A0A077YX16_TRITR Loading...

riboflavin kinase

AlphaFold DB , UniProt , Accession A0A077YX16, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 176 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
1M55.2Low84.1Confident209 Ų20989.2 Ų89.2100%1.0347%0.467SS*.  0138.80-72.4173.8-148.600108.7V6M1-V6 HydrophobicContact CB-CG2 3.91Å
2N70.7Confident85.1Confident101 Ų10184.6 Ų84.654%0.5444%0.443SS..  trans-58.6138.5177-174.6-29.3000110T4 V5 V6N2-T4 PolarHBondContact O-N 3.13Å; N2-T4 VanDerWaalsContact O-N 3.12Å; N2-T4 PolarHBondContact OD1-N 3.07Å; N2-V5 HydrophobicContact CB-CG2 4.18Å; N2-V5 WeakPolarHBondContact O-CB 3.21Å; N2-V5 PolarHBondContact O-N 3.1Å; N2-V6 PolarHBondContact O-N 2.91Å
3S81.7Confident86Confident95 Ų9582.7 Ų82.766%0.66444%0.439SS*.Hα-helixtrans-55.1-33.1-175.4620000112.5V6 K7S3-V6 PolarHBondContact O-N 3.25Å; S3-K7 WeakPolarHBondContact O-CB 3.24Å; S3-K7 PolarHBondContact O-N 2.81Å
4T82Confident86.9Confident42 Ų4279 Ų7926%0.25842%0.416SS..Hα-helixtrans-68-38177.9-46.70000112.7N2 K7 A8 P51 Y110N2-T4 PolarHBondContact O-N 3.13Å; N2-T4 VanDerWaalsContact O-N 3.12Å; N2-T4 PolarHBondContact OD1-N 3.07Å; T4-K7 PolarHBondContact O-N 3.01Å; T4-A8 WeakPolarHBondContact O-CB 3.36Å; T4-A8 PolarHBondContact O-N 2.99Å; T4-P51 HydrophobicContact CG2-CB 4.05Å; T4-Y110 HydrophobicContact CG2-CE1 4.42Å; T4-Y110 HydrophobicContact CG2-CE2 4.2Å; T4-Y110 WeakPolarHBondContact CG2-OH 3.43Å
5V83.8Confident87.6Confident56 Ų5679.5 Ų79.534%0.33941%0.411SS..Hα-helixtrans-63.9-44.9178.2178.20000110N2 K7 A8 A9 Y110N2-V5 HydrophobicContact CB-CG2 4.18Å; N2-V5 WeakPolarHBondContact O-CB 3.21Å; N2-V5 PolarHBondContact O-N 3.1Å; V5-K7 VanDerWaalsContact C-N 3.33Å; V5-K7 PolarHBondContact O-N 3.14Å; V5-A8 PolarHBondContact O-N 3.04Å; V5-A9 WeakPolarHBondContact O-CB 3.23Å; V5-A9 PolarHBondContact O-N 3.27Å; V5-Y110 HydrophobicContact CB-CD1 4.5Å; V5-Y110 HydrophobicContact CG2-CD1 3.88Å; V5-Y110 HydrophobicContact CG2-CE1 3.97Å
6V86.3Confident88.1Confident67 Ų6774.9 Ų74.941%0.40639%0.388SS..Hα-helixtrans-63.6-40.5177.1178.50000110.9M1 N2 S3M1-V6 HydrophobicContact CB-CG2 3.91Å; N2-V6 PolarHBondContact O-N 2.91Å; S3-V6 PolarHBondContact O-N 3.25Å
7K89.8Confident88.6Confident97 Ų9774.2 Ų74.242%0.42239%0.388SS..Hα-helixtrans-65.5-44.4177-165.4178.3-179.4-175.90111.5S3 T4 V5 R10 F11 E49 P51S3-K7 WeakPolarHBondContact O-CB 3.24Å; S3-K7 PolarHBondContact O-N 2.81Å; T4-K7 PolarHBondContact O-N 3.01Å; V5-K7 VanDerWaalsContact C-N 3.33Å; V5-K7 PolarHBondContact O-N 3.14Å; K7-R10 WeakPolarHBondContact O-CB 3.26Å; K7-R10 PolarHBondContact O-N 3.02Å; K7-F11 HydrophobicContact CG-CE2 4.46Å; K7-F11 VanDerWaalsContact O-CD2 3.3Å; K7-F11 WeakPolarHBondContact O-CD2 3.47Å; K7-E49 WeakPolarHBondContact CE-O 3.21Å; K7-P51 HydrophobicContact CB-CG 4.16Å; K7-P51 HydrophobicContact CD-CG 4.15Å; K7-P51 HydrophobicContact CG-CG 3.93Å
8A91.9Very high89Confident0 Ų070.3 Ų70.30%037%0.368CS..Hα-helixtrans-63.4-43.517900000111.5T4 V5 R10 F11 L12 P51 Y55 Y110T4-A8 WeakPolarHBondContact O-CB 3.36Å; T4-A8 PolarHBondContact O-N 2.99Å; V5-A8 PolarHBondContact O-N 3.04Å; A8-R10 PolarHBondContact O-N 3.45Å; A8-F11 PolarHBondContact O-N 2.79Å; A8-L12 WeakPolarHBondContact O-CG 3.37Å; A8-P51 HydrophobicContact CB-CG 4.11Å; A8-Y55 HydrophobicContact CB-CE1 4.04Å; A8-Y110 HydrophobicContact CB-CD2 3.65Å; A8-Y110 HydrophobicContact CB-CE2 4.32Å; A8-Y110 HydrophobicContact CB-CG 3.76Å
9A92.1Very high89.5Confident58 Ų5871.6 Ų71.648%0.47937%0.372SS..Hα-helixtrans-56.2-27178.800000113.8V5 F11 L12V5-A9 WeakPolarHBondContact O-CB 3.23Å; V5-A9 PolarHBondContact O-N 3.27Å; A9-F11 PolarHBondContact O-N 3.33Å; A9-L12 PolarHBondContact O-N 2.86Å
10R95.3Very high89.8Confident204 Ų20468.2 Ų68.277%0.7735%0.354SS*.THydrogen-bonded Turntrans-69.1-20.2176.9-66.9178.2177.9-176.7-2.3114.1K7 A8K7-R10 WeakPolarHBondContact O-CB 3.26Å; K7-R10 PolarHBondContact O-N 3.02Å; A8-R10 PolarHBondContact O-N 3.45Å
11F96Very high90Very high52 Ų5267 Ų6723%0.22835%0.35CS..THydrogen-bonded Turntrans-99.4-1.8179.4-63.9-80.5000112.6K7 A8 A9 P13 Y14 P47 E49 F50K7-F11 HydrophobicContact CG-CE2 4.46Å; K7-F11 VanDerWaalsContact O-CD2 3.3Å; K7-F11 WeakPolarHBondContact O-CD2 3.47Å; A8-F11 PolarHBondContact O-N 2.79Å; A9-F11 PolarHBondContact O-N 3.33Å; F11-P13 CarbonylContact O-C 3.53Å; F11-Y14 WeakPolarHBondContact O-CB 3.46Å; F11-Y14 PolarHBondContact O-N 2.79Å; F11-P47 HydrophobicContact CD1-CB 4.26Å; F11-P47 HydrophobicContact CD1-CG 4Å; F11-P47 HydrophobicContact CE1-CB 3.7Å; F11-P47 HydrophobicContact CE1-CG 3.91Å; F11-P47 HydrophobicContact CZ-CB 4.49Å; F11-E49 HydrophobicContact CZ-CB 3.98Å; F11-F50 HydrophobicContact CB-CD2 3.77Å; F11-F50 HydrophobicContact CB-CE2 3.69Å; F11-F50 HydrophobicContact CD1-CD2 4.13Å; F11-F50 AromaticContact CG-CD2 3.89Å; F11-F50 HydrophobicContact CG-CD2 3.89Å; F11-F50 HydrophobicContact CG-CE2 4.33Å
12L96.4Very high91.6Very high34 Ų3465.9 Ų65.918%0.17833%0.334CS..  trans-105.1140.4-173.7-60.4172000111A8 A9 Y55 A107A8-L12 WeakPolarHBondContact O-CG 3.37Å; A9-L12 PolarHBondContact O-N 2.86Å; L12-Y55 HydrophobicContact CD1-CD1 4.39Å; L12-Y55 HydrophobicContact CD1-CE1 4.45Å; L12-Y55 HydrophobicContact CD2-CD1 4.06Å; L12-Y55 HydrophobicContact CD2-CE1 4.26Å; L12-A107 HydrophobicContact CD2-CB 3.88Å; L12-A107 VanDerWaalsContact CD2-O 3.28Å; L12-A107 WeakPolarHBondContact CD2-O 3.24Å
13P97.3Very high92.1Very high60 Ų6062.2 Ų62.239%0.3932%0.321SS..SBendcis-68.1136.9-2.830.2-36.2000112.3F11 Y15 I106 A107 L108 F164F11-P13 CarbonylContact O-C 3.53Å; P13-Y15 HydrophobicContact CB-CE2 3.9Å; P13-Y15 HydrophobicContact CG-CE2 3.86Å; P13-I106 HydrophobicContact CB-CG2 4.15Å; P13-A107 CarbonylContact C-O 3.56Å; P13-A107 VanDerWaalsContact CA-O 3.28Å; P13-A107 WeakPolarHBondContact CA-O 3.15Å; P13-L108 HydrophobicContact CB-CD2 3.82Å; P13-F164 HydrophobicContact CB-CE1 4.09Å; P13-F164 HydrophobicContact CB-CZ 4.33Å; P13-F164 HydrophobicContact CG-CE1 4.12Å; P13-F164 HydrophobicContact CG-CZ 4.26Å
14Y97.8Very high91.4Very high31 Ų3163.3 Ų63.312%0.12231%0.314CS..EExtended strand (participates in β ladder)trans-107121.8176.6-175.2-106.5000110.2F11 C16 A45 L46 F50 I106 A107F11-Y14 WeakPolarHBondContact O-CB 3.46Å; F11-Y14 PolarHBondContact O-N 2.79Å; Y14-C16 HydrophobicContact CD1-CB 4.08Å; Y14-C16 HydrophobicContact CE1-CB 3.67Å; Y14-A45 PolarHBondContact OH-O 2.97Å; Y14-L46 HydrophobicContact CD1-CD2 4.27Å; Y14-L46 HydrophobicContact CE1-CD2 3.44Å; Y14-L46 VanDerWaalsContact CE1-CD2 3.44Å; Y14-L46 HydrophobicContact CE1-CG 4.49Å; Y14-L46 HydrophobicContact CE2-CD2 4.4Å; Y14-L46 WeakPolarHBondContact OH-CA 3.38Å; Y14-F50 AromaticContact CD1-CE2 3.88Å; Y14-F50 HydrophobicContact CD1-CE2 3.88Å; Y14-F50 HydrophobicContact CD1-CZ 4.18Å; Y14-F50 HydrophobicContact CD2-CD2 4.2Å; Y14-F50 AromaticContact CD2-CE2 3.74Å; Y14-F50 HydrophobicContact CD2-CE2 3.74Å; Y14-F50 HydrophobicContact CE1-CE2 4.4Å; Y14-F50 HydrophobicContact CE2-CD2 4.38Å; Y14-F50 HydrophobicContact CE2-CE2 4.29Å; Y14-F50 HydrophobicContact CG-CD2 4.38Å; Y14-F50 AromaticContact CG-CE2 3.52Å; Y14-F50 HydrophobicContact CG-CE2 3.52Å; Y14-F50 HydrophobicContact CG-CZ 4.16Å; Y14-I106 CarbonylContact O-C 3.57Å; Y14-I106 WeakPolarHBondContact O-CA 3.3Å; Y14-A107 PolarHBondContact N-O 3.1Å; Y14-A107 PolarHBondContact O-N 2.85Å
15Y97.4Very high90.2Very high87 Ų8764.8 Ų64.834%0.34134%0.337SS..EExtended strand (participates in β ladder)trans-98.6125.9179.5-65.4-102.4000109.2P13 V105 I106 D167 F169P13-Y15 HydrophobicContact CB-CE2 3.9Å; P13-Y15 HydrophobicContact CG-CE2 3.86Å; Y15-V105 WeakPolarHBondContact CA-O 3.43Å; Y15-I106 HydrophobicContact CD1-CD1 3.97Å; Y15-I106 HydrophobicContact CD1-CG1 3.68Å; Y15-I106 HydrophobicContact CD1-CG2 4.32Å; Y15-I106 HydrophobicContact CE1-CD1 3.48Å; Y15-I106 VanDerWaalsContact CE1-CD1 3.48Å; Y15-I106 HydrophobicContact CE1-CG1 3.71Å; Y15-I106 HydrophobicContact CE1-CG2 4.06Å; Y15-I106 HydrophobicContact CE2-CG2 4.43Å; Y15-D167 PolarHBondContact OH-OD2 2.89Å; Y15-F169 HydrophobicContact CD1-CB 3.8Å; Y15-F169 AromaticContact CD1-CD1 3.62Å; Y15-F169 HydrophobicContact CD1-CD1 3.62Å; Y15-F169 AromaticContact CD1-CD2 3.88Å; Y15-F169 HydrophobicContact CD1-CD2 3.88Å; Y15-F169 HydrophobicContact CD1-CE1 4.06Å; Y15-F169 HydrophobicContact CD1-CE2 4.34Å; Y15-F169 AromaticContact CD1-CG 3.49Å; Y15-F169 HydrophobicContact CD1-CG 3.49Å; Y15-F169 VanDerWaalsContact CD1-CG 3.49Å; Y15-F169 HydrophobicContact CD1-CZ 4.42Å; Y15-F169 HydrophobicContact CE1-CB 3.81Å; Y15-F169 HydrophobicContact CE1-CD1 4.27Å; Y15-F169 HydrophobicContact CE1-CG 4.04Å
16C95.7Very high88.9Confident5 Ų567 Ų673%0.03434%0.339CS..EExtended strand (participates in β ladder)trans-135.1140.1-177.3-1740000110.1Y14 R104 V105 F169Y14-C16 HydrophobicContact CD1-CB 4.08Å; Y14-C16 HydrophobicContact CE1-CB 3.67Å; C16-R104 CarbonylContact O-C 3.6Å; C16-R104 WeakPolarHBondContact O-CA 3.39Å; C16-V105 HydrophobicContact CB-CB 4.25Å; C16-V105 PolarHBondContact N-O 2.87Å; C16-V105 PolarHBondContact O-N 3.29Å; C16-F169 WeakPolarHBondContact O-CZ 3.43Å
17T96.6Very high87.4Confident64 Ų6464.6 Ų64.639%0.39333%0.328SS..EExtended strand (participates in β ladder)trans-129.2136.2171.5-162.50000108.5A42 Q102 L103T17-A42 WeakPolarHBondContact O-CB 3.28Å; T17-Q102 PolarHBondContact OG1-NE2 3.36Å; T17-L103 WeakPolarHBondContact CA-O 3.39Å
18G96.7Very high86.1Confident3 Ų361.2 Ų61.23%0.03132%0.317CS..EExtended strand (participates in β ladder)trans-160.4150.5176.700000113Q102 L103G18-Q102 VanDerWaalsContact CA-NE2 3.34Å; G18-Q102 PolarHBondContact O-NE2 3.44Å; G18-L103 PolarHBondContact N-O 2.93Å; G18-L103 PolarHBondContact O-N 2.84Å
19E97.4Very high84.6Confident95 Ų9567.3 Ų67.344%0.44434%0.34SS..EExtended strand (participates in β ladder)trans-69.4139.1170.4-169.8-172.2128.100109.8V21 S39 A101E19-V21 PolarHBondContact O-N 3.16Å; E19-S39 PolarHBondContact O-N 3.49Å; E19-A101 WeakPolarHBondContact CA-O 3.34Å
20V96.3Very high83Confident3 Ų373.3 Ų73.32%0.01836%0.358CS..EExtended strand (participates in β ladder)trans-78.6108.4175.1179.40000110.1A36 N37 F98 Y99 G100 A101 L103V20-A36 HydrophobicContact CG1-CB 3.8Å; V20-A36 HydrophobicContact CG2-CB 4.13Å; V20-N37 CarbonylContact C-O 3.48Å; V20-N37 WeakPolarHBondContact CA-O 3.36Å; V20-F98 HydrophobicContact CB-CD2 4.32Å; V20-F98 HydrophobicContact CG1-CD2 4.16Å; V20-F98 HydrophobicContact CG1-CE2 4.19Å; V20-F98 HydrophobicContact CG2-CD2 3.93Å; V20-F98 HydrophobicContact CG2-CE2 3.99Å; V20-Y99 HydrophobicContact CG1-CD1 4.09Å; V20-Y99 WeakPolarHBondContact O-CA 3.48Å; V20-G100 PolarHBondContact O-N 3.09Å; V20-A101 PolarHBondContact N-O 3.01Å; V20-L103 HydrophobicContact CG2-CB 3.76Å
21V94.2Very high81.6Confident45 Ų4564.9 Ų64.927%0.27333%0.328SS..EExtended strand (participates in β ladder)trans-102.9161-178.4-60.20000111.9E19 G23 N37 Y99E19-V21 PolarHBondContact O-N 3.16Å; V21-G23 PolarHBondContact O-N 2.96Å; V21-N37 HydrophobicContact CG2-CB 4.12Å; V21-N37 PolarHBondContact N-O 3.16Å; V21-Y99 WeakPolarHBondContact O-CE1 3.37Å
22R89.1Confident80.4Confident184 Ų18465.2 Ų65.269%0.69435%0.346SS*.  trans-72.6117171.7-66-178.2-175.3-83.4-1109.1Y99R22-Y99 HydrophobicContact CB-CE1 4.28Å; R22-Y99 HydrophobicContact CG-CD1 3.7Å; R22-Y99 HydrophobicContact CG-CD2 4.31Å; R22-Y99 HydrophobicContact CG-CE1 3.71Å; R22-Y99 HydrophobicContact CG-CE2 4.29Å; R22-Y99 HydrophobicContact CG-CG 4.02Å; R22-Y99 VanDerWaalsContact NH1-CE2 3.32Å
23G79.9Confident79.3Confident24 Ų2464.3 Ų64.325%0.24734%0.343CS..  trans-73.1-171165.600000111.9V21 G25V21-G23 PolarHBondContact O-N 2.96Å; G23-G25 PolarHBondContact O-N 2.81Å
24F67Low78.7Confident119 Ų11964.4 Ų64.452%0.52234%0.343SS..  trans-71.915.3-178.2-64.5-79.6000115.1R26F24-R26 VanDerWaalsContact C-N 3.31Å; F24-R26 HydrophobicContact CB-CG 4.09Å; F24-R26 WeakPolarHBondContact O-CG 3.4Å; F24-R26 PolarHBondContact O-N 2.99Å
25G57.2Low78.3Confident72 Ų7264.6 Ų64.674%0.74235%0.348SS*.  trans65.825.5170.300000115.1G23 G27G23-G25 PolarHBondContact O-N 2.81Å; G25-G27 PolarHBondContact O-N 3.04Å
26R57.2Low78Confident102 Ų10260.8 Ų60.839%0.38533%0.334SS..  trans-101.690.8-169.3-41.9-169.9174.2174.3-0.2112.6F24 S28 I129F24-R26 VanDerWaalsContact C-N 3.31Å; F24-R26 HydrophobicContact CB-CG 4.09Å; F24-R26 WeakPolarHBondContact O-CG 3.4Å; F24-R26 PolarHBondContact O-N 2.99Å; R26-S28 PolarHBondContact O-N 3.3Å; R26-S28 VanDerWaalsContact O-N 3.08Å; R26-I129 WeakPolarHBondContact CB-O 3.29Å; R26-I129 WeakPolarHBondContact CD-O 3.48Å
