A0A087YNB9_POEFO Loading...

Serine/threonine-protein phosphatase 4 regulatory subunit 3

Regulatory subunit of serine/threonine-protein phosphatase 4.

AlphaFold DB , UniProt , Accession A0A087YNB9, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 818 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
1M39Very low75.1Confident232 Ų23287 Ų87100%1.14342%0.415SS*.  09.10-71.2-173.4-17100112.9
2T46.4Very low76.1Confident126 Ų12680.6 Ų80.677%0.77339%0.386SS*.  trans-97.8-11-17939.40000114.9
3D57.5Low76.6Confident115 Ų11577.5 Ų77.562%0.61537%0.373SS*.SBendtrans-74.4-37.2-175.5-102.4-24.3000113.3R5 R6 H26D3-R5 VanDerWaalsContact C-N 3.28Å; D3-R5 PolarHBondContact O-N 3.16Å; D3-R6 PolarHBondContact O-N 3.33Å; D3-H26 PolarHBondContact O-CD2 3.11Å; D3-H26 PolarHBondContact O-NE2 3.39Å; D3-H26 IonicContact OD1-CD2 2.87Å; D3-H26 IonicContact OD1-NE2 3.79Å
4T65.1Low76.5Confident64 Ų6474.9 Ų74.939%0.39336%0.362SS..G310 helixtrans-67.4-28.9-175.157.80000113.3R6 R7 E86T4-R6 PolarHBondContact O-N 3.33Å; T4-R7 WeakPolarHBondContact O-CB 3.14Å; T4-R7 PolarHBondContact O-N 3.02Å; T4-E86 VanDerWaalsContact CB-OE1 3.31Å; T4-E86 WeakPolarHBondContact CB-OE1 3.22Å; T4-E86 PolarHBondContact OG1-OE1 2.9Å
5R76.1Confident76.1Confident113 Ų11383.1 Ų83.143%0.42640%0.399SS..G310 helixtrans-61.3-32.3-176.6-172.7175175.8173.11113D3 E86 A88 G89 E92D3-R5 VanDerWaalsContact C-N 3.28Å; D3-R5 PolarHBondContact O-N 3.16Å; R5-E86 WeakPolarHBondContact CA-OE2 3.1Å; R5-A88 PolarHBondContact NE-O 3.15Å; R5-A88 VanDerWaalsContact NE-O 3.15Å; R5-A88 PolarHBondContact NH2-O 3.47Å; R5-G89 WeakPolarHBondContact O-CA 3.39Å; R5-E92 IonicContact NE-OE2 3.79Å
6R83.6Confident75.6Confident103 Ų10386.3 Ų86.339%0.38942%0.419SS..G310 helixtrans-105.711.7-178-67-179.2179.5172.3-1.5112.8D3 T4 H26 V27 E92D3-R6 PolarHBondContact O-N 3.33Å; T4-R6 PolarHBondContact O-N 3.33Å; R6-H26 CarbonylContact O-C 3.58Å; R6-H26 VanDerWaalsContact O-CA 3.29Å; R6-H26 WeakPolarHBondContact O-CA 3.46Å; R6-V27 HydrophobicContact CB-CG1 4.37Å; R6-V27 WeakPolarHBondContact CD-O 3.4Å; R6-V27 PolarHBondContact O-N 3.14Å; R6-E92 IonicContact CZ-OE1 2.89Å; R6-E92 IonicContact NE-OE1 3.04Å; R6-E92 IonicContact NE-OE2 3.44Å; R6-E92 IonicContact NH2-OE1 3.48Å; R6-E92 PolarHBondContact NH2-OE1 2.9Å; R6-E92 IonicContact NH2-OE2 2.95Å
7R90.4Very high75.4Confident67 Ų6793.9 Ų93.925%0.25344%0.442SS..EExtended strand (participates in β ladder)trans-76.3124.8179.6-170.8164.4176.9-77.2-3110.4T4 T24 G25 E45 Q85T4-R7 WeakPolarHBondContact O-CB 3.14Å; T4-R7 PolarHBondContact O-N 3.02Å; R7-T24 HydrophobicContact CG-CG2 4.01Å; R7-T24 VanDerWaalsContact NH2-CG2 3.25Å; R7-G25 CarbonylContact C-O 3.45Å; R7-G25 WeakPolarHBondContact CA-O 3.3Å; R7-E45 IonicContact CZ-OE1 3.65Å; R7-E45 IonicContact CZ-OE2 2.86Å; R7-E45 IonicContact NE-OE1 3.85Å; R7-E45 IonicContact NE-OE2 2.72Å; R7-E45 PolarHBondContact NE-OE2 3.18Å; R7-E45 IonicContact NH2-OE1 2.99Å; R7-E45 PolarHBondContact NH2-OE1 2.86Å; R7-E45 IonicContact NH2-OE2 3.65Å; R7-E45 PolarHBondContact NH2-OE2 3.05Å; R7-Q85 HydrophobicContact CB-CB 4.45Å; R7-Q85 VanDerWaalsContact CD-OE1 3.26Å; R7-Q85 PolarHBondContact O-N 3.01Å
8V93.1Very high75.4Confident2 Ų295.8 Ų95.81%0.01245%0.451CS..EExtended strand (participates in β ladder)trans-134.7149.1-177.2-58.20000111.6T24 G25 V27 V42 L82 S83 F84V8-T24 WeakPolarHBondContact O-CA 3.03Å; V8-T24 WeakPolarHBondContact O-CG2 3.09Å; V8-G25 PolarHBondContact N-O 2.96Å; V8-G25 PolarHBondContact O-N 3.14Å; V8-G25 VanDerWaalsContact O-O 3.13Å; V8-V27 HydrophobicContact CG1-CB 4.05Å; V8-V27 HydrophobicContact CG1-CG1 3.64Å; V8-V27 HydrophobicContact CG2-CB 3.9Å; V8-V27 HydrophobicContact CG2-CG1 4.4Å; V8-V42 HydrophobicContact CG2-CG1 3.72Å; V8-V42 HydrophobicContact CG2-CG2 3.96Å; V8-L82 HydrophobicContact CG2-CD2 4.14Å; V8-S83 CarbonylContact C-O 3.59Å; V8-S83 WeakPolarHBondContact CA-O 3.44Å; V8-F84 HydrophobicContact CG1-CB 4.36Å; V8-F84 HydrophobicContact CG1-CD1 3.35Å; V8-F84 HydrophobicContact CG1-CD2 4.14Å; V8-F84 HydrophobicContact CG1-CE1 3.53Å; V8-F84 HydrophobicContact CG1-CE2 4.25Å; V8-F84 HydrophobicContact CG1-CG 3.69Å; V8-F84 HydrophobicContact CG1-CZ 3.97Å
9K92.6Very high75.8Confident76 Ų7696.9 Ų96.933%0.3345%0.45SS..EExtended strand (participates in β ladder)trans-96.3136.6160.3-80.6-171.1167-144.20110.1Y11 D21 T24 S83K9-Y11 HydrophobicContact CB-CD2 4.5Å; K9-Y11 HydrophobicContact CB-CE2 3.72Å; K9-Y11 VanDerWaalsContact CD-OH 3.28Å; K9-Y11 WeakPolarHBondContact CD-OH 3.16Å; K9-D21 IonicContact NZ-OD2 2.71Å; K9-D21 PolarHBondContact NZ-OD2 3.1Å; K9-T24 HydrophobicContact CG-CG2 4.11Å; K9-T24 WeakPolarHBondContact CG-OG1 3.46Å; K9-S83 PolarHBondContact N-O 3.38Å; K9-S83 PolarHBondContact O-N 2.78Å
10V91.2Very high76.2Confident1 Ų195.8 Ų95.81%0.00645%0.448CS..EExtended strand (participates in β ladder)trans-101.8128.6178.7-172.40000108.8R22 G23 V42 L52 L82V10-R22 HydrophobicContact CB-CB 4.11Å; V10-R22 HydrophobicContact CG1-CB 4.22Å; V10-R22 WeakPolarHBondContact O-CB 3.48Å; V10-R22 PolarHBondContact O-N 3.45Å; V10-G23 PolarHBondContact N-O 3.11Å; V10-G23 VanDerWaalsContact N-O 3.11Å; V10-V42 HydrophobicContact CG2-CB 3.98Å; V10-V42 HydrophobicContact CG2-CG1 3.68Å; V10-V42 HydrophobicContact CG2-CG2 3.96Å; V10-L52 HydrophobicContact CG1-CB 4.31Å; V10-L52 HydrophobicContact CG1-CD2 4.19Å; V10-L82 HydrophobicContact CB-CD2 4.29Å; V10-L82 HydrophobicContact CG1-CD2 4.23Å; V10-L82 HydrophobicContact CG2-CD2 3.74Å
11Y90.6Very high76.8Confident58 Ų5895 Ų9523%0.22745%0.447CS..EExtended strand (participates in β ladder)trans-120145.6173.7-57-87.5000110.9K9 D20 D21 L80 A81K9-Y11 HydrophobicContact CB-CD2 4.5Å; K9-Y11 HydrophobicContact CB-CE2 3.72Å; K9-Y11 VanDerWaalsContact CD-OH 3.28Å; K9-Y11 WeakPolarHBondContact CD-OH 3.16Å; Y11-D20 VanDerWaalsContact CA-O 3.29Å; Y11-D20 WeakPolarHBondContact CA-O 2.99Å; Y11-D21 HydrophobicContact CD1-CB 4.05Å; Y11-D21 HydrophobicContact CE1-CB 3.8Å; Y11-L80 WeakPolarHBondContact O-CA 3.36Å; Y11-A81 PolarHBondContact N-O 3Å; Y11-A81 PolarHBondContact O-N 3.13Å
12T87.9Confident78.9Confident10 Ų1090.6 Ų90.66%0.06142%0.417CS..EExtended strand (participates in β ladder)trans-126.2134.7170.851.20000109D20 R22 D79 L80T12-D20 PolarHBondContact N-O 3.01Å; T12-D20 PolarHBondContact O-N 3.44Å; T12-R22 HydrophobicContact CG2-CG 3.82Å; T12-R22 PolarHBondContact OG1-NE 3.28Å; T12-R22 PolarHBondContact OG1-NH2 3.02Å; T12-D79 WeakPolarHBondContact CA-O 3.39Å; T12-L80 HydrophobicContact CG2-CD2 3.45Å; T12-L80 VanDerWaalsContact CG2-CD2 3.45Å
13L82.1Confident80.9Confident41 Ų4185.7 Ų85.722%0.21539%0.392CS..EExtended strand (participates in β ladder)trans-74.8133.3172.2-16175.5000110Q18 W19 D79L13-Q18 WeakPolarHBondContact CA-O 3.11Å; L13-W19 HydrophobicContact CB-CD2 4.48Å; L13-W19 HydrophobicContact CB-CE3 4.21Å; L13-W19 HydrophobicContact CB-CH2 4.47Å; L13-W19 HydrophobicContact CB-CZ3 4.21Å; L13-W19 HydrophobicContact CD1-CD2 3.8Å; L13-W19 HydrophobicContact CD1-CE3 4.37Å; L13-W19 HydrophobicContact CD1-CG 3.93Å; L13-W19 HydrophobicContact CD1-CZ2 4.3Å; L13-D79 HydrophobicContact CB-CB 3.74Å; L13-D79 HydrophobicContact CD2-CB 4.21Å; L13-D79 VanDerWaalsContact CD2-OD2 3.28Å; L13-D79 WeakPolarHBondContact CD2-OD2 3.3Å; L13-D79 PolarHBondContact N-O 3.29Å
14N76.1Confident82.5Confident41 Ų4181.4 Ų81.422%0.21937%0.369CS..  trans-95.4176.6178.568.119.3000112.7D16 R17 Q18 D20N14-D16 PolarHBondContact O-N 3.45Å; N14-D16 PolarHBondContact OD1-N 3.21Å; N14-D16 VanDerWaalsContact OD1-N 3.16Å; N14-R17 PolarHBondContact O-N 2.83Å; N14-R17 PolarHBondContact OD1-N 2.95Å; N14-Q18 VanDerWaalsContact CG-O 3.23Å; N14-Q18 PolarHBondContact N-O 3.06Å; N14-Q18 PolarHBondContact OD1-N 3.49Å; N14-Q18 PolarHBondContact OD1-O 3.44Å; N14-D20 WeakPolarHBondContact CB-OD2 3.38Å; N14-D20 PolarHBondContact ND2-OD1 3.37Å; N14-D20 VanDerWaalsContact ND2-OD1 3.11Å; N14-D20 PolarHBondContact ND2-OD2 3.43Å
15E70.1Confident83.8Confident198 Ų19878.3 Ų78.393%0.92535%0.351SS*.THydrogen-bonded Turntrans-61-25.2-178.3-64.4-177.3170.300113.2R17E15-R17 VanDerWaalsContact C-N 3.26Å; E15-R17 PolarHBondContact O-N 3.26Å
16D67.5Low84.5Confident133 Ų13375.2 Ų75.271%0.71134%0.341SS*.THydrogen-bonded Turntrans-8611.1176.8-62.6-44.5000113.2N14 Q18N14-D16 PolarHBondContact O-N 3.45Å; N14-D16 PolarHBondContact OD1-N 3.21Å; N14-D16 VanDerWaalsContact OD1-N 3.16Å; D16-Q18 VanDerWaalsContact C-N 3.27Å; D16-Q18 PolarHBondContact O-N 3.08Å
17R72.9Confident85Confident217 Ų21770.4 Ų70.482%0.81932%0.323SS*.SBendtrans58.431.2-176.1-60-174.4171.8-168.5-3.5114.2N14 E15N14-R17 PolarHBondContact O-N 2.83Å; N14-R17 PolarHBondContact OD1-N 2.95Å; E15-R17 VanDerWaalsContact C-N 3.26Å; E15-R17 PolarHBondContact O-N 3.26Å
18Q75.4Confident84.9Confident128 Ų12869 Ų6960%0.59832%0.324SS*.  trans-108.9147.1172.9-62.2-174.72.600111.4L13 N14 D16 D20L13-Q18 WeakPolarHBondContact CA-O 3.11Å; N14-Q18 VanDerWaalsContact CG-O 3.23Å; N14-Q18 PolarHBondContact N-O 3.06Å; N14-Q18 PolarHBondContact OD1-N 3.49Å; N14-Q18 PolarHBondContact OD1-O 3.44Å; D16-Q18 VanDerWaalsContact C-N 3.27Å; D16-Q18 PolarHBondContact O-N 3.08Å; Q18-D20 PolarHBondContact O-N 2.89Å
19W82.1Confident84.6Confident117 Ų11770.6 Ų70.644%0.44334%0.335SS..EExtended strand (participates in β ladder)trans-83.4111.3179-73.4101.5000111.2L13 V71 D79 A81L13-W19 HydrophobicContact CB-CD2 4.48Å; L13-W19 HydrophobicContact CB-CE3 4.21Å; L13-W19 HydrophobicContact CB-CH2 4.47Å; L13-W19 HydrophobicContact CB-CZ3 4.21Å; L13-W19 HydrophobicContact CD1-CD2 3.8Å; L13-W19 HydrophobicContact CD1-CE3 4.37Å; L13-W19 HydrophobicContact CD1-CG 3.93Å; L13-W19 HydrophobicContact CD1-CZ2 4.3Å; W19-V71 HydrophobicContact CH2-CG1 3.94Å; W19-V71 HydrophobicContact CZ2-CG1 4.3Å; W19-D79 HydrophobicContact CH2-CB 3.84Å; W19-D79 HydrophobicContact CZ3-CB 4.32Å; W19-A81 HydrophobicContact CE3-CB 4.33Å; W19-A81 HydrophobicContact CH2-CB 3.92Å; W19-A81 HydrophobicContact CZ3-CB 3.74Å
20D84.7Confident84.3Confident74 Ų7469.9 Ų69.940%0.39634%0.338SS..EExtended strand (participates in β ladder)trans-87.3126.7175.9-75.7-19.8000111.4Y11 T12 N14 Q18 R22Y11-D20 VanDerWaalsContact CA-O 3.29Å; Y11-D20 WeakPolarHBondContact CA-O 2.99Å; T12-D20 PolarHBondContact N-O 3.01Å; T12-D20 PolarHBondContact O-N 3.44Å; N14-D20 WeakPolarHBondContact CB-OD2 3.38Å; N14-D20 PolarHBondContact ND2-OD1 3.37Å; N14-D20 VanDerWaalsContact ND2-OD1 3.11Å; N14-D20 PolarHBondContact ND2-OD2 3.43Å; Q18-D20 PolarHBondContact O-N 2.89Å; D20-R22 PolarHBondContact O-N 3.39Å
21D88.6Confident84Confident79 Ų7976.8 Ų76.842%0.42237%0.365SS..EExtended strand (participates in β ladder)trans-73.8111.1174.1-170.9-17.4000110K9 Y11 G23K9-D21 IonicContact NZ-OD2 2.71Å; K9-D21 PolarHBondContact NZ-OD2 3.1Å; Y11-D21 HydrophobicContact CD1-CB 4.05Å; Y11-D21 HydrophobicContact CE1-CB 3.8Å; D21-G23 VanDerWaalsContact C-N 3.31Å; D21-G23 WeakPolarHBondContact OD1-CA 3.43Å; D21-G23 PolarHBondContact OD1-N 3.35Å
22R83.6Confident83.7Confident140 Ų14075.1 Ų75.153%0.52836%0.361SS..EExtended strand (participates in β ladder)trans-83.7-5177.8-69.2-70.3-171.3114.60.2113.1V10 T12 D20V10-R22 HydrophobicContact CB-CB 4.11Å; V10-R22 HydrophobicContact CG1-CB 4.22Å; V10-R22 WeakPolarHBondContact O-CB 3.48Å; V10-R22 PolarHBondContact O-N 3.45Å; T12-R22 HydrophobicContact CG2-CG 3.82Å; T12-R22 PolarHBondContact OG1-NE 3.28Å; T12-R22 PolarHBondContact OG1-NH2 3.02Å; D20-R22 PolarHBondContact O-N 3.39Å
23G88.1Confident83.2Confident23 Ų2382.6 Ų82.624%0.23740%0.396CS..EExtended strand (participates in β ladder)trans117.6173.1178.400000113.9V10 D21V10-G23 PolarHBondContact N-O 3.11Å; V10-G23 VanDerWaalsContact N-O 3.11Å; D21-G23 VanDerWaalsContact C-N 3.31Å; D21-G23 WeakPolarHBondContact OD1-CA 3.43Å; D21-G23 PolarHBondContact OD1-N 3.35Å
24T90.8Very high83Confident24 Ų2489.5 Ų89.515%0.14742%0.419CS..EExtended strand (participates in β ladder)trans-106.3135.9-179.1-48.40000111.2R7 V8 K9 E45R7-T24 HydrophobicContact CG-CG2 4.01Å; R7-T24 VanDerWaalsContact NH2-CG2 3.25Å; V8-T24 WeakPolarHBondContact O-CA 3.03Å; V8-T24 WeakPolarHBondContact O-CG2 3.09Å; K9-T24 HydrophobicContact CG-CG2 4.11Å; K9-T24 WeakPolarHBondContact CG-OG1 3.46Å; T24-E45 PolarHBondContact O-N 2.86Å
25G92.1Very high82.9Confident0 Ų089.6 Ų89.60%042%0.419CS..EExtended strand (participates in β ladder)trans-158.3-172.3-177.200000113.6R7 V8 R43R7-G25 CarbonylContact C-O 3.45Å; R7-G25 WeakPolarHBondContact CA-O 3.3Å; V8-G25 PolarHBondContact N-O 2.96Å; V8-G25 PolarHBondContact O-N 3.14Å; V8-G25 VanDerWaalsContact O-O 3.13Å; G25-R43 CarbonylContact C-O 3.58Å; G25-R43 WeakPolarHBondContact CA-O 3.47Å
26H91.6Very high83.4Confident48 Ų4888.1 Ų88.122%0.22241%0.41CS..EExtended strand (participates in β ladder)trans-109.8123.2178.9-63.481.7000110.2D3 R6 V42 R43D3-H26 PolarHBondContact O-CD2 3.11Å; D3-H26 PolarHBondContact O-NE2 3.39Å; D3-H26 IonicContact OD1-CD2 2.87Å; D3-H26 IonicContact OD1-NE2 3.79Å; R6-H26 CarbonylContact O-C 3.58Å; R6-H26 VanDerWaalsContact O-CA 3.29Å; R6-H26 WeakPolarHBondContact O-CA 3.46Å; H26-V42 WeakPolarHBondContact O-CA 3.46Å; H26-R43 PolarHBondContact N-O 3.1Å; H26-R43 PolarHBondContact O-N 3.25Å
27V92.9Very high84.1Confident2 Ų282.2 Ų82.21%0.01238%0.38CS..EExtended strand (participates in β ladder)trans-83.9142179.468.30000111.7R6 V8 L41 V42 L82 F84 I93R6-V27 HydrophobicContact CB-CG1 4.37Å; R6-V27 WeakPolarHBondContact CD-O 3.4Å; R6-V27 PolarHBondContact O-N 3.14Å; V8-V27 HydrophobicContact CG1-CB 4.05Å; V8-V27 HydrophobicContact CG1-CG1 3.64Å; V8-V27 HydrophobicContact CG2-CB 3.9Å; V8-V27 HydrophobicContact CG2-CG1 4.4Å; V27-L41 CarbonylContact C-O 3.6Å; V27-L41 WeakPolarHBondContact CA-O 3.22Å; V27-V42 HydrophobicContact CB-CG2 4.07Å; V27-V42 HydrophobicContact CG2-CG2 4Å; V27-L82 HydrophobicContact CG2-CD1 4.18Å; V27-F84 HydrophobicContact CG1-CD1 4.44Å; V27-F84 HydrophobicContact CG1-CE1 3.63Å; V27-F84 HydrophobicContact CG1-CZ 4.23Å; V27-I93 HydrophobicContact CG1-CD1 4.14Å; V27-I93 HydrophobicContact CG1-CG1 3.83Å; V27-I93 HydrophobicContact CG2-CD1 4.24Å; V27-I93 HydrophobicContact CG2-CG1 4.37Å
28S88.4Confident84.9Confident38 Ų3873.3 Ų73.327%0.26635%0.35SS..EExtended strand (participates in β ladder)trans-142.4147.4172.759.70000109.9L41S28-L41 PolarHBondContact N-O 2.73Å; S28-L41 PolarHBondContact O-N 3.16Å; S28-L41 PolarHBondContact OG-O 3.29Å
29S87.8Confident85.5Confident35 Ų3567.2 Ų67.225%0.24532%0.321CS..EExtended strand (participates in β ladder)trans-112.5115.7173.2169.60000109.3T38 S39 K96S29-T38 WeakPolarHBondContact OG-CG2 3.37Å; S29-S39 WeakPolarHBondContact CA-O 3.39Å; S29-K96 VanDerWaalsContact OG-CG 3.27Å; S29-K96 WeakPolarHBondContact OG-CG 3.38Å
30C86.1Confident85.9Confident60 Ų6061.6 Ų61.641%0.40530%0.3SS..EExtended strand (participates in β ladder)trans-139.5163.3174.473.30000112.3V32 T38 S39 L41C30-V32 PolarHBondContact O-N 2.97Å; C30-T38 WeakPolarHBondContact O-CA 3.36Å; C30-S39 PolarHBondContact N-O 3.05Å; C30-S39 PolarHBondContact O-N 3.37Å; C30-L41 WeakPolarHBondContact SG-CD1 3.33Å
31Y84.7Confident86.2Confident146 Ų14658.5 Ų58.557%0.57328%0.284SS*.EExtended strand (participates in β ladder)trans-78.7120.1176.2-170.7-89.6000109.7K36 G37Y31-K36 WeakPolarHBondContact OH-CA 3.32Å; Y31-G37 VanDerWaalsContact CE2-CA 3.5Å
32V84.7Confident86.4Confident23 Ų2354.8 Ų54.814%0.13926%0.263CS..EExtended strand (participates in β ladder)trans-102.7113179.9-1800000108.9C30 R34 L35 K36 G37 L41C30-V32 PolarHBondContact O-N 2.97Å; V32-R34 VanDerWaalsContact C-N 3.29Å; V32-R34 HydrophobicContact CG1-CB 4.27Å; V32-R34 PolarHBondContact O-N 3.35Å; V32-L35 HydrophobicContact CB-CB 4.35Å; V32-L35 HydrophobicContact CB-CD1 4.48Å; V32-L35 HydrophobicContact CG1-CB 4.33Å; V32-L35 HydrophobicContact CG1-CD1 4.27Å; V32-L35 HydrophobicContact CG1-CG 4.15Å; V32-L35 PolarHBondContact O-N 2.65Å; V32-L35 VanDerWaalsContact O-N 3.1Å; V32-K36 PolarHBondContact O-N 2.71Å; V32-G37 PolarHBondContact N-O 3.03Å; V32-L41 HydrophobicContact CG2-CD1 4.16Å
33E76.3Confident86.7Confident168 Ų16854 Ų5479%0.78526%0.261SS*.G310 helixtrans-62.4-34.6-172.8-164.6161.4-157.200112.9L35 K36E33-L35 PolarHBondContact O-N 2.95Å; E33-K36 PolarHBondContact O-N 2.87Å
34R78.4Confident86.8Confident185 Ų18553.3 Ų53.370%0.69825%0.253SS*.G310 helixtrans-61.2-40.1174.2-173.9179.875.292.8-3.3112.8V32 E53V32-R34 VanDerWaalsContact C-N 3.29Å; V32-R34 HydrophobicContact CG1-CB 4.27Å; V32-R34 PolarHBondContact O-N 3.35Å; R34-E53 IonicContact CZ-OE2 2.59Å; R34-E53 IonicContact NH2-OE2 3.81Å; R34-E53 PolarHBondContact NH2-OE2 2.79Å
35L74.8Confident86.6Confident44 Ų4456.9 Ų56.923%0.2327%0.268CS..G310 helixtrans-92-4.5-177.3-63.5177.4000112.5V32 E33 G37 E53 K55V32-L35 HydrophobicContact CB-CB 4.35Å; V32-L35 HydrophobicContact CB-CD1 4.48Å; V32-L35 HydrophobicContact CG1-CB 4.33Å; V32-L35 HydrophobicContact CG1-CD1 4.27Å; V32-L35 HydrophobicContact CG1-CG 4.15Å; V32-L35 PolarHBondContact O-N 2.65Å; V32-L35 VanDerWaalsContact O-N 3.1Å; E33-L35 PolarHBondContact O-N 2.95Å; L35-G37 VanDerWaalsContact C-N 3.27Å; L35-G37 PolarHBondContact O-N 2.93Å; L35-E53 HydrophobicContact CD1-CG 3.97Å; L35-K55 HydrophobicContact CB-CD 4.31Å; L35-K55 HydrophobicContact CD1-CB 4.45Å; L35-K55 WeakPolarHBondContact O-CE 3.38Å; L35-K55 PolarHBondContact O-NZ 3.21Å
36K79Confident86.1Confident167 Ų16762 Ų6273%0.72630%0.304SS*.THydrogen-bonded Turntrans47.148.2-176.2-62.3-175.7178.7-179.70112.1Y31 V32 E33Y31-K36 WeakPolarHBondContact OH-CA 3.32Å; V32-K36 PolarHBondContact O-N 2.71Å; E33-K36 PolarHBondContact O-N 2.87Å
37G83.8Confident85.7Confident9 Ų965.3 Ų65.39%0.09332%0.323CS..EExtended strand (participates in β ladder)trans-174.8165.9-179.600000114.2Y31 V32 L35 S39Y31-G37 VanDerWaalsContact CE2-CA 3.5Å; V32-G37 PolarHBondContact N-O 3.03Å; L35-G37 VanDerWaalsContact C-N 3.27Å; L35-G37 PolarHBondContact O-N 2.93Å; G37-S39 PolarHBondContact O-OG 3.35Å
38T88.1Confident85.2Confident29 Ų2967 Ų6718%0.17834%0.341CS..EExtended strand (participates in β ladder)trans-69128.5171.9-51.30000109.3S29 C30 I56 V100S29-T38 WeakPolarHBondContact OG-CG2 3.37Å; C30-T38 WeakPolarHBondContact O-CA 3.36Å; T38-I56 HydrophobicContact CG2-CD1 4.12Å; T38-I56 PolarHBondContact O-N 3.24Å; T38-V100 HydrophobicContact CG2-CG2 4.08Å
39S88.9Confident85.2Confident0 Ų067.6 Ų67.60%035%0.345CS..EExtended strand (participates in β ladder)trans-129.2147.6-177.1-51.10000110.9S29 C30 G37 S54S29-S39 WeakPolarHBondContact CA-O 3.39Å; C30-S39 PolarHBondContact N-O 3.05Å; C30-S39 PolarHBondContact O-N 3.37Å; G37-S39 PolarHBondContact O-OG 3.35Å; S39-S54 CarbonylContact C-O 3.52Å; S39-S54 VanDerWaalsContact CA-O 3.23Å; S39-S54 WeakPolarHBondContact CA-O 3.48Å; S39-S54 WeakPolarHBondContact CB-O 3.34Å
40L91Very high85.2Confident0 Ų069.5 Ų69.50%035%0.352CS..EExtended strand (participates in β ladder)trans-84.6123.1169.9-59.4178.3000108.9E53 S54 I56 W72 L82 I93 I97L40-E53 WeakPolarHBondContact O-CA 3.26Å; L40-S54 PolarHBondContact N-O 3.37Å; L40-S54 PolarHBondContact O-N 2.96Å; L40-I56 HydrophobicContact CD1-CG1 4.44Å; L40-I56 HydrophobicContact CD2-CD1 3.87Å; L40-I56 HydrophobicContact CD2-CG1 4.32Å; L40-I56 HydrophobicContact CG-CD1 4.03Å; L40-I56 HydrophobicContact CG-CG1 3.91Å; L40-W72 HydrophobicContact CD1-CH2 4.15Å; L40-W72 HydrophobicContact CD1-CZ2 4.42Å; L40-L82 HydrophobicContact CD1-CD1 4.38Å; L40-I93 HydrophobicContact CD1-CG2 4.48Å; L40-I93 HydrophobicContact CD2-CG2 3.71Å; L40-I97 HydrophobicContact CD1-CD1 4.15Å
41L90.4Very high85.2Confident9 Ų968.9 Ų68.95%0.04734%0.344CS..EExtended strand (participates in β ladder)trans-121.6122.5-179-66.8161000109.3V27 S28 C30 V32 L50 L52 E53V27-L41 CarbonylContact C-O 3.6Å; V27-L41 WeakPolarHBondContact CA-O 3.22Å; S28-L41 PolarHBondContact N-O 2.73Å; S28-L41 PolarHBondContact O-N 3.16Å; S28-L41 PolarHBondContact OG-O 3.29Å; C30-L41 WeakPolarHBondContact SG-CD1 3.33Å; V32-L41 HydrophobicContact CG2-CD1 4.16Å; L41-L50 HydrophobicContact CB-CD1 4.2Å; L41-L50 HydrophobicContact CD2-CD1 3.76Å; L41-L50 HydrophobicContact CD2-CD2 4.19Å; L41-L52 CarbonylContact C-O 3.52Å; L41-L52 VanDerWaalsContact CA-O 3.3Å; L41-L52 WeakPolarHBondContact CA-O 3.21Å; L41-E53 HydrophobicContact CD2-CB 3.81Å; L41-E53 HydrophobicContact CD2-CG 3.63Å; L41-E53 WeakPolarHBondContact CD2-OE1 3.44Å
42V92.4Very high85.4Confident0 Ų062.9 Ų62.90%032%0.322CS..EExtended strand (participates in β ladder)trans-110.6123.1174.1-174.50000109.6V8 V10 H26 V27 L51 L52 L82V8-V42 HydrophobicContact CG2-CG1 3.72Å; V8-V42 HydrophobicContact CG2-CG2 3.96Å; V10-V42 HydrophobicContact CG2-CB 3.98Å; V10-V42 HydrophobicContact CG2-CG1 3.68Å; V10-V42 HydrophobicContact CG2-CG2 3.96Å; H26-V42 WeakPolarHBondContact O-CA 3.46Å; V27-V42 HydrophobicContact CB-CG2 4.07Å; V27-V42 HydrophobicContact CG2-CG2 4Å; V42-L51 HydrophobicContact CB-CB 4.39Å; V42-L51 HydrophobicContact CG1-CB 4.33Å; V42-L51 HydrophobicContact CG1-CD1 4.34Å; V42-L51 PolarHBondContact O-N 2.93Å; V42-L52 HydrophobicContact CB-CB 3.99Å; V42-L52 HydrophobicContact CG2-CB 3.99Å; V42-L52 HydrophobicContact CG2-CD2 4.17Å; V42-L52 PolarHBondContact N-O 3.3Å; V42-L52 PolarHBondContact O-N 3.33Å; V42-L82 HydrophobicContact CG2-CD2 3.88Å
