3.12Å; V42-L51 HydrophobicContact CG1-CD1 4.2Å; V42-L51 HydrophobicContact CG2-CD1 3.9Å; V42-L51 HydrophobicContact CG2-CD2 3.93Å; V42-L51 HydrophobicContact CG2-CG 3.76Å; V42-Y193 HydrophobicContact CB-CE1 4.5Å; V42-Y193 HydrophobicContact CG1-CE1 4.49Å; V42-Y193 HydrophobicContact CG2-CE1 4.29Å
43V95.2Very high90.2Very high93 Ų9362.4 Ų62.456%0.56433%0.334SS*.EExtended strand (participates in β ladder)trans-106.8114.1172.3-178.10000108
44I94.3Very high90.7Very high4 Ų462 Ų622%0.02133%0.331CS..EExtended strand (participates in β ladder)trans-121119.3179.7-59.2167.9000107.9V42 G46 E47 L51 Y193 V196 R200V42-I44 HydrophobicContact CG2-CD1 3.67Å; V42-I44 HydrophobicContact CG2-CG1 3.82Å; I44-G46 VanDerWaalsContact C-N 3.32Å; I44-G46 PolarHBondContact O-N 3.13Å; I44-E47 PolarHBondContact N-O 3Å; I44-E47 PolarHBondContact O-N 2.97Å; I44-L51 HydrophobicContact CD1-CD2 4.45Å; I44-Y193 HydrophobicContact CD1-CD1 3.25Å; I44-Y193 HydrophobicContact CD1-CE1 3.8Å; I44-Y193 HydrophobicContact CD1-CG 3.79Å; I44-Y193 HydrophobicContact CG1-CD1 3.68Å; I44-Y193 HydrophobicContact CG1-CD2 4.36Å; I44-Y193 HydrophobicContact CG1-CE1 3.98Å; I44-Y193 HydrophobicContact CG1-CG 3.89Å; I44-Y193 HydrophobicContact CG2-CG 4.46Å; I44-V196 HydrophobicContact CD1-CB 3.91Å; I44-V196 HydrophobicContact CD1-CG1 3.85Å; I44-V196 HydrophobicContact CD1-CG2 3.82Å; I44-R200 PolarHBondContact O-NH1 3.4Å; I44-R200 PolarHBondContact O-NH2 3.2Å
45D95.2Very high91.2Very high98 Ų9854.9 Ų54.952%0.52430%0.295SS..THydrogen-bonded Turntrans58.541.6-177.8-47.7-38.2000112.3E47 R197 R200D45-E47 PolarHBondContact O-N 3.27Å; D45-R197 IonicContact OD1-CZ 3.41Å; D45-R197 IonicContact OD1-NE 3.07Å; D45-R197 PolarHBondContact OD1-NE 3.49Å; D45-R197 IonicContact OD1-NH2 2.83Å; D45-R197 PolarHBondContact OD1-NH2 2.8Å; D45-R197 WeakPolarHBondContact OD2-CG 3.45Å; D45-R197 IonicContact OD2-CZ 2.97Å; D45-R197 IonicContact OD2-NE 3.18Å; D45-R197 PolarHBondContact OD2-NE 3.23Å; D45-R197 IonicContact OD2-NH2 3.98Å; D45-R200 IonicContact OD2-NH1 3.18Å
46G94.4Very high91Very high71 Ų7151.7 Ų51.773%0.73228%0.28SS*.THydrogen-bonded Turntrans76.9-7.1-179.300000115.1I44I44-G46 VanDerWaalsContact C-N 3.32Å; I44-G46 PolarHBondContact O-N 3.13Å
47E93.8Very high90.2Very high105 Ų10549.3 Ų49.349%0.49127%0.271SS..EExtended strand (participates in β ladder)trans-104.2125.1179.7-74.5-175.2-178.900111.8I44 D45 C49 R200I44-E47 PolarHBondContact N-O 3Å; I44-E47 PolarHBondContact O-N 2.97Å; D45-E47 PolarHBondContact O-N 3.27Å; E47-C49 PolarHBondContact O-N 3.35Å; E47-R200 IonicContact OE2-CZ 2.62Å; E47-R200 IonicContact OE2-NE 3Å; E47-R200 PolarHBondContact OE2-NE 3.32Å; E47-R200 IonicContact OE2-NH2 3.17Å; E47-R200 PolarHBondContact OE2-NH2 2.99Å
48T92.5Very high89Confident83 Ų8346.8 Ų46.851%0.50926%0.256SS..EExtended strand (participates in β ladder)trans-69.3126172.8-52.20000111.3Q41 V42Q41-T48 HydrophobicContact CG-CG2 3.54Å; V42-T48 CarbonylContact O-C 3.55Å; V42-T48 WeakPolarHBondContact O-CA 3.46Å
49C91.4Very high87.5Confident2 Ų245.4 Ų45.41%0.01425%0.251CS..EExtended strand (participates in β ladder)trans-133.5161.1172.168.90000112.1M1 F3 Q41 V42 E47M1-C49 HydrophobicContact CB-CB 4.35Å; F3-C49 HydrophobicContact CD2-CB 4.47Å; F3-C49 HydrophobicContact CE2-CB 3.79Å; Q41-C49 WeakPolarHBondContact CA-O 3.42Å; V42-C49 PolarHBondContact N-O 3.32Å; V42-C49 PolarHBondContact O-N 3.45Å; V42-C49 VanDerWaalsContact O-O 3.12Å; E47-C49 PolarHBondContact O-N 3.35Å
50L93.1Very high86Confident58 Ų5843.9 Ų43.930%0.30425%0.251SS..EExtended strand (participates in β ladder)trans-108.6115.2177.4179.666.3000107.5M1 H2 F3 R39M1-L50 CarbonylContact O-C 3.55Å; M1-L50 WeakPolarHBondContact O-CA 3.45Å; M1-L50 WeakPolarHBondContact O-CB 3.45Å; M1-L50 PolarHBondContact O-N 2.96Å; H2-L50 VanDerWaalsContact CA-O 3.25Å; H2-L50 WeakPolarHBondContact CA-O 3.33Å; F3-L50 PolarHBondContact N-O 3.43Å; R39-L50 HydrophobicContact CB-CD1 4.19Å
51L92.6Very high84.1Confident0 Ų047.4 Ų47.40%027%0.268CS..EExtended strand (participates in β ladder)trans-79.4131.8169.7-48-174.5000107.6F3 L21 R39 K40 V42 I44 I53 V196F3-L51 HydrophobicContact CD2-CD2 3.94Å; L21-L51 HydrophobicContact CD2-CD1 3.9Å; R39-L51 VanDerWaalsContact CA-O 3.22Å; R39-L51 WeakPolarHBondContact CA-O 3.47Å; K40-L51 PolarHBondContact N-O 3.15Å; K40-L51 PolarHBondContact O-N 2.91Å; V42-L51 HydrophobicContact CG1-CD1 4.2Å; V42-L51 HydrophobicContact CG2-CD1 3.9Å; V42-L51 HydrophobicContact CG2-CD2 3.93Å; V42-L51 HydrophobicContact CG2-CG 3.76Å; I44-L51 HydrophobicContact CD1-CD2 4.45Å; L51-I53 HydrophobicContact CB-CG1 4.24Å; L51-V196 HydrophobicContact CD2-CG2 3.65Å
52D92.1Very high82.5Confident0 Ų047 Ų470%026%0.261CS..EExtended strand (participates in β ladder)trans-12381.8175.1-179.365.5000109.2H2 F3 R4 Y38 R39H2-D52 WeakPolarHBondContact CD2-CB 3.48Å; H2-D52 WeakPolarHBondContact CE1-CB 3.26Å; H2-D52 IonicContact CE1-OD1 3.75Å; H2-D52 IonicContact CE1-OD2 3.1Å; H2-D52 PolarHBondContact CE1-OD2 3.45Å; H2-D52 IonicContact ND1-OD2 3.37Å; H2-D52 WeakPolarHBondContact NE2-CB 3.13Å; H2-D52 IonicContact NE2-OD1 2.82Å; H2-D52 PolarHBondContact NE2-OD1 3.36Å; H2-D52 IonicContact NE2-OD2 3.46Å; H2-D52 PolarHBondContact NE2-OD2 2.92Å; F3-D52 CarbonylContact C-O 3.6Å; F3-D52 CarbonylContact O-C 3.59Å; F3-D52 WeakPolarHBondContact O-CA 3.44Å; F3-D52 PolarHBondContact O-N 3.36Å; R4-D52 WeakPolarHBondContact CA-O 3.35Å; R4-D52 WeakPolarHBondContact CB-O 3.39Å; R4-D52 IonicContact CZ-OD2 3.7Å; R4-D52 IonicContact NE-OD2 3.87Å; R4-D52 PolarHBondContact NE-OD2 2.78Å; R4-D52 VanDerWaalsContact NE-OD2 3.07Å; R4-D52 IonicContact NH2-OD2 3.64Å; R4-D52 PolarHBondContact NH2-OD2 3.31Å; Y38-D52 CarbonylContact O-C 3.4Å; Y38-D52 WeakPolarHBondContact O-CA 3.41Å; R39-D52 HydrophobicContact CG-CB 4.4Å; R39-D52 WeakPolarHBondContact CG-OD1 3.37Å; R39-D52 IonicContact CZ-OD1 3.83Å; R39-D52 IonicContact NE-OD1 2.79Å; R39-D52 PolarHBondContact NE-OD1 2.99Å; R39-D52 IonicContact NH2-OD1 4Å
53I90.4Very high81Confident0 Ų049.8 Ų49.80%028%0.281CS..EExtended strand (participates in β ladder)trans-84.1123.7-170.5-46.7178.5000108.4F5 F7 T18 L21 I22 S37 Y38 L51 F192F5-I53 HydrophobicContact CB-CG2 4.21Å; F5-I53 HydrophobicContact CD2-CB 4.1Å; F5-I53 HydrophobicContact CD2-CG1 3.73Å; F5-I53 HydrophobicContact CD2-CG2 4.01Å; F5-I53 HydrophobicContact CE2-CG1 3.93Å; F5-I53 HydrophobicContact CG-CG2 4.46Å; F7-I53 HydrophobicContact CE2-CG2 4.4Å; T18-I53 HydrophobicContact CG2-CB 4.16Å; T18-I53 HydrophobicContact CG2-CD1 4.26Å; T18-I53 HydrophobicContact CG2-CG2 3.69Å; L21-I53 HydrophobicContact CD2-CD1 3.58Å; I22-I53 HydrophobicContact CD1-CD1 3.82Å; I22-I53 HydrophobicContact CG1-CD1 4.17Å; S37-I53 WeakPolarHBondContact CA-O 3.45Å; Y38-I53 PolarHBondContact N-O 3.03Å; Y38-I53 PolarHBondContact O-N 3.15Å; L51-I53 HydrophobicContact CB-CG1 4.24Å; I53-F192 HydrophobicContact CD1-CD1 4.09Å; I53-F192 HydrophobicContact CD1-CE1 3.64Å; I53-F192 HydrophobicContact CD1-CZ 4.22Å; I53-F192 HydrophobicContact CG1-CE1 4.3Å; I53-F192 HydrophobicContact CG2-CE1 4.2Å
54L87.7Confident79.5Confident10 Ų1048.8 Ų48.85%0.05228%0.282CS..EExtended strand (participates in β ladder)trans-99.3107.2170.1-168.866.6000107.6R4 H6 E35 T56 Y69R4-L54 HydrophobicContact CG-CB 3.95Å; H6-L54 WeakPolarHBondContact NE2-CD2 3.4Å; E35-L54 HydrophobicContact CG-CD1 3.79Å; E35-L54 HydrophobicContact CG-CG 4.44Å; L54-T56 HydrophobicContact CD2-CG2 4.24Å; L54-T56 HydrophobicContact CG-CG2 4.04Å; L54-Y69 HydrophobicContact CD2-CD1 3.32Å; L54-Y69 HydrophobicContact CD2-CD2 4.2Å; L54-Y69 HydrophobicContact CD2-CE1 3.62Å; L54-Y69 HydrophobicContact CD2-CE2 4.4Å; L54-Y69 HydrophobicContact CD2-CG 3.71Å
55D85.4Confident78.2Confident0 Ų052.5 Ų52.50%030%0.301CS..EExtended strand (participates in β ladder)trans-90.3127.2174.4-170.629.5000109.1S15 T18 E35 D36 Y38S15-D55 WeakPolarHBondContact CA-OD2 3.39Å; S15-D55 WeakPolarHBondContact CB-OD2 3.49Å; S15-D55 PolarHBondContact OG-OD2 2.99Å; S15-D55 VanDerWaalsContact OG-OD2 3.06Å; T18-D55 HydrophobicContact CG2-CB 4.41Å; E35-D55 CarbonylContact C-O 3.45Å; E35-D55 VanDerWaalsContact CA-O 3.28Å; E35-D55 WeakPolarHBondContact CA-O 3.38Å; D36-D55 HydrophobicContact CB-CB 4.42Å; D36-D55 PolarHBondContact N-O 2.91Å; D36-D55 PolarHBondContact O-N 3.37Å; Y38-D55 HydrophobicContact CD2-CB 4.32Å; Y38-D55 HydrophobicContact CE2-CB 3.95Å
56T75.1Confident77Confident5 Ų550.5 Ų50.53%0.03129%0.286CS..EExtended strand (participates in β ladder)trans-126.5149.4-172.457.30000110.8F7 K14 L54 Y69F7-T56 PolarHBondContact O-OG1 3.47Å; K14-T56 VanDerWaalsContact CE-O 3.26Å; K14-T56 WeakPolarHBondContact CE-O 3.42Å; K14-T56 PolarHBondContact NZ-O 3.03Å; L54-T56 HydrophobicContact CD2-CG2 4.24Å; L54-T56 HydrophobicContact CG-CG2 4.04Å; T56-Y69 HydrophobicContact CG2-CD2 4.3Å; T56-Y69 HydrophobicContact CG2-CE2 4.49Å
57A69.5Low76.1Confident22 Ų2249.7 Ų49.718%0.18226%0.264CS..  trans-51165.1166.900000112.7T33 I34 Q59T33-A57 WeakPolarHBondContact O-CA 3.5Å; T33-A57 WeakPolarHBondContact O-CB 3.26Å; T33-A57 PolarHBondContact O-N 2.98Å; I34-A57 PolarHBondContact O-N 3.49Å; A57-Q59 HydrophobicContact CB-CG 4.04Å; A57-Q59 WeakPolarHBondContact O-CG 3.22Å; A57-Q59 PolarHBondContact O-N 3.19Å
58G62.7Low75.1Confident19 Ų1949.8 Ų49.820%0.19627%0.265CS..  trans-59.8107.8152.500000106.7
59Q59.4Low74.3Confident12 Ų1246.9 Ų46.96%0.05625%0.245CC..  trans-105.842.1-166.7-77.8-169.31.200111.5A57 E61 Y62 R66A57-Q59 HydrophobicContact CB-CG 4.04Å; A57-Q59 WeakPolarHBondContact O-CG 3.22Å; A57-Q59 PolarHBondContact O-N 3.19Å; Q59-E61 PolarHBondContact O-N 3.35Å; Q59-Y62 PolarHBondContact O-N 3.31Å; Q59-R66 PolarHBondContact O-NH1 2.98Å
60E59.4Low73.6Confident127 Ų12747.3 Ų47.359%0.59325%0.247SC*.SBendtrans-59.3-31.1174.655.4-84.8-15600111.9
61E54.2Low72.8Confident127 Ų12750.6 Ų50.659%0.59326%0.255SS*.SBendtrans-83.1-26.1-178.9-57.182.7-177.600114.5Q59Q59-E61 PolarHBondContact O-N 3.35Å
62Y59.9Low72.2Confident140 Ų14053.7 Ų53.755%0.54927%0.274SS..  trans-10757.5-169.2-60.5-73.3000114Q59 A64 M65 R66Q59-Y62 PolarHBondContact O-N 3.31Å; Y62-A64 VanDerWaalsContact C-N 3.32Å; Y62-A64 PolarHBondContact O-N 2.96Å; Y62-M65 PolarHBondContact O-N 3.3Å; Y62-R66 PolarHBondContact O-N 2.97Å; Y62-R66 VanDerWaalsContact O-N 3.12Å
63S63.1Low71.9Confident69 Ų6953.7 Ų53.748%0.48328%0.275SS..Hα-helixtrans-53.9-41.4-176.461.20000114.3R66 D67S63-R66 PolarHBondContact O-N 2.94Å; S63-D67 WeakPolarHBondContact O-CB 3.13Å; S63-D67 PolarHBondContact O-N 2.9Å
64A62.9Low71.8Confident73 Ų7356.4 Ų56.460%0.60329%0.287SS*.Hα-helixtrans-67.8-37.4-17700000113.8Y62 Q68Y62-A64 VanDerWaalsContact C-N 3.32Å; Y62-A64 PolarHBondContact O-N 2.96Å; A64-Q68 PolarHBondContact O-N 2.84Å
65M67.7Low71.9Confident81 Ų8155.9 Ų55.940%0.39928%0.284SS..Hα-helixtrans-71.4-44175.7-72.2176.166.100110.5Y62 D67 Q68 Y69Y62-M65 PolarHBondContact O-N 3.3Å; M65-D67 PolarHBondContact O-N 3.44Å; M65-Q68 WeakPolarHBondContact O-CB 3.47Å; M65-Q68 PolarHBondContact O-N 2.62Å; M65-Y69 HydrophobicContact CB-CE2 3.82Å; M65-Y69 HydrophobicContact CE-CE2 4.26Å; M65-Y69 WeakPolarHBondContact CE-OH 2.96Å; M65-Y69 WeakPolarHBondContact O-CD2 3Å; M65-Y69 PolarHBondContact O-N 3.41Å; M65-Y69 VanDerWaalsContact O-N 3.09Å
66R69.1Low72.1Confident57 Ų5756 Ų5622%0.21529%0.285CS..Hα-helixtrans-53.5-41.5174.9-173.1176.172.1-146.56.6112.3Q59 Y62 S63 Q68 Y69 M70Q59-R66 PolarHBondContact O-NH1 2.98Å; Y62-R66 PolarHBondContact O-N 2.97Å; Y62-R66 VanDerWaalsContact O-N 3.12Å; S63-R66 PolarHBondContact O-N 2.94Å; R66-Q68 PolarHBondContact O-N 2.78Å; R66-Y69 WeakPolarHBondContact O-CB 3.38Å; R66-Y69 PolarHBondContact O-N 3.17Å; R66-M70 HydrophobicContact CG-CE 3.75Å; R66-M70 HydrophobicContact CG-SD 4.35Å; R66-M70 WeakPolarHBondContact O-CG 3.32Å; R66-M70 PolarHBondContact O-N 2.73Å
67D75.3Confident72.9Confident53 Ų5355.9 Ų55.928%0.28328%0.284SS..Hα-helixtrans-61.8-41.4177.3-92.827.6000112.9S63 M65 Y69 R71 L101S63-D67 WeakPolarHBondContact O-CB 3.13Å; S63-D67 PolarHBondContact O-N 2.9Å; M65-D67 PolarHBondContact O-N 3.44Å; D67-Y69 VanDerWaalsContact C-N 3.34Å; D67-R71 WeakPolarHBondContact O-CB 3.09Å; D67-R71 VanDerWaalsContact O-CG 3.32Å; D67-R71 WeakPolarHBondContact O-CG 3.18Å; D67-R71 PolarHBondContact O-N 3.02Å; D67-R71 IonicContact OD2-NH1 3.23Å; D67-L101 HydrophobicContact CB-CD1 4.24Å; D67-L101 WeakPolarHBondContact OD1-CD1 3.42Å
68Q73.8Confident74Confident108 Ų10855 Ų5551%0.50528%0.276SS..Hα-helixtrans-65.1-40.5177176.3174.5-43.300111.6A64 M65 R66 R71 T72A64-Q68 PolarHBondContact O-N 2.84Å; M65-Q68 WeakPolarHBondContact O-CB 3.47Å; M65-Q68 PolarHBondContact O-N 2.62Å; R66-Q68 PolarHBondContact O-N 2.78Å; Q68-R71 PolarHBondContact O-N 3.35Å; Q68-T72 WeakPolarHBondContact O-CG2 3.37Å; Q68-T72 PolarHBondContact O-N 3.29Å; Q68-T72 PolarHBondContact O-OG1 2.99Å
69Y74.8Confident75.4Confident22 Ų2254 Ų549%0.08627%0.267CS..Hα-helixtrans-64.6-48.2176.3-67.1-25.8000112.4H6 E35 L54 T56 M65 R66 D67 R71 T72 G73H6-Y69 VanDerWaalsContact CD2-CB 3.45Å; H6-Y69 WeakPolarHBondContact CD2-CB 3.43Å; H6-Y69 AromaticContact CD2-CG 3.99Å; H6-Y69 VanDerWaalsContact CE1-C 3.48Å; H6-Y69 PolarHBondContact CE1-O 3.43Å; H6-Y69 VanDerWaalsContact NE2-CB 3.29Å; H6-Y69 WeakPolarHBondContact NE2-CB 3.39Å; H6-Y69 AromaticContact NE2-CG 3.85Å; E35-Y69 PolarHBondContact OE1-OH 3Å; E35-Y69 VanDerWaalsContact OE2-CE2 3.31Å; E35-Y69 WeakPolarHBondContact OE2-CE2 3.39Å; E35-Y69 PolarHBondContact OE2-OH 2.8Å; L54-Y69 HydrophobicContact CD2-CD1 3.32Å; L54-Y69 HydrophobicContact CD2-CD2 4.2Å; L54-Y69 HydrophobicContact CD2-CE1 3.62Å; L54-Y69 HydrophobicContact CD2-CE2 4.4Å; L54-Y69 HydrophobicContact CD2-CG 3.71Å; T56-Y69 HydrophobicContact CG2-CD2 4.3Å; T56-Y69 HydrophobicContact CG2-CE2 4.49Å; M65-Y69 HydrophobicContact CB-CE2 3.82Å; M65-Y69 HydrophobicContact CE-CE2 4.26Å; M65-Y69 WeakPolarHBondContact CE-OH 2.96Å; M65-Y69 WeakPolarHBondContact O-CD2 3Å; M65-Y69 PolarHBondContact O-N 3.41Å; M65-Y69 VanDerWaalsContact O-N 3.09Å; R66-Y69 WeakPolarHBondContact O-CB 3.38Å; R66-Y69 PolarHBondContact O-N 3.17Å; D67-Y69 VanDerWaalsContact C-N 3.34Å; Y69-R71 VanDerWaalsContact C-N 3.27Å; Y69-R71 PolarHBondContact O-N 3.25Å; Y69-T72 PolarHBondContact O-N 2.98Å; Y69-T72 VanDerWaalsContact O-N 3.12Å; Y69-T72 PolarHBondContact O-OG1 3.42Å; Y69-G73 PolarHBondContact O-N 2.87Å
