A0A096N4J5_PAPAN Loading...

Homocysteine-responsive endoplasmic reticulum-resident ubiquitin-like domain member 2 protein

Could be involved in the unfolded protein response (UPR) pathway.

AlphaFold DB (A0A2K6A0Y1), UniProt , Accession A0A096N4J5, Species PAPAN (Papio anubis, Olive baboon), Gene HERPUD2, Length 406 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
1M34.5Very low57.4Low227 Ų227119.9 Ų119.9100%1.11866%0.66SS**  085.10-87.8-176.1166.400106.1
2D38.6Very low60Low153 Ų153110 Ų11082%0.81861%0.605SS**  trans-111.2124.5-154.5-56.9-87.2000107.5S4D2-S4 PolarHBondContact O-N 3.41Å
3Q38.2Very low62.3Low199 Ų199103.9 Ų103.993%0.9357%0.571SS**  trans-70102.5-162.3-63.8178.11900110.1G5Q3-G5 PolarHBondContact O-N 2.89Å
4S44.4Very low64.2Low117 Ų11796.5 Ų96.582%0.81853%0.53SS*.  trans-70.372.9168.559.40000109.6D2 M6D2-S4 PolarHBondContact O-N 3.41Å; S4-M6 PolarHBondContact O-N 2.93Å
5G44.7Very low65.8Low55 Ų5593.7 Ų93.757%0.56751%0.51SS*.  trans-53.5130.9166.600000108.5Q3 E7Q3-G5 PolarHBondContact O-N 2.89Å; G5-E7 PolarHBondContact O-N 3.08Å
6M46.5Very low67Low180 Ų18089 Ų8989%0.88749%0.488SS*.  trans-65.3103.2-172.5-60.5175.5-164.300109.1S4 I8S4-M6 PolarHBondContact O-N 2.93Å; M6-I8 PolarHBondContact O-N 2.88Å
7E63.1Low67.5Low106 Ų10687.9 Ų87.950%0.49549%0.487SS..  trans-72.199.3-179.8-57.8-159.713200108.5G5 P9 F29 N31G5-E7 PolarHBondContact O-N 3.08Å; E7-P9 WeakPolarHBondContact O-CD 3.27Å; E7-F29 HydrophobicContact CB-CD1 3.65Å; E7-F29 HydrophobicContact CB-CE1 4.22Å; E7-F29 VanDerWaalsContact O-CD1 3.29Å; E7-F29 WeakPolarHBondContact O-CD1 3.29Å; E7-F29 WeakPolarHBondContact O-CE1 3.46Å; E7-N31 PolarHBondContact OE1-ND2 3.18Å; E7-N31 PolarHBondContact OE2-ND2 3.39Å
8I72.1Confident67.4Low132 Ų13290.8 Ų90.868%0.67750%0.501SS*.  trans-60.7119.8179.8-60.4163.6000108.1M6M6-I8 PolarHBondContact O-N 2.88Å
9P79.6Confident67.4Low74 Ų7494.4 Ų94.448%0.48151%0.514SS..EExtended strand (participates in β ladder)trans-71137.1175.730-33.5000109.6E7 F29E7-P9 WeakPolarHBondContact O-CD 3.27Å; P9-F29 HydrophobicContact CB-CD1 4.42Å; P9-F29 HydrophobicContact CB-CE1 4.07Å
10V83.8Confident67.4Low20 Ų2097.6 Ų97.612%0.12152%0.522CS..EExtended strand (participates in β ladder)trans-111.7137.7-178171.10000110.1L12 C28 L30 L73 H80V10-L12 PolarHBondContact O-N 3.06Å; V10-C28 PolarHBondContact N-O 2.99Å; V10-C28 PolarHBondContact O-N 3.43Å; V10-L30 HydrophobicContact CB-CD2 4.33Å; V10-L30 HydrophobicContact CB-CG 4.49Å; V10-L30 HydrophobicContact CG1-CD2 4.47Å; V10-L30 HydrophobicContact CG2-CD1 3.98Å; V10-L30 HydrophobicContact CG2-CD2 3.89Å; V10-L30 HydrophobicContact CG2-CG 3.71Å; V10-L73 HydrophobicContact CG1-CD1 4.32Å; V10-H80 VanDerWaalsContact CG1-CE1 3.46Å; V10-H80 WeakPolarHBondContact CG1-CE1 3.47Å; V10-H80 WeakPolarHBondContact CG1-ND1 3.46Å
11T86.4Confident67.7Low56 Ų5696.7 Ų96.734%0.34451%0.512SS..EExtended strand (participates in β ladder)trans-85.4104.9-171.6-570000110.9T25 Y79 H80T11-T25 HydrophobicContact CG2-CG2 3.49Å; T11-T25 VanDerWaalsContact CG2-CG2 3.49Å; T11-Y79 WeakPolarHBondContact O-CA 3.23Å; T11-H80 PolarHBondContact O-N 2.84Å
12L88.7Confident69.6Low1 Ų190.6 Ų90.61%0.00549%0.492CS..EExtended strand (participates in β ladder)trans-102119.7-178.7-158.369.8000110.3V10 I14 T25 I26 L37 L73 H80 V82V10-L12 PolarHBondContact O-N 3.06Å; L12-I14 HydrophobicContact CD2-CD1 3.82Å; L12-I14 HydrophobicContact CG-CD1 4.01Å; L12-T25 CarbonylContact O-C 3.59Å; L12-T25 WeakPolarHBondContact O-CA 3.38Å; L12-I26 WeakPolarHBondContact CB-O 3.37Å; L12-I26 PolarHBondContact N-O 2.94Å; L12-I26 PolarHBondContact O-N 2.99Å; L12-L37 HydrophobicContact CD2-CD1 3.72Å; L12-L37 HydrophobicContact CD2-CD2 3.5Å; L12-L37 HydrophobicContact CD2-CG 4.25Å; L12-L73 HydrophobicContact CD1-CD1 4.03Å; L12-L73 HydrophobicContact CD1-CD2 4.22Å; L12-H80 HydrophobicContact CD1-CB 3.75Å; L12-V82 HydrophobicContact CD1-CG2 3.51Å; L12-V82 HydrophobicContact CD2-CG2 4.38Å; L12-V82 HydrophobicContact CG-CG2 4.03Å
13I89.1Confident71.7Confident31 Ų3186.4 Ų86.416%0.15947%0.47CS..EExtended strand (participates in β ladder)trans-97.4111.7179.2-58.2176.5000108.8K15 D23 Y79 H80 V82I13-K15 HydrophobicContact CG2-CG 4.42Å; I13-D23 HydrophobicContact CG2-CB 4.04Å; I13-Y79 HydrophobicContact CD1-CD2 3.89Å; I13-Y79 HydrophobicContact CD1-CG 4.23Å; I13-H80 PolarHBondContact N-O 3.47Å; I13-V82 PolarHBondContact O-N 3.13Å
14I90Very high73.8Confident0 Ų080 Ų800%044%0.44CS..EExtended strand (participates in β ladder)trans-94113.9-178.1-53.3-62.9000110.8L12 Q24 I26 L41 Y45 V82 L84L12-I14 HydrophobicContact CD2-CD1 3.82Å; L12-I14 HydrophobicContact CG-CD1 4.01Å; I14-Q24 HydrophobicContact CB-CB 4.28Å; I14-Q24 WeakPolarHBondContact CB-O 3.48Å; I14-Q24 PolarHBondContact N-O 3.01Å; I14-Q24 PolarHBondContact O-N 3.03Å; I14-I26 HydrophobicContact CG1-CD1 3.76Å; I14-I26 HydrophobicContact CG1-CG1 4.36Å; I14-L41 HydrophobicContact CD1-CD2 4.03Å; I14-L41 HydrophobicContact CG1-CD2 3.8Å; I14-L41 HydrophobicContact CG2-CD2 4.35Å; I14-Y45 HydrophobicContact CG2-CD2 4.28Å; I14-Y45 HydrophobicContact CG2-CE2 4.09Å; I14-V82 WeakPolarHBondContact CA-O 3.41Å; I14-V82 HydrophobicContact CD1-CB 4.19Å; I14-L84 HydrophobicContact CG2-CB 3.56Å; I14-L84 HydrophobicContact CG2-CD2 3.9Å; I14-L84 HydrophobicContact CG2-CG 4.4Å
15K87.8Confident75.8Confident54 Ų5478.2 Ų78.224%0.23542%0.424CS..EExtended strand (participates in β ladder)trans-103.1131.1175.3-56.8-144.7174.1-153.50111.2I13 D23 M81 V82 H83 L84I13-K15 HydrophobicContact CG2-CG 4.42Å; K15-D23 WeakPolarHBondContact CD-OD1 3.42Å; K15-D23 WeakPolarHBondContact CE-OD1 3.34Å; K15-D23 WeakPolarHBondContact CE-OD2 3.48Å; K15-D23 VanDerWaalsContact CG-OD1 3.26Å; K15-D23 WeakPolarHBondContact CG-OD1 3.42Å; K15-D23 IonicContact NZ-OD1 2.65Å; K15-D23 IonicContact NZ-OD2 2.95Å; K15-D23 PolarHBondContact NZ-OD2 3.38Å; K15-M81 HydrophobicContact CD-CG 4.15Å; K15-M81 HydrophobicContact CD-SD 3.73Å; K15-M81 WeakPolarHBondContact CE-SD 3.11Å; K15-M81 HydrophobicContact CG-CG 3.98Å; K15-M81 HydrophobicContact CG-SD 4.24Å; K15-V82 PolarHBondContact N-O 2.88Å; K15-H83 CarbonylContact O-C 3.56Å; K15-H83 VanDerWaalsContact O-CA 3.25Å; K15-H83 WeakPolarHBondContact O-CA 3.26Å; K15-L84 PolarHBondContact O-N 3.44Å
16A84.3Confident77.8Confident19 Ų1976.1 Ų76.116%0.15740%0.4CS..  trans-84.5136.1167.600000110.1N18 Q19 Y45A16-N18 PolarHBondContact O-N 2.77Å; A16-N18 VanDerWaalsContact O-N 3.14Å; A16-Q19 PolarHBondContact O-N 2.85Å; A16-Y45 WeakPolarHBondContact CB-OH 3.43Å
17P75.9Confident79.6Confident71 Ų7171.6 Ų71.646%0.46139%0.386SS..THydrogen-bonded Turntrans-62.1-24.4179.427.7-36.8000113L84 V85P17-L84 WeakPolarHBondContact CD-O 3.41Å; P17-V85 HydrophobicContact CG-CG2 4.14Å
18N65.3Low80.6Confident139 Ų13966.6 Ų66.674%0.74336%0.362SS*.THydrogen-bonded Turntrans-89.90.4-179.3-57.615.4000112.9A16 K20A16-N18 PolarHBondContact O-N 2.77Å; A16-N18 VanDerWaalsContact O-N 3.14Å; N18-K20 PolarHBondContact O-N 2.95Å
19Q68.4Low81.3Confident159 Ų15963.6 Ų63.674%0.74334%0.344SS*.  trans47.112.9-175.1-145.9177.110.600116.9A16 Y21A16-Q19 PolarHBondContact O-N 2.85Å; Q19-Y21 PolarHBondContact O-N 3.06Å; Q19-Y21 VanDerWaalsContact O-N 3.09Å
20K67.1Low81.5Confident158 Ų15861.9 Ų61.969%0.68733%0.331SS*.  trans-62.8-19-175.5-177.3173.2178.8-179.50114.2N18N18-K20 PolarHBondContact O-N 2.95Å
21Y72.3Confident81.5Confident80 Ų8064 Ų6431%0.31434%0.342SS..SBendtrans-130.9148173.2-52.9-83.3000107.3Q19 Y45 P46Q19-Y21 PolarHBondContact O-N 3.06Å; Q19-Y21 VanDerWaalsContact O-N 3.09Å; Y21-Y45 HydrophobicContact CD2-CE1 4.1Å; Y21-P46 HydrophobicContact CD1-CB 4.13Å; Y21-P46 HydrophobicContact CD1-CG 3.67Å; Y21-P46 HydrophobicContact CE1-CB 4.25Å; Y21-P46 HydrophobicContact CE1-CG 4.23Å; Y21-P46 HydrophobicContact CG-CG 3.92Å
22S74.6Confident81.6Confident98 Ų9862.9 Ų62.969%0.68533%0.331SS*.  trans-57.5157.5174.751.90000112Q24S22-Q24 PolarHBondContact O-N 3.41Å
23D83.5Confident81.7Confident66 Ų6665.2 Ų65.235%0.35335%0.346SS..  trans-56.9123.2174.9-62.6-28.1000110I13 K15I13-D23 HydrophobicContact CG2-CB 4.04Å; K15-D23 WeakPolarHBondContact CD-OD1 3.42Å; K15-D23 WeakPolarHBondContact CE-OD1 3.34Å; K15-D23 WeakPolarHBondContact CE-OD2 3.48Å; K15-D23 VanDerWaalsContact CG-OD1 3.26Å; K15-D23 WeakPolarHBondContact CG-OD1 3.42Å; K15-D23 IonicContact NZ-OD1 2.65Å; K15-D23 IonicContact NZ-OD2 2.95Å; K15-D23 PolarHBondContact NZ-OD2 3.38Å
24Q82.6Confident81.8Confident65 Ų6563.8 Ų63.830%0.30434%0.338SS..EExtended strand (participates in β ladder)trans-102.3104.4-173.5-179.765.468.600109.9I14 S22 I26 Y45I14-Q24 HydrophobicContact CB-CB 4.28Å; I14-Q24 WeakPolarHBondContact CB-O 3.48Å; I14-Q24 PolarHBondContact N-O 3.01Å; I14-Q24 PolarHBondContact O-N 3.03Å; S22-Q24 PolarHBondContact O-N 3.41Å; Q24-I26 HydrophobicContact CG-CD1 4.24Å; Q24-I26 HydrophobicContact CG-CG1 4.05Å; Q24-Y45 HydrophobicContact CB-CD2 4.06Å; Q24-Y45 HydrophobicContact CB-CE2 3.93Å; Q24-Y45 HydrophobicContact CG-CD2 4.2Å
25T86.1Confident81.7Confident79 Ų7964.6 Ų64.649%0.48535%0.346SS..EExtended strand (participates in β ladder)trans-72.5135.5172-49.90000110.5T11 L12T11-T25 HydrophobicContact CG2-CG2 3.49Å; T11-T25 VanDerWaalsContact CG2-CG2 3.49Å; L12-T25 CarbonylContact O-C 3.59Å; L12-T25 WeakPolarHBondContact O-CA 3.38Å
26I86.7Confident81.8Confident11 Ų1167 Ų676%0.05636%0.357CS..EExtended strand (participates in β ladder)trans-140.5128.9-179-61.1178.3000109L12 I14 Q24 L41 V44L12-I26 WeakPolarHBondContact CB-O 3.37Å; L12-I26 PolarHBondContact N-O 2.94Å; L12-I26 PolarHBondContact O-N 2.99Å; I14-I26 HydrophobicContact CG1-CD1 3.76Å; I14-I26 HydrophobicContact CG1-CG1 4.36Å; Q24-I26 HydrophobicContact CG-CD1 4.24Å; Q24-I26 HydrophobicContact CG-CG1 4.05Å; I26-L41 HydrophobicContact CD1-CD2 3.35Å; I26-L41 HydrophobicContact CD1-CG 4.49Å; I26-V44 HydrophobicContact CD1-CG2 3.67Å; I26-V44 HydrophobicContact CG1-CG2 4.37Å
27S84.1Confident82.1Confident85 Ų8566.1 Ų66.159%0.59435%0.35SS*.EExtended strand (participates in β ladder)trans-79.1125.5166.645.40000110.2
28C83.9Confident82.8Confident0 Ų063.5 Ų63.50%033%0.331CS..EExtended strand (participates in β ladder)trans-138.3156.6178.967.80000110.9V10 W32 L37 L69V10-C28 PolarHBondContact N-O 2.99Å; V10-C28 PolarHBondContact O-N 3.43Å; C28-W32 HydrophobicContact CB-CE3 4.16Å; C28-W32 HydrophobicContact CB-CZ3 4.16Å; C28-L37 HydrophobicContact CB-CD1 4.47Å; C28-L69 HydrophobicContact CB-CD2 4.22Å; C28-L69 VanDerWaalsContact SG-CD2 3.51Å
29F86.4Confident83.9Confident70 Ų7060.3 Ų60.331%0.30732%0.317SS..EExtended strand (participates in β ladder)trans-100.7139.2-176-58.3-88000110.7E7 P9 N31 W32E7-F29 HydrophobicContact CB-CD1 3.65Å; E7-F29 HydrophobicContact CB-CE1 4.22Å; E7-F29 VanDerWaalsContact O-CD1 3.29Å; E7-F29 WeakPolarHBondContact O-CD1 3.29Å; E7-F29 WeakPolarHBondContact O-CE1 3.46Å; P9-F29 HydrophobicContact CB-CD1 4.42Å; P9-F29 HydrophobicContact CB-CE1 4.07Å; F29-N31 WeakPolarHBondContact CB-OD1 3.49Å; F29-N31 PolarHBondContact O-N 2.87Å; F29-N31 VanDerWaalsContact O-N 3.13Å; F29-W32 AromaticContact CD2-CE2 3.74Å; F29-W32 AromaticContact CD2-CZ2 3.66Å; F29-W32 HydrophobicContact CD2-CZ2 3.66Å; F29-W32 AromaticContact CD2-NE1 3.64Å; F29-W32 HydrophobicContact CE2-CZ2 4.17Å; F29-W32 WeakPolarHBondContact O-CB 3.16Å; F29-W32 PolarHBondContact O-N 3.25Å
30L84.9Confident84.9Confident38 Ų3855.6 Ų55.620%0.19930%0.295CS..THydrogen-bonded Turntrans-61-23.5-176.1-68.6174.2000113.7V10 W32 K70 L73V10-L30 HydrophobicContact CB-CD2 4.33Å; V10-L30 HydrophobicContact CB-CG 4.49Å; V10-L30 HydrophobicContact CG1-CD2 4.47Å; V10-L30 HydrophobicContact CG2-CD1 3.98Å; V10-L30 HydrophobicContact CG2-CD2 3.89Å; V10-L30 HydrophobicContact CG2-CG 3.71Å; L30-W32 VanDerWaalsContact C-N 3.26Å; L30-W32 PolarHBondContact O-N 2.94Å; L30-K70 HydrophobicContact CB-CB 3.93Å; L30-K70 WeakPolarHBondContact O-CB 3.48Å; L30-K70 PolarHBondContact O-N 2.9Å; L30-L73 HydrophobicContact CD2-CB 4.15Å; L30-L73 HydrophobicContact CD2-CD1 4.14Å
31N84Confident85.9Confident65 Ų6548.1 Ų48.135%0.34826%0.262SS..THydrogen-bonded Turntrans-72.6-11.7174.669.7-19.5000114E7 F29E7-N31 PolarHBondContact OE1-ND2 3.18Å; E7-N31 PolarHBondContact OE2-ND2 3.39Å; F29-N31 WeakPolarHBondContact CB-OD1 3.49Å; F29-N31 PolarHBondContact O-N 2.87Å; F29-N31 VanDerWaalsContact O-N 3.13Å
32W88.2Confident86.6Confident32 Ų3245.2 Ų45.212%0.12125%0.254CS..  trans-71.1147.4179.5-70.912000111.1C28 F29 L30 K36 H40 Q68 L69C28-W32 HydrophobicContact CB-CE3 4.16Å; C28-W32 HydrophobicContact CB-CZ3 4.16Å; F29-W32 AromaticContact CD2-CE2 3.74Å; F29-W32 AromaticContact CD2-CZ2 3.66Å; F29-W32 HydrophobicContact CD2-CZ2 3.66Å; F29-W32 AromaticContact CD2-NE1 3.64Å; F29-W32 HydrophobicContact CE2-CZ2 4.17Å; F29-W32 WeakPolarHBondContact O-CB 3.16Å; F29-W32 PolarHBondContact O-N 3.25Å; L30-W32 VanDerWaalsContact C-N 3.26Å; L30-W32 PolarHBondContact O-N 2.94Å; W32-K36 HydrophobicContact CB-CB 4.37Å; W32-K36 HydrophobicContact CB-CD 4.17Å; W32-K36 HydrophobicContact CB-CG 4.5Å; W32-K36 VanDerWaalsContact CD1-NZ 3.27Å; W32-K36 HydrophobicContact CD2-CD 3.9Å; W32-K36 HydrophobicContact CD2-CG 4.08Å; W32-K36 HydrophobicContact CE3-CG 4.29Å; W32-K36 HydrophobicContact CG-CD 3.65Å; W32-K36 HydrophobicContact CG-CG 4.16Å; W32-H40 HydrophobicContact CZ3-CB 3.95Å; W32-H40 AromaticContact CZ3-CG 3.93Å; W32-Q68 WeakPolarHBondContact O-CA 3.4Å; W32-L69 WeakPolarHBondContact O-CD1 3.48Å; W32-L69 PolarHBondContact O-N 3.34Å
33T91Very high87.1Confident50 Ų5046.1 Ų46.131%0.30725%0.251SS..BIsolated β-bridgetrans-80.7155.8163.9560000110.6G35 K36 L37 L67 Q68T33-G35 PolarHBondContact O-N 2.9Å; T33-K36 WeakPolarHBondContact O-CB 3.06Å; T33-K36 PolarHBondContact O-N 3.28Å; T33-K36 PolarHBondContact OG1-N 3.11Å; T33-L37 PolarHBondContact O-N 2.94Å; T33-L67 CarbonylContact C-O 3.56Å; T33-L67 WeakPolarHBondContact CA-O 3.49Å; T33-Q68 HydrophobicContact CG2-CG 4.28Å
34V90.4Very high87.2Confident0 Ų046 Ų460%025%0.253CS..Hα-helixtrans-54.8-36.5172.8171.40000111.4L37 K38 L56 L63 P64 L67 L69 I72V34-L37 WeakPolarHBondContact O-CB 3.32Å; V34-L37 PolarHBondContact O-N 3.41Å; V34-K38 WeakPolarHBondContact O-CG 3.41Å; V34-K38 PolarHBondContact O-N 3.22Å; V34-L56 HydrophobicContact CG1-CD1 4.12Å; V34-L63 HydrophobicContact CG1-CB 3.94Å; V34-L63 HydrophobicContact CG2-CB 3.97Å; V34-L63 HydrophobicContact CG2-CD1 4.47Å; V34-P64 WeakPolarHBondContact CB-O 3.47Å; V34-L67 HydrophobicContact CG2-CB 4.42Å; V34-L67 WeakPolarHBondContact CG2-O 3.29Å; V34-L67 PolarHBondContact N-O 3.46Å; V34-L69 HydrophobicContact CG2-CD1 4.19Å; V34-I72 HydrophobicContact CG2-CD1 3.52Å
35G88.8Confident87.2Confident17 Ų1743.1 Ų43.118%0.17524%0.239CC..Hα-helixtrans-63.5-38.6173.600000114.2T33 K38 T39 D65T33-G35 PolarHBondContact O-N 2.9Å; G35-K38 PolarHBondContact O-N 2.92Å; G35-T39 PolarHBondContact O-N 3.34Å; G35-T39 PolarHBondContact O-OG1 3.15Å; G35-D65 PolarHBondContact N-O 3.45Å
