A0A060WZP3_ONCMY Loading...

E2 ubiquitin-conjugating enzyme

AlphaFold DB (A0A674BTS4), UniProt , Accession A0A060WZP3, Species ONCMY (Oncorhynchus mykiss, Rainbow trout), Gene LOC100136237, Length 148 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
1M84.6Confident95.7Very high197 Ų19779.3 Ų79.397%0.9738%0.376SS*.  0-48.50-66-177-146.300111.6L3 K4 R5M1-L3 PolarHBondContact O-N 2.7Å; M1-K4 PolarHBondContact O-N 3.45Å; M1-R5 PolarHBondContact O-N 2.93Å; M1-R5 VanDerWaalsContact O-N 3.11Å
2A94.9Very high95.6Very high8 Ų877.1 Ų77.17%0.06637%0.368CS..Hα-helixtrans-51.2-54.9175.800000113.9K4 R5 I6 F31 T58 Y60A2-K4 VanDerWaalsContact C-N 3.3Å; A2-K4 PolarHBondContact O-N 3.16Å; A2-R5 WeakPolarHBondContact O-CA 3.46Å; A2-R5 WeakPolarHBondContact O-CB 3.41Å; A2-R5 PolarHBondContact O-N 3.27Å; A2-I6 WeakPolarHBondContact O-CG1 3.32Å; A2-I6 PolarHBondContact O-N 3.3Å; A2-F31 HydrophobicContact CB-CE1 3.97Å; A2-F31 HydrophobicContact CB-CZ 4.14Å; A2-T58 WeakPolarHBondContact CB-O 3.24Å; A2-Y60 WeakPolarHBondContact CA-O 3.21Å; A2-Y60 WeakPolarHBondContact CB-O 3.39Å
3L96.6Very high95.4Very high78 Ų7872.2 Ų72.241%0.40835%0.345SS..Hα-helixtrans-57.5-40.2-179.3-17361.5000113.4M1 R5 I6 H7 M30 F31M1-L3 PolarHBondContact O-N 2.7Å; L3-R5 VanDerWaalsContact C-N 3.33Å; L3-R5 PolarHBondContact O-N 3.23Å; L3-I6 PolarHBondContact O-N 2.88Å; L3-H7 VanDerWaalsContact CD1-CE1 3.45Å; L3-H7 WeakPolarHBondContact CD1-CE1 3.49Å; L3-H7 PolarHBondContact O-N 2.9Å; L3-H7 PolarHBondContact O-ND1 3.1Å; L3-M30 HydrophobicContact CD1-CB 3.49Å; L3-M30 VanDerWaalsContact CD1-CB 3.49Å; L3-M30 HydrophobicContact CD1-CG 3.96Å; L3-F31 HydrophobicContact CB-CE2 4.37Å; L3-F31 HydrophobicContact CB-CZ 4.32Å; L3-F31 HydrophobicContact CD1-CE2 3.96Å
4K97.1Very high95.1Very high176 Ų17672.8 Ų72.877%0.76537%0.368SS*.Hα-helixtrans-64.3-39.1176.4-173.9178.6-178.8178.30111.4M1 A2 K8M1-K4 PolarHBondContact O-N 3.45Å; A2-K4 VanDerWaalsContact C-N 3.3Å; A2-K4 PolarHBondContact O-N 3.16Å; K4-K8 PolarHBondContact O-N 3.38Å; K4-K8 VanDerWaalsContact O-N 3.11Å
5R97.6Very high94.9Very high56 Ų5680.5 Ų80.521%0.21139%0.391CS..Hα-helixtrans-65.7-45.4175.1172.161.1-176.3-93.1-13.1111.3M1 A2 L3 K8 E9 Y60 P61 P95 L97M1-R5 PolarHBondContact O-N 2.93Å; M1-R5 VanDerWaalsContact O-N 3.11Å; A2-R5 WeakPolarHBondContact O-CA 3.46Å; A2-R5 WeakPolarHBondContact O-CB 3.41Å; A2-R5 PolarHBondContact O-N 3.27Å; L3-R5 VanDerWaalsContact C-N 3.33Å; L3-R5 PolarHBondContact O-N 3.23Å; R5-K8 WeakPolarHBondContact O-CB 3.43Å; R5-K8 PolarHBondContact O-N 2.97Å; R5-E9 IonicContact CZ-OE1 3.54Å; R5-E9 IonicContact NE-OE1 3.89Å; R5-E9 PolarHBondContact NE-OE1 3.25Å; R5-E9 IonicContact NH2-OE1 2.75Å; R5-E9 PolarHBondContact NH2-OE1 3.01Å; R5-E9 PolarHBondContact O-N 3.25Å; R5-Y60 HydrophobicContact CB-CD1 4.5Å; R5-Y60 HydrophobicContact CG-CD1 3.89Å; R5-Y60 HydrophobicContact CG-CE1 3.65Å; R5-P61 HydrophobicContact CG-CB 4.34Å; R5-P61 HydrophobicContact CG-CG 4.22Å; R5-P95 PolarHBondContact NH1-O 2.84Å; R5-P95 PolarHBondContact NH2-O 2.13Å; R5-P95 VanDerWaalsContact NH2-O 3.15Å; R5-L97 PolarHBondContact NH2-O 2.84Å
6I97.9Very high94.5Very high0 Ų083.1 Ų83.10%041%0.407CS..Hα-helixtrans-61.1-46.8178.3-65.9168.2000111A2 L3 K8 E9 L10 M30 F31 W33 F56 Y60A2-I6 WeakPolarHBondContact O-CG1 3.32Å; A2-I6 PolarHBondContact O-N 3.3Å; L3-I6 PolarHBondContact O-N 2.88Å; I6-K8 VanDerWaalsContact C-N 3.3Å; I6-K8 PolarHBondContact O-N 2.86Å; I6-E9 PolarHBondContact O-N 3.15Å; I6-E9 VanDerWaalsContact O-N 3.17Å; I6-L10 PolarHBondContact O-N 3.5Å; I6-M30 HydrophobicContact CG2-CE 3.95Å; I6-M30 WeakPolarHBondContact CG2-O 3.46Å; I6-F31 HydrophobicContact CD1-CD1 3.75Å; I6-F31 HydrophobicContact CD1-CE1 3.69Å; I6-F31 HydrophobicContact CD1-CG 4.21Å; I6-F31 HydrophobicContact CD1-CZ 4.11Å; I6-W33 HydrophobicContact CG2-CH2 4.44Å; I6-W33 HydrophobicContact CG2-CZ2 3.47Å; I6-W33 VanDerWaalsContact CG2-CZ2 3.47Å; I6-F56 HydrophobicContact CD1-CB 3.76Å; I6-F56 HydrophobicContact CD1-CD1 4.03Å; I6-F56 HydrophobicContact CD1-CD2 4.13Å; I6-F56 HydrophobicContact CD1-CG 3.72Å; I6-F56 HydrophobicContact CG1-CD1 3.91Å; I6-F56 HydrophobicContact CG1-CE1 4.12Å; I6-F56 HydrophobicContact CG1-CG 4.09Å; I6-F56 HydrophobicContact CG2-CE2 4.38Å; I6-F56 HydrophobicContact CG2-CZ 4.38Å; I6-Y60 HydrophobicContact CD1-CD1 4.45Å; I6-Y60 HydrophobicContact CG1-CD1 3.8Å; I6-Y60 HydrophobicContact CG1-CE1 4.18Å
7H97.1Very high93.9Very high77 Ų7783.2 Ų83.236%0.35642%0.416SS..Hα-helixtrans-59.7-40.6175.5-81.286.8000112.6L3 E9 L10 N11L3-H7 VanDerWaalsContact CD1-CE1 3.45Å; L3-H7 WeakPolarHBondContact CD1-CE1 3.49Å; L3-H7 PolarHBondContact O-N 2.9Å; L3-H7 PolarHBondContact O-ND1 3.1Å; H7-E9 VanDerWaalsContact C-N 3.34Å; H7-L10 PolarHBondContact O-N 2.84Å; H7-N11 VanDerWaalsContact O-CG 3.29Å; H7-N11 PolarHBondContact O-N 3.39Å; H7-N11 PolarHBondContact O-ND2 3.3Å
8K97Very high93.4Very high131 Ų13179.6 Ų79.657%0.5740%0.399SS*.Hα-helixtrans-60.4-46.3175.9-176.7-178.6175.3-176.80110.9K4 R5 I6 L10 N11 D12K4-K8 PolarHBondContact O-N 3.38Å; K4-K8 VanDerWaalsContact O-N 3.11Å; R5-K8 WeakPolarHBondContact O-CB 3.43Å; R5-K8 PolarHBondContact O-N 2.97Å; I6-K8 VanDerWaalsContact C-N 3.3Å; I6-K8 PolarHBondContact O-N 2.86Å; K8-L10 VanDerWaalsContact C-N 3.34Å; K8-L10 PolarHBondContact O-N 3.22Å; K8-N11 PolarHBondContact O-N 2.92Å; K8-D12 WeakPolarHBondContact O-CB 3.28Å; K8-D12 PolarHBondContact O-N 3.03Å
9E97.3Very high92.8Very high5 Ų581.1 Ų81.12%0.02343%0.426CS..Hα-helixtrans-65.9-35.3178.1-71.2-165-147.800113.3R5 I6 H7 D12 L13 Y60 T98 I99R5-E9 IonicContact CZ-OE1 3.54Å; R5-E9 IonicContact NE-OE1 3.89Å; R5-E9 PolarHBondContact NE-OE1 3.25Å; R5-E9 IonicContact NH2-OE1 2.75Å; R5-E9 PolarHBondContact NH2-OE1 3.01Å; R5-E9 PolarHBondContact O-N 3.25Å; I6-E9 PolarHBondContact O-N 3.15Å; I6-E9 VanDerWaalsContact O-N 3.17Å; H7-E9 VanDerWaalsContact C-N 3.34Å; E9-D12 PolarHBondContact O-N 2.92Å; E9-L13 WeakPolarHBondContact O-CB 3.43Å; E9-L13 WeakPolarHBondContact O-CG 3.35Å; E9-L13 PolarHBondContact O-N 3.36Å; E9-Y60 PolarHBondContact OE1-OH 3.31Å; E9-Y60 PolarHBondContact OE2-OH 3.15Å; E9-T98 HydrophobicContact CG-CG2 4.33Å; E9-T98 WeakPolarHBondContact OE2-CA 3.4Å; E9-T98 VanDerWaalsContact OE2-CB 3.28Å; E9-T98 WeakPolarHBondContact OE2-CB 3.41Å; E9-I99 PolarHBondContact OE2-N 3.11Å
10L96.8Very high92.4Very high40 Ų4080.5 Ų80.521%0.20942%0.42CS..Hα-helixtrans-61.6-45.7173.3-176.860.5000111.1I6 H7 K8 D12 L13 A14 P25 M30 W33I6-L10 PolarHBondContact O-N 3.5Å; H7-L10 PolarHBondContact O-N 2.84Å; K8-L10 VanDerWaalsContact C-N 3.34Å; K8-L10 PolarHBondContact O-N 3.22Å; L10-D12 VanDerWaalsContact C-N 3.35Å; L10-L13 PolarHBondContact O-N 2.97Å; L10-A14 WeakPolarHBondContact O-CB 3.4Å; L10-A14 PolarHBondContact O-N 3.31Å; L10-P25 HydrophobicContact CD2-CG 4.25Å; L10-M30 HydrophobicContact CD2-CE 3.87Å; L10-W33 HydrophobicContact CB-CH2 3.78Å; L10-W33 HydrophobicContact CB-CZ2 3.81Å; L10-W33 HydrophobicContact CD1-CH2 4.02Å; L10-W33 HydrophobicContact CD1-CZ2 4.13Å; L10-W33 HydrophobicContact CG-CH2 4.48Å; L10-W33 HydrophobicContact CG-CZ2 4.41Å
11N96.1Very high92.4Very high104 Ų10476.9 Ų76.956%0.55640%0.402SS*.Hα-helixtrans-64.7-40.1177-68.6-19.2000112H7 K8 A14 R15H7-N11 VanDerWaalsContact O-CG 3.29Å; H7-N11 PolarHBondContact O-N 3.39Å; H7-N11 PolarHBondContact O-ND2 3.3Å; K8-N11 PolarHBondContact O-N 2.92Å; N11-A14 PolarHBondContact O-N 3.43Å; N11-R15 WeakPolarHBondContact O-CB 3.41Å; N11-R15 PolarHBondContact O-N 2.9Å
12D94.2Very high92.9Very high53 Ų5370.6 Ų70.628%0.28338%0.378SS..Hα-helixtrans-65.9-41.6177.6-72.5-31000111K8 E9 L10 R15 D16K8-D12 WeakPolarHBondContact O-CB 3.28Å; K8-D12 PolarHBondContact O-N 3.03Å; E9-D12 PolarHBondContact O-N 2.92Å; L10-D12 VanDerWaalsContact C-N 3.35Å; D12-R15 PolarHBondContact O-N 2.72Å; D12-R15 IonicContact OD1-CZ 2.7Å; D12-R15 IonicContact OD1-NH1 3.43Å; D12-R15 IonicContact OD1-NH2 3.6Å; D12-R15 PolarHBondContact OD1-NH2 2.75Å; D12-D16 PolarHBondContact O-N 3.31Å
13L93.3Very high93Very high13 Ų1371.4 Ų71.47%0.06838%0.384CS..Hα-helixtrans-62.9-39.7173.1-84.8165.1000112.8E9 L10 R15 D16 P17 P18 W33 I99E9-L13 WeakPolarHBondContact O-CB 3.43Å; E9-L13 WeakPolarHBondContact O-CG 3.35Å; E9-L13 PolarHBondContact O-N 3.36Å; L10-L13 PolarHBondContact O-N 2.97Å; L13-R15 VanDerWaalsContact C-N 3.32Å; L13-D16 CarbonylContact O-C 3.53Å; L13-P17 VanDerWaalsContact O-CA 3.26Å; L13-P17 WeakPolarHBondContact O-CA 3.33Å; L13-P18 HydrophobicContact CD2-CG 4.2Å; L13-W33 HydrophobicContact CD1-CH2 4.12Å; L13-W33 HydrophobicContact CD1-CZ3 3.55Å; L13-I99 HydrophobicContact CD1-CB 4.37Å; L13-I99 HydrophobicContact CD1-CG2 4.19Å
14A91.2Very high93Very high81 Ų8168.6 Ų68.667%0.66937%0.374SS*.Hα-helixtrans-68.9-32.5177.500000112.3L10 N11L10-A14 WeakPolarHBondContact O-CB 3.4Å; L10-A14 PolarHBondContact O-N 3.31Å; N11-A14 PolarHBondContact O-N 3.43Å
15R91.4Very high93Very high189 Ų18962.4 Ų62.471%0.71335%0.352SS*.Hα-helixtrans-77.6-38.5178.5-174.3-178.363.8-149.6-15.2112.6N11 D12 L13N11-R15 WeakPolarHBondContact O-CB 3.41Å; N11-R15 PolarHBondContact O-N 2.9Å; D12-R15 PolarHBondContact O-N 2.72Å; D12-R15 IonicContact OD1-CZ 2.7Å; D12-R15 IonicContact OD1-NH1 3.43Å; D12-R15 IonicContact OD1-NH2 3.6Å; D12-R15 PolarHBondContact OD1-NH2 2.75Å; L13-R15 VanDerWaalsContact C-N 3.32Å
16D88.4Confident92.9Very high121 Ų12162.7 Ų62.765%0.64736%0.36SS*.SBendtrans-135.675.8-176.5-171.127000110.2D12 L13D12-D16 PolarHBondContact O-N 3.31Å; L13-D16 CarbonylContact O-C 3.53Å
17P84.8Confident92.7Very high85 Ų8565.7 Ų65.755%0.55239%0.391SS*.  trans-72.5135.8-176.228.4-33.8000111L13 A19L13-P17 VanDerWaalsContact O-CA 3.26Å; L13-P17 WeakPolarHBondContact O-CA 3.33Å; P17-A19 PolarHBondContact O-N 2.82Å
18P85.2Confident92.6Very high18 Ų1870.1 Ų70.112%0.11742%0.417CS..  trans-64.7134.1173.410.4-7.7000110.7L13 Q20 C21 L104L13-P18 HydrophobicContact CD2-CG 4.2Å; P18-Q20 PolarHBondContact O-N 3.01Å; P18-C21 HydrophobicContact CB-CB 4.23Å; P18-C21 WeakPolarHBondContact CD-O 3.47Å; P18-C21 HydrophobicContact CG-CB 4.17Å; P18-C21 VanDerWaalsContact CG-O 3.27Å; P18-C21 WeakPolarHBondContact CG-O 3.33Å; P18-C21 PolarHBondContact O-N 3.37Å; P18-C21 VanDerWaalsContact O-N 3.13Å; P18-L104 HydrophobicContact CB-CD2 3.94Å; P18-L104 HydrophobicContact CB-CG 4.37Å
19A81Confident92.5Very high109 Ų10967.7 Ų67.790%0.90141%0.41SS*.THydrogen-bonded Turntrans-56.1-25.4-16900000115.5P17P17-A19 PolarHBondContact O-N 2.82Å
20Q85.8Confident92.5Very high68 Ų6869 Ų6932%0.31842%0.417SS..THydrogen-bonded Turntrans-120.1-1.2-177.9-68.5179-4.300113.6P18 M38P18-Q20 PolarHBondContact O-N 3.01Å; Q20-M38 HydrophobicContact CB-CB 4.3Å; Q20-M38 PolarHBondContact O-N 3.07Å
21C92.9Very high92.5Very high5 Ų569.9 Ų69.93%0.03442%0.419CS..EExtended strand (participates in β ladder)trans-134.3131.8-168.6-26.30000107.7P18 T36 I37 L103 C107P18-C21 HydrophobicContact CB-CB 4.23Å; P18-C21 WeakPolarHBondContact CD-O 3.47Å; P18-C21 HydrophobicContact CG-CB 4.17Å; P18-C21 VanDerWaalsContact CG-O 3.27Å; P18-C21 WeakPolarHBondContact CG-O 3.33Å; P18-C21 PolarHBondContact O-N 3.37Å; P18-C21 VanDerWaalsContact O-N 3.13Å; C21-T36 CarbonylContact C-O 3.52Å; C21-T36 VanDerWaalsContact CA-O 3.31Å; C21-T36 WeakPolarHBondContact CA-O 3.15Å; C21-I37 HydrophobicContact CB-CG1 4.17Å; C21-L103 HydrophobicContact CB-CB 4.02Å; C21-L103 HydrophobicContact CB-CD1 4.49Å; C21-C107 WeakPolarHBondContact CB-SG 3.49Å; C21-C107 WeakPolarHBondContact SG-CB 3.34Å; C21-C107 CovalentContact SG-SG 2.13Å; C21-C107 PolarHBondContact SG-SG 3.4Å