70M77.3Confident77Confident10 Ų1053.5 Ų53.55%0.04926%0.264CS..Hα-helixtrans-60.3-36.3172.4-69.8-176.2-177.300112.1R66 T72 F76 Q97 V98 L101 K102R66-M70 HydrophobicContact CG-CE 3.75Å; R66-M70 HydrophobicContact CG-SD 4.35Å; R66-M70 WeakPolarHBondContact O-CG 3.32Å; R66-M70 PolarHBondContact O-N 2.73Å; M70-T72 PolarHBondContact O-N 3.19Å; M70-F76 HydrophobicContact CB-CE1 4.3Å; M70-F76 HydrophobicContact CB-CZ 4.5Å; M70-F76 HydrophobicContact CG-CE1 4.06Å; M70-F76 WeakPolarHBondContact O-CZ 3.49Å; M70-Q97 HydrophobicContact CE-CB 4.13Å; M70-Q97 HydrophobicContact SD-CB 4.11Å; M70-V98 HydrophobicContact CE-CG2 4.2Å; M70-V98 HydrophobicContact CG-CG2 4.41Å; M70-V98 HydrophobicContact SD-CG2 4.16Å; M70-L101 HydrophobicContact CB-CB 4.26Å; M70-L101 HydrophobicContact CB-CD1 3.49Å; M70-L101 VanDerWaalsContact CB-CD1 3.49Å; M70-L101 HydrophobicContact CG-CD1 4.11Å; M70-L101 HydrophobicContact SD-CD1 3.58Å; M70-L101 VanDerWaalsContact SD-CD1 3.58Å; M70-K102 WeakPolarHBondContact O-CD 3.4Å; M70-K102 WeakPolarHBondContact O-CE 2.87Å; M70-K102 PolarHBondContact O-NZ 2.64Å
71R77Confident78.7Confident127 Ų12747.5 Ų47.548%0.47924%0.236SC..Hα-helixtrans-67.3-34.1174.4-78.7-173.7-66.4-90.2-0.4114.1D67 Q68 Y69 K102D67-R71 WeakPolarHBondContact O-CB 3.09Å; D67-R71 VanDerWaalsContact O-CG 3.32Å; D67-R71 WeakPolarHBondContact O-CG 3.18Å; D67-R71 PolarHBondContact O-N 3.02Å; D67-R71 IonicContact OD2-NH1 3.23Å; Q68-R71 PolarHBondContact O-N 3.35Å; Y69-R71 VanDerWaalsContact C-N 3.27Å; Y69-R71 PolarHBondContact O-N 3.25Å; R71-K102 PolarHBondContact O-NZ 3Å
72T79.9Confident80.7Confident65 Ų6541.4 Ų41.440%0.39921%0.208SC..Hα-helixtrans-93.8-24.1-177.361.60000114.4R4 Q68 Y69 M70R4-T72 PolarHBondContact NH1-OG1 2.91Å; Q68-T72 WeakPolarHBondContact O-CG2 3.37Å; Q68-T72 PolarHBondContact O-N 3.29Å; Q68-T72 PolarHBondContact O-OG1 2.99Å; Y69-T72 PolarHBondContact O-N 2.98Å; Y69-T72 VanDerWaalsContact O-N 3.12Å; Y69-T72 PolarHBondContact O-OG1 3.42Å; M70-T72 PolarHBondContact O-N 3.19Å
73G84.5Confident82.4Confident1 Ų137.3 Ų37.31%0.0120%0.195CC..  trans-61.9137.8-176.900000113.8Y69 K102Y69-G73 PolarHBondContact O-N 2.87Å; G73-K102 WeakPolarHBondContact O-CE 3.44Å; G73-K102 PolarHBondContact O-NZ 3.03Å
74E88.6Confident83.8Confident56 Ų5638.6 Ų38.626%0.26219%0.194SC..SBendtrans-94.2-21.6-179-67.1-178.588.600112.3R4 P146 I199 K203R4-E74 PolarHBondContact O-N 3.49Å; E74-P146 WeakPolarHBondContact O-CG 3.43Å; E74-I199 HydrophobicContact CB-CD1 4.34Å; E74-I199 HydrophobicContact CB-CG2 4.1Å; E74-I199 WeakPolarHBondContact O-CG1 3.4Å; E74-K203 WeakPolarHBondContact OE1-CE 3.07Å; E74-K203 IonicContact OE1-NZ 3.87Å; E74-K203 PolarHBondContact OE1-NZ 3.03Å
75G90.8Very high85.3Confident0 Ų037.4 Ų37.40%018%0.181CC..SBendtrans-158.2161168.900000111.6R4 F5 P146R4-G75 CarbonylContact C-O 3.44Å; R4-G75 PolarHBondContact O-N 3.33Å; F5-G75 WeakPolarHBondContact CA-O 3.11Å; G75-P146 CarbonylContact C-O 3.22Å; G75-P146 WeakPolarHBondContact CA-O 3.37Å
76F90.1Very high86.4Confident3 Ų338.8 Ų38.81%0.01319%0.185CC..EExtended strand (participates in β ladder)trans-131.9138.1-172.7-51.5-102.9000112.2H6 M70 V98 K102 P146 L147 L148 L195H6-F76 HydrophobicContact CB-CD1 3.99Å; H6-F76 HydrophobicContact CB-CE1 4.3Å; H6-F76 AromaticContact ND1-CD1 3.55Å; H6-F76 AromaticContact ND1-CE1 3.16Å; H6-F76 WeakPolarHBondContact ND1-CE1 3.44Å; M70-F76 HydrophobicContact CB-CE1 4.3Å; M70-F76 HydrophobicContact CB-CZ 4.5Å; M70-F76 HydrophobicContact CG-CE1 4.06Å; M70-F76 WeakPolarHBondContact O-CZ 3.49Å; F76-V98 HydrophobicContact CB-CG2 4.39Å; F76-V98 HydrophobicContact CD1-CG2 3.97Å; F76-V98 HydrophobicContact CD2-CG1 3.53Å; F76-V98 HydrophobicContact CD2-CG2 4.29Å; F76-V98 HydrophobicContact CE1-CG2 4.36Å; F76-V98 HydrophobicContact CE2-CG1 3.6Å; F76-V98 HydrophobicContact CG-CG1 4.07Å; F76-V98 HydrophobicContact CG-CG2 3.95Å; F76-V98 HydrophobicContact CZ-CG1 4.15Å; F76-K102 HydrophobicContact CE2-CG 4.45Å; F76-P146 PolarHBondContact N-O 2.93Å; F76-L147 HydrophobicContact CB-CD2 3.65Å; F76-L147 HydrophobicContact CD2-CD2 4.03Å; F76-L147 HydrophobicContact CG-CD2 4.18Å; F76-L147 WeakPolarHBondContact O-CA 3.43Å; F76-L148 PolarHBondContact O-N 3.41Å; F76-L195 WeakPolarHBondContact O-CD2 3.2Å
77L91.7Very high87.4Confident1 Ų136 Ų361%0.00517%0.174CC..EExtended strand (participates in β ladder)trans-95114.1171.8-66.3174.3000108.6F5 H6 F7 V79 L148 V150 F192 L195F5-L77 HydrophobicContact CD1-CD1 4.13Å; F5-L77 HydrophobicContact CD1-CG 3.95Å; H6-L77 VanDerWaalsContact O-O 3.06Å; F7-L77 HydrophobicContact CD1-CB 4.18Å; F7-L77 HydrophobicContact CE1-CB 3.6Å; F7-L77 HydrophobicContact CE1-CD1 3.73Å; F7-L77 HydrophobicContact CE1-CG 4.29Å; F7-L77 HydrophobicContact CZ-CB 4.31Å; F7-L77 HydrophobicContact CZ-CD1 3.63Å; L77-V79 HydrophobicContact CB-CG2 4.07Å; L77-V79 PolarHBondContact O-N 3.17Å; L77-L148 HydrophobicContact CD2-CB 4.04Å; L77-L148 HydrophobicContact CD2-CD2 3.68Å; L77-L148 HydrophobicContact CD2-CG 4.17Å; L77-V150 HydrophobicContact CD2-CG2 3.83Å; L77-F192 HydrophobicContact CD1-CD1 3.94Å; L77-F192 HydrophobicContact CD1-CE1 3.46Å; L77-F192 VanDerWaalsContact CD1-CE1 3.46Å; L77-F192 HydrophobicContact CD1-CE2 4.14Å; L77-F192 HydrophobicContact CD1-CG 4.46Å; L77-F192 HydrophobicContact CD1-CZ 3.58Å; L77-L195 HydrophobicContact CD2-CB 4.36Å; L77-L195 HydrophobicContact CD2-CD2 3.46Å; L77-L195 VanDerWaalsContact CD2-CD2 3.46Å; L77-L195 HydrophobicContact CG-CD2 3.7Å
78L91.1Very high88.3Confident3 Ų334.8 Ų34.82%0.01617%0.166CC..EExtended strand (participates in β ladder)trans-90.892.3172.6-54.3-177.5000107.5I91 R95 L147 L148 V149 V150L78-I91 HydrophobicContact CB-CD1 3.66Å; L78-I91 HydrophobicContact CB-CG2 4.26Å; L78-I91 HydrophobicContact CD1-CG2 4.08Å; L78-I91 WeakPolarHBondContact O-CD1 3.23Å; L78-R95 HydrophobicContact CD1-CB 3.91Å; L78-L147 HydrophobicContact CD1-CD2 4.44Å; L78-L147 HydrophobicContact CG-CD2 4.44Å; L78-L148 PolarHBondContact N-O 3.22Å; L78-V149 WeakPolarHBondContact O-CA 3.3Å; L78-V150 PolarHBondContact O-N 2.96Å
79V92.7Very high89.1Confident0 Ų035 Ų350%017%0.168CC..EExtended strand (participates in β ladder)trans-93.1132.6-175-170.60000110.6F7 V12 L17 L77 V150 N152F7-V79 HydrophobicContact CD1-CB 4.47Å; F7-V79 HydrophobicContact CD1-CG2 3.54Å; F7-V79 HydrophobicContact CE1-CG2 3.32Å; V12-V79 HydrophobicContact CB-CG1 4.12Å; V12-V79 HydrophobicContact CG2-CB 3.91Å; V12-V79 HydrophobicContact CG2-CG1 3.72Å; L17-V79 HydrophobicContact CD1-CG1 4.07Å; L17-V79 HydrophobicContact CD1-CG2 4.22Å; L77-V79 HydrophobicContact CB-CG2 4.07Å; L77-V79 PolarHBondContact O-N 3.17Å; V79-V150 WeakPolarHBondContact CA-O 3.28Å; V79-V150 HydrophobicContact CG1-CG1 4.38Å; V79-V150 HydrophobicContact CG2-CB 4.14Å; V79-V150 HydrophobicContact CG2-CG1 4.49Å; V79-N152 HydrophobicContact CG1-CB 3.93Å
80F94.2Very high89.7Confident0 Ų035.8 Ų35.80%017%0.173CC..EExtended strand (participates in β ladder)trans-126.1161164.272.5-87.8000108.8V82 S87 F88 I91 V149 V150 G151 N152 V161 M163 V166 F177F80-V82 HydrophobicContact CE2-CG1 4.38Å; F80-S87 WeakPolarHBondContact CB-OG 3.25Å; F80-F88 HydrophobicContact CB-CB 4.16Å; F80-F88 AromaticContact CD1-CD2 3.96Å; F80-F88 HydrophobicContact CD1-CD2 3.96Å; F80-F88 HydrophobicContact CD2-CB 3.85Å; F80-F88 HydrophobicContact CD2-CD2 4.39Å; F80-F88 HydrophobicContact CD2-CG 4.49Å; F80-F88 HydrophobicContact CE1-CD2 4.01Å; F80-F88 HydrophobicContact CE2-CB 4.43Å; F80-F88 HydrophobicContact CE2-CD2 4.46Å; F80-F88 HydrophobicContact CG-CB 3.97Å; F80-F88 HydrophobicContact CG-CD2 4.16Å; F80-F88 HydrophobicContact CZ-CD2 4.28Å; F80-I91 HydrophobicContact CB-CD1 4.2Å; F80-I91 HydrophobicContact CB-CG1 4.34Å; F80-I91 HydrophobicContact CD1-CD1 4.23Å; F80-I91 HydrophobicContact CD1-CG1 4.3Å; F80-V149 HydrophobicContact CD1-CG1 4.04Å; F80-V149 HydrophobicContact CE1-CG1 3.79Å; F80-V150 VanDerWaalsContact CD1-O 3.26Å; F80-V150 WeakPolarHBondContact CD1-O 3.45Å; F80-V150 PolarHBondContact N-O 3.09Å; F80-G151 VanDerWaalsContact CE1-CA 3.46Å; F80-N152 PolarHBondContact O-N 3.49Å; F80-V161 HydrophobicContact CD2-CG2 4.42Å; F80-V161 HydrophobicContact CE2-CB 4.32Å; F80-V161 HydrophobicContact CE2-CG1 4.14Å; F80-V161 HydrophobicContact CE2-CG2 4.38Å; F80-M163 HydrophobicContact CE2-CE 4.11Å; F80-M163 HydrophobicContact CZ-CE 4.3Å; F80-M163 HydrophobicContact CZ-SD 4.5Å; F80-V166 HydrophobicContact CE1-CG1 3.68Å; F80-V166 HydrophobicContact CE1-CG2 4.38Å; F80-V166 HydrophobicContact CE2-CG2 4.28Å; F80-V166 HydrophobicContact CZ-CB 4.35Å; F80-V166 HydrophobicContact CZ-CG1 3.7Å; F80-V166 HydrophobicContact CZ-CG2 3.73Å; F80-F177 HydrophobicContact CE1-CD2 4.48Å; F80-F177 AromaticContact CE1-CE2 3.78Å; F80-F177 HydrophobicContact CE1-CE2 3.78Å; F80-F177 AromaticContact CZ-CE2 3.89Å; F80-F177 HydrophobicContact CZ-CE2 3.89Å; F80-F177 HydrophobicContact CZ-CZ 4.25Å
81A94.5Very high90.1Very high1 Ų135.4 Ų35.41%0.00817%0.171CC..EExtended strand (participates in β ladder)trans-98.7134.9172.100000110.3V12 N83 E84 S87 N152 K153V12-A81 HydrophobicContact CB-CB 4.28Å; V12-A81 HydrophobicContact CG1-CB 4.3Å; A81-N83 WeakPolarHBondContact CB-OD1 3.42Å; A81-N83 PolarHBondContact O-N 3.18Å; A81-E84 HydrophobicContact CB-CB 4.1Å; A81-E84 PolarHBondContact O-N 3.4Å; A81-S87 PolarHBondContact N-OG 2.97Å; A81-N152 WeakPolarHBondContact CA-O 3.15Å; A81-K153 HydrophobicContact CB-CD 3.9Å; A81-K153 HydrophobicContact CB-CG 4.25Å
82V96.5Very high90.6Very high0 Ų030 Ų300%016%0.155CC..THydrogen-bonded Turntrans-60.8-22-177-61.80000113.3F80 N152 K153 R159 A160 V161 M163F80-V82 HydrophobicContact CE2-CG1 4.38Å; V82-N152 WeakPolarHBondContact CG1-O 3.36Å; V82-N152 PolarHBondContact N-O 3.36Å; V82-K153 HydrophobicContact CG2-CB 4.37Å; V82-K153 WeakPolarHBondContact CG2-O 3Å; V82-R159 HydrophobicContact CB-CG 4.49Å; V82-R159 HydrophobicContact CG2-CG 4.38Å; V82-R159 WeakPolarHBondContact O-CA 3.13Å; V82-A160 PolarHBondContact O-N 3.48Å; V82-V161 PolarHBondContact O-N 2.86Å; V82-M163 HydrophobicContact CB-CE 4.39Å; V82-M163 HydrophobicContact CG1-CE 4.08Å; V82-M163 HydrophobicContact CG1-SD 4.31Å
83N95.4Very high90.7Very high53 Ų5329.9 Ų29.928%0.28316%0.157SC..THydrogen-bonded Turntrans-94.12.2178.475.2-48.1000113.9A81 L156 Q158 A160A81-N83 WeakPolarHBondContact CB-OD1 3.42Å; A81-N83 PolarHBondContact O-N 3.18Å; N83-L156 HydrophobicContact CB-CD1 4.35Å; N83-Q158 VanDerWaalsContact CB-O 3.24Å; N83-Q158 WeakPolarHBondContact CB-O 3.48Å; N83-A160 WeakPolarHBondContact O-CB 3.31Å
84E92.6Very high90.6Very high97 Ų9731.3 Ų31.345%0.45316%0.162SC..  trans-129.994.2-175-174.159.3-137.300110.7A81 K86 S87A81-E84 HydrophobicContact CB-CB 4.1Å; A81-E84 PolarHBondContact O-N 3.4Å; E84-K86 PolarHBondContact O-N 3.44Å; E84-S87 PolarHBondContact O-N 3.01Å; E84-S87 PolarHBondContact O-OG 3.13Å
85S93.1Very high90.4Very high47 Ų4730.5 Ų30.533%0.32916%0.156SC..Hα-helixtrans-58.4-36.6-175.9-173.10000113S87 F88 E89S85-S87 VanDerWaalsContact C-N 3.25Å; S85-S87 PolarHBondContact O-N 2.77Å; S85-F88 PolarHBondContact O-N 2.99Å; S85-F88 VanDerWaalsContact O-N 3.09Å; S85-E89 PolarHBondContact O-N 2.75Å; S85-E89 VanDerWaalsContact O-N 3.14Å
86K90.9Very high89.9Confident110 Ų11036.3 Ų36.348%0.47818%0.184SC..Hα-helixtrans-61.5-37.8-177.5-171.857.2-179.2177.90112.4E84 F88 E89 N90E84-K86 PolarHBondContact O-N 3.44Å; K86-F88 VanDerWaalsContact C-N 3.27Å; K86-F88 PolarHBondContact O-N 2.6Å; K86-E89 VanDerWaalsContact CD-OE2 3.3Å; K86-E89 WeakPolarHBondContact CD-OE2 3.29Å; K86-E89 IonicContact NZ-OE2 2.88Å; K86-E89 PolarHBondContact NZ-OE2 2.81Å; K86-E89 WeakPolarHBondContact O-CB 3.46Å; K86-E89 PolarHBondContact O-N 3.01Å; K86-N90 VanDerWaalsContact O-CG 3.25Å; K86-N90 PolarHBondContact O-N 2.84Å; K86-N90 PolarHBondContact O-ND2 3.05Å
87S90.9Very high89.3Confident0 Ų038.1 Ų38.10%019%0.192CC..Hα-helixtrans-63.4-33.5178.669.90000112.9D9 F80 A81 E84 S85D9-S87 WeakPolarHBondContact OD2-CA 3.46Å; D9-S87 WeakPolarHBondContact OD2-CB 3.45Å; F80-S87 WeakPolarHBondContact CB-OG 3.25Å; A81-S87 PolarHBondContact N-OG 2.97Å; E84-S87 PolarHBondContact O-N 3.01Å; E84-S87 PolarHBondContact O-OG 3.13Å; S85-S87 VanDerWaalsContact C-N 3.25Å; S85-S87 PolarHBondContact O-N 2.77Å
88F93Very high88.7Confident27 Ų2738.1 Ų38.112%0.11819%0.192CC..Hα-helixtrans-73.5-41174.6175.7-112.8000112.2F80 S85 K86 N90 I91 V161 V165 V166 T169F80-F88 HydrophobicContact CB-CB 4.16Å; F80-F88 AromaticContact CD1-CD2 3.96Å; F80-F88 HydrophobicContact CD1-CD2 3.96Å; F80-F88 HydrophobicContact CD2-CB 3.85Å; F80-F88 HydrophobicContact CD2-CD2 4.39Å; F80-F88 HydrophobicContact CD2-CG 4.49Å; F80-F88 HydrophobicContact CE1-CD2 4.01Å; F80-F88 HydrophobicContact CE2-CB 4.43Å; F80-F88 HydrophobicContact CE2-CD2 4.46Å; F80-F88 HydrophobicContact CG-CB 3.97Å; F80-F88 HydrophobicContact CG-CD2 4.16Å; F80-F88 HydrophobicContact CZ-CD2 4.28Å; S85-F88 PolarHBondContact O-N 2.99Å; S85-F88 VanDerWaalsContact O-N 3.09Å; K86-F88 VanDerWaalsContact C-N 3.27Å; K86-F88 PolarHBondContact O-N 2.6Å; F88-N90 PolarHBondContact O-N 3.2Å; F88-I91 HydrophobicContact CD2-CG1 4.08Å; F88-I91 VanDerWaalsContact O-CB 3.27Å; F88-I91 WeakPolarHBondContact O-CB 3.42Å; F88-I91 VanDerWaalsContact O-CG1 3.24Å; F88-I91 WeakPolarHBondContact O-CG1 3.2Å; F88-I91 PolarHBondContact O-N 2.62Å; F88-V161 HydrophobicContact CB-CG1 4.07Å; F88-V161 HydrophobicContact CB-CG2 3.91Å; F88-V161 HydrophobicContact CD1-CG1 3.75Å; F88-V161 HydrophobicContact CD2-CG1 4.47Å; F88-V161 HydrophobicContact CE1-CG1 4.35Å; F88-V161 HydrophobicContact CG-CG1 3.81Å; F88-V165 HydrophobicContact CE1-CG1 4.09Å; F88-V165 HydrophobicContact CZ-CG1 4.47Å; F88-V166 HydrophobicContact CD1-CG2 4.48Å; F88-V166 HydrophobicContact CD2-CG1 4.35Å; F88-V166 HydrophobicContact CD2-CG2 3.9Å; F88-V166 HydrophobicContact CE1-CG2 4.23Å; F88-V166 HydrophobicContact CE2-CB 3.96Å; F88-V166 HydrophobicContact CE2-CG1 3.81Å; F88-V166 HydrophobicContact CE2-CG2 3.64Å; F88-V166 HydrophobicContact CG-CG2 4.33Å; F88-V166 HydrophobicContact CZ-CB 4.17Å; F88-V166 HydrophobicContact CZ-CG1 4.48Å; F88-V166 HydrophobicContact CZ-CG2 3.82Å; F88-T169 HydrophobicContact CZ-CG2 4.22Å
89E90.6Very high88.1Confident113 Ų11338.2 Ų38.253%0.52819%0.193SC..Hα-helixtrans-56-34.2175.4-68.2171.5-162.600112.2S85 K86 I91S85-E89 PolarHBondContact O-N 2.75Å; S85-E89 VanDerWaalsContact O-N 3.14Å; K86-E89 VanDerWaalsContact CD-OE2 3.3Å; K86-E89 WeakPolarHBondContact CD-OE2 3.29Å; K86-E89 IonicContact NZ-OE2 2.88Å; K86-E89 PolarHBondContact NZ-OE2 2.81Å; K86-E89 WeakPolarHBondContact O-CB 3.46Å; K86-E89 PolarHBondContact O-N 3.01Å; E89-I91 VanDerWaalsContact C-N 3.29Å; E89-I91 PolarHBondContact O-N 2.78Å