36K89.8Confident87Confident104 Ų10442.9 Ų42.945%0.45224%0.238SC..Hα-helixtrans-67.5-41.5174.1-173.4175.6176.2-170.50111.2W32 T33 T39 H40W32-K36 HydrophobicContact CB-CB 4.37Å; W32-K36 HydrophobicContact CB-CD 4.17Å; W32-K36 HydrophobicContact CB-CG 4.5Å; W32-K36 VanDerWaalsContact CD1-NZ 3.27Å; W32-K36 HydrophobicContact CD2-CD 3.9Å; W32-K36 HydrophobicContact CD2-CG 4.08Å; W32-K36 HydrophobicContact CE3-CG 4.29Å; W32-K36 HydrophobicContact CG-CD 3.65Å; W32-K36 HydrophobicContact CG-CG 4.16Å; T33-K36 WeakPolarHBondContact O-CB 3.06Å; T33-K36 PolarHBondContact O-N 3.28Å; T33-K36 PolarHBondContact OG1-N 3.11Å; K36-T39 PolarHBondContact O-N 3.25Å; K36-H40 PolarHBondContact O-N 3.32Å
37L89.9Confident86.5Confident2 Ų244.7 Ų44.71%0.0125%0.252CS..Hα-helixtrans-59-47.5172.2173.664.1000111.7L12 C28 T33 V34 T39 H40 L41 L56 L69L12-L37 HydrophobicContact CD2-CD1 3.72Å; L12-L37 HydrophobicContact CD2-CD2 3.5Å; L12-L37 HydrophobicContact CD2-CG 4.25Å; C28-L37 HydrophobicContact CB-CD1 4.47Å; T33-L37 PolarHBondContact O-N 2.94Å; V34-L37 WeakPolarHBondContact O-CB 3.32Å; V34-L37 PolarHBondContact O-N 3.41Å; L37-T39 VanDerWaalsContact C-N 3.26Å; L37-T39 PolarHBondContact O-N 3.31Å; L37-H40 WeakPolarHBondContact O-CB 3.39Å; L37-H40 PolarHBondContact O-N 3.09Å; L37-H40 VanDerWaalsContact O-N 3.11Å; L37-L41 HydrophobicContact CD1-CD1 4.31Å; L37-L41 HydrophobicContact CD1-CG 4.3Å; L37-L41 HydrophobicContact CG-CD1 4.03Å; L37-L41 HydrophobicContact CG-CG 4.47Å; L37-L41 WeakPolarHBondContact O-CG 3.36Å; L37-L41 PolarHBondContact O-N 2.81Å; L37-L56 HydrophobicContact CD2-CD1 3.73Å; L37-L56 HydrophobicContact CG-CD1 4.1Å; L37-L69 HydrophobicContact CB-CD1 4.34Å; L37-L69 HydrophobicContact CD2-CD1 4.24Å; L37-L69 HydrophobicContact CD2-CD2 4.36Å
38K90.8Very high86.4Confident15 Ų1547.9 Ų47.97%0.06526%0.255CS..Hα-helixtrans-57.6-38.5175-72.8-178.9-179.2-176.10113V34 G35 H40 L41 S42 T51 Q54 L56 D65V34-K38 WeakPolarHBondContact O-CG 3.41Å; V34-K38 PolarHBondContact O-N 3.22Å; G35-K38 PolarHBondContact O-N 2.92Å; K38-H40 VanDerWaalsContact C-N 3.34Å; K38-L41 WeakPolarHBondContact O-CB 3.3Å; K38-L41 PolarHBondContact O-N 3.47Å; K38-S42 PolarHBondContact O-N 2.99Å; K38-S42 PolarHBondContact O-OG 2.99Å; K38-T51 HydrophobicContact CB-CG2 4.39Å; K38-Q54 VanDerWaalsContact CB-OE1 3.31Å; K38-Q54 HydrophobicContact CD-CB 4.09Å; K38-Q54 VanDerWaalsContact CE-O 3.23Å; K38-Q54 WeakPolarHBondContact CE-O 3.45Å; K38-Q54 HydrophobicContact CG-CB 4.18Å; K38-Q54 PolarHBondContact NZ-O 3.34Å; K38-Q54 PolarHBondContact O-NE2 2.95Å; K38-Q54 PolarHBondContact O-OE1 3.26Å; K38-L56 HydrophobicContact CG-CD1 3.67Å; K38-L56 HydrophobicContact CG-CG 4.31Å; K38-D65 WeakPolarHBondContact CD-OD1 3.42Å; K38-D65 WeakPolarHBondContact CE-OD1 3.49Å; K38-D65 IonicContact NZ-OD1 3.69Å; K38-D65 PolarHBondContact NZ-OD1 3.02Å
39T89.3Confident86.4Confident73 Ų7348.5 Ų48.545%0.44826%0.259SS..Hα-helixtrans-70.4-32.2178.6-52.70000111.8G35 K36 L37 S42 N43G35-T39 PolarHBondContact O-N 3.34Å; G35-T39 PolarHBondContact O-OG1 3.15Å; K36-T39 PolarHBondContact O-N 3.25Å; L37-T39 VanDerWaalsContact C-N 3.26Å; L37-T39 PolarHBondContact O-N 3.31Å; T39-S42 WeakPolarHBondContact CA-OG 3.45Å; T39-S42 PolarHBondContact O-OG 3.47Å; T39-N43 PolarHBondContact O-ND2 3.39Å
40H88.7Confident86.3Confident60 Ų6049.7 Ų49.728%0.27827%0.268SS..Hα-helixtrans-68.4-45.9169.2-173.579.4000111.2W32 K36 L37 K38 S42 N43 V44W32-H40 HydrophobicContact CZ3-CB 3.95Å; W32-H40 AromaticContact CZ3-CG 3.93Å; K36-H40 PolarHBondContact O-N 3.32Å; L37-H40 WeakPolarHBondContact O-CB 3.39Å; L37-H40 PolarHBondContact O-N 3.09Å; L37-H40 VanDerWaalsContact O-N 3.11Å; K38-H40 VanDerWaalsContact C-N 3.34Å; H40-S42 VanDerWaalsContact C-N 3.34Å; H40-S42 PolarHBondContact O-N 3.37Å; H40-N43 WeakPolarHBondContact O-CB 3.28Å; H40-N43 PolarHBondContact O-N 3.34Å; H40-V44 PolarHBondContact O-N 2.92Å; H40-V44 VanDerWaalsContact O-N 3.07Å
41L88.6Confident86.4Confident0 Ų050.2 Ų50.20%027%0.273CS..Hα-helixtrans-58.5-38.2178-71.8167.8000113.7I14 I26 L37 K38 N43 Y45 L56 L84I14-L41 HydrophobicContact CD1-CD2 4.03Å; I14-L41 HydrophobicContact CG1-CD2 3.8Å; I14-L41 HydrophobicContact CG2-CD2 4.35Å; I26-L41 HydrophobicContact CD1-CD2 3.35Å; I26-L41 HydrophobicContact CD1-CG 4.49Å; L37-L41 HydrophobicContact CD1-CD1 4.31Å; L37-L41 HydrophobicContact CD1-CG 4.3Å; L37-L41 HydrophobicContact CG-CD1 4.03Å; L37-L41 HydrophobicContact CG-CG 4.47Å; L37-L41 WeakPolarHBondContact O-CG 3.36Å; L37-L41 PolarHBondContact O-N 2.81Å; K38-L41 WeakPolarHBondContact O-CB 3.3Å; K38-L41 PolarHBondContact O-N 3.47Å; L41-N43 PolarHBondContact O-N 2.85Å; L41-N43 VanDerWaalsContact O-N 3.14Å; L41-Y45 WeakPolarHBondContact O-CB 3.21Å; L41-Y45 PolarHBondContact O-N 3.06Å; L41-L56 HydrophobicContact CD1-CD1 3.9Å; L41-L56 HydrophobicContact CD1-CD2 3.67Å; L41-L56 HydrophobicContact CD1-CG 4.3Å; L41-L84 HydrophobicContact CD2-CD2 4.48Å
42S87.2Confident86.4Confident20 Ų2052.4 Ų52.414%0.1428%0.28CS..Hα-helixtrans-62-20.5175.643.80000113.6K38 T39 H40 P49K38-S42 PolarHBondContact O-N 2.99Å; K38-S42 PolarHBondContact O-OG 2.99Å; T39-S42 WeakPolarHBondContact CA-OG 3.45Å; T39-S42 PolarHBondContact O-OG 3.47Å; H40-S42 VanDerWaalsContact C-N 3.34Å; H40-S42 PolarHBondContact O-N 3.37Å; S42-P49 VanDerWaalsContact CB-O 3.26Å; S42-P49 WeakPolarHBondContact CB-O 3.28Å
43N85.1Confident86.3Confident116 Ų11651.8 Ų51.862%0.6228%0.279SS*.Hα-helixtrans-96.7-44.1-179.5-60.9-22.4000112.3T39 H40 L41T39-N43 PolarHBondContact O-ND2 3.39Å; H40-N43 WeakPolarHBondContact O-CB 3.28Å; H40-N43 PolarHBondContact O-N 3.34Å; L41-N43 PolarHBondContact O-N 2.85Å; L41-N43 VanDerWaalsContact O-N 3.14Å
44V85.1Confident86.2Confident65 Ų6549.4 Ų49.439%0.39426%0.264SS..Hα-helixtrans-91-24.1-173.5-54.50000114.4I26 H40I26-V44 HydrophobicContact CD1-CG2 3.67Å; I26-V44 HydrophobicContact CG1-CG2 4.37Å; H40-V44 PolarHBondContact O-N 2.92Å; H40-V44 VanDerWaalsContact O-N 3.07Å
45Y83.1Confident86.1Confident4 Ų455.1 Ų55.12%0.01629%0.286CS..SBendtrans-81.3134.6-176.9-163.6-95000111.2I14 A16 Y21 Q24 L41 S47 K48 P49 L84I14-Y45 HydrophobicContact CG2-CD2 4.28Å; I14-Y45 HydrophobicContact CG2-CE2 4.09Å; A16-Y45 WeakPolarHBondContact CB-OH 3.43Å; Y21-Y45 HydrophobicContact CD2-CE1 4.1Å; Q24-Y45 HydrophobicContact CB-CD2 4.06Å; Q24-Y45 HydrophobicContact CB-CE2 3.93Å; Q24-Y45 HydrophobicContact CG-CD2 4.2Å; L41-Y45 WeakPolarHBondContact O-CB 3.21Å; L41-Y45 PolarHBondContact O-N 3.06Å; Y45-S47 VanDerWaalsContact C-N 3.29Å; Y45-S47 VanDerWaalsContact CD1-OG 3.26Å; Y45-S47 WeakPolarHBondContact CD1-OG 3.35Å; Y45-S47 WeakPolarHBondContact CE1-OG 3.12Å; Y45-S47 PolarHBondContact O-N 3.2Å; Y45-S47 VanDerWaalsContact O-N 3.12Å; Y45-K48 PolarHBondContact O-N 3.33Å; Y45-P49 HydrophobicContact CD1-CG 4.43Å; Y45-L84 HydrophobicContact CD1-CD2 4.17Å; Y45-L84 HydrophobicContact CD2-CD2 4.16Å; Y45-L84 HydrophobicContact CE1-CD2 4.4Å; Y45-L84 HydrophobicContact CE2-CD2 4.4Å; Y45-L84 HydrophobicContact CG-CD2 4.06Å
46P80.1Confident86.2Confident73 Ų7354.3 Ų54.347%0.47428%0.277SS..THydrogen-bonded Turntrans-62.3-26.2-167.420.9-34000115.4Y21 K48Y21-P46 HydrophobicContact CD1-CB 4.13Å; Y21-P46 HydrophobicContact CD1-CG 3.67Å; Y21-P46 HydrophobicContact CE1-CB 4.25Å; Y21-P46 HydrophobicContact CE1-CG 4.23Å; Y21-P46 HydrophobicContact CG-CG 3.92Å; P46-K48 VanDerWaalsContact C-N 3.33Å
47S78.1Confident86.3Confident49 Ų4951 Ų5134%0.34327%0.266SS..THydrogen-bonded Turntrans-84.3-1.9174.666.90000114.7Y45Y45-S47 VanDerWaalsContact C-N 3.29Å; Y45-S47 VanDerWaalsContact CD1-OG 3.26Å; Y45-S47 WeakPolarHBondContact CD1-OG 3.35Å; Y45-S47 WeakPolarHBondContact CE1-OG 3.12Å; Y45-S47 PolarHBondContact O-N 3.2Å; Y45-S47 VanDerWaalsContact O-N 3.12Å
48K81.3Confident86.3Confident152 Ų15252 Ų5266%0.66127%0.269SS*.  trans41.255.1-178.8-62.1-174.1177.2-179.30114.1Y45 P46 L50Y45-K48 PolarHBondContact O-N 3.33Å; P46-K48 VanDerWaalsContact C-N 3.33Å; K48-L50 PolarHBondContact O-N 3.4Å
49P83Confident86Confident13 Ų1355.7 Ų55.78%0.08430%0.298CS..  trans-69.3133.5-173.429.6-33.9000110.8S42 Y45 Q54 L84 C86S42-P49 VanDerWaalsContact CB-O 3.26Å; S42-P49 WeakPolarHBondContact CB-O 3.28Å; Y45-P49 HydrophobicContact CD1-CG 4.43Å; P49-Q54 HydrophobicContact CB-CG 3.94Å; P49-Q54 HydrophobicContact CG-CG 3.92Å; P49-Q54 PolarHBondContact O-NE2 2.98Å; P49-L84 HydrophobicContact CG-CD2 4.27Å; P49-C86 HydrophobicContact CB-CB 4.4Å; P49-C86 WeakPolarHBondContact CB-SG 3.16Å
50L85.8Confident85.7Confident95 Ų9555.7 Ų55.750%0.49731%0.312SS..  trans-65.4135.7-179.4-176.559.8000110.9K48 K52 D53 Q54K48-L50 PolarHBondContact O-N 3.4Å; L50-K52 VanDerWaalsContact C-N 3.27Å; L50-K52 HydrophobicContact CD2-CD 3.79Å; L50-K52 HydrophobicContact CD2-CG 4.11Å; L50-K52 HydrophobicContact CG-CD 4.37Å; L50-K52 HydrophobicContact CG-CG 4.16Å; L50-K52 PolarHBondContact O-N 2.95Å; L50-K52 VanDerWaalsContact O-N 3.1Å; L50-D53 WeakPolarHBondContact O-CA 3.38Å; L50-D53 WeakPolarHBondContact O-CB 3.27Å; L50-D53 PolarHBondContact O-N 3.43Å; L50-Q54 PolarHBondContact O-N 2.99Å
51T86.3Confident85.6Confident50 Ų5062.2 Ų62.231%0.30733%0.334SS..G310 helixtrans-50.4-40.3-171.750.90000114.7K38 D53 Q54K38-T51 HydrophobicContact CB-CG2 4.39Å; T51-D53 PolarHBondContact O-N 3.12Å; T51-Q54 PolarHBondContact O-N 3.44Å
52K83.9Confident85.6Confident110 Ų11066.9 Ų66.948%0.47836%0.358SS..G310 helixtrans-61.9-29.2177.182.9-175.8-168.3-178.10113.6L50 R89L50-K52 VanDerWaalsContact C-N 3.27Å; L50-K52 HydrophobicContact CD2-CD 3.79Å; L50-K52 HydrophobicContact CD2-CG 4.11Å; L50-K52 HydrophobicContact CG-CD 4.37Å; L50-K52 HydrophobicContact CG-CG 4.16Å; L50-K52 PolarHBondContact O-N 2.95Å; L50-K52 VanDerWaalsContact O-N 3.1Å; K52-R89 WeakPolarHBondContact CE-O 3.38Å; K52-R89 PolarHBondContact NZ-O 2.98Å
53D85.9Confident85.8Confident19 Ų1966.5 Ų66.510%0.10236%0.355CS..G310 helixtrans-95.6-9.7-174.9-63.1-44.6000111.3L50 T51 C86 T87L50-D53 WeakPolarHBondContact O-CA 3.38Å; L50-D53 WeakPolarHBondContact O-CB 3.27Å; L50-D53 PolarHBondContact O-N 3.43Å; T51-D53 PolarHBondContact O-N 3.12Å; D53-C86 CarbonylContact O-C 3.59Å; D53-C86 WeakPolarHBondContact O-CA 3.22Å; D53-T87 WeakPolarHBondContact CB-O 3.39Å; D53-T87 PolarHBondContact O-N 3.07Å; D53-T87 PolarHBondContact O-OG1 3.34Å
54Q89.5Confident86Confident1 Ų163.4 Ų63.41%0.00534%0.341CS..EExtended strand (participates in β ladder)trans-80.5128175.2-63.1-179.531.400111.5K38 P49 L50 T51 L84K38-Q54 VanDerWaalsContact CB-OE1 3.31Å; K38-Q54 HydrophobicContact CD-CB 4.09Å; K38-Q54 VanDerWaalsContact CE-O 3.23Å; K38-Q54 WeakPolarHBondContact CE-O 3.45Å; K38-Q54 HydrophobicContact CG-CB 4.18Å; K38-Q54 PolarHBondContact NZ-O 3.34Å; K38-Q54 PolarHBondContact O-NE2 2.95Å; K38-Q54 PolarHBondContact O-OE1 3.26Å; P49-Q54 HydrophobicContact CB-CG 3.94Å; P49-Q54 HydrophobicContact CG-CG 3.92Å; P49-Q54 PolarHBondContact O-NE2 2.98Å; L50-Q54 PolarHBondContact O-N 2.99Å; T51-Q54 PolarHBondContact O-N 3.44Å; Q54-L84 HydrophobicContact CB-CD1 3.9Å; Q54-L84 HydrophobicContact CG-CD1 3.97Å
55R89Confident86.2Confident120 Ų12064.2 Ų64.245%0.45334%0.343SS..EExtended strand (participates in β ladder)trans-120.3122.5168-66.8175.6-176.7-108.3-6.6108.2L62 V85R55-L62 HydrophobicContact CB-CD1 3.8Å; R55-L62 HydrophobicContact CG-CD1 4.24Å; R55-V85 HydrophobicContact CB-CB 4.2Å; R55-V85 PolarHBondContact N-O 3.25Å; R55-V85 PolarHBondContact O-N 3.43Å
56L90.8Very high86.4Confident0 Ų071.1 Ų71.10%038%0.375CS..EExtended strand (participates in β ladder)trans-101.9131.6178.5-69.9170.1000109.1V34 L37 K38 L41 L63 V82 H83 L84V34-L56 HydrophobicContact CG1-CD1 4.12Å; L37-L56 HydrophobicContact CD2-CD1 3.73Å; L37-L56 HydrophobicContact CG-CD1 4.1Å; K38-L56 HydrophobicContact CG-CD1 3.67Å; K38-L56 HydrophobicContact CG-CG 4.31Å; L41-L56 HydrophobicContact CD1-CD1 3.9Å; L41-L56 HydrophobicContact CD1-CD2 3.67Å; L41-L56 HydrophobicContact CD1-CG 4.3Å; L56-L63 HydrophobicContact CB-CB 4.22Å; L56-L63 HydrophobicContact CB-CD1 4.22Å; L56-L63 PolarHBondContact O-N 3.43Å; L56-V82 HydrophobicContact CB-CG1 3.94Å; L56-V82 HydrophobicContact CD2-CG1 3.77Å; L56-V82 HydrophobicContact CG-CG1 4.41Å; L56-H83 WeakPolarHBondContact CA-O 3.48Å; L56-L84 HydrophobicContact CD2-CB 4.13Å; L56-L84 HydrophobicContact CD2-CD1 3.89Å
57V90.9Very high86.8Confident34 Ų3470.4 Ų70.421%0.20637%0.367CS..EExtended strand (participates in β ladder)trans-127119.9-178.8-1780000109.3R61 L62 H83 V85V57-R61 VanDerWaalsContact CA-O 3.3Å; V57-R61 WeakPolarHBondContact CA-O 3.39Å; V57-L62 HydrophobicContact CG2-CD1 4.21Å; V57-H83 HydrophobicContact CB-CB 4.35Å; V57-H83 PolarHBondContact N-O 3.45Å; V57-H83 PolarHBondContact O-N 2.88Å; V57-V85 HydrophobicContact CG2-CG2 4.5Å
58Y90.1Very high87.4Confident22 Ų2271.2 Ų71.29%0.08637%0.365CS..EExtended strand (participates in β ladder)trans-120.2128.9178171.9-105.7000108.9G60 R61 I72 L73 D77 H80 M81 V82Y58-G60 PolarHBondContact O-N 2.79Å; Y58-G60 VanDerWaalsContact O-N 3.13Å; Y58-R61 PolarHBondContact N-O 3.48Å; Y58-R61 PolarHBondContact O-N 2.89Å; Y58-I72 HydrophobicContact CD1-CG2 3.5Å; Y58-I72 VanDerWaalsContact CD1-CG2 3.5Å; Y58-I72 HydrophobicContact CE1-CG2 4.02Å; Y58-I72 VanDerWaalsContact CE1-O 3.32Å; Y58-I72 WeakPolarHBondContact CE1-O 3.39Å; Y58-I72 HydrophobicContact CG-CG2 4.16Å; Y58-L73 HydrophobicContact CD1-CD2 4.48Å; Y58-L73 HydrophobicContact CD2-CD2 4.14Å; Y58-L73 HydrophobicContact CE1-CD2 4.32Å; Y58-L73 HydrophobicContact CE2-CD2 3.99Å; Y58-L73 HydrophobicContact CG-CD2 4.39Å; Y58-D77 PolarHBondContact OH-OD2 3.41Å; Y58-H80 HydrophobicContact CE2-CB 4.03Å; Y58-M81 WeakPolarHBondContact CD2-O 3.39Å; Y58-V82 HydrophobicContact CD2-CG2 4.01Å; Y58-V82 HydrophobicContact CG-CG2 4.48Å
59S83.4Confident87.6Confident94 Ų9464.2 Ų64.266%0.65734%0.335SS*.THydrogen-bonded Turntrans45.345-177.2-52.70000113.5R61S59-R61 VanDerWaalsContact C-N 3.27Å; S59-R61 PolarHBondContact O-N 3.48Å
60G83.6Confident87.7Confident72 Ų7268.3 Ų68.374%0.74235%0.351SS*.THydrogen-bonded Turntrans76.8-4.4-178.500000116.3Y58Y58-G60 PolarHBondContact O-N 2.79Å; Y58-G60 VanDerWaalsContact O-N 3.13Å
61R86.6Confident87.6Confident197 Ų19768.6 Ų68.674%0.74335%0.353SS*.EExtended strand (participates in β ladder)trans-99.9129.5-178.3-59.8-177.4-180-166.9-1.3111.8V57 Y58 S59 L63V57-R61 VanDerWaalsContact CA-O 3.3Å; V57-R61 WeakPolarHBondContact CA-O 3.39Å; Y58-R61 PolarHBondContact N-O 3.48Å; Y58-R61 PolarHBondContact O-N 2.89Å; S59-R61 VanDerWaalsContact C-N 3.27Å; S59-R61 PolarHBondContact O-N 3.48Å; R61-L63 PolarHBondContact O-N 3.49Å
62L89.8Confident87.4Confident98 Ų9867.4 Ų67.451%0.51335%0.345SS..EExtended strand (participates in β ladder)trans-69.6126.2171.8179.367.6000110.1R55 V57 P64R55-L62 HydrophobicContact CB-CD1 3.8Å; R55-L62 HydrophobicContact CG-CD1 4.24Å; V57-L62 HydrophobicContact CG2-CD1 4.21Å; L62-P64 WeakPolarHBondContact O-CD 3.25Å
63L89.9Confident87.4Confident12 Ų1262.5 Ų62.56%0.06332%0.324CS..EExtended strand (participates in β ladder)trans-90.6119.6-178.5-57.5-175.8000111.1V34 L56 R61 I72 V82V34-L63 HydrophobicContact CG1-CB 3.94Å; V34-L63 HydrophobicContact CG2-CB 3.97Å; V34-L63 HydrophobicContact CG2-CD1 4.47Å; L56-L63 HydrophobicContact CB-CB 4.22Å; L56-L63 HydrophobicContact CB-CD1 4.22Å; L56-L63 PolarHBondContact O-N 3.43Å; R61-L63 PolarHBondContact O-N 3.49Å; L63-I72 HydrophobicContact CD1-CD1 4.28Å; L63-I72 HydrophobicContact CD1-CG2 4.18Å; L63-I72 HydrophobicContact CD2-CD1 3.98Å; L63-I72 HydrophobicContact CD2-CG1 4.18Å; L63-I72 HydrophobicContact CD2-CG2 3.6Å; L63-V82 HydrophobicContact CD1-CG1 4.49Å