27G54.5Low77.9Confident18 Ų1862 Ų6219%0.18634%0.34CS..SBendtrans80.9-21.2152.900000119.4G25 R29 Q30 L31G25-G27 PolarHBondContact O-N 3.04Å; G27-R29 VanDerWaalsContact C-N 3.27Å; G27-R29 PolarHBondContact O-N 3.25Å; G27-R29 VanDerWaalsContact O-N 3.1Å; G27-Q30 PolarHBondContact O-N 3.18Å; G27-L31 PolarHBondContact O-N 3.45Å
28S61.4Low77.8Confident26 Ų2659.2 Ų59.218%0.18232%0.323CS..THydrogen-bonded Turntrans-57.5-35.1-170.260.20000114.5R26 L31 C33R26-S28 PolarHBondContact O-N 3.3Å; R26-S28 VanDerWaalsContact O-N 3.08Å; S28-L31 PolarHBondContact O-N 2.85Å; S28-C33 WeakPolarHBondContact CB-O 3.45Å; S28-C33 CarbonylContact O-C 3.53Å; S28-C33 PolarHBondContact O-N 2.67Å; S28-C33 VanDerWaalsContact O-N 3.15Å
29R60.3Low77.7Confident128 Ų12860 Ų6048%0.48333%0.328SS..THydrogen-bonded Turntrans-66.4-38.7173.5-68.4-171.2-166.9179.78113.9G27 L31 G32 P34 D97 Y99G27-R29 VanDerWaalsContact C-N 3.27Å; G27-R29 PolarHBondContact O-N 3.25Å; G27-R29 VanDerWaalsContact O-N 3.1Å; R29-L31 PolarHBondContact O-N 3.35Å; R29-G32 PolarHBondContact O-N 2.94Å; R29-G32 VanDerWaalsContact O-N 3.1Å; R29-P34 HydrophobicContact CG-CB 4.33Å; R29-D97 IonicContact CZ-OD1 2.79Å; R29-D97 IonicContact CZ-OD2 2.69Å; R29-D97 IonicContact NE-OD1 2.65Å; R29-D97 IonicContact NH1-OD1 3.83Å; R29-D97 PolarHBondContact NH1-OD1 3.32Å; R29-D97 IonicContact NH1-OD2 3.07Å; R29-D97 PolarHBondContact NH1-OD2 3.35Å; R29-D97 IonicContact NH2-OD1 3.28Å; R29-D97 PolarHBondContact NH2-OD1 2.94Å; R29-D97 IonicContact NH2-OD2 2.83Å; R29-D97 PolarHBondContact NH2-OD2 2.82Å; R29-Y99 PolarHBondContact NH2-OH 3.07Å
30Q60.1Low77.5Confident183 Ų18359.1 Ų59.186%0.85533%0.326SS*.THydrogen-bonded Turntrans-68.4-20.1178.7-70.6177.6-12.100112G27G27-Q30 PolarHBondContact O-N 3.18Å
31L64.7Low77.3Confident27 Ų2765 Ų6514%0.14136%0.357CS..THydrogen-bonded Turntrans-90.11.8174.5-51.3-175.5000113.8G27 S28 R29 C33 I129 L138 L141 I142G27-L31 PolarHBondContact O-N 3.45Å; S28-L31 PolarHBondContact O-N 2.85Å; R29-L31 PolarHBondContact O-N 3.35Å; L31-C33 PolarHBondContact O-N 2.83Å; L31-I129 HydrophobicContact CD1-CD1 3.27Å; L31-I129 HydrophobicContact CD1-CG1 4.01Å; L31-I129 HydrophobicContact CG-CD1 4.35Å; L31-L138 HydrophobicContact CD1-CD1 3.77Å; L31-L138 HydrophobicContact CD2-CD1 3.43Å; L31-L138 VanDerWaalsContact CD2-CD1 3.43Å; L31-L138 HydrophobicContact CD2-CD2 3.7Å; L31-L138 HydrophobicContact CD2-CG 3.67Å; L31-L138 HydrophobicContact CG-CD1 4.24Å; L31-L141 HydrophobicContact CD1-CD2 4.26Å; L31-I142 HydrophobicContact CB-CG1 4.31Å; L31-I142 HydrophobicContact CD1-CG1 4.35Å; L31-I142 HydrophobicContact CD2-CD1 3.93Å; L31-I142 HydrophobicContact CD2-CG1 4.19Å
32G71.1Confident77.4Confident59 Ų5963 Ų6361%0.60835%0.345SS*.THydrogen-bonded Turntrans68.612.1-175.600000114.5R29 P34R29-G32 PolarHBondContact O-N 2.94Å; R29-G32 VanDerWaalsContact O-N 3.1Å; G32-P34 VanDerWaalsContact C-CD 3.47Å; G32-P34 WeakPolarHBondContact O-CD 3.42Å
33C74.5Confident77.5Confident16 Ų1654.9 Ų54.911%0.10832%0.317CS..  trans-124.667.2-178-62.70000110.3S28 L31 T35 I145S28-C33 WeakPolarHBondContact CB-O 3.45Å; S28-C33 CarbonylContact O-C 3.53Å; S28-C33 PolarHBondContact O-N 2.67Å; S28-C33 VanDerWaalsContact O-N 3.15Å; L31-C33 PolarHBondContact O-N 2.83Å; C33-T35 PolarHBondContact O-N 3.32Å; C33-I145 HydrophobicContact CB-CG2 4.2Å
34P83.9Confident78.1Confident61 Ų6159.1 Ų59.140%0.39633%0.33SS..  trans-62.1127.5-17725.6-35.5000112.1R29 G32 H89R29-P34 HydrophobicContact CG-CB 4.33Å; G32-P34 VanDerWaalsContact C-CD 3.47Å; G32-P34 WeakPolarHBondContact O-CD 3.42Å; P34-H89 PolarHBondContact O-ND1 2.86Å
35T88.6Confident79.4Confident36 Ų3656.7 Ų56.722%0.22133%0.332CS..  trans-105.2132.5176.753.70000111.9C33 E87 V88 H89C33-T35 PolarHBondContact O-N 3.32Å; T35-E87 HydrophobicContact CG2-CB 4.48Å; T35-E87 PolarHBondContact OG1-OE2 2.82Å; T35-E87 VanDerWaalsContact OG1-OE2 3.1Å; T35-V88 CarbonylContact C-O 3.44Å; T35-V88 WeakPolarHBondContact CA-O 3.3Å; T35-H89 HydrophobicContact CG2-CB 4.24Å
36A92.6Very high81.1Confident6 Ų653.9 Ų53.95%0.0530%0.3CS..EExtended strand (participates in β ladder)trans-84.5121.2167.100000108.9V20 E87 V88 F98 L103V20-A36 HydrophobicContact CG1-CB 3.8Å; V20-A36 HydrophobicContact CG2-CB 4.13Å; A36-E87 CarbonylContact O-C 3.53Å; A36-E87 WeakPolarHBondContact O-CA 3.43Å; A36-V88 PolarHBondContact N-O 2.74Å; A36-V88 PolarHBondContact O-N 2.89Å; A36-F98 HydrophobicContact CB-CE2 3.94Å; A36-F98 HydrophobicContact CB-CZ 4.36Å; A36-L103 HydrophobicContact CB-CD2 4.33Å
37N93.7Very high82.9Confident30 Ų3051.1 Ų51.116%0.1630%0.295CS..EExtended strand (participates in β ladder)trans-88.4132175.5-67.6-109.3000107.7V20 V21V20-N37 CarbonylContact C-O 3.48Å; V20-N37 WeakPolarHBondContact CA-O 3.36Å; V21-N37 HydrophobicContact CG2-CB 4.12Å; V21-N37 PolarHBondContact N-O 3.16Å
38L94.4Very high84.5Confident7 Ų757.9 Ų57.94%0.03732%0.322CS..EExtended strand (participates in β ladder)trans-86.3145.3174.2-62.3-172.5000111.4A42 I86 L103L38-A42 HydrophobicContact CB-CB 3.87Å; L38-A42 HydrophobicContact CD1-CB 4.12Å; L38-I86 HydrophobicContact CB-CB 4.19Å; L38-I86 HydrophobicContact CD1-CB 4.17Å; L38-I86 HydrophobicContact CD1-CD1 4.23Å; L38-I86 HydrophobicContact CD1-CG2 3.72Å; L38-I86 HydrophobicContact CG-CB 4.31Å; L38-I86 HydrophobicContact CG-CG2 4.09Å; L38-I86 PolarHBondContact N-O 3.45Å; L38-L103 HydrophobicContact CD2-CB 3.87Å; L38-L103 HydrophobicContact CD2-CD2 3.74Å; L38-L103 HydrophobicContact CD2-CG 4.37Å
39S94.6Very high86Confident18 Ų1861.6 Ų61.613%0.12634%0.336CS..PPolyproline II helixtrans-52.3155.3175.163.40000113.5E19 N41 A42 V43E19-S39 PolarHBondContact O-N 3.49Å; S39-N41 PolarHBondContact O-N 2.79Å; S39-N41 VanDerWaalsContact O-N 3.16Å; S39-A42 WeakPolarHBondContact O-CB 3.13Å; S39-A42 PolarHBondContact O-N 3.16Å; S39-V43 PolarHBondContact O-N 2.96Å
40D92Very high87.6Confident78 Ų7855.6 Ų55.642%0.41731%0.314SS..Hα-helixtrans-53.1-36.5176.2-8018.1000113A42 V43 E44 R83D40-A42 VanDerWaalsContact C-N 3.28Å; D40-A42 PolarHBondContact O-N 2.8Å; D40-V43 CarbonylContact O-C 3.59Å; D40-V43 WeakPolarHBondContact O-CA 3.37Å; D40-V43 WeakPolarHBondContact O-CB 3.48Å; D40-V43 PolarHBondContact O-N 2.99Å; D40-E44 WeakPolarHBondContact O-CB 3.39Å; D40-E44 WeakPolarHBondContact O-CG 3.47Å; D40-E44 PolarHBondContact O-N 3.16Å; D40-R83 IonicContact OD2-NH1 2.99Å; D40-R83 PolarHBondContact OD2-NH1 3.04Å
41N93.6Very high89.2Confident125 Ų12547.4 Ų47.467%0.66828%0.277SS*.Hα-helixtrans-57.5-39.8176.5-68.4-14.8000112.7S39 V43 A45S39-N41 PolarHBondContact O-N 2.79Å; S39-N41 VanDerWaalsContact O-N 3.16Å; N41-V43 VanDerWaalsContact C-N 3.32Å; N41-A45 PolarHBondContact O-N 3.03Å; N41-A45 VanDerWaalsContact O-N 3.16Å
42A94.6Very high90.5Very high3 Ų347.6 Ų47.63%0.02528%0.28CS..Hα-helixtrans-71.1-32.5177.800000111.8T17 L38 S39 D40T17-A42 WeakPolarHBondContact O-CB 3.28Å; L38-A42 HydrophobicContact CB-CB 3.87Å; L38-A42 HydrophobicContact CD1-CB 4.12Å; S39-A42 WeakPolarHBondContact O-CB 3.13Å; S39-A42 PolarHBondContact O-N 3.16Å; D40-A42 VanDerWaalsContact C-N 3.28Å; D40-A42 PolarHBondContact O-N 2.8Å
43V92.3Very high91.6Very high15 Ų1544.8 Ų44.89%0.09125%0.251CS..Hα-helixtrans-71.5-44.2175.81790000110.8S39 D40 N41 A45 L46 K84 I86S39-V43 PolarHBondContact O-N 2.96Å; D40-V43 CarbonylContact O-C 3.59Å; D40-V43 WeakPolarHBondContact O-CA 3.37Å; D40-V43 WeakPolarHBondContact O-CB 3.48Å; D40-V43 PolarHBondContact O-N 2.99Å; N41-V43 VanDerWaalsContact C-N 3.32Å; V43-A45 PolarHBondContact O-N 3.33Å; V43-L46 VanDerWaalsContact O-CB 3.29Å; V43-L46 WeakPolarHBondContact O-CB 3.4Å; V43-L46 PolarHBondContact O-N 3.28Å; V43-K84 VanDerWaalsContact CG1-C 3.5Å; V43-K84 HydrophobicContact CG1-CB 3.79Å; V43-K84 WeakPolarHBondContact CG1-O 3.43Å; V43-I86 HydrophobicContact CG2-CD1 4.31Å; V43-I86 HydrophobicContact CG2-CG1 4.17Å
44E92.4Very high92.6Very high112 Ų11244.3 Ų44.352%0.52325%0.247SC..Hα-helixtrans-66.1-24.3178.9-71.6177.5179.800112.1D40 L46 R83D40-E44 WeakPolarHBondContact O-CB 3.39Å; D40-E44 WeakPolarHBondContact O-CG 3.47Å; D40-E44 PolarHBondContact O-N 3.16Å; E44-L46 VanDerWaalsContact C-N 3.31Å; E44-R83 IonicContact OE1-CZ 3.22Å; E44-R83 IonicContact OE1-NH1 2.8Å; E44-R83 PolarHBondContact OE1-NH1 2.98Å; E44-R83 IonicContact OE1-NH2 2.96Å; E44-R83 PolarHBondContact OE1-NH2 2.82Å
45A94.6Very high93.3Very high68 Ų6841.4 Ų41.456%0.56223%0.229SC*.THydrogen-bonded Turntrans-74.7-14.617200000114.1Y14 N41 V43Y14-A45 PolarHBondContact OH-O 2.97Å; N41-A45 PolarHBondContact O-N 3.03Å; N41-A45 VanDerWaalsContact O-N 3.16Å; V43-A45 PolarHBondContact O-N 3.33Å
46L93.2Very high93.7Very high14 Ų1441 Ų417%0.07322%0.223CC..SBendtrans-67.2136.1174.1-76.4167.2000110.5Y14 V43 E44 E48 F50 V73 K84 I86Y14-L46 HydrophobicContact CD1-CD2 4.27Å; Y14-L46 HydrophobicContact CE1-CD2 3.44Å; Y14-L46 VanDerWaalsContact CE1-CD2 3.44Å; Y14-L46 HydrophobicContact CE1-CG 4.49Å; Y14-L46 HydrophobicContact CE2-CD2 4.4Å; Y14-L46 WeakPolarHBondContact OH-CA 3.38Å; V43-L46 VanDerWaalsContact O-CB 3.29Å; V43-L46 WeakPolarHBondContact O-CB 3.4Å; V43-L46 PolarHBondContact O-N 3.28Å; E44-L46 VanDerWaalsContact C-N 3.31Å; L46-E48 PolarHBondContact O-N 2.93Å; L46-F50 HydrophobicContact CB-CB 4.48Å; L46-F50 HydrophobicContact CD2-CB 4.21Å; L46-F50 HydrophobicContact CD2-CD1 3.88Å; L46-F50 HydrophobicContact CD2-CD2 3.87Å; L46-F50 HydrophobicContact CD2-CE1 4.2Å; L46-F50 HydrophobicContact CD2-CE2 4.2Å; L46-F50 HydrophobicContact CD2-CG 3.7Å; L46-F50 HydrophobicContact CD2-CZ 4.36Å; L46-V73 HydrophobicContact CD1-CG1 3.99Å; L46-K84 HydrophobicContact CD1-CB 4.47Å; L46-K84 HydrophobicContact CD1-CD 4.23Å; L46-I86 HydrophobicContact CD1-CD1 3.54Å; L46-I86 HydrophobicContact CD1-CG1 3.6Å; L46-I86 HydrophobicContact CD2-CD1 4.39Å; L46-I86 HydrophobicContact CG-CD1 3.89Å; L46-I86 HydrophobicContact CG-CG1 4.47Å
47P93.2Very high94Very high44 Ų4440.7 Ų40.729%0.28622%0.221SC..  trans-53.1139.3165.4-25.233.9000111.1F11 E49 F50 K84F11-P47 HydrophobicContact CD1-CB 4.26Å; F11-P47 HydrophobicContact CD1-CG 4Å; F11-P47 HydrophobicContact CE1-CB 3.7Å; F11-P47 HydrophobicContact CE1-CG 3.91Å; F11-P47 HydrophobicContact CZ-CB 4.49Å; P47-E49 PolarHBondContact O-N 3.23Å; P47-E49 VanDerWaalsContact O-N 3.15Å; P47-F50 HydrophobicContact CB-CB 4.31Å; P47-F50 WeakPolarHBondContact O-CB 3.29Å; P47-F50 PolarHBondContact O-N 3.44Å; P47-K84 PolarHBondContact O-NZ 2.73Å
48E89.5Confident94.2Very high160 Ų16039.3 Ų39.375%0.74821%0.213SC*.THydrogen-bonded Turntrans-56.3-35.5179.9-172-179.6163.300111L46 F50 K84L46-E48 PolarHBondContact O-N 2.93Å; E48-F50 VanDerWaalsContact C-N 3.33Å; E48-F50 PolarHBondContact O-N 3.34Å; E48-K84 PolarHBondContact O-NZ 3.05Å
49E91.5Very high94.4Very high104 Ų10439 Ų3949%0.48621%0.211SC..THydrogen-bonded Turntrans-84.2-3.7-179.9-55.775.7-167.700114.1K7 F11 P47 P51K7-E49 WeakPolarHBondContact CE-O 3.21Å; F11-E49 HydrophobicContact CZ-CB 3.98Å; P47-E49 PolarHBondContact O-N 3.23Å; P47-E49 VanDerWaalsContact O-N 3.15Å; E49-P51 VanDerWaalsContact O-CD 3.29Å; E49-P51 WeakPolarHBondContact O-CD 3.05Å; E49-P51 VanDerWaalsContact O-N 3.13Å
50F94Very high94.5Very high1 Ų138.1 Ų38.10%0.00421%0.206CC..PPolyproline II helixtrans-56116.5178-167.2-79.3000109.4F11 Y14 L46 P47 E48 C52 Y55 M71 V73 K84F11-F50 HydrophobicContact CB-CD2 3.77Å; F11-F50 HydrophobicContact CB-CE2 3.69Å; F11-F50 HydrophobicContact CD1-CD2 4.13Å; F11-F50 AromaticContact CG-CD2 3.89Å; F11-F50 HydrophobicContact CG-CD2 3.89Å; F11-F50 HydrophobicContact CG-CE2 4.33Å; Y14-F50 AromaticContact CD1-CE2 3.88Å; Y14-F50 HydrophobicContact CD1-CE2 3.88Å; Y14-F50 HydrophobicContact CD1-CZ 4.18Å; Y14-F50 HydrophobicContact CD2-CD2 4.2Å; Y14-F50 AromaticContact CD2-CE2 3.74Å; Y14-F50 HydrophobicContact CD2-CE2 3.74Å; Y14-F50 HydrophobicContact CE1-CE2 4.4Å; Y14-F50 HydrophobicContact CE2-CD2 4.38Å; Y14-F50 HydrophobicContact CE2-CE2 4.29Å; Y14-F50 HydrophobicContact CG-CD2 4.38Å; Y14-F50 AromaticContact CG-CE2 3.52Å; Y14-F50 HydrophobicContact CG-CE2 3.52Å; Y14-F50 HydrophobicContact CG-CZ 4.16Å; L46-F50 HydrophobicContact CB-CB 4.48Å; L46-F50 HydrophobicContact CD2-CB 4.21Å; L46-F50 HydrophobicContact CD2-CD1 3.88Å; L46-F50 HydrophobicContact CD2-CD2 3.87Å; L46-F50 HydrophobicContact CD2-CE1 4.2Å; L46-F50 HydrophobicContact CD2-CE2 4.2Å; L46-F50 HydrophobicContact CD2-CG 3.7Å; L46-F50 HydrophobicContact CD2-CZ 4.36Å; P47-F50 HydrophobicContact CB-CB 4.31Å; P47-F50 WeakPolarHBondContact O-CB 3.29Å; P47-F50 PolarHBondContact O-N 3.44Å; E48-F50 VanDerWaalsContact C-N 3.33Å; E48-F50 PolarHBondContact O-N 3.34Å; F50-C52 PolarHBondContact O-N 3.05Å; F50-Y55 HydrophobicContact CE1-CD2 4.41Å; F50-Y55 AromaticContact CE1-CE1 3.99Å; F50-Y55 HydrophobicContact CE1-CE1 3.99Å; F50-Y55 AromaticContact CE1-CE2 3.66Å; F50-Y55 HydrophobicContact CE1-CE2 3.66Å; F50-Y55 AromaticContact CE1-CZ 3.4Å; F50-Y55 VanDerWaalsContact CE1-CZ 3.4Å; F50-Y55 WeakPolarHBondContact CE1-OH 3.14Å; F50-Y55 AromaticContact CZ-CE1 3.96Å; F50-Y55 HydrophobicContact CZ-CE1 3.96Å; F50-Y55 HydrophobicContact CZ-CE2 4.37Å; F50-Y55 AromaticContact CZ-CZ 3.87Å; F50-M71 HydrophobicContact CZ-CE 4.46Å; F50-V73 HydrophobicContact CD1-CG1 4.22Å; F50-V73 HydrophobicContact CD1-CG2 4.34Å; F50-V73 HydrophobicContact CE1-CB 4.46Å; F50-V73 HydrophobicContact CE1-CG2 3.89Å; F50-K84 PolarHBondContact O-NZ 2.72Å