43R91.3Very high85.6Confident125 Ų12565 Ų6547%0.47233%0.33SS..EExtended strand (participates in β ladder)trans-107.6129.7177.1-65.4-176-179.7-78.5-5.1111.3G25 H26 S49 L50G25-R43 CarbonylContact C-O 3.58Å; G25-R43 WeakPolarHBondContact CA-O 3.47Å; H26-R43 PolarHBondContact N-O 3.1Å; H26-R43 PolarHBondContact O-N 3.25Å; R43-S49 CarbonylContact C-O 3.55Å; R43-S49 VanDerWaalsContact CA-O 3.25Å; R43-S49 WeakPolarHBondContact CA-O 3.43Å; R43-L50 HydrophobicContact CG-CD1 4.16Å
44A89.2Confident86.2Confident8 Ų857 Ų577%0.06629%0.293CS..EExtended strand (participates in β ladder)trans-58.2141.6-178.600000112S46 D47 G48 S49 L51A44-S46 VanDerWaalsContact C-N 3.32Å; A44-D47 WeakPolarHBondContact CB-OD1 3.49Å; A44-G48 VanDerWaalsContact O-CA 3.3Å; A44-G48 WeakPolarHBondContact O-CA 3.27Å; A44-G48 PolarHBondContact O-N 3.31Å; A44-G48 VanDerWaalsContact O-N 3.09Å; A44-S49 PolarHBondContact N-O 3.36Å; A44-L51 HydrophobicContact CB-CD1 3.88Å; A44-L51 HydrophobicContact CB-CD2 3.95Å; A44-L51 HydrophobicContact CB-CG 3.8Å
45E87.3Confident86.6Confident99 Ų9951 Ų5146%0.46327%0.272SS..THydrogen-bonded Turntrans-74.3-22.6177.269.7-175.2172.500113.4R7 T24R7-E45 IonicContact CZ-OE1 3.65Å; R7-E45 IonicContact CZ-OE2 2.86Å; R7-E45 IonicContact NE-OE1 3.85Å; R7-E45 IonicContact NE-OE2 2.72Å; R7-E45 PolarHBondContact NE-OE2 3.18Å; R7-E45 IonicContact NH2-OE1 2.99Å; R7-E45 PolarHBondContact NH2-OE1 2.86Å; R7-E45 IonicContact NH2-OE2 3.65Å; R7-E45 PolarHBondContact NH2-OE2 3.05Å; T24-E45 PolarHBondContact O-N 2.86Å
46S81.8Confident87.3Confident108 Ų10849.1 Ų49.176%0.75526%0.262SS*.THydrogen-bonded Turntrans-76.5-44.6-176.648.20000113.7A44A44-S46 VanDerWaalsContact C-N 3.32Å
47D82.7Confident87.5Confident117 Ų11743.6 Ų43.663%0.62624%0.24SC*.THydrogen-bonded Turntrans-139-0.8-170.966.8-0.4000114.4A44 S49A44-D47 WeakPolarHBondContact CB-OD1 3.49Å; D47-S49 PolarHBondContact O-N 3.25Å; D47-S49 WeakPolarHBondContact OD1-CB 3.24Å; D47-S49 PolarHBondContact OD1-N 3.37Å; D47-S49 PolarHBondContact OD1-OG 3.34Å; D47-S49 PolarHBondContact OD2-OG 3.27Å
48G82.1Confident87.3Confident38 Ų3846.7 Ų46.739%0.39226%0.259SS..  trans72.87.5-178.600000115A44A44-G48 VanDerWaalsContact O-CA 3.3Å; A44-G48 WeakPolarHBondContact O-CA 3.27Å; A44-G48 PolarHBondContact O-N 3.31Å; A44-G48 VanDerWaalsContact O-N 3.09Å
49S88.6Confident86.9Confident49 Ų4952.4 Ų52.434%0.34329%0.288SS..  trans-62157.9173.864.60000111.5R43 A44 D47R43-S49 CarbonylContact C-O 3.55Å; R43-S49 VanDerWaalsContact CA-O 3.25Å; R43-S49 WeakPolarHBondContact CA-O 3.43Å; A44-S49 PolarHBondContact N-O 3.36Å; D47-S49 PolarHBondContact O-N 3.25Å; D47-S49 WeakPolarHBondContact OD1-CB 3.24Å; D47-S49 PolarHBondContact OD1-N 3.37Å; D47-S49 PolarHBondContact OD1-OG 3.34Å; D47-S49 PolarHBondContact OD2-OG 3.27Å
50L87.1Confident86.6Confident75 Ų7553.5 Ų53.539%0.39330%0.295SS..EExtended strand (participates in β ladder)trans-87.1115.2-178.1-16768000109.5L41 R43 E53L41-L50 HydrophobicContact CB-CD1 4.2Å; L41-L50 HydrophobicContact CD2-CD1 3.76Å; L41-L50 HydrophobicContact CD2-CD2 4.19Å; R43-L50 HydrophobicContact CG-CD1 4.16Å; L50-E53 HydrophobicContact CD2-CB 3.84Å
51L86.4Confident86.3Confident48 Ų4854.5 Ų54.525%0.25130%0.303SS..EExtended strand (participates in β ladder)trans-86.6-34178.4-63.5-179.9000112.2V42 A44V42-L51 HydrophobicContact CB-CB 4.39Å; V42-L51 HydrophobicContact CG1-CB 4.33Å; V42-L51 HydrophobicContact CG1-CD1 4.34Å; V42-L51 PolarHBondContact O-N 2.93Å; A44-L51 HydrophobicContact CB-CD1 3.88Å; A44-L51 HydrophobicContact CB-CD2 3.95Å; A44-L51 HydrophobicContact CB-CG 3.8Å
52L88.8Confident86.2Confident19 Ų1954.1 Ų54.110%0.09930%0.301CS..EExtended strand (participates in β ladder)trans-146.6135.4-179.6-177.267.4000110.4V10 L41 V42 W72 L80 L82V10-L52 HydrophobicContact CG1-CB 4.31Å; V10-L52 HydrophobicContact CG1-CD2 4.19Å; L41-L52 CarbonylContact C-O 3.52Å; L41-L52 VanDerWaalsContact CA-O 3.3Å; L41-L52 WeakPolarHBondContact CA-O 3.21Å; V42-L52 HydrophobicContact CB-CB 3.99Å; V42-L52 HydrophobicContact CG2-CB 3.99Å; V42-L52 HydrophobicContact CG2-CD2 4.17Å; V42-L52 PolarHBondContact N-O 3.3Å; V42-L52 PolarHBondContact O-N 3.33Å; L52-W72 HydrophobicContact CD2-CH2 3.9Å; L52-W72 HydrophobicContact CD2-CZ2 4.05Å; L52-L80 HydrophobicContact CD1-CD1 4.19Å; L52-L80 HydrophobicContact CD1-CD2 3.97Å; L52-L82 HydrophobicContact CD2-CD2 3.93Å; L52-L82 HydrophobicContact CD2-CG 4.47Å
53E89.5Confident86Confident67 Ų6757 Ų5731%0.31332%0.315SS..EExtended strand (participates in β ladder)trans-132.199.9165.6177.9171.2-82.400107.6R34 L35 L40 L41 L50R34-E53 IonicContact CZ-OE2 2.59Å; R34-E53 IonicContact NH2-OE2 3.81Å; R34-E53 PolarHBondContact NH2-OE2 2.79Å; L35-E53 HydrophobicContact CD1-CG 3.97Å; L40-E53 WeakPolarHBondContact O-CA 3.26Å; L41-E53 HydrophobicContact CD2-CB 3.81Å; L41-E53 HydrophobicContact CD2-CG 3.63Å; L41-E53 WeakPolarHBondContact CD2-OE1 3.44Å; L50-E53 HydrophobicContact CD2-CB 3.84Å
54S88.3Confident85.9Confident0 Ų052.5 Ų52.50%030%0.299CS..EExtended strand (participates in β ladder)trans-122.5127.4-177.3-176.80000110.2S39 L40 W72 E74S39-S54 CarbonylContact C-O 3.52Å; S39-S54 VanDerWaalsContact CA-O 3.23Å; S39-S54 WeakPolarHBondContact CA-O 3.48Å; S39-S54 WeakPolarHBondContact CB-O 3.34Å; L40-S54 PolarHBondContact N-O 3.37Å; L40-S54 PolarHBondContact O-N 2.96Å; S54-W72 PolarHBondContact OG-NE1 3.33Å; S54-E74 VanDerWaalsContact CB-OE2 3.31Å; S54-E74 WeakPolarHBondContact CB-OE2 3.44Å; S54-E74 VanDerWaalsContact OG-CD 3.25Å; S54-E74 PolarHBondContact OG-OE1 2.94Å; S54-E74 PolarHBondContact OG-OE2 2.86Å
55K87.8Confident85.6Confident61 Ų6155.9 Ų55.927%0.26531%0.313SS..EExtended strand (participates in β ladder)trans-81.5131.5-178.8-177.7-176.7174.2172.70109.5L35 N57 Y62L35-K55 HydrophobicContact CB-CD 4.31Å; L35-K55 HydrophobicContact CD1-CB 4.45Å; L35-K55 WeakPolarHBondContact O-CE 3.38Å; L35-K55 PolarHBondContact O-NZ 3.21Å; K55-N57 PolarHBondContact O-N 3.18Å; K55-N57 PolarHBondContact O-ND2 3.42Å; K55-Y62 PolarHBondContact O-OH 3.2Å
56I88.2Confident85.2Confident4 Ų459.5 Ų59.52%0.02133%0.33CS..  trans-73.7104.1173.6-53.7172.1000108.5T38 L40 Y62 I97 V100T38-I56 HydrophobicContact CG2-CD1 4.12Å; T38-I56 PolarHBondContact O-N 3.24Å; L40-I56 HydrophobicContact CD1-CG1 4.44Å; L40-I56 HydrophobicContact CD2-CD1 3.87Å; L40-I56 HydrophobicContact CD2-CG1 4.32Å; L40-I56 HydrophobicContact CG-CD1 4.03Å; L40-I56 HydrophobicContact CG-CG1 3.91Å; I56-Y62 WeakPolarHBondContact CA-OH 3.31Å; I56-Y62 HydrophobicContact CG2-CE2 4.1Å; I56-I97 HydrophobicContact CD1-CG1 3.92Å; I56-I97 HydrophobicContact CG1-CG1 4.44Å; I56-I97 HydrophobicContact CG2-CG2 4.25Å; I56-V100 HydrophobicContact CB-CG1 4.11Å; I56-V100 HydrophobicContact CD1-CG2 4.42Å; I56-V100 HydrophobicContact CG2-CB 3.97Å; I56-V100 HydrophobicContact CG2-CG1 3.72Å
57N83.6Confident85.2Confident51 Ų5158 Ų5827%0.27331%0.313SS..  trans-90.6141.8179.6-67.7-49.3000110.7K55 N59 T60 Q101K55-N57 PolarHBondContact O-N 3.18Å; K55-N57 PolarHBondContact O-ND2 3.42Å; N57-N59 PolarHBondContact O-N 3.37Å; N57-T60 WeakPolarHBondContact CB-OG1 3.36Å; N57-T60 PolarHBondContact O-N 2.97Å; N57-Q101 PolarHBondContact O-NE2 2.87Å
58P80.3Confident85.5Confident74 Ų7454.5 Ų54.548%0.48130%0.297SS..THydrogen-bonded Turntrans-60.6-30.1178.7-24.734.5000114.3Q111P58-Q111 PolarHBondContact O-NE2 3.14Å
59N78.8Confident85.9Confident148 Ų14854.4 Ų54.479%0.79129%0.287SS*.THydrogen-bonded Turntrans-99.6-2.8-172.6-60-9.2000113.7N57N57-N59 PolarHBondContact O-N 3.37Å
60T83.6Confident86.1Confident23 Ų2352.1 Ų52.114%0.14127%0.271CS..SBendtrans-81.4132.2177.8-64.50000109.7N57 Y62 W72 S73 Q101N57-T60 WeakPolarHBondContact CB-OG1 3.36Å; N57-T60 PolarHBondContact O-N 2.97Å; T60-Y62 HydrophobicContact CG2-CD2 4.23Å; T60-Y62 HydrophobicContact CG2-CE2 3.74Å; T60-Y62 WeakPolarHBondContact O-CD2 3.49Å; T60-Y62 PolarHBondContact O-N 2.78Å; T60-W72 HydrophobicContact CG2-CB 4.12Å; T60-W72 HydrophobicContact CG2-CG 4.42Å; T60-S73 WeakPolarHBondContact CG2-O 3.48Å; T60-Q101 PolarHBondContact O-NE2 3.45Å
61A84.4Confident86.3Confident22 Ų2249.6 Ų49.618%0.18226%0.258CS..  trans-78.1113.7172.700000109.9W72 Q111 V113A61-W72 WeakPolarHBondContact O-CB 3.44Å; A61-Q111 HydrophobicContact CB-CB 4.18Å; A61-Q111 WeakPolarHBondContact CB-O 3.43Å; A61-V113 HydrophobicContact CB-CG2 3.76Å
62Y88.3Confident86.5Confident1 Ų147.5 Ų47.50%0.00425%0.247CC..EExtended strand (participates in β ladder)trans-98.4139.9168.4-64.4-94.8000108.5K55 I56 T60 I70 W72 W94 I97 I109 T110K55-Y62 PolarHBondContact O-OH 3.2Å; I56-Y62 WeakPolarHBondContact CA-OH 3.31Å; I56-Y62 HydrophobicContact CG2-CE2 4.1Å; T60-Y62 HydrophobicContact CG2-CD2 4.23Å; T60-Y62 HydrophobicContact CG2-CE2 3.74Å; T60-Y62 WeakPolarHBondContact O-CD2 3.49Å; T60-Y62 PolarHBondContact O-N 2.78Å; Y62-I70 HydrophobicContact CD1-CG2 4.36Å; Y62-W72 HydrophobicContact CD1-CB 3.48Å; Y62-W72 VanDerWaalsContact CD1-CB 3.48Å; Y62-W72 AromaticContact CD1-CD2 3.73Å; Y62-W72 HydrophobicContact CD1-CD2 3.73Å; Y62-W72 AromaticContact CD1-CE3 3.93Å; Y62-W72 HydrophobicContact CD1-CE3 3.93Å; Y62-W72 AromaticContact CD1-CG 3.55Å; Y62-W72 HydrophobicContact CD1-CG 3.55Å; Y62-W72 HydrophobicContact CE1-CB 3.72Å; Y62-W72 AromaticContact CE1-CD1 3.64Å; Y62-W72 AromaticContact CE1-CD2 3.45Å; Y62-W72 HydrophobicContact CE1-CD2 3.45Å; Y62-W72 VanDerWaalsContact CE1-CD2 3.45Å; Y62-W72 AromaticContact CE1-CE2 3.86Å; Y62-W72 HydrophobicContact CE1-CE3 4.01Å; Y62-W72 AromaticContact CE1-CG 3.3Å; Y62-W72 HydrophobicContact CE1-CG 3.3Å; Y62-W72 AromaticContact CE1-NE1 3.93Å; Y62-W72 HydrophobicContact CG-CB 4.07Å; Y62-W94 WeakPolarHBondContact O-CH2 3.4Å; Y62-I97 HydrophobicContact CD1-CD1 4.02Å; Y62-I97 HydrophobicContact CD1-CG2 4.26Å; Y62-I97 HydrophobicContact CD2-CG2 3.57Å; Y62-I97 HydrophobicContact CE1-CD1 4.48Å; Y62-I97 HydrophobicContact CE2-CG2 4.13Å; Y62-I97 HydrophobicContact CG-CD1 4.4Å; Y62-I97 HydrophobicContact CG-CG2 3.67Å; Y62-I109 WeakPolarHBondContact O-CA 3.3Å; Y62-T110 PolarHBondContact N-OG1 3.48Å; Y62-T110 PolarHBondContact O-N 3.42Å
63Q88.8Confident86.2Confident61 Ų6149.6 Ų49.629%0.28526%0.263SS..EExtended strand (participates in β ladder)trans-122.7129.9178.3-58.4-173.34.300110.3I70 V71 D108 I109Q63-I70 CarbonylContact O-C 3.51Å; Q63-I70 WeakPolarHBondContact O-CA 3.29Å; Q63-V71 PolarHBondContact N-O 3.27Å; Q63-V71 PolarHBondContact O-N 3.01Å; Q63-D108 WeakPolarHBondContact CA-O 3.34Å; Q63-I109 HydrophobicContact CB-CG1 4.43Å; Q63-I109 HydrophobicContact CG-CD1 4.24Å; Q63-I109 HydrophobicContact CG-CG1 4Å; Q63-I109 HydrophobicContact CG-CG2 4.14Å
64K88.2Confident85.7Confident29 Ų2948.9 Ų48.913%0.12626%0.26CS..EExtended strand (participates in β ladder)trans-97.5121.1172.3-171.8-176.5-179.9-169.20108.9L69 D91 W94 D108K64-L69 CarbonylContact C-O 3.39Å; K64-L69 WeakPolarHBondContact CA-O 3.23Å; K64-D91 WeakPolarHBondContact CE-OD1 3.38Å; K64-D91 IonicContact NZ-OD1 3.99Å; K64-D91 PolarHBondContact NZ-OD1 2.84Å; K64-W94 HydrophobicContact CB-CD2 3.87Å; K64-W94 HydrophobicContact CB-CE3 3.85Å; K64-W94 HydrophobicContact CB-CH2 3.68Å; K64-W94 HydrophobicContact CB-CZ2 3.73Å; K64-W94 HydrophobicContact CB-CZ3 3.75Å; K64-W94 HydrophobicContact CD-CB 4.44Å; K64-W94 HydrophobicContact CD-CD2 3.96Å; K64-W94 HydrophobicContact CD-CG 3.87Å; K64-W94 HydrophobicContact CG-CD2 4.32Å; K64-W94 HydrophobicContact CG-CE3 4.47Å; K64-W94 VanDerWaalsContact N-CH2 3.33Å; K64-D108 PolarHBondContact N-O 2.92Å
65Q82.5Confident84.5Confident80 Ų8053.1 Ų53.137%0.37430%0.295SS..EExtended strand (participates in β ladder)trans-118.6141.4179.4-61.1-178.29.800110.4D67 T68 L69Q65-D67 PolarHBondContact O-N 3Å; Q65-T68 PolarHBondContact O-N 3.34Å; Q65-L69 HydrophobicContact CB-CB 4.22Å; Q65-L69 HydrophobicContact CB-CD2 4.2Å; Q65-L69 PolarHBondContact N-O 3.26Å; Q65-L69 WeakPolarHBondContact O-CB 3.47Å; Q65-L69 PolarHBondContact O-N 3.06Å
66Q79.4Confident82.9Confident174 Ų17458.5 Ų58.581%0.81332%0.321SS*.THydrogen-bonded Turntrans49.134.9171.5-57.8-179.7-7.100114.4T68Q66-T68 PolarHBondContact O-N 3.41Å; Q66-T68 PolarHBondContact O-OG1 3.45Å; Q66-T68 VanDerWaalsContact O-OG1 3.12Å
67D81.6Confident81.3Confident76 Ų7665.5 Ų65.541%0.40636%0.359SS..THydrogen-bonded Turntrans59.2-5.7179.9-76.6-38.6000117.8Q65 K87 C90Q65-D67 PolarHBondContact O-N 3Å; D67-K87 HydrophobicContact CB-CD 3.84Å; D67-K87 HydrophobicContact CB-CG 4.2Å; D67-K87 VanDerWaalsContact CG-CE 3.48Å; D67-K87 IonicContact OD1-NZ 3.45Å; D67-K87 PolarHBondContact OD1-NZ 3.16Å; D67-K87 VanDerWaalsContact OD1-NZ 3.16Å; D67-K87 IonicContact OD2-NZ 2.99Å; D67-K87 PolarHBondContact OD2-NZ 3.02Å; D67-C90 WeakPolarHBondContact O-CB 3.24Å
68T89.1Confident80.8Confident45 Ų4570 Ų7028%0.27637%0.372SS..THydrogen-bonded Turntrans-138.53.4-170.452.70000113.6Q65 Q66 F84 K87Q65-T68 PolarHBondContact O-N 3.34Å; Q66-T68 PolarHBondContact O-N 3.41Å; Q66-T68 PolarHBondContact O-OG1 3.45Å; Q66-T68 VanDerWaalsContact O-OG1 3.12Å; T68-F84 WeakPolarHBondContact O-CB 3.2Å; T68-F84 WeakPolarHBondContact O-CD2 3.32Å; T68-F84 PolarHBondContact O-N 3.14Å; T68-K87 HydrophobicContact CG2-CB 4.13Å
69L90.7Very high81Confident36 Ų3669 Ų6919%0.18836%0.363CS..EExtended strand (participates in β ladder)trans-124.7134.9-179.5-169.372.5000109.9K64 Q65 V71 A81 L82K64-L69 CarbonylContact C-O 3.39Å; K64-L69 WeakPolarHBondContact CA-O 3.23Å; Q65-L69 HydrophobicContact CB-CB 4.22Å; Q65-L69 HydrophobicContact CB-CD2 4.2Å; Q65-L69 PolarHBondContact N-O 3.26Å; Q65-L69 WeakPolarHBondContact O-CB 3.47Å; Q65-L69 PolarHBondContact O-N 3.06Å; L69-V71 HydrophobicContact CD2-CG2 3.8Å; L69-V71 HydrophobicContact CG-CG2 3.85Å; L69-A81 HydrophobicContact CD1-CB 4.31Å; L69-L82 WeakPolarHBondContact CA-O 3.39Å
70I92.2Very high81.5Confident0 Ų062.5 Ų62.50%033%0.328CS..EExtended strand (participates in β ladder)trans-122.7124.2170.8-60.2174.3000108.2Y62 Q63 W72 A81 L82 F84 I93 W94 I97Y62-I70 HydrophobicContact CD1-CG2 4.36Å; Q63-I70 CarbonylContact O-C 3.51Å; Q63-I70 WeakPolarHBondContact O-CA 3.29Å; I70-W72 HydrophobicContact CG2-CE3 4.08Å; I70-W72 HydrophobicContact CG2-CZ3 4.26Å; I70-A81 CarbonylContact O-C 3.38Å; I70-A81 WeakPolarHBondContact O-CA 3.3Å; I70-L82 PolarHBondContact N-O 2.94Å; I70-L82 PolarHBondContact O-N 3.45Å; I70-F84 HydrophobicContact CB-CE2 4.32Å; I70-F84 HydrophobicContact CD1-CE2 3.7Å; I70-F84 HydrophobicContact CD1-CZ 3.93Å; I70-F84 HydrophobicContact CG1-CE2 3.94Å; I70-I93 HydrophobicContact CD1-CB 4.36Å; I70-I93 HydrophobicContact CD1-CG2 4.06Å; I70-W94 HydrophobicContact CD1-CB 4.3Å; I70-W94 HydrophobicContact CD1-CE3 3.98Å; I70-W94 HydrophobicContact CG1-CE3 4.05Å; I70-W94 HydrophobicContact CG2-CE3 4.24Å; I70-W94 HydrophobicContact CG2-CZ3 4.09Å; I70-I97 HydrophobicContact CD1-CD1 4.23Å; I70-I97 HydrophobicContact CG2-CD1 4.09Å
71V91Very high81.9Confident22 Ų2261.6 Ų61.613%0.13332%0.323CS..EExtended strand (participates in β ladder)trans-123.2138.8-177.2-169.40000109.9W19 Q63 L69 L80 A81W19-V71 HydrophobicContact CH2-CG1 3.94Å; W19-V71 HydrophobicContact CZ2-CG1 4.3Å; Q63-V71 PolarHBondContact N-O 3.27Å; Q63-V71 PolarHBondContact O-N 3.01Å; L69-V71 HydrophobicContact CD2-CG2 3.8Å; L69-V71 HydrophobicContact CG-CG2 3.85Å; V71-L80 WeakPolarHBondContact CA-O 3.49Å; V71-L80 WeakPolarHBondContact CG1-O 3.46Å; V71-A81 HydrophobicContact CG1-CB 4.4Å; V71-A81 HydrophobicContact CG2-CB 3.96Å
72W91.4Very high82.3Confident4 Ų460.6 Ų60.62%0.01532%0.315CS..EExtended strand (participates in β ladder)trans-157.8163.917472.198.3000111.3L40 L52 S54 T60 A61 Y62 I70 L80 L82L40-W72 HydrophobicContact CD1-CH2 4.15Å; L40-W72 HydrophobicContact CD1-CZ2 4.42Å; L52-W72 HydrophobicContact CD2-CH2 3.9Å; L52-W72 HydrophobicContact CD2-CZ2 4.05Å; S54-W72 PolarHBondContact OG-NE1 3.33Å; T60-W72 HydrophobicContact CG2-CB 4.12Å; T60-W72 HydrophobicContact CG2-CG 4.42Å; A61-W72 WeakPolarHBondContact O-CB 3.44Å; Y62-W72 HydrophobicContact CD1-CB 3.48Å; Y62-W72 VanDerWaalsContact CD1-CB 3.48Å; Y62-W72 AromaticContact CD1-CD2 3.73Å; Y62-W72 HydrophobicContact CD1-CD2 3.73Å; Y62-W72 AromaticContact CD1-CE3 3.93Å; Y62-W72 HydrophobicContact CD1-CE3 3.93Å; Y62-W72 AromaticContact CD1-CG 3.55Å; Y62-W72 HydrophobicContact CD1-CG 3.55Å; Y62-W72 HydrophobicContact CE1-CB 3.72Å; Y62-W72 AromaticContact CE1-CD1 3.64Å; Y62-W72 AromaticContact CE1-CD2 3.45Å; Y62-W72 HydrophobicContact CE1-CD2 3.45Å; Y62-W72 VanDerWaalsContact CE1-CD2 3.45Å; Y62-W72 AromaticContact CE1-CE2 3.86Å; Y62-W72 HydrophobicContact CE1-CE3 4.01Å; Y62-W72 AromaticContact CE1-CG 3.3Å; Y62-W72 HydrophobicContact CE1-CG 3.3Å; Y62-W72 AromaticContact CE1-NE1 3.93Å; Y62-W72 HydrophobicContact CG-CB 4.07Å; I70-W72 HydrophobicContact CG2-CE3 4.08Å; I70-W72 HydrophobicContact CG2-CZ3 4.26Å; W72-L80 HydrophobicContact CD2-CB 4.09Å; W72-L80 HydrophobicContact CE3-CB 4.41Å; W72-L80 HydrophobicContact CH2-CB 4.18Å; W72-L80 HydrophobicContact CZ2-CB 3.83Å; W72-L80 HydrophobicContact CZ2-CD1 3.83Å; W72-L80 HydrophobicContact CZ2-CG 4.45Å; W72-L80 HydrophobicContact CZ3-CB 4.45Å; W72-L80 PolarHBondContact N-O 3.04Å; W72-L80 PolarHBondContact O-N 3.34Å; W72-L82 HydrophobicContact CH2-CD1 3.76Å; W72-L82 HydrophobicContact CH2-CG 3.72Å; W72-L82 HydrophobicContact CZ3-CB 4.44Å; W72-L82 HydrophobicContact CZ3-CD1 3.97Å; W72-L82 HydrophobicContact CZ3-CG 3.78Å
73S83.5Confident82.5Confident63 Ų6362.4 Ų62.444%0.44133%0.328SS..EExtended strand (participates in β ladder)trans-109.4133.5175.9-43.70000110.4T60 Y78 D79T60-S73 WeakPolarHBondContact CG2-O 3.48Å; S73-Y78 CarbonylContact C-O 3.56Å; S73-Y78 WeakPolarHBondContact CA-O 3.36Å; S73-D79 VanDerWaalsContact CB-OD1 3.25Å; S73-D79 WeakPolarHBondContact CB-OD1 3.46Å; S73-D79 PolarHBondContact OG-OD1 3.18Å
74E78.3Confident82.7Confident53 Ų5359.9 Ų59.925%0.24832%0.316CS..  trans-116.3108.8179.2-169.2164-159.800110.7S54 Y78 L80S54-E74 VanDerWaalsContact CB-OE2 3.31Å; S54-E74 WeakPolarHBondContact CB-OE2 3.44Å; S54-E74 VanDerWaalsContact OG-CD 3.25Å; S54-E74 PolarHBondContact OG-OE1 2.94Å; S54-E74 PolarHBondContact OG-OE2 2.86Å; E74-Y78 PolarHBondContact N-O 2.67Å; E74-Y78 WeakPolarHBondContact O-CB 3.38Å; E74-L80 HydrophobicContact CB-CD1 4.05Å
75A62.8Low82.8Confident88 Ų8863.7 Ų63.773%0.72733%0.334SS*.SBendtrans58.8172.7-170.900000113.7N77A75-N77 PolarHBondContact O-N 3.31Å
76E54Low83.1Confident174 Ų17463.1 Ų63.181%0.81333%0.332SS*.THydrogen-bonded Turntrans-57.66.5-161.7-76.7178.8-173.200118.2
77N54.8Low83.5Confident152 Ų15259.3 Ų59.381%0.81331%0.312SS*.THydrogen-bonded Turntrans-16830174.6-88.3-43.1000116A75A75-N77 PolarHBondContact O-N 3.31Å
78Y72.7Confident83.8Confident144 Ų14457.6 Ų57.657%0.56531%0.309SS*.  trans-125.7103.2176.7-75.2-91.6000112.8S73 E74S73-Y78 CarbonylContact C-O 3.56Å; S73-Y78 WeakPolarHBondContact CA-O 3.36Å; E74-Y78 PolarHBondContact N-O 2.67Å; E74-Y78 WeakPolarHBondContact O-CB 3.38Å
79D84.8Confident83.7Confident54 Ų5455.5 Ų55.529%0.28930%0.296SS..EExtended strand (participates in β ladder)trans-87.3128.7171.7-63.8-37.8000111.1T12 L13 W19 S73T12-D79 WeakPolarHBondContact CA-O 3.39Å; L13-D79 HydrophobicContact CB-CB 3.74Å; L13-D79 HydrophobicContact CD2-CB 4.21Å; L13-D79 VanDerWaalsContact CD2-OD2 3.28Å; L13-D79 WeakPolarHBondContact CD2-OD2 3.3Å; L13-D79 PolarHBondContact N-O 3.29Å; W19-D79 HydrophobicContact CH2-CB 3.84Å; W19-D79 HydrophobicContact CZ3-CB 4.32Å; S73-D79 VanDerWaalsContact CB-OD1 3.25Å; S73-D79 WeakPolarHBondContact CB-OD1 3.46Å; S73-D79 PolarHBondContact OG-OD1 3.18Å
80L89.3Confident83.7Confident11 Ų1153.8 Ų53.86%0.05829%0.287CS..EExtended strand (participates in β ladder)trans-121.6140-176.1-71.2165.5000109.9Y11 T12 L52 V71 W72 E74Y11-L80 WeakPolarHBondContact O-CA 3.36Å; T12-L80 HydrophobicContact CG2-CD2 3.45Å; T12-L80 VanDerWaalsContact CG2-CD2 3.45Å; L52-L80 HydrophobicContact CD1-CD1 4.19Å; L52-L80 HydrophobicContact CD1-CD2 3.97Å; V71-L80 WeakPolarHBondContact CA-O 3.49Å; V71-L80 WeakPolarHBondContact CG1-O 3.46Å; W72-L80 HydrophobicContact CD2-CB 4.09Å; W72-L80 HydrophobicContact CE3-CB 4.41Å; W72-L80 HydrophobicContact CH2-CB 4.18Å; W72-L80 HydrophobicContact CZ2-CB 3.83Å; W72-L80 HydrophobicContact CZ2-CD1 3.83Å; W72-L80 HydrophobicContact CZ2-CG 4.45Å; W72-L80 HydrophobicContact CZ3-CB 4.45Å; W72-L80 PolarHBondContact N-O 3.04Å; W72-L80 PolarHBondContact O-N 3.34Å; E74-L80 HydrophobicContact CB-CD1 4.05Å