22S94.1Very high92.6Very high66 Ų6667.3 Ų67.346%0.46240%0.404SS..EExtended strand (participates in β ladder)trans-130.2153176.4630000110.2A35 T36S22-A35 CarbonylContact O-C 3.56Å; S22-A35 WeakPolarHBondContact O-CA 3.44Å; S22-A35 VanDerWaalsContact O-CB 3.3Å; S22-A35 WeakPolarHBondContact O-CB 3.3Å; S22-T36 PolarHBondContact N-O 3.21Å; S22-T36 PolarHBondContact O-N 3.38Å
23A96.7Very high92.8Very high25 Ų2564.8 Ų64.821%0.20739%0.39CS..EExtended strand (participates in β ladder)trans-156.7151.917700000112.5W33 Q34 A35 I54 I99 L103A23-W33 HydrophobicContact CB-CE3 4.05Å; A23-W33 HydrophobicContact CB-CZ3 4.45Å; A23-Q34 CarbonylContact C-O 3.2Å; A23-Q34 VanDerWaalsContact CA-O 3.25Å; A23-Q34 WeakPolarHBondContact CA-O 3.37Å; A23-A35 HydrophobicContact CB-CB 3.72Å; A23-I54 HydrophobicContact CB-CD1 4.39Å; A23-I99 HydrophobicContact CB-CG2 4.4Å; A23-L103 HydrophobicContact CB-CD1 3.84Å
24G96.8Very high93.1Very high19 Ų1968.8 Ų68.820%0.19641%0.409CS..EExtended strand (participates in β ladder)trans-170.5169.3175.300000113W33 Q34G24-W33 CarbonylContact O-C 3.58Å; G24-W33 WeakPolarHBondContact O-CA 3.17Å; G24-W33 WeakPolarHBondContact O-CB 3.24Å; G24-Q34 PolarHBondContact N-O 3.47Å; G24-Q34 PolarHBondContact O-N 3.12Å
25P97.6Very high93.4Very high46 Ų4665 Ų6530%0.29938%0.377SS..EExtended strand (participates in β ladder)trans-64.9147.2179.728.3-35000112.4L10 M30 H32L10-P25 HydrophobicContact CD2-CG 4.25Å; P25-M30 HydrophobicContact CB-SD 3.92Å; P25-M30 HydrophobicContact CG-SD 3.91Å; P25-H32 WeakPolarHBondContact CA-O 3.4Å
26V95.9Very high93.7Very high61 Ų6157.2 Ų57.237%0.3735%0.351SS..EExtended strand (participates in β ladder)trans-93.5107.7173.5-178.10000108.4D28 H32 Q34V26-D28 PolarHBondContact O-N 2.93Å; V26-H32 PolarHBondContact N-O 3.1Å; V26-Q34 HydrophobicContact CG2-CB 3.7Å
27G94.3Very high94.1Very high64 Ų6451.5 Ų51.566%0.6632%0.32SS*.THydrogen-bonded Turntrans63.3-133.2-174.600000111.4
28D93.3Very high94.7Very high169 Ų16951.4 Ų51.490%0.90431%0.313SS*.THydrogen-bonded Turntrans-93.2-5.9-176.2-59.9-39.5000113.6V26 M30V26-D28 PolarHBondContact O-N 2.93Å; D28-M30 PolarHBondContact O-N 3.01Å
29D95.5Very high95.2Very high80 Ų8050.8 Ų50.843%0.42831%0.31SS..EExtended strand (participates in β ladder)trans-83.499.3-180-174.44.7000111.5F31 H32D29-F31 PolarHBondContact O-N 2.94Å; D29-F31 VanDerWaalsContact O-N 3.17Å; D29-F31 WeakPolarHBondContact OD1-CB 3.35Å; D29-F31 PolarHBondContact OD1-N 3.14Å; D29-H32 HydrophobicContact CB-CB 4.19Å; D29-H32 PolarHBondContact O-N 2.84Å; D29-H32 VanDerWaalsContact O-N 3.12Å; D29-H32 WeakPolarHBondContact OD2-CB 3.46Å
30M96.9Very high96Very high32 Ų3245.8 Ų45.816%0.15827%0.268CS..EExtended strand (participates in β ladder)trans-64.6-16.2176.7-70-61.3-57.500114.3L3 I6 L10 P25 D28 W33L3-M30 HydrophobicContact CD1-CB 3.49Å; L3-M30 VanDerWaalsContact CD1-CB 3.49Å; L3-M30 HydrophobicContact CD1-CG 3.96Å; I6-M30 HydrophobicContact CG2-CE 3.95Å; I6-M30 WeakPolarHBondContact CG2-O 3.46Å; L10-M30 HydrophobicContact CD2-CE 3.87Å; P25-M30 HydrophobicContact CB-SD 3.92Å; P25-M30 HydrophobicContact CG-SD 3.91Å; D28-M30 PolarHBondContact O-N 3.01Å; M30-W33 PolarHBondContact O-NE1 3.03Å
31F98.1Very high96.4Very high59 Ų5947.6 Ų47.626%0.25928%0.28SS..EExtended strand (participates in β ladder)trans-92.2-5.1177-70.8-100000113.1A2 L3 I6 D29 H55 F56A2-F31 HydrophobicContact CB-CE1 3.97Å; A2-F31 HydrophobicContact CB-CZ 4.14Å; L3-F31 HydrophobicContact CB-CE2 4.37Å; L3-F31 HydrophobicContact CB-CZ 4.32Å; L3-F31 HydrophobicContact CD1-CE2 3.96Å; I6-F31 HydrophobicContact CD1-CD1 3.75Å; I6-F31 HydrophobicContact CD1-CE1 3.69Å; I6-F31 HydrophobicContact CD1-CG 4.21Å; I6-F31 HydrophobicContact CD1-CZ 4.11Å; D29-F31 PolarHBondContact O-N 2.94Å; D29-F31 VanDerWaalsContact O-N 3.17Å; D29-F31 WeakPolarHBondContact OD1-CB 3.35Å; D29-F31 PolarHBondContact OD1-N 3.14Å; F31-H55 WeakPolarHBondContact O-CA 3.47Å; F31-F56 HydrophobicContact CB-CB 4.42Å; F31-F56 HydrophobicContact CD1-CB 3.79Å; F31-F56 HydrophobicContact CG-CB 4.49Å; F31-F56 WeakPolarHBondContact O-CD2 3.49Å; F31-F56 PolarHBondContact O-N 2.75Å
32H98.4Very high96.4Very high51 Ų5155.1 Ų55.124%0.23632%0.32CS..EExtended strand (participates in β ladder)trans-119.6112.1174.8179.3-146.6000110.4P25 V26 D29 T53 H55P25-H32 WeakPolarHBondContact CA-O 3.4Å; V26-H32 PolarHBondContact N-O 3.1Å; D29-H32 HydrophobicContact CB-CB 4.19Å; D29-H32 PolarHBondContact O-N 2.84Å; D29-H32 VanDerWaalsContact O-N 3.12Å; D29-H32 WeakPolarHBondContact OD2-CB 3.46Å; H32-T53 PolarHBondContact CD2-OG1 3.24Å; H32-T53 PolarHBondContact NE2-OG1 3.26Å; H32-H55 AromaticContact CD2-CD2 3.86Å; H32-H55 AromaticContact CD2-CE1 3.38Å; H32-H55 PolarHBondContact CD2-CE1 3.4Å; H32-H55 AromaticContact CD2-ND1 3.94Å; H32-H55 AromaticContact CD2-NE2 3.34Å; H32-H55 PolarHBondContact CD2-NE2 3.27Å; H32-H55 VanDerWaalsContact CD2-NE2 3.34Å; H32-H55 AromaticContact CG-NE2 3.87Å; H32-H55 AromaticContact NE2-CE1 3.53Å; H32-H55 AromaticContact NE2-NE2 3.69Å
33W98.3Very high96.5Very high0 Ų052.8 Ų52.80%030%0.304CS..EExtended strand (participates in β ladder)trans-114.4155.4178.2-71.321.7000111.3I6 L10 L13 A23 G24 M30 I54 F56 I99I6-W33 HydrophobicContact CG2-CH2 4.44Å; I6-W33 HydrophobicContact CG2-CZ2 3.47Å; I6-W33 VanDerWaalsContact CG2-CZ2 3.47Å; L10-W33 HydrophobicContact CB-CH2 3.78Å; L10-W33 HydrophobicContact CB-CZ2 3.81Å; L10-W33 HydrophobicContact CD1-CH2 4.02Å; L10-W33 HydrophobicContact CD1-CZ2 4.13Å; L10-W33 HydrophobicContact CG-CH2 4.48Å; L10-W33 HydrophobicContact CG-CZ2 4.41Å; L13-W33 HydrophobicContact CD1-CH2 4.12Å; L13-W33 HydrophobicContact CD1-CZ3 3.55Å; A23-W33 HydrophobicContact CB-CE3 4.05Å; A23-W33 HydrophobicContact CB-CZ3 4.45Å; G24-W33 CarbonylContact O-C 3.58Å; G24-W33 WeakPolarHBondContact O-CA 3.17Å; G24-W33 WeakPolarHBondContact O-CB 3.24Å; M30-W33 PolarHBondContact O-NE1 3.03Å; W33-I54 HydrophobicContact CB-CB 4.03Å; W33-I54 HydrophobicContact CB-CD1 4.37Å; W33-I54 PolarHBondContact N-O 2.88Å; W33-I54 PolarHBondContact O-N 3.42Å; W33-F56 HydrophobicContact CB-CE2 4.23Å; W33-F56 AromaticContact CD1-CE2 3.65Å; W33-F56 AromaticContact CD2-CE2 3.59Å; W33-F56 HydrophobicContact CD2-CE2 3.59Å; W33-F56 AromaticContact CD2-CZ 3.86Å; W33-F56 HydrophobicContact CD2-CZ 3.86Å; W33-F56 AromaticContact CE2-CE2 3.69Å; W33-F56 AromaticContact CE2-CZ 3.95Å; W33-F56 HydrophobicContact CE3-CE2 4.16Å; W33-F56 AromaticContact CE3-CZ 3.99Å; W33-F56 HydrophobicContact CE3-CZ 3.99Å; W33-F56 AromaticContact CG-CE2 3.61Å; W33-F56 HydrophobicContact CG-CE2 3.61Å; W33-F56 HydrophobicContact CG-CZ 4.34Å; W33-F56 HydrophobicContact CH2-CZ 4.33Å; W33-F56 HydrophobicContact CZ2-CE2 4.36Å; W33-F56 HydrophobicContact CZ2-CZ 4.21Å; W33-F56 HydrophobicContact CZ3-CZ 4.21Å; W33-F56 AromaticContact NE1-CE2 3.69Å; W33-I99 HydrophobicContact CE3-CG2 4.39Å; W33-I99 HydrophobicContact CZ3-CB 4.41Å; W33-I99 HydrophobicContact CZ3-CG1 4.35Å; W33-I99 HydrophobicContact CZ3-CG2 4.19Å
34Q98.3Very high96.6Very high97 Ų9752.3 Ų52.345%0.45330%0.299SS..EExtended strand (participates in β ladder)trans-109.3141.4163.5-176.6173.264.800108.4A23 G24 V26 L52A23-Q34 CarbonylContact C-O 3.2Å; A23-Q34 VanDerWaalsContact CA-O 3.25Å; A23-Q34 WeakPolarHBondContact CA-O 3.37Å; G24-Q34 PolarHBondContact N-O 3.47Å; G24-Q34 PolarHBondContact O-N 3.12Å; V26-Q34 HydrophobicContact CG2-CB 3.7Å; Q34-L52 WeakPolarHBondContact CA-O 3.43Å
35A97.8Very high96.7Very high1 Ų151.4 Ų51.41%0.00829%0.289CS..EExtended strand (participates in β ladder)trans-124.1154170.800000110.7S22 A23 F51 L52 I54 L103S22-A35 CarbonylContact O-C 3.56Å; S22-A35 WeakPolarHBondContact O-CA 3.44Å; S22-A35 VanDerWaalsContact O-CB 3.3Å; S22-A35 WeakPolarHBondContact O-CB 3.3Å; A23-A35 HydrophobicContact CB-CB 3.72Å; A35-F51 CarbonylContact O-C 3.57Å; A35-F51 WeakPolarHBondContact O-CA 3.46Å; A35-L52 HydrophobicContact CB-CB 4.33Å; A35-L52 PolarHBondContact N-O 3.33Å; A35-L52 PolarHBondContact O-N 3.13Å; A35-I54 HydrophobicContact CB-CD1 3.81Å; A35-I54 HydrophobicContact CB-CG1 4.38Å; A35-L103 HydrophobicContact CB-CD1 4.26Å; A35-L103 HydrophobicContact CB-CD2 3.8Å
36T97Very high96.6Very high26 Ų2654 Ų5416%0.1630%0.297CS..EExtended strand (participates in β ladder)trans-124.9130.9174.4-52.70000108.4C21 S22 V49 F50 F51C21-T36 CarbonylContact C-O 3.52Å; C21-T36 VanDerWaalsContact CA-O 3.31Å; C21-T36 WeakPolarHBondContact CA-O 3.15Å; S22-T36 PolarHBondContact N-O 3.21Å; S22-T36 PolarHBondContact O-N 3.38Å; T36-V49 HydrophobicContact CG2-CG1 3.38Å; T36-F50 CarbonylContact C-O 3.25Å; T36-F50 WeakPolarHBondContact CA-O 3.45Å; T36-F51 HydrophobicContact CG2-CD1 4.33Å; T36-F51 HydrophobicContact CG2-CE1 4.12Å
37I97Very high96.7Very high0 Ų053.2 Ų53.20%030%0.302CS..EExtended strand (participates in β ladder)trans-116.9123.4172.5-67.2177.3000107.7C21 F50 L52 L103 I106 C107 L110C21-I37 HydrophobicContact CB-CG1 4.17Å; I37-F50 PolarHBondContact N-O 2.88Å; I37-F50 PolarHBondContact O-N 3.32Å; I37-L52 HydrophobicContact CB-CD1 4.24Å; I37-L52 HydrophobicContact CD1-CD1 3.7Å; I37-L52 HydrophobicContact CD1-CD2 4.23Å; I37-L52 HydrophobicContact CG1-CD1 3.8Å; I37-L103 HydrophobicContact CD1-CD2 4.26Å; I37-I106 HydrophobicContact CD1-CB 4.03Å; I37-I106 HydrophobicContact CD1-CG2 3.56Å; I37-C107 WeakPolarHBondContact CG2-SG 3.43Å; I37-L110 HydrophobicContact CG2-CD1 3.97Å
38M97.4Very high96.8Very high84 Ų8450.2 Ų50.241%0.41427%0.271SS..EExtended strand (participates in β ladder)trans-75.7130.9167.6-57.4-56.9-6500108.1Q20 V49Q20-M38 HydrophobicContact CB-CB 4.3Å; Q20-M38 PolarHBondContact O-N 3.07Å; M38-V49 HydrophobicContact CE-CG2 3.83Å; M38-V49 HydrophobicContact SD-CG1 4.36Å; M38-V49 HydrophobicContact SD-CG2 3.95Å
39G97.1Very high97.1Very high5 Ų542.8 Ų42.85%0.05223%0.232CC..PPolyproline II helixtrans-56.2125.3175.800000110.9Y45 G48G39-Y45 WeakPolarHBondContact CA-O 3.49Å; G39-G48 PolarHBondContact N-O 3.09Å
40P96.3Very high97.2Very high3 Ų339 Ų392%0.01921%0.211CC..PPolyproline II helixtrans-59.1146-175.7-26.334.7000112.6S43 Q46 L110 C111P40-S43 WeakPolarHBondContact O-CB 3.39Å; P40-S43 PolarHBondContact O-N 3.17Å; P40-S43 PolarHBondContact O-OG 3.12Å; P40-Q46 WeakPolarHBondContact O-CA 3.39Å; P40-Q46 WeakPolarHBondContact O-CB 3.47Å; P40-L110 HydrophobicContact CG-CB 4.16Å; P40-C111 WeakPolarHBondContact CB-SG 3.45Å; P40-C111 VanDerWaalsContact CG-SG 3.55Å
41N94.2Very high97.3Very high106 Ų10640.5 Ų40.557%0.56722%0.217SC*.THydrogen-bonded Turntrans-61.2151.7171.3-64.3-25.4000110.7S43N41-S43 PolarHBondContact O-N 3.35Å; N41-S43 VanDerWaalsContact O-N 3.08Å
42D93.5Very high97.3Very high163 Ų16337.7 Ų37.787%0.87221%0.205SC*.THydrogen-bonded Turntrans59.517.4-178.7-53.3-52.2000114
43S96.6Very high97.3Very high17 Ų1736.7 Ų36.712%0.11920%0.202CC..SBendtrans-111.4159.5171.784.80000110.2P40 N41 Y45 Q46P40-S43 WeakPolarHBondContact O-CB 3.39Å; P40-S43 PolarHBondContact O-N 3.17Å; P40-S43 PolarHBondContact O-OG 3.12Å; N41-S43 PolarHBondContact O-N 3.35Å; N41-S43 VanDerWaalsContact O-N 3.08Å; S43-Y45 PolarHBondContact O-N 3.36Å; S43-Y45 WeakPolarHBondContact OG-CB 3.34Å; S43-Y45 PolarHBondContact OG-N 3.19Å; S43-Y45 VanDerWaalsContact OG-N 3.14Å; S43-Q46 WeakPolarHBondContact O-CB 3.45Å; S43-Q46 PolarHBondContact O-N 3.12Å; S43-Q46 VanDerWaalsContact O-N 3.12Å; S43-Q46 PolarHBondContact OG-N 3.38Å
44P98Very high97.3Very high16 Ų1636.7 Ų36.710%0.10420%0.202CC..THydrogen-bonded Turntrans-66.9-3.2172.931-37.3000113.6Y134 N135 A138 R139 T142P44-Y134 HydrophobicContact CG-CE1 4.19Å; P44-N135 HydrophobicContact CB-CB 4.46Å; P44-A138 HydrophobicContact CB-CB 3.57Å; P44-A138 HydrophobicContact CG-CB 3.67Å; P44-R139 HydrophobicContact CB-CG 3.82Å; P44-R139 WeakPolarHBondContact O-CA 3.47Å; P44-R139 WeakPolarHBondContact O-CG 3.34Å; P44-T142 PolarHBondContact O-OG1 2.75Å