51P93.9Very high94.8Very high12 Ų1234.9 Ų34.98%0.07819%0.188CC..PPolyproline II helixtrans-66.2138-168.6-24.135.3000113T4 K7 A8 E49 Y55T4-P51 HydrophobicContact CG2-CB 4.05Å; K7-P51 HydrophobicContact CB-CG 4.16Å; K7-P51 HydrophobicContact CD-CG 4.15Å; K7-P51 HydrophobicContact CG-CG 3.93Å; A8-P51 HydrophobicContact CB-CG 4.11Å; E49-P51 VanDerWaalsContact O-CD 3.29Å; E49-P51 WeakPolarHBondContact O-CD 3.05Å; E49-P51 VanDerWaalsContact O-N 3.13Å; P51-Y55 WeakPolarHBondContact O-CE2 3.11Å; P51-Y55 PolarHBondContact O-OH 2.82Å
52C92.9Very high94.8Very high30 Ų3032.7 Ų32.720%0.20318%0.177CC..PPolyproline II helixtrans-67.6137.5167.7-60.20000110F50 V73 W75 M114F50-C52 PolarHBondContact O-N 3.05Å; C52-V73 CarbonylContact C-O 3.57Å; C52-V73 WeakPolarHBondContact CA-O 3.01Å; C52-V73 VanDerWaalsContact CB-O 3.24Å; C52-V73 WeakPolarHBondContact CB-O 3.23Å; C52-W75 PolarHBondContact SG-NE1 3.38Å; C52-W75 VanDerWaalsContact SG-NE1 3.41Å; C52-M114 HydrophobicContact CB-CG 3.85Å
53G94.2Very high94.8Very high0 Ų034.5 Ų34.50%020%0.196CC..EExtended strand (participates in β ladder)trans162.9-171.2-179.300000112.5S72 V73 R112G53-S72 WeakPolarHBondContact O-CA 3.37Å; G53-V73 PolarHBondContact N-O 2.99Å; G53-V73 PolarHBondContact O-N 3.5Å; G53-R112 CarbonylContact C-O 3.55Å; G53-R112 VanDerWaalsContact CA-O 3.31Å; G53-R112 WeakPolarHBondContact CA-O 3.45Å
54V95.6Very high94.9Very high7 Ų738.9 Ų38.94%0.04222%0.219CC..EExtended strand (participates in β ladder)trans-105.7132.1175.8-170.80000108.9M71 L111 R112 D148V54-M71 CarbonylContact C-O 3.56Å; V54-M71 WeakPolarHBondContact CA-O 3.22Å; V54-L111 HydrophobicContact CB-CB 4.45Å; V54-L111 HydrophobicContact CG1-CD1 4.03Å; V54-L111 PolarHBondContact O-N 2.96Å; V54-R112 HydrophobicContact CB-CG 4.1Å; V54-R112 HydrophobicContact CG2-CG 4.14Å; V54-R112 PolarHBondContact N-O 3.02Å; V54-D148 HydrophobicContact CG1-CB 4.39Å
55Y97.8Very high95Very high0 Ų036.2 Ų36.20%022%0.215CC..EExtended strand (participates in β ladder)trans-122.4161.9-177.6-63.6-99.3000109.5A8 L12 F50 P51 V70 M71 V73 G109 Y110A8-Y55 HydrophobicContact CB-CE1 4.04Å; L12-Y55 HydrophobicContact CD1-CD1 4.39Å; L12-Y55 HydrophobicContact CD1-CE1 4.45Å; L12-Y55 HydrophobicContact CD2-CD1 4.06Å; L12-Y55 HydrophobicContact CD2-CE1 4.26Å; F50-Y55 HydrophobicContact CE1-CD2 4.41Å; F50-Y55 AromaticContact CE1-CE1 3.99Å; F50-Y55 HydrophobicContact CE1-CE1 3.99Å; F50-Y55 AromaticContact CE1-CE2 3.66Å; F50-Y55 HydrophobicContact CE1-CE2 3.66Å; F50-Y55 AromaticContact CE1-CZ 3.4Å; F50-Y55 VanDerWaalsContact CE1-CZ 3.4Å; F50-Y55 WeakPolarHBondContact CE1-OH 3.14Å; F50-Y55 AromaticContact CZ-CE1 3.96Å; F50-Y55 HydrophobicContact CZ-CE1 3.96Å; F50-Y55 HydrophobicContact CZ-CE2 4.37Å; F50-Y55 AromaticContact CZ-CZ 3.87Å; P51-Y55 WeakPolarHBondContact O-CE2 3.11Å; P51-Y55 PolarHBondContact O-OH 2.82Å; Y55-V70 CarbonylContact O-C 3.37Å; Y55-V70 WeakPolarHBondContact O-CA 3.21Å; Y55-M71 HydrophobicContact CD2-CE 4.12Å; Y55-M71 HydrophobicContact CG-CE 4.09Å; Y55-M71 PolarHBondContact N-O 3.26Å; Y55-M71 PolarHBondContact O-N 2.99Å; Y55-V73 HydrophobicContact CD2-CG2 4.29Å; Y55-V73 HydrophobicContact CE2-CB 4.32Å; Y55-V73 HydrophobicContact CE2-CG2 4.17Å; Y55-G109 CarbonylContact C-O 3.32Å; Y55-G109 WeakPolarHBondContact CA-O 3.49Å; Y55-G109 WeakPolarHBondContact CB-O 3.46Å; Y55-G109 WeakPolarHBondContact CD1-O 3.26Å; Y55-Y110 HydrophobicContact CD1-CD2 4.13Å; Y55-Y110 AromaticContact CE1-CD2 3.64Å; Y55-Y110 HydrophobicContact CE1-CD2 3.64Å; Y55-Y110 HydrophobicContact CE1-CG 4.37Å; Y55-Y110 HydrophobicContact CE2-CD2 4.03Å; Y55-Y110 HydrophobicContact CE2-CE2 4.39Å; Y55-Y110 AromaticContact CZ-CD2 3.57Å
56Y98.2Very high95.2Very high27 Ų2734.3 Ų34.311%0.10620%0.197CC..EExtended strand (participates in β ladder)trans-127.6159.6171.465.1-93.1000110.7M69 L108 G109 L111 A152 A155 L156 F161Y56-M69 WeakPolarHBondContact CA-O 3.46Å; Y56-L108 HydrophobicContact CE2-CB 4.46Å; Y56-L108 PolarHBondContact O-N 3.36Å; Y56-G109 VanDerWaalsContact CE1-CA 3.45Å; Y56-G109 PolarHBondContact N-O 2.77Å; Y56-G109 PolarHBondContact O-N 2.73Å; Y56-L111 HydrophobicContact CD1-CD1 4.45Å; Y56-L111 HydrophobicContact CD1-CD2 3.45Å; Y56-L111 VanDerWaalsContact CD1-CD2 3.45Å; Y56-L111 HydrophobicContact CD1-CG 3.74Å; Y56-L111 HydrophobicContact CE1-CD2 3.85Å; Y56-L111 HydrophobicContact CE1-CG 4.47Å; Y56-L111 HydrophobicContact CG-CD2 4.47Å; Y56-A152 HydrophobicContact CG-CB 4.28Å; Y56-A155 HydrophobicContact CD2-CB 4.31Å; Y56-A155 HydrophobicContact CE1-CB 4.17Å; Y56-A155 HydrophobicContact CE2-CB 3.66Å; Y56-L156 HydrophobicContact CD2-CD1 4.29Å; Y56-L156 HydrophobicContact CD2-CD2 3.69Å; Y56-L156 HydrophobicContact CD2-CG 3.74Å; Y56-L156 HydrophobicContact CE2-CD2 4.07Å; Y56-L156 HydrophobicContact CE2-CG 4.3Å; Y56-F161 HydrophobicContact CE2-CD2 4.23Å; Y56-F161 AromaticContact CE2-CE2 3.96Å; Y56-F161 HydrophobicContact CE2-CE2 3.96Å; Y56-F161 HydrophobicContact CE2-CZ 4.17Å; Y56-F161 WeakPolarHBondContact OH-CE2 3.32Å; Y56-F161 WeakPolarHBondContact OH-CZ 3.49Å
57G98.5Very high95.4Very high0 Ų036 Ų360%020%0.203CC..EExtended strand (participates in β ladder)trans170.1-147.518000000112.6M69 I106 L156G57-M69 PolarHBondContact N-O 3.06Å; G57-M69 VanDerWaalsContact N-O 3.09Å; G57-M69 PolarHBondContact O-N 3.35Å; G57-I106 VanDerWaalsContact CA-O 3.23Å; G57-I106 WeakPolarHBondContact CA-O 3.45Å; G57-L156 VanDerWaalsContact O-CD1 3.23Å; G57-L156 WeakPolarHBondContact O-CD1 3.32Å
58F98.5Very high95.6Very high0 Ų035.9 Ų35.90%020%0.198CC..EExtended strand (participates in β ladder)trans-121.9153.6177.4-64.4-75.5000111.3V66 Y67 E68 V105 I106 L108 L156 F161 F164 F170F58-V66 HydrophobicContact CB-CG1 3.7Å; F58-V66 HydrophobicContact CD1-CG1 4.13Å; F58-V66 HydrophobicContact CG-CG1 4.16Å; F58-Y67 CarbonylContact C-O 3.54Å; F58-Y67 VanDerWaalsContact CA-O 3.26Å; F58-Y67 WeakPolarHBondContact CA-O 3.28Å; F58-E68 HydrophobicContact CD1-CG 4.26Å; F58-E68 HydrophobicContact CE1-CG 3.81Å; F58-V105 WeakPolarHBondContact O-CA 3.35Å; F58-I106 PolarHBondContact N-O 3.42Å; F58-I106 PolarHBondContact O-N 2.92Å; F58-L108 HydrophobicContact CD2-CD1 3.58Å; F58-L108 HydrophobicContact CE2-CD1 3.66Å; F58-L156 HydrophobicContact CD2-CD2 4.33Å; F58-L156 HydrophobicContact CE2-CD2 3.71Å; F58-L156 HydrophobicContact CZ-CB 4.31Å; F58-L156 HydrophobicContact CZ-CD2 3.82Å; F58-L156 HydrophobicContact CZ-CG 4.48Å; F58-F161 WeakPolarHBondContact CE2-O 3.28Å; F58-F164 HydrophobicContact CD2-CB 4.04Å; F58-F164 HydrophobicContact CE2-CB 4.25Å; F58-F170 HydrophobicContact CB-CE2 3.89Å; F58-F170 HydrophobicContact CB-CZ 3.7Å
59A98.3Very high96Very high0 Ų028.2 Ų28.20%016%0.163CC..EExtended strand (participates in β ladder)trans-146.7154.4171.900000111.8Y67 M69 L90 L103 R104 V105A59-Y67 PolarHBondContact N-O 2.84Å; A59-Y67 PolarHBondContact O-N 2.87Å; A59-M69 HydrophobicContact CB-CB 4.09Å; A59-M69 HydrophobicContact CB-CG 3.86Å; A59-L90 HydrophobicContact CB-CD2 4.14Å; A59-L90 HydrophobicContact CB-CG 4.35Å; A59-L103 HydrophobicContact CB-CD1 4.28Å; A59-R104 CarbonylContact C-O 3.56Å; A59-R104 WeakPolarHBondContact CA-O 3.34Å; A59-R104 WeakPolarHBondContact CB-O 3.43Å; A59-V105 HydrophobicContact CB-CG2 4.16Å
60N97.1Very high96.2Very high1 Ų123.9 Ų23.91%0.00514%0.143CC..EExtended strand (participates in β ladder)trans-132.7158163.777.1-8.8000111.6G63 N64 A65 V66 L103 R104 F170N60-G63 VanDerWaalsContact ND2-C 3.3Å; N60-G63 WeakPolarHBondContact ND2-CA 3.5Å; N60-N64 WeakPolarHBondContact CB-O 3.23Å; N60-N64 PolarHBondContact ND2-O 3.04Å; N60-A65 VanDerWaalsContact CB-O 3.28Å; N60-A65 WeakPolarHBondContact CB-O 3.45Å; N60-V66 HydrophobicContact CB-CG2 4.13Å; N60-L103 WeakPolarHBondContact O-CD1 3.3Å; N60-R104 PolarHBondContact N-O 3.28Å; N60-R104 PolarHBondContact O-N 3.32Å; N60-R104 WeakPolarHBondContact OD1-CB 3.38Å; N60-F170 HydrophobicContact CB-CD1 4.19Å; N60-F170 PolarHBondContact ND2-O 3.22Å; N60-F170 VanDerWaalsContact ND2-O 3.14Å; N60-F170 WeakPolarHBondContact OD1-CD1 3.33Å
61V96.8Very high96.3Very high9 Ų923.9 Ų23.96%0.05514%0.143CC..EExtended strand (participates in β ladder)trans-108.5123.4178.5-175.80000107.5G63 N64 L90 F94 F98 A101 L103V61-G63 PolarHBondContact O-N 3.15Å; V61-G63 VanDerWaalsContact O-N 3.16Å; V61-N64 VanDerWaalsContact O-CB 3.26Å; V61-N64 WeakPolarHBondContact O-CB 3.29Å; V61-N64 PolarHBondContact O-N 3.44Å; V61-N64 PolarHBondContact O-ND2 2.85Å; V61-L90 HydrophobicContact CG2-CD2 3.94Å; V61-F94 HydrophobicContact CG2-CE1 4.35Å; V61-F94 HydrophobicContact CG2-CZ 4.08Å; V61-F98 HydrophobicContact CG1-CB 3.99Å; V61-F98 HydrophobicContact CG1-CD2 3.88Å; V61-F98 HydrophobicContact CG1-CG 3.96Å; V61-F98 HydrophobicContact CG2-CD2 4.1Å; V61-F98 HydrophobicContact CG2-CE2 4.03Å; V61-F98 HydrophobicContact CG2-CG 4.46Å; V61-F98 HydrophobicContact CG2-CZ 4.33Å; V61-A101 HydrophobicContact CG1-CB 3.56Å; V61-L103 HydrophobicContact CG2-CD1 3.65Å
62D95.1Very high96.3Very high79 Ų7924 Ų2442%0.42214%0.144SC..THydrogen-bonded Turntrans51.535.4178.4-66.6-33.8000115N64 A101 Q102D62-N64 PolarHBondContact O-N 2.9Å; D62-A101 VanDerWaalsContact OD2-CB 3.23Å; D62-A101 WeakPolarHBondContact OD2-CB 3.49Å; D62-Q102 PolarHBondContact N-O 3.06Å; D62-Q102 PolarHBondContact OD1-N 2.92Å
63G93.1Very high96.4Very high41 Ų4122.5 Ų22.542%0.42313%0.134SC..THydrogen-bonded Turntrans75.46.1179.400000114.5N60 V61N60-G63 VanDerWaalsContact ND2-C 3.3Å; N60-G63 WeakPolarHBondContact ND2-CA 3.5Å; V61-G63 PolarHBondContact O-N 3.15Å; V61-G63 VanDerWaalsContact O-N 3.16Å
64N93.9Very high96.2Very high108 Ų10822.6 Ų22.658%0.57814%0.135SC*.  trans-75.4-161.6177.7-63.9-66.9000111.8N60 V61 D62N60-N64 WeakPolarHBondContact CB-O 3.23Å; N60-N64 PolarHBondContact ND2-O 3.04Å; V61-N64 VanDerWaalsContact O-CB 3.26Å; V61-N64 WeakPolarHBondContact O-CB 3.29Å; V61-N64 PolarHBondContact O-N 3.44Å; V61-N64 PolarHBondContact O-ND2 2.85Å; D62-N64 PolarHBondContact O-N 2.9Å
65A96.1Very high95.8Very high55 Ų5526.9 Ų26.946%0.45515%0.15SC..  trans-51.8144.2179.900000112.9N60 Y67N60-A65 VanDerWaalsContact CB-O 3.28Å; N60-A65 WeakPolarHBondContact CB-O 3.45Å; A65-Y67 HydrophobicContact CB-CE1 4.3Å; A65-Y67 HydrophobicContact CB-CE2 4.08Å; A65-Y67 VanDerWaalsContact O-CD2 3.23Å; A65-Y67 WeakPolarHBondContact O-CD2 3.4Å; A65-Y67 WeakPolarHBondContact O-CE2 3.37Å
66V97.4Very high94.7Very high28 Ų2827.8 Ų27.817%0.1716%0.155CC..EExtended strand (participates in β ladder)trans-92.5122.7-178.9179.90000109.9F58 N60 R165 F170F58-V66 HydrophobicContact CB-CG1 3.7Å; F58-V66 HydrophobicContact CD1-CG1 4.13Å; F58-V66 HydrophobicContact CG-CG1 4.16Å; N60-V66 HydrophobicContact CB-CG2 4.13Å; V66-R165 HydrophobicContact CB-CG 4.1Å; V66-R165 HydrophobicContact CG1-CG 4.09Å; V66-F170 HydrophobicContact CB-CD2 4.46Å; V66-F170 HydrophobicContact CG1-CD2 3.92Å; V66-F170 HydrophobicContact CG1-CE2 3.61Å; V66-F170 HydrophobicContact CG1-CZ 4Å; V66-F170 HydrophobicContact CG2-CB 3.87Å; V66-F170 HydrophobicContact CG2-CD1 4.32Å; V66-F170 HydrophobicContact CG2-CD2 3.62Å; V66-F170 HydrophobicContact CG2-CE2 4.19Å; V66-F170 HydrophobicContact CG2-CG 3.69Å
67Y97.6Very high93.4Very high51 Ų5129.1 Ų29.120%0.217%0.166CC..EExtended strand (participates in β ladder)trans-112.3153.2-178.4-54.8-77000111.2F58 A59 A65 L90 H92 F94F58-Y67 CarbonylContact C-O 3.54Å; F58-Y67 VanDerWaalsContact CA-O 3.26Å; F58-Y67 WeakPolarHBondContact CA-O 3.28Å; A59-Y67 PolarHBondContact N-O 2.84Å; A59-Y67 PolarHBondContact O-N 2.87Å; A65-Y67 HydrophobicContact CB-CE1 4.3Å; A65-Y67 HydrophobicContact CB-CE2 4.08Å; A65-Y67 VanDerWaalsContact O-CD2 3.23Å; A65-Y67 WeakPolarHBondContact O-CD2 3.4Å; A65-Y67 WeakPolarHBondContact O-CE2 3.37Å; Y67-L90 HydrophobicContact CD2-CD2 3.94Å; Y67-H92 HydrophobicContact CD1-CB 3.51Å; Y67-H92 AromaticContact CD1-CG 3.55Å; Y67-H92 AromaticContact CD1-ND1 3.92Å; Y67-H92 HydrophobicContact CD2-CB 4.45Å; Y67-H92 HydrophobicContact CE1-CB 3.8Å; Y67-H92 AromaticContact CE1-CD2 3.4Å; Y67-H92 WeakPolarHBondContact CE1-CD2 3.39Å; Y67-H92 AromaticContact CE1-CE1 3.68Å; Y67-H92 AromaticContact CE1-CG 3.27Å; Y67-H92 AromaticContact CE1-ND1 3.46Å; Y67-H92 WeakPolarHBondContact CE1-ND1 3.34Å; Y67-H92 AromaticContact CE1-NE2 3.62Å; Y67-H92 HydrophobicContact CG-CB 3.84Å; Y67-H92 AromaticContact CZ-CD2 3.36Å; Y67-H92 AromaticContact CZ-CG 3.76Å; Y67-H92 AromaticContact CZ-NE2 3.59Å; Y67-H92 PolarHBondContact OH-CD2 3Å; Y67-H92 PolarHBondContact OH-NE2 2.96Å; Y67-F94 AromaticContact CD2-CZ 3.99Å; Y67-F94 HydrophobicContact CD2-CZ 3.99Å; Y67-F94 HydrophobicContact CE2-CE1 4.04Å; Y67-F94 AromaticContact CE2-CZ 3.7Å; Y67-F94 HydrophobicContact CE2-CZ 3.7Å