81A92.4Very high83.6Confident4 Ų456 Ų563%0.03330%0.299CS..EExtended strand (participates in β ladder)trans-135.1138.7172.200000112.1Y11 W19 L69 I70 V71Y11-A81 PolarHBondContact N-O 3Å; Y11-A81 PolarHBondContact O-N 3.13Å; W19-A81 HydrophobicContact CE3-CB 4.33Å; W19-A81 HydrophobicContact CH2-CB 3.92Å; W19-A81 HydrophobicContact CZ3-CB 3.74Å; L69-A81 HydrophobicContact CD1-CB 4.31Å; I70-A81 CarbonylContact O-C 3.38Å; I70-A81 WeakPolarHBondContact O-CA 3.3Å; V71-A81 HydrophobicContact CG1-CB 4.4Å; V71-A81 HydrophobicContact CG2-CB 3.96Å
82L92.3Very high83.6Confident1 Ų158 Ų581%0.00531%0.307CS..EExtended strand (participates in β ladder)trans-111.9114.1170-66.9179.9000109.4V8 V10 V27 L40 V42 L52 L69 I70 W72 F84V8-L82 HydrophobicContact CG2-CD2 4.14Å; V10-L82 HydrophobicContact CB-CD2 4.29Å; V10-L82 HydrophobicContact CG1-CD2 4.23Å; V10-L82 HydrophobicContact CG2-CD2 3.74Å; V27-L82 HydrophobicContact CG2-CD1 4.18Å; L40-L82 HydrophobicContact CD1-CD1 4.38Å; V42-L82 HydrophobicContact CG2-CD2 3.88Å; L52-L82 HydrophobicContact CD2-CD2 3.93Å; L52-L82 HydrophobicContact CD2-CG 4.47Å; L69-L82 WeakPolarHBondContact CA-O 3.39Å; I70-L82 PolarHBondContact N-O 2.94Å; I70-L82 PolarHBondContact O-N 3.45Å; W72-L82 HydrophobicContact CH2-CD1 3.76Å; W72-L82 HydrophobicContact CH2-CG 3.72Å; W72-L82 HydrophobicContact CZ3-CB 4.44Å; W72-L82 HydrophobicContact CZ3-CD1 3.97Å; W72-L82 HydrophobicContact CZ3-CG 3.78Å; L82-F84 HydrophobicContact CB-CD2 4.34Å; L82-F84 HydrophobicContact CB-CE2 3.66Å; L82-F84 HydrophobicContact CB-CZ 4.26Å; L82-F84 HydrophobicContact CD1-CZ 4.4Å; L82-F84 WeakPolarHBondContact O-CD2 3.49Å
83S93Very high83.6Confident40 Ų4058.1 Ų58.128%0.2831%0.308SS..EExtended strand (participates in β ladder)trans-98.6115173.7179.90000109.6V8 K9V8-S83 CarbonylContact C-O 3.59Å; V8-S83 WeakPolarHBondContact CA-O 3.44Å; K9-S83 PolarHBondContact N-O 3.38Å; K9-S83 PolarHBondContact O-N 2.78Å
84F93.5Very high84Confident8 Ų855.2 Ų55.24%0.03529%0.287CS..EExtended strand (participates in β ladder)trans-89.3137.9-176.8-66.8-106.7000110.8V8 V27 T68 I70 L82 E86 G89 C90 I93V8-F84 HydrophobicContact CG1-CB 4.36Å; V8-F84 HydrophobicContact CG1-CD1 3.35Å; V8-F84 HydrophobicContact CG1-CD2 4.14Å; V8-F84 HydrophobicContact CG1-CE1 3.53Å; V8-F84 HydrophobicContact CG1-CE2 4.25Å; V8-F84 HydrophobicContact CG1-CG 3.69Å; V8-F84 HydrophobicContact CG1-CZ 3.97Å; V27-F84 HydrophobicContact CG1-CD1 4.44Å; V27-F84 HydrophobicContact CG1-CE1 3.63Å; V27-F84 HydrophobicContact CG1-CZ 4.23Å; T68-F84 WeakPolarHBondContact O-CB 3.2Å; T68-F84 WeakPolarHBondContact O-CD2 3.32Å; T68-F84 PolarHBondContact O-N 3.14Å; I70-F84 HydrophobicContact CB-CE2 4.32Å; I70-F84 HydrophobicContact CD1-CE2 3.7Å; I70-F84 HydrophobicContact CD1-CZ 3.93Å; I70-F84 HydrophobicContact CG1-CE2 3.94Å; L82-F84 HydrophobicContact CB-CD2 4.34Å; L82-F84 HydrophobicContact CB-CE2 3.66Å; L82-F84 HydrophobicContact CB-CZ 4.26Å; L82-F84 HydrophobicContact CD1-CZ 4.4Å; L82-F84 WeakPolarHBondContact O-CD2 3.49Å; F84-E86 VanDerWaalsContact C-N 3.31Å; F84-G89 WeakPolarHBondContact CE1-O 3.3Å; F84-C90 HydrophobicContact CB-CB 3.95Å; F84-C90 HydrophobicContact CD1-CB 4.07Å; F84-C90 VanDerWaalsContact CD1-N 3.31Å; F84-C90 HydrophobicContact CD2-CB 3.84Å; F84-C90 HydrophobicContact CE2-CB 4.37Å; F84-C90 HydrophobicContact CG-CB 3.69Å; F84-I93 HydrophobicContact CE1-CB 4.07Å; F84-I93 HydrophobicContact CE1-CG1 3.72Å; F84-I93 HydrophobicContact CZ-CB 3.87Å; F84-I93 HydrophobicContact CZ-CG1 3.94Å; F84-I93 HydrophobicContact CZ-CG2 4.08Å
85Q89.1Confident84.6Confident108 Ų10858.2 Ų58.251%0.50530%0.301SS..SBendtrans-69.9-31.3173.7-176.6168.4-2.300112.4R7R7-Q85 HydrophobicContact CB-CB 4.45Å; R7-Q85 VanDerWaalsContact CD-OE1 3.26Å; R7-Q85 PolarHBondContact O-N 3.01Å
86E88.8Confident85.8Confident69 Ų6957.4 Ų57.432%0.32228%0.281SS..SBendtrans-127.4131.9-178.9-66.5-178.9-16100111T4 R5 F84 A88 G89 C90T4-E86 VanDerWaalsContact CB-OE1 3.31Å; T4-E86 WeakPolarHBondContact CB-OE1 3.22Å; T4-E86 PolarHBondContact OG1-OE1 2.9Å; R5-E86 WeakPolarHBondContact CA-OE2 3.1Å; F84-E86 VanDerWaalsContact C-N 3.31Å; E86-A88 PolarHBondContact O-N 2.88Å; E86-G89 PolarHBondContact O-N 3.39Å; E86-C90 PolarHBondContact O-N 2.63Å
87K88.3Confident87.5Confident93 Ų9349.1 Ų49.140%0.40424%0.243SC..Hα-helixtrans-52.1-41.2175176.3173.2-174.7166.30112.6D67 T68 G89 C90 D91D67-K87 HydrophobicContact CB-CD 3.84Å; D67-K87 HydrophobicContact CB-CG 4.2Å; D67-K87 VanDerWaalsContact CG-CE 3.48Å; D67-K87 IonicContact OD1-NZ 3.45Å; D67-K87 PolarHBondContact OD1-NZ 3.16Å; D67-K87 VanDerWaalsContact OD1-NZ 3.16Å; D67-K87 IonicContact OD2-NZ 2.99Å; D67-K87 PolarHBondContact OD2-NZ 3.02Å; T68-K87 HydrophobicContact CG2-CB 4.13Å; K87-G89 PolarHBondContact O-N 2.88Å; K87-G89 VanDerWaalsContact O-N 3.13Å; K87-C90 WeakPolarHBondContact O-CA 3.33Å; K87-C90 WeakPolarHBondContact O-CB 3.3Å; K87-C90 PolarHBondContact O-N 2.94Å; K87-D91 WeakPolarHBondContact CG-OD2 3.27Å; K87-D91 PolarHBondContact O-N 3.47Å
88A87.5Confident89Confident40 Ų4041.9 Ų41.933%0.33120%0.204SC..Hα-helixtrans-63.6-20.3-178.900000114.3R5 E86R5-A88 PolarHBondContact NE-O 3.15Å; R5-A88 VanDerWaalsContact NE-O 3.15Å; R5-A88 PolarHBondContact NH2-O 3.47Å; E86-A88 PolarHBondContact O-N 2.88Å
89G88.3Confident89.7Confident1 Ų141.3 Ų41.31%0.0121%0.206CC..Hα-helixtrans-85.1-38.1170.800000112.8R5 F84 E86 K87 E92 I93R5-G89 WeakPolarHBondContact O-CA 3.39Å; F84-G89 WeakPolarHBondContact CE1-O 3.3Å; E86-G89 PolarHBondContact O-N 3.39Å; K87-G89 PolarHBondContact O-N 2.88Å; K87-G89 VanDerWaalsContact O-N 3.13Å; G89-E92 PolarHBondContact O-N 2.98Å; G89-I93 PolarHBondContact O-N 3.5Å; G89-I93 VanDerWaalsContact O-N 3.16Å
90C90.4Very high89.8Confident0 Ų041 Ų410%021%0.206CC..Hα-helixtrans-60-47.3173.2-171.50000110.8D67 F84 E86 K87 E92 I93 W94D67-C90 WeakPolarHBondContact O-CB 3.24Å; F84-C90 HydrophobicContact CB-CB 3.95Å; F84-C90 HydrophobicContact CD1-CB 4.07Å; F84-C90 VanDerWaalsContact CD1-N 3.31Å; F84-C90 HydrophobicContact CD2-CB 3.84Å; F84-C90 HydrophobicContact CE2-CB 4.37Å; F84-C90 HydrophobicContact CG-CB 3.69Å; E86-C90 PolarHBondContact O-N 2.63Å; K87-C90 WeakPolarHBondContact O-CA 3.33Å; K87-C90 WeakPolarHBondContact O-CB 3.3Å; K87-C90 PolarHBondContact O-N 2.94Å; C90-E92 VanDerWaalsContact C-N 3.34Å; C90-E92 PolarHBondContact O-N 3.17Å; C90-I93 PolarHBondContact O-N 3.33Å; C90-W94 VanDerWaalsContact O-CB 3.25Å; C90-W94 WeakPolarHBondContact O-CB 3.24Å; C90-W94 PolarHBondContact O-N 2.93Å
91D89.4Confident89.6Confident48 Ų4841.4 Ų41.426%0.25721%0.208SC..Hα-helixtrans-60.6-41178.8-67.7-23.1000111.9K64 K87 W94 E95K64-D91 WeakPolarHBondContact CE-OD1 3.38Å; K64-D91 IonicContact NZ-OD1 3.99Å; K64-D91 PolarHBondContact NZ-OD1 2.84Å; K87-D91 WeakPolarHBondContact CG-OD2 3.27Å; K87-D91 PolarHBondContact O-N 3.47Å; D91-W94 PolarHBondContact O-N 3.44Å; D91-E95 WeakPolarHBondContact O-CB 3.35Å; D91-E95 WeakPolarHBondContact O-CG 3.32Å; D91-E95 PolarHBondContact O-N 3.03Å
92E90.3Very high89.1Confident62 Ų6244.5 Ų44.529%0.2924%0.24SC..Hα-helixtrans-64.1-43.1178.8-174.1-174.1167.100112R5 R6 G89 C90 K96R5-E92 IonicContact NE-OE2 3.79Å; R6-E92 IonicContact CZ-OE1 2.89Å; R6-E92 IonicContact NE-OE1 3.04Å; R6-E92 IonicContact NE-OE2 3.44Å; R6-E92 IonicContact NH2-OE1 3.48Å; R6-E92 PolarHBondContact NH2-OE1 2.9Å; R6-E92 IonicContact NH2-OE2 2.95Å; G89-E92 PolarHBondContact O-N 2.98Å; C90-E92 VanDerWaalsContact C-N 3.34Å; C90-E92 PolarHBondContact O-N 3.17Å; E92-K96 PolarHBondContact O-N 3.17Å
93I92.4Very high88.6Confident7 Ų748.5 Ų48.54%0.03626%0.258CS..Hα-helixtrans-72.2-38.4177.3-64.1-57.5000111V27 L40 I70 F84 G89 C90 K96 I97V27-I93 HydrophobicContact CG1-CD1 4.14Å; V27-I93 HydrophobicContact CG1-CG1 3.83Å; V27-I93 HydrophobicContact CG2-CD1 4.24Å; V27-I93 HydrophobicContact CG2-CG1 4.37Å; L40-I93 HydrophobicContact CD1-CG2 4.48Å; L40-I93 HydrophobicContact CD2-CG2 3.71Å; I70-I93 HydrophobicContact CD1-CB 4.36Å; I70-I93 HydrophobicContact CD1-CG2 4.06Å; F84-I93 HydrophobicContact CE1-CB 4.07Å; F84-I93 HydrophobicContact CE1-CG1 3.72Å; F84-I93 HydrophobicContact CZ-CB 3.87Å; F84-I93 HydrophobicContact CZ-CG1 3.94Å; F84-I93 HydrophobicContact CZ-CG2 4.08Å; G89-I93 PolarHBondContact O-N 3.5Å; G89-I93 VanDerWaalsContact O-N 3.16Å; C90-I93 PolarHBondContact O-N 3.33Å; I93-K96 WeakPolarHBondContact O-CB 3.24Å; I93-K96 PolarHBondContact O-N 3.44Å; I93-K96 VanDerWaalsContact O-N 3.14Å; I93-I97 HydrophobicContact CG2-CD1 4.04Å; I93-I97 HydrophobicContact CG2-CG1 4.49Å; I93-I97 WeakPolarHBondContact O-CG1 3.4Å; I93-I97 PolarHBondContact O-N 3.37Å
94W92.3Very high88Confident3 Ų351.4 Ų51.41%0.01127%0.27CS..Hα-helixtrans-62.1-49176.6-172.3-111.2000112.2Y62 K64 I70 C90 D91 K96 I97 C98 P105 V107 D108 T110Y62-W94 WeakPolarHBondContact O-CH2 3.4Å; K64-W94 HydrophobicContact CB-CD2 3.87Å; K64-W94 HydrophobicContact CB-CE3 3.85Å; K64-W94 HydrophobicContact CB-CH2 3.68Å; K64-W94 HydrophobicContact CB-CZ2 3.73Å; K64-W94 HydrophobicContact CB-CZ3 3.75Å; K64-W94 HydrophobicContact CD-CB 4.44Å; K64-W94 HydrophobicContact CD-CD2 3.96Å; K64-W94 HydrophobicContact CD-CG 3.87Å; K64-W94 HydrophobicContact CG-CD2 4.32Å; K64-W94 HydrophobicContact CG-CE3 4.47Å; K64-W94 VanDerWaalsContact N-CH2 3.33Å; I70-W94 HydrophobicContact CD1-CB 4.3Å; I70-W94 HydrophobicContact CD1-CE3 3.98Å; I70-W94 HydrophobicContact CG1-CE3 4.05Å; I70-W94 HydrophobicContact CG2-CE3 4.24Å; I70-W94 HydrophobicContact CG2-CZ3 4.09Å; C90-W94 VanDerWaalsContact O-CB 3.25Å; C90-W94 WeakPolarHBondContact O-CB 3.24Å; C90-W94 PolarHBondContact O-N 2.93Å; D91-W94 PolarHBondContact O-N 3.44Å; W94-K96 PolarHBondContact O-N 3.25Å; W94-K96 VanDerWaalsContact O-N 3.16Å; W94-I97 HydrophobicContact CE3-CD1 4.38Å; W94-I97 PolarHBondContact O-N 3.42Å; W94-I97 VanDerWaalsContact O-N 3.08Å; W94-C98 PolarHBondContact O-N 3Å; W94-C98 PolarHBondContact O-SG 2.94Å; W94-P105 PolarHBondContact NE1-O 2.94Å; W94-V107 WeakPolarHBondContact CZ2-O 3.33Å; W94-V107 PolarHBondContact NE1-O 2.9Å; W94-D108 WeakPolarHBondContact CH2-O 3.43Å; W94-D108 WeakPolarHBondContact CZ2-O 3.41Å; W94-T110 HydrophobicContact CH2-CG2 3.59Å; W94-T110 HydrophobicContact CZ2-CG2 3.64Å; W94-T110 HydrophobicContact CZ3-CG2 4.24Å
95E89.8Confident87.5Confident116 Ų11653.6 Ų53.654%0.54229%0.285SS..Hα-helixtrans-54-37.6173.2-81.9-178-172.200111.3D91 Q99 P105D91-E95 WeakPolarHBondContact O-CB 3.35Å; D91-E95 WeakPolarHBondContact O-CG 3.32Å; D91-E95 PolarHBondContact O-N 3.03Å; E95-Q99 WeakPolarHBondContact O-CB 3.49Å; E95-Q99 PolarHBondContact O-N 2.86Å; E95-P105 HydrophobicContact CG-CB 3.83Å; E95-P105 HydrophobicContact CG-CG 4.01Å
96K87.6Confident87Confident71 Ų7153 Ų5331%0.30929%0.293SS..Hα-helixtrans-71-39.5179.3-165.963.2-173.8174.70112.9S29 E92 I93 W94 Q99 V100S29-K96 VanDerWaalsContact OG-CG 3.27Å; S29-K96 WeakPolarHBondContact OG-CG 3.38Å; E92-K96 PolarHBondContact O-N 3.17Å; I93-K96 WeakPolarHBondContact O-CB 3.24Å; I93-K96 PolarHBondContact O-N 3.44Å; I93-K96 VanDerWaalsContact O-N 3.14Å; W94-K96 PolarHBondContact O-N 3.25Å; W94-K96 VanDerWaalsContact O-N 3.16Å; K96-Q99 PolarHBondContact O-N 3.25Å; K96-V100 VanDerWaalsContact O-CG2 3.31Å; K96-V100 WeakPolarHBondContact O-CG2 3.46Å; K96-V100 PolarHBondContact O-N 3.49Å
97I89.7Confident86.7Confident0 Ų052 Ų520%029%0.291CS..Hα-helixtrans-62.6-51.1173.4-66.6165.2000109.6L40 I56 Y62 I70 I93 W94 Q99 V100 Q101 T110L40-I97 HydrophobicContact CD1-CD1 4.15Å; I56-I97 HydrophobicContact CD1-CG1 3.92Å; I56-I97 HydrophobicContact CG1-CG1 4.44Å; I56-I97 HydrophobicContact CG2-CG2 4.25Å; Y62-I97 HydrophobicContact CD1-CD1 4.02Å; Y62-I97 HydrophobicContact CD1-CG2 4.26Å; Y62-I97 HydrophobicContact CD2-CG2 3.57Å; Y62-I97 HydrophobicContact CE1-CD1 4.48Å; Y62-I97 HydrophobicContact CE2-CG2 4.13Å; Y62-I97 HydrophobicContact CG-CD1 4.4Å; Y62-I97 HydrophobicContact CG-CG2 3.67Å; I70-I97 HydrophobicContact CD1-CD1 4.23Å; I70-I97 HydrophobicContact CG2-CD1 4.09Å; I93-I97 HydrophobicContact CG2-CD1 4.04Å; I93-I97 HydrophobicContact CG2-CG1 4.49Å; I93-I97 WeakPolarHBondContact O-CG1 3.4Å; I93-I97 PolarHBondContact O-N 3.37Å; W94-I97 HydrophobicContact CE3-CD1 4.38Å; W94-I97 PolarHBondContact O-N 3.42Å; W94-I97 VanDerWaalsContact O-N 3.08Å; I97-Q99 VanDerWaalsContact C-N 3.31Å; I97-Q99 PolarHBondContact O-N 3.11Å; I97-V100 PolarHBondContact O-N 2.89Å; I97-V100 VanDerWaalsContact O-N 3.11Å; I97-Q101 PolarHBondContact O-N 3.36Å; I97-T110 HydrophobicContact CG2-CG2 4.27Å
98C87.9Confident86.3Confident0 Ų052.8 Ų52.80%030%0.3CS..Hα-helixtrans-59.4-40.8177.8-67.90000112W94 V100 Q101 G102 K103 P105W94-C98 PolarHBondContact O-N 3Å; W94-C98 PolarHBondContact O-SG 2.94Å; C98-V100 PolarHBondContact O-N 3.43Å; C98-Q101 CarbonylContact O-C 3.59Å; C98-Q101 PolarHBondContact O-N 3.47Å; C98-G102 PolarHBondContact O-N 2.58Å; C98-K103 HydrophobicContact CB-CB 4.41Å; C98-K103 PolarHBondContact O-N 3.48Å; C98-P105 HydrophobicContact CB-CG 4.27Å
99Q86.8Confident86Confident131 Ų13154.8 Ų54.861%0.61230%0.304SS*.Hα-helixtrans-61.7-40.9175.4-177.3-179.253.400112.3E95 K96 I97 Q101E95-Q99 WeakPolarHBondContact O-CB 3.49Å; E95-Q99 PolarHBondContact O-N 2.86Å; K96-Q99 PolarHBondContact O-N 3.25Å; I97-Q99 VanDerWaalsContact C-N 3.31Å; I97-Q99 PolarHBondContact O-N 3.11Å; Q99-Q101 VanDerWaalsContact C-N 3.33Å
100V86Confident85.7Confident47 Ų4754.8 Ų54.829%0.28530%0.304SS..Hα-helixtrans-68.3-34.8177.4171.60000111.1T38 I56 K96 I97 C98T38-V100 HydrophobicContact CG2-CG2 4.08Å; I56-V100 HydrophobicContact CB-CG1 4.11Å; I56-V100 HydrophobicContact CD1-CG2 4.42Å; I56-V100 HydrophobicContact CG2-CB 3.97Å; I56-V100 HydrophobicContact CG2-CG1 3.72Å; K96-V100 VanDerWaalsContact O-CG2 3.31Å; K96-V100 WeakPolarHBondContact O-CG2 3.46Å; K96-V100 PolarHBondContact O-N 3.49Å; I97-V100 PolarHBondContact O-N 2.89Å; I97-V100 VanDerWaalsContact O-N 3.11Å; C98-V100 PolarHBondContact O-N 3.43Å
101Q85.3Confident84.8Confident20 Ų2057 Ų579%0.09331%0.314CS..Hα-helixtrans-89.4-4.5179.8-62.8-164.5-20.600114.7N57 T60 I97 C98 Q99 K103 T110N57-Q101 PolarHBondContact O-NE2 2.87Å; T60-Q101 PolarHBondContact O-NE2 3.45Å; I97-Q101 PolarHBondContact O-N 3.36Å; C98-Q101 CarbonylContact O-C 3.59Å; C98-Q101 PolarHBondContact O-N 3.47Å; Q99-Q101 VanDerWaalsContact C-N 3.33Å; Q101-K103 HydrophobicContact CB-CG 4.15Å; Q101-T110 PolarHBondContact OE1-OG1 3.48Å
102G81.7Confident83.1Confident70 Ų7063.1 Ų63.172%0.72234%0.342SS*.THydrogen-bonded Turntrans70.128.9-178.700000114.2C98C98-G102 PolarHBondContact O-N 2.58Å
103K82.8Confident81Confident85 Ų8564.3 Ų64.337%0.3735%0.353SS..  trans-106.7158.2-177.9-61.5-75.5178.71470111.2C98 Q101 T110 Q111C98-K103 HydrophobicContact CB-CB 4.41Å; C98-K103 PolarHBondContact O-N 3.48Å; Q101-K103 HydrophobicContact CB-CG 4.15Å; K103-T110 WeakPolarHBondContact CD-O 3.3Å; K103-T110 WeakPolarHBondContact CE-O 2.94Å; K103-T110 WeakPolarHBondContact CG-O 3.44Å; K103-T110 PolarHBondContact NZ-O 2.91Å; K103-T110 VanDerWaalsContact NZ-O 3.12Å; K103-Q111 VanDerWaalsContact NZ-OE1 3.13Å
104D79.7Confident78.6Confident100 Ų10068.9 Ų68.954%0.53538%0.381SS..  trans-73.4129.1174.7-167.9-53.7000109.8S106 V107D104-S106 PolarHBondContact O-N 3.38Å; D104-S106 VanDerWaalsContact OD1-CB 3.29Å; D104-S106 WeakPolarHBondContact OD1-CB 3.43Å; D104-S106 PolarHBondContact OD1-N 3.27Å; D104-S106 PolarHBondContact OD1-OG 3.48Å; D104-V107 VanDerWaalsContact O-CG2 3.26Å; D104-V107 WeakPolarHBondContact O-CG2 3.47Å; D104-V107 PolarHBondContact O-N 3.39Å
105P82.6Confident75.9Confident55 Ų5573.5 Ų73.536%0.35741%0.406SS..THydrogen-bonded Turntrans-59.9-12.3177.8-24.634.8000115.9W94 E95 C98 V107W94-P105 PolarHBondContact NE1-O 2.94Å; E95-P105 HydrophobicContact CG-CB 3.83Å; E95-P105 HydrophobicContact CG-CG 4.01Å; C98-P105 HydrophobicContact CB-CG 4.27Å; P105-V107 VanDerWaalsContact C-N 3.28Å
106S79.6Confident73.3Confident95 Ų9576 Ų7666%0.66442%0.418SS*.THydrogen-bonded Turntrans-76.9-7.8175.960.40000114.7D104D104-S106 PolarHBondContact O-N 3.38Å; D104-S106 VanDerWaalsContact OD1-CB 3.29Å; D104-S106 WeakPolarHBondContact OD1-CB 3.43Å; D104-S106 PolarHBondContact OD1-N 3.27Å; D104-S106 PolarHBondContact OD1-OG 3.48Å
107V82.2Confident71Confident48 Ų4874.9 Ų74.929%0.29142%0.418SS..  trans-78.7145.9174.8-53.70000111.1W94 D104 P105 I109 T110W94-V107 WeakPolarHBondContact CZ2-O 3.33Å; W94-V107 PolarHBondContact NE1-O 2.9Å; D104-V107 VanDerWaalsContact O-CG2 3.26Å; D104-V107 WeakPolarHBondContact O-CG2 3.47Å; D104-V107 PolarHBondContact O-N 3.39Å; P105-V107 VanDerWaalsContact C-N 3.28Å; V107-I109 WeakPolarHBondContact CG2-O 3.33Å; V107-T110 HydrophobicContact CG2-CG2 4.41Å
108D80.2Confident68.5Low109 Ų10984.4 Ų84.458%0.58346%0.463SS*.SBendtrans-85.9-19.8173.4-65.7-40.5000112.4Q63 K64 W94Q63-D108 WeakPolarHBondContact CA-O 3.34Å; K64-D108 PolarHBondContact N-O 2.92Å; W94-D108 WeakPolarHBondContact CH2-O 3.43Å; W94-D108 WeakPolarHBondContact CZ2-O 3.41Å
109I82.1Confident66.4Low82 Ų8291.6 Ų91.642%0.42150%0.496SS..BIsolated β-bridgetrans-135.8128.9178.7-53.6-177.5000109.1Y62 Q63 V107 Q111Y62-I109 WeakPolarHBondContact O-CA 3.3Å; Q63-I109 HydrophobicContact CB-CG1 4.43Å; Q63-I109 HydrophobicContact CG-CD1 4.24Å; Q63-I109 HydrophobicContact CG-CG1 4Å; Q63-I109 HydrophobicContact CG-CG2 4.14Å; V107-I109 WeakPolarHBondContact CG2-O 3.33Å; I109-Q111 WeakPolarHBondContact CG2-O 3.42Å
110T80.6Confident64.4Low1 Ų191.7 Ų91.71%0.00650%0.497CS..SBendtrans-86.4-29.6-171.163.70000114.4Y62 W94 I97 Q101 K103 V107Y62-T110 PolarHBondContact N-OG1 3.48Å; Y62-T110 PolarHBondContact O-N 3.42Å; W94-T110 HydrophobicContact CH2-CG2 3.59Å; W94-T110 HydrophobicContact CZ2-CG2 3.64Å; W94-T110 HydrophobicContact CZ3-CG2 4.24Å; I97-T110 HydrophobicContact CG2-CG2 4.27Å; Q101-T110 PolarHBondContact OE1-OG1 3.48Å; K103-T110 WeakPolarHBondContact CD-O 3.3Å; K103-T110 WeakPolarHBondContact CE-O 2.94Å; K103-T110 WeakPolarHBondContact CG-O 3.44Å; K103-T110 PolarHBondContact NZ-O 2.91Å; K103-T110 VanDerWaalsContact NZ-O 3.12Å; V107-T110 HydrophobicContact CG2-CG2 4.41Å
111Q71.3Confident62.1Low46 Ų46100.5 Ų100.522%0.21553%0.525CS..SBendtrans-132.7139.1172.1-59.9-63.9-1.700109.3P58 A61 K103 I109 V113P58-Q111 PolarHBondContact O-NE2 3.14Å; A61-Q111 HydrophobicContact CB-CB 4.18Å; A61-Q111 WeakPolarHBondContact CB-O 3.43Å; K103-Q111 VanDerWaalsContact NZ-OE1 3.13Å; I109-Q111 WeakPolarHBondContact CG2-O 3.42Å; Q111-V113 PolarHBondContact O-N 2.78Å
112E54.5Low59.9Low178 Ų178108.2 Ų108.283%0.83256%0.559SS**  trans-57124.3166.8-72.6176.5173.200107.4V114E112-V114 VanDerWaalsContact C-N 3.27Å; E112-V114 PolarHBondContact O-N 2.69Å
113V45.9Very low58Low86 Ų86109 Ų10952%0.52155%0.547SS..  trans-63.298.2172.6-177.90000105.2A61 Q111 D115A61-V113 HydrophobicContact CB-CG2 3.76Å; Q111-V113 PolarHBondContact O-N 2.78Å; V113-D115 PolarHBondContact O-N 3.16Å
114V41.9Very low55.8Low103 Ų103112.8 Ų112.862%0.62457%0.571SS**  trans-71.994.2166-175.20000103.7E112 E116E112-V114 VanDerWaalsContact C-N 3.27Å; E112-V114 PolarHBondContact O-N 2.69Å; V114-E116 PolarHBondContact O-N 2.93Å; V114-E116 VanDerWaalsContact O-N 3.1Å
115D37Very low53.7Low100 Ų100115.5 Ų115.554%0.53558%0.582SS.*  trans-58.8114.4173.6-152.5-13.9000106.7V113 S117V113-D115 PolarHBondContact O-N 3.16Å; D115-S117 PolarHBondContact O-N 3.19Å
116E34.5Very low52Low170 Ų170118.1 Ų118.179%0.79460%0.602SS**  trans-76.132.9171.5-71.4-172.416400110.6V114 E118V114-E116 PolarHBondContact O-N 2.93Å; V114-E116 VanDerWaalsContact O-N 3.1Å; E116-E118 PolarHBondContact O-N 3.31Å
117S38.8Very low50Low47 Ų47116.4 Ų116.433%0.32959%0.59SS.*  trans-7399.1145.357.90000108D115 E119 E120D115-S117 PolarHBondContact O-N 3.19Å; S117-E119 PolarHBondContact O-N 3.38Å; S117-E120 PolarHBondContact O-N 2.89Å
118E37.8Very low48Very low200 Ų200119.2 Ų119.294%0.93561%0.609SS**THydrogen-bonded Turntrans-62.836.8167.2-68.3-161.7142.900113.4E116E116-E118 PolarHBondContact O-N 3.31Å
119E44.4Very low46.8Very low150 Ų150117 Ų11770%0.70161%0.611SS**THydrogen-bonded Turntrans-113.5-13.6167.2-74.7-166.1167.900113.5S117 R156S117-E119 PolarHBondContact O-N 3.38Å; E119-R156 IonicContact OE2-NH2 2.95Å
120E43.1Very low45.8Very low134 Ų134115.8 Ų115.863%0.62661%0.605SS**G310 helixtrans-89.1-7.6-175-68.5-159.2156.500115.7S117 F122S117-E120 PolarHBondContact O-N 2.89Å; E120-F122 PolarHBondContact O-N 2.98Å; E120-F122 VanDerWaalsContact O-N 3.16Å
121R38.6Very low45.1Very low231 Ų231123.3 Ų123.387%0.87264%0.64SS**G310 helixtrans-81.417.6176.6-81.5-164.2-163.1-146.75.3115.3
122F38.7Very low45.2Very low182 Ų182121.9 Ų121.980%0.79863%0.634SS**G310 helixtrans-1198.8171.4-104-83000114.8E120E120-F122 PolarHBondContact O-N 2.98Å; E120-F122 VanDerWaalsContact O-N 3.16Å
123D41.3Very low46.3Very low88 Ų88114.5 Ų114.547%0.47160%0.602SS.*SBendtrans-105.99.6-174.6-117.89.5000116S127 K159D123-S127 VanDerWaalsContact OD1-CB 3.31Å; D123-S127 WeakPolarHBondContact OD1-CB 3.36Å; D123-S127 PolarHBondContact OD1-OG 2.95Å; D123-K159 IonicContact OD2-NZ 3.13Å