45Y98.3Very high97.3Very high0 Ų036.1 Ų36.10%020%0.2CC..THydrogen-bonded Turntrans-95-8.7176.6-50.7-64.8000113.1G39 S43 G47 G48 F50 I73 Y74 H75 L110 Y134 A138 T142G39-Y45 WeakPolarHBondContact CA-O 3.49Å; S43-Y45 PolarHBondContact O-N 3.36Å; S43-Y45 WeakPolarHBondContact OG-CB 3.34Å; S43-Y45 PolarHBondContact OG-N 3.19Å; S43-Y45 VanDerWaalsContact OG-N 3.14Å; Y45-G47 PolarHBondContact O-N 2.85Å; Y45-G48 PolarHBondContact O-N 3.26Å; Y45-F50 AromaticContact CD1-CZ 3.94Å; Y45-F50 HydrophobicContact CD1-CZ 3.94Å; Y45-F50 HydrophobicContact CG-CZ 4.36Å; Y45-I73 HydrophobicContact CD1-CD1 3.89Å; Y45-I73 HydrophobicContact CD1-CG1 4.03Å; Y45-I73 HydrophobicContact CE1-CD1 3.71Å; Y45-I73 HydrophobicContact CE1-CG1 3.6Å; Y45-Y74 PolarHBondContact OH-O 2.88Å; Y45-H75 AromaticContact CZ-CD2 3.94Å; Y45-H75 PolarHBondContact OH-CD2 2.91Å; Y45-H75 VanDerWaalsContact OH-CD2 3.26Å; Y45-L110 HydrophobicContact CD2-CB 4.01Å; Y45-L110 HydrophobicContact CD2-CD2 4.46Å; Y45-L110 HydrophobicContact CE2-CB 4.25Å; Y45-L110 HydrophobicContact CE2-CD2 4.31Å; Y45-L110 VanDerWaalsContact CE2-O 3.27Å; Y45-L110 WeakPolarHBondContact CE2-O 3.48Å; Y45-Y134 PolarHBondContact OH-OH 3.24Å; Y45-A138 HydrophobicContact CE1-CB 4.04Å; Y45-T142 WeakPolarHBondContact CA-OG1 3.5Å; Y45-T142 WeakPolarHBondContact O-CG2 3.44Å
46Q97.4Very high97.3Very high99 Ų9936.7 Ų36.746%0.46320%0.202SC..THydrogen-bonded Turntrans-49.6133.9-176.3-179.1176.5-47.800112.1P40 S43 G48P40-Q46 WeakPolarHBondContact O-CA 3.39Å; P40-Q46 WeakPolarHBondContact O-CB 3.47Å; S43-Q46 WeakPolarHBondContact O-CB 3.45Å; S43-Q46 PolarHBondContact O-N 3.12Å; S43-Q46 VanDerWaalsContact O-N 3.12Å; S43-Q46 PolarHBondContact OG-N 3.38Å; Q46-G48 PolarHBondContact O-N 3.48Å
47G96.2Very high97.4Very high46 Ų4636.9 Ų36.947%0.47420%0.204SC..THydrogen-bonded Turntrans85.2-18.6-179.200000114.4Y45Y45-G47 PolarHBondContact O-N 2.85Å
48G97.9Very high97.3Very high0 Ų043.1 Ų43.10%024%0.242CC..  trans-73.9152.3175.200000113.7G39 Y45 Q46 A146G39-G48 PolarHBondContact N-O 3.09Å; Y45-G48 PolarHBondContact O-N 3.26Å; Q46-G48 PolarHBondContact O-N 3.48Å; G48-A146 CarbonylContact C-O 3.59Å; G48-A146 WeakPolarHBondContact CA-O 3.48Å
49V98.2Very high97.3Very high14 Ų1441.5 Ų41.59%0.08524%0.235CC..EExtended strand (participates in β ladder)trans-117.8114174.7-174.40000108.8T36 M38 F51 A146 L148T36-V49 HydrophobicContact CG2-CG1 3.38Å; M38-V49 HydrophobicContact CE-CG2 3.83Å; M38-V49 HydrophobicContact SD-CG1 4.36Å; M38-V49 HydrophobicContact SD-CG2 3.95Å; V49-F51 HydrophobicContact CG1-CE1 4.34Å; V49-F51 HydrophobicContact CG1-CE2 4.26Å; V49-F51 HydrophobicContact CG1-CZ 3.95Å; V49-A146 PolarHBondContact N-O 2.88Å; V49-L148 HydrophobicContact CB-CD1 4.26Å; V49-L148 HydrophobicContact CB-CG 4.21Å; V49-L148 HydrophobicContact CG1-CD1 4.37Å; V49-L148 HydrophobicContact CG2-CD1 3.79Å; V49-L148 HydrophobicContact CG2-CG 3.98Å
50F98.4Very high97.3Very high0 Ų041.3 Ų41.30%023%0.233CC..EExtended strand (participates in β ladder)trans-108.6121-176.3-59-87.7000110.5T36 I37 Y45 F69 T71 I73 T142 A146T36-F50 CarbonylContact C-O 3.25Å; T36-F50 WeakPolarHBondContact CA-O 3.45Å; I37-F50 PolarHBondContact N-O 2.88Å; I37-F50 PolarHBondContact O-N 3.32Å; Y45-F50 AromaticContact CD1-CZ 3.94Å; Y45-F50 HydrophobicContact CD1-CZ 3.94Å; Y45-F50 HydrophobicContact CG-CZ 4.36Å; F50-F69 HydrophobicContact CB-CD1 4.09Å; F50-F69 HydrophobicContact CB-CE1 3.77Å; F50-F69 HydrophobicContact CD1-CD1 4.5Å; F50-F69 HydrophobicContact CD1-CE1 4.38Å; F50-F69 HydrophobicContact CG-CE1 4.25Å; F50-T71 HydrophobicContact CD1-CG2 3.83Å; F50-T71 HydrophobicContact CE1-CG2 4.4Å; F50-I73 HydrophobicContact CD1-CB 4.23Å; F50-I73 HydrophobicContact CD1-CD1 3.97Å; F50-I73 HydrophobicContact CD1-CG1 4.31Å; F50-I73 HydrophobicContact CE1-CB 4.01Å; F50-I73 HydrophobicContact CE1-CD1 3.72Å; F50-I73 HydrophobicContact CE1-CG1 3.79Å; F50-I73 HydrophobicContact CZ-CD1 4.17Å; F50-I73 HydrophobicContact CZ-CG1 4.44Å; F50-T142 HydrophobicContact CZ-CG2 4.25Å; F50-A146 HydrophobicContact CD1-CB 4.02Å; F50-A146 HydrophobicContact CE1-CB 3.55Å; F50-A146 HydrophobicContact CE2-CB 4.21Å; F50-A146 HydrophobicContact CZ-CB 3.66Å
51F98.3Very high97.4Very high64 Ų6442 Ų4228%0.28124%0.237SC..EExtended strand (participates in β ladder)trans-91.4142.4175.3-61.9-73.1000110.7A35 T36 V49 T70 T71A35-F51 CarbonylContact O-C 3.57Å; A35-F51 WeakPolarHBondContact O-CA 3.46Å; T36-F51 HydrophobicContact CG2-CD1 4.33Å; T36-F51 HydrophobicContact CG2-CE1 4.12Å; V49-F51 HydrophobicContact CG1-CE1 4.34Å; V49-F51 HydrophobicContact CG1-CE2 4.26Å; V49-F51 HydrophobicContact CG1-CZ 3.95Å; F51-T70 VanDerWaalsContact C-OG1 3.3Å; F51-T70 WeakPolarHBondContact CB-OG1 3.15Å; F51-T70 PolarHBondContact O-N 3.04Å; F51-T70 PolarHBondContact O-OG1 3.08Å; F51-T70 VanDerWaalsContact O-OG1 3.1Å; F51-T71 WeakPolarHBondContact CD2-OG1 3.47Å; F51-T71 PolarHBondContact N-OG1 2.97Å; F51-T71 PolarHBondContact O-N 3.38Å
52L98.4Very high97.5Very high0 Ų044 Ų440%024%0.241CC..EExtended strand (participates in β ladder)trans-130.9149.1175.5-60.286.8000109.6Q34 A35 I37 A68 F69 I84 I106Q34-L52 WeakPolarHBondContact CA-O 3.43Å; A35-L52 HydrophobicContact CB-CB 4.33Å; A35-L52 PolarHBondContact N-O 3.33Å; A35-L52 PolarHBondContact O-N 3.13Å; I37-L52 HydrophobicContact CB-CD1 4.24Å; I37-L52 HydrophobicContact CD1-CD1 3.7Å; I37-L52 HydrophobicContact CD1-CD2 4.23Å; I37-L52 HydrophobicContact CG1-CD1 3.8Å; L52-A68 CarbonylContact C-O 3.45Å; L52-A68 WeakPolarHBondContact CA-O 3.38Å; L52-F69 HydrophobicContact CD1-CD1 4.33Å; L52-F69 HydrophobicContact CD1-CE1 4.11Å; L52-F69 HydrophobicContact CD1-CZ 4.36Å; L52-F69 HydrophobicContact CD2-CD2 3.87Å; L52-F69 HydrophobicContact CD2-CE1 4.36Å; L52-F69 HydrophobicContact CD2-CE2 3.67Å; L52-F69 HydrophobicContact CD2-CG 4.29Å; L52-F69 HydrophobicContact CD2-CZ 3.94Å; L52-F69 HydrophobicContact CG-CD1 4.11Å; L52-F69 HydrophobicContact CG-CD2 4.19Å; L52-F69 HydrophobicContact CG-CE1 4.22Å; L52-F69 HydrophobicContact CG-CE2 4.29Å; L52-F69 HydrophobicContact CG-CG 4.09Å; L52-F69 HydrophobicContact CG-CZ 4.31Å; L52-I84 HydrophobicContact CD2-CD1 4.09Å; L52-I106 HydrophobicContact CD2-CD1 4.09Å
53T98.3Very high97.6Very high29 Ų2941.7 Ų41.718%0.17822%0.223CC..EExtended strand (participates in β ladder)trans-103.5142165.9-171.90000110.2H32 H55 L67 A68 T70H32-T53 PolarHBondContact CD2-OG1 3.24Å; H32-T53 PolarHBondContact NE2-OG1 3.26Å; T53-H55 PolarHBondContact OG1-CE1 2.79Å; T53-H55 PolarHBondContact OG1-ND1 2.99Å; T53-L67 WeakPolarHBondContact O-CA 3.43Å; T53-A68 HydrophobicContact CG2-CB 4.21Å; T53-A68 PolarHBondContact N-O 2.64Å; T53-A68 PolarHBondContact O-N 2.82Å; T53-T70 HydrophobicContact CG2-CG2 4.19Å
54I98.5Very high97.7Very high0 Ų042.7 Ų42.70%023%0.229CC..EExtended strand (participates in β ladder)trans-126.1125.6179-48.4176.8000107.5A23 W33 A35 F56 P65 K66 L67 I99A23-I54 HydrophobicContact CB-CD1 4.39Å; W33-I54 HydrophobicContact CB-CB 4.03Å; W33-I54 HydrophobicContact CB-CD1 4.37Å; W33-I54 PolarHBondContact N-O 2.88Å; W33-I54 PolarHBondContact O-N 3.42Å; A35-I54 HydrophobicContact CB-CD1 3.81Å; A35-I54 HydrophobicContact CB-CG1 4.38Å; I54-F56 HydrophobicContact CG2-CD2 4.47Å; I54-F56 HydrophobicContact CG2-CE2 4.06Å; I54-F56 HydrophobicContact CG2-CZ 4.21Å; I54-P65 HydrophobicContact CG2-CB 3.91Å; I54-K66 CarbonylContact C-O 3.59Å; I54-K66 WeakPolarHBondContact CA-O 3.4Å; I54-L67 HydrophobicContact CB-CG 4.37Å; I54-L67 HydrophobicContact CD1-CD2 4.26Å; I54-L67 HydrophobicContact CG1-CD2 4Å; I54-L67 HydrophobicContact CG1-CG 3.95Å; I54-L67 HydrophobicContact CG2-CD1 4.18Å; I54-L67 HydrophobicContact CG2-CG 4.16Å; I54-I99 HydrophobicContact CD1-CG2 3.93Å; I54-I99 HydrophobicContact CG2-CD1 4.03Å
55H98.4Very high97.7Very high86 Ų8642 Ų4240%0.39823%0.225SC..EExtended strand (participates in β ladder)trans-118.9119.2173-69.178.6000110F31 H32 T53 P65 K66F31-H55 WeakPolarHBondContact O-CA 3.47Å; H32-H55 AromaticContact CD2-CD2 3.86Å; H32-H55 AromaticContact CD2-CE1 3.38Å; H32-H55 PolarHBondContact CD2-CE1 3.4Å; H32-H55 AromaticContact CD2-ND1 3.94Å; H32-H55 AromaticContact CD2-NE2 3.34Å; H32-H55 PolarHBondContact CD2-NE2 3.27Å; H32-H55 VanDerWaalsContact CD2-NE2 3.34Å; H32-H55 AromaticContact CG-NE2 3.87Å; H32-H55 AromaticContact NE2-CE1 3.53Å; H32-H55 AromaticContact NE2-NE2 3.69Å; T53-H55 PolarHBondContact OG1-CE1 2.79Å; T53-H55 PolarHBondContact OG1-ND1 2.99Å; H55-P65 CarbonylContact O-C 3.59Å; H55-P65 WeakPolarHBondContact O-CA 3.46Å; H55-K66 HydrophobicContact CB-CB 4.41Å; H55-K66 PolarHBondContact N-O 2.84Å; H55-K66 PolarHBondContact O-N 3.47Å
56F98.4Very high97.6Very high13 Ų1350 Ų506%0.05726%0.259CS..  trans-82137.1176.4-62.6-93.4000110.2I6 F31 W33 I54 Y60 P65 I99I6-F56 HydrophobicContact CD1-CB 3.76Å; I6-F56 HydrophobicContact CD1-CD1 4.03Å; I6-F56 HydrophobicContact CD1-CD2 4.13Å; I6-F56 HydrophobicContact CD1-CG 3.72Å; I6-F56 HydrophobicContact CG1-CD1 3.91Å; I6-F56 HydrophobicContact CG1-CE1 4.12Å; I6-F56 HydrophobicContact CG1-CG 4.09Å; I6-F56 HydrophobicContact CG2-CE2 4.38Å; I6-F56 HydrophobicContact CG2-CZ 4.38Å; F31-F56 HydrophobicContact CB-CB 4.42Å; F31-F56 HydrophobicContact CD1-CB 3.79Å; F31-F56 HydrophobicContact CG-CB 4.49Å; F31-F56 WeakPolarHBondContact O-CD2 3.49Å; F31-F56 PolarHBondContact O-N 2.75Å; W33-F56 HydrophobicContact CB-CE2 4.23Å; W33-F56 AromaticContact CD1-CE2 3.65Å; W33-F56 AromaticContact CD2-CE2 3.59Å; W33-F56 HydrophobicContact CD2-CE2 3.59Å; W33-F56 AromaticContact CD2-CZ 3.86Å; W33-F56 HydrophobicContact CD2-CZ 3.86Å; W33-F56 AromaticContact CE2-CE2 3.69Å; W33-F56 AromaticContact CE2-CZ 3.95Å; W33-F56 HydrophobicContact CE3-CE2 4.16Å; W33-F56 AromaticContact CE3-CZ 3.99Å; W33-F56 HydrophobicContact CE3-CZ 3.99Å; W33-F56 AromaticContact CG-CE2 3.61Å; W33-F56 HydrophobicContact CG-CE2 3.61Å; W33-F56 HydrophobicContact CG-CZ 4.34Å; W33-F56 HydrophobicContact CH2-CZ 4.33Å; W33-F56 HydrophobicContact CZ2-CE2 4.36Å; W33-F56 HydrophobicContact CZ2-CZ 4.21Å; W33-F56 HydrophobicContact CZ3-CZ 4.21Å; W33-F56 AromaticContact NE1-CE2 3.69Å; I54-F56 HydrophobicContact CG2-CD2 4.47Å; I54-F56 HydrophobicContact CG2-CE2 4.06Å; I54-F56 HydrophobicContact CG2-CZ 4.21Å; F56-Y60 AromaticContact CD1-CD1 3.87Å; F56-Y60 HydrophobicContact CD1-CD1 3.87Å; F56-Y60 AromaticContact CD1-CD2 3.85Å; F56-Y60 HydrophobicContact CD1-CD2 3.85Å; F56-Y60 AromaticContact CD1-CE1 3.87Å; F56-Y60 HydrophobicContact CD1-CE1 3.87Å; F56-Y60 AromaticContact CD1-CE2 3.88Å; F56-Y60 HydrophobicContact CD1-CE2 3.88Å; F56-Y60 AromaticContact CD1-CG 3.85Å; F56-Y60 HydrophobicContact CD1-CG 3.85Å; F56-Y60 AromaticContact CD1-CZ 3.89Å; F56-Y60 HydrophobicContact CE1-CD1 4.37Å; F56-Y60 AromaticContact CE1-CE1 3.92Å; F56-Y60 HydrophobicContact CE1-CE1 3.92Å; F56-Y60 HydrophobicContact CE1-CE2 4.2Å; F56-Y60 AromaticContact CE1-CZ 3.85Å; F56-P65 HydrophobicContact CD1-CB 4.18Å; F56-I99 HydrophobicContact CE1-CD1 3.62Å; F56-I99 HydrophobicContact CE1-CG1 3.62Å; F56-I99 HydrophobicContact CZ-CD1 3.81Å; F56-I99 HydrophobicContact CZ-CG1 3.6Å
57P97.8Very high97.7Very high30 Ų3046 Ų4620%0.19524%0.241CC..  trans-75159.2171.234.1-37.2000110.7D59 Y60 K63 P64P57-D59 WeakPolarHBondContact CB-OD1 3.39Å; P57-D59 PolarHBondContact O-N 2.98Å; P57-Y60 VanDerWaalsContact O-CB 3.31Å; P57-Y60 WeakPolarHBondContact O-CB 3.37Å; P57-Y60 PolarHBondContact O-N 2.86Å; P57-Y60 VanDerWaalsContact O-N 3.08Å; P57-K63 HydrophobicContact CB-CB 4.29Å; P57-K63 HydrophobicContact CG-CB 3.74Å; P57-P64 WeakPolarHBondContact CD-O 3.16Å