90N87.3Confident87.2Confident38 Ų3840.8 Ų40.820%0.20321%0.211CC..THydrogen-bonded Turntrans-72.6-18-178.8-64.7-24.6000113.6K86 F88 G92 S93 Y94K86-N90 VanDerWaalsContact O-CG 3.25Å; K86-N90 PolarHBondContact O-N 2.84Å; K86-N90 PolarHBondContact O-ND2 3.05Å; F88-N90 PolarHBondContact O-N 3.2Å; N90-G92 VanDerWaalsContact C-N 3.27Å; N90-G92 PolarHBondContact O-N 2.83Å; N90-S93 WeakPolarHBondContact O-CB 3.5Å; N90-S93 PolarHBondContact O-N 2.86Å; N90-S93 VanDerWaalsContact O-N 3.07Å; N90-Y94 HydrophobicContact CB-CD2 3.97Å; N90-Y94 HydrophobicContact CB-CE2 3.35Å; N90-Y94 WeakPolarHBondContact O-CD2 3.1Å; N90-Y94 PolarHBondContact O-N 3.25Å
91I87.7Confident86.1Confident2 Ų243 Ų431%0.0122%0.222CC..Hα-helixtrans-55.5-40.9-176.1-65.6-70000112.1L78 F80 F88 E89 Y94 R95 V149L78-I91 HydrophobicContact CB-CD1 3.66Å; L78-I91 HydrophobicContact CB-CG2 4.26Å; L78-I91 HydrophobicContact CD1-CG2 4.08Å; L78-I91 WeakPolarHBondContact O-CD1 3.23Å; F80-I91 HydrophobicContact CB-CD1 4.2Å; F80-I91 HydrophobicContact CB-CG1 4.34Å; F80-I91 HydrophobicContact CD1-CD1 4.23Å; F80-I91 HydrophobicContact CD1-CG1 4.3Å; F88-I91 HydrophobicContact CD2-CG1 4.08Å; F88-I91 VanDerWaalsContact O-CB 3.27Å; F88-I91 WeakPolarHBondContact O-CB 3.42Å; F88-I91 VanDerWaalsContact O-CG1 3.24Å; F88-I91 WeakPolarHBondContact O-CG1 3.2Å; F88-I91 PolarHBondContact O-N 2.62Å; E89-I91 VanDerWaalsContact C-N 3.29Å; E89-I91 PolarHBondContact O-N 2.78Å; I91-Y94 PolarHBondContact O-N 2.71Å; I91-R95 WeakPolarHBondContact O-CB 3.22Å; I91-R95 PolarHBondContact O-N 3.18Å; I91-V149 HydrophobicContact CG2-CG2 4.18Å
92G85.9Confident85.2Confident14 Ų1444.6 Ų44.614%0.14423%0.229CC..Hα-helixtrans-61.1-46178.100000112.4N90 R95 E96N90-G92 VanDerWaalsContact C-N 3.27Å; N90-G92 PolarHBondContact O-N 2.83Å; G92-R95 WeakPolarHBondContact O-CB 3.31Å; G92-R95 PolarHBondContact O-N 3.07Å; G92-E96 WeakPolarHBondContact O-CG 3.14Å; G92-E96 PolarHBondContact O-N 2.75Å
93S82.8Confident83.6Confident61 Ų6144.9 Ų44.943%0.42723%0.231SC..Hα-helixtrans-63.1-44.6177.8177.30000111.8N90 R95 E96 Q97N90-S93 WeakPolarHBondContact O-CB 3.5Å; N90-S93 PolarHBondContact O-N 2.86Å; N90-S93 VanDerWaalsContact O-N 3.07Å; S93-R95 VanDerWaalsContact C-N 3.35Å; S93-R95 PolarHBondContact O-N 2.7Å; S93-E96 PolarHBondContact O-N 2.89Å; S93-Q97 WeakPolarHBondContact O-CG 3.49Å; S93-Q97 PolarHBondContact O-N 2.82Å; S93-Q97 PolarHBondContact OG-NE2 3.46Å
94Y82.5Confident81.7Confident32 Ų3247.4 Ų47.413%0.12524%0.241CC..Hα-helixtrans-65.8-38.3178.7-60.1-43.6000112.6P8 D9 N90 I91 E96 Q97 V98P8-Y94 HydrophobicContact CB-CD1 3.45Å; P8-Y94 VanDerWaalsContact CB-CD1 3.45Å; P8-Y94 HydrophobicContact CB-CD2 3.59Å; P8-Y94 HydrophobicContact CB-CE1 3.46Å; P8-Y94 VanDerWaalsContact CB-CE1 3.46Å; P8-Y94 HydrophobicContact CB-CE2 3.55Å; P8-Y94 HydrophobicContact CB-CG 3.51Å; P8-Y94 VanDerWaalsContact CB-CZ 3.48Å; P8-Y94 HydrophobicContact CG-CD1 4.01Å; P8-Y94 HydrophobicContact CG-CD2 3.16Å; P8-Y94 HydrophobicContact CG-CE1 4.2Å; P8-Y94 HydrophobicContact CG-CE2 3.35Å; P8-Y94 HydrophobicContact CG-CG 3.5Å; P8-Y94 VanDerWaalsContact CG-CG 3.5Å; P8-Y94 PolarHBondContact O-OH 3.28Å; D9-Y94 HydrophobicContact CB-CE2 4.35Å; N90-Y94 HydrophobicContact CB-CD2 3.97Å; N90-Y94 HydrophobicContact CB-CE2 3.35Å; N90-Y94 WeakPolarHBondContact O-CD2 3.1Å; N90-Y94 PolarHBondContact O-N 3.25Å; I91-Y94 PolarHBondContact O-N 2.71Å; Y94-E96 PolarHBondContact O-N 2.83Å; Y94-Q97 PolarHBondContact O-N 3.23Å; Y94-V98 WeakPolarHBondContact O-CG2 3.46Å; Y94-V98 PolarHBondContact O-N 3.33Å
95R83.8Confident79.6Confident38 Ų3847.9 Ų47.914%0.14325%0.253CS..Hα-helixtrans-57.9-48.3171.8172.6-179.3174.7-80.21.2111.1L78 I91 G92 S93 Q97 V98 L99 L147 Y173 I175L78-R95 HydrophobicContact CD1-CB 3.91Å; I91-R95 WeakPolarHBondContact O-CB 3.22Å; I91-R95 PolarHBondContact O-N 3.18Å; G92-R95 WeakPolarHBondContact O-CB 3.31Å; G92-R95 PolarHBondContact O-N 3.07Å; S93-R95 VanDerWaalsContact C-N 3.35Å; S93-R95 PolarHBondContact O-N 2.7Å; R95-Q97 VanDerWaalsContact C-N 3.31Å; R95-Q97 PolarHBondContact O-N 2.9Å; R95-V98 PolarHBondContact O-N 3.33Å; R95-L99 HydrophobicContact CG-CD1 3.74Å; R95-L99 WeakPolarHBondContact O-CB 3.33Å; R95-L99 WeakPolarHBondContact O-CD1 3.49Å; R95-L99 VanDerWaalsContact O-CG 3.24Å; R95-L99 WeakPolarHBondContact O-CG 3.23Å; R95-L99 PolarHBondContact O-N 3.41Å; R95-L147 HydrophobicContact CG-CD1 3.95Å; R95-Y173 VanDerWaalsContact CD-CD2 3.42Å; R95-I175 HydrophobicContact CG-CD1 4.28Å
96E79.6Confident77.5Confident122 Ų12251.6 Ų51.657%0.5727%0.267SS*.Hα-helixtrans-62.2-38.8178.9-73.5179.1-175.400112.4G92 S93 Y94 L99 S100G92-E96 WeakPolarHBondContact O-CG 3.14Å; G92-E96 PolarHBondContact O-N 2.75Å; S93-E96 PolarHBondContact O-N 2.89Å; Y94-E96 PolarHBondContact O-N 2.83Å; E96-L99 PolarHBondContact O-N 3.42Å; E96-S100 WeakPolarHBondContact O-CB 3.03Å; E96-S100 PolarHBondContact O-N 3.1Å; E96-S100 PolarHBondContact O-OG 2.79Å
97Q78.2Confident75.5Confident41 Ų4151.2 Ų51.219%0.19226%0.263CS..Hα-helixtrans-63.1-46.2175.3-71.3175.855.100112.3M70 S93 Y94 R95 L99 S100 L101M70-Q97 HydrophobicContact CE-CB 4.13Å; M70-Q97 HydrophobicContact SD-CB 4.11Å; S93-Q97 WeakPolarHBondContact O-CG 3.49Å; S93-Q97 PolarHBondContact O-N 2.82Å; S93-Q97 PolarHBondContact OG-NE2 3.46Å; Y94-Q97 PolarHBondContact O-N 3.23Å; R95-Q97 VanDerWaalsContact C-N 3.31Å; R95-Q97 PolarHBondContact O-N 2.9Å; Q97-L99 VanDerWaalsContact C-N 3.3Å; Q97-L99 PolarHBondContact O-N 3.05Å; Q97-S100 PolarHBondContact O-N 3.15Å; Q97-S100 PolarHBondContact O-OG 3.42Å; Q97-L101 PolarHBondContact O-N 3.4Å
98V79.4Confident73.5Confident2 Ų253.6 Ų53.61%0.01227%0.273CS..Hα-helixtrans-59.5-46.4176172.70000110.2M70 F76 Y94 R95 S100 L101 K102 L147M70-V98 HydrophobicContact CE-CG2 4.2Å; M70-V98 HydrophobicContact CG-CG2 4.41Å; M70-V98 HydrophobicContact SD-CG2 4.16Å; F76-V98 HydrophobicContact CB-CG2 4.39Å; F76-V98 HydrophobicContact CD1-CG2 3.97Å; F76-V98 HydrophobicContact CD2-CG1 3.53Å; F76-V98 HydrophobicContact CD2-CG2 4.29Å; F76-V98 HydrophobicContact CE1-CG2 4.36Å; F76-V98 HydrophobicContact CE2-CG1 3.6Å; F76-V98 HydrophobicContact CG-CG1 4.07Å; F76-V98 HydrophobicContact CG-CG2 3.95Å; F76-V98 HydrophobicContact CZ-CG1 4.15Å; Y94-V98 WeakPolarHBondContact O-CG2 3.46Å; Y94-V98 PolarHBondContact O-N 3.33Å; R95-V98 PolarHBondContact O-N 3.33Å; V98-S100 PolarHBondContact O-N 3.32Å; V98-L101 PolarHBondContact O-N 3.28Å; V98-K102 HydrophobicContact CG1-CG 4.09Å; V98-K102 WeakPolarHBondContact O-CB 3.19Å; V98-K102 VanDerWaalsContact O-CG 3.23Å; V98-K102 WeakPolarHBondContact O-CG 3.16Å; V98-K102 PolarHBondContact O-N 2.91Å; V98-L147 HydrophobicContact CB-CD2 4.37Å; V98-L147 HydrophobicContact CG1-CD2 3.98Å; V98-L147 HydrophobicContact CG2-CD2 4.42Å
99L78.7Confident71.5Confident4 Ų454.8 Ų54.82%0.02129%0.287CS..Hα-helixtrans-67.2-36.1-177.5-68.3167.3000112.7R95 E96 Q97 L101 K102 C103 Y108 L139R95-L99 HydrophobicContact CG-CD1 3.74Å; R95-L99 WeakPolarHBondContact O-CB 3.33Å; R95-L99 WeakPolarHBondContact O-CD1 3.49Å; R95-L99 VanDerWaalsContact O-CG 3.24Å; R95-L99 WeakPolarHBondContact O-CG 3.23Å; R95-L99 PolarHBondContact O-N 3.41Å; E96-L99 PolarHBondContact O-N 3.42Å; Q97-L99 VanDerWaalsContact C-N 3.3Å; Q97-L99 PolarHBondContact O-N 3.05Å; L99-L101 VanDerWaalsContact C-N 3.32Å; L99-L101 PolarHBondContact O-N 3.02Å; L99-K102 PolarHBondContact O-N 3.12Å; L99-C103 WeakPolarHBondContact O-CB 3.4Å; L99-C103 PolarHBondContact O-N 3.47Å; L99-Y108 WeakPolarHBondContact O-CE2 3.32Å; L99-L139 HydrophobicContact CD1-CD1 3.62Å
100S73.9Confident69.6Low55 Ų5553.7 Ų53.739%0.38529%0.288SS..Hα-helixtrans-65.8-34.7179.374.90000112.9E96 Q97 V98E96-S100 WeakPolarHBondContact O-CB 3.03Å; E96-S100 PolarHBondContact O-N 3.1Å; E96-S100 PolarHBondContact O-OG 2.79Å; Q97-S100 PolarHBondContact O-N 3.15Å; Q97-S100 PolarHBondContact O-OG 3.42Å; V98-S100 PolarHBondContact O-N 3.32Å
101L71.4Confident67.8Low46 Ų4655.2 Ų55.224%0.24129%0.292CS..Hα-helixtrans-87.3-23.5179.3-66.4173.5000113.8D67 M70 Q97 V98 L99D67-L101 HydrophobicContact CB-CD1 4.24Å; D67-L101 WeakPolarHBondContact OD1-CD1 3.42Å; M70-L101 HydrophobicContact CB-CB 4.26Å; M70-L101 HydrophobicContact CB-CD1 3.49Å; M70-L101 VanDerWaalsContact CB-CD1 3.49Å; M70-L101 HydrophobicContact CG-CD1 4.11Å; M70-L101 HydrophobicContact SD-CD1 3.58Å; M70-L101 VanDerWaalsContact SD-CD1 3.58Å; Q97-L101 PolarHBondContact O-N 3.4Å; V98-L101 PolarHBondContact O-N 3.28Å; L99-L101 VanDerWaalsContact C-N 3.32Å; L99-L101 PolarHBondContact O-N 3.02Å
102K74.9Confident66Low34 Ų3461.2 Ų61.215%0.14832%0.318CS..Hα-helixtrans-99-29.1-175.2-75.7-59.6-141.5-1570114.7M70 R71 G73 F76 V98 L99 H145M70-K102 WeakPolarHBondContact O-CD 3.4Å; M70-K102 WeakPolarHBondContact O-CE 2.87Å; M70-K102 PolarHBondContact O-NZ 2.64Å; R71-K102 PolarHBondContact O-NZ 3Å; G73-K102 WeakPolarHBondContact O-CE 3.44Å; G73-K102 PolarHBondContact O-NZ 3.03Å; F76-K102 HydrophobicContact CE2-CG 4.45Å; V98-K102 HydrophobicContact CG1-CG 4.09Å; V98-K102 WeakPolarHBondContact O-CB 3.19Å; V98-K102 VanDerWaalsContact O-CG 3.23Å; V98-K102 WeakPolarHBondContact O-CG 3.16Å; V98-K102 PolarHBondContact O-N 2.91Å; L99-K102 PolarHBondContact O-N 3.12Å; K102-H145 HydrophobicContact CB-CB 4.47Å; K102-H145 WeakPolarHBondContact CB-CD2 3.36Å; K102-H145 WeakPolarHBondContact CB-NE2 3.46Å; K102-H145 PolarHBondContact O-NE2 3.04Å
103C64.2Low64.6Low7 Ų767.1 Ų67.15%0.04734%0.34CS..SBendtrans-62.8146173.5174.80000109.1L99 P105 Y108L99-C103 WeakPolarHBondContact O-CB 3.4Å; L99-C103 PolarHBondContact O-N 3.47Å; C103-P105 WeakPolarHBondContact O-CD 3.17Å; C103-P105 VanDerWaalsContact O-N 3.13Å; C103-Y108 HydrophobicContact CB-CD2 3.42Å; C103-Y108 VanDerWaalsContact CB-CD2 3.42Å; C103-Y108 HydrophobicContact CB-CE2 3.49Å; C103-Y108 VanDerWaalsContact CB-CE2 3.49Å; C103-Y108 VanDerWaalsContact SG-CD2 3.51Å
104H53.9Low63.1Low105 Ų10571 Ų7149%0.48635%0.349SS..  trans-51.1125.8-177.1-89.959000109.4I106 R107 Y108H104-I106 PolarHBondContact O-N 3.42Å; H104-R107 HydrophobicContact CB-CB 4.4Å; H104-R107 HydrophobicContact CB-CG 4.39Å; H104-R107 WeakPolarHBondContact O-CA 3.29Å; H104-R107 PolarHBondContact O-N 3.46Å; H104-Y108 PolarHBondContact O-N 2.9Å; H104-Y108 VanDerWaalsContact O-N 3.13Å
105P48.7Very low61.7Low108 Ų10870.8 Ų70.870%0.70135%0.35SS*.Hα-helixtrans-55.1-30.2-179.77.1-17.4000111C103 A109C103-P105 WeakPolarHBondContact O-CD 3.17Å; C103-P105 VanDerWaalsContact O-N 3.13Å; P105-A109 WeakPolarHBondContact O-CA 3.44Å; P105-A109 WeakPolarHBondContact O-CB 3.36Å; P105-A109 PolarHBondContact O-N 2.72Å
106I48.6Very low60.1Low124 Ų12475.7 Ų75.764%0.63637%0.372SS*.Hα-helixtrans-65-37.9174.4-60.1167.9000112.3H104 T110H104-I106 PolarHBondContact O-N 3.42Å; I106-T110 VanDerWaalsContact O-CB 3.26Å; I106-T110 WeakPolarHBondContact O-CB 3.38Å; I106-T110 PolarHBondContact O-N 3.46Å; I106-T110 PolarHBondContact O-OG1 3.26Å
107R49.7Very low58.7Low102 Ų10278.6 Ų78.639%0.38538%0.378SS..Hα-helixtrans-75.4-44.5178.9-76.8-169.5174.6-161.4-4.7111.7H104 A109 T110 Y111 D143H104-R107 HydrophobicContact CB-CB 4.4Å; H104-R107 HydrophobicContact CB-CG 4.39Å; H104-R107 WeakPolarHBondContact O-CA 3.29Å; H104-R107 PolarHBondContact O-N 3.46Å; R107-A109 VanDerWaalsContact C-N 3.31Å; R107-T110 PolarHBondContact O-N 2.72Å; R107-Y111 VanDerWaalsContact O-CB 3.22Å; R107-Y111 WeakPolarHBondContact O-CB 3.32Å; R107-Y111 PolarHBondContact O-N 2.8Å; R107-D143 IonicContact CZ-OD1 3.68Å; R107-D143 IonicContact NH1-OD1 2.86Å; R107-D143 PolarHBondContact NH1-OD1 3.41Å; R107-D143 IonicContact NH1-OD2 2.75Å; R107-D143 PolarHBondContact NH1-OD2 3.24Å
108Y49.5Very low57.6Low51 Ų5177.8 Ų77.820%0.238%0.376CS..Hα-helixtrans-63.6-38.5171.5-104.8-82.9000111.3L99 C103 H104 Y111 F112L99-Y108 WeakPolarHBondContact O-CE2 3.32Å; C103-Y108 HydrophobicContact CB-CD2 3.42Å; C103-Y108 VanDerWaalsContact CB-CD2 3.42Å; C103-Y108 HydrophobicContact CB-CE2 3.49Å; C103-Y108 VanDerWaalsContact CB-CE2 3.49Å; C103-Y108 VanDerWaalsContact SG-CD2 3.51Å; H104-Y108 PolarHBondContact O-N 2.9Å; H104-Y108 VanDerWaalsContact O-N 3.13Å; Y108-Y111 HydrophobicContact CD1-CD1 4.3Å; Y108-Y111 CarbonylContact O-C 3.3Å; Y108-Y111 VanDerWaalsContact O-CB 3.31Å; Y108-Y111 WeakPolarHBondContact O-CB 3.22Å; Y108-Y111 PolarHBondContact O-N 2.96Å; Y108-F112 AromaticContact CD1-CD2 3.9Å; Y108-F112 HydrophobicContact CD1-CD2 3.9Å; Y108-F112 AromaticContact CD1-CE2 3.58Å; Y108-F112 HydrophobicContact CD1-CE2 3.58Å; Y108-F112 HydrophobicContact CE1-CE2 4.25Å; Y108-F112 WeakPolarHBondContact O-CB 3.44Å; Y108-F112 VanDerWaalsContact O-CD2 3.23Å; Y108-F112 WeakPolarHBondContact O-CD2 3.19Å; Y108-F112 PolarHBondContact O-N 3.23Å
109A50.7Low56.2Low52 Ų5284.8 Ų84.843%0.4341%0.406SS..Hα-helixtrans-65.2-42.2172.700000111.1P105 R107 Y111 F112 F113P105-A109 WeakPolarHBondContact O-CA 3.44Å; P105-A109 WeakPolarHBondContact O-CB 3.36Å; P105-A109 PolarHBondContact O-N 2.72Å; R107-A109 VanDerWaalsContact C-N 3.31Å; A109-Y111 PolarHBondContact O-N 3.4Å; A109-F112 PolarHBondContact O-N 3.43Å; A109-F113 WeakPolarHBondContact O-CA 3.23Å; A109-F113 WeakPolarHBondContact O-CB 3.4Å; A109-F113 PolarHBondContact O-N 3.18Å
110T50.3Low55.2Low89 Ų8990.9 Ų90.955%0.54644%0.439SS..Hα-helixtrans-61.2-39.3174.3-55.70000110.3I106 R107 K114I106-T110 VanDerWaalsContact O-CB 3.26Å; I106-T110 WeakPolarHBondContact O-CB 3.38Å; I106-T110 PolarHBondContact O-N 3.46Å; I106-T110 PolarHBondContact O-OG1 3.26Å; R107-T110 PolarHBondContact O-N 2.72Å; T110-K114 VanDerWaalsContact O-CB 3.25Å; T110-K114 WeakPolarHBondContact O-CB 3.47Å; T110-K114 PolarHBondContact O-N 3.37Å