68E98.1Very high91.7Very high40 Ų4034 Ų3419%0.18719%0.189CC..EExtended strand (participates in β ladder)trans-64.7147.5166-61.6172165.900109.2F58 L91 L156F58-E68 HydrophobicContact CD1-CG 4.26Å; F58-E68 HydrophobicContact CE1-CG 3.81Å; E68-L91 HydrophobicContact CB-CB 4.15Å; E68-L91 HydrophobicContact CB-CD2 3.81Å; E68-L91 HydrophobicContact CB-CG 4.5Å; E68-L91 WeakPolarHBondContact O-CB 3.43Å; E68-L91 PolarHBondContact O-N 3.37Å; E68-L156 HydrophobicContact CB-CD1 3.87Å; E68-L156 HydrophobicContact CG-CD1 3.9Å
69M97.5Very high89.9Confident0 Ų038.3 Ų38.30%021%0.208CC..EExtended strand (participates in β ladder)trans-144.3154.3-178.970.585.2-175.700111.6Y56 G57 A59 M71 V88 H89 V105 I106 A107Y56-M69 WeakPolarHBondContact CA-O 3.46Å; G57-M69 PolarHBondContact N-O 3.06Å; G57-M69 VanDerWaalsContact N-O 3.09Å; G57-M69 PolarHBondContact O-N 3.35Å; A59-M69 HydrophobicContact CB-CB 4.09Å; A59-M69 HydrophobicContact CB-CG 3.86Å; M69-M71 HydrophobicContact CE-CB 4.14Å; M69-M71 HydrophobicContact SD-CB 3.67Å; M69-V88 HydrophobicContact CB-CG1 3.92Å; M69-V88 HydrophobicContact CG-CG1 4.21Å; M69-V88 HydrophobicContact SD-CG1 4.04Å; M69-H89 VanDerWaalsContact CA-O 3.3Å; M69-H89 WeakPolarHBondContact CA-O 3.45Å; M69-V105 HydrophobicContact CE-CG1 3.17Å; M69-V105 HydrophobicContact SD-CG1 3.96Å; M69-I106 WeakPolarHBondContact CE-O 3.4Å; M69-A107 HydrophobicContact CE-CB 4.27Å
70V96.8Very high88.1Confident12 Ų1246.1 Ų46.17%0.07324%0.244CC..EExtended strand (participates in β ladder)trans-111.2142.5157.8-65.80000109.2Y55 V88 H89 L91 L111 I149 A152Y55-V70 CarbonylContact O-C 3.37Å; Y55-V70 WeakPolarHBondContact O-CA 3.21Å; V70-V88 WeakPolarHBondContact O-CA 3.42Å; V70-H89 HydrophobicContact CG2-CB 3.84Å; V70-H89 PolarHBondContact N-O 3.24Å; V70-H89 PolarHBondContact O-N 3.07Å; V70-L91 HydrophobicContact CG1-CD1 4.45Å; V70-L91 HydrophobicContact CG2-CD1 4.43Å; V70-L111 HydrophobicContact CG1-CD1 4.47Å; V70-I149 HydrophobicContact CG1-CG1 4.43Å; V70-I149 HydrophobicContact CG2-CG1 4.29Å; V70-A152 HydrophobicContact CG1-CB 3.64Å
71M95.7Very high86.8Confident1 Ų148.6 Ų48.61%0.00526%0.262CS..EExtended strand (participates in β ladder)trans-127.4130.7-178.4176.5-179.275.400109.5F50 V54 Y55 M69 V73 I86 E87 V88 V105 A107F50-M71 HydrophobicContact CZ-CE 4.46Å; V54-M71 CarbonylContact C-O 3.56Å; V54-M71 WeakPolarHBondContact CA-O 3.22Å; Y55-M71 HydrophobicContact CD2-CE 4.12Å; Y55-M71 HydrophobicContact CG-CE 4.09Å; Y55-M71 PolarHBondContact N-O 3.26Å; Y55-M71 PolarHBondContact O-N 2.99Å; M69-M71 HydrophobicContact CE-CB 4.14Å; M69-M71 HydrophobicContact SD-CB 3.67Å; M71-V73 HydrophobicContact CE-CG2 3.93Å; M71-V73 HydrophobicContact CG-CG2 4.4Å; M71-V73 HydrophobicContact SD-CG2 4.44Å; M71-I86 HydrophobicContact CG-CG2 3.78Å; M71-I86 HydrophobicContact SD-CG2 3.69Å; M71-E87 CarbonylContact C-O 3.57Å; M71-E87 WeakPolarHBondContact CA-O 3.3Å; M71-V88 HydrophobicContact CB-CG2 4.31Å; M71-V88 HydrophobicContact CG-CG2 4.05Å; M71-V105 HydrophobicContact SD-CG1 4.07Å; M71-A107 HydrophobicContact CE-CB 3.61Å
72S94.3Very high85.5Confident14 Ų1455.3 Ų55.310%0.09829%0.292CS..EExtended strand (participates in β ladder)trans-105.9132.5170.373.40000110.6G53 I86 E87G53-S72 WeakPolarHBondContact O-CA 3.37Å; S72-I86 WeakPolarHBondContact O-CA 3.23Å; S72-E87 PolarHBondContact N-O 3.25Å; S72-E87 PolarHBondContact O-N 3.48Å
73V94Very high84.8Confident0 Ų055.9 Ų55.90%029%0.289CS..EExtended strand (participates in β ladder)trans-113.3114.7172.1-1790000108.2L46 F50 C52 G53 Y55 M71 K84 T85 I86 M114L46-V73 HydrophobicContact CD1-CG1 3.99Å; F50-V73 HydrophobicContact CD1-CG1 4.22Å; F50-V73 HydrophobicContact CD1-CG2 4.34Å; F50-V73 HydrophobicContact CE1-CB 4.46Å; F50-V73 HydrophobicContact CE1-CG2 3.89Å; C52-V73 CarbonylContact C-O 3.57Å; C52-V73 WeakPolarHBondContact CA-O 3.01Å; C52-V73 VanDerWaalsContact CB-O 3.24Å; C52-V73 WeakPolarHBondContact CB-O 3.23Å; G53-V73 PolarHBondContact N-O 2.99Å; G53-V73 PolarHBondContact O-N 3.5Å; Y55-V73 HydrophobicContact CD2-CG2 4.29Å; Y55-V73 HydrophobicContact CE2-CB 4.32Å; Y55-V73 HydrophobicContact CE2-CG2 4.17Å; M71-V73 HydrophobicContact CE-CG2 3.93Å; M71-V73 HydrophobicContact CG-CG2 4.4Å; M71-V73 HydrophobicContact SD-CG2 4.44Å; V73-K84 HydrophobicContact CG1-CD 4.01Å; V73-T85 VanDerWaalsContact CA-O 3.3Å; V73-T85 WeakPolarHBondContact CA-O 3.34Å; V73-I86 HydrophobicContact CG2-CG1 4.47Å; V73-M114 WeakPolarHBondContact O-CG 3.47Å; V73-M114 VanDerWaalsContact O-SD 3.34Å
74G90.5Very high84.7Confident1 Ų154.8 Ų54.81%0.0127%0.272CS..EExtended strand (participates in β ladder)trans-124.7-179.5-174.700000113.5K84 T85G74-K84 CarbonylContact O-C 3.58Å; G74-K84 WeakPolarHBondContact O-CA 3.29Å; G74-K84 VanDerWaalsContact O-CB 3.22Å; G74-K84 WeakPolarHBondContact O-CB 3.4Å; G74-T85 PolarHBondContact N-O 2.91Å; G74-T85 PolarHBondContact O-N 3.09Å
75W85.8Confident84.6Confident97 Ų9750.8 Ų50.837%0.36725%0.252SS..EExtended strand (participates in β ladder)trans-102.4133168.1-73110.6000109.8C52 V77 S81 K84C52-W75 PolarHBondContact SG-NE1 3.38Å; C52-W75 VanDerWaalsContact SG-NE1 3.41Å; W75-V77 PolarHBondContact O-N 3.28Å; W75-S81 VanDerWaalsContact CZ3-O 3.24Å; W75-S81 WeakPolarHBondContact CZ3-O 3.4Å; W75-K84 HydrophobicContact CD2-CG 4.24Å; W75-K84 HydrophobicContact CE3-CG 3.85Å; W75-K84 HydrophobicContact CH2-CG 4.16Å; W75-K84 HydrophobicContact CZ2-CG 4.49Å; W75-K84 HydrophobicContact CZ3-CG 3.82Å
76N76.3Confident84.5Confident19 Ų1948.3 Ų48.310%0.10223%0.231CC..  trans-76.8107.8174.9-164.9-35.2000110.4Q78 F79 S81 R83 T85N76-Q78 PolarHBondContact O-N 2.69Å; N76-Q78 WeakPolarHBondContact OD1-CB 3.45Å; N76-Q78 PolarHBondContact OD1-N 2.79Å; N76-F79 HydrophobicContact CB-CD2 4.11Å; N76-F79 WeakPolarHBondContact ND2-CD2 3.23Å; N76-F79 PolarHBondContact O-N 3.3Å; N76-S81 WeakPolarHBondContact O-CA 3.48Å; N76-S81 PolarHBondContact O-N 2.83Å; N76-R83 WeakPolarHBondContact CB-O 3.3Å; N76-R83 PolarHBondContact N-O 2.82Å; N76-T85 HydrophobicContact CB-CG2 3.7Å
77V70.3Confident84.3Confident55 Ų5548 Ų4833%0.33323%0.227SC..G310 helixtrans-66.7-23.3-179.1-174.90000112.2W75 Q80W75-V77 PolarHBondContact O-N 3.28Å; V77-Q80 PolarHBondContact O-N 2.77Å
78Q61.7Low84.2Confident103 Ų10345.5 Ų45.548%0.48122%0.218SC..G310 helixtrans-74.1-31179.4-68.6166-85.800112.5N76 Q80N76-Q78 PolarHBondContact O-N 2.69Å; N76-Q78 WeakPolarHBondContact OD1-CB 3.45Å; N76-Q78 PolarHBondContact OD1-N 2.79Å; Q78-Q80 PolarHBondContact O-N 3.43Å
79F60.7Low84Confident90 Ų9044.7 Ų44.740%0.39521%0.214SC..G310 helixtrans-93.237.3173-65.8-80.3000111.6N76 S81 E82 R83N76-F79 HydrophobicContact CB-CD2 4.11Å; N76-F79 WeakPolarHBondContact ND2-CD2 3.23Å; N76-F79 PolarHBondContact O-N 3.3Å; F79-S81 PolarHBondContact O-N 3.01Å; F79-E82 VanDerWaalsContact O-CB 3.3Å; F79-E82 WeakPolarHBondContact O-CB 3.5Å; F79-E82 WeakPolarHBondContact O-CG 3.43Å; F79-E82 PolarHBondContact O-N 2.84Å; F79-R83 HydrophobicContact CB-CB 4.36Å; F79-R83 HydrophobicContact CB-CG 4.44Å
80Q62.3Low83.9Confident165 Ų16545 Ų4577%0.77122%0.215SC*.THydrogen-bonded Turntrans52.525.8179.1-53.6-172.621.500114.6V77 Q78 E82V77-Q80 PolarHBondContact O-N 2.77Å; Q78-Q80 PolarHBondContact O-N 3.43Å; Q80-E82 VanDerWaalsContact C-N 3.29Å
81S68.8Low83.8Confident53 Ų5346.2 Ų46.237%0.37122%0.221SC..THydrogen-bonded Turntrans64.524.7-173.2-39.90000114.8W75 N76 F79W75-S81 VanDerWaalsContact CZ3-O 3.24Å; W75-S81 WeakPolarHBondContact CZ3-O 3.4Å; N76-S81 WeakPolarHBondContact O-CA 3.48Å; N76-S81 PolarHBondContact O-N 2.83Å; F79-S81 PolarHBondContact O-N 3.01Å
82E69.7Low83.7Confident150 Ų15049.9 Ų49.970%0.70124%0.238SC*.  trans-82.5-27.5174.5-64.3179.6170.400112.3F79 Q80F79-E82 VanDerWaalsContact O-CB 3.3Å; F79-E82 WeakPolarHBondContact O-CB 3.5Å; F79-E82 WeakPolarHBondContact O-CG 3.43Å; F79-E82 PolarHBondContact O-N 2.84Å; Q80-E82 VanDerWaalsContact C-N 3.29Å
83R81.1Confident83.6Confident91 Ų9156.3 Ų56.334%0.34327%0.271SS..SBendtrans-114.2140.7-179.3-65.9-177.1173.9-127-20110.6D40 E44 N76 F79D40-R83 IonicContact OD2-NH1 2.99Å; D40-R83 PolarHBondContact OD2-NH1 3.04Å; E44-R83 IonicContact OE1-CZ 3.22Å; E44-R83 IonicContact OE1-NH1 2.8Å; E44-R83 PolarHBondContact OE1-NH1 2.98Å; E44-R83 IonicContact OE1-NH2 2.96Å; E44-R83 PolarHBondContact OE1-NH2 2.82Å; N76-R83 WeakPolarHBondContact CB-O 3.3Å; N76-R83 PolarHBondContact N-O 2.82Å; F79-R83 HydrophobicContact CB-CB 4.36Å; F79-R83 HydrophobicContact CB-CG 4.44Å
84K90.6Very high83.5Confident18 Ų1859.2 Ų59.28%0.07828%0.283CS..EExtended strand (participates in β ladder)trans-74.8175.7170.1-71.4178.7-171.1164.80111V43 L46 P47 E48 F50 V73 G74 W75V43-K84 VanDerWaalsContact CG1-C 3.5Å; V43-K84 HydrophobicContact CG1-CB 3.79Å; V43-K84 WeakPolarHBondContact CG1-O 3.43Å; L46-K84 HydrophobicContact CD1-CB 4.47Å; L46-K84 HydrophobicContact CD1-CD 4.23Å; P47-K84 PolarHBondContact O-NZ 2.73Å; E48-K84 PolarHBondContact O-NZ 3.05Å; F50-K84 PolarHBondContact O-NZ 2.72Å; V73-K84 HydrophobicContact CG1-CD 4.01Å; G74-K84 CarbonylContact O-C 3.58Å; G74-K84 WeakPolarHBondContact O-CA 3.29Å; G74-K84 VanDerWaalsContact O-CB 3.22Å; G74-K84 WeakPolarHBondContact O-CB 3.4Å; W75-K84 HydrophobicContact CD2-CG 4.24Å; W75-K84 HydrophobicContact CE3-CG 3.85Å; W75-K84 HydrophobicContact CH2-CG 4.16Å; W75-K84 HydrophobicContact CZ2-CG 4.49Å; W75-K84 HydrophobicContact CZ3-CG 3.82Å
85T91.5Very high83.5Confident24 Ų2467.4 Ų67.415%0.14733%0.327CS..EExtended strand (participates in β ladder)trans-131150165.257.90000108.8V73 G74 N76V73-T85 VanDerWaalsContact CA-O 3.3Å; V73-T85 WeakPolarHBondContact CA-O 3.34Å; G74-T85 PolarHBondContact N-O 2.91Å; G74-T85 PolarHBondContact O-N 3.09Å; N76-T85 HydrophobicContact CB-CG2 3.7Å
86I93.8Very high83.7Confident3 Ų370.3 Ų70.32%0.01535%0.345CS..EExtended strand (participates in β ladder)trans-122.3122.2168.5-55.8167.8000108.1L38 V43 L46 M71 S72 V73 V88L38-I86 HydrophobicContact CB-CB 4.19Å; L38-I86 HydrophobicContact CD1-CB 4.17Å; L38-I86 HydrophobicContact CD1-CD1 4.23Å; L38-I86 HydrophobicContact CD1-CG2 3.72Å; L38-I86 HydrophobicContact CG-CB 4.31Å; L38-I86 HydrophobicContact CG-CG2 4.09Å; L38-I86 PolarHBondContact N-O 3.45Å; V43-I86 HydrophobicContact CG2-CD1 4.31Å; V43-I86 HydrophobicContact CG2-CG1 4.17Å; L46-I86 HydrophobicContact CD1-CD1 3.54Å; L46-I86 HydrophobicContact CD1-CG1 3.6Å; L46-I86 HydrophobicContact CD2-CD1 4.39Å; L46-I86 HydrophobicContact CG-CD1 3.89Å; L46-I86 HydrophobicContact CG-CG1 4.47Å; M71-I86 HydrophobicContact CG-CG2 3.78Å; M71-I86 HydrophobicContact SD-CG2 3.69Å; S72-I86 WeakPolarHBondContact O-CA 3.23Å; V73-I86 HydrophobicContact CG2-CG1 4.47Å; I86-V88 HydrophobicContact CG2-CG2 4.16Å
87E93.8Very high84.4Confident20 Ų2073.2 Ų73.29%0.09336%0.36CS..EExtended strand (participates in β ladder)trans-124.5129.5173.9-61.7-175.8-143.700109.8T35 A36 M71 S72T35-E87 HydrophobicContact CG2-CB 4.48Å; T35-E87 PolarHBondContact OG1-OE2 2.82Å; T35-E87 VanDerWaalsContact OG1-OE2 3.1Å; A36-E87 CarbonylContact O-C 3.53Å; A36-E87 WeakPolarHBondContact O-CA 3.43Å; M71-E87 CarbonylContact C-O 3.57Å; M71-E87 WeakPolarHBondContact CA-O 3.3Å; S72-E87 PolarHBondContact N-O 3.25Å; S72-E87 PolarHBondContact O-N 3.48Å
88V94.9Very high85.6Confident0 Ų072.8 Ų72.80%035%0.354CS..EExtended strand (participates in β ladder)trans-118.4129.5-176.4-176.70000109.7T35 A36 M69 V70 M71 I86 L90 L103 V105T35-V88 CarbonylContact C-O 3.44Å; T35-V88 WeakPolarHBondContact CA-O 3.3Å; A36-V88 PolarHBondContact N-O 2.74Å; A36-V88 PolarHBondContact O-N 2.89Å; M69-V88 HydrophobicContact CB-CG1 3.92Å; M69-V88 HydrophobicContact CG-CG1 4.21Å; M69-V88 HydrophobicContact SD-CG1 4.04Å; V70-V88 WeakPolarHBondContact O-CA 3.42Å; M71-V88 HydrophobicContact CB-CG2 4.31Å; M71-V88 HydrophobicContact CG-CG2 4.05Å; I86-V88 HydrophobicContact CG2-CG2 4.16Å; V88-L90 HydrophobicContact CG1-CD1 4.26Å; V88-L103 HydrophobicContact CB-CD2 3.75Å; V88-L103 HydrophobicContact CG1-CD2 3.96Å; V88-L103 HydrophobicContact CG2-CD2 3.85Å; V88-V105 HydrophobicContact CG2-CG2 4.04Å