58T96.6Very high97.7Very high130 Ų13045 Ų4580%0.79823%0.228SC*.THydrogen-bonded Turntrans-63.1-24.2-179.851.50000113.5A2A2-T58 WeakPolarHBondContact CB-O 3.24Å
59D96.3Very high97.8Very high50 Ų5045.4 Ų45.427%0.26723%0.23SC..THydrogen-bonded Turntrans-10017.117858.9-2.7000113.3P57 F62 K63P57-D59 WeakPolarHBondContact CB-OD1 3.39Å; P57-D59 PolarHBondContact O-N 2.98Å; D59-F62 WeakPolarHBondContact O-CB 3.37Å; D59-F62 WeakPolarHBondContact O-CD2 3.32Å; D59-F62 PolarHBondContact O-N 2.97Å; D59-K63 WeakPolarHBondContact OD1-CB 3.37Å; D59-K63 WeakPolarHBondContact OD1-CD 3.39Å; D59-K63 WeakPolarHBondContact OD2-CD 3.41Å; D59-K63 WeakPolarHBondContact OD2-CE 3.49Å; D59-K63 WeakPolarHBondContact OD2-CG 3.22Å; D59-K63 IonicContact OD2-NZ 3.8Å; D59-K63 PolarHBondContact OD2-NZ 2.88Å
60Y97.9Very high97.8Very high2 Ų248.7 Ų48.71%0.00825%0.25CS..THydrogen-bonded Turntrans-53.9136.1171.7-169.9-105000111.1A2 R5 I6 E9 F56 P57 K63 P65 W93A2-Y60 WeakPolarHBondContact CA-O 3.21Å; A2-Y60 WeakPolarHBondContact CB-O 3.39Å; R5-Y60 HydrophobicContact CB-CD1 4.5Å; R5-Y60 HydrophobicContact CG-CD1 3.89Å; R5-Y60 HydrophobicContact CG-CE1 3.65Å; I6-Y60 HydrophobicContact CD1-CD1 4.45Å; I6-Y60 HydrophobicContact CG1-CD1 3.8Å; I6-Y60 HydrophobicContact CG1-CE1 4.18Å; E9-Y60 PolarHBondContact OE1-OH 3.31Å; E9-Y60 PolarHBondContact OE2-OH 3.15Å; F56-Y60 AromaticContact CD1-CD1 3.87Å; F56-Y60 HydrophobicContact CD1-CD1 3.87Å; F56-Y60 AromaticContact CD1-CD2 3.85Å; F56-Y60 HydrophobicContact CD1-CD2 3.85Å; F56-Y60 AromaticContact CD1-CE1 3.87Å; F56-Y60 HydrophobicContact CD1-CE1 3.87Å; F56-Y60 AromaticContact CD1-CE2 3.88Å; F56-Y60 HydrophobicContact CD1-CE2 3.88Å; F56-Y60 AromaticContact CD1-CG 3.85Å; F56-Y60 HydrophobicContact CD1-CG 3.85Å; F56-Y60 AromaticContact CD1-CZ 3.89Å; F56-Y60 HydrophobicContact CE1-CD1 4.37Å; F56-Y60 AromaticContact CE1-CE1 3.92Å; F56-Y60 HydrophobicContact CE1-CE1 3.92Å; F56-Y60 HydrophobicContact CE1-CE2 4.2Å; F56-Y60 AromaticContact CE1-CZ 3.85Å; P57-Y60 VanDerWaalsContact O-CB 3.31Å; P57-Y60 WeakPolarHBondContact O-CB 3.37Å; P57-Y60 PolarHBondContact O-N 2.86Å; P57-Y60 VanDerWaalsContact O-N 3.08Å; Y60-K63 WeakPolarHBondContact CD2-O 3.49Å; Y60-P65 HydrophobicContact CE2-CG 4.3Å; Y60-W93 HydrophobicContact CD2-CZ2 4.27Å; Y60-W93 AromaticContact CE2-CH2 3.7Å; Y60-W93 HydrophobicContact CE2-CH2 3.7Å; Y60-W93 AromaticContact CE2-CZ2 3.53Å; Y60-W93 HydrophobicContact CE2-CZ2 3.53Å
61P97.3Very high97.8Very high17 Ų1749.5 Ų49.511%0.1126%0.255CS..THydrogen-bonded Turncis-95.115.5839.2-37.4000115.1R5 K63 W93 P95R5-P61 HydrophobicContact CG-CB 4.34Å; R5-P61 HydrophobicContact CG-CG 4.22Å; P61-K63 VanDerWaalsContact C-N 3.29Å; P61-K63 PolarHBondContact O-N 2.81Å; P61-W93 HydrophobicContact CB-CZ2 4.47Å; P61-W93 PolarHBondContact O-NE1 2.97Å; P61-P95 HydrophobicContact CB-CB 4.24Å; P61-P95 HydrophobicContact CG-CB 4.06Å; P61-P95 WeakPolarHBondContact O-CA 3.27Å
62F96.8Very high97.8Very high147 Ų14753.7 Ų53.765%0.64527%0.269SS*.SBendtrans-74.2-21.7-178.2-59.4-69.6000113.1D59 P95D59-F62 WeakPolarHBondContact O-CB 3.37Å; D59-F62 WeakPolarHBondContact O-CD2 3.32Å; D59-F62 PolarHBondContact O-N 2.97Å; F62-P95 HydrophobicContact CD1-CG 4.2Å
63K96.6Very high97.8Very high116 Ų11654.2 Ų54.250%0.50427%0.272SS..SBendtrans-116.7150.3166.2-70-172.4-1751340111.1P57 D59 Y60 P61P57-K63 HydrophobicContact CB-CB 4.29Å; P57-K63 HydrophobicContact CG-CB 3.74Å; D59-K63 WeakPolarHBondContact OD1-CB 3.37Å; D59-K63 WeakPolarHBondContact OD1-CD 3.39Å; D59-K63 WeakPolarHBondContact OD2-CD 3.41Å; D59-K63 WeakPolarHBondContact OD2-CE 3.49Å; D59-K63 WeakPolarHBondContact OD2-CG 3.22Å; D59-K63 IonicContact OD2-NZ 3.8Å; D59-K63 PolarHBondContact OD2-NZ 2.88Å; Y60-K63 WeakPolarHBondContact CD2-O 3.49Å; P61-K63 VanDerWaalsContact C-N 3.29Å; P61-K63 PolarHBondContact O-N 2.81Å
64P97.4Very high97.8Very high37 Ų3753.9 Ų53.924%0.2427%0.267CS..PPolyproline II helixtrans-66151.7176.725.9-32.7000111.7P57 L89 W93P57-P64 WeakPolarHBondContact CD-O 3.16Å; P64-L89 WeakPolarHBondContact CG-O 3.31Å; P64-W93 HydrophobicContact CB-CB 4Å; P64-W93 HydrophobicContact CB-CD2 3.53Å; P64-W93 HydrophobicContact CB-CE3 3.75Å; P64-W93 HydrophobicContact CB-CG 3.62Å; P64-W93 HydrophobicContact CB-CZ3 4.48Å; P64-W93 HydrophobicContact CG-CB 4.16Å; P64-W93 HydrophobicContact CG-CD2 4.47Å; P64-W93 HydrophobicContact CG-CG 4.06Å
65P97.8Very high97.8Very high3 Ų353.9 Ų53.92%0.01927%0.267CS..PPolyproline II helixtrans-68.9151.316630.2-27.8000109.9I54 H55 F56 Y60 L67 W93 I99I54-P65 HydrophobicContact CG2-CB 3.91Å; H55-P65 CarbonylContact O-C 3.59Å; H55-P65 WeakPolarHBondContact O-CA 3.46Å; F56-P65 HydrophobicContact CD1-CB 4.18Å; Y60-P65 HydrophobicContact CE2-CG 4.3Å; P65-L67 HydrophobicContact CB-CD1 3.93Å; P65-L67 HydrophobicContact CG-CD1 3.66Å; P65-W93 HydrophobicContact CG-CH2 4.35Å; P65-W93 HydrophobicContact CG-CZ3 4.4Å; P65-I99 HydrophobicContact CB-CD1 4.23Å; P65-I99 HydrophobicContact CG-CD1 3.68Å
66K97.7Very high97.8Very high167 Ų16749.8 Ų49.873%0.72625%0.248SC*.EExtended strand (participates in β ladder)trans-88.6119.8171.3-66.3-178179.9179.20108.9I54 H55I54-K66 CarbonylContact C-O 3.59Å; I54-K66 WeakPolarHBondContact CA-O 3.4Å; H55-K66 HydrophobicContact CB-CB 4.41Å; H55-K66 PolarHBondContact N-O 2.84Å; H55-K66 PolarHBondContact O-N 3.47Å
67L97.7Very high97.8Very high16 Ų1649.2 Ų49.28%0.08425%0.246CC..EExtended strand (participates in β ladder)trans-113.4140.2175.4-72.985.3000110.7T53 I54 P65 I84 L89 V102 L103 I106T53-L67 WeakPolarHBondContact O-CA 3.43Å; I54-L67 HydrophobicContact CB-CG 4.37Å; I54-L67 HydrophobicContact CD1-CD2 4.26Å; I54-L67 HydrophobicContact CG1-CD2 4Å; I54-L67 HydrophobicContact CG1-CG 3.95Å; I54-L67 HydrophobicContact CG2-CD1 4.18Å; I54-L67 HydrophobicContact CG2-CG 4.16Å; P65-L67 HydrophobicContact CB-CD1 3.93Å; P65-L67 HydrophobicContact CG-CD1 3.66Å; L67-I84 HydrophobicContact CB-CD1 4.14Å; L67-L89 HydrophobicContact CB-CD1 4.35Å; L67-L89 HydrophobicContact CD1-CD1 4.44Å; L67-L89 HydrophobicContact CD1-CD2 3.8Å; L67-V102 HydrophobicContact CD1-CG1 4.12Å; L67-V102 HydrophobicContact CD2-CG1 3.69Å; L67-L103 HydrophobicContact CD2-CD2 4.49Å; L67-I106 HydrophobicContact CD2-CD1 3.78Å
68A98.1Very high97.8Very high24 Ų2447.9 Ų47.920%0.19824%0.237CC..EExtended strand (participates in β ladder)trans-145.9142.617000000110.8L52 T53 G82L52-A68 CarbonylContact C-O 3.45Å; L52-A68 WeakPolarHBondContact CA-O 3.38Å; T53-A68 HydrophobicContact CG2-CB 4.21Å; T53-A68 PolarHBondContact N-O 2.64Å; T53-A68 PolarHBondContact O-N 2.82Å; A68-G82 CarbonylContact C-O 3.36Å; A68-G82 WeakPolarHBondContact CA-O 3.46Å
69F98.5Very high97.8Very high9 Ų943.6 Ų43.64%0.03921%0.21CC..EExtended strand (participates in β ladder)trans-67.5131.3168-80.5-103.5000110F50 L52 I73 I78 G82 I84 I106F50-F69 HydrophobicContact CB-CD1 4.09Å; F50-F69 HydrophobicContact CB-CE1 3.77Å; F50-F69 HydrophobicContact CD1-CD1 4.5Å; F50-F69 HydrophobicContact CD1-CE1 4.38Å; F50-F69 HydrophobicContact CG-CE1 4.25Å; L52-F69 HydrophobicContact CD1-CD1 4.33Å; L52-F69 HydrophobicContact CD1-CE1 4.11Å; L52-F69 HydrophobicContact CD1-CZ 4.36Å; L52-F69 HydrophobicContact CD2-CD2 3.87Å; L52-F69 HydrophobicContact CD2-CE1 4.36Å; L52-F69 HydrophobicContact CD2-CE2 3.67Å; L52-F69 HydrophobicContact CD2-CG 4.29Å; L52-F69 HydrophobicContact CD2-CZ 3.94Å; L52-F69 HydrophobicContact CG-CD1 4.11Å; L52-F69 HydrophobicContact CG-CD2 4.19Å; L52-F69 HydrophobicContact CG-CE1 4.22Å; L52-F69 HydrophobicContact CG-CE2 4.29Å; L52-F69 HydrophobicContact CG-CG 4.09Å; L52-F69 HydrophobicContact CG-CZ 4.31Å; F69-I73 HydrophobicContact CD1-CG2 4.23Å; F69-I73 HydrophobicContact CE1-CD1 4.28Å; F69-I73 HydrophobicContact CG-CG2 4.4Å; F69-I78 HydrophobicContact CB-CG2 4.4Å; F69-I78 HydrophobicContact CD2-CD1 3.89Å; F69-I78 HydrophobicContact CD2-CG1 4.38Å; F69-I78 HydrophobicContact CD2-CG2 3.88Å; F69-I78 HydrophobicContact CE1-CD1 4.41Å; F69-I78 HydrophobicContact CE2-CD1 3.4Å; F69-I78 HydrophobicContact CE2-CG1 4.17Å; F69-I78 HydrophobicContact CE2-CG2 4.49Å; F69-I78 HydrophobicContact CG-CG2 4.27Å; F69-I78 HydrophobicContact CZ-CD1 3.7Å; F69-G82 PolarHBondContact N-O 3.42Å; F69-G82 WeakPolarHBondContact O-CA 3.17Å; F69-I84 HydrophobicContact CD2-CD1 3.71Å; F69-I84 HydrophobicContact CD2-CG1 3.75Å; F69-I84 HydrophobicContact CE2-CD1 3.6Å; F69-I84 HydrophobicContact CE2-CG1 3.87Å; F69-I106 HydrophobicContact CE2-CG2 3.91Å; F69-I106 HydrophobicContact CZ-CG2 3.74Å
70T98.1Very high97.7Very high83 Ų8346.3 Ų46.351%0.50923%0.232SC..SBendtrans-95-27.616854.90000110.9F51 T53F51-T70 VanDerWaalsContact C-OG1 3.3Å; F51-T70 WeakPolarHBondContact CB-OG1 3.15Å; F51-T70 PolarHBondContact O-N 3.04Å; F51-T70 PolarHBondContact O-OG1 3.08Å; F51-T70 VanDerWaalsContact O-OG1 3.1Å; T53-T70 HydrophobicContact CG2-CG2 4.19Å
71T98.3Very high97.6Very high16 Ų1652.3 Ų52.310%0.09826%0.264CS..SBendtrans-78.4134168-57.20000110.5F50 F51 Y145 A146F50-T71 HydrophobicContact CD1-CG2 3.83Å; F50-T71 HydrophobicContact CE1-CG2 4.4Å; F51-T71 WeakPolarHBondContact CD2-OG1 3.47Å; F51-T71 PolarHBondContact N-OG1 2.97Å; F51-T71 PolarHBondContact O-N 3.38Å; T71-Y145 VanDerWaalsContact CG2-O 3.32Å; T71-Y145 WeakPolarHBondContact CG2-O 3.38Å; T71-A146 HydrophobicContact CG2-CB 3.97Å
72R98.1Very high97.5Very high152 Ų15251.7 Ų51.757%0.57426%0.262SS*.  trans-68.4138.3175.1-65.7-176.9-178.1-174.41.1110.4W141 Y145R72-W141 HydrophobicContact CB-CE3 4.26Å; R72-W141 HydrophobicContact CB-CZ3 4.04Å; R72-Y145 HydrophobicContact CB-CD1 4.41Å; R72-Y145 HydrophobicContact CB-CD2 4.02Å; R72-Y145 HydrophobicContact CB-CG 3.95Å
73I98.6Very high97.5Very high11 Ų1147.1 Ų47.16%0.05625%0.247CC..  trans-142145-179.5-170.5171.3000110.4Y45 F50 F69 H75 I78 L110Y45-I73 HydrophobicContact CD1-CD1 3.89Å; Y45-I73 HydrophobicContact CD1-CG1 4.03Å; Y45-I73 HydrophobicContact CE1-CD1 3.71Å; Y45-I73 HydrophobicContact CE1-CG1 3.6Å; F50-I73 HydrophobicContact CD1-CB 4.23Å; F50-I73 HydrophobicContact CD1-CD1 3.97Å; F50-I73 HydrophobicContact CD1-CG1 4.31Å; F50-I73 HydrophobicContact CE1-CB 4.01Å; F50-I73 HydrophobicContact CE1-CD1 3.72Å; F50-I73 HydrophobicContact CE1-CG1 3.79Å; F50-I73 HydrophobicContact CZ-CD1 4.17Å; F50-I73 HydrophobicContact CZ-CG1 4.44Å; F69-I73 HydrophobicContact CD1-CG2 4.23Å; F69-I73 HydrophobicContact CE1-CD1 4.28Å; F69-I73 HydrophobicContact CG-CG2 4.4Å; I73-H75 HydrophobicContact CG1-CB 4.32Å; I73-H75 HydrophobicContact CG2-CB 4.47Å; I73-I78 HydrophobicContact CD1-CD1 4.27Å; I73-I78 HydrophobicContact CG2-CB 3.97Å; I73-I78 HydrophobicContact CG2-CD1 3.83Å; I73-I78 HydrophobicContact CG2-CG2 3.69Å; I73-L110 HydrophobicContact CD1-CD2 3.49Å; I73-L110 VanDerWaalsContact CD1-CD2 3.49Å