111Y50.1Low54.2Low70 Ų7090.2 Ų90.228%0.27543%0.434SS..Hα-helixtrans-64.3-54.8175177-87.7000111.9R107 Y108 A109 F113 K114 I115 L134 I137R107-Y111 VanDerWaalsContact O-CB 3.22Å; R107-Y111 WeakPolarHBondContact O-CB 3.32Å; R107-Y111 PolarHBondContact O-N 2.8Å; Y108-Y111 HydrophobicContact CD1-CD1 4.3Å; Y108-Y111 CarbonylContact O-C 3.3Å; Y108-Y111 VanDerWaalsContact O-CB 3.31Å; Y108-Y111 WeakPolarHBondContact O-CB 3.22Å; Y108-Y111 PolarHBondContact O-N 2.96Å; A109-Y111 PolarHBondContact O-N 3.4Å; Y111-F113 PolarHBondContact O-N 3.35Å; Y111-K114 WeakPolarHBondContact O-CB 3.35Å; Y111-K114 PolarHBondContact O-N 2.67Å; Y111-I115 HydrophobicContact CD1-CD1 3.51Å; Y111-I115 HydrophobicContact CE1-CD1 3.24Å; Y111-I115 HydrophobicContact CE1-CG1 4.48Å; Y111-I115 HydrophobicContact CG-CD1 4.37Å; Y111-I115 WeakPolarHBondContact O-CG1 3.31Å; Y111-I115 PolarHBondContact O-N 2.71Å; Y111-L134 HydrophobicContact CD2-CD2 4.14Å; Y111-L134 HydrophobicContact CE1-CD2 4.41Å; Y111-L134 HydrophobicContact CE2-CD2 3.24Å; Y111-L134 HydrophobicContact CE2-CG 4.36Å; Y111-L134 WeakPolarHBondContact OH-CD1 3.35Å; Y111-L134 WeakPolarHBondContact OH-CD2 3.41Å; Y111-L134 WeakPolarHBondContact OH-CG 3.47Å; Y111-I137 HydrophobicContact CD2-CD1 3.96Å; Y111-I137 HydrophobicContact CE2-CD1 3.83Å
112F49.9Very low53.5Low128 Ų12897.4 Ų97.456%0.56147%0.466SS*.Hα-helixtrans-61.5-39.4176.8-88.4-71.1000112.3Y108 A109 K114 I115 K116Y108-F112 AromaticContact CD1-CD2 3.9Å; Y108-F112 HydrophobicContact CD1-CD2 3.9Å; Y108-F112 AromaticContact CD1-CE2 3.58Å; Y108-F112 HydrophobicContact CD1-CE2 3.58Å; Y108-F112 HydrophobicContact CE1-CE2 4.25Å; Y108-F112 WeakPolarHBondContact O-CB 3.44Å; Y108-F112 VanDerWaalsContact O-CD2 3.23Å; Y108-F112 WeakPolarHBondContact O-CD2 3.19Å; Y108-F112 PolarHBondContact O-N 3.23Å; A109-F112 PolarHBondContact O-N 3.43Å; F112-K114 VanDerWaalsContact C-N 3.34Å; F112-I115 WeakPolarHBondContact O-CB 3.2Å; F112-I115 PolarHBondContact O-N 2.77Å; F112-K116 PolarHBondContact O-N 2.79Å
113F56.2Low52.4Low139 Ų139101.2 Ų101.261%0.6149%0.485SS*.Hα-helixtrans-69-34.7177.2-158-86.3000111.2A109 Y111 R117A109-F113 WeakPolarHBondContact O-CA 3.23Å; A109-F113 WeakPolarHBondContact O-CB 3.4Å; A109-F113 PolarHBondContact O-N 3.18Å; Y111-F113 PolarHBondContact O-N 3.35Å; F113-R117 PolarHBondContact O-N 3.13Å
114K52.1Low51.9Low141 Ų141105.5 Ų105.561%0.61351%0.51SS*.Hα-helixtrans-67-37.2170.8-156.2173.2-173.8-175.50111.2T110 Y111 F112 V118T110-K114 VanDerWaalsContact O-CB 3.25Å; T110-K114 WeakPolarHBondContact O-CB 3.47Å; T110-K114 PolarHBondContact O-N 3.37Å; Y111-K114 WeakPolarHBondContact O-CB 3.35Å; Y111-K114 PolarHBondContact O-N 2.67Å; F112-K114 VanDerWaalsContact C-N 3.34Å; K114-V118 WeakPolarHBondContact O-CG2 3.47Å
115I51.7Low51.7Low29 Ų29104.8 Ų104.815%0.14952%0.515CS..Hα-helixtrans-67.2-44.6174.2-65.1163.5000111.9Y111 F112 R117 V118 K119 L130 L134Y111-I115 HydrophobicContact CD1-CD1 3.51Å; Y111-I115 HydrophobicContact CE1-CD1 3.24Å; Y111-I115 HydrophobicContact CE1-CG1 4.48Å; Y111-I115 HydrophobicContact CG-CD1 4.37Å; Y111-I115 WeakPolarHBondContact O-CG1 3.31Å; Y111-I115 PolarHBondContact O-N 2.71Å; F112-I115 WeakPolarHBondContact O-CB 3.2Å; F112-I115 PolarHBondContact O-N 2.77Å; I115-R117 VanDerWaalsContact C-N 3.28Å; I115-R117 PolarHBondContact O-N 3.49Å; I115-V118 WeakPolarHBondContact O-CA 3.5Å; I115-V118 PolarHBondContact O-N 3.21Å; I115-K119 HydrophobicContact CG2-CG 4.44Å; I115-K119 PolarHBondContact O-N 2.86Å; I115-L130 HydrophobicContact CB-CD2 4.44Å; I115-L130 HydrophobicContact CG1-CD2 3.93Å; I115-L130 HydrophobicContact CG2-CD2 4.46Å; I115-L134 HydrophobicContact CD1-CD1 4.4Å
116K50.5Low51.8Low140 Ų140103 Ų10361%0.60950%0.499SS*.Hα-helixtrans-59.5-41.7-177.1-162.1173.2-174.7177.50111.2F112 V118 K119 D120F112-K116 PolarHBondContact O-N 2.79Å; K116-V118 PolarHBondContact O-N 2.93Å; K116-K119 PolarHBondContact O-N 3.03Å; K116-D120 PolarHBondContact O-N 2.81Å
117R51.1Low52Low184 Ų18499.8 Ų99.869%0.69448%0.482SS*.Hα-helixtrans-60.5-25.3172.6-81.3-156.9-81.6170.2-10.2114.7F113 I115F113-R117 PolarHBondContact O-N 3.13Å; I115-R117 VanDerWaalsContact C-N 3.28Å; I115-R117 PolarHBondContact O-N 3.49Å
118V54.2Low52.3Low24 Ų24101.7 Ų101.715%0.14550%0.495CS..Hα-helixtrans-91.2-35.4-179178.60000111.8K114 I115 K116 D120 S121 M126 L130K114-V118 WeakPolarHBondContact O-CG2 3.47Å; I115-V118 WeakPolarHBondContact O-CA 3.5Å; I115-V118 PolarHBondContact O-N 3.21Å; K116-V118 PolarHBondContact O-N 2.93Å; V118-D120 VanDerWaalsContact C-N 3.27Å; V118-D120 PolarHBondContact O-N 3.31Å; V118-S121 PolarHBondContact O-N 3.28Å; V118-S121 VanDerWaalsContact O-N 3.09Å; V118-S121 PolarHBondContact O-OG 3.37Å; V118-M126 HydrophobicContact CG1-CB 4.16Å; V118-L130 HydrophobicContact CB-CD2 4.24Å; V118-L130 HydrophobicContact CG1-CD2 4.25Å; V118-L130 HydrophobicContact CG2-CD2 4.43Å
119K51.1Low52.5Low148 Ų148103.1 Ų103.164%0.64351%0.505SS*.Hα-helixtrans-66.8-29.3175.3-80.8-168.1175.2-172.50113.2I115 K116 S121I115-K119 HydrophobicContact CG2-CG 4.44Å; I115-K119 PolarHBondContact O-N 2.86Å; K116-K119 PolarHBondContact O-N 3.03Å; K119-S121 PolarHBondContact O-N 3.3Å
120D57.1Low52.5Low132 Ų132101.9 Ų101.971%0.70649%0.492SS*.THydrogen-bonded Turntrans-77.6-3.8174.8-62.4-22.7000112.4K116 V118K116-D120 PolarHBondContact O-N 2.81Å; V118-D120 VanDerWaalsContact C-N 3.27Å; V118-D120 PolarHBondContact O-N 3.31Å
121S53.5Low52.7Low42 Ų42102 Ų10229%0.29449%0.489SS..SBendtrans-101.3129.9168.166.20000109.8V118 K119 E123V118-S121 PolarHBondContact O-N 3.28Å; V118-S121 VanDerWaalsContact O-N 3.09Å; V118-S121 PolarHBondContact O-OG 3.37Å; K119-S121 PolarHBondContact O-N 3.3Å; S121-E123 PolarHBondContact O-N 2.86Å
122E56.3Low52.9Low196 Ų196104.8 Ų104.892%0.91650%0.503SS*.  trans-66.816.2-179.1-65-165.5162.800114.6V124E122-V124 PolarHBondContact O-N 3.24Å
123E51.6Low52.9Low114 Ų114104.1 Ų104.153%0.53350%0.501SS..  trans-84.479.5-179-65.1-172.2-168.900111.2S121 P125 M126 I127S121-E123 PolarHBondContact O-N 2.86Å; E123-P125 VanDerWaalsContact C-N 3.26Å; E123-M126 HydrophobicContact CB-CB 4.02Å; E123-M126 HydrophobicContact CB-CG 4.09Å; E123-M126 WeakPolarHBondContact O-CB 3.25Å; E123-M126 PolarHBondContact O-N 3.12Å; E123-M126 WeakPolarHBondContact OE2-CG 3.3Å; E123-I127 PolarHBondContact O-N 2.89Å
124V52.9Low52.6Low97 Ų9798.9 Ų98.959%0.58848%0.479SS*.Hα-helixtrans-51.7-33.6172-174.60000113.9E122 M126 I127E122-V124 PolarHBondContact O-N 3.24Å; V124-M126 VanDerWaalsContact C-N 3.28Å; V124-M126 PolarHBondContact O-N 3.01Å; V124-I127 PolarHBondContact O-N 3.3Å
125P49.4Very low52.6Low90 Ų90101.1 Ų101.158%0.58449%0.489SS*.Hα-helixtrans-62.5-35.4173.3-21.232.9000112.6E123 I127 Q128 I129E123-P125 VanDerWaalsContact C-N 3.26Å; P125-I127 PolarHBondContact O-N 3.09Å; P125-Q128 PolarHBondContact O-N 3.01Å; P125-I129 WeakPolarHBondContact O-CG1 3.39Å; P125-I129 PolarHBondContact O-N 3.08Å
126M52.7Low52.3Low72 Ų72106.2 Ų106.236%0.35551%0.512SS..Hα-helixtrans-71.1-28.3179.3-78.4-65.4-72.600112.3V118 E123 V124 Q128 I129 L130V118-M126 HydrophobicContact CG1-CB 4.16Å; E123-M126 HydrophobicContact CB-CB 4.02Å; E123-M126 HydrophobicContact CB-CG 4.09Å; E123-M126 WeakPolarHBondContact O-CB 3.25Å; E123-M126 PolarHBondContact O-N 3.12Å; E123-M126 WeakPolarHBondContact OE2-CG 3.3Å; V124-M126 VanDerWaalsContact C-N 3.28Å; V124-M126 PolarHBondContact O-N 3.01Å; M126-Q128 VanDerWaalsContact C-N 3.34Å; M126-I129 PolarHBondContact O-N 3.29Å; M126-I129 HydrophobicContact SD-CB 4.45Å; M126-I129 HydrophobicContact SD-CD1 4.11Å; M126-L130 WeakPolarHBondContact O-CA 3.37Å; M126-L130 WeakPolarHBondContact O-CB 3.47Å; M126-L130 PolarHBondContact O-N 3.17Å
127I51.8Low52.1Low56 Ų56103.9 Ų103.929%0.28751%0.505SS..Hα-helixtrans-65.5-39.9173.4-64.9174.9000110.8E123 V124 P125 L130 N131E123-I127 PolarHBondContact O-N 2.89Å; V124-I127 PolarHBondContact O-N 3.3Å; P125-I127 PolarHBondContact O-N 3.09Å; I127-L130 PolarHBondContact O-N 3.44Å; I127-N131 WeakPolarHBondContact O-CB 3.24Å; I127-N131 VanDerWaalsContact O-CG 3.24Å; I127-N131 PolarHBondContact O-N 3.08Å; I127-N131 PolarHBondContact O-ND2 3.46Å
128Q55.4Low51.8Low141 Ų14198.9 Ų98.966%0.65950%0.499SS*.Hα-helixtrans-69.6-45.4176.1-69.7-172.417.400111.6P125 M126 L130 N131 F132P125-Q128 PolarHBondContact O-N 3.01Å; M126-Q128 VanDerWaalsContact C-N 3.34Å; Q128-L130 PolarHBondContact O-N 2.96Å; Q128-N131 PolarHBondContact O-N 3.46Å; Q128-F132 VanDerWaalsContact O-CB 3.24Å; Q128-F132 WeakPolarHBondContact O-CB 3.48Å; Q128-F132 PolarHBondContact O-N 3.16Å
129I54.6Low51.6Low81 Ų81100.2 Ų100.242%0.41551%0.505SS..Hα-helixtrans-60.4-39.6174.3-66.6166.6000109.8P125 M126 F132 Q133P125-I129 WeakPolarHBondContact O-CG1 3.39Å; P125-I129 PolarHBondContact O-N 3.08Å; M126-I129 PolarHBondContact O-N 3.29Å; M126-I129 HydrophobicContact SD-CB 4.45Å; M126-I129 HydrophobicContact SD-CD1 4.11Å; I129-F132 PolarHBondContact O-N 2.82Å; I129-Q133 HydrophobicContact CG2-CG 4.13Å; I129-Q133 WeakPolarHBondContact O-CA 3.33Å; I129-Q133 WeakPolarHBondContact O-CB 3.49Å; I129-Q133 VanDerWaalsContact O-CG 3.22Å; I129-Q133 WeakPolarHBondContact O-CG 3.34Å; I129-Q133 PolarHBondContact O-N 2.97Å
130L50.6Low51.5Low27 Ų2798.4 Ų98.414%0.14150%0.499CS..Hα-helixtrans-63.6-58.9175.4-168.270.2000108.4I115 V118 M126 I127 Q128 F132 Q133 L134I115-L130 HydrophobicContact CB-CD2 4.44Å; I115-L130 HydrophobicContact CG1-CD2 3.93Å; I115-L130 HydrophobicContact CG2-CD2 4.46Å; V118-L130 HydrophobicContact CB-CD2 4.24Å; V118-L130 HydrophobicContact CG1-CD2 4.25Å; V118-L130 HydrophobicContact CG2-CD2 4.43Å; M126-L130 WeakPolarHBondContact O-CA 3.37Å; M126-L130 WeakPolarHBondContact O-CB 3.47Å; M126-L130 PolarHBondContact O-N 3.17Å; I127-L130 PolarHBondContact O-N 3.44Å; Q128-L130 PolarHBondContact O-N 2.96Å; L130-F132 PolarHBondContact O-N 3.45Å; L130-F132 VanDerWaalsContact O-N 3.08Å; L130-Q133 CarbonylContact O-C 3.53Å; L130-Q133 VanDerWaalsContact O-C 3.3Å; L130-Q133 VanDerWaalsContact O-CA 3.31Å; L130-Q133 WeakPolarHBondContact O-CA 3.22Å; L130-Q133 PolarHBondContact O-N 2.69Å; L130-L134 HydrophobicContact CD1-CD2 4.3Å; L130-L134 HydrophobicContact CG-CD1 4.19Å; L130-L134 HydrophobicContact CG-CD2 4.18Å; L130-L134 HydrophobicContact CG-CG 4.03Å; L130-L134 WeakPolarHBondContact O-CB 3.43Å; L130-L134 WeakPolarHBondContact O-CG 3.46Å; L130-L134 PolarHBondContact O-N 3.06Å
131N53.5Low51Low90 Ų9096 Ų9648%0.48149%0.491SS..Hα-helixtrans-51.5-37.3177.4-73.6-21.1000113.3I127 Q128 L134 K135I127-N131 WeakPolarHBondContact O-CB 3.24Å; I127-N131 VanDerWaalsContact O-CG 3.24Å; I127-N131 PolarHBondContact O-N 3.08Å; I127-N131 PolarHBondContact O-ND2 3.46Å; Q128-N131 PolarHBondContact O-N 3.46Å; N131-L134 PolarHBondContact O-N 3.23Å; N131-K135 PolarHBondContact O-N 3.16Å
132F55.6Low50.7Low130 Ų13096.7 Ų96.757%0.5749%0.493SS*.Hα-helixtrans-68.7-46.6172.6-176.7-96.2000111.9Q128 I129 L130 L134 K135 Q136Q128-F132 VanDerWaalsContact O-CB 3.24Å; Q128-F132 WeakPolarHBondContact O-CB 3.48Å; Q128-F132 PolarHBondContact O-N 3.16Å; I129-F132 PolarHBondContact O-N 2.82Å; L130-F132 PolarHBondContact O-N 3.45Å; L130-F132 VanDerWaalsContact O-N 3.08Å; F132-L134 PolarHBondContact O-N 3.36Å; F132-K135 WeakPolarHBondContact O-CB 3.38Å; F132-K135 PolarHBondContact O-N 2.99Å; F132-Q136 HydrophobicContact CD1-CG 4.42Å; F132-Q136 HydrophobicContact CE1-CG 4.23Å; F132-Q136 VanDerWaalsContact O-CG 3.23Å; F132-Q136 WeakPolarHBondContact O-CG 3.08Å; F132-Q136 PolarHBondContact O-N 3.24Å
133Q49.4Very low50.8Low114 Ų11488.3 Ų88.353%0.53345%0.454SS..Hα-helixtrans-66.7-24.7173.5-73.8-155.9-23.700112.4I129 L130 Q136 I137I129-Q133 HydrophobicContact CG2-CG 4.13Å; I129-Q133 WeakPolarHBondContact O-CA 3.33Å; I129-Q133 WeakPolarHBondContact O-CB 3.49Å; I129-Q133 VanDerWaalsContact O-CG 3.22Å; I129-Q133 WeakPolarHBondContact O-CG 3.34Å; I129-Q133 PolarHBondContact O-N 2.97Å; L130-Q133 CarbonylContact O-C 3.53Å; L130-Q133 VanDerWaalsContact O-C 3.3Å; L130-Q133 VanDerWaalsContact O-CA 3.31Å; L130-Q133 WeakPolarHBondContact O-CA 3.22Å; L130-Q133 PolarHBondContact O-N 2.69Å; Q133-Q136 CarbonylContact O-C 3.53Å; Q133-Q136 VanDerWaalsContact O-C 3.22Å; Q133-Q136 WeakPolarHBondContact O-CA 3.24Å; Q133-Q136 WeakPolarHBondContact O-CB 3.29Å; Q133-Q136 PolarHBondContact O-N 3.07Å; Q133-Q136 VanDerWaalsContact O-N 3.16Å; Q133-I137 WeakPolarHBondContact O-CG1 3.49Å; Q133-I137 PolarHBondContact O-N 2.72Å
134L51Low51.6Low29 Ų2985.2 Ų85.215%0.15245%0.448CS..Hα-helixtrans-72.7-43.7174.3-67.3-177.8000109.2Y111 I115 L130 N131 F132 Q136 I137Y111-L134 HydrophobicContact CD2-CD2 4.14Å; Y111-L134 HydrophobicContact CE1-CD2 4.41Å; Y111-L134 HydrophobicContact CE2-CD2 3.24Å; Y111-L134 HydrophobicContact CE2-CG 4.36Å; Y111-L134 WeakPolarHBondContact OH-CD1 3.35Å; Y111-L134 WeakPolarHBondContact OH-CD2 3.41Å; Y111-L134 WeakPolarHBondContact OH-CG 3.47Å; I115-L134 HydrophobicContact CD1-CD1 4.4Å; L130-L134 HydrophobicContact CD1-CD2 4.3Å; L130-L134 HydrophobicContact CG-CD1 4.19Å; L130-L134 HydrophobicContact CG-CD2 4.18Å; L130-L134 HydrophobicContact CG-CG 4.03Å; L130-L134 WeakPolarHBondContact O-CB 3.43Å; L130-L134 WeakPolarHBondContact O-CG 3.46Å; L130-L134 PolarHBondContact O-N 3.06Å; N131-L134 PolarHBondContact O-N 3.23Å; F132-L134 PolarHBondContact O-N 3.36Å; L134-Q136 PolarHBondContact O-N 2.99Å; L134-I137 HydrophobicContact CD2-CD1 3.82Å; L134-I137 PolarHBondContact O-N 2.6Å; L134-I137 VanDerWaalsContact O-N 3.09Å
135K50.3Low53Low188 Ų18881.8 Ų81.882%0.81743%0.426SS*.Hα-helixtrans-56.8-29.4166.1-85.3-175.4175.2-178.30111.8N131 F132N131-K135 PolarHBondContact O-N 3.16Å; F132-K135 WeakPolarHBondContact O-CB 3.38Å; F132-K135 PolarHBondContact O-N 2.99Å
136Q46.4Very low55Low135 Ų13577.7 Ų77.763%0.63140%0.399SS*.Hα-helixtrans-91.4-10.9177.3-61.1-86.9-32.900114.2F132 Q133 L134 S138F132-Q136 HydrophobicContact CD1-CG 4.42Å; F132-Q136 HydrophobicContact CE1-CG 4.23Å; F132-Q136 VanDerWaalsContact O-CG 3.23Å; F132-Q136 WeakPolarHBondContact O-CG 3.08Å; F132-Q136 PolarHBondContact O-N 3.24Å; Q133-Q136 CarbonylContact O-C 3.53Å; Q133-Q136 VanDerWaalsContact O-C 3.22Å; Q133-Q136 WeakPolarHBondContact O-CA 3.24Å; Q133-Q136 WeakPolarHBondContact O-CB 3.29Å; Q133-Q136 PolarHBondContact O-N 3.07Å; Q133-Q136 VanDerWaalsContact O-N 3.16Å; L134-Q136 PolarHBondContact O-N 2.99Å; Q136-S138 PolarHBondContact O-N 3.09Å
137I46.2Very low56.8Low91 Ų9174.5 Ų74.547%0.46738%0.384SS..SBendtrans-71.375.7161.9-68.4169000103.6Y111 Q133 L134 L139Y111-I137 HydrophobicContact CD2-CD1 3.96Å; Y111-I137 HydrophobicContact CE2-CD1 3.83Å; Q133-I137 WeakPolarHBondContact O-CG1 3.49Å; Q133-I137 PolarHBondContact O-N 2.72Å; L134-I137 HydrophobicContact CD2-CD1 3.82Å; L134-I137 PolarHBondContact O-N 2.6Å; L134-I137 VanDerWaalsContact O-N 3.09Å; I137-L139 PolarHBondContact O-N 3.46Å
138S45Very low58.9Low80 Ų8071.9 Ų71.956%0.55937%0.37SS*.  trans-48.9104.7157.9-178.10000103.7Q136 Q140Q136-S138 PolarHBondContact O-N 3.09Å; S138-Q140 PolarHBondContact O-N 3.04Å