64P89.6Confident86.9Confident51 Ų5169.7 Ų69.733%0.33135%0.35SS..PPolyproline II helixtrans-88.5148.4177.535.8-33.9000111.9V34 L62 H66 L67V34-P64 WeakPolarHBondContact CB-O 3.47Å; L62-P64 WeakPolarHBondContact O-CD 3.25Å; P64-H66 PolarHBondContact O-N 3.38Å; P64-L67 HydrophobicContact CG-CB 4.13Å; P64-L67 HydrophobicContact CG-CD2 4.44Å; P64-L67 WeakPolarHBondContact O-CB 3.44Å; P64-L67 PolarHBondContact O-N 2.95Å; P64-L67 VanDerWaalsContact O-N 3.08Å
65D88.9Confident85.9Confident82 Ų8278.1 Ų78.144%0.43939%0.386SS..THydrogen-bonded Turntrans-61.2-23.7-165.2-60.5-12.7000115.5G35 K38G35-D65 PolarHBondContact N-O 3.45Å; K38-D65 WeakPolarHBondContact CD-OD1 3.42Å; K38-D65 WeakPolarHBondContact CE-OD1 3.49Å; K38-D65 IonicContact NZ-OD1 3.69Å; K38-D65 PolarHBondContact NZ-OD1 3.02Å
66H87.1Confident84.6Confident150 Ų15081 Ų8169%0.69441%0.405SS*.THydrogen-bonded Turntrans-81.8-17.5-178.960.1-106.8000114.1P64P64-H66 PolarHBondContact O-N 3.38Å
67L89.3Confident83.7Confident58 Ų5883.9 Ų83.930%0.30442%0.42SS..SBendtrans-77.9145.4-174.9-167.158.7000110.4T33 V34 P64 D71 I72T33-L67 CarbonylContact C-O 3.56Å; T33-L67 WeakPolarHBondContact CA-O 3.49Å; V34-L67 HydrophobicContact CG2-CB 4.42Å; V34-L67 WeakPolarHBondContact CG2-O 3.29Å; V34-L67 PolarHBondContact N-O 3.46Å; P64-L67 HydrophobicContact CG-CB 4.13Å; P64-L67 HydrophobicContact CG-CD2 4.44Å; P64-L67 WeakPolarHBondContact O-CB 3.44Å; P64-L67 PolarHBondContact O-N 2.95Å; P64-L67 VanDerWaalsContact O-N 3.08Å; L67-D71 HydrophobicContact CD1-CB 4.27Å; L67-I72 HydrophobicContact CB-CD1 4.14Å; L67-I72 HydrophobicContact CD2-CD1 3.75Å; L67-I72 HydrophobicContact CD2-CG1 3.47Å; L67-I72 VanDerWaalsContact CD2-CG1 3.47Å; L67-I72 HydrophobicContact CG-CD1 3.73Å; L67-I72 HydrophobicContact CG-CG1 3.69Å
68Q90.3Very high82.7Confident66 Ų6690.3 Ų90.331%0.30845%0.448SS..BIsolated β-bridgetrans-93.8144-179.4-54.7-175.23.800110.7W32 T33 K70 D71 I72W32-Q68 WeakPolarHBondContact O-CA 3.4Å; T33-Q68 HydrophobicContact CG2-CG 4.28Å; Q68-K70 HydrophobicContact CB-CD 4.43Å; Q68-K70 HydrophobicContact CB-CG 4.23Å; Q68-K70 PolarHBondContact O-N 3.31Å; Q68-D71 WeakPolarHBondContact CB-OD2 3.29Å; Q68-D71 PolarHBondContact O-N 2.96Å; Q68-I72 WeakPolarHBondContact O-CD1 3.27Å
69L86.3Confident82.2Confident4 Ų495.5 Ų95.52%0.02147%0.468CS..G310 helixtrans-57.9-37.5-177.7-92.562.3000112C28 W32 V34 L37 D71 I72 L73C28-L69 HydrophobicContact CB-CD2 4.22Å; C28-L69 VanDerWaalsContact SG-CD2 3.51Å; W32-L69 WeakPolarHBondContact O-CD1 3.48Å; W32-L69 PolarHBondContact O-N 3.34Å; V34-L69 HydrophobicContact CG2-CD1 4.19Å; L37-L69 HydrophobicContact CB-CD1 4.34Å; L37-L69 HydrophobicContact CD2-CD1 4.24Å; L37-L69 HydrophobicContact CD2-CD2 4.36Å; L69-D71 PolarHBondContact O-N 2.84Å; L69-D71 VanDerWaalsContact O-N 3.16Å; L69-I72 PolarHBondContact O-N 3.3Å; L69-I72 VanDerWaalsContact O-N 3.09Å; L69-L73 HydrophobicContact CB-CD1 4.08Å; L69-L73 HydrophobicContact CB-CG 4.45Å; L69-L73 HydrophobicContact CD2-CD1 4.15Å; L69-L73 HydrophobicContact CG-CD1 4.05Å; L69-L73 WeakPolarHBondContact O-CB 3.48Å; L69-L73 WeakPolarHBondContact O-CG 3.25Å; L69-L73 PolarHBondContact O-N 3.23Å
70K84.4Confident82.4Confident99 Ų9991.2 Ų91.243%0.4344%0.438SS..G310 helixtrans-57-26175.783.1-166.9-170.7-164.20115L30 Q68L30-K70 HydrophobicContact CB-CB 3.93Å; L30-K70 WeakPolarHBondContact O-CB 3.48Å; L30-K70 PolarHBondContact O-N 2.9Å; Q68-K70 HydrophobicContact CB-CD 4.43Å; Q68-K70 HydrophobicContact CB-CG 4.23Å; Q68-K70 PolarHBondContact O-N 3.31Å
71D83.5Confident82.6Confident101 Ų10191.6 Ų91.654%0.5442%0.421SS..G310 helixtrans-94.7-7.7-176.1-53.7-43.6000111.3L67 Q68 L69L67-D71 HydrophobicContact CD1-CB 4.27Å; Q68-D71 WeakPolarHBondContact CB-OD2 3.29Å; Q68-D71 PolarHBondContact O-N 2.96Å; L69-D71 PolarHBondContact O-N 2.84Å; L69-D71 VanDerWaalsContact O-N 3.16Å
72I83.5Confident82.8Confident25 Ų2582.2 Ų82.213%0.12839%0.386CS..THydrogen-bonded Turntrans-108.7-53-177.8-59.6159000110.2V34 Y58 L63 L67 Q68 L69V34-I72 HydrophobicContact CG2-CD1 3.52Å; Y58-I72 HydrophobicContact CD1-CG2 3.5Å; Y58-I72 VanDerWaalsContact CD1-CG2 3.5Å; Y58-I72 HydrophobicContact CE1-CG2 4.02Å; Y58-I72 VanDerWaalsContact CE1-O 3.32Å; Y58-I72 WeakPolarHBondContact CE1-O 3.39Å; Y58-I72 HydrophobicContact CG-CG2 4.16Å; L63-I72 HydrophobicContact CD1-CD1 4.28Å; L63-I72 HydrophobicContact CD1-CG2 4.18Å; L63-I72 HydrophobicContact CD2-CD1 3.98Å; L63-I72 HydrophobicContact CD2-CG1 4.18Å; L63-I72 HydrophobicContact CD2-CG2 3.6Å; L67-I72 HydrophobicContact CB-CD1 4.14Å; L67-I72 HydrophobicContact CD2-CD1 3.75Å; L67-I72 HydrophobicContact CD2-CG1 3.47Å; L67-I72 VanDerWaalsContact CD2-CG1 3.47Å; L67-I72 HydrophobicContact CG-CD1 3.73Å; L67-I72 HydrophobicContact CG-CG1 3.69Å; Q68-I72 WeakPolarHBondContact O-CD1 3.27Å; L69-I72 PolarHBondContact O-N 3.3Å; L69-I72 VanDerWaalsContact O-N 3.09Å
73L82.8Confident82.8Confident7 Ų781.3 Ų81.34%0.03738%0.379CS..SBendtrans-83.8122.6-171.1-55.3-176.1000109.4V10 L12 L30 Y58 L69 K75 H80V10-L73 HydrophobicContact CG1-CD1 4.32Å; L12-L73 HydrophobicContact CD1-CD1 4.03Å; L12-L73 HydrophobicContact CD1-CD2 4.22Å; L30-L73 HydrophobicContact CD2-CB 4.15Å; L30-L73 HydrophobicContact CD2-CD1 4.14Å; Y58-L73 HydrophobicContact CD1-CD2 4.48Å; Y58-L73 HydrophobicContact CD2-CD2 4.14Å; Y58-L73 HydrophobicContact CE1-CD2 4.32Å; Y58-L73 HydrophobicContact CE2-CD2 3.99Å; Y58-L73 HydrophobicContact CG-CD2 4.39Å; L69-L73 HydrophobicContact CB-CD1 4.08Å; L69-L73 HydrophobicContact CB-CG 4.45Å; L69-L73 HydrophobicContact CD2-CD1 4.15Å; L69-L73 HydrophobicContact CG-CD1 4.05Å; L69-L73 WeakPolarHBondContact O-CB 3.48Å; L69-L73 WeakPolarHBondContact O-CG 3.25Å; L69-L73 PolarHBondContact O-N 3.23Å; L73-K75 PolarHBondContact O-N 3.14Å; L73-H80 HydrophobicContact CD2-CB 3.83Å
74R76.5Confident82.8Confident171 Ų17180.8 Ų80.865%0.64538%0.377SS*.  trans-69.5127.8178.2-65.7177.6170.3-172.8-3.8109.5Q76 D77 H80R74-Q76 PolarHBondContact O-N 3.02Å; R74-D77 PolarHBondContact O-N 3.44Å; R74-H80 PolarHBondContact O-NE2 3.17Å
75K67.1Low82.7Confident178 Ų17880.7 Ų80.777%0.77438%0.375SS*.THydrogen-bonded Turntrans-64.1-3.6178.5-67.4-172.6176.1-175.10115.2L73L73-K75 PolarHBondContact O-N 3.14Å
76Q61.5Low82.5Confident181 Ų18179.5 Ų79.585%0.84637%0.372SS*.THydrogen-bonded Turntrans-94.4-21-179.6-70.5173.1-50.700112.6R74R74-Q76 PolarHBondContact O-N 3.02Å
77D72.5Confident82Confident60 Ų6074.5 Ų74.532%0.32135%0.352SS..  trans-90128.3-179.7-23-35.8000109Y58 R74 Y79 H80Y58-D77 PolarHBondContact OH-OD2 3.41Å; R74-D77 PolarHBondContact O-N 3.44Å; D77-Y79 VanDerWaalsContact C-N 3.31Å; D77-H80 PolarHBondContact O-CE1 3.27Å; D77-H80 PolarHBondContact O-NE2 3.5Å; D77-H80 IonicContact OD2-CD2 3.37Å; D77-H80 PolarHBondContact OD2-CD2 3.09Å; D77-H80 VanDerWaalsContact OD2-CD2 3.24Å; D77-H80 IonicContact OD2-NE2 2.71Å; D77-H80 PolarHBondContact OD2-NE2 3.03Å
78E71.2Confident80.5Confident169 Ų16977.3 Ų77.379%0.7938%0.377SS*.SBendtrans-72.3-27.6178.3-174.2176176.500112.4
79Y78.8Confident78.9Confident130 Ų13083.8 Ų83.851%0.5140%0.398SS..EExtended strand (participates in β ladder)trans-133.2141177.262.4-91.4000111.1T11 I13 D77T11-Y79 WeakPolarHBondContact O-CA 3.23Å; I13-Y79 HydrophobicContact CD1-CD2 3.89Å; I13-Y79 HydrophobicContact CD1-CG 4.23Å; D77-Y79 VanDerWaalsContact C-N 3.31Å
80H87.5Confident76.9Confident5 Ų589.4 Ų89.42%0.02343%0.433CS..EExtended strand (participates in β ladder)trans-121123.4-179.1-58.198.8000111.1V10 T11 L12 I13 Y58 L73 R74 D77V10-H80 VanDerWaalsContact CG1-CE1 3.46Å; V10-H80 WeakPolarHBondContact CG1-CE1 3.47Å; V10-H80 WeakPolarHBondContact CG1-ND1 3.46Å; T11-H80 PolarHBondContact O-N 2.84Å; L12-H80 HydrophobicContact CD1-CB 3.75Å; I13-H80 PolarHBondContact N-O 3.47Å; Y58-H80 HydrophobicContact CE2-CB 4.03Å; L73-H80 HydrophobicContact CD2-CB 3.83Å; R74-H80 PolarHBondContact O-NE2 3.17Å; D77-H80 PolarHBondContact O-CE1 3.27Å; D77-H80 PolarHBondContact O-NE2 3.5Å; D77-H80 IonicContact OD2-CD2 3.37Å; D77-H80 PolarHBondContact OD2-CD2 3.09Å; D77-H80 VanDerWaalsContact OD2-CD2 3.24Å; D77-H80 IonicContact OD2-NE2 2.71Å; D77-H80 PolarHBondContact OD2-NE2 3.03Å
81M88Confident74.9Confident79 Ų7990.1 Ų90.139%0.38945%0.448SS..EExtended strand (participates in β ladder)trans-92.8119.4-177.8-166.9-179-59.600112K15 Y58K15-M81 HydrophobicContact CD-CG 4.15Å; K15-M81 HydrophobicContact CD-SD 3.73Å; K15-M81 WeakPolarHBondContact CE-SD 3.11Å; K15-M81 HydrophobicContact CG-CG 3.98Å; K15-M81 HydrophobicContact CG-SD 4.24Å; Y58-M81 WeakPolarHBondContact CD2-O 3.39Å
82V90.8Very high73.1Confident1 Ų190.6 Ų90.61%0.00646%0.456CS..EExtended strand (participates in β ladder)trans-124.2129.4-179.2-175.90000110.6L12 I13 I14 K15 L56 Y58 L63L12-V82 HydrophobicContact CD1-CG2 3.51Å; L12-V82 HydrophobicContact CD2-CG2 4.38Å; L12-V82 HydrophobicContact CG-CG2 4.03Å; I13-V82 PolarHBondContact O-N 3.13Å; I14-V82 WeakPolarHBondContact CA-O 3.41Å; I14-V82 HydrophobicContact CD1-CB 4.19Å; K15-V82 PolarHBondContact N-O 2.88Å; L56-V82 HydrophobicContact CB-CG1 3.94Å; L56-V82 HydrophobicContact CD2-CG1 3.77Å; L56-V82 HydrophobicContact CG-CG1 4.41Å; Y58-V82 HydrophobicContact CD2-CG2 4.01Å; Y58-V82 HydrophobicContact CG-CG2 4.48Å; L63-V82 HydrophobicContact CD1-CG1 4.49Å
83H90.4Very high71.2Confident78 Ų7894.8 Ų94.836%0.36149%0.488SS..EExtended strand (participates in β ladder)trans-86.2125.8175-63-93.9000111K15 L56 V57K15-H83 CarbonylContact O-C 3.56Å; K15-H83 VanDerWaalsContact O-CA 3.25Å; K15-H83 WeakPolarHBondContact O-CA 3.26Å; L56-H83 WeakPolarHBondContact CA-O 3.48Å; V57-H83 HydrophobicContact CB-CB 4.35Å; V57-H83 PolarHBondContact N-O 3.45Å; V57-H83 PolarHBondContact O-N 2.88Å
84L89.4Confident69.1Low2 Ų299.1 Ų99.11%0.0152%0.519CS..EExtended strand (participates in β ladder)trans-99.398.4176.1173.156.2000110.2I14 K15 P17 L41 Y45 P49 Q54 L56I14-L84 HydrophobicContact CG2-CB 3.56Å; I14-L84 HydrophobicContact CG2-CD2 3.9Å; I14-L84 HydrophobicContact CG2-CG 4.4Å; K15-L84 PolarHBondContact O-N 3.44Å; P17-L84 WeakPolarHBondContact CD-O 3.41Å; L41-L84 HydrophobicContact CD2-CD2 4.48Å; Y45-L84 HydrophobicContact CD1-CD2 4.17Å; Y45-L84 HydrophobicContact CD2-CD2 4.16Å; Y45-L84 HydrophobicContact CE1-CD2 4.4Å; Y45-L84 HydrophobicContact CE2-CD2 4.4Å; Y45-L84 HydrophobicContact CG-CD2 4.06Å; P49-L84 HydrophobicContact CG-CD2 4.27Å; Q54-L84 HydrophobicContact CB-CD1 3.9Å; Q54-L84 HydrophobicContact CG-CD1 3.97Å; L56-L84 HydrophobicContact CD2-CB 4.13Å; L56-L84 HydrophobicContact CD2-CD1 3.89Å
85V87.6Confident67.5Low49 Ų4996.7 Ų96.730%0.29753%0.525SS..EExtended strand (participates in β ladder)trans-91.3119.8175.4-172.70000108.9P17 R55 V57P17-V85 HydrophobicContact CG-CG2 4.14Å; R55-V85 HydrophobicContact CB-CB 4.2Å; R55-V85 PolarHBondContact N-O 3.25Å; R55-V85 PolarHBondContact O-N 3.43Å; V57-V85 HydrophobicContact CG2-CG2 4.5Å
86C83.4Confident66.3Low57 Ų5798 Ų9839%0.38553%0.531SS..EExtended strand (participates in β ladder)trans-101105.2179-620000110P49 D53 S88P49-C86 HydrophobicContact CB-CB 4.4Å; P49-C86 WeakPolarHBondContact CB-SG 3.16Å; D53-C86 CarbonylContact O-C 3.59Å; D53-C86 WeakPolarHBondContact O-CA 3.22Å; C86-S88 PolarHBondContact O-N 3.34Å
87T77.6Confident64.9Low45 Ų4594.2 Ų94.228%0.27652%0.524SS..  trans-85.895.1176.654.20000110.4D53 R89D53-T87 WeakPolarHBondContact CB-O 3.39Å; D53-T87 PolarHBondContact O-N 3.07Å; D53-T87 PolarHBondContact O-OG1 3.34Å; T87-R89 PolarHBondContact O-N 3.45Å
88S57.9Low63.5Low116 Ų11697 Ų9781%0.81155%0.548SS*.  trans-6293179.955.60000112.6C86C86-S88 PolarHBondContact O-N 3.34Å
89R55.8Low61.6Low203 Ų20395 Ų9577%0.76655%0.548SS*.  trans-12988.1172.5-78.4-171.7175.5-1073.8111.7K52 T87K52-R89 WeakPolarHBondContact CE-O 3.38Å; K52-R89 PolarHBondContact NZ-O 2.98Å; T87-R89 PolarHBondContact O-N 3.45Å
90T44.2Very low59.5Low121 Ų12195.9 Ų95.974%0.74256%0.561SS**  trans-102.1154.1159.144.20000109.9
91P43Very low57.4Low115 Ų115106.2 Ų106.275%0.74760%0.6SS**  cis-102.8178.3-938.9-29.1000112.3
92P45.9Very low54.9Low111 Ų111111.1 Ų111.172%0.72162%0.622SS**PPolyproline II helixtrans-76.6172.5178.232.2-36.9000114
93S42.2Very low52.2Low112 Ų112115.7 Ų115.778%0.78365%0.654SS**PPolyproline II helixtrans-53146.2175.2-175.30000112.8
94S39.7Very low49.7Very low98 Ų98122.1 Ų122.169%0.68568%0.675SS**PPolyproline II helixtrans-59.1143.5175.846.90000112.6K96S94-K96 PolarHBondContact O-N 3.14Å
95P42.9Very low47.1Very low120 Ų120129.7 Ų129.778%0.77971%0.71SS**PPolyproline II helixtrans-69.9130.3174.428.9-33.6000110.4S97P95-S97 PolarHBondContact O-N 2.86Å
96K42.6Very low44.5Very low207 Ų207131.2 Ų131.290%0.973%0.728SS**  trans-73.699.7163.8-70.5179.9178.7178.30108.6S94 S98S94-K96 PolarHBondContact O-N 3.14Å; K96-S98 PolarHBondContact O-N 2.82Å
97S31.9Very low42.2Very low100 Ų100136.7 Ų136.770%0.69975%0.753SS**  trans-8197.5167.4550000110.1P95 T99P95-S97 PolarHBondContact O-N 2.86Å; S97-T99 PolarHBondContact O-N 3.41Å; S97-T99 VanDerWaalsContact O-N 3.09Å
98S42.6Very low40Very low119 Ų119138.4 Ų138.483%0.83277%0.771SS**  trans-69.893.3163.152.50000109.6K96K96-S98 PolarHBondContact O-N 2.82Å
99T32.2Very low38.8Very low128 Ų128138 Ų13879%0.78577%0.768SS**PPolyproline II helixtrans-82.5120.3172.8-580000109.6S97S97-T99 PolarHBondContact O-N 3.41Å; S97-T99 VanDerWaalsContact O-N 3.09Å
100N33.6Very low37.8Very low147 Ų147133.8 Ų133.879%0.78677%0.77SS**PPolyproline II helixtrans-69.4162.2179.5-169.621.2000111.9E102N100-E102 PolarHBondContact O-N 3.46Å
101R43Very low37.3Very low222 Ų222133.2 Ų133.284%0.83877%0.771SS**PPolyproline II helixtrans-63.6128.3160.7-82.2172.6152.5150.4-9109.8
102E35.3Very low37Very low183 Ų183135 Ų13586%0.85577%0.774SS**  trans-136.4174.1141.6-160.385.2113.500105.8N100N100-E102 PolarHBondContact O-N 3.46Å
103S35.3Very low36.5Very low96 Ų96134.5 Ų134.567%0.67177%0.774SS**  trans-150.3164.5-171.6-62.20000111.8
104R36.9Very low36.2Very low213 Ų213133.6 Ų133.680%0.80477%0.767SS**  trans75.6156.6173-47.2-171.7-174.9-162.92114.3
105E34.8Very low36Very low161 Ų161133.5 Ų133.575%0.75277%0.767SS**  cis-167149.7-22.8-105.5143.2-150.700105.5
106A33Very low35.5Very low81 Ų81134.1 Ų134.167%0.66976%0.763SS**  cis-167.5-176.5-15.600000109
107L34.8Very low35.1Very low173 Ų173132.9 Ų132.991%0.90676%0.76SS**  trans71.5154.6170.3-53.2168.8000116.8
108A32.7Very low35.2Very low80 Ų80134.2 Ų134.266%0.66177%0.77SS**  cis-170.3153.6-30.100000110.4
109S32.8Very low34.6Very low108 Ų108131.9 Ų131.976%0.75577%0.765SS**  trans136.8129.9138.7-60.80000115.8
110S34.5Very low34.5Very low115 Ų115131.4 Ų131.480%0.80477%0.766SS**  trans55.9136.3153.247.10000120.8
111S34.1Very low34.3Very low108 Ų108130.5 Ų130.576%0.75577%0.767SS**  cis-168160.6-543.80000113
112N35.9Very low33.9Very low152 Ų152126.3 Ų126.381%0.81377%0.766SS**  trans-17157.8159.3-60.928.1000118.8
113S36.2Very low34.6Very low102 Ų102123.1 Ų123.171%0.71376%0.761SS**  cis-170.9-171.6-13.957.10000107.4