89H94.1Very high87.2Confident22 Ų2271.6 Ų71.610%0.10235%0.346CS..EExtended strand (participates in β ladder)trans-109.7111.8168179.753.3000108.5P34 T35 M69 V70 L91P34-H89 PolarHBondContact O-ND1 2.86Å; T35-H89 HydrophobicContact CG2-CB 4.24Å; M69-H89 VanDerWaalsContact CA-O 3.3Å; M69-H89 WeakPolarHBondContact CA-O 3.45Å; V70-H89 HydrophobicContact CG2-CB 3.84Å; V70-H89 PolarHBondContact N-O 3.24Å; V70-H89 PolarHBondContact O-N 3.07Å; H89-L91 WeakPolarHBondContact O-CD1 3.48Å
90L95.7Very high88.8Confident7 Ų769.5 Ų69.54%0.03735%0.349CS..EExtended strand (participates in β ladder)trans-76.8135172-64.591.5000108.5A59 V61 Y67 V88 H92 F94 F98 L103A59-L90 HydrophobicContact CB-CD2 4.14Å; A59-L90 HydrophobicContact CB-CG 4.35Å; V61-L90 HydrophobicContact CG2-CD2 3.94Å; Y67-L90 HydrophobicContact CD2-CD2 3.94Å; V88-L90 HydrophobicContact CG1-CD1 4.26Å; L90-H92 PolarHBondContact O-N 3.17Å; L90-F94 HydrophobicContact CB-CE2 4.01Å; L90-F94 HydrophobicContact CD2-CE2 4.14Å; L90-F94 HydrophobicContact CD2-CZ 3.98Å; L90-F94 HydrophobicContact CG-CE2 4.5Å; L90-F98 HydrophobicContact CD1-CE2 4.45Å; L90-F98 HydrophobicContact CD1-CZ 4.02Å; L90-L103 HydrophobicContact CD1-CD1 3.97Å; L90-L103 HydrophobicContact CD2-CD1 4.18Å
91L94.9Very high90.5Very high37 Ų3761.9 Ų61.919%0.19432%0.315CS..SBendtrans-80.652.4178.8-77.655.5000109.7E68 V70 H89 I149 K153E68-L91 HydrophobicContact CB-CB 4.15Å; E68-L91 HydrophobicContact CB-CD2 3.81Å; E68-L91 HydrophobicContact CB-CG 4.5Å; E68-L91 WeakPolarHBondContact O-CB 3.43Å; E68-L91 PolarHBondContact O-N 3.37Å; V70-L91 HydrophobicContact CG1-CD1 4.45Å; V70-L91 HydrophobicContact CG2-CD1 4.43Å; H89-L91 WeakPolarHBondContact O-CD1 3.48Å; L91-I149 HydrophobicContact CD1-CG1 4.49Å; L91-I149 HydrophobicContact CD2-CG2 4Å; L91-I149 HydrophobicContact CG-CG2 4.13Å; L91-K153 HydrophobicContact CD2-CD 4.27Å; L91-K153 HydrophobicContact CD2-CG 3.66Å
92H94.2Very high91.8Very high79 Ų7961.7 Ų61.737%0.36631%0.308SS..SBendtrans-148.9140-179.2-174.962.2000109.8Y67 L90 F94Y67-H92 HydrophobicContact CD1-CB 3.51Å; Y67-H92 AromaticContact CD1-CG 3.55Å; Y67-H92 AromaticContact CD1-ND1 3.92Å; Y67-H92 HydrophobicContact CD2-CB 4.45Å; Y67-H92 HydrophobicContact CE1-CB 3.8Å; Y67-H92 AromaticContact CE1-CD2 3.4Å; Y67-H92 WeakPolarHBondContact CE1-CD2 3.39Å; Y67-H92 AromaticContact CE1-CE1 3.68Å; Y67-H92 AromaticContact CE1-CG 3.27Å; Y67-H92 AromaticContact CE1-ND1 3.46Å; Y67-H92 WeakPolarHBondContact CE1-ND1 3.34Å; Y67-H92 AromaticContact CE1-NE2 3.62Å; Y67-H92 HydrophobicContact CG-CB 3.84Å; Y67-H92 AromaticContact CZ-CD2 3.36Å; Y67-H92 AromaticContact CZ-CG 3.76Å; Y67-H92 AromaticContact CZ-NE2 3.59Å; Y67-H92 PolarHBondContact OH-CD2 3Å; Y67-H92 PolarHBondContact OH-NE2 2.96Å; L90-H92 PolarHBondContact O-N 3.17Å; H92-F94 HydrophobicContact CB-CE2 4.01Å; H92-F94 HydrophobicContact CB-CZ 4.44Å; H92-F94 AromaticContact CD2-CD2 3.94Å; H92-F94 AromaticContact CD2-CE1 3.79Å; H92-F94 AromaticContact CD2-CE2 3.72Å; H92-F94 AromaticContact CD2-CZ 3.65Å
93L91.1Very high93.1Very high148 Ų14854.6 Ų54.678%0.77528%0.275SS*.  trans-89119174.3-176.465.7000108.6
94F91.4Very high93.9Very high61 Ų6151.4 Ų51.427%0.26826%0.263SS..  trans-97.7143.7174.3-66.9-94000110.1V61 Y67 L90 H92 Q96 F98V61-F94 HydrophobicContact CG2-CE1 4.35Å; V61-F94 HydrophobicContact CG2-CZ 4.08Å; Y67-F94 AromaticContact CD2-CZ 3.99Å; Y67-F94 HydrophobicContact CD2-CZ 3.99Å; Y67-F94 HydrophobicContact CE2-CE1 4.04Å; Y67-F94 AromaticContact CE2-CZ 3.7Å; Y67-F94 HydrophobicContact CE2-CZ 3.7Å; L90-F94 HydrophobicContact CB-CE2 4.01Å; L90-F94 HydrophobicContact CD2-CE2 4.14Å; L90-F94 HydrophobicContact CD2-CZ 3.98Å; L90-F94 HydrophobicContact CG-CE2 4.5Å; H92-F94 HydrophobicContact CB-CE2 4.01Å; H92-F94 HydrophobicContact CB-CZ 4.44Å; H92-F94 AromaticContact CD2-CD2 3.94Å; H92-F94 AromaticContact CD2-CE1 3.79Å; H92-F94 AromaticContact CD2-CE2 3.72Å; H92-F94 AromaticContact CD2-CZ 3.65Å; F94-Q96 VanDerWaalsContact C-N 3.25Å; F94-Q96 PolarHBondContact O-N 3.07Å; F94-F98 HydrophobicContact CB-CD1 4.47Å; F94-F98 HydrophobicContact CB-CE1 4.34Å; F94-F98 HydrophobicContact CD1-CD1 4.25Å; F94-F98 HydrophobicContact CD1-CE1 4.26Å; F94-F98 HydrophobicContact CD2-CD1 4.4Å; F94-F98 AromaticContact CD2-CE1 3.65Å; F94-F98 HydrophobicContact CD2-CE1 3.65Å; F94-F98 HydrophobicContact CD2-CZ 4.46Å; F94-F98 AromaticContact CE2-CE1 3.93Å; F94-F98 HydrophobicContact CE2-CE1 3.93Å; F94-F98 HydrophobicContact CE2-CZ 4.39Å; F94-F98 HydrophobicContact CG-CD1 4.13Å; F94-F98 AromaticContact CG-CE1 3.82Å; F94-F98 HydrophobicContact CG-CE1 3.82Å; F94-F98 HydrophobicContact CZ-CE1 4.35Å
95D90.1Very high94.3Very high174 Ų17450.6 Ų50.693%0.9326%0.259SS*.SBendtrans-73-19.9178.3-63.1-37.4000113
96Q90.9Very high94.6Very high157 Ų15749.4 Ų49.473%0.73425%0.252SS*.SBendtrans-143.5158.3-178.963.5-17855.800112.1F94F94-Q96 VanDerWaalsContact C-N 3.25Å; F94-Q96 PolarHBondContact O-N 3.07Å
97D91.8Very high94.8Very high80 Ų8049.3 Ų49.343%0.42825%0.251SS..  trans-66.5148.8168.6-66-30.8000111R29 Y99R29-D97 IonicContact CZ-OD1 2.79Å; R29-D97 IonicContact CZ-OD2 2.69Å; R29-D97 IonicContact NE-OD1 2.65Å; R29-D97 IonicContact NH1-OD1 3.83Å; R29-D97 PolarHBondContact NH1-OD1 3.32Å; R29-D97 IonicContact NH1-OD2 3.07Å; R29-D97 PolarHBondContact NH1-OD2 3.35Å; R29-D97 IonicContact NH2-OD1 3.28Å; R29-D97 PolarHBondContact NH2-OD1 2.94Å; R29-D97 IonicContact NH2-OD2 2.83Å; R29-D97 PolarHBondContact NH2-OD2 2.82Å; D97-Y99 HydrophobicContact CB-CD2 3.89Å; D97-Y99 HydrophobicContact CB-CE2 4.02Å
98F94.7Very high95Very high47 Ų4749 Ų4921%0.20625%0.25CC..  trans-123.742.4179.148.9-93.6000111.5V20 A36 V61 L90 F94 A101V20-F98 HydrophobicContact CB-CD2 4.32Å; V20-F98 HydrophobicContact CG1-CD2 4.16Å; V20-F98 HydrophobicContact CG1-CE2 4.19Å; V20-F98 HydrophobicContact CG2-CD2 3.93Å; V20-F98 HydrophobicContact CG2-CE2 3.99Å; A36-F98 HydrophobicContact CB-CE2 3.94Å; A36-F98 HydrophobicContact CB-CZ 4.36Å; V61-F98 HydrophobicContact CG1-CB 3.99Å; V61-F98 HydrophobicContact CG1-CD2 3.88Å; V61-F98 HydrophobicContact CG1-CG 3.96Å; V61-F98 HydrophobicContact CG2-CD2 4.1Å; V61-F98 HydrophobicContact CG2-CE2 4.03Å; V61-F98 HydrophobicContact CG2-CG 4.46Å; V61-F98 HydrophobicContact CG2-CZ 4.33Å; L90-F98 HydrophobicContact CD1-CE2 4.45Å; L90-F98 HydrophobicContact CD1-CZ 4.02Å; F94-F98 HydrophobicContact CB-CD1 4.47Å; F94-F98 HydrophobicContact CB-CE1 4.34Å; F94-F98 HydrophobicContact CD1-CD1 4.25Å; F94-F98 HydrophobicContact CD1-CE1 4.26Å; F94-F98 HydrophobicContact CD2-CD1 4.4Å; F94-F98 AromaticContact CD2-CE1 3.65Å; F94-F98 HydrophobicContact CD2-CE1 3.65Å; F94-F98 HydrophobicContact CD2-CZ 4.46Å; F94-F98 AromaticContact CE2-CE1 3.93Å; F94-F98 HydrophobicContact CE2-CE1 3.93Å; F94-F98 HydrophobicContact CE2-CZ 4.39Å; F94-F98 HydrophobicContact CG-CD1 4.13Å; F94-F98 AromaticContact CG-CE1 3.82Å; F94-F98 HydrophobicContact CG-CE1 3.82Å; F94-F98 HydrophobicContact CZ-CE1 4.35Å; F98-A101 HydrophobicContact CB-CB 3.94Å; F98-A101 HydrophobicContact CD2-CB 4.4Å; F98-A101 WeakPolarHBondContact O-CB 3.28Å; F98-A101 PolarHBondContact O-N 3.49Å; F98-A101 VanDerWaalsContact O-N 3.16Å
99Y94.6Very high95.1Very high78 Ų7849.2 Ų49.231%0.30625%0.253SS..THydrogen-bonded Turntrans-61139.2170.8-67.4-65.5000110.7V20 V21 R22 R29 D97 A101V20-Y99 HydrophobicContact CG1-CD1 4.09Å; V20-Y99 WeakPolarHBondContact O-CA 3.48Å; V21-Y99 WeakPolarHBondContact O-CE1 3.37Å; R22-Y99 HydrophobicContact CB-CE1 4.28Å; R22-Y99 HydrophobicContact CG-CD1 3.7Å; R22-Y99 HydrophobicContact CG-CD2 4.31Å; R22-Y99 HydrophobicContact CG-CE1 3.71Å; R22-Y99 HydrophobicContact CG-CE2 4.29Å; R22-Y99 HydrophobicContact CG-CG 4.02Å; R22-Y99 VanDerWaalsContact NH1-CE2 3.32Å; R29-Y99 PolarHBondContact NH2-OH 3.07Å; D97-Y99 HydrophobicContact CB-CD2 3.89Å; D97-Y99 HydrophobicContact CB-CE2 4.02Å; Y99-A101 PolarHBondContact O-N 3.09Å
100G95.9Very high95.3Very high45 Ų4549.5 Ų49.546%0.46425%0.253SS..THydrogen-bonded Turntrans82-9.2-17400000114.2V20V20-G100 PolarHBondContact O-N 3.09Å
101A96.5Very high95.3Very high6 Ų651.1 Ų51.15%0.0526%0.262CS..  trans-71.5152.3175.200000111.4E19 V20 V61 D62 F98 Y99 L103E19-A101 WeakPolarHBondContact CA-O 3.34Å; V20-A101 PolarHBondContact N-O 3.01Å; V61-A101 HydrophobicContact CG1-CB 3.56Å; D62-A101 VanDerWaalsContact OD2-CB 3.23Å; D62-A101 WeakPolarHBondContact OD2-CB 3.49Å; F98-A101 HydrophobicContact CB-CB 3.94Å; F98-A101 HydrophobicContact CD2-CB 4.4Å; F98-A101 WeakPolarHBondContact O-CB 3.28Å; F98-A101 PolarHBondContact O-N 3.49Å; F98-A101 VanDerWaalsContact O-N 3.16Å; Y99-A101 PolarHBondContact O-N 3.09Å; A101-L103 PolarHBondContact O-N 2.88Å
102Q97.2Very high95.2Very high49 Ų4951 Ų5123%0.22926%0.259CS..EExtended strand (participates in β ladder)trans-82.5114.9172.2-168.966.15200109.5T17 G18 D62T17-Q102 PolarHBondContact OG1-NE2 3.36Å; G18-Q102 VanDerWaalsContact CA-NE2 3.34Å; G18-Q102 PolarHBondContact O-NE2 3.44Å; D62-Q102 PolarHBondContact N-O 3.06Å; D62-Q102 PolarHBondContact OD1-N 2.92Å
103L97.5Very high95.1Very high0 Ų050.2 Ų50.20%026%0.261CS..EExtended strand (participates in β ladder)trans-96.3127.6172.3-168.975.5000109.6T17 G18 V20 A36 L38 A59 N60 V61 V88 L90 A101 V105T17-L103 WeakPolarHBondContact CA-O 3.39Å; G18-L103 PolarHBondContact N-O 2.93Å; G18-L103 PolarHBondContact O-N 2.84Å; V20-L103 HydrophobicContact CG2-CB 3.76Å; A36-L103 HydrophobicContact CB-CD2 4.33Å; L38-L103 HydrophobicContact CD2-CB 3.87Å; L38-L103 HydrophobicContact CD2-CD2 3.74Å; L38-L103 HydrophobicContact CD2-CG 4.37Å; A59-L103 HydrophobicContact CB-CD1 4.28Å; N60-L103 WeakPolarHBondContact O-CD1 3.3Å; V61-L103 HydrophobicContact CG2-CD1 3.65Å; V88-L103 HydrophobicContact CB-CD2 3.75Å; V88-L103 HydrophobicContact CG1-CD2 3.96Å; V88-L103 HydrophobicContact CG2-CD2 3.85Å; L90-L103 HydrophobicContact CD1-CD1 3.97Å; L90-L103 HydrophobicContact CD2-CD1 4.18Å; A101-L103 PolarHBondContact O-N 2.88Å; L103-V105 HydrophobicContact CD2-CG2 3.81Å; L103-V105 HydrophobicContact CG-CG2 3.9Å
104R97.7Very high94.9Very high25 Ų2545 Ų459%0.09423%0.233CC..EExtended strand (participates in β ladder)trans-108137.8169.9-62.1175.4-177.6-103.3-7.7108.7C16 A59 N60 F169 F170 C172 N174C16-R104 CarbonylContact O-C 3.6Å; C16-R104 WeakPolarHBondContact O-CA 3.39Å; A59-R104 CarbonylContact C-O 3.56Å; A59-R104 WeakPolarHBondContact CA-O 3.34Å; A59-R104 WeakPolarHBondContact CB-O 3.43Å; N60-R104 PolarHBondContact N-O 3.28Å; N60-R104 PolarHBondContact O-N 3.32Å; N60-R104 WeakPolarHBondContact OD1-CB 3.38Å; R104-F169 HydrophobicContact CB-CD1 4.3Å; R104-F169 HydrophobicContact CB-CE1 3.65Å; R104-F169 HydrophobicContact CB-CZ 4.1Å; R104-F169 WeakPolarHBondContact CD-O 3.24Å; R104-F169 HydrophobicContact CG-CE1 4.33Å; R104-F169 HydrophobicContact CG-CZ 4.37Å; R104-F169 PolarHBondContact NH1-O 3.02Å; R104-F169 VanDerWaalsContact NH1-O 3.1Å; R104-F170 HydrophobicContact CB-CD1 4.01Å; R104-F170 HydrophobicContact CB-CE1 4.15Å; R104-C172 VanDerWaalsContact CZ-O 3.31Å; R104-C172 PolarHBondContact NH2-O 2.87Å; R104-N174 PolarHBondContact NH2-OD1 3.09Å
105V98.2Very high94.2Very high0 Ų045 Ų450%024%0.238CC..EExtended strand (participates in β ladder)trans-136.8133.8-171.6-175.30000109.1Y15 C16 F58 A59 M69 M71 V88 L103Y15-V105 WeakPolarHBondContact CA-O 3.43Å; C16-V105 HydrophobicContact CB-CB 4.25Å; C16-V105 PolarHBondContact N-O 2.87Å; C16-V105 PolarHBondContact O-N 3.29Å; F58-V105 WeakPolarHBondContact O-CA 3.35Å; A59-V105 HydrophobicContact CB-CG2 4.16Å; M69-V105 HydrophobicContact CE-CG1 3.17Å; M69-V105 HydrophobicContact SD-CG1 3.96Å; M71-V105 HydrophobicContact SD-CG1 4.07Å; V88-V105 HydrophobicContact CG2-CG2 4.04Å; L103-V105 HydrophobicContact CD2-CG2 3.81Å; L103-V105 HydrophobicContact CG-CG2 3.9Å