74Y98.5Very high97.6Very high22 Ų2242 Ų429%0.08623%0.226CC..  trans-95.992.1176.1-173.8-94.8000109.8Y45 I123 I126 Y134 L137 A138 W141Y45-Y74 PolarHBondContact OH-O 2.88Å; Y74-I123 HydrophobicContact CD1-CD1 4.5Å; Y74-I123 HydrophobicContact CD1-CG2 4.11Å; Y74-I123 HydrophobicContact CD2-CD1 3.74Å; Y74-I123 HydrophobicContact CD2-CG1 4.27Å; Y74-I123 HydrophobicContact CE1-CD1 4.46Å; Y74-I123 HydrophobicContact CE1-CG1 4.26Å; Y74-I123 HydrophobicContact CE1-CG2 3.67Å; Y74-I123 HydrophobicContact CE2-CD1 3.68Å; Y74-I123 HydrophobicContact CE2-CG1 3.68Å; Y74-I123 HydrophobicContact CG-CD1 4.16Å; Y74-I126 WeakPolarHBondContact OH-CD1 3.25Å; Y74-Y134 HydrophobicContact CD1-CD2 4.18Å; Y74-Y134 HydrophobicContact CD1-CE2 4.19Å; Y74-Y134 AromaticContact CE1-CD2 3.81Å; Y74-Y134 HydrophobicContact CE1-CD2 3.81Å; Y74-Y134 HydrophobicContact CE1-CE2 4.23Å; Y74-L137 HydrophobicContact CD1-CB 4.09Å; Y74-L137 HydrophobicContact CE1-CB 3.8Å; Y74-L137 HydrophobicContact CE1-CD1 4.25Å; Y74-L137 HydrophobicContact CE2-CB 4.45Å; Y74-L137 HydrophobicContact CE2-CD1 4.44Å; Y74-L137 WeakPolarHBondContact OH-CD1 3.3Å; Y74-A138 HydrophobicContact CD1-CB 4.13Å; Y74-W141 HydrophobicContact CD2-CD2 4.29Å; Y74-W141 AromaticContact CD2-CE2 3.93Å; Y74-W141 HydrophobicContact CD2-CZ2 4.25Å; Y74-W141 AromaticContact CD2-NE1 3.96Å; Y74-W141 HydrophobicContact CG-CD2 4.47Å; Y74-W141 HydrophobicContact CG-CG 4.43Å
75H98.6Very high97.3Very high0 Ų040.7 Ų40.70%022%0.217CC..BIsolated β-bridgetrans-144.9141.4-173.1-171-82.3000111.3Y45 I73 N77 I78 L109Y45-H75 AromaticContact CZ-CD2 3.94Å; Y45-H75 PolarHBondContact OH-CD2 2.91Å; Y45-H75 VanDerWaalsContact OH-CD2 3.26Å; I73-H75 HydrophobicContact CG1-CB 4.32Å; I73-H75 HydrophobicContact CG2-CB 4.47Å; H75-N77 VanDerWaalsContact C-N 3.32Å; H75-N77 PolarHBondContact CE1-OD1 3.2Å; H75-N77 PolarHBondContact ND1-N 2.84Å; H75-N77 PolarHBondContact O-N 2.84Å; H75-I78 HydrophobicContact CB-CB 4.09Å; H75-I78 HydrophobicContact CB-CD1 3.95Å; H75-I78 HydrophobicContact CB-CG1 4.17Å; H75-I78 PolarHBondContact O-N 3.3Å; H75-L109 PolarHBondContact NE2-O 3.46Å
76P98.2Very high97.1Very high0 Ų041.6 Ų41.60%022%0.222CC..THydrogen-bonded Turntrans-67.2-30.1-176.726.2-35000113.8P113 L119 V120 I123 A124P76-P113 HydrophobicContact CG-CB 3.47Å; P76-P113 VanDerWaalsContact CG-CB 3.47Å; P76-P113 HydrophobicContact CG-CG 4.44Å; P76-L119 PolarHBondContact O-N 3.24Å; P76-V120 PolarHBondContact O-N 3.12Å; P76-I123 HydrophobicContact CB-CB 4.38Å; P76-I123 HydrophobicContact CB-CG2 4.1Å; P76-A124 HydrophobicContact CB-CB 3.78Å
77N98.3Very high96.8Very high1 Ų136.7 Ų36.71%0.00520%0.203CC..THydrogen-bonded Turntrans-97.99.1179.5-48.797.2000114.3H75 C85 L109 N114 D117 L119H75-N77 VanDerWaalsContact C-N 3.32Å; H75-N77 PolarHBondContact CE1-OD1 3.2Å; H75-N77 PolarHBondContact ND1-N 2.84Å; H75-N77 PolarHBondContact O-N 2.84Å; N77-C85 PolarHBondContact O-N 3.34Å; N77-L109 HydrophobicContact CB-CD1 4.3Å; N77-L109 HydrophobicContact CB-CD2 4.05Å; N77-N114 PolarHBondContact ND2-O 3.49Å; N77-N114 PolarHBondContact OD1-N 3.38Å; N77-N114 PolarHBondContact OD1-O 3.49Å; N77-D117 PolarHBondContact ND2-O 2.84Å; N77-L119 WeakPolarHBondContact O-CD1 3.11Å
78I98.4Very high96.6Very high2 Ų236.9 Ų36.91%0.0120%0.204CC..BIsolated β-bridgetrans-131.5120.6178-52.1164.3000108.4F69 I73 H75 S83 I84 L110F69-I78 HydrophobicContact CB-CG2 4.4Å; F69-I78 HydrophobicContact CD2-CD1 3.89Å; F69-I78 HydrophobicContact CD2-CG1 4.38Å; F69-I78 HydrophobicContact CD2-CG2 3.88Å; F69-I78 HydrophobicContact CE1-CD1 4.41Å; F69-I78 HydrophobicContact CE2-CD1 3.4Å; F69-I78 HydrophobicContact CE2-CG1 4.17Å; F69-I78 HydrophobicContact CE2-CG2 4.49Å; F69-I78 HydrophobicContact CG-CG2 4.27Å; F69-I78 HydrophobicContact CZ-CD1 3.7Å; I73-I78 HydrophobicContact CD1-CD1 4.27Å; I73-I78 HydrophobicContact CG2-CB 3.97Å; I73-I78 HydrophobicContact CG2-CD1 3.83Å; I73-I78 HydrophobicContact CG2-CG2 3.69Å; H75-I78 HydrophobicContact CB-CB 4.09Å; H75-I78 HydrophobicContact CB-CD1 3.95Å; H75-I78 HydrophobicContact CB-CG1 4.17Å; H75-I78 PolarHBondContact O-N 3.3Å; I78-S83 VanDerWaalsContact CA-O 3.31Å; I78-S83 WeakPolarHBondContact CA-O 3.41Å; I78-I84 HydrophobicContact CG1-CG1 4.46Å; I78-L110 HydrophobicContact CD1-CD2 4.08Å
79N96.4Very high96.3Very high41 Ų4136.8 Ų36.822%0.21920%0.2CC..  trans-86175.6-179.472.113.6000112.5N81 G82 S83 L119 V120N79-N81 PolarHBondContact O-N 2.86Å; N79-N81 WeakPolarHBondContact OD1-CA 3.4Å; N79-N81 WeakPolarHBondContact OD1-CB 3.27Å; N79-N81 PolarHBondContact OD1-N 2.85Å; N79-N81 VanDerWaalsContact OD1-N 3.07Å; N79-G82 WeakPolarHBondContact O-CA 3.44Å; N79-G82 PolarHBondContact O-N 2.92Å; N79-G82 PolarHBondContact OD1-N 2.91Å; N79-S83 PolarHBondContact N-O 3.43Å; N79-S83 VanDerWaalsContact N-O 3.12Å; N79-S83 WeakPolarHBondContact OD1-CB 3.31Å; N79-S83 PolarHBondContact OD1-N 3.01Å; N79-L119 HydrophobicContact CB-CB 4.39Å; N79-V120 HydrophobicContact CB-CG2 4.14Å
80S94.3Very high95.9Very high106 Ų10643.1 Ų43.174%0.74122%0.224SC*.THydrogen-bonded Turntrans-63.6-19.1179.852.50000114.7G82S80-G82 VanDerWaalsContact C-N 3.25Å
81N95.3Very high95.6Very high128 Ų12844.4 Ų44.468%0.68424%0.236SC*.THydrogen-bonded Turntrans-87.34.3173.1-62-22.1000112N79 S83N79-N81 PolarHBondContact O-N 2.86Å; N79-N81 WeakPolarHBondContact OD1-CA 3.4Å; N79-N81 WeakPolarHBondContact OD1-CB 3.27Å; N79-N81 PolarHBondContact OD1-N 2.85Å; N79-N81 VanDerWaalsContact OD1-N 3.07Å; N81-S83 PolarHBondContact O-N 3.06Å
82G96.7Very high95.5Very high5 Ų549.2 Ų49.25%0.05226%0.257CS..  trans74.96.9-17900000114.8A68 F69 N79 S80A68-G82 CarbonylContact C-O 3.36Å; A68-G82 WeakPolarHBondContact CA-O 3.46Å; F69-G82 PolarHBondContact N-O 3.42Å; F69-G82 WeakPolarHBondContact O-CA 3.17Å; N79-G82 WeakPolarHBondContact O-CA 3.44Å; N79-G82 PolarHBondContact O-N 2.92Å; N79-G82 PolarHBondContact OD1-N 2.91Å; S80-G82 VanDerWaalsContact C-N 3.25Å
83S96.9Very high95.4Very high50 Ų5043.3 Ų43.335%0.3524%0.235SC..BIsolated β-bridgetrans-67.7138.1176.7-53.70000110.2I78 N79 N81 L119I78-S83 VanDerWaalsContact CA-O 3.31Å; I78-S83 WeakPolarHBondContact CA-O 3.41Å; N79-S83 PolarHBondContact N-O 3.43Å; N79-S83 VanDerWaalsContact N-O 3.12Å; N79-S83 WeakPolarHBondContact OD1-CB 3.31Å; N79-S83 PolarHBondContact OD1-N 3.01Å; N81-S83 PolarHBondContact O-N 3.06Å; S83-L119 WeakPolarHBondContact O-CD1 3.47Å
84I96.9Very high95.4Very high10 Ų1045.3 Ų45.35%0.05125%0.25CS..BIsolated β-bridgetrans-106.7134.1-176.3-50.7169.1000108.9L52 L67 F69 I78 L86 L89 I106 L109L52-I84 HydrophobicContact CD2-CD1 4.09Å; L67-I84 HydrophobicContact CB-CD1 4.14Å; F69-I84 HydrophobicContact CD2-CD1 3.71Å; F69-I84 HydrophobicContact CD2-CG1 3.75Å; F69-I84 HydrophobicContact CE2-CD1 3.6Å; F69-I84 HydrophobicContact CE2-CG1 3.87Å; I78-I84 HydrophobicContact CG1-CG1 4.46Å; I84-L86 HydrophobicContact CG2-CB 4Å; I84-L89 HydrophobicContact CB-CD1 4.48Å; I84-I106 HydrophobicContact CD1-CD1 3.8Å; I84-I106 HydrophobicContact CD1-CG1 4.34Å; I84-L109 HydrophobicContact CG2-CD2 4.12Å
85C92.8Very high95.3Very high8 Ų846.8 Ų46.85%0.05426%0.263CS..  trans-97.2102.8163.5-161.80000109.3N77 D117 L119N77-C85 PolarHBondContact O-N 3.34Å; C85-D117 PolarHBondContact SG-OD2 2.98Å; C85-L119 HydrophobicContact CB-CD1 3.79Å; C85-L119 HydrophobicContact CB-CD2 3.96Å; C85-L119 HydrophobicContact CB-CG 3.52Å
86L92.6Very high95.2Very high22 Ų2250.1 Ų50.112%0.11529%0.29CS..  trans-142.6124.5175.8-171.568.9000106.7I84 I88 L89 I106 L109I84-L86 HydrophobicContact CG2-CB 4Å; L86-I88 VanDerWaalsContact C-N 3.3Å; L86-I88 HydrophobicContact CD2-CD1 3.83Å; L86-I88 HydrophobicContact CD2-CG1 3.52Å; L86-I88 HydrophobicContact CG-CD1 4.49Å; L86-I88 HydrophobicContact CG-CG1 3.71Å; L86-I88 PolarHBondContact O-N 3.39Å; L86-L89 HydrophobicContact CB-CD1 4.22Å; L86-L89 HydrophobicContact CB-CG 4.33Å; L86-L89 HydrophobicContact CD2-CD1 4.45Å; L86-L89 HydrophobicContact CD2-CG 4.37Å; L86-L89 WeakPolarHBondContact O-CB 3.39Å; L86-L89 PolarHBondContact O-N 2.84Å; L86-I106 HydrophobicContact CD2-CG1 4.08Å; L86-L109 HydrophobicContact CD1-CD2 4.38Å
87D91.1Very high95.1Very high64 Ų6451.6 Ų51.634%0.34230%0.298SS..G310 helixtrans-59.4-37-174.155.3-2.5000113.4L89 R90 S91 Q92D87-L89 PolarHBondContact O-N 2.68Å; D87-R90 CarbonylContact O-C 3.45Å; D87-R90 WeakPolarHBondContact O-CA 3.47Å; D87-R90 PolarHBondContact O-N 3.48Å; D87-S91 PolarHBondContact O-N 3.21Å; D87-Q92 HydrophobicContact CB-CB 4.34Å; D87-Q92 HydrophobicContact CB-CG 4.15Å; D87-Q92 PolarHBondContact O-N 2.9Å; D87-Q92 VanDerWaalsContact OD2-CD 3.29Å; D87-Q92 PolarHBondContact OD2-NE2 2.89Å
88I93.4Very high95Very high20 Ų2053.3 Ų53.310%0.10331%0.308CS..G310 helixtrans-65.3-17.7176.966161.9000112.5L86 R90 Q92 W93 L97 V102 S105L86-I88 VanDerWaalsContact C-N 3.3Å; L86-I88 HydrophobicContact CD2-CD1 3.83Å; L86-I88 HydrophobicContact CD2-CG1 3.52Å; L86-I88 HydrophobicContact CG-CD1 4.49Å; L86-I88 HydrophobicContact CG-CG1 3.71Å; L86-I88 PolarHBondContact O-N 3.39Å; I88-R90 VanDerWaalsContact C-N 3.31Å; I88-Q92 HydrophobicContact CG2-CB 4.37Å; I88-W93 VanDerWaalsContact O-CA 3.25Å; I88-W93 WeakPolarHBondContact O-CA 3.36Å; I88-W93 WeakPolarHBondContact O-CB 3.41Å; I88-W93 VanDerWaalsContact O-CE3 3.29Å; I88-W93 PolarHBondContact O-N 2.84Å; I88-L97 HydrophobicContact CB-CD1 3.83Å; I88-L97 HydrophobicContact CG2-CD1 4.23Å; I88-V102 HydrophobicContact CD1-CG2 4.1Å; I88-S105 WeakPolarHBondContact CD1-OG 3.46Å
89L92.6Very high94.9Very high22 Ų2253.2 Ų53.212%0.11531%0.308CS..G310 helixtrans-89.21.5172.1-61.6179.3000112.8P64 L67 I84 L86 D87 V102P64-L89 WeakPolarHBondContact CG-O 3.31Å; L67-L89 HydrophobicContact CB-CD1 4.35Å; L67-L89 HydrophobicContact CD1-CD1 4.44Å; L67-L89 HydrophobicContact CD1-CD2 3.8Å; I84-L89 HydrophobicContact CB-CD1 4.48Å; L86-L89 HydrophobicContact CB-CD1 4.22Å; L86-L89 HydrophobicContact CB-CG 4.33Å; L86-L89 HydrophobicContact CD2-CD1 4.45Å; L86-L89 HydrophobicContact CD2-CG 4.37Å; L86-L89 WeakPolarHBondContact O-CB 3.39Å; L86-L89 PolarHBondContact O-N 2.84Å; D87-L89 PolarHBondContact O-N 2.68Å; L89-V102 HydrophobicContact CD2-CG1 3.77Å; L89-V102 HydrophobicContact CD2-CG2 4.26Å
90R90.4Very high94.9Very high143 Ų14352.6 Ų52.654%0.5431%0.307SS..THydrogen-bonded Turntrans-134.1-107.2-174.9-60.5-177.4-177-174.24110.7D87 I88D87-R90 CarbonylContact O-C 3.45Å; D87-R90 WeakPolarHBondContact O-CA 3.47Å; D87-R90 PolarHBondContact O-N 3.48Å; I88-R90 VanDerWaalsContact C-N 3.31Å
91S91.9Very high94.9Very high109 Ų10952.8 Ų52.876%0.76229%0.294SS*.THydrogen-bonded Turntrans-74.3-25.9-17249.60000113.4D87D87-S91 PolarHBondContact O-N 3.21Å
92Q95.3Very high95Very high117 Ų11746.7 Ų46.755%0.54726%0.261SS..THydrogen-bonded Turntrans-99.611.8179.9-63.7-167.842.700113.1D87 I88 S94D87-Q92 HydrophobicContact CB-CB 4.34Å; D87-Q92 HydrophobicContact CB-CG 4.15Å; D87-Q92 PolarHBondContact O-N 2.9Å; D87-Q92 VanDerWaalsContact OD2-CD 3.29Å; D87-Q92 PolarHBondContact OD2-NE2 2.89Å; I88-Q92 HydrophobicContact CG2-CB 4.37Å; Q92-S94 PolarHBondContact O-N 2.87Å
93W97.4Very high95Very high29 Ų2946.4 Ų46.411%0.1126%0.259CS..  trans-61130.2172.9176.9-102.1000110.3Y60 P61 P64 P65 I88 L97 V102Y60-W93 HydrophobicContact CD2-CZ2 4.27Å; Y60-W93 AromaticContact CE2-CH2 3.7Å; Y60-W93 HydrophobicContact CE2-CH2 3.7Å; Y60-W93 AromaticContact CE2-CZ2 3.53Å; Y60-W93 HydrophobicContact CE2-CZ2 3.53Å; P61-W93 HydrophobicContact CB-CZ2 4.47Å; P61-W93 PolarHBondContact O-NE1 2.97Å; P64-W93 HydrophobicContact CB-CB 4Å; P64-W93 HydrophobicContact CB-CD2 3.53Å; P64-W93 HydrophobicContact CB-CE3 3.75Å; P64-W93 HydrophobicContact CB-CG 3.62Å; P64-W93 HydrophobicContact CB-CZ3 4.48Å; P64-W93 HydrophobicContact CG-CB 4.16Å; P64-W93 HydrophobicContact CG-CD2 4.47Å; P64-W93 HydrophobicContact CG-CG 4.06Å; P65-W93 HydrophobicContact CG-CH2 4.35Å; P65-W93 HydrophobicContact CG-CZ3 4.4Å; I88-W93 VanDerWaalsContact O-CA 3.25Å; I88-W93 WeakPolarHBondContact O-CA 3.36Å; I88-W93 WeakPolarHBondContact O-CB 3.41Å; I88-W93 VanDerWaalsContact O-CE3 3.29Å; I88-W93 PolarHBondContact O-N 2.84Å; W93-L97 HydrophobicContact CE3-CB 4.2Å; W93-L97 HydrophobicContact CE3-CD1 3.91Å; W93-L97 HydrophobicContact CH2-CB 4.08Å; W93-L97 HydrophobicContact CZ3-CB 3.78Å; W93-L97 HydrophobicContact CZ3-CD1 4.23Å; W93-V102 HydrophobicContact CZ3-CG2 3.95Å