124D37.4Very low47.7Very low164 Ų164113.2 Ų113.288%0.87760%0.595SS**SBendtrans-108.525169-153.922.4000114
125M36.2Very low49.4Very low157 Ų157109.7 Ų109.777%0.77358%0.575SS**SBendtrans-14178.1167.9-101.5-72-163.500109.2S127M125-S127 PolarHBondContact O-N 3.24Å
126S46.3Very low51.5Low110 Ų110109.1 Ų109.177%0.76957%0.569SS**  trans41.668162.748.30000114.2
127S36.8Very low53.5Low59 Ų59104.2 Ų104.241%0.41355%0.548SS..PPolyproline II helixtrans-67.9134.9161.648.50000108D123 M125D123-S127 VanDerWaalsContact OD1-CB 3.31Å; D123-S127 WeakPolarHBondContact OD1-CB 3.36Å; D123-S127 PolarHBondContact OD1-OG 2.95Å; M125-S127 PolarHBondContact O-N 3.24Å
128P41.2Very low55.4Low107 Ų107107.8 Ų107.870%0.69556%0.563SS**PPolyproline II helixtrans-57.4148.3175-13.426.8000108.1
129G53.7Low57.5Low61 Ų61103.4 Ų103.463%0.62954%0.538SS*.PPolyproline II helixtrans-47.9149.7161.700000109.1E131G129-E131 PolarHBondContact O-N 3.48Å
130L62.9Low59.3Low57 Ų5796.5 Ų96.530%0.29851%0.506SS..  trans-58.394.8172.4-167.996.2000107.5L132 L146 K159 L160L130-L132 PolarHBondContact O-N 3.45Å; L130-L146 HydrophobicContact CD1-CD1 4.43Å; L130-K159 HydrophobicContact CB-CB 4.45Å; L130-L160 HydrophobicContact CD2-CB 3.98Å; L130-L160 HydrophobicContact CD2-CD1 3.88Å
131E64.6Low61.2Low159 Ų15996.2 Ų96.274%0.74351%0.505SS*.  trans-78.6115.6179.7-79.9-175.5176.700107.5G129G129-E131 PolarHBondContact O-N 3.48Å
132L73.9Confident63.4Low16 Ų1689.5 Ų89.58%0.08449%0.486CS..PPolyproline II helixtrans-67.8132.6174.8-73.1169000108.9L130 L143 L146 L160 A163 V164 Y169L130-L132 PolarHBondContact O-N 3.45Å; L132-L143 HydrophobicContact CD2-CD1 4.41Å; L132-L146 HydrophobicContact CD2-CD2 4.27Å; L132-L160 HydrophobicContact CD2-CD1 3.76Å; L132-A163 VanDerWaalsContact CD1-C 3.42Å; L132-A163 HydrophobicContact CD1-CB 3.66Å; L132-A163 HydrophobicContact CG-CB 3.82Å; L132-V164 HydrophobicContact CD1-CB 4.47Å; L132-V164 HydrophobicContact CD1-CG2 3.9Å; L132-V164 HydrophobicContact CD2-CG2 4.46Å; L132-Y169 HydrophobicContact CB-CD2 4.05Å; L132-Y169 HydrophobicContact CB-CE2 3.65Å; L132-Y169 HydrophobicContact CD1-CD1 4.34Å; L132-Y169 HydrophobicContact CD1-CD2 3.71Å; L132-Y169 HydrophobicContact CD1-CE2 4.11Å; L132-Y169 HydrophobicContact CD1-CG 3.86Å; L132-Y169 HydrophobicContact CG-CD2 4.49Å; L132-Y169 HydrophobicContact CG-CE2 4.42Å
133P76.4Confident65.5Low23 Ų2381 Ų8115%0.14945%0.449CS..PPolyproline II helixtrans-51.6145.9168.4-23.230.6000110.5C135 R139 L143 Y169P133-C135 PolarHBondContact O-N 3.42Å; P133-R139 HydrophobicContact CB-CB 4.49Å; P133-L143 HydrophobicContact CB-CD1 4.32Å; P133-L143 HydrophobicContact CG-CD1 3.99Å; P133-Y169 VanDerWaalsContact O-CE2 3.24Å; P133-Y169 WeakPolarHBondContact O-CE2 3.33Å; P133-Y169 VanDerWaalsContact O-CZ 3.3Å; P133-Y169 PolarHBondContact O-OH 3.12Å
134P76.3Confident67.6Low59 Ų5977.4 Ų77.438%0.38343%0.431SS..PPolyproline II helixtrans-59.5141.5172.625.5-32.8000110.2E136P134-E136 HydrophobicContact CB-CG 4.21Å; P134-E136 HydrophobicContact CG-CG 4.39Å; P134-E136 PolarHBondContact O-N 3.42Å
135C77.5Confident69.9Low29 Ų2976.1 Ų76.120%0.19642%0.42CS..SBendtrans-66.280.8177.3-580000110.7P133 Y169 K172P133-C135 PolarHBondContact O-N 3.42Å; C135-Y169 VanDerWaalsContact SG-CE1 3.53Å; C135-Y169 WeakPolarHBondContact SG-CE2 3.26Å; C135-K172 HydrophobicContact CB-CB 4Å; C135-K172 VanDerWaalsContact SG-CB 3.53Å
136E81.3Confident72.2Confident89 Ų8970.7 Ų70.742%0.41639%0.394SS..  trans-125.9144.8179.9-64.2179.4-179.300110.2P134 N138 R139 L140P134-E136 HydrophobicContact CB-CG 4.21Å; P134-E136 HydrophobicContact CG-CG 4.39Å; P134-E136 PolarHBondContact O-N 3.42Å; E136-N138 WeakPolarHBondContact CB-OD1 3.49Å; E136-N138 PolarHBondContact O-N 2.9Å; E136-N138 VanDerWaalsContact O-N 3.11Å; E136-N138 PolarHBondContact OE2-OD1 3.32Å; E136-R139 PolarHBondContact O-N 3.27Å; E136-L140 PolarHBondContact O-N 3.31Å
137L75.4Confident74.1Confident67 Ų6765.7 Ų65.735%0.35136%0.359SS..G310 helixtrans-55.3-31.6-176.7-114.7142.6000113.9L176 V179 N185L137-L176 HydrophobicContact CB-CD1 4.46Å; L137-L176 HydrophobicContact CD1-CD1 3.84Å; L137-L176 HydrophobicContact CG-CD1 3.96Å; L137-V179 HydrophobicContact CD1-CG1 4.44Å; L137-N185 WeakPolarHBondContact CD2-ND2 3.43Å
138N79Confident76.4Confident121 Ų12165.8 Ų65.865%0.64736%0.363SS*.G310 helixtrans-82.5-7.5179.760.2-11000114.2E136E136-N138 WeakPolarHBondContact CB-OD1 3.49Å; E136-N138 PolarHBondContact O-N 2.9Å; E136-N138 VanDerWaalsContact O-N 3.11Å; E136-N138 PolarHBondContact OE2-OD1 3.32Å
139R82.2Confident78.5Confident108 Ų10863.3 Ų63.341%0.40835%0.348SS..G310 helixtrans-117.48-179.4-64.4-166.9-173.8-145.11.3113.4P133 E136 E141 D142 L143P133-R139 HydrophobicContact CB-CB 4.49Å; E136-R139 PolarHBondContact O-N 3.27Å; R139-E141 VanDerWaalsContact C-N 3.31Å; R139-E141 PolarHBondContact O-N 2.84Å; R139-D142 PolarHBondContact O-N 3.23Å; R139-L143 PolarHBondContact O-N 3.3Å
140L82.1Confident79.9Confident6 Ų660.5 Ų60.53%0.03132%0.319CS..Hα-helixtrans-63.3-36.6179.6-77.6173.9000112.5E136 L143 A144 L176 Q191 L192 I195E136-L140 PolarHBondContact O-N 3.31Å; L140-L143 PolarHBondContact O-N 3.37Å; L140-A144 WeakPolarHBondContact O-CB 3.3Å; L140-A144 PolarHBondContact O-N 3.37Å; L140-L176 HydrophobicContact CD1-CD2 4.05Å; L140-L176 HydrophobicContact CD2-CD2 3.8Å; L140-L176 HydrophobicContact CG-CD2 4.05Å; L140-Q191 HydrophobicContact CB-CB 3.9Å; L140-Q191 HydrophobicContact CB-CG 4.38Å; L140-L192 HydrophobicContact CD1-CG 4.24Å; L140-L192 HydrophobicContact CD2-CD2 3.71Å; L140-L192 HydrophobicContact CD2-CG 4.08Å; L140-I195 HydrophobicContact CD2-CD1 3.69Å
141E83.1Confident80.8Confident127 Ų12760 Ų6059%0.59332%0.316SS*.Hα-helixtrans-65-47.9176.5-172.1175.6-166.300111.5R139 L143 A144 E145R139-E141 VanDerWaalsContact C-N 3.31Å; R139-E141 PolarHBondContact O-N 2.84Å; E141-L143 PolarHBondContact O-N 3.33Å; E141-A144 PolarHBondContact O-N 3.04Å; E141-E145 PolarHBondContact O-N 3.38Å
142D84.2Confident81.7Confident91 Ų9157.6 Ų57.649%0.48732%0.315SS..Hα-helixtrans-57.1-38.7174.9-61.5-23.5000111.4R139 L146R139-D142 PolarHBondContact O-N 3.23Å; D142-L146 WeakPolarHBondContact O-CB 3.24Å; D142-L146 PolarHBondContact O-N 3.36Å
143L84.1Confident82.2Confident4 Ų458.6 Ų58.62%0.02132%0.323CS..Hα-helixtrans-70.2-44.1179-163.685.9000112.1L132 P133 R139 L140 E141 E145 L146 V147 Y169 L173 I195L132-L143 HydrophobicContact CD2-CD1 4.41Å; P133-L143 HydrophobicContact CB-CD1 4.32Å; P133-L143 HydrophobicContact CG-CD1 3.99Å; R139-L143 PolarHBondContact O-N 3.3Å; L140-L143 PolarHBondContact O-N 3.37Å; E141-L143 PolarHBondContact O-N 3.33Å; L143-E145 VanDerWaalsContact C-N 3.32Å; L143-E145 PolarHBondContact O-N 3.29Å; L143-L146 PolarHBondContact O-N 2.91Å; L143-V147 WeakPolarHBondContact O-CG2 3.38Å; L143-V147 PolarHBondContact O-N 3.32Å; L143-Y169 HydrophobicContact CD1-CE1 3.99Å; L143-Y169 WeakPolarHBondContact CD1-OH 3.29Å; L143-Y169 HydrophobicContact CD2-CE1 3.76Å; L143-L173 HydrophobicContact CD2-CD1 4.43Å; L143-L173 HydrophobicContact CD2-CD2 3.8Å; L143-I195 HydrophobicContact CB-CD1 4.15Å; L143-I195 HydrophobicContact CB-CG1 4.45Å; L143-I195 HydrophobicContact CD2-CB 4.39Å; L143-I195 HydrophobicContact CD2-CD1 3.61Å; L143-I195 HydrophobicContact CD2-CG1 3.85Å; L143-I195 HydrophobicContact CD2-CG2 3.6Å; L143-I195 HydrophobicContact CG-CD1 4.34Å; L143-I195 HydrophobicContact CG-CG1 4.38Å
144A84.3Confident82.4Confident11 Ų1161.8 Ų61.89%0.09134%0.344CS..Hα-helixtrans-61.4-42.7177.700000111L140 E141 V147 A148 I195L140-A144 WeakPolarHBondContact O-CB 3.3Å; L140-A144 PolarHBondContact O-N 3.37Å; E141-A144 PolarHBondContact O-N 3.04Å; A144-V147 PolarHBondContact O-N 3.32Å; A144-A148 VanDerWaalsContact O-CB 3.3Å; A144-A148 WeakPolarHBondContact O-CB 3.31Å; A144-A148 PolarHBondContact O-N 2.9Å; A144-I195 HydrophobicContact CB-CD1 4.4Å; A144-I195 HydrophobicContact CB-CG1 3.92Å
145E85.6Confident82.6Confident138 Ų13863.6 Ų63.665%0.64535%0.35SS*.Hα-helixtrans-64.9-40.4175.6-168.8175.8-168.200111.9E141 L143 A148 S149E141-E145 PolarHBondContact O-N 3.38Å; L143-E145 VanDerWaalsContact C-N 3.32Å; L143-E145 PolarHBondContact O-N 3.29Å; E145-A148 PolarHBondContact O-N 3.39Å; E145-S149 VanDerWaalsContact O-CB 3.24Å; E145-S149 WeakPolarHBondContact O-CB 3.39Å; E145-S149 PolarHBondContact O-N 3.3Å; E145-S149 PolarHBondContact O-OG 2.71Å
146L85.9Confident82.9Confident43 Ų4367.2 Ų67.223%0.22536%0.359CS..Hα-helixtrans-61.6-45.1175.3-179.465.6000111.9L130 L132 D142 L143 S149 S150L130-L146 HydrophobicContact CD1-CD1 4.43Å; L132-L146 HydrophobicContact CD2-CD2 4.27Å; D142-L146 WeakPolarHBondContact O-CB 3.24Å; D142-L146 PolarHBondContact O-N 3.36Å; L143-L146 PolarHBondContact O-N 2.91Å; L146-S149 PolarHBondContact O-OG 2.59Å; L146-S149 VanDerWaalsContact O-OG 3.14Å; L146-S150 VanDerWaalsContact O-CB 3.27Å; L146-S150 WeakPolarHBondContact O-CB 3.34Å; L146-S150 PolarHBondContact O-N 3.49Å; L146-S150 VanDerWaalsContact O-N 3.16Å; L146-S150 PolarHBondContact O-OG 3.36Å
147V85.3Confident83.1Confident4 Ų467.7 Ų67.72%0.02436%0.357CS..Hα-helixtrans-65.3-50.1177.9176.10000109.9L143 A144 S149 S150 L151 L160L143-V147 WeakPolarHBondContact O-CG2 3.38Å; L143-V147 PolarHBondContact O-N 3.32Å; A144-V147 PolarHBondContact O-N 3.32Å; V147-S149 PolarHBondContact O-N 3.09Å; V147-S150 PolarHBondContact O-N 3.05Å; V147-S150 VanDerWaalsContact O-N 3.09Å; V147-L151 WeakPolarHBondContact O-CG 3.18Å; V147-L151 PolarHBondContact O-N 3.28Å; V147-L160 HydrophobicContact CB-CD2 4.39Å; V147-L160 HydrophobicContact CG1-CD2 4.3Å; V147-L160 HydrophobicContact CG2-CD2 4.19Å
148A84.8Confident83.5Confident61 Ų6168.9 Ų68.950%0.50436%0.361SS..Hα-helixtrans-60.4-42.1-178.800000112.9A144 E145 S150 P152A144-A148 VanDerWaalsContact O-CB 3.3Å; A144-A148 WeakPolarHBondContact O-CB 3.31Å; A144-A148 PolarHBondContact O-N 2.9Å; E145-A148 PolarHBondContact O-N 3.39Å; A148-S150 VanDerWaalsContact C-N 3.28Å; A148-S150 PolarHBondContact O-N 3.21Å; A148-P152 WeakPolarHBondContact O-CD 3.35Å
149S85.8Confident83.8Confident56 Ų5667.2 Ų67.239%0.39235%0.348SS..Hα-helixtrans-73.1-18.1177.863.50000113.9E145 L146 V147E145-S149 VanDerWaalsContact O-CB 3.24Å; E145-S149 WeakPolarHBondContact O-CB 3.39Å; E145-S149 PolarHBondContact O-N 3.3Å; E145-S149 PolarHBondContact O-OG 2.71Å; L146-S149 PolarHBondContact O-OG 2.59Å; L146-S149 VanDerWaalsContact O-OG 3.14Å; V147-S149 PolarHBondContact O-N 3.09Å
150S84.2Confident84Confident2 Ų262.1 Ų62.11%0.01433%0.329CS..Hα-helixtrans-86-28178-64.30000113.1L146 V147 A148 S153 R157L146-S150 VanDerWaalsContact O-CB 3.27Å; L146-S150 WeakPolarHBondContact O-CB 3.34Å; L146-S150 PolarHBondContact O-N 3.49Å; L146-S150 VanDerWaalsContact O-N 3.16Å; L146-S150 PolarHBondContact O-OG 3.36Å; V147-S150 PolarHBondContact O-N 3.05Å; V147-S150 VanDerWaalsContact O-N 3.09Å; A148-S150 VanDerWaalsContact C-N 3.28Å; A148-S150 PolarHBondContact O-N 3.21Å; S150-S153 PolarHBondContact O-N 3.09Å; S150-R157 VanDerWaalsContact O-CG 3.3Å; S150-R157 WeakPolarHBondContact O-CG 3.41Å
151L81.9Confident84.2Confident45 Ų4562 Ų6224%0.23633%0.329CS..THydrogen-bonded Turntrans-58.6-40.8-177.1-70.4172000114.9V147 S153 R157 L201 L202V147-L151 WeakPolarHBondContact O-CG 3.18Å; V147-L151 PolarHBondContact O-N 3.28Å; L151-S153 VanDerWaalsContact C-N 3.28Å; L151-S153 PolarHBondContact O-N 3.18Å; L151-R157 VanDerWaalsContact O-CD 3.24Å; L151-R157 WeakPolarHBondContact O-CD 3.37Å; L151-R157 WeakPolarHBondContact O-CG 3.21Å; L151-L201 HydrophobicContact CD1-CD1 4.32Å; L151-L201 HydrophobicContact CD2-CB 4.03Å; L151-L202 HydrophobicContact CD2-CD2 3.94Å
152P83Confident84.4Confident110 Ų11060 Ų6071%0.71432%0.322SS*.THydrogen-bonded Turntrans-69.5-22.4-179.3-21.634.2000114.3A148A148-P152 WeakPolarHBondContact O-CD 3.35Å
153S83.3Confident84.4Confident36 Ų3656.3 Ų56.325%0.25230%0.304SS..  trans-102.8117.1-174.6175.70000111.5S150 L151 L155 R156 R157S150-S153 PolarHBondContact O-N 3.09Å; L151-S153 VanDerWaalsContact C-N 3.28Å; L151-S153 PolarHBondContact O-N 3.18Å; S153-L155 VanDerWaalsContact C-N 3.31Å; S153-L155 PolarHBondContact O-N 3.09Å; S153-R156 PolarHBondContact O-N 3.36Å; S153-R157 WeakPolarHBondContact O-CG 3.41Å; S153-R157 PolarHBondContact O-N 2.94Å
154P80.2Confident84.6Confident91 Ų9156.3 Ų56.359%0.59130%0.304SS*.Hα-helixtrans-55.5-41.5-180-27.235.1000114.2E158P154-E158 PolarHBondContact O-N 2.83Å; P154-E158 VanDerWaalsContact O-N 3.16Å
155L82Confident84.6Confident96 Ų9660.5 Ų60.550%0.50332%0.322SS..Hα-helixtrans-67.4-41.9-179.9-173.470.5000111.8S153 E158 K159S153-L155 VanDerWaalsContact C-N 3.31Å; S153-L155 PolarHBondContact O-N 3.09Å; L155-E158 PolarHBondContact O-N 3.33Å; L155-K159 PolarHBondContact O-N 2.92Å; L155-K159 VanDerWaalsContact O-N 3.09Å
156R83Confident84.2Confident105 Ų10560.1 Ų60.140%0.39632%0.324SS..Hα-helixtrans-69.7-38.7178-62-175.7-161.4174.43.4111.5E119 S153 E158 K159 L160E119-R156 IonicContact OE2-NH2 2.95Å; S153-R156 PolarHBondContact O-N 3.36Å; R156-E158 VanDerWaalsContact C-N 3.28Å; R156-E158 PolarHBondContact O-N 3.46Å; R156-K159 PolarHBondContact O-N 3.45Å; R156-L160 VanDerWaalsContact O-CB 3.25Å; R156-L160 WeakPolarHBondContact O-CB 3.4Å; R156-L160 PolarHBondContact O-N 3.17Å
157R85.1Confident83.7Confident100 Ų10062 Ų6238%0.37733%0.331SS..Hα-helixtrans-55.9-43.3171.9-73-167-53.9168.87.9112.2S150 L151 S153 A161 L202S150-R157 VanDerWaalsContact O-CG 3.3Å; S150-R157 WeakPolarHBondContact O-CG 3.41Å; L151-R157 VanDerWaalsContact O-CD 3.24Å; L151-R157 WeakPolarHBondContact O-CD 3.37Å; L151-R157 WeakPolarHBondContact O-CG 3.21Å; S153-R157 WeakPolarHBondContact O-CG 3.41Å; S153-R157 PolarHBondContact O-N 2.94Å; R157-A161 WeakPolarHBondContact O-CB 3.42Å; R157-A161 PolarHBondContact O-N 3.2Å; R157-L202 HydrophobicContact CB-CD2 4.01Å; R157-L202 HydrophobicContact CG-CD2 4.02Å
158E84.4Confident83.5Confident91 Ų9163.7 Ų63.743%0.42535%0.35SS..Hα-helixtrans-67.2-46.3179.4180155.9-123.900112.2P154 L155 R156 L160 A161 L162 R204P154-E158 PolarHBondContact O-N 2.83Å; P154-E158 VanDerWaalsContact O-N 3.16Å; L155-E158 PolarHBondContact O-N 3.33Å; R156-E158 VanDerWaalsContact C-N 3.28Å; R156-E158 PolarHBondContact O-N 3.46Å; E158-L160 VanDerWaalsContact C-N 3.33Å; E158-L160 PolarHBondContact O-N 3.47Å; E158-A161 PolarHBondContact O-N 3.37Å; E158-L162 HydrophobicContact CG-CD1 4.27Å; E158-L162 WeakPolarHBondContact O-CG 3.44Å; E158-L162 PolarHBondContact O-N 2.85Å; E158-L162 VanDerWaalsContact O-N 3.13Å; E158-R204 IonicContact OE1-NH2 2.63Å; E158-R204 PolarHBondContact OE1-NH2 3.42Å
159K85.6Confident83.6Confident87 Ų8761 Ų6138%0.37833%0.327SS..Hα-helixtrans-60.3-42.5174.7-70.7-177.1179.6-178.60111.7D123 L130 L155 R156 A163D123-K159 IonicContact OD2-NZ 3.13Å; L130-K159 HydrophobicContact CB-CB 4.45Å; L155-K159 PolarHBondContact O-N 2.92Å; L155-K159 VanDerWaalsContact O-N 3.09Å; R156-K159 PolarHBondContact O-N 3.45Å; K159-A163 PolarHBondContact O-N 3.42Å; K159-A163 VanDerWaalsContact O-N 3.08Å
160L87.2Confident83.7Confident0 Ų058.6 Ų58.60%031%0.309CS..Hα-helixtrans-64.6-46.7178178.461.8000111.9L130 L132 V147 R156 E158 L162 A163 V164 L202L130-L160 HydrophobicContact CD2-CB 3.98Å; L130-L160 HydrophobicContact CD2-CD1 3.88Å; L132-L160 HydrophobicContact CD2-CD1 3.76Å; V147-L160 HydrophobicContact CB-CD2 4.39Å; V147-L160 HydrophobicContact CG1-CD2 4.3Å; V147-L160 HydrophobicContact CG2-CD2 4.19Å; R156-L160 VanDerWaalsContact O-CB 3.25Å; R156-L160 WeakPolarHBondContact O-CB 3.4Å; R156-L160 PolarHBondContact O-N 3.17Å; E158-L160 VanDerWaalsContact C-N 3.33Å; E158-L160 PolarHBondContact O-N 3.47Å; L160-L162 VanDerWaalsContact C-N 3.33Å; L160-L162 PolarHBondContact O-N 2.78Å; L160-A163 PolarHBondContact O-N 2.87Å; L160-V164 HydrophobicContact CD1-CG2 4.07Å; L160-V164 HydrophobicContact CG-CG2 4.44Å; L160-V164 WeakPolarHBondContact O-CG2 3.4Å; L160-V164 PolarHBondContact O-N 2.86Å; L160-L202 HydrophobicContact CD2-CD1 4.21Å; L160-L202 HydrophobicContact CD2-CD2 4.18Å; L160-L202 HydrophobicContact CG-CD1 4.15Å
161A86.3Confident84Confident4 Ų465 Ų653%0.03333%0.333CS..Hα-helixtrans-58.5-45.1178.400000112.1R157 E158 A163 V164 E165 L202 R204 L207R157-A161 WeakPolarHBondContact O-CB 3.42Å; R157-A161 PolarHBondContact O-N 3.2Å; E158-A161 PolarHBondContact O-N 3.37Å; A161-A163 VanDerWaalsContact C-N 3.35Å; A161-A163 PolarHBondContact O-N 3Å; A161-V164 PolarHBondContact O-N 3.33Å; A161-E165 WeakPolarHBondContact O-CB 3.45Å; A161-E165 PolarHBondContact O-N 3.3Å; A161-L202 HydrophobicContact CB-CD1 4.21Å; A161-R204 HydrophobicContact CB-CG 3.92Å; A161-L207 HydrophobicContact CB-CD1 4.21Å
162L86Confident84.4Confident86 Ų8667.5 Ų67.545%0.4534%0.342SS..Hα-helixtrans-63.5-38.4177-75166.4000112.5E158 L160 N166E158-L162 HydrophobicContact CG-CD1 4.27Å; E158-L162 WeakPolarHBondContact O-CG 3.44Å; E158-L162 PolarHBondContact O-N 2.85Å; E158-L162 VanDerWaalsContact O-N 3.13Å; L160-L162 VanDerWaalsContact C-N 3.33Å; L160-L162 PolarHBondContact O-N 2.78Å; L162-N166 WeakPolarHBondContact O-CB 3.26Å; L162-N166 PolarHBondContact O-N 3.35Å; L162-N166 VanDerWaalsContact O-N 3.14Å; L162-N166 PolarHBondContact O-ND2 3.21Å
163A85.3Confident84.8Confident13 Ų1362.2 Ų62.211%0.10731%0.308CS..Hα-helixtrans-66.8-44.4177.600000111.4L132 K159 L160 A161 E165 E167L132-A163 VanDerWaalsContact CD1-C 3.42Å; L132-A163 HydrophobicContact CD1-CB 3.66Å; L132-A163 HydrophobicContact CG-CB 3.82Å; K159-A163 PolarHBondContact O-N 3.42Å; K159-A163 VanDerWaalsContact O-N 3.08Å; L160-A163 PolarHBondContact O-N 2.87Å; A161-A163 VanDerWaalsContact C-N 3.35Å; A161-A163 PolarHBondContact O-N 3Å; A163-E165 VanDerWaalsContact C-N 3.32Å; A163-E165 PolarHBondContact O-N 2.73Å; A163-E167 PolarHBondContact O-N 3.43Å
164V86.7Confident85.2Confident3 Ų360.7 Ų60.72%0.01830%0.297CS..Hα-helixtrans-64.1-39.3179.3173.10000111.2L132 L160 A161 Y169 I170 I199 L207L132-V164 HydrophobicContact CD1-CB 4.47Å; L132-V164 HydrophobicContact CD1-CG2 3.9Å; L132-V164 HydrophobicContact CD2-CG2 4.46Å; L160-V164 HydrophobicContact CD1-CG2 4.07Å; L160-V164 HydrophobicContact CG-CG2 4.44Å; L160-V164 WeakPolarHBondContact O-CG2 3.4Å; L160-V164 PolarHBondContact O-N 2.86Å; A161-V164 PolarHBondContact O-N 3.33Å; V164-Y169 PolarHBondContact O-N 3.46Å; V164-I170 HydrophobicContact CG1-CD1 4.03Å; V164-I170 HydrophobicContact CG1-CG1 3.74Å; V164-I199 HydrophobicContact CG1-CD1 4.38Å; V164-I199 HydrophobicContact CG1-CG2 4.46Å; V164-L207 HydrophobicContact CB-CD2 4.25Å; V164-L207 HydrophobicContact CG1-CD2 3.81Å
165E84.6Confident85.7Confident100 Ų10062.2 Ų62.247%0.46730%0.296SS..Hα-helixtrans-65.1-50.6178.7-174.4179.8175.600112.3A161 A163 E167 A206 L207A161-E165 WeakPolarHBondContact O-CB 3.45Å; A161-E165 PolarHBondContact O-N 3.3Å; A163-E165 VanDerWaalsContact C-N 3.32Å; A163-E165 PolarHBondContact O-N 2.73Å; E165-E167 VanDerWaalsContact C-N 3.33Å; E165-E167 PolarHBondContact O-N 3.41Å; E165-A206 HydrophobicContact CG-CB 4.23Å; E165-A206 WeakPolarHBondContact OE1-CB 3.34Å; E165-L207 HydrophobicContact CB-CD2 4.21Å
166N77.1Confident86.1Confident129 Ų12958.6 Ų58.669%0.6928%0.277SS*.Hα-helixtrans-70.4-25-172.2-75-50.5000114.3L162L162-N166 WeakPolarHBondContact O-CB 3.26Å; L162-N166 PolarHBondContact O-N 3.35Å; L162-N166 VanDerWaalsContact O-N 3.14Å; L162-N166 PolarHBondContact O-ND2 3.21Å
167E75.3Confident86.6Confident83 Ų8353.6 Ų53.639%0.38826%0.258SS..THydrogen-bonded Turntrans-97.92.5-173.6-66.2-169.5-175.300114.7A163 E165 Y169 K172A163-E167 PolarHBondContact O-N 3.43Å; E165-E167 VanDerWaalsContact C-N 3.33Å; E165-E167 PolarHBondContact O-N 3.41Å; E167-Y169 HydrophobicContact CB-CD2 4.4Å; E167-Y169 PolarHBondContact O-N 3.35Å; E167-K172 PolarHBondContact O-NZ 3.48Å
168G81.3Confident86.9Confident40 Ų4054.5 Ų54.541%0.41226%0.262SS..THydrogen-bonded Turntrans57.832.6-17200000111.7I170 R171G168-I170 VanDerWaalsContact C-N 3.34Å; G168-I170 PolarHBondContact O-N 3.25Å; G168-R171 PolarHBondContact O-N 3.2Å
169Y86.7Confident87.2Confident5 Ų553.4 Ų53.42%0.0226%0.261CS..Hα-helixtrans-67.4-35.6-161.9-160-91.7000112.3L132 P133 C135 L143 V164 E167 R171 K172 L173L132-Y169 HydrophobicContact CB-CD2 4.05Å; L132-Y169 HydrophobicContact CB-CE2 3.65Å; L132-Y169 HydrophobicContact CD1-CD1 4.34Å; L132-Y169 HydrophobicContact CD1-CD2 3.71Å; L132-Y169 HydrophobicContact CD1-CE2 4.11Å; L132-Y169 HydrophobicContact CD1-CG 3.86Å; L132-Y169 HydrophobicContact CG-CD2 4.49Å; L132-Y169 HydrophobicContact CG-CE2 4.42Å; P133-Y169 VanDerWaalsContact O-CE2 3.24Å; P133-Y169 WeakPolarHBondContact O-CE2 3.33Å; P133-Y169 VanDerWaalsContact O-CZ 3.3Å; P133-Y169 PolarHBondContact O-OH 3.12Å; C135-Y169 VanDerWaalsContact SG-CE1 3.53Å; C135-Y169 WeakPolarHBondContact SG-CE2 3.26Å; L143-Y169 HydrophobicContact CD1-CE1 3.99Å; L143-Y169 WeakPolarHBondContact CD1-OH 3.29Å; L143-Y169 HydrophobicContact CD2-CE1 3.76Å; V164-Y169 PolarHBondContact O-N 3.46Å; E167-Y169 HydrophobicContact CB-CD2 4.4Å; E167-Y169 PolarHBondContact O-N 3.35Å; Y169-R171 VanDerWaalsContact C-N 3.35Å; Y169-R171 PolarHBondContact O-N 3.12Å; Y169-K172 PolarHBondContact O-N 3.11Å; Y169-L173 HydrophobicContact CD1-CD1 3.61Å; Y169-L173 HydrophobicContact CD1-CD2 4.41Å; Y169-L173 HydrophobicContact CD1-CG 3.81Å; Y169-L173 HydrophobicContact CE1-CD1 3.72Å; Y169-L173 HydrophobicContact CE1-CD2 3.82Å; Y169-L173 HydrophobicContact CE1-CG 3.73Å; Y169-L173 WeakPolarHBondContact O-CG 3.43Å; Y169-L173 PolarHBondContact O-N 3.01Å