139L49.5Very low60.7Low51 Ų5165.2 Ų65.227%0.26734%0.339SS..  trans-42.8114.7164-78.1150000104.6L99 I137 D143L99-L139 HydrophobicContact CD1-CD1 3.62Å; I137-L139 PolarHBondContact O-N 3.46Å; L139-D143 HydrophobicContact CD2-CB 4.32Å
140Q49.9Very low62.7Low111 Ų11161.4 Ų61.452%0.51932%0.32SS..  trans-56.5145.3-174.1-71.2-75-40.900106.4S138 T142 D143S138-Q140 PolarHBondContact O-N 3.04Å; Q140-T142 PolarHBondContact O-N 2.87Å; Q140-D143 WeakPolarHBondContact O-CA 3.45Å; Q140-D143 WeakPolarHBondContact O-CB 3.49Å; Q140-D143 PolarHBondContact O-N 3.16Å
141P45.9Very low64.9Low82 Ų8260.1 Ų60.153%0.53231%0.313SS..THydrogen-bonded Turntrans-54.1-14.7179.2-27.833.9000114.4
142T46.7Very low67Low55 Ų5556 Ų5634%0.33729%0.29SS..THydrogen-bonded Turntrans-75.9-25.7172.161.20000114Q140 A144 D209Q140-T142 PolarHBondContact O-N 2.87Å; T142-A144 VanDerWaalsContact C-N 3.35Å; T142-D209 WeakPolarHBondContact CG2-OD2 3.48Å
143D58.8Low68.9Low20 Ų2052.5 Ų52.511%0.10728%0.275CS..THydrogen-bonded Turntrans-90.2-5.6178.9-57.9-28.2000111.3R107 L139 Q140 H145R107-D143 IonicContact CZ-OD1 3.68Å; R107-D143 IonicContact NH1-OD1 2.86Å; R107-D143 PolarHBondContact NH1-OD1 3.41Å; R107-D143 IonicContact NH1-OD2 2.75Å; R107-D143 PolarHBondContact NH1-OD2 3.24Å; L139-D143 HydrophobicContact CD2-CB 4.32Å; Q140-D143 WeakPolarHBondContact O-CA 3.45Å; Q140-D143 WeakPolarHBondContact O-CB 3.49Å; Q140-D143 PolarHBondContact O-N 3.16Å; D143-H145 PolarHBondContact O-CD2 3.43Å; D143-H145 PolarHBondContact O-N 2.84Å; D143-H145 VanDerWaalsContact O-N 3.15Å
144A69.2Low71.2Confident49 Ų4948 Ų4841%0.40526%0.256SS..  trans-72104174.100000110T142 Y202T142-A144 VanDerWaalsContact C-N 3.35Å; A144-Y202 WeakPolarHBondContact O-CD2 3.25Å; A144-Y202 WeakPolarHBondContact O-CE2 3.13Å
145H82.3Confident73.4Confident25 Ų2549.4 Ų49.412%0.11626%0.264CS..  trans-74.7153.6169.3-78.5-94.6000110.6K102 D143 L147 Y202K102-H145 HydrophobicContact CB-CB 4.47Å; K102-H145 WeakPolarHBondContact CB-CD2 3.36Å; K102-H145 WeakPolarHBondContact CB-NE2 3.46Å; K102-H145 PolarHBondContact O-NE2 3.04Å; D143-H145 PolarHBondContact O-CD2 3.43Å; D143-H145 PolarHBondContact O-N 2.84Å; D143-H145 VanDerWaalsContact O-N 3.15Å; H145-L147 PolarHBondContact O-N 2.93Å; H145-L147 VanDerWaalsContact O-N 3.12Å; H145-Y202 AromaticContact CE1-CZ 3.65Å; H145-Y202 PolarHBondContact CE1-OH 2.68Å; H145-Y202 AromaticContact ND1-CZ 3.8Å; H145-Y202 PolarHBondContact NE2-OH 3.15Å
146P90.7Very high75.5Confident4 Ų443 Ų433%0.02624%0.238CC..  trans-61.9115.7-178.8-23.135.3000111.5E74 G75 F76 L195 E198 I199 Y202E74-P146 WeakPolarHBondContact O-CG 3.43Å; G75-P146 CarbonylContact C-O 3.22Å; G75-P146 WeakPolarHBondContact CA-O 3.37Å; F76-P146 PolarHBondContact N-O 2.93Å; P146-L195 HydrophobicContact CB-CD1 3.99Å; P146-E198 HydrophobicContact CB-CB 4.25Å; P146-I199 HydrophobicContact CB-CB 4.27Å; P146-I199 HydrophobicContact CB-CG1 3.47Å; P146-I199 VanDerWaalsContact CB-CG1 3.47Å; P146-I199 HydrophobicContact CG-CB 4.12Å; P146-I199 HydrophobicContact CG-CG1 3.75Å; P146-I199 HydrophobicContact CG-CG2 4.43Å; P146-Y202 HydrophobicContact CG-CD1 4.07Å; P146-Y202 HydrophobicContact CG-CG 3.86Å
147L91.2Very high77.8Confident6 Ų641.7 Ų41.73%0.03124%0.242CC..EExtended strand (participates in β ladder)trans-129.1153.2178-67173.8000108.3F76 L78 R95 V98 H145 I175 P176F76-L147 HydrophobicContact CB-CD2 3.65Å; F76-L147 HydrophobicContact CD2-CD2 4.03Å; F76-L147 HydrophobicContact CG-CD2 4.18Å; F76-L147 WeakPolarHBondContact O-CA 3.43Å; L78-L147 HydrophobicContact CD1-CD2 4.44Å; L78-L147 HydrophobicContact CG-CD2 4.44Å; R95-L147 HydrophobicContact CG-CD1 3.95Å; V98-L147 HydrophobicContact CB-CD2 4.37Å; V98-L147 HydrophobicContact CG1-CD2 3.98Å; V98-L147 HydrophobicContact CG2-CD2 4.42Å; H145-L147 PolarHBondContact O-N 2.93Å; H145-L147 VanDerWaalsContact O-N 3.12Å; L147-I175 HydrophobicContact CB-CD1 3.72Å; L147-I175 HydrophobicContact CB-CG1 4.02Å; L147-I175 HydrophobicContact CB-CG2 3.74Å; L147-I175 HydrophobicContact CD1-CD1 3.48Å; L147-I175 VanDerWaalsContact CD1-CD1 3.48Å; L147-I175 HydrophobicContact CD1-CG1 4.39Å; L147-I175 HydrophobicContact CG-CD1 4.23Å; L147-I175 WeakPolarHBondContact O-CG2 3.35Å; L147-P176 WeakPolarHBondContact O-CD 3.15Å
148L94.1Very high80Confident0 Ų043.5 Ų43.50%025%0.248CC..EExtended strand (participates in β ladder)trans-142131.1167.3170.871.8000108.2F76 L77 L78 V150 P176 I178 A191 T194 L195F76-L148 PolarHBondContact O-N 3.41Å; L77-L148 HydrophobicContact CD2-CB 4.04Å; L77-L148 HydrophobicContact CD2-CD2 3.68Å; L77-L148 HydrophobicContact CD2-CG 4.17Å; L78-L148 PolarHBondContact N-O 3.22Å; L148-V150 HydrophobicContact CD2-CG2 3.93Å; L148-V150 HydrophobicContact CG-CG2 3.98Å; L148-P176 HydrophobicContact CB-CG 4.4Å; L148-P176 HydrophobicContact CD1-CB 3.6Å; L148-P176 HydrophobicContact CD1-CG 3.58Å; L148-P176 WeakPolarHBondContact CD1-O 3.37Å; L148-I178 HydrophobicContact CD1-CD1 4.2Å; L148-I178 HydrophobicContact CD1-CG1 4.21Å; L148-I178 HydrophobicContact CD2-CD1 4.3Å; L148-A191 HydrophobicContact CD2-CB 3.86Å; L148-A191 WeakPolarHBondContact CD2-O 3.46Å; L148-T194 HydrophobicContact CD1-CG2 4.24Å; L148-L195 HydrophobicContact CB-CB 4.26Å; L148-L195 HydrophobicContact CB-CD1 4.25Å; L148-L195 HydrophobicContact CB-CD2 4.38Å; L148-L195 HydrophobicContact CD2-CB 4.3Å
149V94.9Very high82.4Confident2 Ų245.1 Ų45.11%0.01224%0.242CC..EExtended strand (participates in β ladder)trans-85.2133.3170.6-177.60000108.6L78 F80 I91 V166 A170 I175 P176 F177 I178L78-V149 WeakPolarHBondContact O-CA 3.3Å; F80-V149 HydrophobicContact CD1-CG1 4.04Å; F80-V149 HydrophobicContact CE1-CG1 3.79Å; I91-V149 HydrophobicContact CG2-CG2 4.18Å; V149-V166 HydrophobicContact CG1-CG1 4.32Å; V149-A170 HydrophobicContact CG2-CB 4.29Å; V149-I175 HydrophobicContact CG2-CG2 4.02Å; V149-P176 PolarHBondContact N-O 3.48Å; V149-F177 HydrophobicContact CB-CB 4.45Å; V149-F177 HydrophobicContact CB-CD2 4.07Å; V149-F177 HydrophobicContact CG1-CD2 3.84Å; V149-F177 HydrophobicContact CG1-CE2 4.42Å; V149-F177 WeakPolarHBondContact O-CA 3.4Å; V149-F177 WeakPolarHBondContact O-CD2 3.41Å; V149-I178 PolarHBondContact O-N 3.26Å
150V96.4Very high84.6Confident1 Ų145.3 Ų45.31%0.00625%0.251CS..EExtended strand (participates in β ladder)trans-125.7120.8-179.4176.50000110.3L17 L77 L78 V79 F80 L148 I178 T180 A191L17-V150 HydrophobicContact CD1-CG1 4.05Å; L77-V150 HydrophobicContact CD2-CG2 3.83Å; L78-V150 PolarHBondContact O-N 2.96Å; V79-V150 WeakPolarHBondContact CA-O 3.28Å; V79-V150 HydrophobicContact CG1-CG1 4.38Å; V79-V150 HydrophobicContact CG2-CB 4.14Å; V79-V150 HydrophobicContact CG2-CG1 4.49Å; F80-V150 VanDerWaalsContact CD1-O 3.26Å; F80-V150 WeakPolarHBondContact CD1-O 3.45Å; F80-V150 PolarHBondContact N-O 3.09Å; L148-V150 HydrophobicContact CD2-CG2 3.93Å; L148-V150 HydrophobicContact CG-CG2 3.98Å; V150-I178 VanDerWaalsContact CA-O 3.32Å; V150-I178 WeakPolarHBondContact CA-O 3.42Å; V150-T180 HydrophobicContact CG1-CG2 3.69Å; V150-T180 WeakPolarHBondContact CG1-OG1 3.11Å; V150-A191 HydrophobicContact CG2-CB 4.15Å
151G97.1Very high86.7Confident0 Ų040.6 Ų40.60%023%0.23CC..EExtended strand (participates in β ladder)trans-97.194.817300000110.2F80 I178 E179 T180F80-G151 VanDerWaalsContact CE1-CA 3.46Å; G151-I178 PolarHBondContact N-O 2.89Å; G151-E179 CarbonylContact O-C 3.31Å; G151-E179 WeakPolarHBondContact O-CA 3.05Å; G151-T180 PolarHBondContact O-N 3.26Å
152N96.1Very high89Confident2 Ų240 Ų401%0.01122%0.222CC..EExtended strand (participates in β ladder)trans-85.2166.1-176.1-169.230.4000112.6V12 L17 V79 F80 A81 V82 T180 A182V12-N152 PolarHBondContact O-ND2 3.37Å; L17-N152 HydrophobicContact CD1-CB 4.23Å; V79-N152 HydrophobicContact CG1-CB 3.93Å; F80-N152 PolarHBondContact O-N 3.49Å; A81-N152 WeakPolarHBondContact CA-O 3.15Å; V82-N152 WeakPolarHBondContact CG1-O 3.36Å; V82-N152 PolarHBondContact N-O 3.36Å; N152-T180 CarbonylContact C-O 3.56Å; N152-T180 VanDerWaalsContact C-O 3.31Å; N152-T180 VanDerWaalsContact CA-O 3.25Å; N152-T180 WeakPolarHBondContact CA-O 3.34Å; N152-T180 WeakPolarHBondContact CA-OG1 3.47Å; N152-T180 PolarHBondContact OD1-O 2.67Å; N152-T180 PolarHBondContact OD1-OG1 3.39Å; N152-A182 PolarHBondContact OD1-N 3.03Å; N152-A182 VanDerWaalsContact OD1-N 3.13Å
153K96.1Very high91.3Very high58 Ų5838.9 Ų38.925%0.25221%0.213SC..  trans67.431.5-178.3-44.5-174-170.1173.70113.1G11 A81 V82 D155 L156 T180G11-K153 VanDerWaalsContact O-CE 3.32Å; G11-K153 WeakPolarHBondContact O-CE 3.37Å; G11-K153 PolarHBondContact O-NZ 3.31Å; A81-K153 HydrophobicContact CB-CD 3.9Å; A81-K153 HydrophobicContact CB-CG 4.25Å; V82-K153 HydrophobicContact CG2-CB 4.37Å; V82-K153 WeakPolarHBondContact CG2-O 3Å; K153-D155 PolarHBondContact O-N 3.45Å; K153-D155 VanDerWaalsContact O-N 3.09Å; K153-L156 HydrophobicContact CB-CD1 3.78Å; K153-L156 HydrophobicContact CB-CG 4.09Å; K153-L156 HydrophobicContact CD-CD1 3.99Å; K153-L156 HydrophobicContact CG-CD1 4.49Å; K153-L156 WeakPolarHBondContact O-CB 3.43Å; K153-L156 PolarHBondContact O-N 3.4Å; K153-T180 PolarHBondContact N-O 2.88Å
154C97.2Very high93.1Very high20 Ų2046.2 Ų46.214%0.13524%0.239CC..THydrogen-bonded Turntrans-64-13-179.572.60000114.1L156 R159 E179 T180C154-L156 VanDerWaalsContact C-N 3.28Å; C154-R159 PolarHBondContact O-NH2 3.35Å; C154-E179 HydrophobicContact CB-CB 4.14Å; C154-T180 PolarHBondContact N-O 3.27Å; C154-T180 PolarHBondContact SG-O 3Å
155D97Very high94.4Very high58 Ų5847 Ų4731%0.3124%0.239SC..THydrogen-bonded Turntrans-71.2-19.1171.358.7-73000113.7K153 S181 T184K153-D155 PolarHBondContact O-N 3.45Å; K153-D155 VanDerWaalsContact O-N 3.09Å; D155-S181 WeakPolarHBondContact CB-OG 3.42Å; D155-S181 VanDerWaalsContact OD1-CB 3.22Å; D155-S181 WeakPolarHBondContact OD1-CB 3.22Å; D155-S181 PolarHBondContact OD1-OG 2.7Å; D155-T184 HydrophobicContact CB-CG2 4.15Å
156L95.8Very high95Very high53 Ų5345.9 Ų45.928%0.27723%0.234SC..  trans-77.2135.2178.5-61.5-179.5000111N83 K153 C154 Q158N83-L156 HydrophobicContact CB-CD1 4.35Å; K153-L156 HydrophobicContact CB-CD1 3.78Å; K153-L156 HydrophobicContact CB-CG 4.09Å; K153-L156 HydrophobicContact CD-CD1 3.99Å; K153-L156 HydrophobicContact CG-CD1 4.49Å; K153-L156 WeakPolarHBondContact O-CB 3.43Å; K153-L156 PolarHBondContact O-N 3.4Å; C154-L156 VanDerWaalsContact C-N 3.28Å; L156-Q158 VanDerWaalsContact C-N 3.31Å
157P94.1Very high95.3Very high108 Ų10849 Ų4970%0.70125%0.248SC*.SBendtrans-72-2717527.2-31.3000112.1R159P157-R159 PolarHBondContact O-N 3.32Å
158Q92.5Very high95.5Very high128 Ų12854.9 Ų54.960%0.59828%0.275SS*.  trans-73.5113.1175.4-64.277.22500110.1N83 L156N83-Q158 VanDerWaalsContact CB-O 3.24Å; N83-Q158 WeakPolarHBondContact CB-O 3.48Å; L156-Q158 VanDerWaalsContact C-N 3.31Å
159R94.6Very high95.3Very high114 Ų11456.5 Ų56.543%0.4329%0.285SS..  trans-117.7125.7174.1-67.5-179.7170.6-110.8-0.3109.5V82 C154 P157 M163 E179V82-R159 HydrophobicContact CB-CG 4.49Å; V82-R159 HydrophobicContact CG2-CG 4.38Å; V82-R159 WeakPolarHBondContact O-CA 3.13Å; C154-R159 PolarHBondContact O-NH2 3.35Å; P157-R159 PolarHBondContact O-N 3.32Å; R159-M163 VanDerWaalsContact NH1-CG 3.34Å; R159-E179 IonicContact CZ-OE1 2.72Å; R159-E179 IonicContact NH1-OE1 2.92Å; R159-E179 PolarHBondContact NH1-OE1 2.96Å; R159-E179 IonicContact NH2-OE1 3.97Å; R159-E179 PolarHBondContact NH2-OE1 2.84Å
160A95.3Very high95.1Very high56 Ų5656.4 Ų56.446%0.46329%0.285SS..  trans-103.4-9.5175.400000112.3V82 N83V82-A160 PolarHBondContact O-N 3.48Å; N83-A160 WeakPolarHBondContact O-CB 3.31Å
161V94.1Very high94.9Very high12 Ų1263.2 Ų63.27%0.07332%0.315CS..SBendtrans-119.8131.8-176.8-175.20000110.1F80 V82 F88 M163 V166F80-V161 HydrophobicContact CD2-CG2 4.42Å; F80-V161 HydrophobicContact CE2-CB 4.32Å; F80-V161 HydrophobicContact CE2-CG1 4.14Å; F80-V161 HydrophobicContact CE2-CG2 4.38Å; V82-V161 PolarHBondContact O-N 2.86Å; F88-V161 HydrophobicContact CB-CG1 4.07Å; F88-V161 HydrophobicContact CB-CG2 3.91Å; F88-V161 HydrophobicContact CD1-CG1 3.75Å; F88-V161 HydrophobicContact CD2-CG1 4.47Å; F88-V161 HydrophobicContact CE1-CG1 4.35Å; F88-V161 HydrophobicContact CG-CG1 3.81Å; V161-M163 HydrophobicContact CB-CE 3.74Å; V161-M163 HydrophobicContact CG1-CE 3.83Å; V161-M163 WeakPolarHBondContact O-CE 3.35Å; V161-M163 PolarHBondContact O-N 3.5Å; V161-V166 HydrophobicContact CG1-CG2 3.36Å
162D95.2Very high94.4Very high68 Ų6867.4 Ų67.436%0.36434%0.344SS..  trans-79.2116.6172.4-173-22.5000110.4R164 V165 V166D162-R164 PolarHBondContact O-N 3.22Å; D162-R164 VanDerWaalsContact OD1-CB 3.31Å; D162-R164 WeakPolarHBondContact OD1-CB 3.47Å; D162-R164 PolarHBondContact OD1-N 3.35Å; D162-R164 IonicContact OD1-NE 3.83Å; D162-R164 PolarHBondContact OD1-NE 2.94Å; D162-R164 IonicContact OD1-NH2 2.78Å; D162-R164 IonicContact OD2-CZ 3.66Å; D162-R164 IonicContact OD2-NE 3.83Å; D162-R164 PolarHBondContact OD2-NE 3.34Å; D162-R164 IonicContact OD2-NH2 3.48Å; D162-R164 PolarHBondContact OD2-NH2 2.82Å; D162-V165 HydrophobicContact CB-CB 4.47Å; D162-V165 HydrophobicContact CB-CG2 4.02Å; D162-V165 WeakPolarHBondContact O-CB 3.28Å; D162-V165 PolarHBondContact O-N 2.98Å; D162-V165 VanDerWaalsContact O-N 3.08Å; D162-V166 PolarHBondContact O-N 2.91Å
163M95Very high94Very high32 Ų3270.7 Ų70.716%0.15836%0.357CS..Hα-helixtrans-63.7-22.8-177.6-63.3-57.4103.500113.4F80 V82 R159 V161 V166 Q167 F177 E179F80-M163 HydrophobicContact CE2-CE 4.11Å; F80-M163 HydrophobicContact CZ-CE 4.3Å; F80-M163 HydrophobicContact CZ-SD 4.5Å; V82-M163 HydrophobicContact CB-CE 4.39Å; V82-M163 HydrophobicContact CG1-CE 4.08Å; V82-M163 HydrophobicContact CG1-SD 4.31Å; R159-M163 VanDerWaalsContact NH1-CG 3.34Å; V161-M163 HydrophobicContact CB-CE 3.74Å; V161-M163 HydrophobicContact CG1-CE 3.83Å; V161-M163 WeakPolarHBondContact O-CE 3.35Å; V161-M163 PolarHBondContact O-N 3.5Å; M163-V166 HydrophobicContact CE-CG2 4.01Å; M163-V166 PolarHBondContact O-N 3.21Å; M163-V166 HydrophobicContact SD-CG2 4.37Å; M163-Q167 VanDerWaalsContact O-CB 3.28Å; M163-Q167 WeakPolarHBondContact O-CB 3.41Å; M163-Q167 PolarHBondContact O-N 3.35Å; M163-F177 HydrophobicContact SD-CE1 4.42Å; M163-F177 HydrophobicContact SD-CZ 3.89Å; M163-E179 HydrophobicContact SD-CG 4.15Å