106I98.3Very high93Very high0 Ų039.7 Ų39.70%021%0.212CC..EExtended strand (participates in β ladder)trans-117.5104.7166.7-51.5177.1000107.2P13 Y14 Y15 G57 F58 M69 L108 F164 D167 F169 F170P13-I106 HydrophobicContact CB-CG2 4.15Å; Y14-I106 CarbonylContact O-C 3.57Å; Y14-I106 WeakPolarHBondContact O-CA 3.3Å; Y15-I106 HydrophobicContact CD1-CD1 3.97Å; Y15-I106 HydrophobicContact CD1-CG1 3.68Å; Y15-I106 HydrophobicContact CD1-CG2 4.32Å; Y15-I106 HydrophobicContact CE1-CD1 3.48Å; Y15-I106 VanDerWaalsContact CE1-CD1 3.48Å; Y15-I106 HydrophobicContact CE1-CG1 3.71Å; Y15-I106 HydrophobicContact CE1-CG2 4.06Å; Y15-I106 HydrophobicContact CE2-CG2 4.43Å; G57-I106 VanDerWaalsContact CA-O 3.23Å; G57-I106 WeakPolarHBondContact CA-O 3.45Å; F58-I106 PolarHBondContact N-O 3.42Å; F58-I106 PolarHBondContact O-N 2.92Å; M69-I106 WeakPolarHBondContact CE-O 3.4Å; I106-L108 HydrophobicContact CG2-CD2 3.61Å; I106-L108 HydrophobicContact CG2-CG 4.14Å; I106-F164 HydrophobicContact CG2-CD1 4.27Å; I106-D167 HydrophobicContact CD1-CB 3.73Å; I106-F169 HydrophobicContact CD1-CB 4.43Å; I106-F169 HydrophobicContact CD1-CD1 4.01Å; I106-F169 HydrophobicContact CG1-CD1 3.69Å; I106-F169 HydrophobicContact CG1-CE1 4.12Å; I106-F170 HydrophobicContact CB-CZ 4.21Å; I106-F170 HydrophobicContact CD1-CD2 4.04Å; I106-F170 HydrophobicContact CD1-CE1 4.32Å; I106-F170 HydrophobicContact CD1-CE2 3.35Å; I106-F170 HydrophobicContact CD1-CZ 3.52Å; I106-F170 HydrophobicContact CG1-CE1 4.11Å; I106-F170 HydrophobicContact CG1-CE2 3.94Å; I106-F170 HydrophobicContact CG1-CZ 3.51Å
107A98.3Very high91.5Very high0 Ų033.6 Ų33.60%018%0.183CC..EExtended strand (participates in β ladder)trans-80.2128.1171.400000109.5L12 P13 Y14 M69 M71L12-A107 HydrophobicContact CD2-CB 3.88Å; L12-A107 VanDerWaalsContact CD2-O 3.28Å; L12-A107 WeakPolarHBondContact CD2-O 3.24Å; P13-A107 CarbonylContact C-O 3.56Å; P13-A107 VanDerWaalsContact CA-O 3.28Å; P13-A107 WeakPolarHBondContact CA-O 3.15Å; Y14-A107 PolarHBondContact N-O 3.1Å; Y14-A107 PolarHBondContact O-N 2.85Å; M69-A107 HydrophobicContact CE-CB 4.27Å; M71-A107 HydrophobicContact CE-CB 3.61Å
108L98.1Very high89.3Confident13 Ų1337.9 Ų37.97%0.06820%0.198CC..EExtended strand (participates in β ladder)trans-116.1-25.3-170.5-66.9178.2000113.4P13 Y56 F58 I106 L156 F161 F164P13-L108 HydrophobicContact CB-CD2 3.82Å; Y56-L108 HydrophobicContact CE2-CB 4.46Å; Y56-L108 PolarHBondContact O-N 3.36Å; F58-L108 HydrophobicContact CD2-CD1 3.58Å; F58-L108 HydrophobicContact CE2-CD1 3.66Å; I106-L108 HydrophobicContact CG2-CD2 3.61Å; I106-L108 HydrophobicContact CG2-CG 4.14Å; L108-L156 HydrophobicContact CD1-CD2 4.01Å; L108-F161 HydrophobicContact CB-CD1 3.8Å; L108-F161 HydrophobicContact CB-CE1 3.9Å; L108-F161 HydrophobicContact CD1-CB 4.13Å; L108-F161 HydrophobicContact CD1-CD1 3.9Å; L108-F161 HydrophobicContact CD1-CG 4.35Å; L108-F161 HydrophobicContact CG-CD1 4.3Å; L108-F164 HydrophobicContact CD1-CB 3.91Å; L108-F164 HydrophobicContact CD1-CD2 3.9Å; L108-F164 HydrophobicContact CD1-CG 4.02Å; L108-F164 HydrophobicContact CD2-CB 4.32Å; L108-F164 HydrophobicContact CD2-CD1 3.83Å; L108-F164 HydrophobicContact CD2-CD2 3.64Å; L108-F164 HydrophobicContact CD2-CE1 3.92Å; L108-F164 HydrophobicContact CD2-CE2 3.74Å; L108-F164 HydrophobicContact CD2-CG 3.67Å; L108-F164 HydrophobicContact CD2-CZ 3.88Å; L108-F164 HydrophobicContact CG-CD2 4.45Å
109G97Very high86.8Confident6 Ų636.8 Ų36.86%0.06220%0.196CC..EExtended strand (participates in β ladder)trans-151.9160.9-179.800000112.9Y55 Y56Y55-G109 CarbonylContact C-O 3.32Å; Y55-G109 WeakPolarHBondContact CA-O 3.49Å; Y55-G109 WeakPolarHBondContact CB-O 3.46Å; Y55-G109 WeakPolarHBondContact CD1-O 3.26Å; Y56-G109 VanDerWaalsContact CE1-CA 3.45Å; Y56-G109 PolarHBondContact N-O 2.77Å; Y56-G109 PolarHBondContact O-N 2.73Å
110Y97Very high83.9Confident27 Ų2741 Ų4111%0.10622%0.223CC..EExtended strand (participates in β ladder)trans-107.4129.3177177.1-90.5000109.7T4 V5 A8 Y55 R112 P113T4-Y110 HydrophobicContact CG2-CE1 4.42Å; T4-Y110 HydrophobicContact CG2-CE2 4.2Å; T4-Y110 WeakPolarHBondContact CG2-OH 3.43Å; V5-Y110 HydrophobicContact CB-CD1 4.5Å; V5-Y110 HydrophobicContact CG2-CD1 3.88Å; V5-Y110 HydrophobicContact CG2-CE1 3.97Å; A8-Y110 HydrophobicContact CB-CD2 3.65Å; A8-Y110 HydrophobicContact CB-CE2 4.32Å; A8-Y110 HydrophobicContact CB-CG 3.76Å; Y55-Y110 HydrophobicContact CD1-CD2 4.13Å; Y55-Y110 AromaticContact CE1-CD2 3.64Å; Y55-Y110 HydrophobicContact CE1-CD2 3.64Å; Y55-Y110 HydrophobicContact CE1-CG 4.37Å; Y55-Y110 HydrophobicContact CE2-CD2 4.03Å; Y55-Y110 HydrophobicContact CE2-CE2 4.39Å; Y55-Y110 AromaticContact CZ-CD2 3.57Å; Y110-R112 PolarHBondContact OH-O 2.8Å; Y110-P113 WeakPolarHBondContact OH-CA 3.31Å; Y110-P113 WeakPolarHBondContact OH-CB 3.37Å; Y110-P113 WeakPolarHBondContact OH-CD 3.33Å
111L95Very high81.2Confident42 Ų4242 Ų4222%0.2223%0.232CC..EExtended strand (participates in β ladder)trans-91.6-57.3178.6-64.5176.8000111.3V54 Y56 V70 D148 N151V54-L111 HydrophobicContact CB-CB 4.45Å; V54-L111 HydrophobicContact CG1-CD1 4.03Å; V54-L111 PolarHBondContact O-N 2.96Å; Y56-L111 HydrophobicContact CD1-CD1 4.45Å; Y56-L111 HydrophobicContact CD1-CD2 3.45Å; Y56-L111 VanDerWaalsContact CD1-CD2 3.45Å; Y56-L111 HydrophobicContact CD1-CG 3.74Å; Y56-L111 HydrophobicContact CE1-CD2 3.85Å; Y56-L111 HydrophobicContact CE1-CG 4.47Å; Y56-L111 HydrophobicContact CG-CD2 4.47Å; V70-L111 HydrophobicContact CG1-CD1 4.47Å; L111-D148 HydrophobicContact CD1-CB 3.76Å; L111-D148 WeakPolarHBondContact CD1-O 3.05Å; L111-N151 HydrophobicContact CD2-CB 3.89Å
112R93.9Very high78.3Confident33 Ų3351.2 Ų51.213%0.12527%0.271CS..EExtended strand (participates in β ladder)trans-163.6160.2-16961.9170.8-177.381.8-0.9112.7G53 V54 Y110 T115 D148G53-R112 CarbonylContact C-O 3.55Å; G53-R112 VanDerWaalsContact CA-O 3.31Å; G53-R112 WeakPolarHBondContact CA-O 3.45Å; V54-R112 HydrophobicContact CB-CG 4.1Å; V54-R112 HydrophobicContact CG2-CG 4.14Å; V54-R112 PolarHBondContact N-O 3.02Å; Y110-R112 PolarHBondContact OH-O 2.8Å; R112-T115 PolarHBondContact NH1-OG1 3.41Å; R112-D148 WeakPolarHBondContact CD-OD1 3.36Å; R112-D148 IonicContact CZ-OD1 3.92Å; R112-D148 IonicContact CZ-OD2 3.11Å; R112-D148 VanDerWaalsContact NE-CG 3.25Å; R112-D148 IonicContact NE-OD1 2.88Å; R112-D148 PolarHBondContact NE-OD1 2.65Å; R112-D148 IonicContact NE-OD2 2.82Å; R112-D148 PolarHBondContact NE-OD2 2.82Å; R112-D148 IonicContact NH2-OD2 3.15Å; R112-D148 PolarHBondContact NH2-OD2 2.83Å
113P91.8Very high75.7Confident63 Ų6358 Ų5841%0.40930%0.3SS..PPolyproline II helixtrans-66.2164.1171.327.6-35000112Y110 T115Y110-P113 WeakPolarHBondContact OH-CA 3.31Å; Y110-P113 WeakPolarHBondContact OH-CB 3.37Å; Y110-P113 WeakPolarHBondContact OH-CD 3.33Å; P113-T115 PolarHBondContact O-N 2.86Å
114M86.2Confident73Confident39 Ų3967 Ų6719%0.19233%0.334CS..PPolyproline II helixtrans-60.8126.3168.9-64.7-65.1-80.300109.4C52 V73 T126 I127C52-M114 HydrophobicContact CB-CG 3.85Å; V73-M114 WeakPolarHBondContact O-CG 3.47Å; V73-M114 VanDerWaalsContact O-SD 3.34Å; M114-T126 HydrophobicContact CE-CG2 3.46Å; M114-T126 VanDerWaalsContact CE-CG2 3.46Å; M114-I127 HydrophobicContact CE-CB 3.8Å; M114-I127 HydrophobicContact CE-CD1 3.23Å; M114-I127 HydrophobicContact CE-CG1 3.33Å; M114-I127 HydrophobicContact SD-CD1 3.3Å; M114-I127 WeakPolarHBondContact SD-CD1 3.15Å; M114-I127 HydrophobicContact SD-CG1 4.09Å
115T76.7Confident70.2Confident62 Ų6267.1 Ų67.138%0.3834%0.336SS..PPolyproline II helixtrans-103.3125.3174.1-56.10000108.3R112 P113 F117R112-T115 PolarHBondContact NH1-OG1 3.41Å; P113-T115 PolarHBondContact O-N 2.86Å; T115-F117 HydrophobicContact CG2-CE1 4.37Å; T115-F117 HydrophobicContact CG2-CE2 4.23Å; T115-F117 HydrophobicContact CG2-CZ 4.08Å
116T66.2Low67.7Low61 Ų6168 Ų6837%0.37434%0.342SS..PPolyproline II helixtrans-83.8118.2169.9-57.70000108.8
117F58.5Low65.5Low29 Ų2969.5 Ų69.513%0.12735%0.35CS..  trans-86.4111.3167.8-58.6-90000107T115 C119 L133 Q140 L141 A144T115-F117 HydrophobicContact CG2-CE1 4.37Å; T115-F117 HydrophobicContact CG2-CE2 4.23Å; T115-F117 HydrophobicContact CG2-CZ 4.08Å; F117-C119 PolarHBondContact O-N 2.94Å; F117-L133 HydrophobicContact CB-CD2 4.42Å; F117-Q140 HydrophobicContact CD1-CB 4.31Å; F117-Q140 HydrophobicContact CE1-CB 4.14Å; F117-L141 HydrophobicContact CD1-CB 4.42Å; F117-L141 HydrophobicContact CD2-CB 4.41Å; F117-L141 HydrophobicContact CD2-CD1 3.82Å; F117-L141 HydrophobicContact CE1-CB 4.35Å; F117-L141 HydrophobicContact CE2-CB 4.36Å; F117-L141 HydrophobicContact CE2-CD1 3.42Å; F117-L141 VanDerWaalsContact CE2-CD1 3.42Å; F117-L141 HydrophobicContact CE2-CG 4.46Å; F117-L141 HydrophobicContact CG-CB 4.45Å; F117-L141 HydrophobicContact CZ-CB 4.32Å; F117-L141 HydrophobicContact CZ-CD1 3.94Å; F117-A144 HydrophobicContact CZ-CB 4Å
118K46.3Very low63.2Low170 Ų17071.6 Ų71.674%0.73936%0.364SS*.  trans-72.7113.4-176.6-72.9-176.6179.6177.50109.7H137K118-H137 PolarHBondContact O-CD2 3.42Å; K118-H137 PolarHBondContact O-NE2 3.37Å
119C41Very low61Low24 Ų2472 Ų7216%0.16237%0.367CS..  trans-80126.9158.7-69.30000109.5F117 G121 L125 P130 L133F117-C119 PolarHBondContact O-N 2.94Å; C119-G121 PolarHBondContact O-N 2.87Å; C119-L125 HydrophobicContact CB-CD1 4.17Å; C119-P130 WeakPolarHBondContact SG-CG 3.38Å; C119-L133 WeakPolarHBondContact SG-CD2 3.32Å; C119-L133 WeakPolarHBondContact SG-CG 3.36Å
120L35.5Very low58.5Low168 Ų16872.8 Ų72.888%0.8837%0.37SS*.SBendtrans-65.4105.4168.6-78.6161.7000108.5
121G39Very low56.2Low64 Ų6479.3 Ų79.366%0.6641%0.406SS*.SBendtrans109.193.7172.300000114.4C119C119-G121 PolarHBondContact O-N 2.87Å
122K35Very low54Low201 Ų20186.5 Ų86.587%0.87443%0.431SS*.SBendtrans85109.1167.9-55-177.7178.9177.20117.2
123K41.5Very low52.3Low192 Ų19285.9 Ų85.984%0.83543%0.431SS*.SBendtrans62.9138.5161.9-68-174176-177.70117.8
124R41.7Very low50.8Low187 Ų18784.9 Ų84.971%0.70642%0.424SS*.  trans-57.2128179.7-157.2175.8-163.7176.43.6109.6
125L39.4Very low49.8Very low28 Ų2887.1 Ų87.115%0.14744%0.444CS..  trans-112.9114.6177.4-68.1139.7000109C119 S128 P130C119-L125 HydrophobicContact CB-CD1 4.17Å; L125-S128 WeakPolarHBondContact CD2-O 3.44Å; L125-P130 HydrophobicContact CD1-CB 3.69Å; L125-P130 HydrophobicContact CD1-CG 3.32Å; L125-P130 HydrophobicContact CD2-CB 3.78Å; L125-P130 HydrophobicContact CD2-CG 4.12Å; L125-P130 HydrophobicContact CG-CB 4.34Å; L125-P130 HydrophobicContact CG-CG 4.26Å
126T44.4Very low49Very low20 Ų2089.1 Ų89.112%0.12345%0.451CS..SBendtrans-99.295.2174.7-54.60000106.9M114 S128M114-T126 HydrophobicContact CE-CG2 3.46Å; M114-T126 VanDerWaalsContact CE-CG2 3.46Å; T126-S128 PolarHBondContact O-N 2.76Å; T126-S128 PolarHBondContact O-OG 2.85Å; T126-S128 VanDerWaalsContact O-OG 3.11Å
127I53.6Low49.1Very low31 Ų3188.2 Ų88.216%0.15944%0.443CS..SBendtrans35.241.5-178-49.1-177.9000113.2M114M114-I127 HydrophobicContact CE-CB 3.8Å; M114-I127 HydrophobicContact CE-CD1 3.23Å; M114-I127 HydrophobicContact CE-CG1 3.33Å; M114-I127 HydrophobicContact SD-CD1 3.3Å; M114-I127 WeakPolarHBondContact SD-CD1 3.15Å; M114-I127 HydrophobicContact SD-CG1 4.09Å
128S49.9Very low49.7Very low43 Ų4389.1 Ų89.130%0.30145%0.449SS..  trans-119.3103.8161.8-35.60000102.9L125 T126 P130L125-S128 WeakPolarHBondContact CD2-O 3.44Å; T126-S128 PolarHBondContact O-N 2.76Å; T126-S128 PolarHBondContact O-OG 2.85Å; T126-S128 VanDerWaalsContact O-OG 3.11Å; S128-P130 VanDerWaalsContact O-CD 3.3Å; S128-P130 WeakPolarHBondContact O-CD 3.44Å
129I51.2Low51.2Low23 Ų2386 Ų8612%0.11844%0.437CS..  trans-52.4115.4176.8-69.3143.5000106.4R26 L31 L133 L138 L141R26-I129 WeakPolarHBondContact CB-O 3.29Å; R26-I129 WeakPolarHBondContact CD-O 3.48Å; L31-I129 HydrophobicContact CD1-CD1 3.27Å; L31-I129 HydrophobicContact CD1-CG1 4.01Å; L31-I129 HydrophobicContact CG-CD1 4.35Å; I129-L133 HydrophobicContact CB-CD1 4.23Å; I129-L133 HydrophobicContact CG1-CD1 4.26Å; I129-L133 HydrophobicContact CG2-CD1 3.91Å; I129-L138 HydrophobicContact CG2-CD1 4.44Å; I129-L141 HydrophobicContact CD1-CD2 3.98Å; I129-L141 HydrophobicContact CG1-CD2 3.36Å
130P44.4Very low53.1Low21 Ų2189 Ų8914%0.13645%0.449CS..  trans-61.7151.9169.629.2-36.1000108.3C119 L125 S128 Y132 L133C119-P130 WeakPolarHBondContact SG-CG 3.38Å; L125-P130 HydrophobicContact CD1-CB 3.69Å; L125-P130 HydrophobicContact CD1-CG 3.32Å; L125-P130 HydrophobicContact CD2-CB 3.78Å; L125-P130 HydrophobicContact CD2-CG 4.12Å; L125-P130 HydrophobicContact CG-CB 4.34Å; L125-P130 HydrophobicContact CG-CG 4.26Å; S128-P130 VanDerWaalsContact O-CD 3.3Å; S128-P130 WeakPolarHBondContact O-CD 3.44Å; P130-Y132 PolarHBondContact O-N 2.87Å; P130-L133 HydrophobicContact CG-CB 4.42Å; P130-L133 HydrophobicContact CG-CD1 4.18Å; P130-L133 HydrophobicContact CG-CG 3.72Å
131L48.3Very low55.1Low164 Ų16481.4 Ų81.486%0.85941%0.409SS*.SBendtrans-54.5-11.6175.4-157.372.4000113.2
132Y50.2Low57.1Low193 Ų19380.3 Ų80.376%0.75739%0.387SS*.  trans-142.387.9175.5-163.9-103.1000110P130P130-Y132 PolarHBondContact O-N 2.87Å