170I89.4Confident87.4Confident4 Ų449.3 Ų49.32%0.02124%0.243CC..Hα-helixtrans-54.8-47.7176.7-65.8161.4000111.3V164 G168 K172 L173 L174 I199 L207 V210 M211V164-I170 HydrophobicContact CG1-CD1 4.03Å; V164-I170 HydrophobicContact CG1-CG1 3.74Å; G168-I170 VanDerWaalsContact C-N 3.34Å; G168-I170 PolarHBondContact O-N 3.25Å; I170-K172 VanDerWaalsContact C-N 3.33Å; I170-K172 PolarHBondContact O-N 3.4Å; I170-L173 WeakPolarHBondContact O-CB 3.26Å; I170-L173 PolarHBondContact O-N 3.39Å; I170-L173 VanDerWaalsContact O-N 3.17Å; I170-L174 HydrophobicContact CG2-CD1 4.1Å; I170-L174 HydrophobicContact CG2-CG 4.41Å; I170-L174 WeakPolarHBondContact O-CG 3.49Å; I170-L174 PolarHBondContact O-N 3.14Å; I170-I199 HydrophobicContact CD1-CG2 4.42Å; I170-I199 HydrophobicContact CG1-CG2 4.45Å; I170-L207 HydrophobicContact CD1-CB 4.34Å; I170-L207 HydrophobicContact CD1-CD2 3.96Å; I170-V210 HydrophobicContact CB-CG1 4.09Å; I170-V210 HydrophobicContact CD1-CB 4.15Å; I170-V210 HydrophobicContact CD1-CG1 4.16Å; I170-V210 HydrophobicContact CG2-CG1 4.1Å; I170-M211 HydrophobicContact CD1-CG 3.88Å; I170-M211 HydrophobicContact CG2-CG 4.11Å
171R90.7Very high87.4Confident137 Ų13752 Ų5252%0.51726%0.256SS..Hα-helixtrans-63.2-40.1-177.8-68.3-175.8-176.7156.11112.2G168 Y169 L173 L174 E175 V210G168-R171 PolarHBondContact O-N 3.2Å; Y169-R171 VanDerWaalsContact C-N 3.35Å; Y169-R171 PolarHBondContact O-N 3.12Å; R171-L173 VanDerWaalsContact C-N 3.35Å; R171-L174 PolarHBondContact O-N 3.35Å; R171-E175 WeakPolarHBondContact O-CG 3.26Å; R171-E175 PolarHBondContact O-N 3.44Å; R171-V210 HydrophobicContact CG-CG1 4.44Å
172K90Very high87.7Confident97 Ų9758.4 Ų58.442%0.42229%0.289SS..Hα-helixtrans-65.2-37.7176.1-64.9170.4-178.7156.10112C135 E167 Y169 I170 E175 L176C135-K172 HydrophobicContact CB-CB 4Å; C135-K172 VanDerWaalsContact SG-CB 3.53Å; E167-K172 PolarHBondContact O-NZ 3.48Å; Y169-K172 PolarHBondContact O-N 3.11Å; I170-K172 VanDerWaalsContact C-N 3.33Å; I170-K172 PolarHBondContact O-N 3.4Å; K172-E175 PolarHBondContact O-N 2.97Å; K172-L176 PolarHBondContact O-N 3.41Å
173L90.3Very high87.9Confident0 Ų060 Ų600%030%0.298CS..Hα-helixtrans-63.6-41.1173.5-71.1173.3000111.7L143 Y169 I170 R171 L176 F177 L192 I195 I199L143-L173 HydrophobicContact CD2-CD1 4.43Å; L143-L173 HydrophobicContact CD2-CD2 3.8Å; Y169-L173 HydrophobicContact CD1-CD1 3.61Å; Y169-L173 HydrophobicContact CD1-CD2 4.41Å; Y169-L173 HydrophobicContact CD1-CG 3.81Å; Y169-L173 HydrophobicContact CE1-CD1 3.72Å; Y169-L173 HydrophobicContact CE1-CD2 3.82Å; Y169-L173 HydrophobicContact CE1-CG 3.73Å; Y169-L173 WeakPolarHBondContact O-CG 3.43Å; Y169-L173 PolarHBondContact O-N 3.01Å; I170-L173 WeakPolarHBondContact O-CB 3.26Å; I170-L173 PolarHBondContact O-N 3.39Å; I170-L173 VanDerWaalsContact O-N 3.17Å; R171-L173 VanDerWaalsContact C-N 3.35Å; L173-L176 PolarHBondContact O-N 3.26Å; L173-F177 PolarHBondContact O-N 3.01Å; L173-L192 HydrophobicContact CD2-CD2 4.19Å; L173-I195 HydrophobicContact CD1-CG2 3.66Å; L173-I195 HydrophobicContact CD2-CG2 4.44Å; L173-I199 HydrophobicContact CD1-CD1 3.73Å
174L91.9Very high87.9Confident4 Ų467.3 Ų67.32%0.02133%0.33CS..Hα-helixtrans-69.4-35.2177.3-61.4177.4000112.4I170 R171 L176 F177 R178 I196 C216 D219 V220I170-L174 HydrophobicContact CG2-CD1 4.1Å; I170-L174 HydrophobicContact CG2-CG 4.41Å; I170-L174 WeakPolarHBondContact O-CG 3.49Å; I170-L174 PolarHBondContact O-N 3.14Å; R171-L174 PolarHBondContact O-N 3.35Å; L174-L176 VanDerWaalsContact C-N 3.33Å; L174-F177 WeakPolarHBondContact O-CB 3.35Å; L174-F177 PolarHBondContact O-N 2.91Å; L174-R178 WeakPolarHBondContact O-CG 3.37Å; L174-R178 PolarHBondContact O-N 3.41Å; L174-R178 VanDerWaalsContact O-N 3.1Å; L174-I196 HydrophobicContact CD2-CD1 4.27Å; L174-C216 HydrophobicContact CD1-CB 3.6Å; L174-D219 HydrophobicContact CB-CB 4.28Å; L174-D219 HydrophobicContact CD1-CB 4.29Å; L174-D219 HydrophobicContact CD2-CB 3.94Å; L174-D219 HydrophobicContact CG-CB 4.38Å; L174-V220 HydrophobicContact CD1-CG2 3.97Å; L174-V220 HydrophobicContact CD2-CG2 3.99Å
175E91.4Very high88Confident123 Ų12369.7 Ų69.758%0.57534%0.342SS*.Hα-helixtrans-61-42.9170-74.3174.1-172.800111.5R171 K172 F177 R178 V179R171-E175 WeakPolarHBondContact O-CG 3.26Å; R171-E175 PolarHBondContact O-N 3.44Å; K172-E175 PolarHBondContact O-N 2.97Å; E175-F177 VanDerWaalsContact C-N 3.34Å; E175-R178 PolarHBondContact O-N 3.19Å; E175-V179 PolarHBondContact O-N 3.08Å
176L90.3Very high88.1Confident19 Ų1973.7 Ų73.710%0.09935%0.353CS..Hα-helixtrans-67.2-35.3176.6-170.663.1000112.1L137 L140 K172 L173 L174 V179 C180L137-L176 HydrophobicContact CB-CD1 4.46Å; L137-L176 HydrophobicContact CD1-CD1 3.84Å; L137-L176 HydrophobicContact CG-CD1 3.96Å; L140-L176 HydrophobicContact CD1-CD2 4.05Å; L140-L176 HydrophobicContact CD2-CD2 3.8Å; L140-L176 HydrophobicContact CG-CD2 4.05Å; K172-L176 PolarHBondContact O-N 3.41Å; L173-L176 PolarHBondContact O-N 3.26Å; L174-L176 VanDerWaalsContact C-N 3.33Å; L176-V179 PolarHBondContact O-N 3.13Å; L176-C180 PolarHBondContact O-N 2.84Å; L176-C180 PolarHBondContact O-SG 3.16Å
177F92.6Very high88.5Confident0 Ų074.1 Ų74.10%035%0.351CS..Hα-helixtrans-57-50.2171.8166.5-101.9000111.6L173 L174 E175 V179 C180 E181 L189 L192 D219 G222 C223 F226L173-F177 PolarHBondContact O-N 3.01Å; L174-F177 WeakPolarHBondContact O-CB 3.35Å; L174-F177 PolarHBondContact O-N 2.91Å; E175-F177 VanDerWaalsContact C-N 3.34Å; F177-V179 VanDerWaalsContact C-N 3.27Å; F177-V179 PolarHBondContact O-N 3.34Å; F177-C180 PolarHBondContact O-N 3.34Å; F177-E181 WeakPolarHBondContact O-CB 3.33Å; F177-E181 PolarHBondContact O-N 3.09Å; F177-L189 HydrophobicContact CD2-CD2 3.57Å; F177-L189 HydrophobicContact CE2-CD2 3.56Å; F177-L192 HydrophobicContact CB-CD1 3.89Å; F177-L192 HydrophobicContact CD2-CD1 4.3Å; F177-D219 HydrophobicContact CD1-CB 4.35Å; F177-G222 VanDerWaalsContact CZ-C 3.41Å; F177-C223 HydrophobicContact CD2-CB 4.35Å; F177-C223 WeakPolarHBondContact CD2-SG 3.18Å; F177-C223 HydrophobicContact CE2-CB 4.48Å; F177-C223 WeakPolarHBondContact CG-SG 3.47Å; F177-F226 HydrophobicContact CE2-CD2 4.05Å; F177-F226 AromaticContact CE2-CE2 3.82Å; F177-F226 HydrophobicContact CE2-CE2 3.82Å; F177-F226 HydrophobicContact CZ-CE2 4.13Å
178R91.1Very high89.1Confident120 Ų12070.5 Ų70.545%0.45334%0.336SS..Hα-helixtrans-57-41.3177.5-66.2174.2-176.6175.50.1111.8L174 E175 E181 D182 D219L174-R178 WeakPolarHBondContact O-CG 3.37Å; L174-R178 PolarHBondContact O-N 3.41Å; L174-R178 VanDerWaalsContact O-N 3.1Å; E175-R178 PolarHBondContact O-N 3.19Å; R178-E181 PolarHBondContact O-N 3.4Å; R178-D182 WeakPolarHBondContact O-CB 3.25Å; R178-D182 VanDerWaalsContact O-CG 3.28Å; R178-D182 PolarHBondContact O-N 3.38Å; R178-D219 IonicContact CZ-OD2 3.86Å; R178-D219 IonicContact NE-OD1 2.65Å; R178-D219 IonicContact NE-OD2 3.59Å; R178-D219 PolarHBondContact NE-OD2 3.39Å; R178-D219 IonicContact NH2-OD2 3.82Å; R178-D219 PolarHBondContact NH2-OD2 3.12Å
179V91.6Very high89.5Confident68 Ų6868.9 Ų68.941%0.41232%0.317SS..Hα-helixtrans-66-41.9175.6176.30000112L137 E175 L176 F177 E181 D182 L183L137-V179 HydrophobicContact CD1-CG1 4.44Å; E175-V179 PolarHBondContact O-N 3.08Å; L176-V179 PolarHBondContact O-N 3.13Å; F177-V179 VanDerWaalsContact C-N 3.27Å; F177-V179 PolarHBondContact O-N 3.34Å; V179-E181 VanDerWaalsContact C-N 3.33Å; V179-D182 PolarHBondContact O-N 3.16Å; V179-L183 HydrophobicContact CG1-CD1 3.87Å; V179-L183 HydrophobicContact CG1-CG 4.48Å; V179-L183 WeakPolarHBondContact O-CB 3.24Å; V179-L183 VanDerWaalsContact O-CG 3.22Å; V179-L183 WeakPolarHBondContact O-CG 3.47Å; V179-L183 PolarHBondContact O-N 2.95Å; V179-L183 VanDerWaalsContact O-N 3.08Å
180C88.9Confident89.7Confident0 Ų071.8 Ų71.80%033%0.331CS..Hα-helixtrans-66.9-37178.1-66.80000111.9L176 F177 L183 E184 N185 L189 L192L176-C180 PolarHBondContact O-N 2.84Å; L176-C180 PolarHBondContact O-SG 3.16Å; F177-C180 PolarHBondContact O-N 3.34Å; C180-L183 PolarHBondContact O-N 3.27Å; C180-E184 PolarHBondContact O-N 3.21Å; C180-E184 VanDerWaalsContact O-N 3.13Å; C180-N185 PolarHBondContact O-N 3.4Å; C180-L189 HydrophobicContact CB-CD2 3.9Å; C180-L189 HydrophobicContact CB-CG 4.14Å; C180-L192 HydrophobicContact CB-CD1 4.28Å
181E89.2Confident89.6Confident58 Ų5873.7 Ų73.727%0.27134%0.34SS..Hα-helixtrans-64.5-48.6174.8176.9159.8-113.600111.1F177 R178 V179 L183 E184 L189 R237F177-E181 WeakPolarHBondContact O-CB 3.33Å; F177-E181 PolarHBondContact O-N 3.09Å; R178-E181 PolarHBondContact O-N 3.4Å; V179-E181 VanDerWaalsContact C-N 3.33Å; E181-L183 PolarHBondContact O-N 3.38Å; E181-E184 PolarHBondContact O-N 2.59Å; E181-L189 HydrophobicContact CB-CD2 4.35Å; E181-R237 IonicContact OE1-CZ 3.86Å; E181-R237 IonicContact OE1-NH1 3.8Å; E181-R237 PolarHBondContact OE1-NH1 3.29Å; E181-R237 IonicContact OE1-NH2 3.43Å; E181-R237 PolarHBondContact OE1-NH2 3.47Å; E181-R237 IonicContact OE2-CZ 2.97Å; E181-R237 IonicContact OE2-NH1 2.65Å; E181-R237 PolarHBondContact OE2-NH1 3.11Å; E181-R237 IonicContact OE2-NH2 3.78Å
182D90.9Very high89.6Confident137 Ų13767.1 Ų67.173%0.73332%0.315SS*.Hα-helixtrans-61.3-31.3176.9-75.3-19.4000113R178 V179 E184R178-D182 WeakPolarHBondContact O-CB 3.25Å; R178-D182 VanDerWaalsContact O-CG 3.28Å; R178-D182 PolarHBondContact O-N 3.38Å; V179-D182 PolarHBondContact O-N 3.16Å; D182-E184 VanDerWaalsContact C-N 3.35Å
183L89.9Confident89.7Confident119 Ų11962.8 Ų62.862%0.62330%0.296SS*.THydrogen-bonded Turntrans-88.5-0.4177.6-66.5175.4000113.4V179 C180 E181 N185V179-L183 HydrophobicContact CG1-CD1 3.87Å; V179-L183 HydrophobicContact CG1-CG 4.48Å; V179-L183 WeakPolarHBondContact O-CB 3.24Å; V179-L183 VanDerWaalsContact O-CG 3.22Å; V179-L183 WeakPolarHBondContact O-CG 3.47Å; V179-L183 PolarHBondContact O-N 2.95Å; V179-L183 VanDerWaalsContact O-N 3.08Å; C180-L183 PolarHBondContact O-N 3.27Å; E181-L183 PolarHBondContact O-N 3.38Å; L183-N185 PolarHBondContact O-N 2.72Å; L183-N185 VanDerWaalsContact O-N 3.16Å
184E86.6Confident89.6Confident168 Ų16866.5 Ų66.579%0.78531%0.314SS*.THydrogen-bonded Turntrans5131.8-172.9-60.2-176.6177.400113.4C180 E181 D182 R186C180-E184 PolarHBondContact O-N 3.21Å; C180-E184 VanDerWaalsContact O-N 3.13Å; E181-E184 PolarHBondContact O-N 2.59Å; D182-E184 VanDerWaalsContact C-N 3.35Å; E184-R186 PolarHBondContact O-N 3.26Å
185N89.3Confident89.6Confident53 Ų5366.3 Ų66.328%0.28331%0.313SS..  trans-79.788.8-177.4-176.76.1000111.7L137 C180 L183 E187 G188 L189L137-N185 WeakPolarHBondContact CD2-ND2 3.43Å; C180-N185 PolarHBondContact O-N 3.4Å; L183-N185 PolarHBondContact O-N 2.72Å; L183-N185 VanDerWaalsContact O-N 3.16Å; N185-E187 VanDerWaalsContact C-N 3.32Å; N185-E187 PolarHBondContact O-N 3.33Å; N185-E187 PolarHBondContact OD1-N 3.01Å; N185-G188 PolarHBondContact O-N 3.38Å; N185-G188 PolarHBondContact OD1-N 3.16Å; N185-L189 VanDerWaalsContact O-CG 3.3Å; N185-L189 WeakPolarHBondContact O-CG 3.45Å; N185-L189 PolarHBondContact O-N 3.09Å; N185-L189 VanDerWaalsContact O-N 3.1Å
186R85.3Confident89.6Confident184 Ų18460.5 Ų60.569%0.69429%0.286SS*.Hα-helixtrans-56.2-39.2-178.7-66.4-172.8172.8-166.9-4.7114.7E184 L189 H190E184-R186 PolarHBondContact O-N 3.26Å; R186-L189 PolarHBondContact O-N 3.47Å; R186-H190 PolarHBondContact O-N 3.5Å
187E86.6Confident89.6Confident138 Ų13862.4 Ų62.465%0.64529%0.293SS*.Hα-helixtrans-67.1-44.2-178.1-172.3172.6-165.400111N185 L189 H190 Q191N185-E187 VanDerWaalsContact C-N 3.32Å; N185-E187 PolarHBondContact O-N 3.33Å; N185-E187 PolarHBondContact OD1-N 3.01Å; E187-L189 VanDerWaalsContact C-N 3.33Å; E187-L189 PolarHBondContact O-N 3.21Å; E187-H190 PolarHBondContact O-N 2.83Å; E187-Q191 WeakPolarHBondContact O-CG 3.5Å; E187-Q191 PolarHBondContact O-N 3.21Å; E187-Q191 VanDerWaalsContact O-N 3.14Å
188G86.9Confident89.4Confident6 Ų662.5 Ų62.56%0.06229%0.294CS..Hα-helixtrans-62.3-39.4174.200000112.8N185 Q191 L192N185-G188 PolarHBondContact O-N 3.38Å; N185-G188 PolarHBondContact OD1-N 3.16Å; G188-Q191 PolarHBondContact O-N 2.9Å; G188-L192 WeakPolarHBondContact O-CB 3.4Å; G188-L192 WeakPolarHBondContact O-CD1 3.37Å; G188-L192 VanDerWaalsContact O-CG 3.27Å; G188-L192 WeakPolarHBondContact O-CG 3.31Å; G188-L192 PolarHBondContact O-N 3.38Å
189L89.9Confident89.4Confident6 Ų656.9 Ų56.93%0.03127%0.273CS..Hα-helixtrans-65.5-40.9178.2-66.6167.7000112.4F177 C180 E181 N185 R186 E187 L192 Y193 F226F177-L189 HydrophobicContact CD2-CD2 3.57Å; F177-L189 HydrophobicContact CE2-CD2 3.56Å; C180-L189 HydrophobicContact CB-CD2 3.9Å; C180-L189 HydrophobicContact CB-CG 4.14Å; E181-L189 HydrophobicContact CB-CD2 4.35Å; N185-L189 VanDerWaalsContact O-CG 3.3Å; N185-L189 WeakPolarHBondContact O-CG 3.45Å; N185-L189 PolarHBondContact O-N 3.09Å; N185-L189 VanDerWaalsContact O-N 3.1Å; R186-L189 PolarHBondContact O-N 3.47Å; E187-L189 VanDerWaalsContact C-N 3.33Å; E187-L189 PolarHBondContact O-N 3.21Å; L189-L192 PolarHBondContact O-N 3.42Å; L189-Y193 PolarHBondContact O-N 3.1Å; L189-F226 HydrophobicContact CB-CB 4.15Å; L189-F226 HydrophobicContact CB-CD1 4.12Å; L189-F226 HydrophobicContact CB-CD2 4.26Å; L189-F226 HydrophobicContact CB-CG 3.91Å; L189-F226 HydrophobicContact CD1-CD1 4.02Å; L189-F226 HydrophobicContact CD1-CE1 3.72Å; L189-F226 HydrophobicContact CD1-CE2 4.31Å; L189-F226 HydrophobicContact CD1-CG 4.43Å; L189-F226 HydrophobicContact CD1-CZ 3.88Å; L189-F226 HydrophobicContact CD2-CD2 4.28Å; L189-F226 HydrophobicContact CD2-CE2 4.18Å
190H90.1Very high89.3Confident66 Ų6653.7 Ų53.731%0.30625%0.254SS..Hα-helixtrans-63.7-41174.3-72.8176.9000112.5R186 E187 Y193 E194 F226 P228R186-H190 PolarHBondContact O-N 3.5Å; E187-H190 PolarHBondContact O-N 2.83Å; H190-Y193 WeakPolarHBondContact O-CB 3.48Å; H190-Y193 PolarHBondContact O-N 3.43Å; H190-E194 PolarHBondContact O-N 2.9Å; H190-F226 PolarHBondContact CD2-O 3.11Å; H190-P228 HydrophobicContact CB-CB 4.49Å; H190-P228 HydrophobicContact CB-CG 3.92Å
191Q88.5Confident89.2Confident44 Ų4456.9 Ų56.921%0.20627%0.27CS..Hα-helixtrans-64.9-42.9175.8-64.4-64.7-700110.8L140 E187 G188 Y193 E194 I195L140-Q191 HydrophobicContact CB-CB 3.9Å; L140-Q191 HydrophobicContact CB-CG 4.38Å; E187-Q191 WeakPolarHBondContact O-CG 3.5Å; E187-Q191 PolarHBondContact O-N 3.21Å; E187-Q191 VanDerWaalsContact O-N 3.14Å; G188-Q191 PolarHBondContact O-N 2.9Å; Q191-Y193 VanDerWaalsContact C-N 3.32Å; Q191-Y193 PolarHBondContact O-N 3.38Å; Q191-E194 PolarHBondContact O-N 3.24Å; Q191-I195 VanDerWaalsContact O-CD1 3.26Å; Q191-I195 WeakPolarHBondContact O-CD1 3.43Å; Q191-I195 WeakPolarHBondContact O-CG1 3.19Å; Q191-I195 PolarHBondContact O-N 3.08Å
192L90.9Very high89.2Confident0 Ų054.6 Ų54.60%026%0.26CS..Hα-helixtrans-62.3-36.8176.5-73.9165.3000112.7L140 L173 F177 C180 G188 L189 I195 I196L140-L192 HydrophobicContact CD1-CG 4.24Å; L140-L192 HydrophobicContact CD2-CD2 3.71Å; L140-L192 HydrophobicContact CD2-CG 4.08Å; L173-L192 HydrophobicContact CD2-CD2 4.19Å; F177-L192 HydrophobicContact CB-CD1 3.89Å; F177-L192 HydrophobicContact CD2-CD1 4.3Å; C180-L192 HydrophobicContact CB-CD1 4.28Å; G188-L192 WeakPolarHBondContact O-CB 3.4Å; G188-L192 WeakPolarHBondContact O-CD1 3.37Å; G188-L192 VanDerWaalsContact O-CG 3.27Å; G188-L192 WeakPolarHBondContact O-CG 3.31Å; G188-L192 PolarHBondContact O-N 3.38Å; L189-L192 PolarHBondContact O-N 3.42Å; L192-I195 PolarHBondContact O-N 2.74Å; L192-I196 WeakPolarHBondContact O-CB 3.45Å; L192-I196 VanDerWaalsContact O-CG1 3.3Å; L192-I196 WeakPolarHBondContact O-CG1 3.42Å; L192-I196 PolarHBondContact O-N 3.4Å
193Y90.7Very high89Confident6 Ų649.1 Ų49.12%0.02423%0.231CC..Hα-helixtrans-55.8-53171.1169.5-85.1000111.1L189 H190 Q191 I195 I196 K197 C223 L224 F226 D227 P228L189-Y193 PolarHBondContact O-N 3.1Å; H190-Y193 WeakPolarHBondContact O-CB 3.48Å; H190-Y193 PolarHBondContact O-N 3.43Å; Q191-Y193 VanDerWaalsContact C-N 3.32Å; Q191-Y193 PolarHBondContact O-N 3.38Å; Y193-I195 VanDerWaalsContact C-N 3.35Å; Y193-I195 PolarHBondContact O-N 3.34Å; Y193-I196 PolarHBondContact O-N 3.48Å; Y193-K197 HydrophobicContact CE1-CD 3.66Å; Y193-K197 WeakPolarHBondContact O-CB 3.41Å; Y193-K197 PolarHBondContact O-N 2.93Å; Y193-K197 PolarHBondContact OH-NZ 3.43Å; Y193-K197 VanDerWaalsContact OH-NZ 3.11Å; Y193-C223 WeakPolarHBondContact CB-O 3.31Å; Y193-L224 HydrophobicContact CD2-CD2 4.35Å; Y193-L224 HydrophobicContact CE2-CD2 4.31Å; Y193-L224 WeakPolarHBondContact CE2-O 3.5Å; Y193-F226 WeakPolarHBondContact CB-O 3.21Å; Y193-D227 HydrophobicContact CD2-CB 4.32Å; Y193-D227 HydrophobicContact CE1-CB 4.47Å; Y193-D227 HydrophobicContact CE2-CB 3.72Å; Y193-D227 PolarHBondContact OH-OD2 3.2Å; Y193-P228 HydrophobicContact CD1-CG 4.16Å
194E89.1Confident88.9Confident78 Ų7848.5 Ų48.536%0.36422%0.22SC..Hα-helixtrans-64.4-39.1-178.2-70.7-59.8152.200112.2H190 Q191 G198 P228H190-E194 PolarHBondContact O-N 2.9Å; Q191-E194 PolarHBondContact O-N 3.24Å; E194-G198 PolarHBondContact O-N 2.99Å; E194-P228 HydrophobicContact CG-CG 4.48Å
195I90.8Very high89.1Confident0 Ų044 Ų440%020%0.204CC..Hα-helixtrans-62.4-52.2176.1-66.4155.4000110.5L140 L143 A144 L173 Q191 L192 Y193 G198 I199L140-I195 HydrophobicContact CD2-CD1 3.69Å; L143-I195 HydrophobicContact CB-CD1 4.15Å; L143-I195 HydrophobicContact CB-CG1 4.45Å; L143-I195 HydrophobicContact CD2-CB 4.39Å; L143-I195 HydrophobicContact CD2-CD1 3.61Å; L143-I195 HydrophobicContact CD2-CG1 3.85Å; L143-I195 HydrophobicContact CD2-CG2 3.6Å; L143-I195 HydrophobicContact CG-CD1 4.34Å; L143-I195 HydrophobicContact CG-CG1 4.38Å; A144-I195 HydrophobicContact CB-CD1 4.4Å; A144-I195 HydrophobicContact CB-CG1 3.92Å; L173-I195 HydrophobicContact CD1-CG2 3.66Å; L173-I195 HydrophobicContact CD2-CG2 4.44Å; Q191-I195 VanDerWaalsContact O-CD1 3.26Å; Q191-I195 WeakPolarHBondContact O-CD1 3.43Å; Q191-I195 WeakPolarHBondContact O-CG1 3.19Å; Q191-I195 PolarHBondContact O-N 3.08Å; L192-I195 PolarHBondContact O-N 2.74Å; Y193-I195 VanDerWaalsContact C-N 3.35Å; Y193-I195 PolarHBondContact O-N 3.34Å; I195-G198 PolarHBondContact O-N 3.24Å; I195-I199 HydrophobicContact CG2-CD1 3.83Å; I195-I199 HydrophobicContact CG2-CG1 4.5Å; I195-I199 VanDerWaalsContact O-CG1 3.3Å; I195-I199 WeakPolarHBondContact O-CG1 3.37Å; I195-I199 PolarHBondContact O-N 3.46Å
196I92.6Very high89.1Confident1 Ų142.7 Ų42.71%0.00520%0.201CC..Hα-helixtrans-66.1-40.9-177-69.6-66.1000111.1L174 L192 Y193 I199 F200 M211 V220 C223 L224L174-I196 HydrophobicContact CD2-CD1 4.27Å; L192-I196 WeakPolarHBondContact O-CB 3.45Å; L192-I196 VanDerWaalsContact O-CG1 3.3Å; L192-I196 WeakPolarHBondContact O-CG1 3.42Å; L192-I196 PolarHBondContact O-N 3.4Å; Y193-I196 PolarHBondContact O-N 3.48Å; I196-I199 PolarHBondContact O-N 2.95Å; I196-F200 WeakPolarHBondContact O-CB 3.45Å; I196-F200 PolarHBondContact O-N 3.4Å; I196-M211 HydrophobicContact CG2-CE 3.97Å; I196-V220 HydrophobicContact CG2-CG1 4.01Å; I196-C223 HydrophobicContact CB-CB 4.19Å; I196-C223 HydrophobicContact CG1-CB 3.88Å; I196-C223 HydrophobicContact CG2-CB 4.28Å; I196-L224 HydrophobicContact CG2-CD2 4.12Å; I196-L224 HydrophobicContact CG2-CG 4.21Å
197K90.1Very high89.4Confident58 Ų5834 Ų3425%0.25217%0.168SC..Hα-helixtrans-60.3-44.9172.9-178.3178.8-178175.60111.4Y193 F200 L201 L224 L275Y193-K197 HydrophobicContact CE1-CD 3.66Å; Y193-K197 WeakPolarHBondContact O-CB 3.41Å; Y193-K197 PolarHBondContact O-N 2.93Å; Y193-K197 PolarHBondContact OH-NZ 3.43Å; Y193-K197 VanDerWaalsContact OH-NZ 3.11Å; K197-F200 WeakPolarHBondContact O-CB 3.39Å; K197-F200 PolarHBondContact O-N 2.76Å; K197-L201 HydrophobicContact CG-CD1 4.37Å; K197-L201 VanDerWaalsContact O-CG 3.3Å; K197-L201 WeakPolarHBondContact O-CG 2.92Å; K197-L201 PolarHBondContact O-N 3.22Å; K197-L224 HydrophobicContact CB-CD2 4.24Å; K197-L275 HydrophobicContact CD-CD2 4.29Å; K197-L275 HydrophobicContact CG-CD2 4.2Å
198G88.3Confident89.7Confident3 Ų327.5 Ų27.53%0.03114%0.138CC..Hα-helixtrans-64.6-41.1176.700000113E194 I195 F200 L201 L202E194-G198 PolarHBondContact O-N 2.99Å; I195-G198 PolarHBondContact O-N 3.24Å; G198-F200 VanDerWaalsContact C-N 3.35Å; G198-F200 PolarHBondContact O-N 2.64Å; G198-L201 PolarHBondContact O-N 3.38Å; G198-L202 PolarHBondContact O-N 3.47Å