114S34.6Very low34.2Very low93 Ų93124.1 Ų124.165%0.6577%0.768SS**  cis-143.91719.1-380000109
115S35.5Very low33.8Very low96 Ų96118.4 Ų118.467%0.67176%0.761SS**  59.7132.170.81120000114.7
116D33Very low33.6Very low132 Ų132115.1 Ų115.171%0.70676%0.755SS**  cis-138.4-171.47.8-77.3-67.4000110
117H35.6Very low33.6Very low181 Ų181120 Ų12084%0.83876%0.764SS**  cis-159.2163.623.916.6-90.1000114.2
118S33.9Very low33.3Very low128 Ų128119.5 Ų119.590%0.89576%0.757SS**  trans-67.6168.6-178.8-490000115.8
119G29.7Very low33.1Very low71 Ų71122.7 Ų122.773%0.73276%0.76SS**  cis146.9162.8-10.100000115.5
120S30.2Very low32.9Very low117 Ų117124 Ų12482%0.81876%0.758SS**  trans78.8159.2160.6-146.50000122.5
121T29.8Very low32.6Very low129 Ų129123 Ų12379%0.79175%0.751SS**  trans71.8132.1165.651.40000122.6
122T33.9Very low32.3Very low134 Ų134126 Ų12682%0.82276%0.758SS**  trans-121.9-175.4160.660.50000107
123P49.4Very low31.9Very low116 Ų116124 Ų12475%0.75376%0.762SS**  cis-136.3-156.71.343.8-24.3000114.6
124S27.7Very low31.7Very low116 Ų116124.3 Ų124.381%0.81177%0.771SS**  trans82.2150.3172.1-120.30000117.1
125S29Very low31.5Very low94 Ų94123.6 Ų123.666%0.65778%0.779SS**  cis-151.6145.14.6-164.80000114.5
126S28.9Very low31.2Very low91 Ų91124.4 Ų124.464%0.63678%0.784SS**  trans38.4123.7144.261.60000123.6
127Q32.6Very low31Very low184 Ų184123.1 Ų123.186%0.8679%0.786SS**  -170.9128.7116.2-96.3165.17.700108.6
128E29.8Very low30.8Very low163 Ų163120.4 Ų120.476%0.76279%0.787SS**  73.1137.365.1-62.7-52.393.100116
129M27.2Very low30.9Very low146 Ų146123.1 Ų123.172%0.71979%0.786SS**  -161.4145.7-59.4175.7159.3179.400110.1
130L30.1Very low31.1Very low135 Ų135123 Ų12371%0.70778%0.784SS**  trans39.9109.3164.9-70.1172000121.5
131S27.7Very low31.5Very low95 Ų95124.8 Ų124.866%0.66478%0.783SS**  75.2139.2117.6-60.10000124.6
132L28.2Very low31.8Very low172 Ų172129.9 Ų129.990%0.90179%0.788SS**  trans71.7109147.3-70.2160.9000121.4
133A27Very low31.9Very low108 Ų108131.3 Ų131.389%0.89379%0.786SS**  -171.8165127.600000111
134A32.4Very low31.1Very low110 Ų110136.3 Ų136.391%0.90979%0.789SS**  trans-133153.1176.800000111.7
135G29.2Very low31.2Very low78 Ų78137.2 Ų137.280%0.80479%0.79SS**  trans179.488179.900000118.4
136S30.7Very low31.7Very low113 Ų113140.1 Ų140.179%0.7980%0.798SS**  trans48.3118.3139.9-140.70000124.5
137S28.8Very low32.2Very low105 Ų105141 Ų14173%0.73480%0.801SS**  56.9118.8127.166.40000124
138S31.6Very low32.1Very low124 Ų124140.3 Ų140.387%0.86780%0.798SS**  trans166.6162.5133.3-177.70000110.9
139E35.1Very low32.2Very low185 Ų185137.2 Ų137.286%0.86480%0.8SS**  -159.8134-75-179.3177.315700109.8
140G33Very low32.3Very low68 Ų68138.6 Ų138.670%0.70181%0.805SS**  trans76.4161.3167.200000118
141L39.2Very low32.4Very low154 Ų154138.2 Ų138.281%0.80681%0.808SS**  cis-167.2125.6-11.7-131.6176.4000111
142R36.6Very low32.5Very low236 Ų236141 Ų14189%0.89182%0.816SS**  trans175115.6142.6-97.2157-172.2179.73.7114.5
143Q36Very low32.7Very low164 Ų164140.8 Ų140.877%0.76681%0.81SS**  trans0.2153.8143-67.9149.2-3.500118.8
144R32.5Very low32.9Very low221 Ų221142.4 Ų142.483%0.83481%0.809SS**  cis159.8135.9-3.9159.5-170.6-91.2170.9-7.2104.8
145T29.1Very low33Very low135 Ų135146.2 Ų146.283%0.82881%0.808SS**  trans178.8152.1142-76.10000109.4
146L40.2Very low33Very low155 Ų155147.8 Ų147.881%0.81281%0.807SS**  trans-132.2135-178.6-178.879.4000110.3
147P39.7Very low33Very low110 Ų110151.5 Ų151.571%0.71481%0.811SS**  trans-115121.8142.11.220000108.8
148Q29.2Very low33.2Very low170 Ų170155.2 Ų155.279%0.79482%0.817SS**  69.3104.181.2-173.1172.2-1100112.3
149A32.6Very low33.3Very low97 Ų97158.7 Ų158.780%0.80282%0.817SS**PPolyproline II helixtrans-83140.8173.800000111.2
150Q29.8Very low33.7Very low175 Ų175155.2 Ų155.282%0.81881%0.811SS**PPolyproline II helixtrans-101.2123.8162.4-75.3179.6-103.700109.3
151T31.8Very low33.9Very low127 Ų127162.8 Ų162.878%0.77982%0.82SS**PPolyproline II helixtrans-90.8128.4160.850.80000108.4
152D29.1Very low34Very low155 Ų155162.1 Ų162.183%0.82982%0.822SS**  trans-109.3152.8174-134.4-45.7000111.6
153Q32.6Very low34.4Very low167 Ų167160.1 Ų160.178%0.7883%0.825SS**  trans-127.7128.9-161.3-62.1-176.611.700114.3
154T32.7Very low34.6Very low141 Ų141161.1 Ų161.187%0.86583%0.829SS**  trans-153.3140.5161.548.10000108.6
155Q32.6Very low34.6Very low191 Ų191153.3 Ų153.389%0.89382%0.818SS**  cis-161.5137.8-6.8176.9177.735.800107.3
156S29.7Very low34.9Very low111 Ų111153.5 Ų153.578%0.77681%0.814SS**  trans-137.5152.6174.557.30000111.5
157H32.1Very low34.6Very low190 Ų190152.3 Ų152.388%0.8881%0.812SS**PPolyproline II helixtrans-71.5138.9-159.1-66.5-88.9000114.9
158Q31.5Very low34.6Very low183 Ų183152.2 Ų152.286%0.85581%0.806SS**PPolyproline II helixtrans-99.2131.3178-174.4176.825.800110.4
159F33.9Very low34.8Very low197 Ų197149.6 Ų149.686%0.86480%0.797SS**PPolyproline II helixtrans-82.5129169.1-75.6-87000110.3Y161F159-Y161 PolarHBondContact O-N 2.84Å
160P43.4Very low34.9Very low113 Ų113152.8 Ų152.873%0.73480%0.796SS**  trans-96.481.4-17236.2-34.6000112.9
161Y38.2Very low35Very low227 Ų227153.2 Ų153.289%0.8980%0.795SS**  trans-156.667.3166.8-123.3-71.5000115.9F159F159-Y161 PolarHBondContact O-N 2.84Å
162V41.3Very low35.5Very low140 Ų140153.2 Ų153.285%0.84880%0.798SS**  trans-160.8121144.1-104.20000110Q164V162-Q164 PolarHBondContact O-N 2.81Å
163M45.5Very low36.2Very low194 Ų194148.8 Ų148.896%0.95679%0.788SS**  trans-95.685.4172.6176.6172.2162.800108.6G165M163-G165 PolarHBondContact O-N 3.34Å
164Q39.6Very low36.3Very low184 Ų184149.9 Ų149.986%0.8679%0.793SS**  trans-87.1101.3-179.8-169.1158.414.400110.8V162V162-Q164 PolarHBondContact O-N 2.81Å
165G31.3Very low36.8Very low58 Ų58150 Ų15060%0.59879%0.793SS**  trans-68.7128.1172.700000111.3M163 V167M163-G165 PolarHBondContact O-N 3.34Å; G165-V167 PolarHBondContact O-N 3.41Å
166N35.6Very low37.5Very low138 Ų138144.9 Ų144.974%0.73878%0.784SS**  trans-72.4108.8169.1-176.961.5000109.6D168N166-D168 PolarHBondContact ND2-OD2 2.92Å; N166-D168 VanDerWaalsContact ND2-OD2 3.14Å
167V34.3Very low38Very low130 Ų130144.3 Ų144.379%0.78878%0.778SS**  trans-106.499.2164.3-86.50000108.9G165 N169G165-V167 PolarHBondContact O-N 3.41Å; V167-N169 PolarHBondContact O-N 2.82Å; V167-N169 VanDerWaalsContact O-N 3.17Å
168D40.3Very low38.7Very low108 Ų108141.9 Ų141.958%0.57878%0.779SS**  trans-56.8113.9166-109.5-89000109.5N166 Q170N166-D168 PolarHBondContact ND2-OD2 2.92Å; N166-D168 VanDerWaalsContact ND2-OD2 3.14Å; D168-Q170 PolarHBondContact OD1-NE2 3.25Å
169N32.3Very low39.3Very low115 Ų115136.3 Ų136.362%0.61577%0.771SS**  trans-14463.8170.9-152.5105.3000111.6V167 F171V167-N169 PolarHBondContact O-N 2.82Å; V167-N169 VanDerWaalsContact O-N 3.17Å; N169-F171 WeakPolarHBondContact ND2-CD2 3.3Å; N169-F171 WeakPolarHBondContact ND2-CE2 3.49Å; N169-F171 PolarHBondContact O-N 3.41Å; N169-F171 VanDerWaalsContact O-N 3.15Å
170Q35.5Very low39.5Very low164 Ų164135.3 Ų135.377%0.76677%0.766SS**  trans-60.7110.3175.6-60.9169.844.700110.4D168D168-Q170 PolarHBondContact OD1-NE2 3.25Å
171F32.5Very low39.4Very low184 Ų184134.5 Ų134.581%0.80776%0.761SS**  trans-90.3120.3169.7-84.7-80.1000110N169N169-F171 WeakPolarHBondContact ND2-CD2 3.3Å; N169-F171 WeakPolarHBondContact ND2-CE2 3.49Å; N169-F171 PolarHBondContact O-N 3.41Å; N169-F171 VanDerWaalsContact O-N 3.15Å
172P41.8Very low39.9Very low128 Ų128130.2 Ų130.283%0.83176%0.758SS**  trans-82.7138-178.832.3-33.9000112.2
173G42.8Very low40.2Very low61 Ų61132.1 Ų132.163%0.62975%0.751SS**  trans109.574.9156.300000117.5
174Q36.2Very low40.8Very low191 Ų191128 Ų12889%0.89374%0.739SS**  trans-139.1124.1135-73.2-55.5-24.800108.8
175V42.9Very low41.7Very low142 Ų142123.2 Ų123.286%0.86173%0.731SS**  trans-98.7101.9-179.4-179.50000109.1
176A46.6Very low43.1Very low84 Ų84126.1 Ų126.169%0.69473%0.727SS**  trans-81.1144.717000000110.6
177P40.5Very low45.3Very low100 Ų100122 Ų12265%0.64971%0.71SS**  trans-71.9144.4-17528.6-35.2000112.8G179P177-G179 PolarHBondContact O-N 2.95Å
178P46.3Very low47.4Very low139 Ų139121.3 Ų121.390%0.90371%0.708SS**THydrogen-bonded Turntrans-73.8109.8176.730.3-33.3000110.3
179G43.6Very low49.5Very low66 Ų66122.7 Ų122.768%0.6871%0.714SS**THydrogen-bonded Turntrans177.7-23.9177.800000116.4P177P177-G179 PolarHBondContact O-N 2.95Å
180F39.9Very low51.9Low176 Ų176121.2 Ų121.277%0.77270%0.703SS**  trans-109.4130-179.8-62.4-77.3000111.5V182F180-V182 PolarHBondContact O-N 3.41Å; F180-V182 VanDerWaalsContact O-N 3.1Å
181P40.4Very low54.2Low95 Ų95118.9 Ų118.962%0.61769%0.694SS**  trans-67.1109.6164.828.5-31.4000108.1Y183P181-Y183 HydrophobicContact CB-CD2 4.15Å; P181-Y183 HydrophobicContact CB-CE2 4.05Å; P181-Y183 HydrophobicContact CG-CD2 4.1Å; P181-Y183 HydrophobicContact CG-CE2 3.77Å; P181-Y183 PolarHBondContact O-N 3.38Å
182V49.7Very low56.9Low138 Ų138114.8 Ų114.884%0.83668%0.68SS**  trans-70.183.2164.6-178.10000107F180F180-V182 PolarHBondContact O-N 3.41Å; F180-V182 VanDerWaalsContact O-N 3.1Å
183Y47.3Very low59.2Low180 Ų180115.1 Ų115.171%0.70667%0.665SS**  trans-54131.9161.8-78.6-89.4000107.6P181 A185P181-Y183 HydrophobicContact CB-CD2 4.15Å; P181-Y183 HydrophobicContact CB-CE2 4.05Å; P181-Y183 HydrophobicContact CG-CD2 4.1Å; P181-Y183 HydrophobicContact CG-CE2 3.77Å; P181-Y183 PolarHBondContact O-N 3.38Å; Y183-A185 PolarHBondContact O-N 3.17Å
184P57.2Low61.5Low106 Ų106117.8 Ų117.869%0.68866%0.656SS**  trans-65.693.8165.927.9-31.8000107F186P184-F186 CarbonylContact O-C 3.58Å; P184-F186 PolarHBondContact O-N 3.33Å
185A59.4Low64.1Low84 Ų84114.8 Ų114.869%0.69464%0.642SS**SBendtrans-59.1-20.2-16700000113.6Y183Y183-A185 PolarHBondContact O-N 3.17Å
186F60.5Low66.3Low119 Ų119114.7 Ų114.752%0.52263%0.632SS.*SBendtrans-129.5138.2165.6-64-84.7000108.8P184 Q190P184-F186 CarbonylContact O-C 3.58Å; P184-F186 PolarHBondContact O-N 3.33Å; F186-Q190 HydrophobicContact CD1-CG 4.31Å
187S80.3Confident68.3Low53 Ų53114 Ų11437%0.37162%0.615SS.*  trans-67.5147.2167.469.10000109.7L189 Q190 M191S187-L189 PolarHBondContact O-N 3.31Å; S187-L189 VanDerWaalsContact O-N 3.17Å; S187-Q190 WeakPolarHBondContact O-CB 3.47Å; S187-Q190 PolarHBondContact O-N 2.97Å; S187-Q190 VanDerWaalsContact OG-CB 3.23Å; S187-Q190 WeakPolarHBondContact OG-CB 3.34Å; S187-Q190 PolarHBondContact OG-N 3.31Å; S187-M191 PolarHBondContact O-N 3.24Å
188P79.5Confident70.9Confident115 Ų115116.5 Ų116.575%0.74761%0.613SS**Hα-helixtrans-60.2-29.2178.722.7-32.7000112.3M191 L192P188-M191 PolarHBondContact O-N 3.06Å; P188-L192 WeakPolarHBondContact O-CB 3.44Å; P188-L192 PolarHBondContact O-N 3.38Å
189L85.1Confident73.2Confident137 Ų137112.8 Ų112.872%0.71759%0.594SS**Hα-helixtrans-66-39.1173.8-160.677.3000112.5S187 L192 W193S187-L189 PolarHBondContact O-N 3.31Å; S187-L189 VanDerWaalsContact O-N 3.17Å; L189-L192 PolarHBondContact O-N 3.23Å; L189-W193 PolarHBondContact O-N 3.46Å
190Q81.8Confident75.4Confident83 Ų83115.3 Ų115.339%0.38859%0.588SS.*Hα-helixtrans-71.8-35.5177.1-174.8-179.515.400111.9F186 S187 W193 W194F186-Q190 HydrophobicContact CD1-CG 4.31Å; S187-Q190 WeakPolarHBondContact O-CB 3.47Å; S187-Q190 PolarHBondContact O-N 2.97Å; S187-Q190 VanDerWaalsContact OG-CB 3.23Å; S187-Q190 WeakPolarHBondContact OG-CB 3.34Å; S187-Q190 PolarHBondContact OG-N 3.31Å; Q190-W193 PolarHBondContact O-N 2.96Å; Q190-W194 PolarHBondContact O-N 3.08Å
191M84.4Confident77.7Confident116 Ų116112.1 Ų112.157%0.57158%0.575SS**Hα-helixtrans-63.4-42.3171.3-168.668.517600111.2S187 P188 W194 Q195S187-M191 PolarHBondContact O-N 3.24Å; P188-M191 PolarHBondContact O-N 3.06Å; M191-W194 PolarHBondContact O-N 3.33Å; M191-Q195 WeakPolarHBondContact O-CB 3.17Å; M191-Q195 PolarHBondContact O-N 3.34Å
192L88.7Confident80.2Confident97 Ų97115.8 Ų115.851%0.50858%0.578SS.*Hα-helixtrans-64.7-42.2175.4-174.964.6000112.1P188 L189 Q195 Q196P188-L192 WeakPolarHBondContact O-CB 3.44Å; P188-L192 PolarHBondContact O-N 3.38Å; L189-L192 PolarHBondContact O-N 3.23Å; L192-Q195 PolarHBondContact O-N 2.64Å; L192-Q196 WeakPolarHBondContact O-CB 3.1Å; L192-Q196 PolarHBondContact O-N 3.29Å
193W90.7Very high82.3Confident136 Ų136115.6 Ų115.652%0.51556%0.563SS.*Hα-helixtrans-59.3-46.5175.1-179.888.6000112.1L189 Q190 Q195 Q196 M197L189-W193 PolarHBondContact O-N 3.46Å; Q190-W193 PolarHBondContact O-N 2.96Å; W193-Q195 PolarHBondContact O-N 3Å; W193-Q196 PolarHBondContact O-N 3.13Å; W193-M197 HydrophobicContact CH2-CE 3.94Å; W193-M197 HydrophobicContact CZ2-CE 3.53Å; W193-M197 WeakPolarHBondContact O-CB 3.31Å; W193-M197 PolarHBondContact O-N 3.24Å
194W91.3Very high84.3Confident116 Ų116111.7 Ų111.744%0.43955%0.552SS.*Hα-helixtrans-61.2-44175.2-88.5114.2000112.1Q190 M191 Q196 M197 Y198Q190-W194 PolarHBondContact O-N 3.08Å; M191-W194 PolarHBondContact O-N 3.33Å; W194-Q196 VanDerWaalsContact C-N 3.35Å; W194-Q196 PolarHBondContact O-N 2.72Å; W194-M197 PolarHBondContact O-N 2.83Å; W194-Y198 HydrophobicContact CE3-CD2 4.11Å; W194-Y198 AromaticContact CE3-CE2 3.82Å; W194-Y198 HydrophobicContact CE3-CE2 3.82Å; W194-Y198 HydrophobicContact CZ3-CE2 4.14Å; W194-Y198 WeakPolarHBondContact O-CD2 3.19Å; W194-Y198 PolarHBondContact O-N 3.49Å
195Q89.4Confident85.9Confident129 Ų129113.6 Ų113.660%0.60355%0.552SS**Hα-helixtrans-62.5-41.2177.9-170.2177.899.300112M191 L192 W193 A199M191-Q195 WeakPolarHBondContact O-CB 3.17Å; M191-Q195 PolarHBondContact O-N 3.34Å; L192-Q195 PolarHBondContact O-N 2.64Å; W193-Q195 PolarHBondContact O-N 3Å; Q195-A199 WeakPolarHBondContact O-CB 3.35Å; Q195-A199 PolarHBondContact O-N 2.86Å
196Q89.4Confident87.5Confident139 Ų139116.6 Ų116.665%0.6555%0.546SS*.Hα-helixtrans-66-41.5176.2-173.41740.700112L192 W193 W194 A199 H200L192-Q196 WeakPolarHBondContact O-CB 3.1Å; L192-Q196 PolarHBondContact O-N 3.29Å; W193-Q196 PolarHBondContact O-N 3.13Å; W194-Q196 VanDerWaalsContact C-N 3.35Å; W194-Q196 PolarHBondContact O-N 2.72Å; Q196-A199 PolarHBondContact O-N 3.48Å; Q196-H200 WeakPolarHBondContact O-CB 3.42Å; Q196-H200 PolarHBondContact O-N 2.92Å
197M88.8Confident88.9Confident69 Ų69115.1 Ų115.134%0.3454%0.541SS..Hα-helixtrans-61.3-47.9175.5-174.964.673.300111.5W193 W194 H200 Q201W193-M197 HydrophobicContact CH2-CE 3.94Å; W193-M197 HydrophobicContact CZ2-CE 3.53Å; W193-M197 WeakPolarHBondContact O-CB 3.31Å; W193-M197 PolarHBondContact O-N 3.24Å; W194-M197 PolarHBondContact O-N 2.83Å; M197-H200 PolarHBondContact O-N 3.42Å; M197-Q201 WeakPolarHBondContact O-CG 3.44Å; M197-Q201 PolarHBondContact O-N 3.24Å
198Y94.9Very high89.2Confident154 Ų154115.3 Ų115.360%0.60455%0.546SS*.Hα-helixtrans-62.8-43.2177.4-93.7-73.8000112.7W194 H200 Q201 Y202W194-Y198 HydrophobicContact CE3-CD2 4.11Å; W194-Y198 AromaticContact CE3-CE2 3.82Å; W194-Y198 HydrophobicContact CE3-CE2 3.82Å; W194-Y198 HydrophobicContact CZ3-CE2 4.14Å; W194-Y198 WeakPolarHBondContact O-CD2 3.19Å; W194-Y198 PolarHBondContact O-N 3.49Å; Y198-H200 VanDerWaalsContact C-N 3.32Å; Y198-H200 PolarHBondContact O-N 2.77Å; Y198-Q201 PolarHBondContact O-N 2.79Å; Y198-Y202 WeakPolarHBondContact O-CB 3.4Å; Y198-Y202 PolarHBondContact O-N 3.47Å