133L56.7Low59.6Low20 Ų2076 Ų7611%0.10537%0.37CS..  trans-88.9129.9161.1-104.4152.4000107.2F117 C119 I129 P130 S135 H137 L138 L141F117-L133 HydrophobicContact CB-CD2 4.42Å; C119-L133 WeakPolarHBondContact SG-CD2 3.32Å; C119-L133 WeakPolarHBondContact SG-CG 3.36Å; I129-L133 HydrophobicContact CB-CD1 4.23Å; I129-L133 HydrophobicContact CG1-CD1 4.26Å; I129-L133 HydrophobicContact CG2-CD1 3.91Å; P130-L133 HydrophobicContact CG-CB 4.42Å; P130-L133 HydrophobicContact CG-CD1 4.18Å; P130-L133 HydrophobicContact CG-CG 3.72Å; L133-S135 PolarHBondContact O-N 2.62Å; L133-H137 HydrophobicContact CD2-CB 3.31Å; L133-L138 HydrophobicContact CB-CB 4.3Å; L133-L138 HydrophobicContact CB-CD1 4.24Å; L133-L138 HydrophobicContact CD1-CD1 4.06Å; L133-L141 HydrophobicContact CD1-CD2 4.09Å
134P60.9Low61.8Low42 Ų4267 Ų6727%0.27333%0.332SS..  trans-53.5138.4168.1-20.630.6000109.3L136 H137 L138P134-L136 VanDerWaalsContact C-N 3.25Å; P134-L136 PolarHBondContact O-N 2.8Å; P134-L136 VanDerWaalsContact O-N 3.09Å; P134-H137 PolarHBondContact O-N 2.98Å; P134-L138 PolarHBondContact O-N 3.29Å
135S65.7Low63.9Low87 Ų8759.7 Ų59.761%0.60831%0.307SS*.Hα-helixtrans-46.7-45.3-172.151.70000113.6L133 H137 L138 E139L133-S135 PolarHBondContact O-N 2.62Å; S135-H137 VanDerWaalsContact C-N 3.3Å; S135-H137 PolarHBondContact O-N 2.85Å; S135-L138 WeakPolarHBondContact O-CB 3.39Å; S135-L138 PolarHBondContact O-N 3.44Å; S135-E139 PolarHBondContact O-N 2.94Å
136L60.2Low66.4Low103 Ų10363.1 Ų63.154%0.53932%0.322SS..Hα-helixtrans-57-39.1178.4-176.964.5000113.6P134 Q140P134-L136 VanDerWaalsContact C-N 3.25Å; P134-L136 PolarHBondContact O-N 2.8Å; P134-L136 VanDerWaalsContact O-N 3.09Å; L136-Q140 WeakPolarHBondContact O-CG 3.4Å; L136-Q140 PolarHBondContact O-N 3.46Å
137H68.2Low68.7Low43 Ų4368 Ų6820%0.19934%0.338CS..Hα-helixtrans-78.4-26.4179.6-66.688.5000111.8K118 L133 P134 S135 L141K118-H137 PolarHBondContact O-CD2 3.42Å; K118-H137 PolarHBondContact O-NE2 3.37Å; L133-H137 HydrophobicContact CD2-CB 3.31Å; P134-H137 PolarHBondContact O-N 2.98Å; S135-H137 VanDerWaalsContact C-N 3.3Å; S135-H137 PolarHBondContact O-N 2.85Å; H137-L141 WeakPolarHBondContact O-CB 3.3Å; H137-L141 PolarHBondContact O-N 3Å; H137-L141 VanDerWaalsContact O-N 3.08Å
138L70.2Confident70.7Confident47 Ų4766.9 Ų66.925%0.24633%0.332CS..Hα-helixtrans-68.5-44173.5-167.162.2000110.9L31 I129 L133 P134 S135 L141 I142L31-L138 HydrophobicContact CD1-CD1 3.77Å; L31-L138 HydrophobicContact CD2-CD1 3.43Å; L31-L138 VanDerWaalsContact CD2-CD1 3.43Å; L31-L138 HydrophobicContact CD2-CD2 3.7Å; L31-L138 HydrophobicContact CD2-CG 3.67Å; L31-L138 HydrophobicContact CG-CD1 4.24Å; I129-L138 HydrophobicContact CG2-CD1 4.44Å; L133-L138 HydrophobicContact CB-CB 4.3Å; L133-L138 HydrophobicContact CB-CD1 4.24Å; L133-L138 HydrophobicContact CD1-CD1 4.06Å; P134-L138 PolarHBondContact O-N 3.29Å; S135-L138 WeakPolarHBondContact O-CB 3.39Å; S135-L138 PolarHBondContact O-N 3.44Å; L138-L141 WeakPolarHBondContact O-CB 3.5Å; L138-L141 PolarHBondContact O-N 3.47Å; L138-I142 HydrophobicContact CG-CD1 4.21Å; L138-I142 VanDerWaalsContact O-CG1 3.31Å; L138-I142 WeakPolarHBondContact O-CG1 3.38Å; L138-I142 PolarHBondContact O-N 2.98Å
139E77.3Confident72.8Confident106 Ų10666 Ų6650%0.49532%0.324SS..Hα-helixtrans-58.5-49.1174.7-71.8168.4-166.300111S135 L141 I142 E143S135-E139 PolarHBondContact O-N 2.94Å; E139-L141 VanDerWaalsContact C-N 3.27Å; E139-L141 PolarHBondContact O-N 3.28Å; E139-I142 PolarHBondContact O-N 3.37Å; E139-I142 VanDerWaalsContact O-N 3.14Å; E139-E143 WeakPolarHBondContact O-CB 3.08Å; E139-E143 WeakPolarHBondContact O-CG 3.49Å; E139-E143 PolarHBondContact O-N 2.92Å
140Q81.2Confident75Confident87 Ų8771.1 Ų71.141%0.40735%0.347SS..Hα-helixtrans-59.2-36.2175.9-72.1176.3-17.700113.4F117 L136 A144F117-Q140 HydrophobicContact CD1-CB 4.31Å; F117-Q140 HydrophobicContact CE1-CB 4.14Å; L136-Q140 WeakPolarHBondContact O-CG 3.4Å; L136-Q140 PolarHBondContact O-N 3.46Å; Q140-A144 VanDerWaalsContact O-CB 3.32Å; Q140-A144 WeakPolarHBondContact O-CB 2.91Å; Q140-A144 PolarHBondContact O-N 3.47Å
141L79.1Confident77.5Confident7 Ų774 Ų744%0.03736%0.362CS..Hα-helixtrans-67.9-47.3175.4173.363000111L31 F117 I129 L133 H137 L138 E139 A144 I145L31-L141 HydrophobicContact CD1-CD2 4.26Å; F117-L141 HydrophobicContact CD1-CB 4.42Å; F117-L141 HydrophobicContact CD2-CB 4.41Å; F117-L141 HydrophobicContact CD2-CD1 3.82Å; F117-L141 HydrophobicContact CE1-CB 4.35Å; F117-L141 HydrophobicContact CE2-CB 4.36Å; F117-L141 HydrophobicContact CE2-CD1 3.42Å; F117-L141 VanDerWaalsContact CE2-CD1 3.42Å; F117-L141 HydrophobicContact CE2-CG 4.46Å; F117-L141 HydrophobicContact CG-CB 4.45Å; F117-L141 HydrophobicContact CZ-CB 4.32Å; F117-L141 HydrophobicContact CZ-CD1 3.94Å; I129-L141 HydrophobicContact CD1-CD2 3.98Å; I129-L141 HydrophobicContact CG1-CD2 3.36Å; L133-L141 HydrophobicContact CD1-CD2 4.09Å; H137-L141 WeakPolarHBondContact O-CB 3.3Å; H137-L141 PolarHBondContact O-N 3Å; H137-L141 VanDerWaalsContact O-N 3.08Å; L138-L141 WeakPolarHBondContact O-CB 3.5Å; L138-L141 PolarHBondContact O-N 3.47Å; E139-L141 VanDerWaalsContact C-N 3.27Å; E139-L141 PolarHBondContact O-N 3.28Å; L141-A144 PolarHBondContact O-N 2.98Å; L141-I145 HydrophobicContact CD1-CD1 3.85Å; L141-I145 HydrophobicContact CD1-CG1 4.2Å; L141-I145 HydrophobicContact CG-CD1 3.91Å; L141-I145 VanDerWaalsContact O-CG1 3.32Å; L141-I145 WeakPolarHBondContact O-CG1 3.41Å; L141-I145 PolarHBondContact O-N 3.48Å
142I80.9Confident79.8Confident41 Ų4166.2 Ų66.221%0.2132%0.321CS..Hα-helixtrans-59.1-49177.6-67.9165000109.8L31 L138 E139 A144 I145 Q146L31-I142 HydrophobicContact CB-CG1 4.31Å; L31-I142 HydrophobicContact CD1-CG1 4.35Å; L31-I142 HydrophobicContact CD2-CD1 3.93Å; L31-I142 HydrophobicContact CD2-CG1 4.19Å; L138-I142 HydrophobicContact CG-CD1 4.21Å; L138-I142 VanDerWaalsContact O-CG1 3.31Å; L138-I142 WeakPolarHBondContact O-CG1 3.38Å; L138-I142 PolarHBondContact O-N 2.98Å; E139-I142 PolarHBondContact O-N 3.37Å; E139-I142 VanDerWaalsContact O-N 3.14Å; I142-A144 VanDerWaalsContact C-N 3.29Å; I142-A144 PolarHBondContact O-N 3.28Å; I142-I145 PolarHBondContact O-N 3.48Å; I142-I145 VanDerWaalsContact O-N 3.13Å; I142-Q146 HydrophobicContact CG2-CG 4.23Å; I142-Q146 WeakPolarHBondContact O-CB 3.34Å; I142-Q146 WeakPolarHBondContact O-CG 3.44Å; I142-Q146 PolarHBondContact O-N 3.08Å
143E86.7Confident82.1Confident110 Ų11061.9 Ų61.951%0.51431%0.306SS..Hα-helixtrans-58.6-40.6177.4-74.1177.7178.300112E139 R147E139-E143 WeakPolarHBondContact O-CB 3.08Å; E139-E143 WeakPolarHBondContact O-CG 3.49Å; E139-E143 PolarHBondContact O-N 2.92Å; E143-R147 VanDerWaalsContact O-CB 3.31Å; E143-R147 WeakPolarHBondContact O-CB 3.46Å; E143-R147 PolarHBondContact O-N 3.1Å
144A87.7Confident84Confident5 Ų565.5 Ų65.54%0.04133%0.333CS..Hα-helixtrans-64.8-42.5176.300000111.9F117 Q140 L141 I142 R147 D148F117-A144 HydrophobicContact CZ-CB 4Å; Q140-A144 VanDerWaalsContact O-CB 3.32Å; Q140-A144 WeakPolarHBondContact O-CB 2.91Å; Q140-A144 PolarHBondContact O-N 3.47Å; L141-A144 PolarHBondContact O-N 2.98Å; I142-A144 VanDerWaalsContact C-N 3.29Å; I142-A144 PolarHBondContact O-N 3.28Å; A144-R147 PolarHBondContact O-N 3.32Å; A144-D148 PolarHBondContact O-N 3.29Å
145I86.3Confident85.7Confident33 Ų3364.8 Ų64.817%0.16933%0.33CS..Hα-helixtrans-65.3-45.2177.3-67.9166.2000110.7C33 L141 I142 R147 D148 I149C33-I145 HydrophobicContact CB-CG2 4.2Å; L141-I145 HydrophobicContact CD1-CD1 3.85Å; L141-I145 HydrophobicContact CD1-CG1 4.2Å; L141-I145 HydrophobicContact CG-CD1 3.91Å; L141-I145 VanDerWaalsContact O-CG1 3.32Å; L141-I145 WeakPolarHBondContact O-CG1 3.41Å; L141-I145 PolarHBondContact O-N 3.48Å; I142-I145 PolarHBondContact O-N 3.48Å; I142-I145 VanDerWaalsContact O-N 3.13Å; I145-R147 VanDerWaalsContact C-N 3.34Å; I145-R147 PolarHBondContact O-N 3.15Å; I145-D148 WeakPolarHBondContact O-CB 3.48Å; I145-D148 PolarHBondContact O-N 3.28Å; I145-D148 VanDerWaalsContact O-N 3.15Å; I145-I149 HydrophobicContact CG2-CD1 3.94Å; I145-I149 WeakPolarHBondContact O-CG1 3.26Å; I145-I149 PolarHBondContact O-N 3.1Å
146Q90.9Very high87.3Confident99 Ų9960.6 Ų60.646%0.46330%0.301SS..Hα-helixtrans-59.8-45.4177.7-74.2175.6-17.400111.2I142 D148 I149 E150I142-Q146 HydrophobicContact CG2-CG 4.23Å; I142-Q146 WeakPolarHBondContact O-CB 3.34Å; I142-Q146 WeakPolarHBondContact O-CG 3.44Å; I142-Q146 PolarHBondContact O-N 3.08Å; Q146-D148 VanDerWaalsContact C-N 3.32Å; Q146-D148 PolarHBondContact O-N 3.11Å; Q146-I149 WeakPolarHBondContact O-CB 3.42Å; Q146-I149 PolarHBondContact O-N 2.88Å; Q146-E150 WeakPolarHBondContact O-CG 3.46Å; Q146-E150 PolarHBondContact O-N 3.41Å
147R94.2Very high89Confident124 Ų12458.9 Ų58.947%0.46830%0.302SS..Hα-helixtrans-62.1-38.4174.8-177.6172.657.5-119.5-5.6112.4E143 A144 I145 E150 N151E143-R147 VanDerWaalsContact O-CB 3.31Å; E143-R147 WeakPolarHBondContact O-CB 3.46Å; E143-R147 PolarHBondContact O-N 3.1Å; A144-R147 PolarHBondContact O-N 3.32Å; I145-R147 VanDerWaalsContact C-N 3.34Å; I145-R147 PolarHBondContact O-N 3.15Å; R147-E150 PolarHBondContact O-N 3.45Å; R147-N151 WeakPolarHBondContact O-CB 3.3Å; R147-N151 PolarHBondContact O-N 2.93Å; R147-N151 PolarHBondContact O-ND2 3.47Å; R147-N151 VanDerWaalsContact O-ND2 3.15Å
148D94.7Very high90.3Very high7 Ų759 Ų594%0.03731%0.307CS..Hα-helixtrans-63.7-42.3175.3-66.9-27.3000111.4V54 L111 R112 A144 I145 Q146 N151 A152V54-D148 HydrophobicContact CG1-CB 4.39Å; L111-D148 HydrophobicContact CD1-CB 3.76Å; L111-D148 WeakPolarHBondContact CD1-O 3.05Å; R112-D148 WeakPolarHBondContact CD-OD1 3.36Å; R112-D148 IonicContact CZ-OD1 3.92Å; R112-D148 IonicContact CZ-OD2 3.11Å; R112-D148 VanDerWaalsContact NE-CG 3.25Å; R112-D148 IonicContact NE-OD1 2.88Å; R112-D148 PolarHBondContact NE-OD1 2.65Å; R112-D148 IonicContact NE-OD2 2.82Å; R112-D148 PolarHBondContact NE-OD2 2.82Å; R112-D148 IonicContact NH2-OD2 3.15Å; R112-D148 PolarHBondContact NH2-OD2 2.83Å; A144-D148 PolarHBondContact O-N 3.29Å; I145-D148 WeakPolarHBondContact O-CB 3.48Å; I145-D148 PolarHBondContact O-N 3.28Å; I145-D148 VanDerWaalsContact O-N 3.15Å; Q146-D148 VanDerWaalsContact C-N 3.32Å; Q146-D148 PolarHBondContact O-N 3.11Å; D148-N151 PolarHBondContact O-N 2.82Å; D148-A152 VanDerWaalsContact O-CB 3.26Å; D148-A152 WeakPolarHBondContact O-CB 3.18Å; D148-A152 PolarHBondContact O-N 3.24Å
149I94.2Very high91.4Very high24 Ų2462 Ų6212%0.12333%0.33CS..Hα-helixtrans-62.3-46.2176.1-71.3168.6000110.9V70 L91 I145 Q146 A152 K153V70-I149 HydrophobicContact CG1-CG1 4.43Å; V70-I149 HydrophobicContact CG2-CG1 4.29Å; L91-I149 HydrophobicContact CD1-CG1 4.49Å; L91-I149 HydrophobicContact CD2-CG2 4Å; L91-I149 HydrophobicContact CG-CG2 4.13Å; I145-I149 HydrophobicContact CG2-CD1 3.94Å; I145-I149 WeakPolarHBondContact O-CG1 3.26Å; I145-I149 PolarHBondContact O-N 3.1Å; Q146-I149 WeakPolarHBondContact O-CB 3.42Å; Q146-I149 PolarHBondContact O-N 2.88Å; I149-A152 PolarHBondContact O-N 3.15Å; I149-K153 HydrophobicContact CG2-CD 4.25Å; I149-K153 WeakPolarHBondContact O-CG 3.41Å; I149-K153 PolarHBondContact O-N 2.97Å
150E96.8Very high92.2Very high130 Ų13061 Ų6161%0.60733%0.331SS*.Hα-helixtrans-61.7-46178-73174.5176.100111.8Q146 R147 A152 K153 S154Q146-E150 WeakPolarHBondContact O-CG 3.46Å; Q146-E150 PolarHBondContact O-N 3.41Å; R147-E150 PolarHBondContact O-N 3.45Å; E150-A152 VanDerWaalsContact C-N 3.34Å; E150-A152 PolarHBondContact O-N 2.92Å; E150-K153 PolarHBondContact O-N 3.46Å; E150-S154 WeakPolarHBondContact O-CB 3.14Å; E150-S154 PolarHBondContact O-N 3.41Å
151N97Very high93Very high82 Ų8258.9 Ų58.944%0.43932%0.32SS..Hα-helixtrans-63-40.7176.5-71.9-27000111.8L111 R147 D148 A155L111-N151 HydrophobicContact CD2-CB 3.89Å; R147-N151 WeakPolarHBondContact O-CB 3.3Å; R147-N151 PolarHBondContact O-N 2.93Å; R147-N151 PolarHBondContact O-ND2 3.47Å; R147-N151 VanDerWaalsContact O-ND2 3.15Å; D148-N151 PolarHBondContact O-N 2.82Å; N151-A155 WeakPolarHBondContact O-CB 3.31Å; N151-A155 PolarHBondContact O-N 2.91Å
152A97.3Very high93.8Very high0 Ų060.9 Ų60.90%033%0.33CS..Hα-helixtrans-61.1-50.5175.600000111.4Y56 V70 D148 I149 E150 S154 A155 L156Y56-A152 HydrophobicContact CG-CB 4.28Å; V70-A152 HydrophobicContact CG1-CB 3.64Å; D148-A152 VanDerWaalsContact O-CB 3.26Å; D148-A152 WeakPolarHBondContact O-CB 3.18Å; D148-A152 PolarHBondContact O-N 3.24Å; I149-A152 PolarHBondContact O-N 3.15Å; E150-A152 VanDerWaalsContact C-N 3.34Å; E150-A152 PolarHBondContact O-N 2.92Å; A152-S154 PolarHBondContact O-N 3.32Å; A152-A155 PolarHBondContact O-N 3.19Å; A152-L156 VanDerWaalsContact O-CB 3.3Å; A152-L156 WeakPolarHBondContact O-CB 3.49Å; A152-L156 VanDerWaalsContact O-CG 3.23Å; A152-L156 WeakPolarHBondContact O-CG 3.31Å; A152-L156 PolarHBondContact O-N 2.98Å