199I90.1Very high89.9Confident2 Ų233 Ų331%0.0116%0.162CC..Hα-helixtrans-62.3-42.5174.1-68.7169.6000110.9V164 I170 L173 I195 I196 L201 L202 L207 M211V164-I199 HydrophobicContact CG1-CD1 4.38Å; V164-I199 HydrophobicContact CG1-CG2 4.46Å; I170-I199 HydrophobicContact CD1-CG2 4.42Å; I170-I199 HydrophobicContact CG1-CG2 4.45Å; L173-I199 HydrophobicContact CD1-CD1 3.73Å; I195-I199 HydrophobicContact CG2-CD1 3.83Å; I195-I199 HydrophobicContact CG2-CG1 4.5Å; I195-I199 VanDerWaalsContact O-CG1 3.3Å; I195-I199 WeakPolarHBondContact O-CG1 3.37Å; I195-I199 PolarHBondContact O-N 3.46Å; I196-I199 PolarHBondContact O-N 2.95Å; I199-L201 VanDerWaalsContact C-N 3.3Å; I199-L201 PolarHBondContact O-N 2.93Å; I199-L202 VanDerWaalsContact O-CB 3.26Å; I199-L202 WeakPolarHBondContact O-CB 3.34Å; I199-L202 WeakPolarHBondContact O-CG 3.33Å; I199-L202 PolarHBondContact O-N 3.4Å; I199-L202 VanDerWaalsContact O-N 3.11Å; I199-L207 HydrophobicContact CG2-CD1 4.21Å; I199-M211 HydrophobicContact CG2-SD 3.84Å
200F89.7Confident90Very high1 Ų134.9 Ų34.90%0.00417%0.173CC..Hα-helixtrans-58.3-42.7175.5-178.8-86.7000111.7I196 K197 G198 L202 N203 F208 M211 F212 I270 L275 L286 L289I196-F200 WeakPolarHBondContact O-CB 3.45Å; I196-F200 PolarHBondContact O-N 3.4Å; K197-F200 WeakPolarHBondContact O-CB 3.39Å; K197-F200 PolarHBondContact O-N 2.76Å; G198-F200 VanDerWaalsContact C-N 3.35Å; G198-F200 PolarHBondContact O-N 2.64Å; F200-L202 PolarHBondContact O-N 3.38Å; F200-N203 PolarHBondContact O-N 3.04Å; F200-N203 VanDerWaalsContact O-N 3.12Å; F200-F208 AromaticContact CD2-CE1 3.88Å; F200-F208 HydrophobicContact CD2-CE1 3.88Å; F200-F208 HydrophobicContact CE2-CE1 4.19Å; F200-F208 HydrophobicContact CG-CE1 4.24Å; F200-M211 HydrophobicContact CB-CE 4.13Å; F200-M211 HydrophobicContact CD2-CE 4.33Å; F200-F212 HydrophobicContact CD2-CE1 4.37Å; F200-F212 HydrophobicContact CD2-CZ 4.04Å; F200-F212 HydrophobicContact CE2-CE1 4.14Å; F200-F212 AromaticContact CE2-CZ 3.66Å; F200-F212 HydrophobicContact CE2-CZ 3.66Å; F200-I270 HydrophobicContact CE2-CG2 3.77Å; F200-I270 HydrophobicContact CZ-CG2 4.05Å; F200-L275 HydrophobicContact CD1-CD1 3.75Å; F200-L275 HydrophobicContact CE1-CD1 3.88Å; F200-L275 HydrophobicContact CG-CD1 4.08Å; F200-L275 HydrophobicContact CZ-CD1 4.29Å; F200-L286 HydrophobicContact CD1-CD2 4.2Å; F200-L286 HydrophobicContact CE1-CD1 3.95Å; F200-L286 HydrophobicContact CE1-CD2 3.73Å; F200-L289 HydrophobicContact CE1-CD2 4.33Å; F200-L289 HydrophobicContact CE2-CD1 4.14Å; F200-L289 HydrophobicContact CE2-CD2 4.41Å; F200-L289 HydrophobicContact CZ-CD1 4.12Å; F200-L289 HydrophobicContact CZ-CD2 3.59Å; F200-L289 HydrophobicContact CZ-CG 4.46Å
201L88.5Confident90.1Very high67 Ų6731.7 Ų31.735%0.35116%0.159SC..THydrogen-bonded Turntrans-69.7-7.9178.3-67.9172.6000114.3L151 K197 G198 I199 N203L151-L201 HydrophobicContact CD1-CD1 4.32Å; L151-L201 HydrophobicContact CD2-CB 4.03Å; K197-L201 HydrophobicContact CG-CD1 4.37Å; K197-L201 VanDerWaalsContact O-CG 3.3Å; K197-L201 WeakPolarHBondContact O-CG 2.92Å; K197-L201 PolarHBondContact O-N 3.22Å; G198-L201 PolarHBondContact O-N 3.38Å; I199-L201 VanDerWaalsContact C-N 3.3Å; I199-L201 PolarHBondContact O-N 2.93Å; L201-N203 PolarHBondContact O-N 3.48Å
202L87.6Confident90.3Very high9 Ų929.7 Ų29.75%0.04715%0.149CC..THydrogen-bonded Turntrans-67.2-19.7169-61.1175.4000112.1L151 R157 L160 A161 G198 I199 F200 R204 L207L151-L202 HydrophobicContact CD2-CD2 3.94Å; R157-L202 HydrophobicContact CB-CD2 4.01Å; R157-L202 HydrophobicContact CG-CD2 4.02Å; L160-L202 HydrophobicContact CD2-CD1 4.21Å; L160-L202 HydrophobicContact CD2-CD2 4.18Å; L160-L202 HydrophobicContact CG-CD1 4.15Å; A161-L202 HydrophobicContact CB-CD1 4.21Å; G198-L202 PolarHBondContact O-N 3.47Å; I199-L202 VanDerWaalsContact O-CB 3.26Å; I199-L202 WeakPolarHBondContact O-CB 3.34Å; I199-L202 WeakPolarHBondContact O-CG 3.33Å; I199-L202 PolarHBondContact O-N 3.4Å; I199-L202 VanDerWaalsContact O-N 3.11Å; F200-L202 PolarHBondContact O-N 3.38Å; L202-R204 PolarHBondContact O-N 2.84Å; L202-L207 HydrophobicContact CB-CD1 4.08Å; L202-L207 HydrophobicContact CD1-CD1 3.83Å
203N87Confident90.4Very high22 Ų2231 Ų3112%0.11816%0.158CC..  trans51.653.4172.2-169.647.7000112.3F200 L201 M285 L286 S287 T288 L289F200-N203 PolarHBondContact O-N 3.04Å; F200-N203 VanDerWaalsContact O-N 3.12Å; L201-N203 PolarHBondContact O-N 3.48Å; N203-M285 VanDerWaalsContact CG-O 3.26Å; N203-M285 PolarHBondContact ND2-O 3.24Å; N203-M285 VanDerWaalsContact ND2-O 3.09Å; N203-L286 WeakPolarHBondContact OD1-CA 3.21Å; N203-S287 PolarHBondContact ND2-OG 2.92Å; N203-T288 PolarHBondContact ND2-N 3.4Å; N203-T288 PolarHBondContact ND2-OG1 3.1Å; N203-T288 PolarHBondContact O-OG1 3.2Å; N203-T288 VanDerWaalsContact O-OG1 3.12Å; N203-T288 WeakPolarHBondContact OD1-CA 3.33Å; N203-T288 WeakPolarHBondContact OD1-CB 3.48Å; N203-T288 PolarHBondContact OD1-N 3.18Å; N203-T288 VanDerWaalsContact OD1-N 3.11Å; N203-L289 PolarHBondContact OD1-N 3.34Å
204R87.9Confident90.3Very high106 Ų10634.6 Ų34.640%0.418%0.178SC..  trans-119.8135.3179.5-69.1-66.5-159170.77.4111.2E158 A161 L202 A206 L207 F208E158-R204 IonicContact OE1-NH2 2.63Å; E158-R204 PolarHBondContact OE1-NH2 3.42Å; A161-R204 HydrophobicContact CB-CG 3.92Å; L202-R204 PolarHBondContact O-N 2.84Å; R204-A206 PolarHBondContact O-N 3.28Å; R204-L207 HydrophobicContact CB-CB 4.5Å; R204-L207 HydrophobicContact CB-CD1 4.07Å; R204-L207 HydrophobicContact CB-CG 4.09Å; R204-L207 PolarHBondContact O-N 2.98Å; R204-F208 PolarHBondContact O-N 2.74Å; R204-F208 VanDerWaalsContact O-N 3.15Å
205T90.6Very high90.3Very high73 Ų7337.9 Ų37.945%0.44819%0.193SC..Hα-helixtrans-58.8-47.3-176.4-47.40000113.1L207 F208 E209 T288T205-L207 VanDerWaalsContact C-N 3.26Å; T205-L207 PolarHBondContact O-N 3.21Å; T205-F208 WeakPolarHBondContact O-CB 3.41Å; T205-F208 PolarHBondContact O-N 2.96Å; T205-F208 VanDerWaalsContact O-N 3.09Å; T205-E209 WeakPolarHBondContact O-CG 3.49Å; T205-E209 PolarHBondContact O-N 3.45Å; T205-T288 WeakPolarHBondContact OG1-CG2 2.78Å
206A90.3Very high90.4Very high27 Ų2738.2 Ų38.222%0.22320%0.196CC..Hα-helixtrans-60.6-35-178.500000112.8E165 R204 V210E165-A206 HydrophobicContact CG-CB 4.23Å; E165-A206 WeakPolarHBondContact OE1-CB 3.34Å; R204-A206 PolarHBondContact O-N 3.28Å; A206-V210 PolarHBondContact O-N 3.3Å
207L91.6Very high90.4Very high2 Ų238.2 Ų38.21%0.0120%0.196CC..Hα-helixtrans-70.8-43.1176-57.6-179000110.7A161 V164 E165 I170 I199 L202 R204 T205 E209 V210 M211A161-L207 HydrophobicContact CB-CD1 4.21Å; V164-L207 HydrophobicContact CB-CD2 4.25Å; V164-L207 HydrophobicContact CG1-CD2 3.81Å; E165-L207 HydrophobicContact CB-CD2 4.21Å; I170-L207 HydrophobicContact CD1-CB 4.34Å; I170-L207 HydrophobicContact CD1-CD2 3.96Å; I199-L207 HydrophobicContact CG2-CD1 4.21Å; L202-L207 HydrophobicContact CB-CD1 4.08Å; L202-L207 HydrophobicContact CD1-CD1 3.83Å; R204-L207 HydrophobicContact CB-CB 4.5Å; R204-L207 HydrophobicContact CB-CD1 4.07Å; R204-L207 HydrophobicContact CB-CG 4.09Å; R204-L207 PolarHBondContact O-N 2.98Å; T205-L207 VanDerWaalsContact C-N 3.26Å; T205-L207 PolarHBondContact O-N 3.21Å; L207-E209 VanDerWaalsContact C-N 3.35Å; L207-E209 PolarHBondContact O-N 3.4Å; L207-V210 PolarHBondContact O-N 3.45Å; L207-M211 WeakPolarHBondContact O-CB 3.39Å; L207-M211 VanDerWaalsContact O-CG 3.26Å; L207-M211 WeakPolarHBondContact O-CG 3.33Å; L207-M211 PolarHBondContact O-N 2.91Å
208F92.5Very high90.4Very high1 Ų137.3 Ų37.30%0.00419%0.193CC..Hα-helixtrans-61.5-38.8175.2-69.5-24.9000113F200 R204 T205 V210 M211 F212 T288 L289 F292F200-F208 AromaticContact CD2-CE1 3.88Å; F200-F208 HydrophobicContact CD2-CE1 3.88Å; F200-F208 HydrophobicContact CE2-CE1 4.19Å; F200-F208 HydrophobicContact CG-CE1 4.24Å; R204-F208 PolarHBondContact O-N 2.74Å; R204-F208 VanDerWaalsContact O-N 3.15Å; T205-F208 WeakPolarHBondContact O-CB 3.41Å; T205-F208 PolarHBondContact O-N 2.96Å; T205-F208 VanDerWaalsContact O-N 3.09Å; F208-V210 VanDerWaalsContact C-N 3.28Å; F208-V210 PolarHBondContact O-N 2.87Å; F208-M211 PolarHBondContact O-N 3.4Å; F208-F212 HydrophobicContact CB-CD2 3.68Å; F208-F212 HydrophobicContact CB-CE2 3.49Å; F208-F212 VanDerWaalsContact CB-CE2 3.49Å; F208-F212 HydrophobicContact CB-CZ 4.42Å; F208-F212 HydrophobicContact CD1-CD2 4.37Å; F208-F212 AromaticContact CD1-CE2 3.43Å; F208-F212 HydrophobicContact CD1-CE2 3.43Å; F208-F212 VanDerWaalsContact CD1-CE2 3.43Å; F208-F212 AromaticContact CD1-CZ 3.56Å; F208-F212 HydrophobicContact CD1-CZ 3.56Å; F208-F212 HydrophobicContact CD2-CE2 4.25Å; F208-F212 HydrophobicContact CE1-CE2 4.18Å; F208-F212 HydrophobicContact CE1-CZ 4.01Å; F208-F212 HydrophobicContact CG-CD2 4.19Å; F208-F212 AromaticContact CG-CE2 3.47Å; F208-F212 HydrophobicContact CG-CE2 3.47Å; F208-F212 VanDerWaalsContact CG-CE2 3.47Å; F208-F212 HydrophobicContact CG-CZ 4.11Å; F208-F212 VanDerWaalsContact O-CB 3.26Å; F208-F212 WeakPolarHBondContact O-CB 3.45Å; F208-F212 VanDerWaalsContact O-CD2 3.26Å; F208-F212 WeakPolarHBondContact O-CD2 3.4Å; F208-F212 WeakPolarHBondContact O-CG 3.49Å; F208-F212 PolarHBondContact O-N 2.84Å; F208-T288 HydrophobicContact CD2-CG2 4.05Å; F208-T288 HydrophobicContact CE2-CG2 4.09Å; F208-L289 HydrophobicContact CE2-CB 3.93Å; F208-L289 HydrophobicContact CE2-CD1 4.3Å; F208-L289 HydrophobicContact CZ-CB 4.17Å; F208-L289 HydrophobicContact CZ-CD1 4.26Å; F208-F292 HydrophobicContact CB-CD2 4.21Å; F208-F292 HydrophobicContact CB-CE2 4.47Å
209E90.9Very high90.6Very high121 Ų12138.1 Ų38.157%0.56520%0.196SC*.Hα-helixtrans-58.4-39.9174.4-73.8176.5-172.500112.3T205 L207 S213 F292T205-E209 WeakPolarHBondContact O-CG 3.49Å; T205-E209 PolarHBondContact O-N 3.45Å; L207-E209 VanDerWaalsContact C-N 3.35Å; L207-E209 PolarHBondContact O-N 3.4Å; E209-S213 PolarHBondContact O-N 3.37Å; E209-F292 HydrophobicContact CG-CE2 4.34Å
210V92Very high90.8Very high45 Ų4538 Ų3827%0.27320%0.196SC..Hα-helixtrans-75.3-50.1177.1179.80000111.1I170 R171 A206 L207 F208 F212 S213 C216I170-V210 HydrophobicContact CB-CG1 4.09Å; I170-V210 HydrophobicContact CD1-CB 4.15Å; I170-V210 HydrophobicContact CD1-CG1 4.16Å; I170-V210 HydrophobicContact CG2-CG1 4.1Å; R171-V210 HydrophobicContact CG-CG1 4.44Å; A206-V210 PolarHBondContact O-N 3.3Å; L207-V210 PolarHBondContact O-N 3.45Å; F208-V210 VanDerWaalsContact C-N 3.28Å; F208-V210 PolarHBondContact O-N 2.87Å; V210-F212 VanDerWaalsContact C-N 3.34Å; V210-F212 PolarHBondContact O-N 3.22Å; V210-S213 WeakPolarHBondContact O-CB 3.46Å; V210-S213 PolarHBondContact O-N 3.1Å; V210-S213 PolarHBondContact O-OG 3.09Å; V210-C216 WeakPolarHBondContact O-CB 3.47Å
211M92.4Very high90.9Very high0 Ų038 Ų380%020%0.196CC..Hα-helixtrans-61-41.7-177.4-70.317972.500112.3I170 I196 I199 F200 L207 F208 I217 V220I170-M211 HydrophobicContact CD1-CG 3.88Å; I170-M211 HydrophobicContact CG2-CG 4.11Å; I196-M211 HydrophobicContact CG2-CE 3.97Å; I199-M211 HydrophobicContact CG2-SD 3.84Å; F200-M211 HydrophobicContact CB-CE 4.13Å; F200-M211 HydrophobicContact CD2-CE 4.33Å; L207-M211 WeakPolarHBondContact O-CB 3.39Å; L207-M211 VanDerWaalsContact O-CG 3.26Å; L207-M211 WeakPolarHBondContact O-CG 3.33Å; L207-M211 PolarHBondContact O-N 2.91Å; F208-M211 PolarHBondContact O-N 3.4Å; M211-I217 WeakPolarHBondContact O-CA 3.49Å; M211-I217 PolarHBondContact O-N 3.25Å; M211-V220 HydrophobicContact CB-CG2 4.18Å; M211-V220 HydrophobicContact CE-CG1 3.76Å; M211-V220 HydrophobicContact CE-CG2 4.49Å
212F93.6Very high90.9Very high1 Ų134.8 Ų34.80%0.00418%0.179CC..THydrogen-bonded Turntrans-93.76.6-176.8-51.2-36.6000113.3F200 F208 V210 I217 Q263 V267 I270 L289 F292F200-F212 HydrophobicContact CD2-CE1 4.37Å; F200-F212 HydrophobicContact CD2-CZ 4.04Å; F200-F212 HydrophobicContact CE2-CE1 4.14Å; F200-F212 AromaticContact CE2-CZ 3.66Å; F200-F212 HydrophobicContact CE2-CZ 3.66Å; F208-F212 HydrophobicContact CB-CD2 3.68Å; F208-F212 HydrophobicContact CB-CE2 3.49Å; F208-F212 VanDerWaalsContact CB-CE2 3.49Å; F208-F212 HydrophobicContact CB-CZ 4.42Å; F208-F212 HydrophobicContact CD1-CD2 4.37Å; F208-F212 AromaticContact CD1-CE2 3.43Å; F208-F212 HydrophobicContact CD1-CE2 3.43Å; F208-F212 VanDerWaalsContact CD1-CE2 3.43Å; F208-F212 AromaticContact CD1-CZ 3.56Å; F208-F212 HydrophobicContact CD1-CZ 3.56Å; F208-F212 HydrophobicContact CD2-CE2 4.25Å; F208-F212 HydrophobicContact CE1-CE2 4.18Å; F208-F212 HydrophobicContact CE1-CZ 4.01Å; F208-F212 HydrophobicContact CG-CD2 4.19Å; F208-F212 AromaticContact CG-CE2 3.47Å; F208-F212 HydrophobicContact CG-CE2 3.47Å; F208-F212 VanDerWaalsContact CG-CE2 3.47Å; F208-F212 HydrophobicContact CG-CZ 4.11Å; F208-F212 VanDerWaalsContact O-CB 3.26Å; F208-F212 WeakPolarHBondContact O-CB 3.45Å; F208-F212 VanDerWaalsContact O-CD2 3.26Å; F208-F212 WeakPolarHBondContact O-CD2 3.4Å; F208-F212 WeakPolarHBondContact O-CG 3.49Å; F208-F212 PolarHBondContact O-N 2.84Å; V210-F212 VanDerWaalsContact C-N 3.34Å; V210-F212 PolarHBondContact O-N 3.22Å; F212-I217 HydrophobicContact CB-CD1 4.2Å; F212-I217 HydrophobicContact CD1-CD1 4.45Å; F212-Q263 HydrophobicContact CB-CG 4.39Å; F212-Q263 PolarHBondContact O-NE2 3.05Å; F212-V267 HydrophobicContact CB-CG2 3.81Å; F212-V267 HydrophobicContact CD1-CG2 3.86Å; F212-V267 HydrophobicContact CD2-CG1 4.24Å; F212-V267 HydrophobicContact CD2-CG2 3.68Å; F212-V267 HydrophobicContact CE1-CG2 4.36Å; F212-V267 HydrophobicContact CE2-CG1 4.01Å; F212-V267 HydrophobicContact CE2-CG2 4.19Å; F212-V267 HydrophobicContact CG-CG2 3.5Å; F212-V267 HydrophobicContact CZ-CG1 4.32Å; F212-I270 HydrophobicContact CD1-CD1 4.34Å; F212-I270 HydrophobicContact CE1-CD1 4.02Å; F212-L289 HydrophobicContact CE2-CD1 3.58Å; F212-L289 HydrophobicContact CZ-CD1 3.68Å; F212-F292 HydrophobicContact CB-CE1 4.34Å; F212-F292 HydrophobicContact CB-CZ 4.2Å; F212-F292 HydrophobicContact CD2-CD1 4.09Å; F212-F292 AromaticContact CD2-CE1 3.84Å; F212-F292 HydrophobicContact CD2-CE1 3.84Å; F212-F292 HydrophobicContact CD2-CE2 4.43Å; F212-F292 HydrophobicContact CD2-CZ 4.02Å
213S92.3Very high91.1Very high27 Ų2734.4 Ų34.419%0.18918%0.177CC..SBendtrans-58.6149169.267.40000110.7E209 V210 E215 C216 I217E209-S213 PolarHBondContact O-N 3.37Å; V210-S213 WeakPolarHBondContact O-CB 3.46Å; V210-S213 PolarHBondContact O-N 3.1Å; V210-S213 PolarHBondContact O-OG 3.09Å; S213-E215 PolarHBondContact O-N 2.9Å; S213-E215 VanDerWaalsContact O-N 3.17Å; S213-C216 PolarHBondContact O-N 3.15Å; S213-C216 WeakPolarHBondContact OG-CB 3.14Å; S213-C216 PolarHBondContact OG-SG 3.27Å; S213-C216 VanDerWaalsContact OG-SG 3.32Å; S213-I217 WeakPolarHBondContact O-CB 3.47Å; S213-I217 PolarHBondContact O-N 3.42Å
214D87.6Confident91.2Very high82 Ų8233.6 Ų33.644%0.43917%0.173SC..THydrogen-bonded Turntrans-60.2-30.7-174.6-174.658.3000113Q259 R266D214-Q259 HydrophobicContact CB-CG 4.17Å; D214-R266 IonicContact OD1-NH1 3.72Å; D214-R266 PolarHBondContact OD1-NH1 3.38Å
215E89.9Confident91.4Very high147 Ų14729.1 Ų29.169%0.68716%0.156SC*.THydrogen-bonded Turntrans-71.2-28.1175.8-60.8-179176.700113.6S213S213-E215 PolarHBondContact O-N 2.9Å; S213-E215 VanDerWaalsContact O-N 3.17Å
216C92.7Very high91.3Very high7 Ų727.1 Ų27.15%0.04714%0.141CC..THydrogen-bonded Turntrans-107-30.2-170.5-63.10000113.4L174 V210 S213 M218 D219 V220L174-C216 HydrophobicContact CD1-CB 3.6Å; V210-C216 WeakPolarHBondContact O-CB 3.47Å; S213-C216 PolarHBondContact O-N 3.15Å; S213-C216 WeakPolarHBondContact OG-CB 3.14Å; S213-C216 PolarHBondContact OG-SG 3.27Å; S213-C216 VanDerWaalsContact OG-SG 3.32Å; C216-M218 VanDerWaalsContact C-N 3.29Å; C216-M218 PolarHBondContact O-N 3Å; C216-D219 PolarHBondContact O-N 3.11Å; C216-V220 WeakPolarHBondContact O-CG2 3.5Å; C216-V220 PolarHBondContact O-N 2.83Å
217I92.1Very high91.1Very high1 Ų127.7 Ų27.71%0.00514%0.141CC..Hα-helixtrans-58.6-38.2-167-167.8165000113.3M211 F212 S213 V220 I221 R266 V267M211-I217 WeakPolarHBondContact O-CA 3.49Å; M211-I217 PolarHBondContact O-N 3.25Å; F212-I217 HydrophobicContact CB-CD1 4.2Å; F212-I217 HydrophobicContact CD1-CD1 4.45Å; S213-I217 WeakPolarHBondContact O-CB 3.47Å; S213-I217 PolarHBondContact O-N 3.42Å; I217-V220 PolarHBondContact O-N 3.45Å; I217-I221 HydrophobicContact CG1-CD1 4.19Å; I217-I221 VanDerWaalsContact O-CG1 3.24Å; I217-I221 WeakPolarHBondContact O-CG1 3.32Å; I217-I221 PolarHBondContact O-N 2.88Å; I217-R266 HydrophobicContact CD1-CB 3.45Å; I217-R266 VanDerWaalsContact CD1-CB 3.45Å; I217-R266 HydrophobicContact CD1-CG 4.34Å; I217-R266 HydrophobicContact CG1-CB 4.22Å; I217-V267 HydrophobicContact CD1-CG2 4.05Å
218M91.6Very high90.7Very high39 Ų3930.3 Ų30.319%0.19216%0.158CC..Hα-helixtrans-68-39.7177.8-70-58.2-6500111.6C216 I221 G222 R237 T241C216-M218 VanDerWaalsContact C-N 3.29Å; C216-M218 PolarHBondContact O-N 3Å; M218-I221 PolarHBondContact O-N 3.14Å; M218-G222 PolarHBondContact O-N 3.45Å; M218-R237 HydrophobicContact CE-CB 3.89Å; M218-R237 HydrophobicContact CE-CG 3.85Å; M218-R237 VanDerWaalsContact O-CD 3.23Å; M218-R237 WeakPolarHBondContact O-CD 3.29Å; M218-T241 HydrophobicContact CE-CG2 3.57Å
219D92.6Very high90.3Very high20 Ų2034.3 Ų34.311%0.10719%0.192CC..Hα-helixtrans-70.8-36.2176.9-64.3-27.6000111.5L174 F177 R178 C216 I221 G222 C223L174-D219 HydrophobicContact CB-CB 4.28Å; L174-D219 HydrophobicContact CD1-CB 4.29Å; L174-D219 HydrophobicContact CD2-CB 3.94Å; L174-D219 HydrophobicContact CG-CB 4.38Å; F177-D219 HydrophobicContact CD1-CB 4.35Å; R178-D219 IonicContact CZ-OD2 3.86Å; R178-D219 IonicContact NE-OD1 2.65Å; R178-D219 IonicContact NE-OD2 3.59Å; R178-D219 PolarHBondContact NE-OD2 3.39Å; R178-D219 IonicContact NH2-OD2 3.82Å; R178-D219 PolarHBondContact NH2-OD2 3.12Å; C216-D219 PolarHBondContact O-N 3.11Å; D219-I221 VanDerWaalsContact C-N 3.34Å; D219-I221 PolarHBondContact O-N 3.46Å; D219-G222 CarbonylContact O-C 3.48Å; D219-G222 WeakPolarHBondContact O-CA 3.37Å; D219-G222 PolarHBondContact O-N 2.87Å; D219-G222 VanDerWaalsContact O-N 3.16Å; D219-C223 PolarHBondContact O-N 2.91Å; D219-C223 PolarHBondContact O-SG 3.5Å; D219-C223 VanDerWaalsContact O-SG 3.37Å
220V93.2Very high89.9Confident0 Ų031.3 Ų31.30%018%0.179CC..Hα-helixtrans-59.9-46.1172.6171.30000110.5L174 I196 M211 C216 I217 G222 C223 L224L174-V220 HydrophobicContact CD1-CG2 3.97Å; L174-V220 HydrophobicContact CD2-CG2 3.99Å; I196-V220 HydrophobicContact CG2-CG1 4.01Å; M211-V220 HydrophobicContact CB-CG2 4.18Å; M211-V220 HydrophobicContact CE-CG1 3.76Å; M211-V220 HydrophobicContact CE-CG2 4.49Å; C216-V220 WeakPolarHBondContact O-CG2 3.5Å; C216-V220 PolarHBondContact O-N 2.83Å; I217-V220 PolarHBondContact O-N 3.45Å; V220-G222 VanDerWaalsContact C-N 3.29Å; V220-G222 PolarHBondContact O-N 3.46Å; V220-C223 PolarHBondContact O-N 2.95Å; V220-L224 HydrophobicContact CG1-CD1 4.38Å; V220-L224 WeakPolarHBondContact O-CG 3.36Å; V220-L224 PolarHBondContact O-N 3.46Å
221I91.2Very high89.1Confident0 Ų035.1 Ų35.10%021%0.205CC..Hα-helixtrans-61.7-42.4174.7-66.9166.9000110I217 M218 D219 C223 L224 E225 H236 R237 L240 R266 I270I217-I221 HydrophobicContact CG1-CD1 4.19Å; I217-I221 VanDerWaalsContact O-CG1 3.24Å; I217-I221 WeakPolarHBondContact O-CG1 3.32Å; I217-I221 PolarHBondContact O-N 2.88Å; M218-I221 PolarHBondContact O-N 3.14Å; D219-I221 VanDerWaalsContact C-N 3.34Å; D219-I221 PolarHBondContact O-N 3.46Å; I221-C223 PolarHBondContact O-N 3.09Å; I221-L224 CarbonylContact O-C 3.58Å; I221-L224 WeakPolarHBondContact O-CA 3.43Å; I221-L224 WeakPolarHBondContact O-CB 3.35Å; I221-L224 PolarHBondContact O-N 3.16Å; I221-E225 WeakPolarHBondContact O-CG 3.31Å; I221-E225 PolarHBondContact O-N 3.46Å; I221-E225 VanDerWaalsContact O-N 3.15Å; I221-H236 HydrophobicContact CG2-CB 3.56Å; I221-R237 HydrophobicContact CB-CG 4.36Å; I221-R237 HydrophobicContact CG2-CG 4Å; I221-L240 HydrophobicContact CD1-CD1 3.54Å; I221-L240 HydrophobicContact CG2-CD1 4.29Å; I221-R266 HydrophobicContact CD1-CB 4.43Å; I221-I270 HydrophobicContact CD1-CD1 4.13Å; I221-I270 HydrophobicContact CD1-CG1 4.21Å; I221-I270 HydrophobicContact CG1-CD1 3.73Å; I221-I270 HydrophobicContact CG1-CG1 3.82Å
222G90.4Very high88.4Confident0 Ų042.1 Ų42.10%024%0.237CC..Hα-helixtrans-56.4-45.317500000113.5F177 M218 D219 V220 L224 E225 F226 R237F177-G222 VanDerWaalsContact CZ-C 3.41Å; M218-G222 PolarHBondContact O-N 3.45Å; D219-G222 CarbonylContact O-C 3.48Å; D219-G222 WeakPolarHBondContact O-CA 3.37Å; D219-G222 PolarHBondContact O-N 2.87Å; D219-G222 VanDerWaalsContact O-N 3.16Å; V220-G222 VanDerWaalsContact C-N 3.29Å; V220-G222 PolarHBondContact O-N 3.46Å; G222-L224 PolarHBondContact O-N 3.34Å; G222-E225 VanDerWaalsContact O-CB 3.32Å; G222-E225 WeakPolarHBondContact O-CB 3.5Å; G222-E225 PolarHBondContact O-N 3.15Å; G222-E225 VanDerWaalsContact O-N 3.16Å; G222-F226 VanDerWaalsContact O-CD2 3.22Å; G222-F226 WeakPolarHBondContact O-CD2 3.45Å; G222-F226 WeakPolarHBondContact O-CE2 3.41Å; G222-R237 VanDerWaalsContact CA-NE 3.31Å