164R95.8Very high93.6Very high175 Ų17571.1 Ų71.166%0.6638%0.377SS*.Hα-helixtrans-64.9-44.8173.8-64.5174-67.9-179.71.5110.6D162 V166 Q167 E168D162-R164 PolarHBondContact O-N 3.22Å; D162-R164 VanDerWaalsContact OD1-CB 3.31Å; D162-R164 WeakPolarHBondContact OD1-CB 3.47Å; D162-R164 PolarHBondContact OD1-N 3.35Å; D162-R164 IonicContact OD1-NE 3.83Å; D162-R164 PolarHBondContact OD1-NE 2.94Å; D162-R164 IonicContact OD1-NH2 2.78Å; D162-R164 IonicContact OD2-CZ 3.66Å; D162-R164 IonicContact OD2-NE 3.83Å; D162-R164 PolarHBondContact OD2-NE 3.34Å; D162-R164 IonicContact OD2-NH2 3.48Å; D162-R164 PolarHBondContact OD2-NH2 2.82Å; R164-V166 VanDerWaalsContact C-N 3.33Å; R164-V166 PolarHBondContact O-N 3.21Å; R164-Q167 PolarHBondContact O-N 2.93Å; R164-E168 WeakPolarHBondContact O-CB 3.39Å; R164-E168 WeakPolarHBondContact O-CG 3.36Å; R164-E168 PolarHBondContact O-N 3.43Å
165V96.1Very high93.3Very high66 Ų6670.9 Ų70.940%0.438%0.375SS..Hα-helixtrans-62.9-41.9176.6179.10000110.4F88 D162 E168 T169F88-V165 HydrophobicContact CE1-CG1 4.09Å; F88-V165 HydrophobicContact CZ-CG1 4.47Å; D162-V165 HydrophobicContact CB-CB 4.47Å; D162-V165 HydrophobicContact CB-CG2 4.02Å; D162-V165 WeakPolarHBondContact O-CB 3.28Å; D162-V165 PolarHBondContact O-N 2.98Å; D162-V165 VanDerWaalsContact O-N 3.08Å; V165-E168 PolarHBondContact O-N 2.78Å; V165-T169 VanDerWaalsContact O-CB 3.25Å; V165-T169 WeakPolarHBondContact O-CB 3.37Å; V165-T169 PolarHBondContact O-N 3.17Å; V165-T169 PolarHBondContact O-OG1 2.96Å
166V96.1Very high93.3Very high1 Ų169.9 Ų69.91%0.00637%0.371CS..Hα-helixtrans-60.4-48.8175.4-1770000110.9F80 F88 V149 V161 D162 M163 R164 E168 T169 A170 F177F80-V166 HydrophobicContact CE1-CG1 3.68Å; F80-V166 HydrophobicContact CE1-CG2 4.38Å; F80-V166 HydrophobicContact CE2-CG2 4.28Å; F80-V166 HydrophobicContact CZ-CB 4.35Å; F80-V166 HydrophobicContact CZ-CG1 3.7Å; F80-V166 HydrophobicContact CZ-CG2 3.73Å; F88-V166 HydrophobicContact CD1-CG2 4.48Å; F88-V166 HydrophobicContact CD2-CG1 4.35Å; F88-V166 HydrophobicContact CD2-CG2 3.9Å; F88-V166 HydrophobicContact CE1-CG2 4.23Å; F88-V166 HydrophobicContact CE2-CB 3.96Å; F88-V166 HydrophobicContact CE2-CG1 3.81Å; F88-V166 HydrophobicContact CE2-CG2 3.64Å; F88-V166 HydrophobicContact CG-CG2 4.33Å; F88-V166 HydrophobicContact CZ-CB 4.17Å; F88-V166 HydrophobicContact CZ-CG1 4.48Å; F88-V166 HydrophobicContact CZ-CG2 3.82Å; V149-V166 HydrophobicContact CG1-CG1 4.32Å; V161-V166 HydrophobicContact CG1-CG2 3.36Å; D162-V166 PolarHBondContact O-N 2.91Å; M163-V166 HydrophobicContact CE-CG2 4.01Å; M163-V166 PolarHBondContact O-N 3.21Å; M163-V166 HydrophobicContact SD-CG2 4.37Å; R164-V166 VanDerWaalsContact C-N 3.33Å; R164-V166 PolarHBondContact O-N 3.21Å; V166-E168 PolarHBondContact O-N 3.11Å; V166-T169 PolarHBondContact O-N 3.31Å; V166-A170 WeakPolarHBondContact O-CB 3.45Å; V166-A170 PolarHBondContact O-N 3.42Å; V166-F177 HydrophobicContact CB-CE1 4.41Å; V166-F177 HydrophobicContact CB-CZ 4.3Å; V166-F177 HydrophobicContact CG1-CD1 4.14Å; V166-F177 HydrophobicContact CG1-CD2 3.66Å; V166-F177 HydrophobicContact CG1-CE1 3.96Å; V166-F177 HydrophobicContact CG1-CE2 3.47Å; V166-F177 VanDerWaalsContact CG1-CE2 3.47Å; V166-F177 HydrophobicContact CG1-CG 4Å; V166-F177 HydrophobicContact CG1-CZ 3.63Å
167Q96.4Very high93.3Very high68 Ų6868.8 Ų68.832%0.31836%0.364SS..Hα-helixtrans-63.1-41.7-178.1-17762.97500112.1M163 R164 K171M163-Q167 VanDerWaalsContact O-CB 3.28Å; M163-Q167 WeakPolarHBondContact O-CB 3.41Å; M163-Q167 PolarHBondContact O-N 3.35Å; R164-Q167 PolarHBondContact O-N 2.93Å; Q167-K171 HydrophobicContact CG-CD 4.31Å; Q167-K171 VanDerWaalsContact O-CB 3.32Å; Q167-K171 WeakPolarHBondContact O-CB 3.33Å; Q167-K171 WeakPolarHBondContact O-CG 3.32Å; Q167-K171 PolarHBondContact O-N 2.84Å
168E95.2Very high93.5Very high130 Ų13065 Ų6561%0.60734%0.338SS*.Hα-helixtrans-65.5-43.4174.6-73.8173-175.900111.6R164 V165 V166 K171 S172R164-E168 WeakPolarHBondContact O-CB 3.39Å; R164-E168 WeakPolarHBondContact O-CG 3.36Å; R164-E168 PolarHBondContact O-N 3.43Å; V165-E168 PolarHBondContact O-N 2.78Å; V166-E168 PolarHBondContact O-N 3.11Å; E168-K171 PolarHBondContact O-N 2.8Å; E168-S172 WeakPolarHBondContact O-CB 3.24Å; E168-S172 PolarHBondContact O-N 3.43Å
169T89.8Confident93.8Very high34 Ų3462.1 Ų62.121%0.20932%0.324CS..Hα-helixtrans-62.1-49.1177.5-59.30000110.8F88 V165 V166 K171 S172 Y173F88-T169 HydrophobicContact CZ-CG2 4.22Å; V165-T169 VanDerWaalsContact O-CB 3.25Å; V165-T169 WeakPolarHBondContact O-CB 3.37Å; V165-T169 PolarHBondContact O-N 3.17Å; V165-T169 PolarHBondContact O-OG1 2.96Å; V166-T169 PolarHBondContact O-N 3.31Å; T169-K171 PolarHBondContact O-N 3.12Å; T169-S172 WeakPolarHBondContact O-CB 3.44Å; T169-S172 PolarHBondContact O-N 3.22Å; T169-S172 VanDerWaalsContact O-N 3.16Å; T169-S172 PolarHBondContact O-OG 3Å; T169-Y173 HydrophobicContact CG2-CD2 4.17Å; T169-Y173 HydrophobicContact CG2-CE2 3.57Å; T169-Y173 PolarHBondContact O-N 2.49Å; T169-Y173 VanDerWaalsContact O-N 3.08Å
170A92Very high94Very high1 Ų156.7 Ų56.71%0.00830%0.304CS..Hα-helixtrans-61.1-43.3177.100000111.9V149 V166 S172 Y173 G174 I175 F177V149-A170 HydrophobicContact CG2-CB 4.29Å; V166-A170 WeakPolarHBondContact O-CB 3.45Å; V166-A170 PolarHBondContact O-N 3.42Å; A170-S172 PolarHBondContact O-N 3.03Å; A170-Y173 CarbonylContact O-C 3.59Å; A170-Y173 PolarHBondContact O-N 3.46Å; A170-Y173 VanDerWaalsContact O-N 3.17Å; A170-G174 PolarHBondContact O-N 3.46Å; A170-G174 VanDerWaalsContact O-N 3.08Å; A170-I175 CarbonylContact C-O 3.54Å; A170-I175 WeakPolarHBondContact CB-O 3.4Å; A170-I175 PolarHBondContact O-N 3.32Å; A170-I175 VanDerWaalsContact O-O 3.12Å; A170-F177 HydrophobicContact CB-CB 3.8Å
171K90.6Very high94.1Very high144 Ų14454 Ų5463%0.62628%0.282SS*.Hα-helixtrans-59.4-43.4172.8-78.9172.1-179.8176.90112.1Q167 E168 T169 Y173 G174Q167-K171 HydrophobicContact CG-CD 4.31Å; Q167-K171 VanDerWaalsContact O-CB 3.32Å; Q167-K171 WeakPolarHBondContact O-CB 3.33Å; Q167-K171 WeakPolarHBondContact O-CG 3.32Å; Q167-K171 PolarHBondContact O-N 2.84Å; E168-K171 PolarHBondContact O-N 2.8Å; T169-K171 PolarHBondContact O-N 3.12Å; K171-Y173 PolarHBondContact O-N 3.27Å; K171-G174 PolarHBondContact O-N 2.93Å
172S88.2Confident94.2Very high88 Ų8853.6 Ų53.662%0.61528%0.279SS*.Hα-helixtrans-61.7-31.2178.184.20000112.2E168 T169 A170E168-S172 WeakPolarHBondContact O-CB 3.24Å; E168-S172 PolarHBondContact O-N 3.43Å; T169-S172 WeakPolarHBondContact O-CB 3.44Å; T169-S172 PolarHBondContact O-N 3.22Å; T169-S172 VanDerWaalsContact O-N 3.16Å; T169-S172 PolarHBondContact O-OG 3Å; A170-S172 PolarHBondContact O-N 3.03Å
173Y87.1Confident94.3Very high71 Ų7155.9 Ų55.928%0.27829%0.286SS..Hα-helixtrans-83.2-11.1174.8-63.2-21.7000113.9R95 T169 A170 K171 I175R95-Y173 VanDerWaalsContact CD-CD2 3.42Å; T169-Y173 HydrophobicContact CG2-CD2 4.17Å; T169-Y173 HydrophobicContact CG2-CE2 3.57Å; T169-Y173 PolarHBondContact O-N 2.49Å; T169-Y173 VanDerWaalsContact O-N 3.08Å; A170-Y173 CarbonylContact O-C 3.59Å; A170-Y173 PolarHBondContact O-N 3.46Å; A170-Y173 VanDerWaalsContact O-N 3.17Å; K171-Y173 PolarHBondContact O-N 3.27Å; Y173-I175 VanDerWaalsContact C-N 3.28Å; Y173-I175 HydrophobicContact CD2-CD1 4.32Å; Y173-I175 HydrophobicContact CG-CD1 4.37Å
174G88.5Confident94.4Very high66 Ų6658.1 Ų58.168%0.6830%0.302SS*.THydrogen-bonded Turntrans67.928.2-171.900000113.1A170 K171A170-G174 PolarHBondContact O-N 3.46Å; A170-G174 VanDerWaalsContact O-N 3.08Å; K171-G174 PolarHBondContact O-N 2.93Å
175I91.1Very high94.5Very high16 Ų1652.8 Ų52.88%0.08228%0.282CS..  trans-113136.6-175.1-60.3172.8000108.5R95 L147 V149 A170 Y173R95-I175 HydrophobicContact CG-CD1 4.28Å; L147-I175 HydrophobicContact CB-CD1 3.72Å; L147-I175 HydrophobicContact CB-CG1 4.02Å; L147-I175 HydrophobicContact CB-CG2 3.74Å; L147-I175 HydrophobicContact CD1-CD1 3.48Å; L147-I175 VanDerWaalsContact CD1-CD1 3.48Å; L147-I175 HydrophobicContact CD1-CG1 4.39Å; L147-I175 HydrophobicContact CG-CD1 4.23Å; L147-I175 WeakPolarHBondContact O-CG2 3.35Å; V149-I175 HydrophobicContact CG2-CG2 4.02Å; A170-I175 CarbonylContact C-O 3.54Å; A170-I175 WeakPolarHBondContact CB-O 3.4Å; A170-I175 PolarHBondContact O-N 3.32Å; A170-I175 VanDerWaalsContact O-O 3.12Å; Y173-I175 VanDerWaalsContact C-N 3.28Å; Y173-I175 HydrophobicContact CD2-CD1 4.32Å; Y173-I175 HydrophobicContact CG-CD1 4.37Å
176P95.3Very high94.6Very high36 Ų3655.4 Ų55.423%0.23429%0.291CS..  trans-62.7158.9172.623.9-31.4000112.2L147 L148 V149 T194 E198L147-P176 WeakPolarHBondContact O-CD 3.15Å; L148-P176 HydrophobicContact CB-CG 4.4Å; L148-P176 HydrophobicContact CD1-CB 3.6Å; L148-P176 HydrophobicContact CD1-CG 3.58Å; L148-P176 WeakPolarHBondContact CD1-O 3.37Å; V149-P176 PolarHBondContact N-O 3.48Å; P176-T194 HydrophobicContact CB-CG2 4.15Å; P176-T194 HydrophobicContact CG-CG2 4.15Å; P176-E198 HydrophobicContact CG-CG 3.98Å
177F97.1Very high94.7Very high30 Ų3055.9 Ų55.913%0.13230%0.296CS..EExtended strand (participates in β ladder)trans-134.3134.3175.7167.6-119.6000109.6F80 V149 M163 V166 A170 E179F80-F177 HydrophobicContact CE1-CD2 4.48Å; F80-F177 AromaticContact CE1-CE2 3.78Å; F80-F177 HydrophobicContact CE1-CE2 3.78Å; F80-F177 AromaticContact CZ-CE2 3.89Å; F80-F177 HydrophobicContact CZ-CE2 3.89Å; F80-F177 HydrophobicContact CZ-CZ 4.25Å; V149-F177 HydrophobicContact CB-CB 4.45Å; V149-F177 HydrophobicContact CB-CD2 4.07Å; V149-F177 HydrophobicContact CG1-CD2 3.84Å; V149-F177 HydrophobicContact CG1-CE2 4.42Å; V149-F177 WeakPolarHBondContact O-CA 3.4Å; V149-F177 WeakPolarHBondContact O-CD2 3.41Å; M163-F177 HydrophobicContact SD-CE1 4.42Å; M163-F177 HydrophobicContact SD-CZ 3.89Å; V166-F177 HydrophobicContact CB-CE1 4.41Å; V166-F177 HydrophobicContact CB-CZ 4.3Å; V166-F177 HydrophobicContact CG1-CD1 4.14Å; V166-F177 HydrophobicContact CG1-CD2 3.66Å; V166-F177 HydrophobicContact CG1-CE1 3.96Å; V166-F177 HydrophobicContact CG1-CE2 3.47Å; V166-F177 VanDerWaalsContact CG1-CE2 3.47Å; V166-F177 HydrophobicContact CG1-CG 4Å; V166-F177 HydrophobicContact CG1-CZ 3.63Å; A170-F177 HydrophobicContact CB-CB 3.8Å; F177-E179 HydrophobicContact CE1-CG 4.07Å; F177-E179 HydrophobicContact CE2-CG 4.41Å; F177-E179 HydrophobicContact CZ-CG 3.57Å
178I98.3Very high94.7Very high30 Ų3052.7 Ų52.715%0.15428%0.281CS..EExtended strand (participates in β ladder)trans-135.9132.5176.7-68.8173.2000109.2L148 V149 V150 G151 T180 D190 A191 T194L148-I178 HydrophobicContact CD1-CD1 4.2Å; L148-I178 HydrophobicContact CD1-CG1 4.21Å; L148-I178 HydrophobicContact CD2-CD1 4.3Å; V149-I178 PolarHBondContact O-N 3.26Å; V150-I178 VanDerWaalsContact CA-O 3.32Å; V150-I178 WeakPolarHBondContact CA-O 3.42Å; G151-I178 PolarHBondContact N-O 2.89Å; I178-T180 HydrophobicContact CG2-CG2 3.98Å; I178-D190 HydrophobicContact CD1-CB 4.32Å; I178-A191 HydrophobicContact CG2-CB 4.22Å; I178-T194 HydrophobicContact CD1-CG2 4.04Å; I178-T194 WeakPolarHBondContact CD1-OG1 3.07Å
179E98.3Very high94.8Very high67 Ų6748.1 Ų48.131%0.31326%0.261SS..EExtended strand (participates in β ladder)trans-81.8140.7167.2-73.8-17288.900110.4G151 C154 R159 M163 F177G151-E179 CarbonylContact O-C 3.31Å; G151-E179 WeakPolarHBondContact O-CA 3.05Å; C154-E179 HydrophobicContact CB-CB 4.14Å; R159-E179 IonicContact CZ-OE1 2.72Å; R159-E179 IonicContact NH1-OE1 2.92Å; R159-E179 PolarHBondContact NH1-OE1 2.96Å; R159-E179 IonicContact NH2-OE1 3.97Å; R159-E179 PolarHBondContact NH2-OE1 2.84Å; M163-E179 HydrophobicContact SD-CG 4.15Å; F177-E179 HydrophobicContact CE1-CG 4.07Å; F177-E179 HydrophobicContact CE2-CG 4.41Å; F177-E179 HydrophobicContact CZ-CG 3.57Å
180T98.3Very high95.2Very high0 Ų051 Ų510%028%0.275CS..  trans-135.5155.1-179.561.80000112.5L17 V150 G151 N152 K153 C154 I178 M186 G187 A191L17-T180 HydrophobicContact CD2-CG2 4.46Å; L17-T180 WeakPolarHBondContact CD2-OG1 3.39Å; V150-T180 HydrophobicContact CG1-CG2 3.69Å; V150-T180 WeakPolarHBondContact CG1-OG1 3.11Å; G151-T180 PolarHBondContact O-N 3.26Å; N152-T180 CarbonylContact C-O 3.56Å; N152-T180 VanDerWaalsContact C-O 3.31Å; N152-T180 VanDerWaalsContact CA-O 3.25Å; N152-T180 WeakPolarHBondContact CA-O 3.34Å; N152-T180 WeakPolarHBondContact CA-OG1 3.47Å; N152-T180 PolarHBondContact OD1-O 2.67Å; N152-T180 PolarHBondContact OD1-OG1 3.39Å; K153-T180 PolarHBondContact N-O 2.88Å; C154-T180 PolarHBondContact N-O 3.27Å; C154-T180 PolarHBondContact SG-O 3Å; I178-T180 HydrophobicContact CG2-CG2 3.98Å; T180-M186 CarbonylContact C-O 3.17Å; T180-M186 VanDerWaalsContact CA-O 3.25Å; T180-M186 WeakPolarHBondContact CA-O 3.37Å; T180-G187 WeakPolarHBondContact CG2-O 3.26Å; T180-A191 HydrophobicContact CG2-CB 3.93Å
181S97.9Very high95.4Very high0 Ų051.1 Ų51.10%028%0.276CS..  trans-128.7106164.5169.70000107.7D155 K183 T184 R185 M186D155-S181 WeakPolarHBondContact CB-OG 3.42Å; D155-S181 VanDerWaalsContact OD1-CB 3.22Å; D155-S181 WeakPolarHBondContact OD1-CB 3.22Å; D155-S181 PolarHBondContact OD1-OG 2.7Å; S181-K183 PolarHBondContact O-N 2.86Å; S181-K183 PolarHBondContact OG-N 3.26Å; S181-T184 WeakPolarHBondContact CB-OG1 3.48Å; S181-T184 PolarHBondContact O-N 2.84Å; S181-T184 PolarHBondContact OG-N 3.01Å; S181-T184 PolarHBondContact OG-OG1 3.01Å; S181-R185 CarbonylContact O-C 3.56Å; S181-R185 VanDerWaalsContact O-CA 3.3Å; S181-R185 WeakPolarHBondContact O-CA 3.18Å; S181-R185 PolarHBondContact O-N 3.08Å; S181-M186 PolarHBondContact N-O 3.39Å; S181-M186 PolarHBondContact O-N 2.8Å
182A96.1Very high95.6Very high3 Ų344.3 Ų44.33%0.02525%0.246CC..THydrogen-bonded Turntrans-54.6-36.6170.500000111.4A16 L17 Q20 F26 N152A16-A182 HydrophobicContact CB-CB 3.66Å; L17-A182 HydrophobicContact CD2-CB 3.91Å; L17-A182 HydrophobicContact CG-CB 4.14Å; Q20-A182 VanDerWaalsContact CD-O 3.23Å; Q20-A182 VanDerWaalsContact CG-O 3.24Å; Q20-A182 WeakPolarHBondContact CG-O 3.47Å; Q20-A182 PolarHBondContact NE2-O 3.3Å; F26-A182 HydrophobicContact CD2-CB 4.21Å; F26-A182 HydrophobicContact CE2-CB 4.2Å; N152-A182 PolarHBondContact OD1-N 3.03Å; N152-A182 VanDerWaalsContact OD1-N 3.13Å
183K96.7Very high96Very high116 Ų11642.4 Ų42.450%0.50423%0.226SC..THydrogen-bonded Turntrans-63.8-48.3-179.8-174.8175.7-177.1174.30113.2F26 S181F26-K183 HydrophobicContact CD1-CB 4.44Å; F26-K183 HydrophobicContact CD1-CG 4.17Å; F26-K183 HydrophobicContact CD2-CB 4.28Å; F26-K183 HydrophobicContact CE1-CB 4.37Å; F26-K183 HydrophobicContact CE1-CG 4.19Å; F26-K183 HydrophobicContact CE2-CB 4.2Å; F26-K183 HydrophobicContact CG-CB 4.4Å; F26-K183 HydrophobicContact CZ-CB 4.25Å; S181-K183 PolarHBondContact O-N 2.86Å; S181-K183 PolarHBondContact OG-N 3.26Å