199A93.9Very high89.4Confident61 Ų61112 Ų11250%0.50453%0.528SS..Hα-helixtrans-60.8-41.9176.500000111.8Q195 Q196 Y203Q195-A199 WeakPolarHBondContact O-CB 3.35Å; Q195-A199 PolarHBondContact O-N 2.86Å; Q196-A199 PolarHBondContact O-N 3.48Å; A199-Y203 WeakPolarHBondContact O-CB 3.42Å; A199-Y203 PolarHBondContact O-N 2.81Å
200H90.9Very high89.4Confident118 Ų118108.5 Ų108.555%0.54651%0.513SS..Hα-helixtrans-66.7-43.8178.2-167.1-88.4000112.5Q196 M197 Y198 Y203 M204Q196-H200 WeakPolarHBondContact O-CB 3.42Å; Q196-H200 PolarHBondContact O-N 2.92Å; M197-H200 PolarHBondContact O-N 3.42Å; Y198-H200 VanDerWaalsContact C-N 3.32Å; Y198-H200 PolarHBondContact O-N 2.77Å; H200-Y203 PolarHBondContact O-N 2.9Å; H200-M204 WeakPolarHBondContact O-CG 3Å; H200-M204 PolarHBondContact O-N 3.04Å
201Q88.6Confident89.2Confident109 Ų109107.9 Ų107.951%0.50952%0.517SS..Hα-helixtrans-61.7-45.2176.7-73.3-177.6-3.100112.1M197 Y198 Y203 M204 Q205M197-Q201 WeakPolarHBondContact O-CG 3.44Å; M197-Q201 PolarHBondContact O-N 3.24Å; Y198-Q201 PolarHBondContact O-N 2.79Å; Q201-Y203 PolarHBondContact O-N 2.97Å; Q201-M204 PolarHBondContact O-N 3.4Å; Q201-Q205 PolarHBondContact O-N 3.48Å
202Y91.6Very high88.6Confident172 Ų172105.1 Ų105.168%0.67551%0.513SS*.Hα-helixtrans-64.2-40.4178.1-166.7-94.9000112.1Y198 Q205 Y206Y198-Y202 WeakPolarHBondContact O-CB 3.4Å; Y198-Y202 PolarHBondContact O-N 3.47Å; Y202-Q205 PolarHBondContact O-N 3.46Å; Y202-Y206 WeakPolarHBondContact O-CB 3.46Å; Y202-Y206 PolarHBondContact O-N 2.95Å
203Y94.8Very high87.5Confident135 Ų135106.4 Ų106.453%0.52952%0.516SS..Hα-helixtrans-63.7-44.6176.7-173.9-102.9000112.6A199 H200 Q201 Y206 Q207A199-Y203 WeakPolarHBondContact O-CB 3.42Å; A199-Y203 PolarHBondContact O-N 2.81Å; H200-Y203 PolarHBondContact O-N 2.9Å; Q201-Y203 PolarHBondContact O-N 2.97Å; Y203-Y206 PolarHBondContact O-N 3.42Å; Y203-Q207 HydrophobicContact CD1-CG 4.4Å; Y203-Q207 HydrophobicContact CE1-CG 4.02Å; Y203-Q207 VanDerWaalsContact CZ-NE2 3.32Å; Y203-Q207 PolarHBondContact O-N 3.25Å; Y203-Q207 PolarHBondContact OH-NE2 2.87Å
204M89.9Confident86Confident97 Ų97103.5 Ų103.548%0.47852%0.521SS..Hα-helixtrans-61.8-43.4175.4-73.2-63.4-62.700112.1H200 Q201 Q207 A208H200-M204 WeakPolarHBondContact O-CG 3Å; H200-M204 PolarHBondContact O-N 3.04Å; Q201-M204 PolarHBondContact O-N 3.4Å; M204-Q207 PolarHBondContact O-N 2.86Å; M204-A208 WeakPolarHBondContact O-CB 3.46Å; M204-A208 PolarHBondContact O-N 3.09Å
205Q89.6Confident84.2Confident146 Ų146103.1 Ų103.168%0.68253%0.532SS*.Hα-helixtrans-65.7-38.8177.7-168.5174.42600111.9Q201 Y202 A209Q201-Q205 PolarHBondContact O-N 3.48Å; Y202-Q205 PolarHBondContact O-N 3.46Å; Q205-A209 WeakPolarHBondContact O-CB 3.37Å; Q205-A209 PolarHBondContact O-N 3.16Å
206Y92.9Very high82.4Confident147 Ų147100.9 Ų100.958%0.57653%0.53SS*.Hα-helixtrans-64.4-45.9174.1-178.9-98.7000112.1Y202 Y203 A208 A209 V210Y202-Y206 WeakPolarHBondContact O-CB 3.46Å; Y202-Y206 PolarHBondContact O-N 2.95Å; Y203-Y206 PolarHBondContact O-N 3.42Å; Y206-A208 PolarHBondContact O-N 2.81Å; Y206-A209 PolarHBondContact O-N 2.78Å; Y206-V210 HydrophobicContact CD1-CG2 4.21Å; Y206-V210 HydrophobicContact CE1-CG2 3.76Å; Y206-V210 HydrophobicContact CE2-CG2 4.1Å; Y206-V210 WeakPolarHBondContact O-CG2 3.46Å; Y206-V210 PolarHBondContact O-N 2.7Å
207Q90.3Very high80.4Confident89 Ų89101.2 Ų101.242%0.41654%0.536SS..Hα-helixtrans-58.6-46.7175.4-78-162.4-14.300111.9Y203 M204 A209 V210 S211Y203-Q207 HydrophobicContact CD1-CG 4.4Å; Y203-Q207 HydrophobicContact CE1-CG 4.02Å; Y203-Q207 VanDerWaalsContact CZ-NE2 3.32Å; Y203-Q207 PolarHBondContact O-N 3.25Å; Y203-Q207 PolarHBondContact OH-NE2 2.87Å; M204-Q207 PolarHBondContact O-N 2.86Å; Q207-A209 VanDerWaalsContact C-N 3.33Å; Q207-A209 PolarHBondContact O-N 3.33Å; Q207-V210 PolarHBondContact O-N 2.73Å; Q207-V210 VanDerWaalsContact O-N 3.17Å; Q207-S211 PolarHBondContact O-N 3.41Å; Q207-S211 PolarHBondContact O-OG 3.48Å
208A85.8Confident78.2Confident57 Ų57103.8 Ų103.847%0.47156%0.556SS.*Hα-helixtrans-61.6-39.1178.500000112.6M204 Y206 S211 A212M204-A208 WeakPolarHBondContact O-CB 3.46Å; M204-A208 PolarHBondContact O-N 3.09Å; Y206-A208 PolarHBondContact O-N 2.81Å; A208-S211 WeakPolarHBondContact CA-OG 3.23Å; A208-S211 PolarHBondContact O-OG 3.22Å; A208-A212 WeakPolarHBondContact O-CB 3.46Å; A208-A212 PolarHBondContact O-N 2.71Å; A208-A212 VanDerWaalsContact O-N 3.09Å
209A84.1Confident75.3Confident45 Ų45102.9 Ų102.937%0.37256%0.562SS.*Hα-helixtrans-66.5-39.7174.400000112.2Q205 Y206 Q207 Q213Q205-A209 WeakPolarHBondContact O-CB 3.37Å; Q205-A209 PolarHBondContact O-N 3.16Å; Y206-A209 PolarHBondContact O-N 2.78Å; Q207-A209 VanDerWaalsContact C-N 3.33Å; Q207-A209 PolarHBondContact O-N 3.33Å; A209-Q213 WeakPolarHBondContact O-CG 3.39Å; A209-Q213 PolarHBondContact O-N 2.94Å; A209-Q213 VanDerWaalsContact O-N 3.15Å; A209-Q213 PolarHBondContact O-NE2 3.28Å
210V85.2Confident73.1Confident64 Ų64105.6 Ų105.639%0.38857%0.574SS.*Hα-helixtrans-69.9-39.8177.7170.90000111.7Y206 Q207 Q213 A214Y206-V210 HydrophobicContact CD1-CG2 4.21Å; Y206-V210 HydrophobicContact CE1-CG2 3.76Å; Y206-V210 HydrophobicContact CE2-CG2 4.1Å; Y206-V210 WeakPolarHBondContact O-CG2 3.46Å; Y206-V210 PolarHBondContact O-N 2.7Å; Q207-V210 PolarHBondContact O-N 2.73Å; Q207-V210 VanDerWaalsContact O-N 3.17Å; V210-Q213 PolarHBondContact O-N 2.84Å; V210-A214 PolarHBondContact O-N 2.85Å
211S77.3Confident70.3Confident69 Ų69105.4 Ų105.448%0.48358%0.581SS.*Hα-helixtrans-66-39175.856.90000112.3Q207 A208 Q213 A214 T215Q207-S211 PolarHBondContact O-N 3.41Å; Q207-S211 PolarHBondContact O-OG 3.48Å; A208-S211 WeakPolarHBondContact CA-OG 3.23Å; A208-S211 PolarHBondContact O-OG 3.22Å; S211-Q213 VanDerWaalsContact C-N 3.34Å; S211-Q213 PolarHBondContact O-N 3.45Å; S211-A214 WeakPolarHBondContact O-CB 3.42Å; S211-A214 PolarHBondContact O-N 3.49Å; S211-T215 PolarHBondContact O-N 2.99Å; S211-T215 VanDerWaalsContact O-N 3.13Å; S211-T215 PolarHBondContact O-OG1 3.44Å
212A73.1Confident67.8Low58 Ų58109.2 Ų109.248%0.47960%0.599SS.*Hα-helixtrans-62.2-39.9174.200000112.3A208 T215 S216A208-A212 WeakPolarHBondContact O-CB 3.46Å; A208-A212 PolarHBondContact O-N 2.71Å; A208-A212 VanDerWaalsContact O-N 3.09Å; A212-T215 WeakPolarHBondContact CA-OG1 3.5Å; A212-T215 PolarHBondContact O-N 2.87Å; A212-T215 PolarHBondContact O-OG1 3.32Å; A212-S216 PolarHBondContact O-N 3.1Å
213Q65.9Low65.9Low125 Ų125106.4 Ų106.458%0.58460%0.602SS**Hα-helixtrans-69.4-32.1174.2-74167.189.100112.9A209 V210 S211 T215 S216A209-Q213 WeakPolarHBondContact O-CG 3.39Å; A209-Q213 PolarHBondContact O-N 2.94Å; A209-Q213 VanDerWaalsContact O-N 3.15Å; A209-Q213 PolarHBondContact O-NE2 3.28Å; V210-Q213 PolarHBondContact O-N 2.84Å; S211-Q213 VanDerWaalsContact C-N 3.34Å; S211-Q213 PolarHBondContact O-N 3.45Å; Q213-T215 VanDerWaalsContact C-N 3.28Å; Q213-T215 PolarHBondContact O-N 2.84Å; Q213-S216 PolarHBondContact O-N 3.29Å; Q213-S216 PolarHBondContact O-OG 2.85Å
214A57.8Low62.8Low74 Ų74106.9 Ų106.961%0.61262%0.619SS**Hα-helixtrans-65-33.6172.900000111.8V210 S211V210-A214 PolarHBondContact O-N 2.85Å; S211-A214 WeakPolarHBondContact O-CB 3.42Å; S211-A214 PolarHBondContact O-N 3.49Å
215T53.6Low60.3Low109 Ų109108.5 Ų108.567%0.66963%0.634SS**Hα-helixtrans-78.1-17176.147.50000115.1S211 A212 Q213S211-T215 PolarHBondContact O-N 2.99Å; S211-T215 VanDerWaalsContact O-N 3.13Å; S211-T215 PolarHBondContact O-OG1 3.44Å; A212-T215 WeakPolarHBondContact CA-OG1 3.5Å; A212-T215 PolarHBondContact O-N 2.87Å; A212-T215 PolarHBondContact O-OG1 3.32Å; Q213-T215 VanDerWaalsContact C-N 3.28Å; Q213-T215 PolarHBondContact O-N 2.84Å
216S52.2Low57.5Low82 Ų82107 Ų10757%0.57364%0.64SS**Hα-helixtrans-83.1-12.9-17856.90000115A212 Q213 V218A212-S216 PolarHBondContact O-N 3.1Å; Q213-S216 PolarHBondContact O-N 3.29Å; Q213-S216 PolarHBondContact O-OG 2.85Å; S216-V218 PolarHBondContact O-N 3.29Å
217N48Very low54.7Low145 Ų145108.5 Ų108.578%0.77565%0.652SS**  trans-96.253.1-175.9-79.810.7000113.6
218V42.6Very low52.8Low123 Ų123109.3 Ų109.375%0.74567%0.666SS**  trans-115.985167.6-1750000109.3S216 P220S216-V218 PolarHBondContact O-N 3.29Å; V218-P220 WeakPolarHBondContact O-CD 3.46Å
219N33.6Very low50Low136 Ų136114.8 Ų114.873%0.72769%0.686SS**  trans-84.2120.1177.6-175.185.8000110.9T221N219-T221 PolarHBondContact ND2-OG1 2.83Å; N219-T221 PolarHBondContact O-N 2.82Å
220P46.8Very low47.4Very low117 Ų117119.1 Ų119.176%0.7670%0.703SS**  trans-88101.5-172.333.3-33.8000113.1V218V218-P220 WeakPolarHBondContact O-CD 3.46Å
221T33.3Very low44.7Very low115 Ų115124 Ų12471%0.70673%0.726SS**  trans-146.1109.4168.90.80000113.8N219N219-T221 PolarHBondContact ND2-OG1 2.83Å; N219-T221 PolarHBondContact O-N 2.82Å
222Q36.4Very low42.4Very low189 Ų189125.2 Ų125.288%0.88374%0.74SS**  trans16.3155.1156.7-81.8-177.1-32.700124.1
223P50.9Low40.3Very low112 Ų112129.7 Ų129.773%0.72775%0.751SS**  trans-89.7160-163.937.3-38.4000115.1
224T29Very low38.6Very low145 Ų145130.5 Ų130.589%0.8976%0.764SS**  trans-150.2140.6158-630000111
225T39.2Very low37.6Very low131 Ų131131.7 Ų131.780%0.80477%0.765SS**  trans-76.9138.7-176.2-530000113.4
226S30.3Very low36.4Very low114 Ų114130.1 Ų130.180%0.79777%0.771SS**  trans-154.1142.9150.752.30000113.4
227Q32.8Very low35.4Very low179 Ų179136 Ų13684%0.83679%0.789SS**  trans-134.6-175.1163.7-49.9179.9-4.900105.9
228P51Low34.7Very low107 Ų107137 Ų13770%0.69579%0.79SS**  cis-126.8-178.4-19.639.1-24.4000112.1
229L27.8Very low34.5Very low172 Ų172136.7 Ų136.790%0.90179%0.79SS**  -169172.7124.1-104.5162.6000111.5
230N28.9Very low35.1Very low135 Ų135135.2 Ų135.272%0.72279%0.788SS**  trans-142.1142.1-148-163.1-48.8000112.8
231L28Very low34.7Very low166 Ų166135.3 Ų135.387%0.86979%0.788SS**  trans168.8144149.1-11364.6000107.8
232A29.1Very low34.7Very low96 Ų96134.1 Ų134.179%0.79379%0.79SS**  cis-147.1173.4-5.500000109.9
233H28.7Very low34.7Very low152 Ų152131 Ų13170%0.70479%0.786SS**  trans-122.7136.7-166.9161.894.1000113.8
234V31Very low33.9Very low142 Ų142132.9 Ų132.986%0.86179%0.79SS**  trans-144.5132.5159.1-176.30000108.4
235P36.4Very low34.1Very low98 Ų98134.3 Ų134.364%0.63679%0.792SS**  trans-114.4158.6-176.639.7-31.3000115.4
236G28.4Very low33.9Very low76 Ų76134.5 Ų134.578%0.78479%0.792SS**  trans103.2108.3157.300000116.5
237E30.8Very low34Very low206 Ų206132.9 Ų132.996%0.96379%0.786SS**  -168.5158.993-144.5147.387.800109.4
238E34.5Very low34.4Very low167 Ų167134.2 Ų134.278%0.7879%0.792SS**  trans-104.8148.4-174.4-147-165.19700111.2
239P37.7Very low33.6Very low115 Ų115136.9 Ų136.975%0.74780%0.795SS**  -153.5-158.69840.1-18.5000113.2
240P45.6Very low34.3Very low105 Ų105135.9 Ų135.968%0.68279%0.791SS**  -111.5173.4-91.137.2-20.5000113.2
241P38.8Very low34.4Very low120 Ų120140.4 Ų140.478%0.77980%0.798SS**PPolyproline II helixtrans-81.9147.4-166.131.8-36.7000115.6
242A33.3Very low34.8Very low90 Ų90138.1 Ų138.174%0.74479%0.793SS**PPolyproline II helixtrans-81.2141.9164.400000111.1
243P37.2Very low35.3Very low123 Ų123141.8 Ų141.880%0.79980%0.795SS**PPolyproline II helixtrans-75.2145.4-177.130.3-35000112.7
244N33.9Very low35.7Very low151 Ų151139.6 Ų139.681%0.80779%0.789SS**PPolyproline II helixtrans-67.8131.5167.7-77.2-96.7000109.8
245L32.8Very low36.5Very low176 Ų176141.4 Ų141.492%0.92179%0.788SS**  trans-108.4127.9152.6-87.7171.9000108.6
246V34.3Very low36.9Very low135 Ų135142.5 Ų142.582%0.81879%0.788SS**  trans-93.6-179.4-173-164.30000109.6
247A32.7Very low37.8Very low80 Ų80143.8 Ų143.866%0.66178%0.781SS**  trans74.170.8175.900000115.9E249A247-E249 PolarHBondContact O-N 2.83Å
248Q41.4Very low38.7Very low206 Ų206142.9 Ų142.996%0.96378%0.777SS**  trans-59.6103136.7171.5-168.9-19.300108
249E34.6Very low39.2Very low163 Ų163143.2 Ų143.276%0.76278%0.781SS**  trans-142.6139.1171.5-171.815178.700112.4A247A247-E249 PolarHBondContact O-N 2.83Å
250N41.9Very low40.1Very low151 Ų151142.8 Ų142.881%0.80777%0.772SS**  trans11.8111.8170.4-79.2-78000119.3
251R31.3Very low40.2Very low230 Ų230142.9 Ų142.987%0.86878%0.781SS**  trans-133.1130.8145.8-162.6173.6-60.5-107.5-3.1108.1
252P36.5Very low40.9Very low118 Ų118145 Ų14577%0.76678%0.781SS**  trans-64.4148.8-175.925.3-34.2000112.1N254P252-N254 PolarHBondContact O-N 2.79Å; P252-N254 VanDerWaalsContact O-N 3.12Å
253M38.8Very low41.6Very low173 Ų173145 Ų14585%0.85279%0.79SS**  trans-65.6103.7-178-16977.2147.900110.7E255M253-E255 PolarHBondContact O-N 3.23Å
254N38.4Very low42.4Very low106 Ų106141.3 Ų141.357%0.56777%0.774SS**  trans-89.5100.8167.9-17929.7000109.8P252 N256P252-N254 PolarHBondContact O-N 2.79Å; P252-N254 VanDerWaalsContact O-N 3.12Å; N254-N256 PolarHBondContact ND2-OD1 3.3Å; N254-N256 PolarHBondContact O-N 3.06Å; N254-N256 PolarHBondContact OD1-OD1 3.44Å
255E46.5Very low43.1Very low181 Ų181139.9 Ų139.985%0.84677%0.773SS**THydrogen-bonded Turntrans-78.446.1-173.4-159175.194.700113.5M253M253-E255 PolarHBondContact O-N 3.23Å
256N45.7Very low44Very low120 Ų120135.8 Ų135.864%0.64276%0.755SS**THydrogen-bonded Turntrans-142.510.7168.783.7-16.2000115.4N254 Q258N254-N256 PolarHBondContact ND2-OD1 3.3Å; N254-N256 PolarHBondContact O-N 3.06Å; N254-N256 PolarHBondContact OD1-OD1 3.44Å; N256-Q258 PolarHBondContact O-N 2.89Å
257V47.8Very low45Very low104 Ų104136.9 Ų136.963%0.6376%0.756SS**  trans-66.398.2174-1790000109.5M259V257-M259 PolarHBondContact O-N 2.99Å
258Q49.7Very low46Very low187 Ų187136.2 Ų136.287%0.87474%0.741SS**  trans-64.8100.4177.3-171.9175.821.500109.6N256 N260N256-Q258 PolarHBondContact O-N 2.89Å; Q258-N260 PolarHBondContact O-N 3.34Å
259M44.2Very low46.6Very low174 Ų174132.7 Ų132.786%0.85772%0.724SS**  trans-6998.8-176.6-65.3-177.8-177.900110.7V257V257-M259 PolarHBondContact O-N 2.99Å
260N56.7Low47.6Very low105 Ų105129.3 Ų129.356%0.56171%0.709SS**  trans-58.4137.1163.8-174.92.8000109.1Q258 Q262Q258-N260 PolarHBondContact O-N 3.34Å; N260-Q262 PolarHBondContact O-N 3.35Å
261A47.8Very low48.3Very low107 Ų107124.5 Ų124.588%0.88468%0.683SS**SBendtrans-69.412.4-17700000114.4
262Q53.4Low49.5Very low164 Ų164121.6 Ų121.677%0.76668%0.677SS**SBendtrans-138.796.1179-169.4144.793.300107.6N260 G264N260-Q262 PolarHBondContact O-N 3.35Å; Q262-G264 PolarHBondContact O-N 2.89Å
263G48.3Very low50.4Low90 Ų90120.8 Ų120.893%0.92867%0.666SS**  trans-68.389.1-161.800000115.1
264G54.5Low51.5Low46 Ų46119.3 Ų119.347%0.47465%0.651SS.*  trans-129.7150.9162.900000110.4Q262 V266Q262-G264 PolarHBondContact O-N 2.89Å; G264-V266 PolarHBondContact O-N 2.82Å
265P47.2Very low53.1Low122 Ų122118.6 Ų118.679%0.79265%0.647SS**  trans-71101.9177.229.5-33.5000109.9L267P265-L267 PolarHBondContact O-N 3Å
266V51.3Low54.8Low89 Ų89117.1 Ų117.154%0.53963%0.634SS.*  trans-7284171.6-172.70000108.1G264 N268G264-V266 PolarHBondContact O-N 2.82Å; V266-N268 PolarHBondContact O-N 3.47Å
267L56.6Low56.3Low158 Ų158116 Ų11683%0.82763%0.627SS**  trans-7745.3173.6-78.1179.4000112.3P265 E269P265-L267 PolarHBondContact O-N 3Å; L267-E269 VanDerWaalsContact C-N 3.27Å; L267-E269 PolarHBondContact O-N 3.15Å