223C90.9Very high87.8Confident1 Ų145 Ų451%0.00726%0.256CS..Hα-helixtrans-58.1-40.2172.6-67.90000111.6F177 Y193 I196 D219 V220 I221 E225F177-C223 HydrophobicContact CD2-CB 4.35Å; F177-C223 WeakPolarHBondContact CD2-SG 3.18Å; F177-C223 HydrophobicContact CE2-CB 4.48Å; F177-C223 WeakPolarHBondContact CG-SG 3.47Å; Y193-C223 WeakPolarHBondContact CB-O 3.31Å; I196-C223 HydrophobicContact CB-CB 4.19Å; I196-C223 HydrophobicContact CG1-CB 3.88Å; I196-C223 HydrophobicContact CG2-CB 4.28Å; D219-C223 PolarHBondContact O-N 2.91Å; D219-C223 PolarHBondContact O-SG 3.5Å; D219-C223 VanDerWaalsContact O-SG 3.37Å; V220-C223 PolarHBondContact O-N 2.95Å; I221-C223 PolarHBondContact O-N 3.09Å; C223-E225 PolarHBondContact O-N 3.36Å
224L90.1Very high87.4Confident5 Ų549.6 Ų49.63%0.02627%0.269CS..Hα-helixtrans-75.2-6.6-179-64.4173.3000114Y193 I196 K197 V220 I221 G222 F226 I270 V274 L275Y193-L224 HydrophobicContact CD2-CD2 4.35Å; Y193-L224 HydrophobicContact CE2-CD2 4.31Å; Y193-L224 WeakPolarHBondContact CE2-O 3.5Å; I196-L224 HydrophobicContact CG2-CD2 4.12Å; I196-L224 HydrophobicContact CG2-CG 4.21Å; K197-L224 HydrophobicContact CB-CD2 4.24Å; V220-L224 HydrophobicContact CG1-CD1 4.38Å; V220-L224 WeakPolarHBondContact O-CG 3.36Å; V220-L224 PolarHBondContact O-N 3.46Å; I221-L224 CarbonylContact O-C 3.58Å; I221-L224 WeakPolarHBondContact O-CA 3.43Å; I221-L224 WeakPolarHBondContact O-CB 3.35Å; I221-L224 PolarHBondContact O-N 3.16Å; G222-L224 PolarHBondContact O-N 3.34Å; L224-F226 VanDerWaalsContact C-N 3.34Å; L224-I270 HydrophobicContact CD1-CG2 4.29Å; L224-V274 HydrophobicContact CB-CG1 3.58Å; L224-V274 HydrophobicContact CD1-CG1 3.9Å; L224-V274 HydrophobicContact CG-CG1 4.31Å; L224-L275 HydrophobicContact CD1-CD1 4.16Å; L224-L275 HydrophobicContact CD2-CD1 4.24Å
225E91.1Very high87.3Confident12 Ų1253.6 Ų53.66%0.05628%0.278CS..THydrogen-bonded Turntrans-72.4-28.2174.3-65.4-174.2144.500112.7I221 G222 C223 D227 P233 R234 H236 R237I221-E225 WeakPolarHBondContact O-CG 3.31Å; I221-E225 PolarHBondContact O-N 3.46Å; I221-E225 VanDerWaalsContact O-N 3.15Å; G222-E225 VanDerWaalsContact O-CB 3.32Å; G222-E225 WeakPolarHBondContact O-CB 3.5Å; G222-E225 PolarHBondContact O-N 3.15Å; G222-E225 VanDerWaalsContact O-N 3.16Å; C223-E225 PolarHBondContact O-N 3.36Å; E225-D227 PolarHBondContact O-N 3.02Å; E225-P233 HydrophobicContact CB-CB 4.36Å; E225-P233 CarbonylContact O-C 3.5Å; E225-P233 WeakPolarHBondContact O-CA 3.4Å; E225-P233 WeakPolarHBondContact O-CB 3.04Å; E225-R234 WeakPolarHBondContact CB-O 3.29Å; E225-R234 VanDerWaalsContact CD-O 3.27Å; E225-R234 WeakPolarHBondContact CG-O 3.45Å; E225-R234 PolarHBondContact O-N 3.43Å; E225-H236 HydrophobicContact CG-CB 4.15Å; E225-H236 PolarHBondContact OE1-N 3.16Å; E225-R237 WeakPolarHBondContact OE1-CB 3.43Å; E225-R237 PolarHBondContact OE1-N 3.2Å; E225-R237 IonicContact OE1-NE 2.79Å; E225-R237 IonicContact OE2-CZ 3.83Å; E225-R237 IonicContact OE2-NE 3.72Å; E225-R237 PolarHBondContact OE2-NE 2.94Å; E225-R237 IonicContact OE2-NH2 3.34Å; E225-R237 PolarHBondContact OE2-NH2 2.58Å
226F88Confident87.2Confident31 Ų3147.2 Ų47.214%0.13625%0.248CC..  trans-94.752.1-170.3-63.8-83.4000112.8F177 L189 H190 Y193 G222 L224 P228 P233F177-F226 HydrophobicContact CE2-CD2 4.05Å; F177-F226 AromaticContact CE2-CE2 3.82Å; F177-F226 HydrophobicContact CE2-CE2 3.82Å; F177-F226 HydrophobicContact CZ-CE2 4.13Å; L189-F226 HydrophobicContact CB-CB 4.15Å; L189-F226 HydrophobicContact CB-CD1 4.12Å; L189-F226 HydrophobicContact CB-CD2 4.26Å; L189-F226 HydrophobicContact CB-CG 3.91Å; L189-F226 HydrophobicContact CD1-CD1 4.02Å; L189-F226 HydrophobicContact CD1-CE1 3.72Å; L189-F226 HydrophobicContact CD1-CE2 4.31Å; L189-F226 HydrophobicContact CD1-CG 4.43Å; L189-F226 HydrophobicContact CD1-CZ 3.88Å; L189-F226 HydrophobicContact CD2-CD2 4.28Å; L189-F226 HydrophobicContact CD2-CE2 4.18Å; H190-F226 PolarHBondContact CD2-O 3.11Å; Y193-F226 WeakPolarHBondContact CB-O 3.21Å; G222-F226 VanDerWaalsContact O-CD2 3.22Å; G222-F226 WeakPolarHBondContact O-CD2 3.45Å; G222-F226 WeakPolarHBondContact O-CE2 3.41Å; L224-F226 VanDerWaalsContact C-N 3.34Å; F226-P228 WeakPolarHBondContact O-CD 3.34Å; F226-P233 HydrophobicContact CD1-CB 3.83Å; F226-P233 HydrophobicContact CD1-CG 4.33Å; F226-P233 HydrophobicContact CE1-CB 3.92Å; F226-P233 HydrophobicContact CE1-CG 4.05Å; F226-P233 HydrophobicContact CG-CB 4.41Å
227D86.3Confident87Confident40 Ų4049 Ų4921%0.21425%0.254CS..  trans-62.3119176.3-171.1-23.3000111Y193 E225 A229 L230Y193-D227 HydrophobicContact CD2-CB 4.32Å; Y193-D227 HydrophobicContact CE1-CB 4.47Å; Y193-D227 HydrophobicContact CE2-CB 3.72Å; Y193-D227 PolarHBondContact OH-OD2 3.2Å; E225-D227 PolarHBondContact O-N 3.02Å; D227-A229 PolarHBondContact O-N 3.1Å; D227-A229 VanDerWaalsContact O-N 3.11Å; D227-A229 VanDerWaalsContact OD1-CB 3.24Å; D227-A229 WeakPolarHBondContact OD1-CB 3.42Å; D227-A229 PolarHBondContact OD1-N 2.98Å; D227-L230 HydrophobicContact CB-CB 4.48Å; D227-L230 HydrophobicContact CB-CD1 4.14Å; D227-L230 HydrophobicContact CB-CG 4.23Å; D227-L230 PolarHBondContact O-N 2.74Å
228P84.4Confident86.7Confident56 Ų5652.1 Ų52.136%0.36427%0.269SS..THydrogen-bonded Turntrans-60.7-21178.9-20.931.5000113.9H190 Y193 E194 F226 L230H190-P228 HydrophobicContact CB-CB 4.49Å; H190-P228 HydrophobicContact CB-CG 3.92Å; Y193-P228 HydrophobicContact CD1-CG 4.16Å; E194-P228 HydrophobicContact CG-CG 4.48Å; F226-P228 WeakPolarHBondContact O-CD 3.34Å; P228-L230 VanDerWaalsContact C-N 3.28Å
229A83.9Confident86.4Confident86 Ų8652.9 Ų52.971%0.71127%0.271SS*.THydrogen-bonded Turntrans-75.9-15.7177.700000113.1D227D227-A229 PolarHBondContact O-N 3.1Å; D227-A229 VanDerWaalsContact O-N 3.11Å; D227-A229 VanDerWaalsContact OD1-CB 3.24Å; D227-A229 WeakPolarHBondContact OD1-CB 3.42Å; D227-A229 PolarHBondContact OD1-N 2.98Å
230L81.4Confident86Confident57 Ų5752.8 Ų52.830%0.29827%0.27SS..SBendtrans-105.6141.8-177.9-62.6177.6000111.7D227 P228 Q232 R234D227-L230 HydrophobicContact CB-CB 4.48Å; D227-L230 HydrophobicContact CB-CD1 4.14Å; D227-L230 HydrophobicContact CB-CG 4.23Å; D227-L230 PolarHBondContact O-N 2.74Å; P228-L230 VanDerWaalsContact C-N 3.28Å; L230-Q232 VanDerWaalsContact C-N 3.31Å; L230-Q232 PolarHBondContact O-N 3.05Å; L230-R234 HydrophobicContact CD1-CG 3.79Å
231P75Confident85.4Confident126 Ų12657.1 Ų57.182%0.81830%0.297SS*.SBendtrans-73.4-21.1-179.527.1-33000113.9
232Q78.8Confident84.7Confident146 Ų14663.6 Ų63.668%0.68233%0.325SS*.SBendtrans-135.8147.4173.9-69.4-167.119.200110.1L230L230-Q232 VanDerWaalsContact C-N 3.31Å; L230-Q232 PolarHBondContact O-N 3.05Å
233P81.4Confident83.7Confident62 Ų6266.8 Ų66.840%0.40335%0.345SS..  trans-66.3142.2178.328-34000110.9E225 F226E225-P233 HydrophobicContact CB-CB 4.36Å; E225-P233 CarbonylContact O-C 3.5Å; E225-P233 WeakPolarHBondContact O-CA 3.4Å; E225-P233 WeakPolarHBondContact O-CB 3.04Å; F226-P233 HydrophobicContact CD1-CB 3.83Å; F226-P233 HydrophobicContact CD1-CG 4.33Å; F226-P233 HydrophobicContact CE1-CB 3.92Å; F226-P233 HydrophobicContact CE1-CG 4.05Å; F226-P233 HydrophobicContact CG-CB 4.41Å
234R82.7Confident82.9Confident123 Ų12367.2 Ų67.246%0.46435%0.348SS..  trans-74136.8172.1-69.9-174175.1-169.7-0.9109.3E225 L230 H236 M273E225-R234 WeakPolarHBondContact CB-O 3.29Å; E225-R234 VanDerWaalsContact CD-O 3.27Å; E225-R234 WeakPolarHBondContact CG-O 3.45Å; E225-R234 PolarHBondContact O-N 3.43Å; L230-R234 HydrophobicContact CD1-CG 3.79Å; R234-H236 VanDerWaalsContact C-N 3.32Å; R234-H236 VanDerWaalsContact CB-NE2 3.3Å; R234-H236 WeakPolarHBondContact CB-NE2 3.46Å; R234-H236 VanDerWaalsContact CD-NE2 3.29Å; R234-H236 WeakPolarHBondContact CD-NE2 3.26Å; R234-H236 PolarHBondContact O-N 3.21Å; R234-H236 VanDerWaalsContact O-N 3.14Å; R234-M273 PolarHBondContact NH1-O 2.82Å
235R86.1Confident82Confident167 Ų16775.3 Ų75.363%0.6338%0.378SS*.  trans-92.356.9-175.4-54.8-164.7-174.3176.52.9112.9E238 F239R235-E238 HydrophobicContact CB-CB 3.97Å; R235-E238 WeakPolarHBondContact CD-OE2 3.13Å; R235-E238 IonicContact CZ-OE2 3.02Å; R235-E238 IonicContact NE-OE2 3.16Å; R235-E238 IonicContact NH1-OE2 2.73Å; R235-E238 PolarHBondContact NH1-OE2 2.87Å; R235-E238 PolarHBondContact O-N 3.23Å; R235-F239 PolarHBondContact O-N 3.35Å
236H87.6Confident81.4Confident12 Ų1276.7 Ų76.76%0.05638%0.384CS..Hα-helixtrans-62.7-43.1-177.4-66.4-57000113.3I221 E225 R234 F239 L240 Y269I221-H236 HydrophobicContact CG2-CB 3.56Å; E225-H236 HydrophobicContact CG-CB 4.15Å; E225-H236 PolarHBondContact OE1-N 3.16Å; R234-H236 VanDerWaalsContact C-N 3.32Å; R234-H236 VanDerWaalsContact CB-NE2 3.3Å; R234-H236 WeakPolarHBondContact CB-NE2 3.46Å; R234-H236 VanDerWaalsContact CD-NE2 3.29Å; R234-H236 WeakPolarHBondContact CD-NE2 3.26Å; R234-H236 PolarHBondContact O-N 3.21Å; R234-H236 VanDerWaalsContact O-N 3.14Å; H236-F239 PolarHBondContact O-N 3.27Å; H236-L240 WeakPolarHBondContact O-CB 3.45Å; H236-L240 WeakPolarHBondContact O-CG 3.3Å; H236-L240 PolarHBondContact O-N 2.69Å; H236-Y269 HydrophobicContact CB-CE1 4.09Å; H236-Y269 AromaticContact ND1-CE1 3.54Å; H236-Y269 AromaticContact ND1-CZ 3.66Å; H236-Y269 PolarHBondContact ND1-OH 3.49Å
237R88.3Confident80.9Confident46 Ų4679.7 Ų79.717%0.17440%0.397CS..Hα-helixtrans-64.4-39.3176.3-69.9-175.1-72-179.8-4.3111.7E181 M218 I221 G222 E225 L240 T241E181-R237 IonicContact OE1-CZ 3.86Å; E181-R237 IonicContact OE1-NH1 3.8Å; E181-R237 PolarHBondContact OE1-NH1 3.29Å; E181-R237 IonicContact OE1-NH2 3.43Å; E181-R237 PolarHBondContact OE1-NH2 3.47Å; E181-R237 IonicContact OE2-CZ 2.97Å; E181-R237 IonicContact OE2-NH1 2.65Å; E181-R237 PolarHBondContact OE2-NH1 3.11Å; E181-R237 IonicContact OE2-NH2 3.78Å; M218-R237 HydrophobicContact CE-CB 3.89Å; M218-R237 HydrophobicContact CE-CG 3.85Å; M218-R237 VanDerWaalsContact O-CD 3.23Å; M218-R237 WeakPolarHBondContact O-CD 3.29Å; I221-R237 HydrophobicContact CB-CG 4.36Å; I221-R237 HydrophobicContact CG2-CG 4Å; G222-R237 VanDerWaalsContact CA-NE 3.31Å; E225-R237 WeakPolarHBondContact OE1-CB 3.43Å; E225-R237 PolarHBondContact OE1-N 3.2Å; E225-R237 IonicContact OE1-NE 2.79Å; E225-R237 IonicContact OE2-CZ 3.83Å; E225-R237 IonicContact OE2-NE 3.72Å; E225-R237 PolarHBondContact OE2-NE 2.94Å; E225-R237 IonicContact OE2-NH2 3.34Å; E225-R237 PolarHBondContact OE2-NH2 2.58Å; R237-L240 PolarHBondContact O-N 3.32Å; R237-T241 WeakPolarHBondContact O-CB 3.44Å; R237-T241 VanDerWaalsContact O-CG2 3.31Å; R237-T241 WeakPolarHBondContact O-CG2 3.38Å; R237-T241 PolarHBondContact O-N 3.4Å; R237-T241 PolarHBondContact O-OG1 3.16Å
238E85.1Confident80.6Confident66 Ų6680.8 Ų80.831%0.30840%0.401SS..Hα-helixtrans-64.1-45.8176.3-177163.8-145.400110.8R235 T241 K242R235-E238 HydrophobicContact CB-CB 3.97Å; R235-E238 WeakPolarHBondContact CD-OE2 3.13Å; R235-E238 IonicContact CZ-OE2 3.02Å; R235-E238 IonicContact NE-OE2 3.16Å; R235-E238 IonicContact NH1-OE2 2.73Å; R235-E238 PolarHBondContact NH1-OE2 2.87Å; R235-E238 PolarHBondContact O-N 3.23Å; E238-T241 PolarHBondContact O-N 2.76Å; E238-T241 PolarHBondContact O-OG1 3.11Å; E238-K242 HydrophobicContact CG-CD 3.9Å; E238-K242 HydrophobicContact CG-CG 4.37Å; E238-K242 WeakPolarHBondContact O-CB 3.35Å; E238-K242 PolarHBondContact O-N 3.45Å; E238-K242 IonicContact OE1-NZ 2.73Å; E238-K242 PolarHBondContact OE1-NZ 3.15Å
239F85.1Confident80.4Confident55 Ų5579 Ų7924%0.24139%0.39CS..Iπ-helixtrans-56.4-53.4173.8177.9-97.3000111.1R235 H236 T241 T243 A244 Y269R235-F239 PolarHBondContact O-N 3.35Å; H236-F239 PolarHBondContact O-N 3.27Å; F239-T241 PolarHBondContact O-N 2.93Å; F239-T243 HydrophobicContact CD2-CG2 3.71Å; F239-T243 HydrophobicContact CE2-CG2 3.65Å; F239-T243 CarbonylContact O-C 3.21Å; F239-T243 WeakPolarHBondContact O-CA 3.37Å; F239-T243 WeakPolarHBondContact O-CB 3.16Å; F239-T243 PolarHBondContact O-N 3.49Å; F239-A244 HydrophobicContact CD1-CB 4.45Å; F239-A244 HydrophobicContact CE1-CB 4.19Å; F239-A244 WeakPolarHBondContact O-CB 3.46Å; F239-A244 PolarHBondContact O-N 2.81Å; F239-Y269 AromaticContact CD1-CE2 3.66Å; F239-Y269 HydrophobicContact CD1-CE2 3.66Å; F239-Y269 AromaticContact CD1-CZ 3.87Å; F239-Y269 HydrophobicContact CE1-CD2 4.26Å; F239-Y269 AromaticContact CE1-CE2 3.57Å; F239-Y269 HydrophobicContact CE1-CE2 3.57Å
240L84.6Confident80.4Confident17 Ų1775.2 Ų75.29%0.08936%0.357CS..Iπ-helixtrans-67-18.1-176.7-69.8172.1000115I221 H236 R237 A244 Y265 Y269I221-L240 HydrophobicContact CD1-CD1 3.54Å; I221-L240 HydrophobicContact CG2-CD1 4.29Å; H236-L240 WeakPolarHBondContact O-CB 3.45Å; H236-L240 WeakPolarHBondContact O-CG 3.3Å; H236-L240 PolarHBondContact O-N 2.69Å; R237-L240 PolarHBondContact O-N 3.32Å; L240-A244 HydrophobicContact CD2-CB 4.47Å; L240-Y265 HydrophobicContact CD2-CD1 4.28Å; L240-Y265 HydrophobicContact CD2-CE1 3.52Å; L240-Y269 HydrophobicContact CD1-CD1 3.99Å; L240-Y269 HydrophobicContact CD1-CE1 4.22Å; L240-Y269 HydrophobicContact CD2-CD1 4.22Å; L240-Y269 HydrophobicContact CD2-CD2 4.16Å; L240-Y269 HydrophobicContact CD2-CE2 4.49Å; L240-Y269 HydrophobicContact CD2-CG 4.01Å; L240-Y269 HydrophobicContact CG-CD1 4.36Å; L240-Y269 HydrophobicContact CG-CE1 4.38Å
241T82.1Confident80.5Confident91 Ų9177.1 Ų77.156%0.55837%0.373SS*.Iπ-helixtrans-104-34.5-179.352.30000113.6M218 R237 E238 F239M218-T241 HydrophobicContact CE-CG2 3.57Å; R237-T241 WeakPolarHBondContact O-CB 3.44Å; R237-T241 VanDerWaalsContact O-CG2 3.31Å; R237-T241 WeakPolarHBondContact O-CG2 3.38Å; R237-T241 PolarHBondContact O-N 3.4Å; R237-T241 PolarHBondContact O-OG1 3.16Å; E238-T241 PolarHBondContact O-N 2.76Å; E238-T241 PolarHBondContact O-OG1 3.11Å; F239-T241 PolarHBondContact O-N 2.93Å
242K75.9Confident81Confident137 Ų13772.3 Ų72.360%0.59634%0.34SS*.Iπ-helixtrans-108.3-35.8-174.4-59.9-171.6-169.8166.50113.7E238E238-K242 HydrophobicContact CG-CD 3.9Å; E238-K242 HydrophobicContact CG-CG 4.37Å; E238-K242 WeakPolarHBondContact O-CB 3.35Å; E238-K242 PolarHBondContact O-N 3.45Å; E238-K242 IonicContact OE1-NZ 2.73Å; E238-K242 PolarHBondContact OE1-NZ 3.15Å
243T68.9Low81.3Confident67 Ų6769.9 Ų69.941%0.41134%0.339SS..Iπ-helixtrans-96.3-47.6-172.9-45.10000110.1F239 R245F239-T243 HydrophobicContact CD2-CG2 3.71Å; F239-T243 HydrophobicContact CE2-CG2 3.65Å; F239-T243 CarbonylContact O-C 3.21Å; F239-T243 WeakPolarHBondContact O-CA 3.37Å; F239-T243 WeakPolarHBondContact O-CB 3.16Å; F239-T243 PolarHBondContact O-N 3.49Å; T243-R245 PolarHBondContact O-N 3.08Å
244A73.3Confident81.6Confident10 Ų1069.6 Ų69.68%0.08333%0.334CS..SBendtrans-72.190.4175.200000110.4F239 L240 Y265 Y788F239-A244 HydrophobicContact CD1-CB 4.45Å; F239-A244 HydrophobicContact CE1-CB 4.19Å; F239-A244 WeakPolarHBondContact O-CB 3.46Å; F239-A244 PolarHBondContact O-N 2.81Å; L240-A244 HydrophobicContact CD2-CB 4.47Å; A244-Y265 HydrophobicContact CB-CE1 4.33Å; A244-Y788 VanDerWaalsContact CA-CE1 3.41Å; A244-Y788 HydrophobicContact CB-CD1 3.54Å; A244-Y788 HydrophobicContact CB-CE1 3.41Å; A244-Y788 VanDerWaalsContact CB-CE1 3.41Å; A244-Y788 HydrophobicContact CB-CG 4.23Å
245R71.7Confident81.9Confident174 Ų17468.5 Ų68.566%0.65734%0.343SS*.  trans-82.8113.3172.4-63.2-174.7-176.4179.27.5112.6T243 K247 Y788T243-R245 PolarHBondContact O-N 3.08Å; R245-K247 PolarHBondContact O-N 2.94Å; R245-K247 VanDerWaalsContact O-N 3.09Å; R245-Y788 VanDerWaalsContact O-CD1 3.3Å; R245-Y788 WeakPolarHBondContact O-CD1 3.23Å; R245-Y788 VanDerWaalsContact O-CE1 3.24Å; R245-Y788 WeakPolarHBondContact O-CE1 3.43Å
246F78.9Confident82.1Confident41 Ų4166 Ų6618%0.1834%0.339CS..  trans-65.8109.5170.7-178.7-118000110.5E248 I252 R258 I261 H262 V786F246-E248 HydrophobicContact CD1-CG 3.79Å; F246-E248 HydrophobicContact CE1-CG 3.31Å; F246-E248 WeakPolarHBondContact CE1-OE1 3.44Å; F246-E248 HydrophobicContact CZ-CG 4Å; F246-I252 HydrophobicContact CZ-CD1 4.27Å; F246-R258 HydrophobicContact CE1-CG 4.01Å; F246-R258 HydrophobicContact CZ-CG 4.36Å; F246-I261 HydrophobicContact CE2-CG2 3.69Å; F246-I261 HydrophobicContact CZ-CG2 4.29Å; F246-H262 AromaticContact CD1-CE1 3.57Å; F246-H262 AromaticContact CD1-NE2 3.8Å; F246-H262 AromaticContact CD2-CE1 3.64Å; F246-H262 AromaticContact CG-CE1 3.31Å; F246-H262 WeakPolarHBondContact CG-CE1 3.45Å; F246-V786 HydrophobicContact CD2-CG1 4.46Å; F246-V786 HydrophobicContact CD2-CG2 4Å; F246-V786 HydrophobicContact CE2-CG2 3.76Å
247K76.8Confident82.2Confident94 Ų9465.6 Ų65.641%0.40934%0.337SS..  trans-97.6105.4-179.1-169.3176.5-176-178.80110.2R245 V249 E330 V786R245-K247 PolarHBondContact O-N 2.94Å; R245-K247 VanDerWaalsContact O-N 3.09Å; K247-V249 PolarHBondContact O-N 3.27Å; K247-E330 WeakPolarHBondContact CE-OE1 3.23Å; K247-E330 WeakPolarHBondContact CE-OE2 3Å; K247-E330 IonicContact NZ-OE1 3.86Å; K247-E330 PolarHBondContact NZ-OE1 3.21Å; K247-E330 IonicContact NZ-OE2 2.93Å; K247-V786 HydrophobicContact CB-CG1 3.74Å; K247-V786 WeakPolarHBondContact O-CG1 3.39Å
248E80.7Confident82.3Confident64 Ų6468.6 Ų68.630%0.29935%0.348SS..  trans-79102.6173.1-67.6-179.5-159.100109F246 I250 I252 R258F246-E248 HydrophobicContact CD1-CG 3.79Å; F246-E248 HydrophobicContact CE1-CG 3.31Å; F246-E248 WeakPolarHBondContact CE1-OE1 3.44Å; F246-E248 HydrophobicContact CZ-CG 4Å; E248-I250 PolarHBondContact O-N 3.13Å; E248-I252 PolarHBondContact OE2-N 2.88Å; E248-R258 IonicContact OE1-CZ 3.49Å; E248-R258 IonicContact OE1-NE 2.68Å; E248-R258 IonicContact OE1-NH1 3.37Å; E248-R258 PolarHBondContact OE1-NH1 3.45Å
249V80.3Confident82.5Confident19 Ų1969.6 Ų69.612%0.11535%0.353CS..SBendtrans-63.4-39.5175.6-171.80000109.8K247 K327 E330 L331 F334K247-V249 PolarHBondContact O-N 3.27Å; V249-K327 WeakPolarHBondContact O-CE 3.47Å; V249-K327 PolarHBondContact O-NZ 3.1Å; V249-E330 HydrophobicContact CG1-CB 3.81Å; V249-E330 HydrophobicContact CG2-CB 4.1Å; V249-L331 HydrophobicContact CG1-CB 4.31Å; V249-L331 HydrophobicContact CG1-CD2 3.45Å; V249-L331 VanDerWaalsContact CG1-CD2 3.45Å; V249-L331 HydrophobicContact CG1-CG 3.67Å; V249-F334 HydrophobicContact CG2-CB 4.27Å
250I83.6Confident82.8Confident6 Ų668.9 Ų68.93%0.03135%0.35CS..SBendtrans-128137.8170.7-63.8172.2000107.6E248 I252 F310 L314 L331E248-I250 PolarHBondContact O-N 3.13Å; I250-I252 PolarHBondContact O-N 2.94Å; I250-I252 VanDerWaalsContact O-N 3.15Å; I250-F310 HydrophobicContact CB-CD2 4.06Å; I250-F310 HydrophobicContact CB-CE2 3.49Å; I250-F310 VanDerWaalsContact CB-CE2 3.49Å; I250-F310 HydrophobicContact CB-CZ 3.95Å; I250-F310 HydrophobicContact CD1-CE1 4.41Å; I250-F310 HydrophobicContact CD1-CE2 4.41Å; I250-F310 HydrophobicContact CD1-CZ 4.15Å; I250-F310 HydrophobicContact CG2-CD2 3.57Å; I250-F310 HydrophobicContact CG2-CE2 3.58Å; I250-F310 HydrophobicContact CG2-CG 4.37Å; I250-F310 HydrophobicContact CG2-CZ 4.34Å; I250-L314 HydrophobicContact CD1-CB 3.32Å; I250-L314 HydrophobicContact CD1-CD1 3.57Å; I250-L314 HydrophobicContact CD1-CG 3.98Å; I250-L331 HydrophobicContact CD1-CD2 3.79Å; I250-L331 HydrophobicContact CG1-CD2 3.76Å
251P83.8Confident83.1Confident96 Ų9668.8 Ų68.862%0.62335%0.349SS*.  trans-57119.5-179.9-25.434.6000112.1S253P251-S253 PolarHBondContact O-N 3.48Å
252I86.6Confident83.4Confident25 Ų2565.9 Ų65.913%0.12833%0.329CS..  trans-88111.9177.5-59.6178.2000108.1F246 E248 I250 L257 I261 F310F246-I252 HydrophobicContact CZ-CD1 4.27Å; E248-I252 PolarHBondContact OE2-N 2.88Å; I250-I252 PolarHBondContact O-N 2.94Å; I250-I252 VanDerWaalsContact O-N 3.15Å; I252-L257 HydrophobicContact CG2-CB 4.17Å; I252-L257 HydrophobicContact CG2-CD2 3.72Å; I252-L257 HydrophobicContact CG2-CG 3.95Å; I252-I261 HydrophobicContact CD1-CD1 3.53Å; I252-F310 HydrophobicContact CG1-CE2 4.17Å
253S83.9Confident84.2Confident95 Ų9560.6 Ų60.666%0.66431%0.306SS*.  trans-78.3-25.5-177.4-62.60000113P251 P255P251-S253 PolarHBondContact O-N 3.48Å; S253-P255 WeakPolarHBondContact O-CD 3.2Å
254D87.9Confident85.3Confident56 Ų5657.7 Ų57.730%0.29929%0.289SS..  trans-86.8115-177.4-174.8-0.9000111.8E256 L257 R258 M303D254-E256 VanDerWaalsContact C-N 3.28Å; D254-E256 PolarHBondContact O-N 3.26Å; D254-E256 WeakPolarHBondContact OD1-CB 3.46Å; D254-E256 PolarHBondContact OD1-N 2.83Å; D254-L257 HydrophobicContact CB-CB 4.03Å; D254-L257 PolarHBondContact O-N 2.94Å; D254-R258 PolarHBondContact O-N 3.26Å; D254-M303 WeakPolarHBondContact OD2-CE 3.28Å
255P88.3Confident86.1Confident101 Ų10158.6 Ų58.666%0.65629%0.29SS*.Hα-helixtrans-65.1-28.8177.828.1-35.6000113.3S253 R258 Q259S253-P255 WeakPolarHBondContact O-CD 3.2Å; P255-R258 PolarHBondContact O-N 3.32Å; P255-Q259 WeakPolarHBondContact O-CB 3.37Å; P255-Q259 PolarHBondContact O-N 3.41Å
256E90.8Very high87.1Confident115 Ų11552.3 Ų52.354%0.53727%0.266SS..Hα-helixtrans-70.1-44.4-179.9-176.5173.2-169.500110.8D254 R258 Q259 K260 M303D254-E256 VanDerWaalsContact C-N 3.28Å; D254-E256 PolarHBondContact O-N 3.26Å; D254-E256 WeakPolarHBondContact OD1-CB 3.46Å; D254-E256 PolarHBondContact OD1-N 2.83Å; E256-R258 VanDerWaalsContact C-N 3.33Å; E256-R258 PolarHBondContact O-N 2.95Å; E256-Q259 WeakPolarHBondContact O-CB 3.32Å; E256-Q259 PolarHBondContact O-N 2.93Å; E256-K260 WeakPolarHBondContact O-CG 3.25Å; E256-K260 PolarHBondContact O-N 2.92Å; E256-M303 HydrophobicContact CB-CE 3.94Å; E256-M303 HydrophobicContact CG-CE 3.9Å