184T97.5Very high96.4Very high79 Ų7940.4 Ų40.449%0.48522%0.221SC..THydrogen-bonded Turntrans-96.8-3.4-174.764.90000113.7D155 S181 M186D155-T184 HydrophobicContact CB-CG2 4.15Å; S181-T184 WeakPolarHBondContact CB-OG1 3.48Å; S181-T184 PolarHBondContact O-N 2.84Å; S181-T184 PolarHBondContact OG-N 3.01Å; S181-T184 PolarHBondContact OG-OG1 3.01Å; T184-M186 PolarHBondContact O-N 3.31Å; T184-M186 WeakPolarHBondContact OG1-CB 3.25Å; T184-M186 PolarHBondContact OG1-N 2.8Å
185R97.5Very high96.7Very high63 Ų6337.3 Ų37.324%0.23819%0.189CC..  trans68.3-1.4-170.4-162.3166.2174.81544.2114.9Q20 N24 S181 G187 V188 D189Q20-R185 HydrophobicContact CG-CB 4.09Å; Q20-R185 HydrophobicContact CG-CG 4.01Å; N24-R185 VanDerWaalsContact CB-NH1 3.29Å; N24-R185 PolarHBondContact OD1-NH1 3.43Å; S181-R185 CarbonylContact O-C 3.56Å; S181-R185 VanDerWaalsContact O-CA 3.3Å; S181-R185 WeakPolarHBondContact O-CA 3.18Å; S181-R185 PolarHBondContact O-N 3.08Å; R185-G187 PolarHBondContact O-N 3.4Å; R185-V188 HydrophobicContact CG-CB 4.26Å; R185-V188 HydrophobicContact CG-CG2 4.48Å; R185-V188 WeakPolarHBondContact O-CG2 3.24Å; R185-V188 PolarHBondContact O-N 3.45Å; R185-V188 VanDerWaalsContact O-N 3.16Å; R185-D189 IonicContact CZ-OD1 2.97Å; R185-D189 IonicContact CZ-OD2 3.18Å; R185-D189 IonicContact NE-OD1 3.37Å; R185-D189 IonicContact NE-OD2 2.73Å; R185-D189 PolarHBondContact NE-OD2 3.49Å; R185-D189 IonicContact NH2-OD1 3.32Å; R185-D189 PolarHBondContact NH2-OD1 3.49Å; R185-D189 IonicContact NH2-OD2 3.2Å; R185-D189 PolarHBondContact NH2-OD2 3.28Å; R185-D189 VanDerWaalsContact NH2-OD2 3.1Å
186M98.3Very high96.9Very high120 Ų12036.5 Ų36.559%0.59119%0.185SC*.THydrogen-bonded Turntrans-54.8128.4177.9-174.4179.3-65.600111.1T180 S181 T184 V188T180-M186 CarbonylContact C-O 3.17Å; T180-M186 VanDerWaalsContact CA-O 3.25Å; T180-M186 WeakPolarHBondContact CA-O 3.37Å; S181-M186 PolarHBondContact N-O 3.39Å; S181-M186 PolarHBondContact O-N 2.8Å; T184-M186 PolarHBondContact O-N 3.31Å; T184-M186 WeakPolarHBondContact OG1-CB 3.25Å; T184-M186 PolarHBondContact OG1-N 2.8Å; M186-V188 PolarHBondContact O-N 2.7Å
187G98.1Very high96.9Very high12 Ų1239.5 Ų39.512%0.12419%0.192CC..THydrogen-bonded Turntrans67.9-3.5177.200000116T180 R185 D190 A191T180-G187 WeakPolarHBondContact CG2-O 3.26Å; R185-G187 PolarHBondContact O-N 3.4Å; G187-D190 PolarHBondContact O-N 3.4Å; G187-A191 WeakPolarHBondContact O-CB 3.27Å; G187-A191 PolarHBondContact O-N 3.38Å
188V97.6Very high96.7Very high1 Ų140.4 Ų40.41%0.00620%0.196CC..Hα-helixtrans-64.1-55.5-174.2177.50000110.6L17 Q20 L21 R185 M186 D190 A191 F192L17-V188 HydrophobicContact CD2-CG1 4.43Å; L17-V188 HydrophobicContact CD2-CG2 3.72Å; Q20-V188 HydrophobicContact CG-CG1 4.49Å; Q20-V188 HydrophobicContact CG-CG2 4.31Å; L21-V188 HydrophobicContact CB-CG1 3.98Å; R185-V188 HydrophobicContact CG-CB 4.26Å; R185-V188 HydrophobicContact CG-CG2 4.48Å; R185-V188 WeakPolarHBondContact O-CG2 3.24Å; R185-V188 PolarHBondContact O-N 3.45Å; R185-V188 VanDerWaalsContact O-N 3.16Å; M186-V188 PolarHBondContact O-N 2.7Å; V188-D190 VanDerWaalsContact C-N 3.31Å; V188-D190 PolarHBondContact O-N 2.93Å; V188-A191 PolarHBondContact O-N 3.06Å; V188-F192 HydrophobicContact CG1-CD2 4.39Å; V188-F192 HydrophobicContact CG1-CE2 4.32Å; V188-F192 WeakPolarHBondContact O-CD2 3.46Å; V188-F192 PolarHBondContact O-N 2.88Å
189D96.4Very high96.4Very high34 Ų3439 Ų3918%0.18219%0.189CC..Hα-helixtrans-58.7-44.3176.8-64.3-97.6000111.3R185 A191 F192 Y193R185-D189 IonicContact CZ-OD1 2.97Å; R185-D189 IonicContact CZ-OD2 3.18Å; R185-D189 IonicContact NE-OD1 3.37Å; R185-D189 IonicContact NE-OD2 2.73Å; R185-D189 PolarHBondContact NE-OD2 3.49Å; R185-D189 IonicContact NH2-OD1 3.32Å; R185-D189 PolarHBondContact NH2-OD1 3.49Å; R185-D189 IonicContact NH2-OD2 3.2Å; R185-D189 PolarHBondContact NH2-OD2 3.28Å; R185-D189 VanDerWaalsContact NH2-OD2 3.1Å; D189-A191 VanDerWaalsContact C-N 3.3Å; D189-A191 PolarHBondContact O-N 3.38Å; D189-F192 PolarHBondContact O-N 2.94Å; D189-Y193 HydrophobicContact CB-CD2 4.27Å; D189-Y193 HydrophobicContact CB-CE2 3.82Å; D189-Y193 WeakPolarHBondContact O-CB 3.32Å; D189-Y193 WeakPolarHBondContact O-CD1 3.2Å; D189-Y193 WeakPolarHBondContact O-CD2 3.35Å; D189-Y193 PolarHBondContact O-N 3.47Å; D189-Y193 PolarHBondContact OD1-OH 3Å
190D97.7Very high96.1Very high94 Ų9437.1 Ų37.150%0.50318%0.179SC..Hα-helixtrans-58.6-40.4179.4-66.9-36.3000112.4I178 G187 V188 T194I178-D190 HydrophobicContact CD1-CB 4.32Å; G187-D190 PolarHBondContact O-N 3.4Å; V188-D190 VanDerWaalsContact C-N 3.31Å; V188-D190 PolarHBondContact O-N 2.93Å; D190-T194 WeakPolarHBondContact O-CB 3.26Å; D190-T194 PolarHBondContact O-N 3.31Å; D190-T194 PolarHBondContact O-OG1 3.13Å
191A96.8Very high95.8Very high3 Ų341.5 Ų41.53%0.02520%0.198CC..Hα-helixtrans-62.1-54.7178.200000111.4L148 V150 I178 T180 G187 V188 D189 Y193 T194 L195L148-A191 HydrophobicContact CD2-CB 3.86Å; L148-A191 WeakPolarHBondContact CD2-O 3.46Å; V150-A191 HydrophobicContact CG2-CB 4.15Å; I178-A191 HydrophobicContact CG2-CB 4.22Å; T180-A191 HydrophobicContact CG2-CB 3.93Å; G187-A191 WeakPolarHBondContact O-CB 3.27Å; G187-A191 PolarHBondContact O-N 3.38Å; V188-A191 PolarHBondContact O-N 3.06Å; D189-A191 VanDerWaalsContact C-N 3.3Å; D189-A191 PolarHBondContact O-N 3.38Å; A191-Y193 VanDerWaalsContact C-N 3.35Å; A191-Y193 PolarHBondContact O-N 3.26Å; A191-T194 PolarHBondContact O-N 3.01Å; A191-L195 PolarHBondContact O-N 2.81Å
192F95.1Very high95.3Very high1 Ų143.9 Ų43.90%0.00421%0.208CC..Hα-helixtrans-65.4-38.9-179.2-75.8-90.4000112.1F5 F7 L17 L21 I53 L77 V188 D189 L195 V196F5-F192 HydrophobicContact CD1-CD1 4.3Å; F5-F192 HydrophobicContact CD1-CE1 4.42Å; F5-F192 HydrophobicContact CD2-CD1 4.33Å; F5-F192 HydrophobicContact CD2-CE1 4.24Å; F5-F192 HydrophobicContact CE1-CD1 4.01Å; F5-F192 HydrophobicContact CE2-CD1 4.06Å; F5-F192 HydrophobicContact CE2-CE1 4.41Å; F5-F192 HydrophobicContact CG-CD1 4.45Å; F5-F192 HydrophobicContact CG-CE1 4.25Å; F5-F192 AromaticContact CZ-CD1 3.89Å; F5-F192 HydrophobicContact CZ-CD1 3.89Å; F7-F192 HydrophobicContact CZ-CZ 4.32Å; L17-F192 HydrophobicContact CB-CE2 4.41Å; L21-F192 HydrophobicContact CB-CD2 4.3Å; L21-F192 HydrophobicContact CB-CE2 4.14Å; L21-F192 HydrophobicContact CD1-CD2 4.48Å; L21-F192 HydrophobicContact CD2-CB 3.84Å; L21-F192 HydrophobicContact CD2-CD1 3.66Å; L21-F192 HydrophobicContact CD2-CD2 3.49Å; L21-F192 VanDerWaalsContact CD2-CD2 3.49Å; L21-F192 HydrophobicContact CD2-CE1 3.99Å; L21-F192 HydrophobicContact CD2-CE2 3.82Å; L21-F192 HydrophobicContact CD2-CG 3.4Å; L21-F192 HydrophobicContact CD2-CZ 4.06Å; L21-F192 HydrophobicContact CG-CD2 4.29Å; I53-F192 HydrophobicContact CD1-CD1 4.09Å; I53-F192 HydrophobicContact CD1-CE1 3.64Å; I53-F192 HydrophobicContact CD1-CZ 4.22Å; I53-F192 HydrophobicContact CG1-CE1 4.3Å; I53-F192 HydrophobicContact CG2-CE1 4.2Å; L77-F192 HydrophobicContact CD1-CD1 3.94Å; L77-F192 HydrophobicContact CD1-CE1 3.46Å; L77-F192 VanDerWaalsContact CD1-CE1 3.46Å; L77-F192 HydrophobicContact CD1-CE2 4.14Å; L77-F192 HydrophobicContact CD1-CG 4.46Å; L77-F192 HydrophobicContact CD1-CZ 3.58Å; V188-F192 HydrophobicContact CG1-CD2 4.39Å; V188-F192 HydrophobicContact CG1-CE2 4.32Å; V188-F192 WeakPolarHBondContact O-CD2 3.46Å; V188-F192 PolarHBondContact O-N 2.88Å; D189-F192 PolarHBondContact O-N 2.94Å; F192-L195 PolarHBondContact O-N 2.6Å; F192-V196 WeakPolarHBondContact O-CG2 3.49Å; F192-V196 PolarHBondContact O-N 2.93Å
193Y96.2Very high94.9Very high49 Ų4947.2 Ų47.219%0.19222%0.222CC..Hα-helixtrans-71.5-36.8-179.4-61.3-8.4000112.1V42 I44 D189 A191 L195 V196 R197V42-Y193 HydrophobicContact CB-CE1 4.5Å; V42-Y193 HydrophobicContact CG1-CE1 4.49Å; V42-Y193 HydrophobicContact CG2-CE1 4.29Å; I44-Y193 HydrophobicContact CD1-CD1 3.25Å; I44-Y193 HydrophobicContact CD1-CE1 3.8Å; I44-Y193 HydrophobicContact CD1-CG 3.79Å; I44-Y193 HydrophobicContact CG1-CD1 3.68Å; I44-Y193 HydrophobicContact CG1-CD2 4.36Å; I44-Y193 HydrophobicContact CG1-CE1 3.98Å; I44-Y193 HydrophobicContact CG1-CG 3.89Å; I44-Y193 HydrophobicContact CG2-CG 4.46Å; D189-Y193 HydrophobicContact CB-CD2 4.27Å; D189-Y193 HydrophobicContact CB-CE2 3.82Å; D189-Y193 WeakPolarHBondContact O-CB 3.32Å; D189-Y193 WeakPolarHBondContact O-CD1 3.2Å; D189-Y193 WeakPolarHBondContact O-CD2 3.35Å; D189-Y193 PolarHBondContact O-N 3.47Å; D189-Y193 PolarHBondContact OD1-OH 3Å; A191-Y193 VanDerWaalsContact C-N 3.35Å; A191-Y193 PolarHBondContact O-N 3.26Å; Y193-L195 VanDerWaalsContact C-N 3.32Å; Y193-L195 PolarHBondContact O-N 3.28Å; Y193-V196 WeakPolarHBondContact O-CB 3.28Å; Y193-V196 PolarHBondContact O-N 2.86Å; Y193-R197 WeakPolarHBondContact O-CG 3Å; Y193-R197 PolarHBondContact O-N 2.96Å
194T96.5Very high94.5Very high29 Ų2946.9 Ų46.918%0.17822%0.222CC..Hα-helixtrans-62.3-41.8172.3-63.40000111.2L148 P176 I178 D190 A191 R197 E198L148-T194 HydrophobicContact CD1-CG2 4.24Å; P176-T194 HydrophobicContact CB-CG2 4.15Å; P176-T194 HydrophobicContact CG-CG2 4.15Å; I178-T194 HydrophobicContact CD1-CG2 4.04Å; I178-T194 WeakPolarHBondContact CD1-OG1 3.07Å; D190-T194 WeakPolarHBondContact O-CB 3.26Å; D190-T194 PolarHBondContact O-N 3.31Å; D190-T194 PolarHBondContact O-OG1 3.13Å; A191-T194 PolarHBondContact O-N 3.01Å; T194-R197 WeakPolarHBondContact O-CB 3.14Å; T194-R197 PolarHBondContact O-N 3.42Å; T194-E198 PolarHBondContact O-N 2.94Å
195L94.8Very high93.9Very high0 Ų047.1 Ų47.10%022%0.216CC..Hα-helixtrans-66.7-38.5176.4-174.350.1000111.9F5 F76 L77 P146 L148 A191 F192 Y193 R197 E198 I199F5-L195 HydrophobicContact CD1-CD2 3.31Å; F5-L195 HydrophobicContact CD1-CG 4.17Å; F5-L195 HydrophobicContact CE1-CB 4.04Å; F5-L195 HydrophobicContact CE1-CD2 3.3Å; F5-L195 HydrophobicContact CE1-CG 3.65Å; F76-L195 WeakPolarHBondContact O-CD2 3.2Å; L77-L195 HydrophobicContact CD2-CB 4.36Å; L77-L195 HydrophobicContact CD2-CD2 3.46Å; L77-L195 VanDerWaalsContact CD2-CD2 3.46Å; L77-L195 HydrophobicContact CG-CD2 3.7Å; P146-L195 HydrophobicContact CB-CD1 3.99Å; L148-L195 HydrophobicContact CB-CB 4.26Å; L148-L195 HydrophobicContact CB-CD1 4.25Å; L148-L195 HydrophobicContact CB-CD2 4.38Å; L148-L195 HydrophobicContact CD2-CB 4.3Å; A191-L195 PolarHBondContact O-N 2.81Å; F192-L195 PolarHBondContact O-N 2.6Å; Y193-L195 VanDerWaalsContact C-N 3.32Å; Y193-L195 PolarHBondContact O-N 3.28Å; L195-R197 VanDerWaalsContact C-N 3.28Å; L195-R197 PolarHBondContact O-N 3.07Å; L195-E198 HydrophobicContact CD1-CB 4.5Å; L195-E198 PolarHBondContact O-N 3.38Å; L195-E198 VanDerWaalsContact O-N 3.17Å; L195-I199 HydrophobicContact CD1-CG1 4.43Å; L195-I199 HydrophobicContact CG-CD1 4.32Å; L195-I199 VanDerWaalsContact O-CG1 3.26Å; L195-I199 WeakPolarHBondContact O-CG1 3.26Å; L195-I199 PolarHBondContact O-N 2.71Å
196V94.8Very high93Very high0 Ų046.4 Ų46.40%022%0.218CC..Hα-helixtrans-55.8-43.5170.9166.80000111.7F3 I44 L51 F192 Y193 I199 R200F3-V196 HydrophobicContact CD2-CB 4.5Å; F3-V196 HydrophobicContact CD2-CG1 4.23Å; F3-V196 HydrophobicContact CD2-CG2 3.67Å; F3-V196 HydrophobicContact CE2-CB 4.23Å; F3-V196 HydrophobicContact CE2-CG1 3.52Å; F3-V196 HydrophobicContact CE2-CG2 3.85Å; F3-V196 HydrophobicContact CG-CG2 4.13Å; F3-V196 HydrophobicContact CZ-CB 4.47Å; F3-V196 HydrophobicContact CZ-CG1 3.68Å; F3-V196 HydrophobicContact CZ-CG2 4.47Å; I44-V196 HydrophobicContact CD1-CB 3.91Å; I44-V196 HydrophobicContact CD1-CG1 3.85Å; I44-V196 HydrophobicContact CD1-CG2 3.82Å; L51-V196 HydrophobicContact CD2-CG2 3.65Å; F192-V196 WeakPolarHBondContact O-CG2 3.49Å; F192-V196 PolarHBondContact O-N 2.93Å; Y193-V196 WeakPolarHBondContact O-CB 3.28Å; Y193-V196 PolarHBondContact O-N 2.86Å; V196-I199 PolarHBondContact O-N 3.21Å; V196-R200 WeakPolarHBondContact O-CG 2.93Å; V196-R200 PolarHBondContact O-N 3.41Å
197R95.2Very high92.3Very high99 Ų9942.9 Ų42.937%0.37421%0.209SC..Hα-helixtrans-63-42.4176.5-68.4169.4-176.5138.8-2.8112D45 Y193 T194 L195 I199 R200 K201D45-R197 IonicContact OD1-CZ 3.41Å; D45-R197 IonicContact OD1-NE 3.07Å; D45-R197 PolarHBondContact OD1-NE 3.49Å; D45-R197 IonicContact OD1-NH2 2.83Å; D45-R197 PolarHBondContact OD1-NH2 2.8Å; D45-R197 WeakPolarHBondContact OD2-CG 3.45Å; D45-R197 IonicContact OD2-CZ 2.97Å; D45-R197 IonicContact OD2-NE 3.18Å; D45-R197 PolarHBondContact OD2-NE 3.23Å; D45-R197 IonicContact OD2-NH2 3.98Å; Y193-R197 WeakPolarHBondContact O-CG 3Å; Y193-R197 PolarHBondContact O-N 2.96Å; T194-R197 WeakPolarHBondContact O-CB 3.14Å; T194-R197 PolarHBondContact O-N 3.42Å; L195-R197 VanDerWaalsContact C-N 3.28Å; L195-R197 PolarHBondContact O-N 3.07Å; R197-I199 VanDerWaalsContact C-N 3.31Å; R197-I199 PolarHBondContact O-N 3.04Å; R197-R200 PolarHBondContact O-N 2.81Å; R197-K201 WeakPolarHBondContact O-CB 3.06Å; R197-K201 PolarHBondContact O-N 3.22Å
198E92.7Very high91.5Very high48 Ų4848 Ų4822%0.22423%0.228CC..Hα-helixtrans-64.9-35175.4-72.9-57.211800112.2P146 P176 T194 L195 K201 Y202P146-E198 HydrophobicContact CB-CB 4.25Å; P176-E198 HydrophobicContact CG-CG 3.98Å; T194-E198 PolarHBondContact O-N 2.94Å; L195-E198 HydrophobicContact CD1-CB 4.5Å; L195-E198 PolarHBondContact O-N 3.38Å; L195-E198 VanDerWaalsContact O-N 3.17Å; E198-K201 PolarHBondContact O-N 3.41Å; E198-K201 IonicContact OE1-NZ 2.8Å; E198-K201 PolarHBondContact OE1-NZ 3.05Å; E198-K201 IonicContact OE2-NZ 3.19Å; E198-K201 PolarHBondContact OE2-NZ 3.4Å; E198-K201 VanDerWaalsContact OE2-NZ 3.17Å; E198-Y202 WeakPolarHBondContact O-CB 3.31Å; E198-Y202 PolarHBondContact O-N 3.45Å
199I91.9Very high90.3Very high1 Ų150.3 Ų50.31%0.00524%0.24CC..Hα-helixtrans-66.4-44.1174.3-58.4165000111.3F3 E74 P146 L195 V196 R197 Y202 K203F3-I199 HydrophobicContact CB-CD1 4.07Å; F3-I199 HydrophobicContact CD1-CB 3.89Å; F3-I199 HydrophobicContact CD1-CD1 3.31Å; F3-I199 HydrophobicContact CD1-CG1 4.17Å; F3-I199 HydrophobicContact CD1-CG2 3.66Å; F3-I199 HydrophobicContact CE1-CB 3.65Å; F3-I199 HydrophobicContact CE1-CD1 4Å; F3-I199 HydrophobicContact CE1-CG1 4.42Å; F3-I199 HydrophobicContact CE1-CG2 3.42Å; F3-I199 VanDerWaalsContact CE1-CG2 3.42Å; F3-I199 HydrophobicContact CG-CD1 3.98Å; E74-I199 HydrophobicContact CB-CD1 4.34Å; E74-I199 HydrophobicContact CB-CG2 4.1Å; E74-I199 WeakPolarHBondContact O-CG1 3.4Å; P146-I199 HydrophobicContact CB-CB 4.27Å; P146-I199 HydrophobicContact CB-CG1 3.47Å; P146-I199 VanDerWaalsContact CB-CG1 3.47Å; P146-I199 HydrophobicContact CG-CB 4.12Å; P146-I199 HydrophobicContact CG-CG1 3.75Å; P146-I199 HydrophobicContact CG-CG2 4.43Å; L195-I199 HydrophobicContact CD1-CG1 4.43Å; L195-I199 HydrophobicContact CG-CD1 4.32Å; L195-I199 VanDerWaalsContact O-CG1 3.26Å; L195-I199 WeakPolarHBondContact O-CG1 3.26Å; L195-I199 PolarHBondContact O-N 2.71Å; V196-I199 PolarHBondContact O-N 3.21Å; R197-I199 VanDerWaalsContact C-N 3.31Å; R197-I199 PolarHBondContact O-N 3.04Å; I199-Y202 PolarHBondContact O-N 2.82Å; I199-K203 HydrophobicContact CG2-CD 4.28Å; I199-K203 HydrophobicContact CG2-CG 4.48Å; I199-K203 WeakPolarHBondContact O-CG 3.42Å; I199-K203 PolarHBondContact O-N 3.09Å