268N54.3Low57.7Low66 Ų66115.2 Ų115.235%0.35362%0.62SS.*  trans43.146.9153.6-155.27000115.7V266 E270 D271V266-N268 PolarHBondContact O-N 3.47Å; N268-E270 PolarHBondContact O-N 2.82Å; N268-D271 VanDerWaalsContact CG-CG 3.5Å; N268-D271 WeakPolarHBondContact ND2-CB 3.37Å; N268-D271 PolarHBondContact ND2-OD2 3.13Å; N268-D271 WeakPolarHBondContact OD1-CB 3.09Å; N268-D271 PolarHBondContact OD1-N 3.36Å; N268-D271 VanDerWaalsContact OD1-N 3.12Å; N268-D271 PolarHBondContact OD1-OD1 3.21Å; N268-D271 PolarHBondContact OD1-OD2 3.1Å
269E53.5Low59.2Low132 Ų132114.7 Ų114.762%0.61761%0.61SS**Hα-helixtrans-70.1-18.2172.354-178.4104.600111.1L267 N273L267-E269 VanDerWaalsContact C-N 3.27Å; L267-E269 PolarHBondContact O-N 3.15Å; E269-N273 WeakPolarHBondContact O-CB 3.46Å; E269-N273 PolarHBondContact O-N 3.37Å; E269-N273 PolarHBondContact O-ND2 3.24Å
270E55.4Low61.1Low93 Ų93111.1 Ų111.144%0.43559%0.593SS.*Hα-helixtrans-72.8-45.8175.1-58.387.716400113.5N268 N273 R274N268-E270 PolarHBondContact O-N 2.82Å; E270-N273 PolarHBondContact O-N 3.35Å; E270-R274 WeakPolarHBondContact O-CB 3.37Å; E270-R274 WeakPolarHBondContact O-CD 3.38Å; E270-R274 WeakPolarHBondContact O-CG 3.32Å; E270-R274 PolarHBondContact O-N 3.34Å
271D57.2Low62.3Low50 Ų50112.3 Ų112.327%0.26759%0.59SS.*Hα-helixtrans-61.6-50.7178.3-78.3-2000110.2N268 N273 R274 D275N268-D271 VanDerWaalsContact CG-CG 3.5Å; N268-D271 WeakPolarHBondContact ND2-CB 3.37Å; N268-D271 PolarHBondContact ND2-OD2 3.13Å; N268-D271 WeakPolarHBondContact OD1-CB 3.09Å; N268-D271 PolarHBondContact OD1-N 3.36Å; N268-D271 VanDerWaalsContact OD1-N 3.12Å; N268-D271 PolarHBondContact OD1-OD1 3.21Å; N268-D271 PolarHBondContact OD1-OD2 3.1Å; D271-N273 PolarHBondContact O-N 2.87Å; D271-R274 CarbonylContact O-C 3.52Å; D271-R274 WeakPolarHBondContact O-CA 3.13Å; D271-R274 PolarHBondContact O-N 3.39Å; D271-R274 IonicContact OD1-CZ 3.24Å; D271-R274 IonicContact OD1-NH1 2.67Å; D271-R274 PolarHBondContact OD1-NH1 2.76Å; D271-R274 IonicContact OD1-NH2 3.07Å; D271-R274 PolarHBondContact OD1-NH2 3.24Å; D271-D275 WeakPolarHBondContact O-CB 3.43Å; D271-D275 PolarHBondContact O-N 2.99Å
272F55Low64Low168 Ų168110.9 Ų110.974%0.73757%0.57SS**Hα-helixtrans-56.1-30.9177.5-92.3-81.2000113.9
273N56.3Low65.6Low101 Ų101109 Ų10954%0.5456%0.56SS.*Hα-helixtrans-87-21.2176.2-80.9-79.8000114E269 E270 D271 W276E269-N273 WeakPolarHBondContact O-CB 3.46Å; E269-N273 PolarHBondContact O-N 3.37Å; E269-N273 PolarHBondContact O-ND2 3.24Å; E270-N273 PolarHBondContact O-N 3.35Å; D271-N273 PolarHBondContact O-N 2.87Å; N273-W276 VanDerWaalsContact O-CD1 3.27Å; N273-W276 PolarHBondContact O-NE1 2.98Å; N273-W276 VanDerWaalsContact O-NE1 3.15Å
274R60.8Low67.5Low143 Ų143107 Ų10754%0.5453%0.532SS..Hα-helixtrans-79.3-42.5170.3-82152.547.9-137.5-17.4111E270 D271 W276 L277 D278E270-R274 WeakPolarHBondContact O-CB 3.37Å; E270-R274 WeakPolarHBondContact O-CD 3.38Å; E270-R274 WeakPolarHBondContact O-CG 3.32Å; E270-R274 PolarHBondContact O-N 3.34Å; D271-R274 CarbonylContact O-C 3.52Å; D271-R274 WeakPolarHBondContact O-CA 3.13Å; D271-R274 PolarHBondContact O-N 3.39Å; D271-R274 IonicContact OD1-CZ 3.24Å; D271-R274 IonicContact OD1-NH1 2.67Å; D271-R274 PolarHBondContact OD1-NH1 2.76Å; D271-R274 IonicContact OD1-NH2 3.07Å; D271-R274 PolarHBondContact OD1-NH2 3.24Å; R274-W276 PolarHBondContact O-N 2.91Å; R274-L277 PolarHBondContact O-N 3.35Å; R274-D278 WeakPolarHBondContact O-CB 3.41Å; R274-D278 PolarHBondContact O-N 3.43Å
275D71.9Confident69Low90 Ų90111.9 Ų111.948%0.48154%0.536SS..Hα-helixtrans-57.5-47-173.4-73-18.9000113.1D271 L277 D278 W279D271-D275 WeakPolarHBondContact O-CB 3.43Å; D271-D275 PolarHBondContact O-N 2.99Å; D275-L277 VanDerWaalsContact C-N 3.31Å; D275-L277 PolarHBondContact O-N 3.33Å; D275-D278 PolarHBondContact O-N 3.3Å; D275-W279 WeakPolarHBondContact O-CA 3.26Å; D275-W279 WeakPolarHBondContact O-CB 3.47Å; D275-W279 PolarHBondContact O-N 3.07Å
276W83.3Confident70.8Confident150 Ų150108.6 Ų108.657%0.56852%0.519SS*.Hα-helixtrans-67.2-33-177.777.4-87000112.7N273 R274 M280N273-W276 VanDerWaalsContact O-CD1 3.27Å; N273-W276 PolarHBondContact O-NE1 2.98Å; N273-W276 VanDerWaalsContact O-NE1 3.15Å; R274-W276 PolarHBondContact O-N 2.91Å; W276-M280 VanDerWaalsContact O-CB 3.31Å; W276-M280 WeakPolarHBondContact O-CB 3.14Å; W276-M280 WeakPolarHBondContact O-CG 3.49Å; W276-M280 PolarHBondContact O-N 3.29Å
277L77.7Confident72.3Confident96 Ų96106.3 Ų106.350%0.50351%0.51SS..Hα-helixtrans-78.4-43.6176.7-91.7164.3000111.8R274 D275 M280 Y281R274-L277 PolarHBondContact O-N 3.35Å; D275-L277 VanDerWaalsContact C-N 3.31Å; D275-L277 PolarHBondContact O-N 3.33Å; L277-M280 PolarHBondContact O-N 3.26Å; L277-Y281 WeakPolarHBondContact O-CB 3.46Å; L277-Y281 PolarHBondContact O-N 3.07Å
278D77.2Confident73.7Confident89 Ų89103.7 Ų103.748%0.47650%0.495SS..Hα-helixtrans-75.2-31-179-164.349.1000112.3R274 D275 Y281 T282R274-D278 WeakPolarHBondContact O-CB 3.41Å; R274-D278 PolarHBondContact O-N 3.43Å; D275-D278 PolarHBondContact O-N 3.3Å; D278-Y281 PolarHBondContact O-N 3.48Å; D278-T282 WeakPolarHBondContact O-CB 3.49Å; D278-T282 PolarHBondContact O-N 3.31Å; D278-T282 PolarHBondContact O-OG1 3.38Å
279W80.7Confident75.1Confident175 Ų175105.5 Ų105.566%0.66350%0.504SS*.Hα-helixtrans-64.9-47.5167.9-17587.3000111.1D275 Y281 F283D275-W279 WeakPolarHBondContact O-CA 3.26Å; D275-W279 WeakPolarHBondContact O-CB 3.47Å; D275-W279 PolarHBondContact O-N 3.07Å; W279-Y281 VanDerWaalsContact C-N 3.34Å; W279-Y281 PolarHBondContact O-N 2.85Å; W279-F283 WeakPolarHBondContact O-CB 3.33Å; W279-F283 PolarHBondContact O-N 2.8Å
280M83.1Confident76.4Confident100 Ų100102 Ų10249%0.49349%0.489SS..Hα-helixtrans-63.3-38.6174.9-78.6-65.1-62.700112.3W276 L277 S284W276-M280 VanDerWaalsContact O-CB 3.31Å; W276-M280 WeakPolarHBondContact O-CB 3.14Å; W276-M280 WeakPolarHBondContact O-CG 3.49Å; W276-M280 PolarHBondContact O-N 3.29Å; L277-M280 PolarHBondContact O-N 3.26Å; M280-S284 VanDerWaalsContact O-CB 3.29Å; M280-S284 WeakPolarHBondContact O-CB 3.37Å; M280-S284 PolarHBondContact O-N 3.35Å; M280-S284 PolarHBondContact O-OG 3.11Å
281Y83.6Confident77.5Confident130 Ų130100 Ų10051%0.5149%0.486SS..Hα-helixtrans-67.9-50.4177.3173.2-119.5000111.3L277 D278 W279 F283 S284 R285L277-Y281 WeakPolarHBondContact O-CB 3.46Å; L277-Y281 PolarHBondContact O-N 3.07Å; D278-Y281 PolarHBondContact O-N 3.48Å; W279-Y281 VanDerWaalsContact C-N 3.34Å; W279-Y281 PolarHBondContact O-N 2.85Å; Y281-F283 PolarHBondContact O-N 2.86Å; Y281-S284 PolarHBondContact O-N 3.3Å; Y281-S284 VanDerWaalsContact O-N 3.14Å; Y281-S284 PolarHBondContact O-OG 2.98Å; Y281-R285 WeakPolarHBondContact O-CB 3.41Å; Y281-R285 PolarHBondContact O-N 2.85Å
282T82.8Confident78.7Confident76 Ų76102 Ų10247%0.46650%0.496SS..Hα-helixtrans-61-42.3176-67.50000111.4D278 R285 A286D278-T282 WeakPolarHBondContact O-CB 3.49Å; D278-T282 PolarHBondContact O-N 3.31Å; D278-T282 PolarHBondContact O-OG1 3.38Å; T282-R285 PolarHBondContact O-N 2.93Å; T282-A286 VanDerWaalsContact O-CB 3.29Å; T282-A286 WeakPolarHBondContact O-CB 3.48Å; T282-A286 PolarHBondContact O-N 2.83Å
283F87.4Confident79.8Confident124 Ų12497.3 Ų97.354%0.54448%0.481SS..Hα-helixtrans-61.6-44.5172-178.7-96000111.7W279 Y281 R285 A286 A287W279-F283 WeakPolarHBondContact O-CB 3.33Å; W279-F283 PolarHBondContact O-N 2.8Å; Y281-F283 PolarHBondContact O-N 2.86Å; F283-R285 VanDerWaalsContact C-N 3.35Å; F283-R285 PolarHBondContact O-N 3.24Å; F283-A286 PolarHBondContact O-N 3.29Å; F283-A287 VanDerWaalsContact O-CB 3.28Å; F283-A287 WeakPolarHBondContact O-CB 3.37Å; F283-A287 PolarHBondContact O-N 2.99Å
284S88.4Confident80.9Confident49 Ų4997.8 Ų97.834%0.34348%0.476SS..Hα-helixtrans-63.7-39.2176.479.50000112.4M280 Y281 A287 I288M280-S284 VanDerWaalsContact O-CB 3.29Å; M280-S284 WeakPolarHBondContact O-CB 3.37Å; M280-S284 PolarHBondContact O-N 3.35Å; M280-S284 PolarHBondContact O-OG 3.11Å; Y281-S284 PolarHBondContact O-N 3.3Å; Y281-S284 VanDerWaalsContact O-N 3.14Å; Y281-S284 PolarHBondContact O-OG 2.98Å; S284-A287 PolarHBondContact O-N 2.88Å; S284-I288 WeakPolarHBondContact O-CB 3.49Å; S284-I288 WeakPolarHBondContact O-CD1 3.41Å; S284-I288 VanDerWaalsContact O-CG1 3.25Å; S284-I288 WeakPolarHBondContact O-CG1 3.37Å; S284-I288 PolarHBondContact O-N 2.79Å
285R86Confident81.7Confident149 Ų14998.7 Ų98.756%0.56248%0.484SS*.Hα-helixtrans-68.5-42.3178.4-171.1177.4-177.7-167.70.8111Y281 T282 F283 I288 L289Y281-R285 WeakPolarHBondContact O-CB 3.41Å; Y281-R285 PolarHBondContact O-N 2.85Å; T282-R285 PolarHBondContact O-N 2.93Å; F283-R285 VanDerWaalsContact C-N 3.35Å; F283-R285 PolarHBondContact O-N 3.24Å; R285-I288 PolarHBondContact O-N 2.97Å; R285-L289 HydrophobicContact CG-CD1 4.45Å; R285-L289 WeakPolarHBondContact O-CB 3.25Å; R285-L289 VanDerWaalsContact O-CG 3.27Å; R285-L289 WeakPolarHBondContact O-CG 3.41Å; R285-L289 PolarHBondContact O-N 2.81Å
286A84.8Confident81.9Confident52 Ų52104.5 Ų104.543%0.4350%0.501SS..Hα-helixtrans-61.7-45.617100000111.2T282 F283 I288 L289 L290T282-A286 VanDerWaalsContact O-CB 3.29Å; T282-A286 WeakPolarHBondContact O-CB 3.48Å; T282-A286 PolarHBondContact O-N 2.83Å; F283-A286 PolarHBondContact O-N 3.29Å; A286-I288 PolarHBondContact O-N 3.4Å; A286-L289 PolarHBondContact O-N 2.86Å; A286-L290 WeakPolarHBondContact O-CB 3.48Å; A286-L290 PolarHBondContact O-N 2.93Å
287A82.9Confident81.6Confident42 Ų4299.4 Ų99.435%0.34749%0.488SS..Hα-helixtrans-64.5-35177.900000113.3F283 S284 S291F283-A287 VanDerWaalsContact O-CB 3.28Å; F283-A287 WeakPolarHBondContact O-CB 3.37Å; F283-A287 PolarHBondContact O-N 2.99Å; S284-A287 PolarHBondContact O-N 2.88Å; A287-S291 VanDerWaalsContact O-CB 3.28Å; A287-S291 WeakPolarHBondContact O-CB 3.29Å; A287-S291 PolarHBondContact O-N 2.87Å
288I85.3Confident81.5Confident103 Ų10397.8 Ų97.853%0.52849%0.485SS..Hα-helixtrans-70.4-46174.1-70.5163000110.9S284 R285 A286 L290 S291 I292S284-I288 WeakPolarHBondContact O-CB 3.49Å; S284-I288 WeakPolarHBondContact O-CD1 3.41Å; S284-I288 VanDerWaalsContact O-CG1 3.25Å; S284-I288 WeakPolarHBondContact O-CG1 3.37Å; S284-I288 PolarHBondContact O-N 2.79Å; R285-I288 PolarHBondContact O-N 2.97Å; A286-I288 PolarHBondContact O-N 3.4Å; I288-L290 VanDerWaalsContact C-N 3.29Å; I288-L290 PolarHBondContact O-N 2.85Å; I288-S291 WeakPolarHBondContact O-CB 3.14Å; I288-S291 PolarHBondContact O-N 2.95Å; I288-I292 HydrophobicContact CG2-CD1 4.07Å; I288-I292 WeakPolarHBondContact O-CG1 3.37Å; I288-I292 PolarHBondContact O-N 3.39Å
289L83.6Confident81.5Confident103 Ų103100.2 Ų100.254%0.53949%0.491SS..Hα-helixtrans-59.9-42.4173.9-71.5168.4000111.2R285 A286 I292 V293R285-L289 HydrophobicContact CG-CD1 4.45Å; R285-L289 WeakPolarHBondContact O-CB 3.25Å; R285-L289 VanDerWaalsContact O-CG 3.27Å; R285-L289 WeakPolarHBondContact O-CG 3.41Å; R285-L289 PolarHBondContact O-N 2.81Å; A286-L289 PolarHBondContact O-N 2.86Å; L289-I292 PolarHBondContact O-N 3.07Å; L289-V293 WeakPolarHBondContact O-CG2 3.35Å; L289-V293 PolarHBondContact O-N 2.67Å
290L81.8Confident81.3Confident58 Ų5895.6 Ų95.630%0.30449%0.485SS..Hα-helixtrans-61.4-43.9175.9-172.967.4000111.8A286 I288 V293 Y294 F302 M306A286-L290 WeakPolarHBondContact O-CB 3.48Å; A286-L290 PolarHBondContact O-N 2.93Å; I288-L290 VanDerWaalsContact C-N 3.29Å; I288-L290 PolarHBondContact O-N 2.85Å; L290-V293 PolarHBondContact O-N 3.34Å; L290-Y294 WeakPolarHBondContact O-CB 3.23Å; L290-Y294 PolarHBondContact O-N 2.74Å; L290-F302 HydrophobicContact CD1-CD2 4.47Å; L290-F302 HydrophobicContact CD1-CE2 3.35Å; L290-F302 HydrophobicContact CD1-CZ 3.52Å; L290-F302 HydrophobicContact CD2-CZ 4.24Å; L290-F302 HydrophobicContact CG-CE2 3.74Å; L290-F302 HydrophobicContact CG-CZ 3.71Å; L290-F302 WeakPolarHBondContact O-CE2 3.45Å; L290-M306 HydrophobicContact CD1-CE 3.9Å; L290-M306 HydrophobicContact CD1-CG 3.56Å; L290-M306 HydrophobicContact CD1-SD 3.27Å; L290-M306 WeakPolarHBondContact CD1-SD 3.22Å; L290-M306 HydrophobicContact CD2-CE 4.17Å
291S78Confident81.2Confident52 Ų5298.8 Ų98.836%0.36449%0.492SS..Hα-helixtrans-60.1-43.7174.3-178.80000111.7A287 I288 Y294 F295A287-S291 VanDerWaalsContact O-CB 3.28Å; A287-S291 WeakPolarHBondContact O-CB 3.29Å; A287-S291 PolarHBondContact O-N 2.87Å; I288-S291 WeakPolarHBondContact O-CB 3.14Å; I288-S291 PolarHBondContact O-N 2.95Å; S291-Y294 WeakPolarHBondContact O-CB 3.49Å; S291-Y294 PolarHBondContact O-N 3.28Å; S291-F295 WeakPolarHBondContact O-CD2 3.35Å; S291-F295 PolarHBondContact O-N 3.38Å; S291-F295 WeakPolarHBondContact OG-CE2 3.26Å
292I81.8Confident81.1Confident92 Ų9293.7 Ų93.747%0.47247%0.472SS..Hα-helixtrans-63.4-45.2176.5-66.3162.2000110.9I288 L289 Y294 F295 Y296I288-I292 HydrophobicContact CG2-CD1 4.07Å; I288-I292 WeakPolarHBondContact O-CG1 3.37Å; I288-I292 PolarHBondContact O-N 3.39Å; L289-I292 PolarHBondContact O-N 3.07Å; I292-Y294 VanDerWaalsContact C-N 3.31Å; I292-Y294 PolarHBondContact O-N 3.12Å; I292-F295 PolarHBondContact O-N 3.09Å; I292-Y296 PolarHBondContact O-N 2.88Å; I292-Y296 VanDerWaalsContact O-N 3.09Å
293V77.8Confident81.2Confident70 Ų7094.2 Ų94.242%0.42447%0.471SS..Hα-helixtrans-65.3-33.6176.2174.60000111.8L289 L290 S297 F302L289-V293 WeakPolarHBondContact O-CG2 3.35Å; L289-V293 PolarHBondContact O-N 2.67Å; L290-V293 PolarHBondContact O-N 3.34Å; V293-S297 WeakPolarHBondContact O-CB 3.4Å; V293-S297 PolarHBondContact O-N 3.1Å; V293-S297 VanDerWaalsContact O-N 3.15Å; V293-F302 HydrophobicContact CG1-CD2 4.32Å
294Y79.9Confident80.9Confident110 Ų11094.7 Ų94.743%0.43148%0.477SS..Hα-helixtrans-64.4-49.4172.7177.8-92000111.8L290 S291 I292 Y296 S297 F299 F302L290-Y294 WeakPolarHBondContact O-CB 3.23Å; L290-Y294 PolarHBondContact O-N 2.74Å; S291-Y294 WeakPolarHBondContact O-CB 3.49Å; S291-Y294 PolarHBondContact O-N 3.28Å; I292-Y294 VanDerWaalsContact C-N 3.31Å; I292-Y294 PolarHBondContact O-N 3.12Å; Y294-Y296 VanDerWaalsContact C-N 3.26Å; Y294-Y296 PolarHBondContact O-N 2.83Å; Y294-S297 PolarHBondContact O-N 3.22Å; Y294-F299 HydrophobicContact CE2-CD2 4.17Å; Y294-F302 AromaticContact CD2-CD1 3.93Å; Y294-F302 HydrophobicContact CD2-CD1 3.93Å; Y294-F302 HydrophobicContact CD2-CD2 4.11Å; Y294-F302 AromaticContact CD2-CE1 3.95Å; Y294-F302 HydrophobicContact CD2-CE1 3.95Å; Y294-F302 HydrophobicContact CD2-CE2 4.11Å; Y294-F302 HydrophobicContact CD2-CG 4.01Å; Y294-F302 HydrophobicContact CD2-CZ 4.04Å; Y294-F302 HydrophobicContact CG-CD2 4.46Å; Y294-F302 HydrophobicContact CG-CE2 4.38Å
295F76.8Confident80.7Confident163 Ų16396.7 Ų96.772%0.71549%0.487SS*.Hα-helixtrans-67-24.5179.6-78.3-65.2000113.7S291 I292S291-F295 WeakPolarHBondContact O-CD2 3.35Å; S291-F295 PolarHBondContact O-N 3.38Å; S291-F295 WeakPolarHBondContact OG-CE2 3.26Å; I292-F295 PolarHBondContact O-N 3.09Å
296Y76.8Confident80.6Confident212 Ų21293.1 Ų93.183%0.83148%0.477SS*.THydrogen-bonded Turntrans-972.2177.3-89.8-91.5000115I292 Y294I292-Y296 PolarHBondContact O-N 2.88Å; I292-Y296 VanDerWaalsContact O-N 3.09Å; Y294-Y296 VanDerWaalsContact C-N 3.26Å; Y294-Y296 PolarHBondContact O-N 2.83Å
297S76.8Confident80.5Confident42 Ų4292.1 Ų92.129%0.29447%0.473SS..SBendtrans-134.8152.6-175.2-162.90000112.7V293 Y294 R301V293-S297 WeakPolarHBondContact O-CB 3.4Å; V293-S297 PolarHBondContact O-N 3.1Å; V293-S297 VanDerWaalsContact O-N 3.15Å; Y294-S297 PolarHBondContact O-N 3.22Å; S297-R301 WeakPolarHBondContact OG-CB 3.46Å