94S97.2Very high94.9Very high53 Ų5348.1 Ų48.137%0.37126%0.264SS..  trans-125.6139.3172.3171.70000109.3Q92 A96 L97Q92-S94 PolarHBondContact O-N 2.87Å; S94-A96 PolarHBondContact O-N 2.85Å; S94-A96 PolarHBondContact OG-N 3.12Å; S94-L97 WeakPolarHBondContact O-CB 3.33Å; S94-L97 PolarHBondContact O-N 3.17Å
95P96.6Very high94.8Very high53 Ų5349.8 Ų49.834%0.34428%0.276SS..THydrogen-bonded Turntrans-55.6-15.2172.4-27.636000114.8R5 P61 F62R5-P95 PolarHBondContact NH1-O 2.84Å; R5-P95 PolarHBondContact NH2-O 2.13Å; R5-P95 VanDerWaalsContact NH2-O 3.15Å; P61-P95 HydrophobicContact CB-CB 4.24Å; P61-P95 HydrophobicContact CG-CB 4.06Å; P61-P95 WeakPolarHBondContact O-CA 3.27Å; F62-P95 HydrophobicContact CD1-CG 4.2Å
96A96.3Very high95Very high69 Ų6949.4 Ų49.457%0.5727%0.273SS*.THydrogen-bonded Turntrans-80.9-12.3174.500000114.1S94S94-A96 PolarHBondContact O-N 2.85Å; S94-A96 PolarHBondContact OG-N 3.12Å
97L97.1Very high95.1Very high32 Ų3248.8 Ų48.817%0.16827%0.271CS..  trans-75.5146.5172.8-65.1175.4000110.4R5 I88 W93 S94 K101R5-L97 PolarHBondContact NH2-O 2.84Å; I88-L97 HydrophobicContact CB-CD1 3.83Å; I88-L97 HydrophobicContact CG2-CD1 4.23Å; W93-L97 HydrophobicContact CE3-CB 4.2Å; W93-L97 HydrophobicContact CE3-CD1 3.91Å; W93-L97 HydrophobicContact CH2-CB 4.08Å; W93-L97 HydrophobicContact CZ3-CB 3.78Å; W93-L97 HydrophobicContact CZ3-CD1 4.23Å; S94-L97 WeakPolarHBondContact O-CB 3.33Å; S94-L97 PolarHBondContact O-N 3.17Å; L97-K101 HydrophobicContact CD2-CD 4.21Å
98T96.4Very high95.3Very high36 Ų3649.2 Ų49.222%0.22128%0.279CS..  trans-120.2162.8178.4610000109.8E9 S100 K101 V102E9-T98 HydrophobicContact CG-CG2 4.33Å; E9-T98 WeakPolarHBondContact OE2-CA 3.4Å; E9-T98 VanDerWaalsContact OE2-CB 3.28Å; E9-T98 WeakPolarHBondContact OE2-CB 3.41Å; T98-S100 VanDerWaalsContact C-N 3.25Å; T98-S100 PolarHBondContact O-N 2.83Å; T98-K101 PolarHBondContact O-N 3.48Å; T98-K101 VanDerWaalsContact O-N 3.11Å; T98-K101 PolarHBondContact OG1-N 2.85Å; T98-V102 WeakPolarHBondContact O-CG2 3.43Å; T98-V102 PolarHBondContact O-N 2.83Å
99I96.5Very high95.4Very high0 Ų049 Ų490%028%0.278CS..Hα-helixtrans-57-40.5173.7-65.3-56.4000111.4E9 L13 A23 W33 I54 F56 P65 K101 V102 L103E9-I99 PolarHBondContact OE2-N 3.11Å; L13-I99 HydrophobicContact CD1-CB 4.37Å; L13-I99 HydrophobicContact CD1-CG2 4.19Å; A23-I99 HydrophobicContact CB-CG2 4.4Å; W33-I99 HydrophobicContact CE3-CG2 4.39Å; W33-I99 HydrophobicContact CZ3-CB 4.41Å; W33-I99 HydrophobicContact CZ3-CG1 4.35Å; W33-I99 HydrophobicContact CZ3-CG2 4.19Å; I54-I99 HydrophobicContact CD1-CG2 3.93Å; I54-I99 HydrophobicContact CG2-CD1 4.03Å; F56-I99 HydrophobicContact CE1-CD1 3.62Å; F56-I99 HydrophobicContact CE1-CG1 3.62Å; F56-I99 HydrophobicContact CZ-CD1 3.81Å; F56-I99 HydrophobicContact CZ-CG1 3.6Å; P65-I99 HydrophobicContact CB-CD1 4.23Å; P65-I99 HydrophobicContact CG-CD1 3.68Å; I99-K101 VanDerWaalsContact C-N 3.33Å; I99-K101 PolarHBondContact O-N 3.31Å; I99-V102 PolarHBondContact O-N 2.79Å; I99-L103 HydrophobicContact CG2-CD1 3.86Å; I99-L103 HydrophobicContact CG2-CG 4.12Å; I99-L103 WeakPolarHBondContact O-CG 3.04Å; I99-L103 PolarHBondContact O-N 3.4Å
100S95.1Very high95.6Very high29 Ų2948 Ų4820%0.20327%0.273CS..Hα-helixtrans-55.1-48.7174.4-179.80000111.6T98 V102 L103 L104T98-S100 VanDerWaalsContact C-N 3.25Å; T98-S100 PolarHBondContact O-N 2.83Å; S100-V102 PolarHBondContact O-N 3.45Å; S100-L103 PolarHBondContact O-N 3.06Å; S100-L104 VanDerWaalsContact O-CG 3.31Å; S100-L104 WeakPolarHBondContact O-CG 3.48Å; S100-L104 PolarHBondContact O-N 3.33Å
101K95.2Very high95.8Very high109 Ų10944.8 Ų44.847%0.47427%0.271SS..Hα-helixtrans-63.8-40.9176.9-70.1178.4178.8-179.40112.5L97 T98 I99 L104 S105L97-K101 HydrophobicContact CD2-CD 4.21Å; T98-K101 PolarHBondContact O-N 3.48Å; T98-K101 VanDerWaalsContact O-N 3.11Å; T98-K101 PolarHBondContact OG1-N 2.85Å; I99-K101 VanDerWaalsContact C-N 3.33Å; I99-K101 PolarHBondContact O-N 3.31Å; K101-L104 PolarHBondContact O-N 2.86Å; K101-S105 PolarHBondContact O-N 3.03Å; K101-S105 PolarHBondContact O-OG 3.06Å; K101-S105 VanDerWaalsContact O-OG 3.12Å
102V96.6Very high96Very high0 Ų045 Ų450%026%0.264CS..Hα-helixtrans-61.2-47176.8169.70000111.1L67 I88 L89 W93 T98 I99 S100 S105 I106L67-V102 HydrophobicContact CD1-CG1 4.12Å; L67-V102 HydrophobicContact CD2-CG1 3.69Å; I88-V102 HydrophobicContact CD1-CG2 4.1Å; L89-V102 HydrophobicContact CD2-CG1 3.77Å; L89-V102 HydrophobicContact CD2-CG2 4.26Å; W93-V102 HydrophobicContact CZ3-CG2 3.95Å; T98-V102 WeakPolarHBondContact O-CG2 3.43Å; T98-V102 PolarHBondContact O-N 2.83Å; I99-V102 PolarHBondContact O-N 2.79Å; S100-V102 PolarHBondContact O-N 3.45Å; V102-S105 PolarHBondContact O-N 2.94Å; V102-I106 HydrophobicContact CG1-CD1 4.06Å; V102-I106 WeakPolarHBondContact O-CG1 3.45Å; V102-I106 PolarHBondContact O-N 3.11Å
103L96.6Very high96.1Very high0 Ų039.7 Ų39.70%024%0.239CC..Hα-helixtrans-63.1-43178-67.8173.9000110.9C21 A23 A35 I37 L67 I99 S100 S105 I106 C107C21-L103 HydrophobicContact CB-CB 4.02Å; C21-L103 HydrophobicContact CB-CD1 4.49Å; A23-L103 HydrophobicContact CB-CD1 3.84Å; A35-L103 HydrophobicContact CB-CD1 4.26Å; A35-L103 HydrophobicContact CB-CD2 3.8Å; I37-L103 HydrophobicContact CD1-CD2 4.26Å; L67-L103 HydrophobicContact CD2-CD2 4.49Å; I99-L103 HydrophobicContact CG2-CD1 3.86Å; I99-L103 HydrophobicContact CG2-CG 4.12Å; I99-L103 WeakPolarHBondContact O-CG 3.04Å; I99-L103 PolarHBondContact O-N 3.4Å; S100-L103 PolarHBondContact O-N 3.06Å; L103-S105 VanDerWaalsContact C-N 3.32Å; L103-S105 PolarHBondContact O-N 2.92Å; L103-I106 PolarHBondContact O-N 3.15Å; L103-I106 VanDerWaalsContact O-N 3.15Å; L103-C107 WeakPolarHBondContact O-CB 3.36Å; L103-C107 PolarHBondContact O-N 2.75Å; L103-C107 PolarHBondContact O-SG 3.44Å
104L94.7Very high95.9Very high86 Ų8641.6 Ų41.645%0.4525%0.252SS..Hα-helixtrans-60.1-40.8174.3-72.2173.3000112.4P18 S100 K101 I106 C107 S108P18-L104 HydrophobicContact CB-CD2 3.94Å; P18-L104 HydrophobicContact CB-CG 4.37Å; S100-L104 VanDerWaalsContact O-CG 3.31Å; S100-L104 WeakPolarHBondContact O-CG 3.48Å; S100-L104 PolarHBondContact O-N 3.33Å; K101-L104 PolarHBondContact O-N 2.86Å; L104-I106 VanDerWaalsContact C-N 3.34Å; L104-I106 PolarHBondContact O-N 3.35Å; L104-C107 PolarHBondContact O-N 3.13Å; L104-S108 WeakPolarHBondContact O-CB 3.26Å; L104-S108 PolarHBondContact O-N 3.23Å
105S95.8Very high95.8Very high44 Ų4440.1 Ų40.131%0.30824%0.241SC..Hα-helixtrans-64.9-36.2174.7-64.30000112.5I88 K101 V102 L103 S108 L109I88-S105 WeakPolarHBondContact CD1-OG 3.46Å; K101-S105 PolarHBondContact O-N 3.03Å; K101-S105 PolarHBondContact O-OG 3.06Å; K101-S105 VanDerWaalsContact O-OG 3.12Å; V102-S105 PolarHBondContact O-N 2.94Å; L103-S105 VanDerWaalsContact C-N 3.32Å; L103-S105 PolarHBondContact O-N 2.92Å; S105-S108 PolarHBondContact O-N 2.95Å; S105-L109 WeakPolarHBondContact O-CB 3.39Å; S105-L109 PolarHBondContact O-N 2.85Å
106I96.5Very high95.7Very high0 Ų043.8 Ų43.80%026%0.258CS..Hα-helixtrans-68.8-44.5172.8-64.3164.2000110.4I37 L52 L67 F69 I84 L86 V102 L103 L104 S108 L109 L110I37-I106 HydrophobicContact CD1-CB 4.03Å; I37-I106 HydrophobicContact CD1-CG2 3.56Å; L52-I106 HydrophobicContact CD2-CD1 4.09Å; L67-I106 HydrophobicContact CD2-CD1 3.78Å; F69-I106 HydrophobicContact CE2-CG2 3.91Å; F69-I106 HydrophobicContact CZ-CG2 3.74Å; I84-I106 HydrophobicContact CD1-CD1 3.8Å; I84-I106 HydrophobicContact CD1-CG1 4.34Å; L86-I106 HydrophobicContact CD2-CG1 4.08Å; V102-I106 HydrophobicContact CG1-CD1 4.06Å; V102-I106 WeakPolarHBondContact O-CG1 3.45Å; V102-I106 PolarHBondContact O-N 3.11Å; L103-I106 PolarHBondContact O-N 3.15Å; L103-I106 VanDerWaalsContact O-N 3.15Å; L104-I106 VanDerWaalsContact C-N 3.34Å; L104-I106 PolarHBondContact O-N 3.35Å; I106-S108 PolarHBondContact O-N 3.35Å; I106-L109 WeakPolarHBondContact O-CB 3.33Å; I106-L109 PolarHBondContact O-N 3.06Å; I106-L110 WeakPolarHBondContact O-CG 3.44Å; I106-L110 PolarHBondContact O-N 3.31Å
107C95.2Very high95.5Very high9 Ų944.6 Ų44.66%0.06125%0.253CS..Hα-helixtrans-57.7-39.1176-61.90000109.3C21 I37 L103 L104 L110C21-C107 WeakPolarHBondContact CB-SG 3.49Å; C21-C107 WeakPolarHBondContact SG-CB 3.34Å; C21-C107 CovalentContact SG-SG 2.13Å; C21-C107 PolarHBondContact SG-SG 3.4Å; I37-C107 WeakPolarHBondContact CG2-SG 3.43Å; L103-C107 WeakPolarHBondContact O-CB 3.36Å; L103-C107 PolarHBondContact O-N 2.75Å; L103-C107 PolarHBondContact O-SG 3.44Å; L104-C107 PolarHBondContact O-N 3.13Å; C107-L110 PolarHBondContact O-N 2.96Å
108S94.8Very high95.4Very high74 Ų7445 Ų4552%0.51726%0.257SS..Hα-helixtrans-67.3-39.8171.8-1710000113.9L104 S105 I106 L110 C111 D112L104-S108 WeakPolarHBondContact O-CB 3.26Å; L104-S108 PolarHBondContact O-N 3.23Å; S105-S108 PolarHBondContact O-N 2.95Å; I106-S108 PolarHBondContact O-N 3.35Å; S108-L110 VanDerWaalsContact C-N 3.26Å; S108-L110 PolarHBondContact O-N 2.95Å; S108-C111 WeakPolarHBondContact O-CB 3.36Å; S108-C111 PolarHBondContact O-N 3.39Å; S108-C111 VanDerWaalsContact O-N 3.11Å; S108-D112 PolarHBondContact O-N 3.17Å
109L96Very high95.4Very high15 Ų1545.9 Ų45.98%0.07926%0.26CS..Hα-helixtrans-62.9-33.4177.8-178.565.9000111.8H75 N77 I84 L86 S105 I106 C111 D112 P113H75-L109 PolarHBondContact NE2-O 3.46Å; N77-L109 HydrophobicContact CB-CD1 4.3Å; N77-L109 HydrophobicContact CB-CD2 4.05Å; I84-L109 HydrophobicContact CG2-CD2 4.12Å; L86-L109 HydrophobicContact CD1-CD2 4.38Å; S105-L109 WeakPolarHBondContact O-CB 3.39Å; S105-L109 PolarHBondContact O-N 2.85Å; I106-L109 WeakPolarHBondContact O-CB 3.33Å; I106-L109 PolarHBondContact O-N 3.06Å; L109-C111 VanDerWaalsContact C-N 3.32Å; L109-D112 CarbonylContact O-C 3.51Å; L109-D112 VanDerWaalsContact O-C 3.25Å; L109-P113 WeakPolarHBondContact O-CA 3.31Å
110L96.8Very high95.4Very high2 Ų247.6 Ų47.61%0.0127%0.27CS..Hα-helixtrans-66.9-32.5173.9-64.7-174.5000112.7I37 P40 Y45 I73 I78 I106 C107 S108I37-L110 HydrophobicContact CG2-CD1 3.97Å; P40-L110 HydrophobicContact CG-CB 4.16Å; Y45-L110 HydrophobicContact CD2-CB 4.01Å; Y45-L110 HydrophobicContact CD2-CD2 4.46Å; Y45-L110 HydrophobicContact CE2-CB 4.25Å; Y45-L110 HydrophobicContact CE2-CD2 4.31Å; Y45-L110 VanDerWaalsContact CE2-O 3.27Å; Y45-L110 WeakPolarHBondContact CE2-O 3.48Å; I73-L110 HydrophobicContact CD1-CD2 3.49Å; I73-L110 VanDerWaalsContact CD1-CD2 3.49Å; I78-L110 HydrophobicContact CD1-CD2 4.08Å; I106-L110 WeakPolarHBondContact O-CG 3.44Å; I106-L110 PolarHBondContact O-N 3.31Å; C107-L110 PolarHBondContact O-N 2.96Å; S108-L110 VanDerWaalsContact C-N 3.26Å; S108-L110 PolarHBondContact O-N 2.95Å
111C94.9Very high95.5Very high74 Ų7450.6 Ų50.650%0.529%0.289SS..Hα-helixtrans-75.6-42.2175-63.40000111.9P40 S108 L109P40-C111 WeakPolarHBondContact CB-SG 3.45Å; P40-C111 VanDerWaalsContact CG-SG 3.55Å; S108-C111 WeakPolarHBondContact O-CB 3.36Å; S108-C111 PolarHBondContact O-N 3.39Å; S108-C111 VanDerWaalsContact O-N 3.11Å; L109-C111 VanDerWaalsContact C-N 3.32Å
112D95.3Very high95.6Very high114 Ų11450 Ų5061%0.6129%0.288SS*.SBendtrans-129.786.7-176.8-169.226.4000110.7S108 L109S108-D112 PolarHBondContact O-N 3.17Å; L109-D112 CarbonylContact O-C 3.51Å; L109-D112 VanDerWaalsContact O-C 3.25Å
113P96.3Very high95.7Very high5 Ų550.8 Ų50.83%0.03229%0.292CS..  trans-62149.4177.5-19.929.9000112P76 L109 P115 Y127 Y134P76-P113 HydrophobicContact CG-CB 3.47Å; P76-P113 VanDerWaalsContact CG-CB 3.47Å; P76-P113 HydrophobicContact CG-CG 4.44Å; L109-P113 WeakPolarHBondContact O-CA 3.31Å; P113-P115 WeakPolarHBondContact O-CD 3.49Å; P113-Y127 HydrophobicContact CB-CE1 4.43Å; P113-Y127 HydrophobicContact CG-CE2 4.01Å; P113-Y134 WeakPolarHBondContact CG-OH 3.28Å