153K97.5Very high94.5Very high103 Ų10367.1 Ų67.145%0.44835%0.351SS..Hα-helixtrans-57.4-47.7177.1-74.7-178.9173.8-176.50111.8L91 I149 E150 A155 L156 A157L91-K153 HydrophobicContact CD2-CD 4.27Å; L91-K153 HydrophobicContact CD2-CG 3.66Å; I149-K153 HydrophobicContact CG2-CD 4.25Å; I149-K153 WeakPolarHBondContact O-CG 3.41Å; I149-K153 PolarHBondContact O-N 2.97Å; E150-K153 PolarHBondContact O-N 3.46Å; K153-A155 PolarHBondContact O-N 2.87Å; K153-L156 PolarHBondContact O-N 3.3Å; K153-A157 PolarHBondContact O-N 2.81Å
154S97.5Very high94.9Very high95 Ų9562.9 Ų62.966%0.66433%0.33SS*.Hα-helixtrans-60.6-44.5179.3-1770000111.9E150 A152E150-S154 WeakPolarHBondContact O-CB 3.14Å; E150-S154 PolarHBondContact O-N 3.41Å; A152-S154 PolarHBondContact O-N 3.32Å
155A96.8Very high95.3Very high27 Ų2767 Ų6722%0.22335%0.345CS..Hα-helixtrans-65.7-49.7177.200000111.8Y56 N151 A152 K153 A157 S158 F161Y56-A155 HydrophobicContact CD2-CB 4.31Å; Y56-A155 HydrophobicContact CE1-CB 4.17Å; Y56-A155 HydrophobicContact CE2-CB 3.66Å; N151-A155 WeakPolarHBondContact O-CB 3.31Å; N151-A155 PolarHBondContact O-N 2.91Å; A152-A155 PolarHBondContact O-N 3.19Å; K153-A155 PolarHBondContact O-N 2.87Å; A155-A157 PolarHBondContact O-N 3.3Å; A155-S158 VanDerWaalsContact O-CB 3.28Å; A155-S158 WeakPolarHBondContact O-CB 3.32Å; A155-S158 PolarHBondContact O-N 3.15Å; A155-S158 VanDerWaalsContact O-N 3.09Å; A155-F161 WeakPolarHBondContact O-CD2 3.42Å
156L97.8Very high95.6Very high0 Ų072 Ų720%037%0.372CS..Hα-helixtrans-65.4-23.2-175.4-70.9172000113.3Y56 G57 F58 E68 L108 A152 K153 S158 F161 Q162Y56-L156 HydrophobicContact CD2-CD1 4.29Å; Y56-L156 HydrophobicContact CD2-CD2 3.69Å; Y56-L156 HydrophobicContact CD2-CG 3.74Å; Y56-L156 HydrophobicContact CE2-CD2 4.07Å; Y56-L156 HydrophobicContact CE2-CG 4.3Å; G57-L156 VanDerWaalsContact O-CD1 3.23Å; G57-L156 WeakPolarHBondContact O-CD1 3.32Å; F58-L156 HydrophobicContact CD2-CD2 4.33Å; F58-L156 HydrophobicContact CE2-CD2 3.71Å; F58-L156 HydrophobicContact CZ-CB 4.31Å; F58-L156 HydrophobicContact CZ-CD2 3.82Å; F58-L156 HydrophobicContact CZ-CG 4.48Å; E68-L156 HydrophobicContact CB-CD1 3.87Å; E68-L156 HydrophobicContact CG-CD1 3.9Å; L108-L156 HydrophobicContact CD1-CD2 4.01Å; A152-L156 VanDerWaalsContact O-CB 3.3Å; A152-L156 WeakPolarHBondContact O-CB 3.49Å; A152-L156 VanDerWaalsContact O-CG 3.23Å; A152-L156 WeakPolarHBondContact O-CG 3.31Å; A152-L156 PolarHBondContact O-N 2.98Å; K153-L156 PolarHBondContact O-N 3.3Å; L156-S158 PolarHBondContact O-N 3.12Å; L156-S158 VanDerWaalsContact O-N 3.17Å; L156-F161 HydrophobicContact CD2-CB 4.01Å; L156-F161 HydrophobicContact CD2-CG 4.44Å; L156-Q162 WeakPolarHBondContact O-CG 3.36Å; L156-Q162 PolarHBondContact O-NE2 3.49Å
157A96.7Very high95.9Very high67 Ų6769.1 Ų69.155%0.55436%0.36SS*.THydrogen-bonded Turntrans-62.6-16.8173.100000113.8K153 A155K153-A157 PolarHBondContact O-N 2.81Å; A155-A157 PolarHBondContact O-N 3.3Å
158S95.2Very high95.9Very high44 Ų4465.4 Ų65.431%0.30836%0.36SS..SBendtrans-65.7138.2176.7-179.90000112.3A155 L156 T160 F161 Q162A155-S158 VanDerWaalsContact O-CB 3.28Å; A155-S158 WeakPolarHBondContact O-CB 3.32Å; A155-S158 PolarHBondContact O-N 3.15Å; A155-S158 VanDerWaalsContact O-N 3.09Å; L156-S158 PolarHBondContact O-N 3.12Å; L156-S158 VanDerWaalsContact O-N 3.17Å; S158-T160 PolarHBondContact O-N 3.13Å; S158-T160 VanDerWaalsContact O-N 3.09Å; S158-T160 PolarHBondContact OG-N 3.35Å; S158-T160 PolarHBondContact OG-OG1 2.83Å; S158-F161 PolarHBondContact O-N 3.14Å; S158-Q162 PolarHBondContact O-N 3.43Å
159P94.7Very high96Very high111 Ų11167.1 Ų67.172%0.72137%0.367SS*.Hα-helixtrans-53.3-31.5172.7-27.535.3000114F161 Q162P159-F161 PolarHBondContact O-N 2.96Å; P159-Q162 PolarHBondContact O-N 3.34Å
160T94.2Very high96Very high84 Ų8466.2 Ų66.252%0.51536%0.363SS..Hα-helixtrans-55.9-36.9176.8-58.10000112.5S158 R163S158-T160 PolarHBondContact O-N 3.13Å; S158-T160 VanDerWaalsContact O-N 3.09Å; S158-T160 PolarHBondContact OG-N 3.35Å; S158-T160 PolarHBondContact OG-OG1 2.83Å; T160-R163 WeakPolarHBondContact O-CG 3.49Å; T160-R163 PolarHBondContact O-NE 2.98Å
161F96.5Very high95.3Very high43 Ų4365 Ų6519%0.18937%0.368CS..Hα-helixtrans-99.1-33.9-179.5-65-54.7000112.7Y56 F58 L108 A155 L156 S158 P159 R163 F164Y56-F161 HydrophobicContact CE2-CD2 4.23Å; Y56-F161 AromaticContact CE2-CE2 3.96Å; Y56-F161 HydrophobicContact CE2-CE2 3.96Å; Y56-F161 HydrophobicContact CE2-CZ 4.17Å; Y56-F161 WeakPolarHBondContact OH-CE2 3.32Å; Y56-F161 WeakPolarHBondContact OH-CZ 3.49Å; F58-F161 WeakPolarHBondContact CE2-O 3.28Å; L108-F161 HydrophobicContact CB-CD1 3.8Å; L108-F161 HydrophobicContact CB-CE1 3.9Å; L108-F161 HydrophobicContact CD1-CB 4.13Å; L108-F161 HydrophobicContact CD1-CD1 3.9Å; L108-F161 HydrophobicContact CD1-CG 4.35Å; L108-F161 HydrophobicContact CG-CD1 4.3Å; A155-F161 WeakPolarHBondContact O-CD2 3.42Å; L156-F161 HydrophobicContact CD2-CB 4.01Å; L156-F161 HydrophobicContact CD2-CG 4.44Å; S158-F161 PolarHBondContact O-N 3.14Å; P159-F161 PolarHBondContact O-N 2.96Å; F161-R163 PolarHBondContact O-N 3.25Å; F161-F164 WeakPolarHBondContact O-CB 3.32Å; F161-F164 WeakPolarHBondContact O-CD2 3.45Å; F161-F164 PolarHBondContact O-N 3.4Å
162Q96.2Very high94Very high49 Ų4964.3 Ų64.323%0.22937%0.368CS..Hα-helixtrans-54-32.4-179.9-76-65-41.900113.5L156 S158 P159 F164 R165L156-Q162 WeakPolarHBondContact O-CG 3.36Å; L156-Q162 PolarHBondContact O-NE2 3.49Å; S158-Q162 PolarHBondContact O-N 3.43Å; P159-Q162 PolarHBondContact O-N 3.34Å; Q162-F164 PolarHBondContact O-N 3.27Å; Q162-R165 VanDerWaalsContact O-CB 3.29Å; Q162-R165 WeakPolarHBondContact O-CB 3.32Å; Q162-R165 PolarHBondContact O-N 3.04Å
163R94.9Very high92.2Very high172 Ų17269 Ų6965%0.64940%0.401SS*.G310 helixtrans-56.2-23.6175.470.9-178.8-178.2163.74.2114.9T160 F161 R165T160-R163 WeakPolarHBondContact O-CG 3.49Å; T160-R163 PolarHBondContact O-NE 2.98Å; F161-R163 PolarHBondContact O-N 3.25Å; R163-R165 VanDerWaalsContact C-N 3.31Å
164F96.9Very high90.1Very high21 Ų2168 Ų689%0.09240%0.4CS..G310 helixtrans-80.4-11.3179.2-71.8-86.6000113.1P13 F58 I106 L108 F161 Q162 D166 D167 F170P13-F164 HydrophobicContact CB-CE1 4.09Å; P13-F164 HydrophobicContact CB-CZ 4.33Å; P13-F164 HydrophobicContact CG-CE1 4.12Å; P13-F164 HydrophobicContact CG-CZ 4.26Å; F58-F164 HydrophobicContact CD2-CB 4.04Å; F58-F164 HydrophobicContact CE2-CB 4.25Å; I106-F164 HydrophobicContact CG2-CD1 4.27Å; L108-F164 HydrophobicContact CD1-CB 3.91Å; L108-F164 HydrophobicContact CD1-CD2 3.9Å; L108-F164 HydrophobicContact CD1-CG 4.02Å; L108-F164 HydrophobicContact CD2-CB 4.32Å; L108-F164 HydrophobicContact CD2-CD1 3.83Å; L108-F164 HydrophobicContact CD2-CD2 3.64Å; L108-F164 HydrophobicContact CD2-CE1 3.92Å; L108-F164 HydrophobicContact CD2-CE2 3.74Å; L108-F164 HydrophobicContact CD2-CG 3.67Å; L108-F164 HydrophobicContact CD2-CZ 3.88Å; L108-F164 HydrophobicContact CG-CD2 4.45Å; F161-F164 WeakPolarHBondContact O-CB 3.32Å; F161-F164 WeakPolarHBondContact O-CD2 3.45Å; F161-F164 PolarHBondContact O-N 3.4Å; Q162-F164 PolarHBondContact O-N 3.27Å; F164-D166 PolarHBondContact O-N 3.21Å; F164-D167 VanDerWaalsContact O-CB 3.29Å; F164-D167 WeakPolarHBondContact O-CB 3.37Å; F164-D167 PolarHBondContact O-N 2.98Å; F164-F170 WeakPolarHBondContact O-CE2 3.35Å
165R94.5Very high87.6Confident93 Ų9368.8 Ų68.835%0.35141%0.406SS..G310 helixtrans-62.2-31.7173.9-177.4178.2-96.8155.3-4.6111.5V66 Q162 R163V66-R165 HydrophobicContact CB-CG 4.1Å; V66-R165 HydrophobicContact CG1-CG 4.09Å; Q162-R165 VanDerWaalsContact O-CB 3.29Å; Q162-R165 WeakPolarHBondContact O-CB 3.32Å; Q162-R165 PolarHBondContact O-N 3.04Å; R163-R165 VanDerWaalsContact C-N 3.31Å
166D93.8Very high84.5Confident138 Ų13876.6 Ų76.674%0.73846%0.459SS*.G310 helixtrans-101.917.9-179.8-52.7-44.6000112.5F164 G168F164-D166 PolarHBondContact O-N 3.21Å; D166-G168 PolarHBondContact O-N 3.2Å
167D96Very high83.8Confident37 Ų3780.5 Ų80.520%0.19848%0.482CS..  trans-63.5131.8178.8-168.4-57.3000110.7Y15 I106 F164 F169 F170Y15-D167 PolarHBondContact OH-OD2 2.89Å; I106-D167 HydrophobicContact CD1-CB 3.73Å; F164-D167 VanDerWaalsContact O-CB 3.29Å; F164-D167 WeakPolarHBondContact O-CB 3.37Å; F164-D167 PolarHBondContact O-N 2.98Å; D167-F169 PolarHBondContact O-N 3.08Å; D167-F169 WeakPolarHBondContact OD1-CB 3.49Å; D167-F169 PolarHBondContact OD1-N 3.27Å; D167-F170 HydrophobicContact CB-CD2 4.43Å; D167-F170 PolarHBondContact O-N 2.85Å
168G94.9Very high83.2Confident47 Ų4781.2 Ų81.249%0.48548%0.479SS..G310 helixtrans-58-19.4-178.300000114.3D166 F170 C171D166-G168 PolarHBondContact O-N 3.2Å; G168-F170 PolarHBondContact O-N 3.04Å; G168-C171 PolarHBondContact O-N 3.05Å
169F96Very high82.5Confident42 Ų4283.2 Ų83.218%0.18449%0.488CS..G310 helixtrans-55.2-34.2172177.1-111.9000113.7Y15 C16 R104 I106 D167 C171Y15-F169 HydrophobicContact CD1-CB 3.8Å; Y15-F169 AromaticContact CD1-CD1 3.62Å; Y15-F169 HydrophobicContact CD1-CD1 3.62Å; Y15-F169 AromaticContact CD1-CD2 3.88Å; Y15-F169 HydrophobicContact CD1-CD2 3.88Å; Y15-F169 HydrophobicContact CD1-CE1 4.06Å; Y15-F169 HydrophobicContact CD1-CE2 4.34Å; Y15-F169 AromaticContact CD1-CG 3.49Å; Y15-F169 HydrophobicContact CD1-CG 3.49Å; Y15-F169 VanDerWaalsContact CD1-CG 3.49Å; Y15-F169 HydrophobicContact CD1-CZ 4.42Å; Y15-F169 HydrophobicContact CE1-CB 3.81Å; Y15-F169 HydrophobicContact CE1-CD1 4.27Å; Y15-F169 HydrophobicContact CE1-CG 4.04Å; C16-F169 WeakPolarHBondContact O-CZ 3.43Å; R104-F169 HydrophobicContact CB-CD1 4.3Å; R104-F169 HydrophobicContact CB-CE1 3.65Å; R104-F169 HydrophobicContact CB-CZ 4.1Å; R104-F169 WeakPolarHBondContact CD-O 3.24Å; R104-F169 HydrophobicContact CG-CE1 4.33Å; R104-F169 HydrophobicContact CG-CZ 4.37Å; R104-F169 PolarHBondContact NH1-O 3.02Å; R104-F169 VanDerWaalsContact NH1-O 3.1Å; I106-F169 HydrophobicContact CD1-CB 4.43Å; I106-F169 HydrophobicContact CD1-CD1 4.01Å; I106-F169 HydrophobicContact CG1-CD1 3.69Å; I106-F169 HydrophobicContact CG1-CE1 4.12Å; D167-F169 PolarHBondContact O-N 3.08Å; D167-F169 WeakPolarHBondContact OD1-CB 3.49Å; D167-F169 PolarHBondContact OD1-N 3.27Å; F169-C171 VanDerWaalsContact C-N 3.33Å
170F95.8Very high81.8Confident5 Ų581.6 Ų81.62%0.02247%0.474CS..G310 helixtrans-77.4-18.4178.1-68.6-52.2000113.5F58 N60 V66 R104 I106 F164 D167 G168F58-F170 HydrophobicContact CB-CE2 3.89Å; F58-F170 HydrophobicContact CB-CZ 3.7Å; N60-F170 HydrophobicContact CB-CD1 4.19Å; N60-F170 PolarHBondContact ND2-O 3.22Å; N60-F170 VanDerWaalsContact ND2-O 3.14Å; N60-F170 WeakPolarHBondContact OD1-CD1 3.33Å; V66-F170 HydrophobicContact CB-CD2 4.46Å; V66-F170 HydrophobicContact CG1-CD2 3.92Å; V66-F170 HydrophobicContact CG1-CE2 3.61Å; V66-F170 HydrophobicContact CG1-CZ 4Å; V66-F170 HydrophobicContact CG2-CB 3.87Å; V66-F170 HydrophobicContact CG2-CD1 4.32Å; V66-F170 HydrophobicContact CG2-CD2 3.62Å; V66-F170 HydrophobicContact CG2-CE2 4.19Å; V66-F170 HydrophobicContact CG2-CG 3.69Å; R104-F170 HydrophobicContact CB-CD1 4.01Å; R104-F170 HydrophobicContact CB-CE1 4.15Å; I106-F170 HydrophobicContact CB-CZ 4.21Å; I106-F170 HydrophobicContact CD1-CD2 4.04Å; I106-F170 HydrophobicContact CD1-CE1 4.32Å; I106-F170 HydrophobicContact CD1-CE2 3.35Å; I106-F170 HydrophobicContact CD1-CZ 3.52Å; I106-F170 HydrophobicContact CG1-CE1 4.11Å; I106-F170 HydrophobicContact CG1-CE2 3.94Å; I106-F170 HydrophobicContact CG1-CZ 3.51Å; F164-F170 WeakPolarHBondContact O-CE2 3.35Å; D167-F170 HydrophobicContact CB-CD2 4.43Å; D167-F170 PolarHBondContact O-N 2.85Å; G168-F170 PolarHBondContact O-N 3.04Å
171C82.2Confident81Confident106 Ų10681.4 Ų81.472%0.71647%0.472SS*.G310 helixtrans-93.2-8.1-175.5-61.50000114.1G168 F169 S173G168-C171 PolarHBondContact O-N 3.05Å; F169-C171 VanDerWaalsContact C-N 3.33Å; C171-S173 PolarHBondContact O-N 3.26Å; C171-S173 VanDerWaalsContact O-N 3.13Å
172C68.2Low80Confident67 Ų6784 Ų8445%0.45349%0.491SS..  trans-67.3115.5177.8-57.40000109.5R104R104-C172 VanDerWaalsContact CZ-O 3.31Å; R104-C172 PolarHBondContact NH2-O 2.87Å
173S59.5Low78.8Confident99 Ų9986.5 Ų86.569%0.69251%0.51SS*.  trans-57.5141.1167.349.90000109.2C171 S175C171-S173 PolarHBondContact O-N 3.26Å; C171-S173 VanDerWaalsContact O-N 3.13Å; S173-S175 VanDerWaalsContact C-N 3.3Å; S173-S175 PolarHBondContact O-N 3.19Å
174N54.6Low77.6Confident80 Ų8079.9 Ų79.943%0.42850%0.499SS..  trans-61.798.4170.4-67.2-19.6000107.1R104 S176R104-N174 PolarHBondContact NH2-OD1 3.09Å; N174-S176 PolarHBondContact O-N 3.35Å
175S43.9Very low76Confident112 Ų11284.8 Ų84.878%0.78353%0.533SS*.  trans-57124.5168.7-54.70000107S173S173-S175 VanDerWaalsContact C-N 3.3Å; S173-S175 PolarHBondContact O-N 3.19Å
176S32.4Very low74.3Confident192 Ų19284.1 Ų84.1100%1.34355%0.549SS*.  trans-53.30-172.9-47.90000114.5N174N174-S176 PolarHBondContact O-N 3.35Å

Retrieved 176 of 176 residues in 157 ms (Link to these results)

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