298S75.8Confident80.5Confident63 Ų6392.7 Ų92.744%0.44148%0.477SS..  trans-72.7142.7173.461.30000110.4S300 R301 F302S298-S300 PolarHBondContact O-N 2.83Å; S298-R301 WeakPolarHBondContact O-CA 3.09Å; S298-R301 PolarHBondContact O-N 2.97Å; S298-R301 WeakPolarHBondContact OG-CD 3.26Å; S298-R301 WeakPolarHBondContact OG-CG 3.41Å; S298-F302 PolarHBondContact O-N 2.81Å
299F77.9Confident80.4Confident139 Ų13994.4 Ų94.461%0.6149%0.485SS*.Hα-helixtrans-45.6-44.7-174.8-179.7-101.4000113.9Y294 F302 I303Y294-F299 HydrophobicContact CE2-CD2 4.17Å; F299-F302 PolarHBondContact O-N 3.22Å; F299-I303 HydrophobicContact CE1-CG1 4.16Å; F299-I303 HydrophobicContact CE2-CD1 4.38Å; F299-I303 HydrophobicContact CE2-CG1 4.22Å; F299-I303 HydrophobicContact CZ-CD1 4.31Å; F299-I303 HydrophobicContact CZ-CG1 4.01Å; F299-I303 WeakPolarHBondContact O-CG1 3.48Å; F299-I303 PolarHBondContact O-N 2.89Å
300S75.3Confident80.4Confident78 Ų7894.2 Ų94.255%0.54548%0.484SS..Hα-helixtrans-61.1-45.7175.9167.50000113.2S298 I303 M304S298-S300 PolarHBondContact O-N 2.83Å; S300-I303 PolarHBondContact O-N 3.12Å; S300-M304 WeakPolarHBondContact O-CG 3.2Å; S300-M304 PolarHBondContact O-N 3.06Å
301R81.1Confident80.6Confident167 Ų16797 Ų9763%0.6350%0.498SS*.Hα-helixtrans-67.5-39.9178.7-68.6177.8-177.4166.4-0.1111.4S297 S298 M304 V305S297-R301 WeakPolarHBondContact OG-CB 3.46Å; S298-R301 WeakPolarHBondContact O-CA 3.09Å; S298-R301 PolarHBondContact O-N 2.97Å; S298-R301 WeakPolarHBondContact OG-CD 3.26Å; S298-R301 WeakPolarHBondContact OG-CG 3.41Å; R301-M304 PolarHBondContact O-N 3.14Å; R301-V305 WeakPolarHBondContact O-CG2 3.43Å; R301-V305 PolarHBondContact O-N 3.14Å
302F83.3Confident80.8Confident23 Ų2398.5 Ų98.510%0.10151%0.505CS..Hα-helixtrans-56.9-50173.2170.9-94.2000111.8L290 V293 Y294 S298 F299 M304 V305 M306L290-F302 HydrophobicContact CD1-CD2 4.47Å; L290-F302 HydrophobicContact CD1-CE2 3.35Å; L290-F302 HydrophobicContact CD1-CZ 3.52Å; L290-F302 HydrophobicContact CD2-CZ 4.24Å; L290-F302 HydrophobicContact CG-CE2 3.74Å; L290-F302 HydrophobicContact CG-CZ 3.71Å; L290-F302 WeakPolarHBondContact O-CE2 3.45Å; V293-F302 HydrophobicContact CG1-CD2 4.32Å; Y294-F302 AromaticContact CD2-CD1 3.93Å; Y294-F302 HydrophobicContact CD2-CD1 3.93Å; Y294-F302 HydrophobicContact CD2-CD2 4.11Å; Y294-F302 AromaticContact CD2-CE1 3.95Å; Y294-F302 HydrophobicContact CD2-CE1 3.95Å; Y294-F302 HydrophobicContact CD2-CE2 4.11Å; Y294-F302 HydrophobicContact CD2-CG 4.01Å; Y294-F302 HydrophobicContact CD2-CZ 4.04Å; Y294-F302 HydrophobicContact CG-CD2 4.46Å; Y294-F302 HydrophobicContact CG-CE2 4.38Å; S298-F302 PolarHBondContact O-N 2.81Å; F299-F302 PolarHBondContact O-N 3.22Å; F302-M304 PolarHBondContact O-N 2.99Å; F302-V305 PolarHBondContact O-N 2.99Å; F302-M306 HydrophobicContact CE2-CG 4.41Å; F302-M306 HydrophobicContact CZ-CG 4.25Å; F302-M306 PolarHBondContact O-N 2.95Å
303I83.7Confident80.8Confident87 Ų87101.3 Ų101.345%0.44651%0.511SS..Hα-helixtrans-64-38.9177.9-66.2-63.5000111.8F299 S300 M306 G307F299-I303 HydrophobicContact CE1-CG1 4.16Å; F299-I303 HydrophobicContact CE2-CD1 4.38Å; F299-I303 HydrophobicContact CE2-CG1 4.22Å; F299-I303 HydrophobicContact CZ-CD1 4.31Å; F299-I303 HydrophobicContact CZ-CG1 4.01Å; F299-I303 WeakPolarHBondContact O-CG1 3.48Å; F299-I303 PolarHBondContact O-N 2.89Å; S300-I303 PolarHBondContact O-N 3.12Å; I303-M306 PolarHBondContact O-N 2.85Å; I303-G307 PolarHBondContact O-N 3.4Å
304M81.9Confident81Confident135 Ų135100.3 Ų100.367%0.66550%0.503SS*.Hα-helixtrans-64.7-43.9175.9-67.9-145.2-54.900112.8S300 R301 F302 G307 A308S300-M304 WeakPolarHBondContact O-CG 3.2Å; S300-M304 PolarHBondContact O-N 3.06Å; R301-M304 PolarHBondContact O-N 3.14Å; F302-M304 PolarHBondContact O-N 2.99Å; M304-G307 PolarHBondContact O-N 2.65Å; M304-A308 WeakPolarHBondContact O-CB 3.05Å; M304-A308 PolarHBondContact O-N 3.07Å
305V83.1Confident80.8Confident90 Ų90102.1 Ų102.155%0.54552%0.515SS..Hα-helixtrans-64.9-40.4177.9172.60000111.1R301 F302 A308 M309R301-V305 WeakPolarHBondContact O-CG2 3.43Å; R301-V305 PolarHBondContact O-N 3.14Å; F302-V305 PolarHBondContact O-N 2.99Å; V305-A308 PolarHBondContact O-N 2.97Å; V305-M309 PolarHBondContact O-N 2.93Å
306M83.8Confident80.5Confident74 Ų74101.5 Ų101.537%0.36551%0.514SS..Hα-helixtrans-67.4-41.6175-84.4-61.8-74.200113.2L290 F302 I303 A308 M309 L310L290-M306 HydrophobicContact CD1-CE 3.9Å; L290-M306 HydrophobicContact CD1-CG 3.56Å; L290-M306 HydrophobicContact CD1-SD 3.27Å; L290-M306 WeakPolarHBondContact CD1-SD 3.22Å; L290-M306 HydrophobicContact CD2-CE 4.17Å; F302-M306 HydrophobicContact CE2-CG 4.41Å; F302-M306 HydrophobicContact CZ-CG 4.25Å; F302-M306 PolarHBondContact O-N 2.95Å; I303-M306 PolarHBondContact O-N 2.85Å; M306-A308 VanDerWaalsContact C-N 3.33Å; M306-A308 PolarHBondContact O-N 2.89Å; M306-M309 PolarHBondContact O-N 2.65Å; M306-L310 WeakPolarHBondContact O-CB 3.45Å; M306-L310 PolarHBondContact O-N 3.43Å
307G84.4Confident80.2Confident32 Ų3294.5 Ų94.533%0.3350%0.5SS..Hα-helixtrans-61.2-41.9174.200000112I303 M304 L310 L311I303-G307 PolarHBondContact O-N 3.4Å; M304-G307 PolarHBondContact O-N 2.65Å; G307-L310 PolarHBondContact O-N 3.32Å; G307-L311 WeakPolarHBondContact O-CB 3.48Å; G307-L311 WeakPolarHBondContact O-CG 3.45Å; G307-L311 PolarHBondContact O-N 3.41Å
308A82.7Confident79.5Confident53 Ų5395.1 Ų95.144%0.43851%0.513SS..Hα-helixtrans-65.2-46176.200000112.5M304 V305 M306 L310 L311 V312M304-A308 WeakPolarHBondContact O-CB 3.05Å; M304-A308 PolarHBondContact O-N 3.07Å; V305-A308 PolarHBondContact O-N 2.97Å; M306-A308 VanDerWaalsContact C-N 3.33Å; M306-A308 PolarHBondContact O-N 2.89Å; A308-L310 VanDerWaalsContact C-N 3.34Å; A308-L310 PolarHBondContact O-N 3.17Å; A308-L311 PolarHBondContact O-N 3.47Å; A308-V312 WeakPolarHBondContact O-CG2 3.46Å; A308-V312 PolarHBondContact O-N 3.09Å
309M82.3Confident78.9Confident139 Ų139100.9 Ų100.969%0.68553%0.525SS*.Hα-helixtrans-66.3-37.5177.4-165-177.6-175.300111.8V305 M306 V312 Y313V305-M309 PolarHBondContact O-N 2.93Å; M306-M309 PolarHBondContact O-N 2.65Å; M309-V312 PolarHBondContact O-N 2.88Å; M309-Y313 WeakPolarHBondContact O-CB 3.45Å; M309-Y313 PolarHBondContact O-N 2.85Å
310L84.5Confident77.6Confident99 Ų99100.9 Ų100.952%0.51853%0.526SS..Hα-helixtrans-65.1-39.8174.4-176.164.4000111.9M306 G307 A308 Y313 L314M306-L310 WeakPolarHBondContact O-CB 3.45Å; M306-L310 PolarHBondContact O-N 3.43Å; G307-L310 PolarHBondContact O-N 3.32Å; A308-L310 VanDerWaalsContact C-N 3.34Å; A308-L310 PolarHBondContact O-N 3.17Å; L310-Y313 PolarHBondContact O-N 2.78Å; L310-L314 HydrophobicContact CD1-CD1 3.75Å; L310-L314 HydrophobicContact CG-CD1 4.15Å; L310-L314 WeakPolarHBondContact O-CB 3.42Å; L310-L314 WeakPolarHBondContact O-CD1 3.49Å; L310-L314 PolarHBondContact O-N 2.93Å
311L84.6Confident76.5Confident118 Ų118103 Ų10362%0.61854%0.538SS*.Hα-helixtrans-61.8-45.3173.8-84.9162.9000112G307 A308 Y313 L314 H315G307-L311 WeakPolarHBondContact O-CB 3.48Å; G307-L311 WeakPolarHBondContact O-CG 3.45Å; G307-L311 PolarHBondContact O-N 3.41Å; A308-L311 PolarHBondContact O-N 3.47Å; L311-Y313 VanDerWaalsContact C-N 3.31Å; L311-Y313 PolarHBondContact O-N 3.04Å; L311-L314 PolarHBondContact O-N 2.99Å; L311-H315 WeakPolarHBondContact O-CB 3.43Å; L311-H315 PolarHBondContact O-N 3.01Å
312V82.8Confident75Confident83 Ų83104.5 Ų104.550%0.50355%0.549SS..Hα-helixtrans-62.3-39.8174.8173.20000111.1A308 M309 H315 Q316A308-V312 WeakPolarHBondContact O-CG2 3.46Å; A308-V312 PolarHBondContact O-N 3.09Å; M309-V312 PolarHBondContact O-N 2.88Å; V312-H315 PolarHBondContact O-N 3.44Å; V312-Q316 WeakPolarHBondContact O-CG 3.35Å; V312-Q316 PolarHBondContact O-N 3.05Å
313Y80.9Confident73.2Confident151 Ų151114 Ų11459%0.59258%0.584SS**Hα-helixtrans-66.5-44176.2-178.2-104.9000112.7M309 L310 L311 H315 Q316 A317M309-Y313 WeakPolarHBondContact O-CB 3.45Å; M309-Y313 PolarHBondContact O-N 2.85Å; L310-Y313 PolarHBondContact O-N 2.78Å; L311-Y313 VanDerWaalsContact C-N 3.31Å; L311-Y313 PolarHBondContact O-N 3.04Å; Y313-H315 VanDerWaalsContact C-N 3.29Å; Y313-H315 PolarHBondContact O-N 3.24Å; Y313-Q316 PolarHBondContact O-N 3.04Å; Y313-A317 VanDerWaalsContact O-CB 3.26Å; Y313-A317 WeakPolarHBondContact O-CB 3.34Å; Y313-A317 PolarHBondContact O-N 2.89Å
314L81.9Confident71.1Confident49 Ų49118.4 Ų118.426%0.25760%0.603SS.*Hα-helixtrans-63.1-34.4174.9-98.556.7000112.5L310 L311 G318 W319L310-L314 HydrophobicContact CD1-CD1 3.75Å; L310-L314 HydrophobicContact CG-CD1 4.15Å; L310-L314 WeakPolarHBondContact O-CB 3.42Å; L310-L314 WeakPolarHBondContact O-CD1 3.49Å; L310-L314 PolarHBondContact O-N 2.93Å; L311-L314 PolarHBondContact O-N 2.99Å; L314-G318 PolarHBondContact O-N 3.5Å; L314-W319 HydrophobicContact CD2-CE3 3.82Å; L314-W319 HydrophobicContact CD2-CZ3 4.11Å; L314-W319 HydrophobicContact CG-CE3 4.26Å; L314-W319 PolarHBondContact O-N 3.25Å
315H76.6Confident69.3Low148 Ų148121.2 Ų121.269%0.68561%0.614SS**Hα-helixtrans-66.9-46.5173-174.5-82.7000111.5L311 V312 Y313 A317 G318L311-H315 WeakPolarHBondContact O-CB 3.43Å; L311-H315 PolarHBondContact O-N 3.01Å; V312-H315 PolarHBondContact O-N 3.44Å; Y313-H315 VanDerWaalsContact C-N 3.29Å; Y313-H315 PolarHBondContact O-N 3.24Å; H315-A317 VanDerWaalsContact C-N 3.32Å; H315-A317 PolarHBondContact O-N 2.91Å; H315-G318 PolarHBondContact O-N 3.12Å
316Q71.1Confident67.2Low150 Ų150120.3 Ų120.370%0.70162%0.623SS**Hα-helixtrans-65.2-33.2174.9-73179.5-3.100113V312 Y313 G318V312-Q316 WeakPolarHBondContact O-CG 3.35Å; V312-Q316 PolarHBondContact O-N 3.05Å; Y313-Q316 PolarHBondContact O-N 3.04Å; Q316-G318 PolarHBondContact O-N 3.39Å
317A70.8Confident65.2Low64 Ų64119.8 Ų119.853%0.52964%0.636SS.*THydrogen-bonded Turntrans-75.7-1.2176.600000113.9Y313 H315 W319Y313-A317 VanDerWaalsContact O-CB 3.26Å; Y313-A317 WeakPolarHBondContact O-CB 3.34Å; Y313-A317 PolarHBondContact O-N 2.89Å; H315-A317 VanDerWaalsContact C-N 3.32Å; H315-A317 PolarHBondContact O-N 2.91Å; A317-W319 VanDerWaalsContact C-N 3.31Å; A317-W319 PolarHBondContact O-N 2.99Å
318G60.8Low63Low56 Ų56127.4 Ų127.458%0.57766%0.663SS**THydrogen-bonded Turntrans66.626174.700000114.7L314 H315 Q316 F320L314-G318 PolarHBondContact O-N 3.5Å; H315-G318 PolarHBondContact O-N 3.12Å; Q316-G318 PolarHBondContact O-N 3.39Å; G318-F320 PolarHBondContact O-N 3.45Å
319W64.6Low60.8Low183 Ų183133.7 Ų133.769%0.69368%0.683SS**  trans-71.2-12.7-173.3-173.759.2000114.4L314 A317 P321L314-W319 HydrophobicContact CD2-CE3 3.82Å; L314-W319 HydrophobicContact CD2-CZ3 4.11Å; L314-W319 HydrophobicContact CG-CE3 4.26Å; L314-W319 PolarHBondContact O-N 3.25Å; A317-W319 VanDerWaalsContact C-N 3.31Å; A317-W319 PolarHBondContact O-N 2.99Å; W319-P321 WeakPolarHBondContact O-CD 3.36Å
320F49.2Very low58.7Low140 Ų140136.3 Ų136.361%0.61469%0.694SS**SBendtrans-81.1118.3171-82.5-82.4000110.9G318 F322G318-F320 PolarHBondContact O-N 3.45Å; F320-F322 PolarHBondContact O-N 2.89Å
321P53.3Low56.3Low123 Ų123135.6 Ų135.680%0.79970%0.703SS**  trans-74.513.7-178.632.6-37000113.9W319 R323W319-P321 WeakPolarHBondContact O-CD 3.36Å; P321-R323 PolarHBondContact O-N 3.47Å
322F48.4Very low54.2Low197 Ų197135.5 Ų135.586%0.86471%0.709SS**  trans-84.443.2178-114.9-84.5000112.6F320 Q324F320-F322 PolarHBondContact O-N 2.89Å; F322-Q324 PolarHBondContact O-N 3.34Å
323R45.7Very low51.9Low224 Ų224137.8 Ų137.885%0.84572%0.718SS**  trans-81.3103164.2-170.7172.3-166154.55.3107.4P321 E325P321-R323 PolarHBondContact O-N 3.47Å; R323-E325 PolarHBondContact O-N 3.27Å
324Q39.5Very low49.6Very low178 Ų178137.4 Ų137.483%0.83273%0.727SS**  trans-48.7130.5166.1-94.5177.9-23.500109.4F322 G326F322-Q324 PolarHBondContact O-N 3.34Å; Q324-G326 PolarHBondContact O-N 2.97Å
325E43.9Very low47.4Very low195 Ų195142 Ų14291%0.91175%0.752SS**  trans-76.267.6174.6-74.4172.562.200110R323 G327R323-E325 PolarHBondContact O-N 3.27Å; E325-G327 PolarHBondContact O-N 3.49Å
326G40.1Very low45.3Very low70 Ų70139.6 Ų139.672%0.72276%0.757SS**  trans-62.488.1162.700000108.8Q324 H328Q324-G326 PolarHBondContact O-N 2.97Å; G326-H328 PolarHBondContact O-N 3.33Å
327G41.8Very low43.8Very low63 Ų63141.9 Ų141.965%0.64977%0.768SS**  trans-68.4117.7-16000000114.2E325 Q329E325-G327 PolarHBondContact O-N 3.49Å; G327-Q329 VanDerWaalsContact C-N 3.34Å
328H38.4Very low42.2Very low193 Ų193145.3 Ų145.389%0.89478%0.782SS**  trans-95.764.7153.2-8985000109.7G326 Q330G326-H328 PolarHBondContact O-N 3.33Å; H328-Q330 PolarHBondContact O-N 2.95Å; H328-Q330 VanDerWaalsContact O-N 3.09Å
329Q36.7Very low40.8Very low184 Ų184149.5 Ų149.586%0.8679%0.791SS**  trans-73.597.1163.4-76.7-175.413.400108.1G327 A331G327-Q329 VanDerWaalsContact C-N 3.34Å; Q329-A331 VanDerWaalsContact C-N 3.29Å; Q329-A331 PolarHBondContact O-N 3.02Å
330Q36.6Very low39.5Very low194 Ų194146.8 Ų146.891%0.90779%0.79SS**  trans-7381.6-178-167.8170.15.800110.3H328H328-Q330 PolarHBondContact O-N 2.95Å; H328-Q330 VanDerWaalsContact O-N 3.09Å
331A33.9Very low38.9Very low85 Ų85146.9 Ų146.970%0.70280%0.797SS**PPolyproline II helixtrans-62.9141.9178.600000111.4Q329Q329-A331 VanDerWaalsContact C-N 3.29Å; Q329-A331 PolarHBondContact O-N 3.02Å
332P42.2Very low38.5Very low116 Ų116144.3 Ų144.375%0.75379%0.792SS**PPolyproline II helixtrans-71.4141.1-17929.5-34.7000111.6N334P332-N334 PolarHBondContact O-N 3.47Å
333N33.8Very low38.3Very low131 Ų131144.6 Ų144.670%0.70180%0.796SS**PPolyproline II helixtrans-56.2125.3179.2179.425.5000112.2
334N32.7Very low38.2Very low143 Ų143139.6 Ų139.677%0.76579%0.787SS**  trans-136.5129.8158.7-98-59.6000109.1P332 A336P332-N334 PolarHBondContact O-N 3.47Å; N334-A336 PolarHBondContact O-N 3.32Å
335N35.3Very low38.6Very low146 Ų146135.2 Ų135.278%0.78178%0.781SS**  trans-77.9119.1-167.8-37.9-82.1000110.7
336A33.4Very low38.6Very low97 Ų97133.2 Ų133.280%0.80278%0.776SS**  trans-131.195.5170.700000109.4N334 V338N334-A336 PolarHBondContact O-N 3.32Å; A336-V338 PolarHBondContact O-N 3Å
337E38.8Very low38.7Very low197 Ų197135 Ų13592%0.92177%0.77SS**  trans-80.295.1-175.5-176.3176.6103.600111.2
338V37.7Very low39.2Very low136 Ų136138.8 Ų138.882%0.82477%0.774SS**  trans-141.6104.3166.4162.30000111.7A336A336-V338 PolarHBondContact O-N 3Å
339N31.5Very low39.7Very low145 Ų145137.4 Ų137.478%0.77577%0.768SS**  trans39.3107.6131.1-14044.4000122.6
340N37.1Very low40.6Very low125 Ų125134.9 Ų134.967%0.66876%0.76SS**  83.6155128.3-142.537.1000123.1
341D35.3Very low41.5Very low143 Ų143131 Ų13177%0.76574%0.742SS**  trans60.3125.2168.2-62.9-49.7000119.5
342G45.3Very low42.5Very low68 Ų68133.5 Ų133.570%0.70174%0.739SS**  trans-107.2-167167.800000112.3
343Q44.3Very low42.8Very low203 Ų203134.3 Ų134.395%0.94973%0.734SS**  trans70.947172.7-51.6-176.1-10.700117.8
344N43.5Very low43.7Very low119 Ų119135.4 Ų135.464%0.63674%0.735SS**  trans-147.937.6159.1-151.612.7000117.3N347N344-N347 PolarHBondContact OD1-ND2 2.91Å
345A48.2Very low44.7Very low87 Ų87136.3 Ų136.372%0.71973%0.728SS**SBendtrans-81.2-27.8175.900000114.1
346N43.1Very low45.6Very low152 Ų152136.7 Ų136.781%0.81373%0.729SS**SBendtrans-88.5-7.9-165.7-58.8-49.7000115.5
347N43.4Very low46.4Very low109 Ų109140.1 Ų140.158%0.58373%0.731SS**SBendtrans-88.7-23.8-178-74-62.1000113.6N344N344-N347 PolarHBondContact OD1-ND2 2.91Å