200R92.4Very high89.2Confident27 Ų2752.4 Ų52.410%0.10225%0.251CS..Hα-helixtrans-57-50.6175-74.5172.6165.5156.4-1.2111.1I44 D45 E47 V196 R197 Y202 K203 E204I44-R200 PolarHBondContact O-NH1 3.4Å; I44-R200 PolarHBondContact O-NH2 3.2Å; D45-R200 IonicContact OD2-NH1 3.18Å; E47-R200 IonicContact OE2-CZ 2.62Å; E47-R200 IonicContact OE2-NE 3Å; E47-R200 PolarHBondContact OE2-NE 3.32Å; E47-R200 IonicContact OE2-NH2 3.17Å; E47-R200 PolarHBondContact OE2-NH2 2.99Å; V196-R200 WeakPolarHBondContact O-CG 2.93Å; V196-R200 PolarHBondContact O-N 3.41Å; R197-R200 PolarHBondContact O-N 2.81Å; R200-Y202 VanDerWaalsContact C-N 3.32Å; R200-Y202 PolarHBondContact O-N 2.9Å; R200-K203 PolarHBondContact O-N 3.39Å; R200-E204 WeakPolarHBondContact O-CG 3.45Å; R200-E204 PolarHBondContact O-N 3.02Å
201K91.2Very high88.3Confident93 Ų9355.5 Ų55.540%0.40426%0.26SS..Hα-helixtrans-58.1-41177.6-178.1-175.2178.3-169.20112.6R197 E198 K205R197-K201 WeakPolarHBondContact O-CB 3.06Å; R197-K201 PolarHBondContact O-N 3.22Å; E198-K201 PolarHBondContact O-N 3.41Å; E198-K201 IonicContact OE1-NZ 2.8Å; E198-K201 PolarHBondContact OE1-NZ 3.05Å; E198-K201 IonicContact OE2-NZ 3.19Å; E198-K201 PolarHBondContact OE2-NZ 3.4Å; E198-K201 VanDerWaalsContact OE2-NZ 3.17Å; K201-K205 WeakPolarHBondContact O-CG 3.45Å; K201-K205 PolarHBondContact O-N 3.45Å; K201-K205 VanDerWaalsContact O-N 3.15Å
202Y88.1Confident87.1Confident50 Ų5061.1 Ų61.120%0.19628%0.284CS..Hα-helixtrans-64.7-48.5175.3175.4-101.9000112A144 H145 P146 E198 I199 R200 E204 K205 V206A144-Y202 WeakPolarHBondContact O-CD2 3.25Å; A144-Y202 WeakPolarHBondContact O-CE2 3.13Å; H145-Y202 AromaticContact CE1-CZ 3.65Å; H145-Y202 PolarHBondContact CE1-OH 2.68Å; H145-Y202 AromaticContact ND1-CZ 3.8Å; H145-Y202 PolarHBondContact NE2-OH 3.15Å; P146-Y202 HydrophobicContact CG-CD1 4.07Å; P146-Y202 HydrophobicContact CG-CG 3.86Å; E198-Y202 WeakPolarHBondContact O-CB 3.31Å; E198-Y202 PolarHBondContact O-N 3.45Å; I199-Y202 PolarHBondContact O-N 2.82Å; R200-Y202 VanDerWaalsContact C-N 3.32Å; R200-Y202 PolarHBondContact O-N 2.9Å; Y202-E204 VanDerWaalsContact C-N 3.29Å; Y202-E204 PolarHBondContact O-N 3.38Å; Y202-K205 WeakPolarHBondContact O-CB 3.43Å; Y202-K205 PolarHBondContact O-N 3.19Å; Y202-K205 VanDerWaalsContact O-N 3.13Å; Y202-V206 HydrophobicContact CD1-CG2 4.24Å; Y202-V206 HydrophobicContact CD2-CG2 4.35Å; Y202-V206 HydrophobicContact CE1-CG2 3.77Å; Y202-V206 HydrophobicContact CE2-CG2 3.89Å; Y202-V206 WeakPolarHBondContact O-CG2 3.43Å; Y202-V206 PolarHBondContact O-N 3.49Å
203K87.1Confident85.8Confident73 Ų7367.1 Ų67.132%0.31731%0.306SS..Hα-helixtrans-58.4-40.6178.1-74.4179.9175.9178.80112.1E74 I199 R200 V206 A207E74-K203 WeakPolarHBondContact OE1-CE 3.07Å; E74-K203 IonicContact OE1-NZ 3.87Å; E74-K203 PolarHBondContact OE1-NZ 3.03Å; I199-K203 HydrophobicContact CG2-CD 4.28Å; I199-K203 HydrophobicContact CG2-CG 4.48Å; I199-K203 WeakPolarHBondContact O-CG 3.42Å; I199-K203 PolarHBondContact O-N 3.09Å; R200-K203 PolarHBondContact O-N 3.39Å; K203-V206 PolarHBondContact O-N 3.06Å; K203-A207 WeakPolarHBondContact O-CB 3.35Å; K203-A207 PolarHBondContact O-N 2.75Å
204E88.4Confident84.6Confident108 Ų10872.7 Ų72.751%0.50533%0.332SS..Hα-helixtrans-62.8-44.1175.1-74.4179.7-155.200113.1R200 Y202 A207 K208R200-E204 WeakPolarHBondContact O-CG 3.45Å; R200-E204 PolarHBondContact O-N 3.02Å; Y202-E204 VanDerWaalsContact C-N 3.29Å; Y202-E204 PolarHBondContact O-N 3.38Å; E204-A207 PolarHBondContact O-N 3.31Å; E204-K208 VanDerWaalsContact O-CG 3.32Å; E204-K208 WeakPolarHBondContact O-CG 3.02Å; E204-K208 PolarHBondContact O-N 3.44Å; E204-K208 IonicContact OE2-NZ 3.31Å
205K84.4Confident83.4Confident84 Ų8474.3 Ų74.337%0.36535%0.345SS..Hα-helixtrans-60.2-48.9176.2-74.9174.9177.1-179.50110.9K201 Y202 A207 K208 D209K201-K205 WeakPolarHBondContact O-CG 3.45Å; K201-K205 PolarHBondContact O-N 3.45Å; K201-K205 VanDerWaalsContact O-N 3.15Å; Y202-K205 WeakPolarHBondContact O-CB 3.43Å; Y202-K205 PolarHBondContact O-N 3.19Å; Y202-K205 VanDerWaalsContact O-N 3.13Å; K205-A207 VanDerWaalsContact C-N 3.3Å; K205-A207 PolarHBondContact O-N 3.2Å; K205-K208 PolarHBondContact O-N 2.73Å; K205-K208 VanDerWaalsContact O-N 3.15Å; K205-D209 PolarHBondContact O-N 3.41Å
206V80.2Confident82Confident48 Ų4882.5 Ų82.529%0.29138%0.375SS..Hα-helixtrans-58.3-42.8177.8172.60000111.2Y202 K203 D209 N210Y202-V206 HydrophobicContact CD1-CG2 4.24Å; Y202-V206 HydrophobicContact CD2-CG2 4.35Å; Y202-V206 HydrophobicContact CE1-CG2 3.77Å; Y202-V206 HydrophobicContact CE2-CG2 3.89Å; Y202-V206 WeakPolarHBondContact O-CG2 3.43Å; Y202-V206 PolarHBondContact O-N 3.49Å; K203-V206 PolarHBondContact O-N 3.06Å; V206-D209 PolarHBondContact O-N 3.21Å; V206-N210 WeakPolarHBondContact O-CB 3.39Å; V206-N210 VanDerWaalsContact O-CG 3.3Å; V206-N210 PolarHBondContact O-N 3.49Å; V206-N210 PolarHBondContact O-ND2 3.22Å
207A81.9Confident80.4Confident47 Ų4789.3 Ų89.339%0.38841%0.405SS..Hα-helixtrans-63.8-42.317700000112.5K203 E204 K205 K211K203-A207 WeakPolarHBondContact O-CB 3.35Å; K203-A207 PolarHBondContact O-N 2.75Å; E204-A207 PolarHBondContact O-N 3.31Å; K205-A207 VanDerWaalsContact C-N 3.3Å; K205-A207 PolarHBondContact O-N 3.2Å; A207-K211 WeakPolarHBondContact O-CG 3.46Å; A207-K211 PolarHBondContact O-N 3.18Å; A207-K211 VanDerWaalsContact O-N 3.09Å
208K81.2Confident79.2Confident119 Ų11987 Ų8752%0.51741%0.407SS..Hα-helixtrans-64.1-42.8176.7-73169.2-176.3167.10111.5E204 K205 K211 K212E204-K208 VanDerWaalsContact O-CG 3.32Å; E204-K208 WeakPolarHBondContact O-CG 3.02Å; E204-K208 PolarHBondContact O-N 3.44Å; E204-K208 IonicContact OE2-NZ 3.31Å; K205-K208 PolarHBondContact O-N 2.73Å; K205-K208 VanDerWaalsContact O-N 3.15Å; K208-K211 PolarHBondContact O-N 3.49Å; K208-K212 WeakPolarHBondContact O-CG 3.32Å; K208-K212 PolarHBondContact O-N 3.47Å
209D74.3Confident77.8Confident49 Ų4992.5 Ų92.526%0.26243%0.43SS..Hα-helixtrans-68.6-38.2179.6-73.1-17.8000112.4T142 K205 V206 K212 R213T142-D209 WeakPolarHBondContact CG2-OD2 3.48Å; K205-D209 PolarHBondContact O-N 3.41Å; V206-D209 PolarHBondContact O-N 3.21Å; D209-K212 PolarHBondContact O-N 3.08Å; D209-R213 WeakPolarHBondContact O-CG 3.15Å; D209-R213 PolarHBondContact O-N 2.71Å
210N73.2Confident76.3Confident79 Ų7997.9 Ų97.942%0.42246%0.459SS..Hα-helixtrans-64.4-39.1174-76.3-22.6000112.2V206 R213 K214V206-N210 WeakPolarHBondContact O-CB 3.39Å; V206-N210 VanDerWaalsContact O-CG 3.3Å; V206-N210 PolarHBondContact O-N 3.49Å; V206-N210 PolarHBondContact O-ND2 3.22Å; N210-R213 PolarHBondContact O-N 3.09Å; N210-K214 WeakPolarHBondContact O-CG 3.38Å; N210-K214 PolarHBondContact O-N 2.97Å
211K77.7Confident74.7Confident158 Ų158103 Ų10369%0.68748%0.484SS*.Hα-helixtrans-63.1-45.8173-73.4177.1-180-178.30111.6A207 K208 R213 K214 S215A207-K211 WeakPolarHBondContact O-CG 3.46Å; A207-K211 PolarHBondContact O-N 3.18Å; A207-K211 VanDerWaalsContact O-N 3.09Å; K208-K211 PolarHBondContact O-N 3.49Å; K211-R213 PolarHBondContact O-N 3.41Å; K211-K214 PolarHBondContact O-N 3.31Å; K211-S215 PolarHBondContact O-N 2.87Å
212K72.8Confident73.1Confident121 Ų121104.6 Ų104.653%0.52650%0.497SS..Hα-helixtrans-59.3-44.7175.9-72.3176.2-177.1175.10111.8K208 D209 S215 R216K208-K212 WeakPolarHBondContact O-CG 3.32Å; K208-K212 PolarHBondContact O-N 3.47Å; D209-K212 PolarHBondContact O-N 3.08Å; K212-S215 PolarHBondContact O-N 2.89Å; K212-S215 PolarHBondContact O-OG 3.06Å; K212-R216 PolarHBondContact O-N 3.18Å
213R67.8Low71.5Confident127 Ų127104.1 Ų104.148%0.47951%0.507SS..Hα-helixtrans-62.6-42.1177.3-75.1177.7175.2177.81.9112.8D209 N210 K211 R216 K217D209-R213 WeakPolarHBondContact O-CG 3.15Å; D209-R213 PolarHBondContact O-N 2.71Å; N210-R213 PolarHBondContact O-N 3.09Å; K211-R213 PolarHBondContact O-N 3.41Å; R213-R216 PolarHBondContact O-N 3.01Å; R213-K217 PolarHBondContact O-N 3.09Å
214K69.3Low69.9Low166 Ų166107 Ų10772%0.72252%0.521SS*.Hα-helixtrans-62-43174.6-74.2-177.1179-174.40111.6N210 K211 R216 K217 A218N210-K214 WeakPolarHBondContact O-CG 3.38Å; N210-K214 PolarHBondContact O-N 2.97Å; K211-K214 PolarHBondContact O-N 3.31Å; K214-R216 PolarHBondContact O-N 3.02Å; K214-K217 PolarHBondContact O-N 3Å; K214-A218 WeakPolarHBondContact O-CB 3.48Å; K214-A218 PolarHBondContact O-N 3.35Å
215S71.5Confident68.3Low64 Ų64112 Ų11245%0.44854%0.535SS..Hα-helixtrans-64.8-38.1177.572.90000113.4K211 K212 K219K211-S215 PolarHBondContact O-N 2.87Å; K212-S215 PolarHBondContact O-N 2.89Å; K212-S215 PolarHBondContact O-OG 3.06Å; S215-K219 WeakPolarHBondContact O-CG 3.42Å; S215-K219 PolarHBondContact O-N 2.96Å; S215-K219 VanDerWaalsContact O-N 3.09Å
216R66.1Low66.9Low171 Ų171111.4 Ų111.465%0.64554%0.542SS*.Hα-helixtrans-66.4-48.6174.8-73.2-178.5-178.4174.1-1111.6K212 R213 K214 A218 K219 D220K212-R216 PolarHBondContact O-N 3.18Å; R213-R216 PolarHBondContact O-N 3.01Å; K214-R216 PolarHBondContact O-N 3.02Å; R216-A218 VanDerWaalsContact C-N 3.28Å; R216-A218 PolarHBondContact O-N 2.67Å; R216-K219 PolarHBondContact O-N 3.39Å; R216-K219 VanDerWaalsContact O-N 3.1Å; R216-D220 VanDerWaalsContact O-CG 3.29Å; R216-D220 PolarHBondContact O-N 3.23Å
217K61.7Low65.7Low144 Ų144116.8 Ų116.863%0.62656%0.562SS**Hα-helixtrans-58.3-38.8175.9-79-171.6173.6-172.40112.7R213 K214 Q221R213-K217 PolarHBondContact O-N 3.09Å; K214-K217 PolarHBondContact O-N 3Å; K217-Q221 WeakPolarHBondContact O-CB 3.24Å; K217-Q221 VanDerWaalsContact O-CG 3.27Å; K217-Q221 WeakPolarHBondContact O-CG 3.3Å; K217-Q221 PolarHBondContact O-N 3.14Å
218A68.9Low64.1Low51 Ų51118.8 Ų118.842%0.42157%0.572SS.*Hα-helixtrans-65.6-41175.800000112.4K214 R216 L222K214-A218 WeakPolarHBondContact O-CB 3.48Å; K214-A218 PolarHBondContact O-N 3.35Å; R216-A218 VanDerWaalsContact C-N 3.28Å; R216-A218 PolarHBondContact O-N 2.67Å; A218-L222 PolarHBondContact O-N 3.27Å
219K63.6Low62.8Low163 Ų163117.2 Ų117.271%0.70958%0.581SS**Hα-helixtrans-65.4-43.3174.7-76.3-175.7175.4-1730112.4S215 R216 Q221 L222 G223S215-K219 WeakPolarHBondContact O-CG 3.42Å; S215-K219 PolarHBondContact O-N 2.96Å; S215-K219 VanDerWaalsContact O-N 3.09Å; R216-K219 PolarHBondContact O-N 3.39Å; R216-K219 VanDerWaalsContact O-N 3.1Å; K219-Q221 VanDerWaalsContact C-N 3.34Å; K219-Q221 PolarHBondContact O-N 3.07Å; K219-L222 PolarHBondContact O-N 3.19Å; K219-G223 PolarHBondContact O-N 3.19Å
220D60.3Low61.6Low114 Ų114122 Ų12261%0.6161%0.605SS**Hα-helixtrans-64.9-38.6179-63.8-21.9000111.3R216 G223 H224R216-D220 VanDerWaalsContact O-CG 3.29Å; R216-D220 PolarHBondContact O-N 3.23Å; D220-G223 PolarHBondContact O-N 2.83Å; D220-H224 PolarHBondContact O-N 3.19Å
221Q59Low60.3Low135 Ų135128.8 Ų128.863%0.63164%0.64SS**Hα-helixtrans-67.8-38.6174.8-73.6176.324.900112.9K217 K219 H224 R225K217-Q221 WeakPolarHBondContact O-CB 3.24Å; K217-Q221 VanDerWaalsContact O-CG 3.27Å; K217-Q221 WeakPolarHBondContact O-CG 3.3Å; K217-Q221 PolarHBondContact O-N 3.14Å; K219-Q221 VanDerWaalsContact C-N 3.34Å; K219-Q221 PolarHBondContact O-N 3.07Å; Q221-H224 PolarHBondContact O-N 3.23Å; Q221-R225 PolarHBondContact O-N 3.08Å
222L57.3Low59.4Low126 Ų126127.3 Ų127.366%0.6664%0.638SS**Hα-helixtrans-64.5-40.7173.5-114.289.7000111.9A218 K219 H224 R225 S226A218-L222 PolarHBondContact O-N 3.27Å; K219-L222 PolarHBondContact O-N 3.19Å; L222-H224 VanDerWaalsContact C-N 3.34Å; L222-R225 PolarHBondContact O-N 2.72Å; L222-S226 PolarHBondContact O-N 3.28Å; L222-S226 PolarHBondContact O-OG 3.23Å
223G55.3Low58.7Low40 Ų40127.6 Ų127.641%0.41264%0.644SS.*Hα-helixtrans-64.3-37.9176.300000112.5K219 D220 K227K219-G223 PolarHBondContact O-N 3.19Å; D220-G223 PolarHBondContact O-N 2.83Å; G223-K227 PolarHBondContact O-N 2.78Å
224H53.7Low58.2Low134 Ų134127.7 Ų127.762%0.6265%0.653SS**Hα-helixtrans-71.8-39.7177.6-152.839.1000112.3D220 Q221 L222 S226 K227 C228D220-H224 PolarHBondContact O-N 3.19Å; Q221-H224 PolarHBondContact O-N 3.23Å; L222-H224 VanDerWaalsContact C-N 3.34Å; H224-S226 PolarHBondContact O-N 3.2Å; H224-K227 PolarHBondContact O-N 2.88Å; H224-C228 PolarHBondContact O-N 3.29Å
225R54.9Low57.5Low211 Ų211125.4 Ų125.480%0.79665%0.649SS**Hα-helixtrans-63-39174.5-103.1-177.6160179.6-5.6113.1Q221 L222 K227 C228 A229Q221-R225 PolarHBondContact O-N 3.08Å; L222-R225 PolarHBondContact O-N 2.72Å; R225-K227 VanDerWaalsContact C-N 3.32Å; R225-K227 PolarHBondContact O-N 3.28Å; R225-C228 PolarHBondContact O-N 3.33Å; R225-A229 PolarHBondContact O-N 2.83Å
226S54.4Low56.7Low73 Ų73129.3 Ų129.351%0.5166%0.662SS.*Hα-helixtrans-70-29.1179.8-53.80000112.5L222 H224L222-S226 PolarHBondContact O-N 3.28Å; L222-S226 PolarHBondContact O-OG 3.23Å; H224-S226 PolarHBondContact O-N 3.2Å
227K53.9Low56Low161 Ų161126.5 Ų126.570%0.766%0.663SS**Hα-helixtrans-76.2-33.7174.8-79-171.7175.1-174.70113.5G223 H224 R225 A229G223-K227 PolarHBondContact O-N 2.78Å; H224-K227 PolarHBondContact O-N 2.88Å; R225-K227 VanDerWaalsContact C-N 3.32Å; R225-K227 PolarHBondContact O-N 3.28Å; K227-A229 VanDerWaalsContact C-N 3.32Å
228C49.6Very low55.6Low89 Ų89125.2 Ų125.260%0.60167%0.665SS**Hα-helixtrans-76.5-15.9175.4-78.90000114H224 R225 L230H224-C228 PolarHBondContact O-N 3.29Å; R225-C228 PolarHBondContact O-N 3.33Å; C228-L230 VanDerWaalsContact C-N 3.3Å
229A53.8Low54.6Low85 Ų85130.9 Ų130.970%0.70268%0.684SS**THydrogen-bonded Turntrans-85.60.9177.200000113.9R225 K227R225-A229 PolarHBondContact O-N 2.83Å; K227-A229 VanDerWaalsContact C-N 3.32Å
230L48.3Very low53.8Low150 Ų150128.3 Ų128.379%0.78568%0.682SS**THydrogen-bonded Turntrans-109.615.9-178.8-89.7160.4000113.3C228C228-L230 VanDerWaalsContact C-N 3.3Å
231L45.6Very low53.3Low221 Ų221129.5 Ų129.5100%1.15769%0.689SS**  trans-121.70174.6-68.4174000111

Retrieved 231 of 231 residues in 686.4 ms (Link to these results)

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