114N95.2Very high95.8Very high70 Ų7051 Ų5137%0.37429%0.294SS..  trans-101.193.3176.1-179.4-4.4000111.1N77 D116 D117N77-N114 PolarHBondContact ND2-O 3.49Å; N77-N114 PolarHBondContact OD1-N 3.38Å; N77-N114 PolarHBondContact OD1-O 3.49Å; N114-D116 PolarHBondContact O-N 3.15Å; N114-D116 PolarHBondContact OD1-N 3.42Å; N114-D117 PolarHBondContact OD1-N 2.9Å
115P94.8Very high96Very high22 Ų2252.7 Ų52.714%0.14329%0.294CS..THydrogen-bonded Turntrans-77.9-2.5-178.635.2-41.1000114.5P113 A124 Y127 K128P113-P115 WeakPolarHBondContact O-CD 3.49Å; P115-A124 HydrophobicContact CB-CB 4.18Å; P115-Y127 HydrophobicContact CB-CD1 3.86Å; P115-Y127 HydrophobicContact CB-CE1 4.47Å; P115-Y127 HydrophobicContact CG-CD1 3.84Å; P115-Y127 HydrophobicContact CG-CE1 3.98Å; P115-K128 HydrophobicContact CB-CD 3.86Å; P115-K128 HydrophobicContact CB-CG 3.78Å; P115-K128 HydrophobicContact CG-CD 4.28Å; P115-K128 HydrophobicContact CG-CG 4.01Å; P115-K128 PolarHBondContact O-NZ 3.37Å
116D93.9Very high96.1Very high130 Ų13051.1 Ų51.170%0.69528%0.282SS*.THydrogen-bonded Turntrans-88.3-22.8177.3-65.1-38.4000112.7N114 P118 K128N114-D116 PolarHBondContact O-N 3.15Å; N114-D116 PolarHBondContact OD1-N 3.42Å; D116-P118 VanDerWaalsContact C-CD 3.41Å; D116-K128 WeakPolarHBondContact OD1-CE 3.42Å; D116-K128 IonicContact OD1-NZ 3.61Å; D116-K128 PolarHBondContact OD1-NZ 3.37Å
117D92.2Very high96.1Very high86 Ų8653.4 Ų53.446%0.4629%0.291SS..SBendtrans-123.964.9171.1-173.434.1000112.2N77 C85 N114N77-D117 PolarHBondContact ND2-O 2.84Å; C85-D117 PolarHBondContact SG-OD2 2.98Å; N114-D117 PolarHBondContact OD1-N 2.9Å
118P94.9Very high96.3Very high41 Ų4158.2 Ų58.227%0.26631%0.311SS..  trans-83144.6-173.235-36.6000113.1D116 A124D116-P118 VanDerWaalsContact C-CD 3.41Å; P118-A124 HydrophobicContact CB-CB 3.43Å; P118-A124 VanDerWaalsContact CB-CB 3.43Å; P118-A124 HydrophobicContact CG-CB 3.9Å
119L95.6Very high96.4Very high53 Ų5359.6 Ų59.628%0.27732%0.316SS..SBendtrans-82.8-26.6162.1-76.2-178.4000112.6P76 N77 N79 S83 C85P76-L119 PolarHBondContact O-N 3.24Å; N77-L119 WeakPolarHBondContact O-CD1 3.11Å; N79-L119 HydrophobicContact CB-CB 4.39Å; S83-L119 WeakPolarHBondContact O-CD1 3.47Å; C85-L119 HydrophobicContact CB-CD1 3.79Å; C85-L119 HydrophobicContact CB-CD2 3.96Å; C85-L119 HydrophobicContact CB-CG 3.52Å
120V97.6Very high96.5Very high36 Ų3662 Ų6222%0.21833%0.329CS..SBendtrans-122.888.6-179.6-166.70000108.2P76 N79 E122 I123 A124P76-V120 PolarHBondContact O-N 3.12Å; N79-V120 HydrophobicContact CB-CG2 4.14Å; V120-E122 PolarHBondContact O-N 2.91Å; V120-E122 VanDerWaalsContact O-N 3.13Å; V120-I123 HydrophobicContact CB-CB 4.24Å; V120-I123 HydrophobicContact CB-CD1 4Å; V120-I123 HydrophobicContact CB-CG1 4.11Å; V120-I123 HydrophobicContact CG1-CB 4.18Å; V120-I123 HydrophobicContact CG1-CD1 3.72Å; V120-I123 HydrophobicContact CG1-CG1 3.62Å; V120-I123 HydrophobicContact CG2-CD1 4.38Å; V120-I123 PolarHBondContact O-N 3.22Å; V120-I123 VanDerWaalsContact O-N 3.09Å; V120-A124 PolarHBondContact O-N 3Å; V120-A124 VanDerWaalsContact O-N 3.12Å
121P97.6Very high96.5Very high92 Ų9265.1 Ų65.160%0.59735%0.349SS*.Hα-helixtrans-55.2-34-174.6-28.835.7000113.8A124 R125P121-A124 PolarHBondContact O-N 3.39Å; P121-R125 WeakPolarHBondContact O-CB 3.35Å; P121-R125 PolarHBondContact O-N 2.96Å
122E97.7Very high96.6Very high98 Ų9869.4 Ų69.446%0.45836%0.361SS..Hα-helixtrans-67.8-41.6179.4-179.357.8-170.200112.6V120 A124 R125 I126V120-E122 PolarHBondContact O-N 2.91Å; V120-E122 VanDerWaalsContact O-N 3.13Å; E122-A124 VanDerWaalsContact C-N 3.32Å; E122-R125 PolarHBondContact O-N 3.19Å; E122-R125 IonicContact OE1-CZ 2.71Å; E122-R125 IonicContact OE1-NE 2.69Å; E122-R125 IonicContact OE1-NH2 2.67Å; E122-R125 PolarHBondContact OE1-NH2 3.35Å; E122-R125 IonicContact OE2-CZ 3.7Å; E122-R125 IonicContact OE2-NE 3.11Å; E122-R125 PolarHBondContact OE2-NE 2.88Å; E122-R125 IonicContact OE2-NH2 2.68Å; E122-R125 PolarHBondContact OE2-NH2 2.98Å; E122-I126 HydrophobicContact CG-CD1 4.33Å; E122-I126 WeakPolarHBondContact O-CG1 3.43Å; E122-I126 PolarHBondContact O-N 3.04Å
123I98.3Very high96.8Very high16 Ų1668 Ų688%0.08235%0.35CS..Hα-helixtrans-66.3-40.4175.8-60.4179.6000109.6Y74 P76 V120 R125 I126 Y127 Y134Y74-I123 HydrophobicContact CD1-CD1 4.5Å; Y74-I123 HydrophobicContact CD1-CG2 4.11Å; Y74-I123 HydrophobicContact CD2-CD1 3.74Å; Y74-I123 HydrophobicContact CD2-CG1 4.27Å; Y74-I123 HydrophobicContact CE1-CD1 4.46Å; Y74-I123 HydrophobicContact CE1-CG1 4.26Å; Y74-I123 HydrophobicContact CE1-CG2 3.67Å; Y74-I123 HydrophobicContact CE2-CD1 3.68Å; Y74-I123 HydrophobicContact CE2-CG1 3.68Å; Y74-I123 HydrophobicContact CG-CD1 4.16Å; P76-I123 HydrophobicContact CB-CB 4.38Å; P76-I123 HydrophobicContact CB-CG2 4.1Å; V120-I123 HydrophobicContact CB-CB 4.24Å; V120-I123 HydrophobicContact CB-CD1 4Å; V120-I123 HydrophobicContact CB-CG1 4.11Å; V120-I123 HydrophobicContact CG1-CB 4.18Å; V120-I123 HydrophobicContact CG1-CD1 3.72Å; V120-I123 HydrophobicContact CG1-CG1 3.62Å; V120-I123 HydrophobicContact CG2-CD1 4.38Å; V120-I123 PolarHBondContact O-N 3.22Å; V120-I123 VanDerWaalsContact O-N 3.09Å; I123-R125 VanDerWaalsContact C-N 3.35Å; I123-R125 PolarHBondContact O-N 3.39Å; I123-I126 PolarHBondContact O-N 2.93Å; I123-Y127 WeakPolarHBondContact O-CB 3.43Å; I123-Y127 PolarHBondContact O-N 3.32Å; I123-Y134 HydrophobicContact CG2-CD2 4.04Å; I123-Y134 HydrophobicContact CG2-CE2 3.89Å
124A97.9Very high96.9Very high4 Ų467.9 Ų67.93%0.03335%0.349CS..Hα-helixtrans-63.9-39.4177.600000112.6P76 P115 P118 V120 P121 E122 Y127 K128P76-A124 HydrophobicContact CB-CB 3.78Å; P115-A124 HydrophobicContact CB-CB 4.18Å; P118-A124 HydrophobicContact CB-CB 3.43Å; P118-A124 VanDerWaalsContact CB-CB 3.43Å; P118-A124 HydrophobicContact CG-CB 3.9Å; V120-A124 PolarHBondContact O-N 3Å; V120-A124 VanDerWaalsContact O-N 3.12Å; P121-A124 PolarHBondContact O-N 3.39Å; E122-A124 VanDerWaalsContact C-N 3.32Å; A124-Y127 PolarHBondContact O-N 3.34Å; A124-K128 WeakPolarHBondContact O-CB 3.49Å; A124-K128 WeakPolarHBondContact O-CG 3.42Å; A124-K128 PolarHBondContact O-N 3.49Å
125R98.1Very high97Very high122 Ų12267 Ų6746%0.4634%0.344SS..Hα-helixtrans-60.4-49173.1-171.3-171.968.876.4-1.3110.5P121 E122 I123 Y127 K128 T129P121-R125 WeakPolarHBondContact O-CB 3.35Å; P121-R125 PolarHBondContact O-N 2.96Å; E122-R125 PolarHBondContact O-N 3.19Å; E122-R125 IonicContact OE1-CZ 2.71Å; E122-R125 IonicContact OE1-NE 2.69Å; E122-R125 IonicContact OE1-NH2 2.67Å; E122-R125 PolarHBondContact OE1-NH2 3.35Å; E122-R125 IonicContact OE2-CZ 3.7Å; E122-R125 IonicContact OE2-NE 3.11Å; E122-R125 PolarHBondContact OE2-NE 2.88Å; E122-R125 IonicContact OE2-NH2 2.68Å; E122-R125 PolarHBondContact OE2-NH2 2.98Å; I123-R125 VanDerWaalsContact C-N 3.35Å; I123-R125 PolarHBondContact O-N 3.39Å; R125-Y127 PolarHBondContact O-N 2.91Å; R125-K128 PolarHBondContact O-N 3.17Å; R125-T129 WeakPolarHBondContact O-CG2 3.44Å; R125-T129 PolarHBondContact O-N 2.84Å; R125-T129 PolarHBondContact O-OG1 2.96Å
126I98.2Very high97.2Very high10 Ų1071.4 Ų71.45%0.05136%0.358CS..Hα-helixtrans-60.8-45.5177.8-65.2164.9000110.4Y74 E122 I123 K128 T129 D130 K133Y74-I126 WeakPolarHBondContact OH-CD1 3.25Å; E122-I126 HydrophobicContact CG-CD1 4.33Å; E122-I126 WeakPolarHBondContact O-CG1 3.43Å; E122-I126 PolarHBondContact O-N 3.04Å; I123-I126 PolarHBondContact O-N 2.93Å; I126-K128 VanDerWaalsContact C-N 3.29Å; I126-K128 PolarHBondContact O-N 3.01Å; I126-T129 PolarHBondContact O-N 3.01Å; I126-D130 CarbonylContact O-C 3.56Å; I126-D130 WeakPolarHBondContact O-CA 3.45Å; I126-D130 PolarHBondContact O-N 3.29Å; I126-D130 VanDerWaalsContact O-O 3.09Å; I126-K133 HydrophobicContact CG2-CB 4.29Å; I126-K133 HydrophobicContact CG2-CD 4.24Å; I126-K133 HydrophobicContact CG2-CG 4.15Å
127Y98Very high97.4Very high48 Ų4866.7 Ų66.719%0.18833%0.333CS..Hα-helixtrans-56-42.9176.6-178.7-105.8000112.6P113 P115 I123 A124 R125 T131 Y134P113-Y127 HydrophobicContact CB-CE1 4.43Å; P113-Y127 HydrophobicContact CG-CE2 4.01Å; P115-Y127 HydrophobicContact CB-CD1 3.86Å; P115-Y127 HydrophobicContact CB-CE1 4.47Å; P115-Y127 HydrophobicContact CG-CD1 3.84Å; P115-Y127 HydrophobicContact CG-CE1 3.98Å; I123-Y127 WeakPolarHBondContact O-CB 3.43Å; I123-Y127 PolarHBondContact O-N 3.32Å; A124-Y127 PolarHBondContact O-N 3.34Å; R125-Y127 PolarHBondContact O-N 2.91Å; Y127-T131 PolarHBondContact O-OG1 2.91Å; Y127-Y134 AromaticContact CD2-CD1 3.55Å; Y127-Y134 HydrophobicContact CD2-CD1 3.55Å; Y127-Y134 HydrophobicContact CD2-CD2 4.04Å; Y127-Y134 AromaticContact CD2-CE1 3.61Å; Y127-Y134 HydrophobicContact CD2-CE1 3.61Å; Y127-Y134 HydrophobicContact CD2-CE2 4.13Å; Y127-Y134 AromaticContact CD2-CG 3.75Å; Y127-Y134 HydrophobicContact CD2-CG 3.75Å; Y127-Y134 AromaticContact CD2-CZ 3.89Å; Y127-Y134 HydrophobicContact CE2-CD1 4.08Å; Y127-Y134 AromaticContact CE2-CE1 3.88Å; Y127-Y134 HydrophobicContact CE2-CE1 3.88Å
128K97.5Very high97.7Very high111 Ų11162.6 Ų62.648%0.48331%0.311SS..Hα-helixtrans-71.8-34.6179.7-80.9174.7158.91620113.8P115 D116 A124 R125 I126P115-K128 HydrophobicContact CB-CD 3.86Å; P115-K128 HydrophobicContact CB-CG 3.78Å; P115-K128 HydrophobicContact CG-CD 4.28Å; P115-K128 HydrophobicContact CG-CG 4.01Å; P115-K128 PolarHBondContact O-NZ 3.37Å; D116-K128 WeakPolarHBondContact OD1-CE 3.42Å; D116-K128 IonicContact OD1-NZ 3.61Å; D116-K128 PolarHBondContact OD1-NZ 3.37Å; A124-K128 WeakPolarHBondContact O-CB 3.49Å; A124-K128 WeakPolarHBondContact O-CG 3.42Å; A124-K128 PolarHBondContact O-N 3.49Å; R125-K128 PolarHBondContact O-N 3.17Å; I126-K128 VanDerWaalsContact C-N 3.29Å; I126-K128 PolarHBondContact O-N 3.01Å
129T97.9Very high97.9Very high102 Ų10267.4 Ų67.463%0.62632%0.324SS*.Hα-helixtrans-102.1-26.1-171.862.40000114.4R125 I126R125-T129 WeakPolarHBondContact O-CG2 3.44Å; R125-T129 PolarHBondContact O-N 2.84Å; R125-T129 PolarHBondContact O-OG1 2.96Å; I126-T129 PolarHBondContact O-N 3.01Å
130D97.8Very high98.1Very high66 Ų6669.2 Ų69.235%0.35333%0.33SS..  trans-154.177-171.2-172.8-13.1000110.2I126 E132 K133 Y134I126-D130 CarbonylContact O-C 3.56Å; I126-D130 WeakPolarHBondContact O-CA 3.45Å; I126-D130 PolarHBondContact O-N 3.29Å; I126-D130 VanDerWaalsContact O-O 3.09Å; D130-E132 VanDerWaalsContact C-N 3.25Å; D130-E132 PolarHBondContact O-N 2.87Å; D130-K133 HydrophobicContact CB-CB 4.1Å; D130-K133 PolarHBondContact O-N 3.36Å; D130-K133 VanDerWaalsContact OD1-CB 3.24Å; D130-K133 WeakPolarHBondContact OD1-CB 3.38Å; D130-K133 PolarHBondContact OD1-N 3.47Å; D130-K133 WeakPolarHBondContact OD2-CB 3.35Å; D130-Y134 PolarHBondContact O-N 2.99Å
131T96.4Very high98.1Very high68 Ų6871.2 Ų71.242%0.41733%0.334SS..Hα-helixtrans-64-30.4-178.3-45.50000112.1Y127 Y134 N135Y127-T131 PolarHBondContact O-OG1 2.91Å; T131-Y134 PolarHBondContact O-N 3.36Å; T131-N135 WeakPolarHBondContact O-CB 3.2Å; T131-N135 VanDerWaalsContact O-CG 3.29Å; T131-N135 PolarHBondContact O-N 2.89Å; T131-N135 PolarHBondContact O-ND2 2.72Å
132E98Very high98.2Very high164 Ų16467 Ų6777%0.76631%0.307SS*.Hα-helixtrans-64.9-46.5176.1-68-166.1158.200111.5D130 Y134 N135 R136D130-E132 VanDerWaalsContact C-N 3.25Å; D130-E132 PolarHBondContact O-N 2.87Å; E132-Y134 VanDerWaalsContact C-N 3.34Å; E132-N135 PolarHBondContact O-N 3.49Å; E132-R136 WeakPolarHBondContact O-CB 3.43Å; E132-R136 PolarHBondContact O-N 3.45Å