348L52.8Low46.7Very low141 Ų141137.8 Ų137.874%0.73872%0.724SS**Hα-helixtrans-73.8-38.6-169.5-161.669.5000112.9L350 E351 E352L348-L350 VanDerWaalsContact C-N 3.28Å; L348-L350 PolarHBondContact O-N 2.87Å; L348-E351 PolarHBondContact O-N 2.95Å; L348-E352 PolarHBondContact O-N 3.19Å
349E48.2Very low47.4Very low165 Ų165139.2 Ų139.277%0.77173%0.727SS**Hα-helixtrans-68.1-26.8-178.3-165.7173114.500112.8
350L54.4Low48Very low131 Ų131135.5 Ų135.569%0.68672%0.723SS**Hα-helixtrans-78.5-37.9179.9-159.271.1000112.2L348 E352 M353 E354L348-L350 VanDerWaalsContact C-N 3.28Å; L348-L350 PolarHBondContact O-N 2.87Å; L350-E352 VanDerWaalsContact C-N 3.33Å; L350-E352 PolarHBondContact O-N 3.38Å; L350-M353 PolarHBondContact O-N 2.97Å; L350-E354 PolarHBondContact O-N 3.45Å
351E56.9Low48.2Very low113 Ų113137.8 Ų137.853%0.52874%0.735SS.*Hα-helixtrans-78.4-14.9-178.6-147.9-168.710600113.4L348 R355L348-E351 PolarHBondContact O-N 2.95Å; E351-R355 PolarHBondContact O-NH1 3.02Å; E351-R355 IonicContact OE1-CZ 2.64Å; E351-R355 IonicContact OE1-NH1 3.37Å; E351-R355 PolarHBondContact OE1-NH1 3.03Å; E351-R355 IonicContact OE1-NH2 2.65Å; E351-R355 PolarHBondContact OE1-NH2 2.96Å; E351-R355 VanDerWaalsContact OE1-NH2 3.07Å
352E55.3Low48.3Very low137 Ų137140.8 Ų140.864%0.6474%0.744SS**Hα-helixtrans-80.5-35.2170.6-169.5168.6-164.700111.6L348 L350L348-E352 PolarHBondContact O-N 3.19Å; L350-E352 VanDerWaalsContact C-N 3.33Å; L350-E352 PolarHBondContact O-N 3.38Å
353M46.6Very low47.9Very low133 Ų133145.3 Ų145.366%0.65575%0.752SS**Hα-helixtrans-69.7-33178.3-171168.6-67.500113.1L350L350-M353 PolarHBondContact O-N 2.97Å
354E53.1Low47.5Very low154 Ų154143.6 Ų143.672%0.7274%0.744SS**Hα-helixtrans-69.4-37178.6-164.9165.3105.300112.2L350 L356 M357L350-E354 PolarHBondContact O-N 3.45Å; E354-L356 VanDerWaalsContact C-N 3.32Å; E354-L356 PolarHBondContact O-N 3.4Å; E354-M357 PolarHBondContact O-N 3Å
355R55.1Low47.1Very low162 Ų162143.5 Ų143.561%0.61175%0.753SS**Hα-helixtrans-68.6-23.1-179-78.7-170.3175.283.40.8115.1E351 M357E351-R355 PolarHBondContact O-NH1 3.02Å; E351-R355 IonicContact OE1-CZ 2.64Å; E351-R355 IonicContact OE1-NH1 3.37Å; E351-R355 PolarHBondContact OE1-NH1 3.03Å; E351-R355 IonicContact OE1-NH2 2.65Å; E351-R355 PolarHBondContact OE1-NH2 2.96Å; E351-R355 VanDerWaalsContact OE1-NH2 3.07Å; R355-M357 VanDerWaalsContact C-N 3.26Å; R355-M357 PolarHBondContact O-N 3.41Å
356L52.8Low46.2Very low154 Ų154142.9 Ų142.981%0.80676%0.755SS**THydrogen-bonded Turntrans-83.12.5-178-72.8171.4000114E354E354-L356 VanDerWaalsContact C-N 3.32Å; E354-L356 PolarHBondContact O-N 3.4Å
357M50.9Low45.8Very low169 Ų169145.3 Ų145.383%0.83376%0.762SS**THydrogen-bonded Turntrans-114-2.1-176.8-146.9171.5-65.200114.5E354 R355E354-M357 PolarHBondContact O-N 3Å; R355-M357 VanDerWaalsContact C-N 3.26Å; R355-M357 PolarHBondContact O-N 3.41Å
358D46Very low45.4Very low148 Ų148147.7 Ų147.779%0.79177%0.774SS**THydrogen-bonded Turntrans-104.8-32.7-170.7-159.847.2000113.4G360D358-G360 PolarHBondContact O-N 3.38Å
359D50.9Low44.5Very low166 Ų166145.1 Ų145.189%0.88877%0.774SS**THydrogen-bonded Turntrans-85.972.4-173.4-168.133.3000112.5
360G43.9Very low43.6Very low67 Ų67141.2 Ų141.269%0.69178%0.777SS**THydrogen-bonded Turntrans-169.65.7-174.400000121.6D358D358-G360 PolarHBondContact O-N 3.38Å
361L42Very low42.8Very low173 Ų173144.3 Ų144.391%0.90679%0.788SS**  trans-145.582.8176.3-83.3179.9000113.9
362E36.6Very low41.6Very low205 Ų205146.7 Ų146.796%0.95881%0.805SS**  trans-129.5154.3155.7-66.9-162.415200110
363D37.3Very low40.6Very low164 Ų164143.7 Ų143.788%0.87780%0.804SS**  trans-121.8178-162.1-171.118000112.2
364E36.8Very low40.1Very low166 Ų166143.4 Ų143.478%0.77681%0.814SS**  trans118.189.8150.2-158.6172.6106.200118.6
365S34.2Very low39.3Very low117 Ų117140.3 Ų140.382%0.81882%0.815SS**  trans73.5150.7138.785.30000121.8
366G30.9Very low38.6Very low75 Ų75138.4 Ų138.477%0.77382%0.821SS**  trans157.6115.2174.500000110.9
367E34.1Very low37.9Very low202 Ų202139.9 Ų139.994%0.94482%0.824SS**  trans-100.6141.1-168.4-60.7164110.700113.4
368D33.8Very low37.6Very low159 Ų159142.3 Ų142.385%0.8582%0.824SS**  149152.2125.5-163.326.9000114.6
369A34.5Very low37.8Very low88 Ų88140.4 Ų140.473%0.72782%0.82SS**  trans20.9119.6163.600000121.6
370G29.7Very low38Very low82 Ų82134.6 Ų134.685%0.84580%0.8SS**  trans-179.8102164.900000114.9
371E37.1Very low39Very low196 Ų196138.8 Ų138.892%0.91681%0.805SS**  trans-65148.6-170.4-59.4166.4115.500117.3
372D32.6Very low39.8Very low163 Ų163138.3 Ų138.387%0.87280%0.8SS**  trans99152.9140.3-147.213.3000122.4
373A34Very low41.1Very low75 Ų75130.8 Ų130.862%0.6277%0.773SS**  trans56.495.6163.500000119.7A375A373-A375 PolarHBondContact O-N 3.03Å
374S35.6Very low42.7Very low126 Ų126125.7 Ų125.788%0.88175%0.75SS**  trans-65.292.4171.2-50.10000114.1V376S374-V376 PolarHBondContact O-N 3.48Å
375A37.3Very low44.3Very low89 Ų89119.8 Ų119.874%0.73673%0.73SS**  trans-95.649.7175.200000113.6A373 Q377A373-A375 PolarHBondContact O-N 3.03Å; A375-Q377 PolarHBondContact O-N 2.99Å
376V40Very low46Very low122 Ų122122.6 Ų122.674%0.73972%0.723SS**  trans-64.898.9172.8178.90000109.2S374 R378S374-V376 PolarHBondContact O-N 3.48Å; V376-R378 VanDerWaalsContact C-N 3.35Å; V376-R378 PolarHBondContact O-N 3.39Å
377Q37.8Very low48.1Very low186 Ų186122.3 Ų122.387%0.86971%0.709SS**  trans-66.494.9173.1-67.5-164.82100109.1A375A375-Q377 PolarHBondContact O-N 2.99Å
378R45.3Very low50.2Low219 Ų219120.8 Ų120.883%0.82670%0.699SS**PPolyproline II helixtrans-55.8132173.8-63.3-179177.7-162.7-2.2108.7V376 G380V376-R378 VanDerWaalsContact C-N 3.35Å; V376-R378 PolarHBondContact O-N 3.39Å; R378-G380 PolarHBondContact O-N 3.14Å; R378-G380 VanDerWaalsContact O-N 3.08Å
379P49.8Very low52.3Low108 Ų108117.3 Ų117.370%0.70168%0.68SS**PPolyproline II helixtrans-55.6122.8166.624.6-32.6000107.6A383P379-A383 HydrophobicContact CB-CB 4.37Å
380G55.1Low53.9Low45 Ų45116.1 Ų116.146%0.46466%0.664SS.*PPolyproline II helixtrans-58.4153.7-171.800000111.5R378 M382 A383 S384R378-G380 PolarHBondContact O-N 3.14Å; R378-G380 VanDerWaalsContact O-N 3.08Å; G380-M382 PolarHBondContact O-N 3.17Å; G380-A383 WeakPolarHBondContact O-CA 3.47Å; G380-A383 WeakPolarHBondContact O-CB 3.41Å; G380-A383 PolarHBondContact O-N 3.15Å; G380-S384 PolarHBondContact O-N 3.36Å
381L63.7Low56Low154 Ų154116.7 Ų116.781%0.80665%0.651SS**Hα-helixtrans-55.9-22.8-177.7-67.1170.3000113.6S384 A385L381-S384 PolarHBondContact O-OG 2.87Å; L381-S384 VanDerWaalsContact O-OG 3.13Å; L381-A385 VanDerWaalsContact O-CB 3.27Å; L381-A385 WeakPolarHBondContact O-CB 3.39Å; L381-A385 PolarHBondContact O-N 2.91Å
382M60Low57.8Low163 Ų163113.4 Ų113.480%0.80363%0.634SS**Hα-helixtrans-71.3-33.7171.9-64.7-60.318000113.4G380 W386G380-M382 PolarHBondContact O-N 3.17Å; M382-W386 VanDerWaalsContact O-CB 3.23Å; M382-W386 WeakPolarHBondContact O-CB 3.47Å; M382-W386 PolarHBondContact O-N 3.24Å
383A63.5Low59.5Low47 Ų47111.8 Ų111.839%0.38862%0.62SS.*Hα-helixtrans-70.3-43.1176.200000111.3P379 G380 W386 S387P379-A383 HydrophobicContact CB-CB 4.37Å; G380-A383 WeakPolarHBondContact O-CA 3.47Å; G380-A383 WeakPolarHBondContact O-CB 3.41Å; G380-A383 PolarHBondContact O-N 3.15Å; A383-W386 WeakPolarHBondContact O-CB 3.45Å; A383-W386 PolarHBondContact O-N 3.42Å; A383-S387 PolarHBondContact O-N 3.09Å; A383-S387 PolarHBondContact O-OG 3.49Å
384S70.3Confident60.9Low57 Ų57112.3 Ų112.340%0.39962%0.615SS.*Hα-helixtrans-67.6-36.1174.454.60000112.6G380 L381 F388G380-S384 PolarHBondContact O-N 3.36Å; L381-S384 PolarHBondContact O-OG 2.87Å; L381-S384 VanDerWaalsContact O-OG 3.13Å; S384-F388 PolarHBondContact O-N 3.03Å
385A70.3Confident62.2Low42 Ų42111 Ų11135%0.34761%0.606SS.*Hα-helixtrans-65-39.4170.600000112.3L381 F388 I389L381-A385 VanDerWaalsContact O-CB 3.27Å; L381-A385 WeakPolarHBondContact O-CB 3.39Å; L381-A385 PolarHBondContact O-N 2.91Å; A385-F388 PolarHBondContact O-N 3.34Å; A385-I389 VanDerWaalsContact O-CG1 3.29Å; A385-I389 WeakPolarHBondContact O-CG1 3.42Å; A385-I389 PolarHBondContact O-N 2.95Å
386W71.2Confident63.2Low176 Ų176111.8 Ų111.867%0.66760%0.597SS**Hα-helixtrans-62.2-49.1175.6-174.7-107.3000111.4M382 A383 F388 I389 T390M382-W386 VanDerWaalsContact O-CB 3.23Å; M382-W386 WeakPolarHBondContact O-CB 3.47Å; M382-W386 PolarHBondContact O-N 3.24Å; A383-W386 WeakPolarHBondContact O-CB 3.45Å; A383-W386 PolarHBondContact O-N 3.42Å; W386-F388 VanDerWaalsContact C-N 3.34Å; W386-F388 PolarHBondContact O-N 3.46Å; W386-I389 PolarHBondContact O-N 2.94Å; W386-T390 PolarHBondContact O-N 3.29Å; W386-T390 PolarHBondContact O-OG1 3.03Å
387S75.3Confident64Low70 Ų70112 Ų11249%0.4959%0.592SS.*Hα-helixtrans-56.3-45.8173.1-59.60000112.1A383 I389 T390 T391A383-S387 PolarHBondContact O-N 3.09Å; A383-S387 PolarHBondContact O-OG 3.49Å; S387-I389 VanDerWaalsContact C-N 3.34Å; S387-I389 PolarHBondContact O-N 3.41Å; S387-T390 PolarHBondContact O-N 3.01Å; S387-T391 WeakPolarHBondContact O-CB 3.47Å; S387-T391 PolarHBondContact O-N 3.22Å; S387-T391 PolarHBondContact O-OG1 2.87Å; S387-T391 VanDerWaalsContact O-OG1 3.11Å
388F78.2Confident64.3Low169 Ų169108.7 Ų108.774%0.74159%0.587SS**Hα-helixtrans-59.2-42.8176.9-113-81.3000112.8S384 A385 W386 F392S384-F388 PolarHBondContact O-N 3.03Å; A385-F388 PolarHBondContact O-N 3.34Å; W386-F388 VanDerWaalsContact C-N 3.34Å; W386-F388 PolarHBondContact O-N 3.46Å; F388-F392 WeakPolarHBondContact O-CB 3.07Å; F388-F392 PolarHBondContact O-N 3.15Å
389I76.9Confident64.8Low86 Ų86107.1 Ų107.144%0.44159%0.59SS.*Hα-helixtrans-65.4-46.7176.8-71.8165.6000110.4A385 W386 S387 F392 F393A385-I389 VanDerWaalsContact O-CG1 3.29Å; A385-I389 WeakPolarHBondContact O-CG1 3.42Å; A385-I389 PolarHBondContact O-N 2.95Å; W386-I389 PolarHBondContact O-N 2.94Å; S387-I389 VanDerWaalsContact C-N 3.34Å; S387-I389 PolarHBondContact O-N 3.41Å; I389-F392 PolarHBondContact O-N 2.84Å; I389-F393 HydrophobicContact CG2-CD2 3.9Å; I389-F393 HydrophobicContact CG2-CE2 4.01Å; I389-F393 VanDerWaalsContact O-CD2 3.3Å; I389-F393 WeakPolarHBondContact O-CD2 3.46Å; I389-F393 PolarHBondContact O-N 3.31Å
390T68.9Low65Low64 Ų64104.5 Ų104.539%0.39358%0.582SS.*Hα-helixtrans-61.4-49.8179.6-52.20000111.4W386 S387 F392 F393 T394W386-T390 PolarHBondContact O-N 3.29Å; W386-T390 PolarHBondContact O-OG1 3.03Å; S387-T390 PolarHBondContact O-N 3.01Å; T390-F392 VanDerWaalsContact C-N 3.31Å; T390-F392 PolarHBondContact O-N 3.13Å; T390-F393 PolarHBondContact O-N 3.33Å; T390-T394 PolarHBondContact O-N 3.17Å; T390-T394 PolarHBondContact O-OG1 2.91Å
391T73.1Confident64.6Low94 Ų94108.3 Ų108.358%0.57760%0.599SS**Hα-helixtrans-64.3-33.8178.1-55.80000112.6S387 T394 S395S387-T391 WeakPolarHBondContact O-CB 3.47Å; S387-T391 PolarHBondContact O-N 3.22Å; S387-T391 PolarHBondContact O-OG1 2.87Å; S387-T391 VanDerWaalsContact O-OG1 3.11Å; T391-T394 WeakPolarHBondContact CA-OG1 3.48Å; T391-T394 PolarHBondContact O-OG1 3.32Å; T391-T394 VanDerWaalsContact O-OG1 3.12Å; T391-S395 VanDerWaalsContact O-CB 3.25Å; T391-S395 WeakPolarHBondContact O-CB 3.38Å; T391-S395 PolarHBondContact O-N 3.46Å
392F74.5Confident64.1Low126 Ų126106.4 Ų106.455%0.55360%0.595SS**Hα-helixtrans-65-40.7174.1-179-97000112F388 I389 T390 L396F388-F392 WeakPolarHBondContact O-CB 3.07Å; F388-F392 PolarHBondContact O-N 3.15Å; I389-F392 PolarHBondContact O-N 2.84Å; T390-F392 VanDerWaalsContact C-N 3.31Å; T390-F392 PolarHBondContact O-N 3.13Å; F392-L396 HydrophobicContact CD1-CD1 4.02Å; F392-L396 HydrophobicContact CE1-CD1 3.62Å; F392-L396 HydrophobicContact CZ-CD1 4.16Å; F392-L396 WeakPolarHBondContact O-CG 3.49Å; F392-L396 PolarHBondContact O-N 3.46Å
393F68.3Low63.1Low130 Ų130107.9 Ų107.957%0.5760%0.6SS**Hα-helixtrans-77-32.6178.1-79.7-68000113.9I389 T390 S395 L396I389-F393 HydrophobicContact CG2-CD2 3.9Å; I389-F393 HydrophobicContact CG2-CE2 4.01Å; I389-F393 VanDerWaalsContact O-CD2 3.3Å; I389-F393 WeakPolarHBondContact O-CD2 3.46Å; I389-F393 PolarHBondContact O-N 3.31Å; T390-F393 PolarHBondContact O-N 3.33Å; F393-S395 VanDerWaalsContact C-N 3.32Å; F393-L396 HydrophobicContact CD1-CD1 3.99Å; F393-L396 HydrophobicContact CE1-CD1 4.22Å; F393-L396 PolarHBondContact O-N 3.21Å
394T63.5Low62.3Low86 Ų86111.7 Ų111.753%0.52862%0.619SS.*Hα-helixtrans-66-37169.857.50000111.3T390 T391 L396 I397T390-T394 PolarHBondContact O-N 3.17Å; T390-T394 PolarHBondContact O-OG1 2.91Å; T391-T394 WeakPolarHBondContact CA-OG1 3.48Å; T391-T394 PolarHBondContact O-OG1 3.32Å; T391-T394 VanDerWaalsContact O-OG1 3.12Å; T394-L396 PolarHBondContact O-N 3.32Å; T394-L396 VanDerWaalsContact O-N 3.14Å; T394-I397 PolarHBondContact O-N 3.36Å
395S62.4Low61Low97 Ų97113.2 Ų113.268%0.67864%0.635SS**THydrogen-bonded Turntrans-66.1-8.3173.8-175.20000114.9T391 F393T391-S395 VanDerWaalsContact O-CB 3.25Å; T391-S395 WeakPolarHBondContact O-CB 3.38Å; T391-S395 PolarHBondContact O-N 3.46Å; F393-S395 VanDerWaalsContact C-N 3.32Å
396L58.6Low59.5Low106 Ų106122.4 Ų122.456%0.55568%0.678SS**THydrogen-bonded Turntrans-97.3-3.2176.1-74.9170.4000113.4F392 F393 T394F392-L396 HydrophobicContact CD1-CD1 4.02Å; F392-L396 HydrophobicContact CE1-CD1 3.62Å; F392-L396 HydrophobicContact CZ-CD1 4.16Å; F392-L396 WeakPolarHBondContact O-CG 3.49Å; F392-L396 PolarHBondContact O-N 3.46Å; F393-L396 HydrophobicContact CD1-CD1 3.99Å; F393-L396 HydrophobicContact CE1-CD1 4.22Å; F393-L396 PolarHBondContact O-N 3.21Å; T394-L396 PolarHBondContact O-N 3.32Å; T394-L396 VanDerWaalsContact O-N 3.14Å
397I57.4Low58.9Low126 Ų126119.8 Ų119.865%0.64668%0.679SS**SBendtrans-90.2118.2171-59.5171.6000107.3T394 E399T394-I397 PolarHBondContact O-N 3.36Å; I397-E399 PolarHBondContact O-N 2.74Å
398P45Very low58Low117 Ų117122.4 Ų122.476%0.7669%0.688SS**PPolyproline II helixtrans-68.3127175.8-17.731.7000110.4G400P398-G400 PolarHBondContact O-N 2.95Å
399E55.8Low56.9Low187 Ų187119.8 Ų119.887%0.87469%0.686SS**PPolyproline II helixtrans-54.6128.6168.6-71.9-65.4170.100110.3I397I397-E399 PolarHBondContact O-N 2.74Å
400G53.5Low55.8Low53 Ų53121.8 Ų121.855%0.54670%0.7SS.*PPolyproline II helixtrans-68.1152178.500000111.5P398P398-G400 PolarHBondContact O-N 2.95Å
401P45.7Very low54.9Low125 Ų125125.4 Ų125.481%0.81272%0.719SS**PPolyproline II helixtrans-58.4137.6176.9-22.333.2000111.2Q403P401-Q403 PolarHBondContact O-N 3.32Å
402P53.1Low53.7Low113 Ų113127.5 Ų127.573%0.73473%0.729SS**PPolyproline II helixtrans-62.8129.517825.8-33.9000110.4V404P402-V404 PolarHBondContact O-N 3.36Å; P402-V404 VanDerWaalsContact O-N 3.07Å
403Q40Very low52.2Low194 Ų194127.6 Ų127.691%0.90774%0.741SS**  trans-63.5107.5172.6-70.3-79.924.300109.1P401 A405P401-Q403 PolarHBondContact O-N 3.32Å; Q403-A405 PolarHBondContact O-N 3.03Å
404V46.3Very low51Low128 Ų128127.4 Ų127.478%0.77675%0.754SS**  trans-78.5117.6176-177.20000108.5P402P402-V404 PolarHBondContact O-N 3.36Å; P402-V404 VanDerWaalsContact O-N 3.07Å
405A42.6Very low50Low89 Ų89130.8 Ų130.874%0.73677%0.773SS**  trans-66.6142.8177.800000112.3Q403Q403-A405 PolarHBondContact O-N 3.03Å
406N39.4Very low48.8Very low235 Ų235133.9 Ų133.9100%1.25778%0.782SS**  trans-150.10160-106.2-111.2000108

Retrieved 406 of 406 residues in 540.6 ms (Link to these results)