133K98.4Very high98.2Very high83 Ų8367.3 Ų67.336%0.36131%0.311SS..Hα-helixtrans-63.1-41174.6-178.7177.2179.8179.30111.8I126 D130 R136 L137I126-K133 HydrophobicContact CG2-CB 4.29Å; I126-K133 HydrophobicContact CG2-CD 4.24Å; I126-K133 HydrophobicContact CG2-CG 4.15Å; D130-K133 HydrophobicContact CB-CB 4.1Å; D130-K133 PolarHBondContact O-N 3.36Å; D130-K133 VanDerWaalsContact OD1-CB 3.24Å; D130-K133 WeakPolarHBondContact OD1-CB 3.38Å; D130-K133 PolarHBondContact OD1-N 3.47Å; D130-K133 WeakPolarHBondContact OD2-CB 3.35Å; K133-R136 PolarHBondContact O-N 2.71Å; K133-L137 HydrophobicContact CG-CD1 3.95Å; K133-L137 HydrophobicContact CG-CG 4.4Å; K133-L137 WeakPolarHBondContact O-CB 3.2Å; K133-L137 VanDerWaalsContact O-CG 3.3Å; K133-L137 WeakPolarHBondContact O-CG 3.48Å; K133-L137 PolarHBondContact O-N 2.67Å
134Y98.6Very high98.2Very high3 Ų373.6 Ų73.61%0.01234%0.338CS..Hα-helixtrans-56.5-52.6173168.6-95.8000111P44 Y45 Y74 P113 I123 Y127 D130 T131 E132 R136 L137 A138P44-Y134 HydrophobicContact CG-CE1 4.19Å; Y45-Y134 PolarHBondContact OH-OH 3.24Å; Y74-Y134 HydrophobicContact CD1-CD2 4.18Å; Y74-Y134 HydrophobicContact CD1-CE2 4.19Å; Y74-Y134 AromaticContact CE1-CD2 3.81Å; Y74-Y134 HydrophobicContact CE1-CD2 3.81Å; Y74-Y134 HydrophobicContact CE1-CE2 4.23Å; P113-Y134 WeakPolarHBondContact CG-OH 3.28Å; I123-Y134 HydrophobicContact CG2-CD2 4.04Å; I123-Y134 HydrophobicContact CG2-CE2 3.89Å; Y127-Y134 AromaticContact CD2-CD1 3.55Å; Y127-Y134 HydrophobicContact CD2-CD1 3.55Å; Y127-Y134 HydrophobicContact CD2-CD2 4.04Å; Y127-Y134 AromaticContact CD2-CE1 3.61Å; Y127-Y134 HydrophobicContact CD2-CE1 3.61Å; Y127-Y134 HydrophobicContact CD2-CE2 4.13Å; Y127-Y134 AromaticContact CD2-CG 3.75Å; Y127-Y134 HydrophobicContact CD2-CG 3.75Å; Y127-Y134 AromaticContact CD2-CZ 3.89Å; Y127-Y134 HydrophobicContact CE2-CD1 4.08Å; Y127-Y134 AromaticContact CE2-CE1 3.88Å; Y127-Y134 HydrophobicContact CE2-CE1 3.88Å; D130-Y134 PolarHBondContact O-N 2.99Å; T131-Y134 PolarHBondContact O-N 3.36Å; E132-Y134 VanDerWaalsContact C-N 3.34Å; Y134-R136 VanDerWaalsContact C-N 3.28Å; Y134-R136 PolarHBondContact O-N 2.85Å; Y134-L137 PolarHBondContact O-N 3.35Å; Y134-A138 WeakPolarHBondContact O-CB 3.44Å; Y134-A138 PolarHBondContact O-N 3.11Å
135N98.4Very high98.2Very high51 Ų5176.8 Ų76.827%0.27335%0.35SS..Hα-helixtrans-62.7-34.4-178.4-75.7-20.8000112.6P44 T131 E132 R139P44-N135 HydrophobicContact CB-CB 4.46Å; T131-N135 WeakPolarHBondContact O-CB 3.2Å; T131-N135 VanDerWaalsContact O-CG 3.29Å; T131-N135 PolarHBondContact O-N 2.89Å; T131-N135 PolarHBondContact O-ND2 2.72Å; E132-N135 PolarHBondContact O-N 3.49Å; N135-R139 WeakPolarHBondContact O-CB 3.31Å; N135-R139 WeakPolarHBondContact O-CG 3.44Å; N135-R139 PolarHBondContact O-N 2.94Å; N135-R139 VanDerWaalsContact O-N 3.15Å; N135-R139 PolarHBondContact O-NE 3.18Å; N135-R139 VanDerWaalsContact O-NE 3.15Å
136R98.6Very high98.1Very high115 Ų11571.1 Ų71.143%0.43433%0.329SS..Hα-helixtrans-67.8-49.6174.2-175.3178.357.774.20111.6E132 K133 Y134 A138 R139 E140E132-R136 WeakPolarHBondContact O-CB 3.43Å; E132-R136 PolarHBondContact O-N 3.45Å; K133-R136 PolarHBondContact O-N 2.71Å; Y134-R136 VanDerWaalsContact C-N 3.28Å; Y134-R136 PolarHBondContact O-N 2.85Å; R136-A138 PolarHBondContact O-N 3.36Å; R136-R139 PolarHBondContact O-N 2.75Å; R136-E140 WeakPolarHBondContact CG-OE1 3.33Å; R136-E140 IonicContact CZ-OE1 3.62Å; R136-E140 IonicContact NH1-OE1 2.72Å; R136-E140 PolarHBondContact NH1-OE1 3.3Å; R136-E140 IonicContact NH1-OE2 2.9Å; R136-E140 WeakPolarHBondContact O-CG 3.44Å; R136-E140 PolarHBondContact O-N 3.47Å
137L98.6Very high98Very high32 Ų3275.4 Ų75.417%0.16835%0.35CS..Hα-helixtrans-64.8-40.2-179.9-69.6172.5000112.2Y74 K133 Y134 E140 W141Y74-L137 HydrophobicContact CD1-CB 4.09Å; Y74-L137 HydrophobicContact CE1-CB 3.8Å; Y74-L137 HydrophobicContact CE1-CD1 4.25Å; Y74-L137 HydrophobicContact CE2-CB 4.45Å; Y74-L137 HydrophobicContact CE2-CD1 4.44Å; Y74-L137 WeakPolarHBondContact OH-CD1 3.3Å; K133-L137 HydrophobicContact CG-CD1 3.95Å; K133-L137 HydrophobicContact CG-CG 4.4Å; K133-L137 WeakPolarHBondContact O-CB 3.2Å; K133-L137 VanDerWaalsContact O-CG 3.3Å; K133-L137 WeakPolarHBondContact O-CG 3.48Å; K133-L137 PolarHBondContact O-N 2.67Å; Y134-L137 PolarHBondContact O-N 3.35Å; L137-E140 PolarHBondContact O-N 2.83Å; L137-W141 VanDerWaalsContact O-CD1 3.25Å; L137-W141 PolarHBondContact O-N 3.48Å
138A98.6Very high96.9Very high0 Ų082.6 Ų82.60%039%0.391CS..Hα-helixtrans-62.5-43.7175.600000111.4P44 Y45 Y74 Y134 R136 W141 T142P44-A138 HydrophobicContact CB-CB 3.57Å; P44-A138 HydrophobicContact CG-CB 3.67Å; Y45-A138 HydrophobicContact CE1-CB 4.04Å; Y74-A138 HydrophobicContact CD1-CB 4.13Å; Y134-A138 WeakPolarHBondContact O-CB 3.44Å; Y134-A138 PolarHBondContact O-N 3.11Å; R136-A138 PolarHBondContact O-N 3.36Å; A138-W141 PolarHBondContact O-N 2.69Å; A138-T142 PolarHBondContact O-N 2.74Å; A138-T142 PolarHBondContact O-OG1 3.23Å
139R98.6Very high96.9Very high142 Ų14281.2 Ų81.254%0.53639%0.386SS..Hα-helixtrans-60.4-47.1172.9-80.1-176.8-78.5-170.8-2.3112.7P44 N135 R136 W141 T142 D143P44-R139 HydrophobicContact CB-CG 3.82Å; P44-R139 WeakPolarHBondContact O-CA 3.47Å; P44-R139 WeakPolarHBondContact O-CG 3.34Å; N135-R139 WeakPolarHBondContact O-CB 3.31Å; N135-R139 WeakPolarHBondContact O-CG 3.44Å; N135-R139 PolarHBondContact O-N 2.94Å; N135-R139 VanDerWaalsContact O-N 3.15Å; N135-R139 PolarHBondContact O-NE 3.18Å; N135-R139 VanDerWaalsContact O-NE 3.15Å; R136-R139 PolarHBondContact O-N 2.75Å; R139-W141 PolarHBondContact O-N 3.08Å; R139-T142 WeakPolarHBondContact O-CB 3.06Å; R139-T142 PolarHBondContact O-N 3.43Å; R139-T142 VanDerWaalsContact O-N 3.1Å; R139-D143 PolarHBondContact O-N 3.11Å
140E98.5Very high96.8Very high90 Ų9080.1 Ų80.142%0.42137%0.373SS..Hα-helixtrans-57.8-36.6176.8-73.5169.8-166.800112.3R136 L137 K144R136-E140 WeakPolarHBondContact CG-OE1 3.33Å; R136-E140 IonicContact CZ-OE1 3.62Å; R136-E140 IonicContact NH1-OE1 2.72Å; R136-E140 PolarHBondContact NH1-OE1 3.3Å; R136-E140 IonicContact NH1-OE2 2.9Å; R136-E140 WeakPolarHBondContact O-CG 3.44Å; R136-E140 PolarHBondContact O-N 3.47Å; L137-E140 PolarHBondContact O-N 2.83Å; E140-K144 VanDerWaalsContact O-CB 3.24Å; E140-K144 WeakPolarHBondContact O-CB 3.44Å; E140-K144 PolarHBondContact O-N 3.11Å; E140-K144 VanDerWaalsContact O-N 3.16Å
141W98.6Very high96.8Very high79 Ų7980.8 Ų80.830%0.29938%0.375SS..Hα-helixtrans-72.7-40.8175.1-86.458.3000112.7R72 Y74 L137 A138 R139 K144 Y145R72-W141 HydrophobicContact CB-CE3 4.26Å; R72-W141 HydrophobicContact CB-CZ3 4.04Å; Y74-W141 HydrophobicContact CD2-CD2 4.29Å; Y74-W141 AromaticContact CD2-CE2 3.93Å; Y74-W141 HydrophobicContact CD2-CZ2 4.25Å; Y74-W141 AromaticContact CD2-NE1 3.96Å; Y74-W141 HydrophobicContact CG-CD2 4.47Å; Y74-W141 HydrophobicContact CG-CG 4.43Å; L137-W141 VanDerWaalsContact O-CD1 3.25Å; L137-W141 PolarHBondContact O-N 3.48Å; A138-W141 PolarHBondContact O-N 2.69Å; R139-W141 PolarHBondContact O-N 3.08Å; W141-K144 PolarHBondContact O-N 3.27Å; W141-Y145 HydrophobicContact CB-CD2 4.17Å; W141-Y145 HydrophobicContact CB-CE2 4.46Å; W141-Y145 AromaticContact CD2-CD2 3.99Å; W141-Y145 HydrophobicContact CD2-CD2 3.99Å; W141-Y145 AromaticContact CD2-CE2 3.64Å; W141-Y145 HydrophobicContact CD2-CE2 3.64Å; W141-Y145 AromaticContact CE3-CD2 3.79Å; W141-Y145 HydrophobicContact CE3-CD2 3.79Å; W141-Y145 AromaticContact CE3-CE2 3.7Å; W141-Y145 HydrophobicContact CE3-CE2 3.7Å; W141-Y145 HydrophobicContact CG-CD2 4.17Å; W141-Y145 AromaticContact CG-CE2 3.99Å; W141-Y145 HydrophobicContact CG-CE2 3.99Å; W141-Y145 HydrophobicContact CZ3-CE2 4.26Å; W141-Y145 WeakPolarHBondContact O-CB 3.17Å; W141-Y145 VanDerWaalsContact O-CD2 3.28Å; W141-Y145 WeakPolarHBondContact O-CD2 3.25Å; W141-Y145 PolarHBondContact O-N 3.31Å
142T98.6Very high96.8Very high3 Ų381.6 Ų81.62%0.01837%0.372CS..Hα-helixtrans-56.6-51.5173.5-57.70000110P44 Y45 F50 A138 R139 K144 Y145 A146 M147P44-T142 PolarHBondContact O-OG1 2.75Å; Y45-T142 WeakPolarHBondContact CA-OG1 3.5Å; Y45-T142 WeakPolarHBondContact O-CG2 3.44Å; F50-T142 HydrophobicContact CZ-CG2 4.25Å; A138-T142 PolarHBondContact O-N 2.74Å; A138-T142 PolarHBondContact O-OG1 3.23Å; R139-T142 WeakPolarHBondContact O-CB 3.06Å; R139-T142 PolarHBondContact O-N 3.43Å; R139-T142 VanDerWaalsContact O-N 3.1Å; T142-K144 VanDerWaalsContact C-N 3.26Å; T142-K144 PolarHBondContact O-N 2.93Å; T142-Y145 PolarHBondContact O-N 3.15Å; T142-A146 HydrophobicContact CG2-CB 4.31Å; T142-A146 CarbonylContact O-C 3.51Å; T142-A146 WeakPolarHBondContact O-CA 3.37Å; T142-A146 WeakPolarHBondContact O-CB 3.16Å; T142-A146 PolarHBondContact O-N 2.75Å; T142-M147 PolarHBondContact O-N 2.88Å
143D98.3Very high96.7Very high104 Ų10476.4 Ų76.456%0.55635%0.347SS*.Hα-helixtrans-58-39.5179.2-70.7-22.2000112.3R139R139-D143 PolarHBondContact O-N 3.11Å
144K98.1Very high96.6Very high148 Ų14876 Ų7664%0.64335%0.346SS*.Hα-helixtrans-81-34.5-174.5-173.7173.9178.2-172.40114.3E140 W141 T142E140-K144 VanDerWaalsContact O-CB 3.24Å; E140-K144 WeakPolarHBondContact O-CB 3.44Å; E140-K144 PolarHBondContact O-N 3.11Å; E140-K144 VanDerWaalsContact O-N 3.16Å; W141-K144 PolarHBondContact O-N 3.27Å; T142-K144 VanDerWaalsContact C-N 3.26Å; T142-K144 PolarHBondContact O-N 2.93Å
145Y98Very high96.4Very high71 Ų7181.2 Ų81.228%0.27837%0.37SS..Hα-helixtrans-121.9-17.8-167.4-56.2-63.3000114.5T71 R72 W141 T142T71-Y145 VanDerWaalsContact CG2-O 3.32Å; T71-Y145 WeakPolarHBondContact CG2-O 3.38Å; R72-Y145 HydrophobicContact CB-CD1 4.41Å; R72-Y145 HydrophobicContact CB-CD2 4.02Å; R72-Y145 HydrophobicContact CB-CG 3.95Å; W141-Y145 HydrophobicContact CB-CD2 4.17Å; W141-Y145 HydrophobicContact CB-CE2 4.46Å; W141-Y145 AromaticContact CD2-CD2 3.99Å; W141-Y145 HydrophobicContact CD2-CD2 3.99Å; W141-Y145 AromaticContact CD2-CE2 3.64Å; W141-Y145 HydrophobicContact CD2-CE2 3.64Å; W141-Y145 AromaticContact CE3-CD2 3.79Å; W141-Y145 HydrophobicContact CE3-CD2 3.79Å; W141-Y145 AromaticContact CE3-CE2 3.7Å; W141-Y145 HydrophobicContact CE3-CE2 3.7Å; W141-Y145 HydrophobicContact CG-CD2 4.17Å; W141-Y145 AromaticContact CG-CE2 3.99Å; W141-Y145 HydrophobicContact CG-CE2 3.99Å; W141-Y145 HydrophobicContact CZ3-CE2 4.26Å; W141-Y145 WeakPolarHBondContact O-CB 3.17Å; W141-Y145 VanDerWaalsContact O-CD2 3.28Å; W141-Y145 WeakPolarHBondContact O-CD2 3.25Å; W141-Y145 PolarHBondContact O-N 3.31Å; T142-Y145 PolarHBondContact O-N 3.15Å
146A97.5Very high96.3Very high3 Ų383.5 Ų83.53%0.02538%0.378CS..THydrogen-bonded Turntrans-121.1-6.9-171.400000113.8G48 V49 F50 T71 T142G48-A146 CarbonylContact C-O 3.59Å; G48-A146 WeakPolarHBondContact CA-O 3.48Å; V49-A146 PolarHBondContact N-O 2.88Å; F50-A146 HydrophobicContact CD1-CB 4.02Å; F50-A146 HydrophobicContact CE1-CB 3.55Å; F50-A146 HydrophobicContact CE2-CB 4.21Å; F50-A146 HydrophobicContact CZ-CB 3.66Å; T71-A146 HydrophobicContact CG2-CB 3.97Å; T142-A146 HydrophobicContact CG2-CB 4.31Å; T142-A146 CarbonylContact O-C 3.51Å; T142-A146 WeakPolarHBondContact O-CA 3.37Å; T142-A146 WeakPolarHBondContact O-CB 3.16Å; T142-A146 PolarHBondContact O-N 2.75Å
147M94.3Very high96.1Very high100 Ų10080.9 Ų80.949%0.49337%0.373SS..  trans-77.1137.9172.3-62-64.5-91.500110.5T142T142-M147 PolarHBondContact O-N 2.88Å
148L75.6Confident95.9Very high199 Ų19985.4 Ų85.4100%1.04239%0.392SS*.  trans-89.70172.6-68.7178.3000111.6V49V49-L148 HydrophobicContact CB-CD1 4.26Å; V49-L148 HydrophobicContact CB-CG 4.21Å; V49-L148 HydrophobicContact CG1-CD1 4.37Å; V49-L148 HydrophobicContact CG2-CD1 3.79Å; V49-L148 HydrophobicContact CG2-CG 3.98Å

Retrieved 148 of 148 residues in 74.2 ms (Link to these results)

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