257L90.4Very high87.7Confident3 Ų350.4 Ų50.42%0.01626%0.258CS..Hα-helixtrans-58.4-46.2173.3174.155.5000111.2I252 D254 Q259 K260 I261 I300 M303 L304I252-L257 HydrophobicContact CG2-CB 4.17Å; I252-L257 HydrophobicContact CG2-CD2 3.72Å; I252-L257 HydrophobicContact CG2-CG 3.95Å; D254-L257 HydrophobicContact CB-CB 4.03Å; D254-L257 PolarHBondContact O-N 2.94Å; L257-Q259 VanDerWaalsContact C-N 3.33Å; L257-Q259 PolarHBondContact O-N 3.5Å; L257-K260 PolarHBondContact O-N 3.16Å; L257-I261 HydrophobicContact CD1-CD1 3.91Å; L257-I261 HydrophobicContact CD1-CG1 4.12Å; L257-I261 HydrophobicContact CG-CD1 3.98Å; L257-I261 WeakPolarHBondContact O-CG1 3.31Å; L257-I261 PolarHBondContact O-N 3.26Å; L257-I300 HydrophobicContact CD1-CB 4.3Å; L257-I300 HydrophobicContact CD1-CG1 4.25Å; L257-I300 HydrophobicContact CD1-CG2 4.01Å; L257-M303 HydrophobicContact CB-CE 3.86Å; L257-M303 HydrophobicContact CB-SD 4.18Å; L257-M303 HydrophobicContact CD1-CB 4.04Å; L257-M303 HydrophobicContact CD1-SD 4.29Å; L257-M303 HydrophobicContact CD2-CB 4.44Å; L257-L304 HydrophobicContact CD1-CG 4.3Å; L257-L304 HydrophobicContact CD2-CD2 3.61Å; L257-L304 HydrophobicContact CD2-CG 3.89Å
258R89.4Confident88.3Confident109 Ų10947.4 Ų47.441%0.41125%0.246SC..Hα-helixtrans-60.2-43.5177.2-178.7173.6173.3168-1.1111.8F246 E248 D254 P255 E256 K260 I261 H262F246-R258 HydrophobicContact CE1-CG 4.01Å; F246-R258 HydrophobicContact CZ-CG 4.36Å; E248-R258 IonicContact OE1-CZ 3.49Å; E248-R258 IonicContact OE1-NE 2.68Å; E248-R258 IonicContact OE1-NH1 3.37Å; E248-R258 PolarHBondContact OE1-NH1 3.45Å; D254-R258 PolarHBondContact O-N 3.26Å; P255-R258 PolarHBondContact O-N 3.32Å; E256-R258 VanDerWaalsContact C-N 3.33Å; E256-R258 PolarHBondContact O-N 2.95Å; R258-K260 VanDerWaalsContact C-N 3.34Å; R258-K260 PolarHBondContact O-N 2.9Å; R258-I261 PolarHBondContact O-N 2.99Å; R258-H262 PolarHBondContact NE-NE2 2.73Å; R258-H262 PolarHBondContact O-CD2 3.22Å; R258-H262 PolarHBondContact O-N 3.26Å
259Q89.6Confident88.7Confident86 Ų8645.4 Ų45.440%0.40224%0.235SC..Hα-helixtrans-60.5-43.7176-174.5-176.45.600111.4D214 P255 E256 L257 H262 Q263D214-Q259 HydrophobicContact CB-CG 4.17Å; P255-Q259 WeakPolarHBondContact O-CB 3.37Å; P255-Q259 PolarHBondContact O-N 3.41Å; E256-Q259 WeakPolarHBondContact O-CB 3.32Å; E256-Q259 PolarHBondContact O-N 2.93Å; L257-Q259 VanDerWaalsContact C-N 3.33Å; L257-Q259 PolarHBondContact O-N 3.5Å; Q259-H262 PolarHBondContact O-N 2.99Å; Q259-Q263 WeakPolarHBondContact O-CB 3.37Å; Q259-Q263 PolarHBondContact O-N 3.39Å
260K91.3Very high89.1Confident41 Ų4144.5 Ų44.518%0.17823%0.23CC..Hα-helixtrans-64-40.8177.5-76.7-80.3174.81660112.8E256 L257 R258 Q263 T264 N296 E299 I300E256-K260 WeakPolarHBondContact O-CG 3.25Å; E256-K260 PolarHBondContact O-N 2.92Å; L257-K260 PolarHBondContact O-N 3.16Å; R258-K260 VanDerWaalsContact C-N 3.34Å; R258-K260 PolarHBondContact O-N 2.9Å; K260-Q263 PolarHBondContact O-N 2.67Å; K260-T264 WeakPolarHBondContact O-CB 3.33Å; K260-T264 PolarHBondContact O-N 3.24Å; K260-T264 PolarHBondContact O-OG1 2.92Å; K260-N296 PolarHBondContact NZ-OD1 3.21Å; K260-N296 VanDerWaalsContact NZ-OD1 3.13Å; K260-E299 WeakPolarHBondContact CE-OE2 3.31Å; K260-E299 IonicContact NZ-OE2 3.3Å; K260-E299 PolarHBondContact NZ-OE2 2.94Å; K260-I300 HydrophobicContact CB-CD1 4.48Å; K260-I300 HydrophobicContact CB-CG1 4Å
261I90.1Very high89.3Confident14 Ų1445.5 Ų45.57%0.07224%0.235CC..Hα-helixtrans-62-49174.9-66.3164.6000110.4F246 I252 L257 R258 Q263 T264 Y265 I300F246-I261 HydrophobicContact CE2-CG2 3.69Å; F246-I261 HydrophobicContact CZ-CG2 4.29Å; I252-I261 HydrophobicContact CD1-CD1 3.53Å; L257-I261 HydrophobicContact CD1-CD1 3.91Å; L257-I261 HydrophobicContact CD1-CG1 4.12Å; L257-I261 HydrophobicContact CG-CD1 3.98Å; L257-I261 WeakPolarHBondContact O-CG1 3.31Å; L257-I261 PolarHBondContact O-N 3.26Å; R258-I261 PolarHBondContact O-N 2.99Å; I261-Q263 PolarHBondContact O-N 2.85Å; I261-T264 PolarHBondContact O-N 3.44Å; I261-Y265 PolarHBondContact O-N 3.47Å; I261-I300 HydrophobicContact CG1-CD1 4Å; I261-I300 HydrophobicContact CG1-CG1 4.14Å; I261-I300 HydrophobicContact CG1-CG2 4.14Å
262H90Very high89.3Confident31 Ų3143.5 Ų43.514%0.14422%0.219CC..Hα-helixtrans-61.3-42.7176.7-72.4-55.9000112.6F246 R258 Q259 Y265 R266F246-H262 AromaticContact CD1-CE1 3.57Å; F246-H262 AromaticContact CD1-NE2 3.8Å; F246-H262 AromaticContact CD2-CE1 3.64Å; F246-H262 AromaticContact CG-CE1 3.31Å; F246-H262 WeakPolarHBondContact CG-CE1 3.45Å; R258-H262 PolarHBondContact NE-NE2 2.73Å; R258-H262 PolarHBondContact O-CD2 3.22Å; R258-H262 PolarHBondContact O-N 3.26Å; Q259-H262 PolarHBondContact O-N 2.99Å; H262-Y265 PolarHBondContact O-N 3.18Å; H262-R266 WeakPolarHBondContact O-CB 3.47Å; H262-R266 WeakPolarHBondContact O-CG 3.48Å; H262-R266 PolarHBondContact O-N 3.3Å
263Q92.3Very high89.2Confident25 Ų2545.9 Ų45.912%0.11723%0.23CC..Hα-helixtrans-60.3-47.6177.1-175.6-177.259.400110.5F212 Q259 K260 I261 Y265 R266 V267 F292 N296F212-Q263 HydrophobicContact CB-CG 4.39Å; F212-Q263 PolarHBondContact O-NE2 3.05Å; Q259-Q263 WeakPolarHBondContact O-CB 3.37Å; Q259-Q263 PolarHBondContact O-N 3.39Å; K260-Q263 PolarHBondContact O-N 2.67Å; I261-Q263 PolarHBondContact O-N 2.85Å; Q263-Y265 PolarHBondContact O-N 3.15Å; Q263-R266 PolarHBondContact O-N 3.43Å; Q263-V267 HydrophobicContact CG-CG2 4.32Å; Q263-V267 WeakPolarHBondContact O-CB 3.44Å; Q263-V267 WeakPolarHBondContact O-CG2 3.46Å; Q263-V267 PolarHBondContact O-N 2.94Å; Q263-F292 HydrophobicContact CG-CE1 4.33Å; Q263-N296 PolarHBondContact OE1-ND2 3.25Å
264T91.9Very high89.1Confident7 Ų742.1 Ų42.14%0.04320%0.203CC..Hα-helixtrans-60.5-47.1179.7-54.10000111.6K260 I261 V267 Q268 I293 N296 K297 I300K260-T264 WeakPolarHBondContact O-CB 3.33Å; K260-T264 PolarHBondContact O-N 3.24Å; K260-T264 PolarHBondContact O-OG1 2.92Å; I261-T264 PolarHBondContact O-N 3.44Å; T264-V267 PolarHBondContact O-N 2.96Å; T264-Q268 WeakPolarHBondContact O-CB 3.45Å; T264-Q268 PolarHBondContact O-N 3.44Å; T264-I293 HydrophobicContact CG2-CG2 4.28Å; T264-N296 WeakPolarHBondContact OG1-CB 3.49Å; T264-N296 PolarHBondContact OG1-ND2 3.3Å; T264-K297 HydrophobicContact CG2-CG 4.18Å; T264-I300 HydrophobicContact CG2-CD1 4.46Å; T264-I300 WeakPolarHBondContact OG1-CD1 3.47Å
265Y90.1Very high88.8Confident28 Ų2840.5 Ų40.511%0.1119%0.194CC..Hα-helixtrans-61.3-47.6177.4174.9-105.1000112.3L240 A244 I261 H262 Q263 V267 Q268 Y269 L782 Y788L240-Y265 HydrophobicContact CD2-CD1 4.28Å; L240-Y265 HydrophobicContact CD2-CE1 3.52Å; A244-Y265 HydrophobicContact CB-CE1 4.33Å; I261-Y265 PolarHBondContact O-N 3.47Å; H262-Y265 PolarHBondContact O-N 3.18Å; Q263-Y265 PolarHBondContact O-N 3.15Å; Y265-V267 PolarHBondContact O-N 2.66Å; Y265-Q268 PolarHBondContact O-N 3.13Å; Y265-Y269 WeakPolarHBondContact O-CB 3.19Å; Y265-Y269 PolarHBondContact O-N 2.9Å; Y265-L782 HydrophobicContact CE2-CD2 3.82Å; Y265-Y788 HydrophobicContact CD1-CE2 4.04Å; Y265-Y788 AromaticContact CD1-CZ 3.95Å; Y265-Y788 WeakPolarHBondContact CD1-OH 3.45Å; Y265-Y788 HydrophobicContact CD2-CD2 4.44Å; Y265-Y788 AromaticContact CD2-CE2 3.61Å; Y265-Y788 HydrophobicContact CD2-CE2 3.61Å; Y265-Y788 HydrophobicContact CE1-CD2 4.37Å; Y265-Y788 HydrophobicContact CE1-CE1 4.42Å; Y265-Y788 AromaticContact CE1-CE2 3.57Å; Y265-Y788 HydrophobicContact CE1-CE2 3.57Å; Y265-Y788 AromaticContact CE1-CZ 3.54Å; Y265-Y788 WeakPolarHBondContact CE1-OH 3.22Å; Y265-Y788 AromaticContact CE2-CD2 3.57Å; Y265-Y788 HydrophobicContact CE2-CD2 3.57Å; Y265-Y788 AromaticContact CE2-CE2 3.1Å; Y265-Y788 HydrophobicContact CE2-CE2 3.1Å; Y265-Y788 AromaticContact CE2-CZ 3.97Å; Y265-Y788 HydrophobicContact CG-CE2 4.05Å; Y265-Y788 AromaticContact CZ-CD2 3.52Å; Y265-Y788 AromaticContact CZ-CE2 3.07Å; Y265-Y788 AromaticContact CZ-CZ 3.55Å; Y265-Y788 WeakPolarHBondContact OH-CD2 3.46Å; Y265-Y788 WeakPolarHBondContact OH-CE2 3.49Å
266R91.8Very high88.1Confident43 Ų4339.3 Ų39.316%0.16219%0.187CC..Hα-helixtrans-64-40.2-180-71.3169.7-178.51641112D214 I217 I221 H262 Q263 Y269 I270D214-R266 IonicContact OD1-NH1 3.72Å; D214-R266 PolarHBondContact OD1-NH1 3.38Å; I217-R266 HydrophobicContact CD1-CB 3.45Å; I217-R266 VanDerWaalsContact CD1-CB 3.45Å; I217-R266 HydrophobicContact CD1-CG 4.34Å; I217-R266 HydrophobicContact CG1-CB 4.22Å; I221-R266 HydrophobicContact CD1-CB 4.43Å; H262-R266 WeakPolarHBondContact O-CB 3.47Å; H262-R266 WeakPolarHBondContact O-CG 3.48Å; H262-R266 PolarHBondContact O-N 3.3Å; Q263-R266 PolarHBondContact O-N 3.43Å; R266-Y269 WeakPolarHBondContact O-CB 3.36Å; R266-Y269 PolarHBondContact O-N 3.48Å; R266-I270 WeakPolarHBondContact O-CG1 3.48Å; R266-I270 PolarHBondContact O-N 2.86Å
267V91.6Very high86.9Confident0 Ų036 Ų360%017%0.174CC..Hα-helixtrans-67.4-41.5177.41760000111F212 I217 Q263 T264 Y265 Y269 I270 Q271 L289 F292 I293F212-V267 HydrophobicContact CB-CG2 3.81Å; F212-V267 HydrophobicContact CD1-CG2 3.86Å; F212-V267 HydrophobicContact CD2-CG1 4.24Å; F212-V267 HydrophobicContact CD2-CG2 3.68Å; F212-V267 HydrophobicContact CE1-CG2 4.36Å; F212-V267 HydrophobicContact CE2-CG1 4.01Å; F212-V267 HydrophobicContact CE2-CG2 4.19Å; F212-V267 HydrophobicContact CG-CG2 3.5Å; F212-V267 HydrophobicContact CZ-CG1 4.32Å; I217-V267 HydrophobicContact CD1-CG2 4.05Å; Q263-V267 HydrophobicContact CG-CG2 4.32Å; Q263-V267 WeakPolarHBondContact O-CB 3.44Å; Q263-V267 WeakPolarHBondContact O-CG2 3.46Å; Q263-V267 PolarHBondContact O-N 2.94Å; T264-V267 PolarHBondContact O-N 2.96Å; Y265-V267 PolarHBondContact O-N 2.66Å; V267-Y269 VanDerWaalsContact C-N 3.33Å; V267-I270 PolarHBondContact O-N 2.79Å; V267-Q271 PolarHBondContact O-N 3.45Å; V267-L289 HydrophobicContact CG1-CD1 3.6Å; V267-L289 HydrophobicContact CG1-CG 4.43Å; V267-F292 HydrophobicContact CG1-CD1 4.35Å; V267-F292 HydrophobicContact CG2-CE1 4.19Å; V267-I293 HydrophobicContact CB-CG1 4.48Å; V267-I293 HydrophobicContact CG1-CD1 4.05Å; V267-I293 HydrophobicContact CG1-CG1 3.76Å
268Q89.5Confident85.2Confident32 Ų3241.4 Ų41.415%0.1521%0.209CC..Hα-helixtrans-65.2-37.8174.7-167.7167.8-18.400111.4T264 Y265 I270 Q271 D272 I293 V783T264-Q268 WeakPolarHBondContact O-CB 3.45Å; T264-Q268 PolarHBondContact O-N 3.44Å; Y265-Q268 PolarHBondContact O-N 3.13Å; Q268-I270 PolarHBondContact O-N 3.34Å; Q268-Q271 WeakPolarHBondContact O-CB 3.14Å; Q268-Q271 PolarHBondContact O-N 2.98Å; Q268-D272 WeakPolarHBondContact CG-OD2 3.11Å; Q268-D272 WeakPolarHBondContact O-CB 3.21Å; Q268-D272 PolarHBondContact O-N 3.05Å; Q268-I293 HydrophobicContact CB-CD1 4.47Å; Q268-V783 PolarHBondContact NE2-O 3.1Å
269Y89.9Confident83.6Confident22 Ų2238.2 Ų38.29%0.08620%0.204CC..Hα-helixtrans-61.9-41.9171.8-176.7-88.7000112.5H236 F239 L240 Y265 R266 V267 Q271 D272 M273 V274H236-Y269 HydrophobicContact CB-CE1 4.09Å; H236-Y269 AromaticContact ND1-CE1 3.54Å; H236-Y269 AromaticContact ND1-CZ 3.66Å; H236-Y269 PolarHBondContact ND1-OH 3.49Å; F239-Y269 AromaticContact CD1-CE2 3.66Å; F239-Y269 HydrophobicContact CD1-CE2 3.66Å; F239-Y269 AromaticContact CD1-CZ 3.87Å; F239-Y269 HydrophobicContact CE1-CD2 4.26Å; F239-Y269 AromaticContact CE1-CE2 3.57Å; F239-Y269 HydrophobicContact CE1-CE2 3.57Å; L240-Y269 HydrophobicContact CD1-CD1 3.99Å; L240-Y269 HydrophobicContact CD1-CE1 4.22Å; L240-Y269 HydrophobicContact CD2-CD1 4.22Å; L240-Y269 HydrophobicContact CD2-CD2 4.16Å; L240-Y269 HydrophobicContact CD2-CE2 4.49Å; L240-Y269 HydrophobicContact CD2-CG 4.01Å; L240-Y269 HydrophobicContact CG-CD1 4.36Å; L240-Y269 HydrophobicContact CG-CE1 4.38Å; Y265-Y269 WeakPolarHBondContact O-CB 3.19Å; Y265-Y269 PolarHBondContact O-N 2.9Å; R266-Y269 WeakPolarHBondContact O-CB 3.36Å; R266-Y269 PolarHBondContact O-N 3.48Å; V267-Y269 VanDerWaalsContact C-N 3.33Å; Y269-Q271 VanDerWaalsContact C-N 3.29Å; Y269-Q271 PolarHBondContact O-N 3.39Å; Y269-D272 PolarHBondContact O-N 2.9Å; Y269-M273 HydrophobicContact CD1-CB 4.4Å; Y269-M273 HydrophobicContact CD2-CB 4.15Å; Y269-M273 HydrophobicContact CD2-CG 3.91Å; Y269-M273 HydrophobicContact CE1-CB 4.14Å; Y269-M273 HydrophobicContact CE2-CB 3.87Å; Y269-M273 HydrophobicContact CE2-CG 3.76Å; Y269-M273 HydrophobicContact CG-CB 4.41Å; Y269-M273 WeakPolarHBondContact O-CB 3.42Å; Y269-M273 PolarHBondContact O-N 3.03Å; Y269-V274 HydrophobicContact CD1-CG2 3.85Å; Y269-V274 HydrophobicContact CE1-CG2 3.7Å; Y269-V274 PolarHBondContact O-N 3.35Å
270I88.5Confident81.8Confident0 Ų039.2 Ų39.20%022%0.215CC..Iπ-helixtrans-59.4-45.2174.2-68.4165.1000110.1F200 F212 I221 L224 R266 V267 Q268 V274 L275F200-I270 HydrophobicContact CE2-CG2 3.77Å; F200-I270 HydrophobicContact CZ-CG2 4.05Å; F212-I270 HydrophobicContact CD1-CD1 4.34Å; F212-I270 HydrophobicContact CE1-CD1 4.02Å; I221-I270 HydrophobicContact CD1-CD1 4.13Å; I221-I270 HydrophobicContact CD1-CG1 4.21Å; I221-I270 HydrophobicContact CG1-CD1 3.73Å; I221-I270 HydrophobicContact CG1-CG1 3.82Å; L224-I270 HydrophobicContact CD1-CG2 4.29Å; R266-I270 WeakPolarHBondContact O-CG1 3.48Å; R266-I270 PolarHBondContact O-N 2.86Å; V267-I270 PolarHBondContact O-N 2.79Å; Q268-I270 PolarHBondContact O-N 3.34Å; I270-V274 HydrophobicContact CG2-CB 4.45Å; I270-V274 WeakPolarHBondContact O-CB 3.41Å; I270-V274 PolarHBondContact O-N 2.98Å; I270-L275 PolarHBondContact O-N 2.82Å
271Q87.3Confident79.5Confident27 Ų2746.6 Ų46.613%0.12625%0.248CC..Iπ-helixtrans-61.5-48.1178.5179.9179.7-400112.3V267 Q268 Y269 L275 P276 L289 H290V267-Q271 PolarHBondContact O-N 3.45Å; Q268-Q271 WeakPolarHBondContact O-CB 3.14Å; Q268-Q271 PolarHBondContact O-N 2.98Å; Y269-Q271 VanDerWaalsContact C-N 3.29Å; Y269-Q271 PolarHBondContact O-N 3.39Å; Q271-L275 CarbonylContact O-C 3.57Å; Q271-P276 VanDerWaalsContact O-CA 3.29Å; Q271-P276 WeakPolarHBondContact O-CA 3.48Å; Q271-L289 HydrophobicContact CB-CD2 4.01Å; Q271-L289 HydrophobicContact CG-CD2 4.14Å; Q271-H290 PolarHBondContact NE2-CD2 2.91Å; Q271-H290 PolarHBondContact NE2-NE2 3.46Å
272D85.1Confident77.9Confident54 Ų5449.5 Ų49.529%0.28926%0.261SS..Iπ-helixtrans-88-34.5-167.4-64.4-22.8000112.6Q268 Y269Q268-D272 WeakPolarHBondContact CG-OD2 3.11Å; Q268-D272 WeakPolarHBondContact O-CB 3.21Å; Q268-D272 PolarHBondContact O-N 3.05Å; Y269-D272 PolarHBondContact O-N 2.9Å
273M83.9Confident76Confident75 Ų7553.2 Ų53.237%0.36928%0.278SS..Iπ-helixtrans-113.7-32.2-169.3-62.9-64.6128.800114.3R234 Y269 L782R234-M273 PolarHBondContact NH1-O 2.82Å; Y269-M273 HydrophobicContact CD1-CB 4.4Å; Y269-M273 HydrophobicContact CD2-CB 4.15Å; Y269-M273 HydrophobicContact CD2-CG 3.91Å; Y269-M273 HydrophobicContact CE1-CB 4.14Å; Y269-M273 HydrophobicContact CE2-CB 3.87Å; Y269-M273 HydrophobicContact CE2-CG 3.76Å; Y269-M273 HydrophobicContact CG-CB 4.41Å; Y269-M273 WeakPolarHBondContact O-CB 3.42Å; Y269-M273 PolarHBondContact O-N 3.03Å; M273-L782 HydrophobicContact CE-CD1 4.36Å
274V82.3Confident74.3Confident15 Ų1558.7 Ų58.79%0.09131%0.309CS..Iπ-helixtrans-92.7-50.5-175.1-172.50000110.8L224 Y269 I270 P276L224-V274 HydrophobicContact CB-CG1 3.58Å; L224-V274 HydrophobicContact CD1-CG1 3.9Å; L224-V274 HydrophobicContact CG-CG1 4.31Å; Y269-V274 HydrophobicContact CD1-CG2 3.85Å; Y269-V274 HydrophobicContact CE1-CG2 3.7Å; Y269-V274 PolarHBondContact O-N 3.35Å; I270-V274 HydrophobicContact CG2-CB 4.45Å; I270-V274 WeakPolarHBondContact O-CB 3.41Å; I270-V274 PolarHBondContact O-N 2.98Å; V274-P276 VanDerWaalsContact C-CD 3.42Å; V274-P276 WeakPolarHBondContact O-CD 3.44Å
275L80.9Confident73Confident23 Ų2363.3 Ų63.312%0.1233%0.331CS..SBendtrans-126.862.3-179.8-64.9174.4000110.8K197 F200 L224 I270 Q271 T277K197-L275 HydrophobicContact CD-CD2 4.29Å; K197-L275 HydrophobicContact CG-CD2 4.2Å; F200-L275 HydrophobicContact CD1-CD1 3.75Å; F200-L275 HydrophobicContact CE1-CD1 3.88Å; F200-L275 HydrophobicContact CG-CD1 4.08Å; F200-L275 HydrophobicContact CZ-CD1 4.29Å; L224-L275 HydrophobicContact CD1-CD1 4.16Å; L224-L275 HydrophobicContact CD2-CD1 4.24Å; I270-L275 PolarHBondContact O-N 2.82Å; Q271-L275 CarbonylContact O-C 3.57Å; L275-T277 PolarHBondContact O-N 2.54Å
276P74Confident72.5Confident76 Ų7662.5 Ų62.549%0.49433%0.328SS..  trans-60.6132.2179.125.6-33.3000110.7Q271 V274 P278Q271-P276 VanDerWaalsContact O-CA 3.29Å; Q271-P276 WeakPolarHBondContact O-CA 3.48Å; V274-P276 VanDerWaalsContact C-CD 3.42Å; V274-P276 WeakPolarHBondContact O-CD 3.44Å; P276-P278 WeakPolarHBondContact O-CD 3.31Å
277T65.6Low72.2Confident46 Ų4662.9 Ų62.928%0.28234%0.338SS..  trans-60.8118.2175.8-40.40000108.9L275 S279 E282L275-T277 PolarHBondContact O-N 2.54Å; T277-S279 PolarHBondContact O-N 2.85Å; T277-S279 VanDerWaalsContact O-N 3.12Å; T277-E282 HydrophobicContact CG2-CB 4.06Å
278P54.8Low72.1Confident115 Ų11564.2 Ų64.275%0.74735%0.346SS*.SBendtrans-72.2-8.7-168.824.9-30.9000114P276 E282P276-P278 WeakPolarHBondContact O-CD 3.31Å; P278-E282 WeakPolarHBondContact CG-OE2 3.25Å
279S56.1Low72Confident42 Ų4262.7 Ų62.729%0.29434%0.339SS..  trans-153.6140.9178.6179.40000113T277 F281 E282T277-S279 PolarHBondContact O-N 2.85Å; T277-S279 VanDerWaalsContact O-N 3.12Å; S279-F281 PolarHBondContact O-N 3.2Å; S279-F281 VanDerWaalsContact O-N 3.16Å; S279-F281 PolarHBondContact OG-N 2.89Å; S279-E282 PolarHBondContact O-N 3.42Å
280V50.4Low71.9Confident107 Ų10764.9 Ų64.965%0.64835%0.35SS*.G310 helixtrans-59.6-23172.9-168.60000111.8E282 E283V280-E282 VanDerWaalsContact C-N 3.28Å; V280-E282 PolarHBondContact O-N 2.86Å; V280-E283 WeakPolarHBondContact O-CG 3.43Å
281F44.2Very low72Confident197 Ų19767.3 Ų67.386%0.86437%0.367SS*.G310 helixtrans-80.5-6.9177.6-61.7-79000113.6S279S279-F281 PolarHBondContact O-N 3.2Å; S279-F281 VanDerWaalsContact O-N 3.16Å; S279-F281 PolarHBondContact OG-N 2.89Å
282E55.1Low72.2Confident75 Ų7567 Ų6735%0.3537%0.365SS..G310 helixtrans-105.67.4179.8-70.6-179.117700113.4T277 P278 S279 V280 N284 M285T277-E282 HydrophobicContact CG2-CB 4.06Å; P278-E282 WeakPolarHBondContact CG-OE2 3.25Å; S279-E282 PolarHBondContact O-N 3.42Å; V280-E282 VanDerWaalsContact C-N 3.28Å; V280-E282 PolarHBondContact O-N 2.86Å; E282-N284 PolarHBondContact O-N 3.49Å; E282-M285 HydrophobicContact CB-CE 3.78Å; E282-M285 HydrophobicContact CB-CG 4.44Å; E282-M285 HydrophobicContact CG-CE 3.87Å; E282-M285 WeakPolarHBondContact O-CB 3.46Å; E282-M285 PolarHBondContact O-N 2.6Å; E282-M285 WeakPolarHBondContact OE2-CE 3.39Å
283E50.8Low72.4Confident108 Ų10865 Ų6551%0.50535%0.354SS..G310 helixtrans-51.5-26.7-179-81.8-179.717400114.3V280 M285V280-E283 WeakPolarHBondContact O-CG 3.43Å; E283-M285 VanDerWaalsContact C-N 3.32Å; E283-M285 PolarHBondContact O-N 3.42Å
284N56.5Low72.7Confident141 Ų14165.6 Ų65.675%0.75436%0.355SS*.G310 helixtrans-76-15.3178.8-69.4-28.6000114E282 L286 S287E282-N284 PolarHBondContact O-N 3.49Å; N284-L286 VanDerWaalsContact C-N 3.34Å; N284-L286 PolarHBondContact O-N 2.7Å; N284-S287 PolarHBondContact O-OG 3.43Å
285M65.4Low73.1Confident104 Ų10470.8 Ų70.851%0.51238%0.376SS..G310 helixtrans-68-30.4-178.5-72.7-148.3-70.700113.3N203 E282 E283N203-M285 VanDerWaalsContact CG-O 3.26Å; N203-M285 PolarHBondContact ND2-O 3.24Å; N203-M285 VanDerWaalsContact ND2-O 3.09Å; E282-M285 HydrophobicContact CB-CE 3.78Å; E282-M285 HydrophobicContact CB-CG 4.44Å; E282-M285 HydrophobicContact CG-CE 3.87Å; E282-M285 WeakPolarHBondContact O-CB 3.46Å; E282-M285 PolarHBondContact O-N 2.6Å; E282-M285 WeakPolarHBondContact OE2-CE 3.39Å; E283-M285 VanDerWaalsContact C-N 3.32Å; E283-M285 PolarHBondContact O-N 3.42Å
286L79.3Confident73.6Confident10 Ų1069.9 Ų69.95%0.05237%0.372CS..G310 helixtrans-114.231.1-179.9-65.1176.7000112.5F200 N203 N284 T288 L289 H290F200-L286 HydrophobicContact CD1-CD2 4.2Å; F200-L286 HydrophobicContact CE1-CD1 3.95Å; F200-L286 HydrophobicContact CE1-CD2 3.73Å; N203-L286 WeakPolarHBondContact OD1-CA 3.21Å; N284-L286 VanDerWaalsContact C-N 3.34Å; N284-L286 PolarHBondContact O-N 2.7Å; L286-T288 PolarHBondContact O-N 2.8Å; L286-T288 VanDerWaalsContact O-N 3.14Å; L286-L289 HydrophobicContact CB-CB 4.12Å; L286-L289 HydrophobicContact CB-CD2 4.38Å; L286-L289 HydrophobicContact CD1-CD2 4.17Å; L286-L289 WeakPolarHBondContact O-CB 3.48Å; L286-L289 PolarHBondContact O-N 3.48Å; L286-H290 PolarHBondContact O-N 3.41Å
287S84.9Confident74.4Confident51 Ų5167.9 Ų67.936%0.35736%0.355SS..Hα-helixtrans-55.9-30.1179.547.90000114N203 N284 S291N203-S287 PolarHBondContact ND2-OG 2.92Å; N284-S287 PolarHBondContact O-OG 3.43Å; S287-S291 WeakPolarHBondContact O-CB 3.46Å; S287-S291 PolarHBondContact O-N 3.15Å; S287-S291 PolarHBondContact O-OG 2.81Å
288T88.9Confident75.7Confident29 Ų2967.5 Ų67.518%0.17835%0.353CS..Hα-helixtrans-77.1-32.8177.7-52.60000111.2N203 T205 F208 L286 S291 F292N203-T288 PolarHBondContact ND2-N 3.4Å; N203-T288 PolarHBondContact ND2-OG1 3.1Å; N203-T288 PolarHBondContact O-OG1 3.2Å; N203-T288 VanDerWaalsContact O-OG1 3.12Å; N203-T288 WeakPolarHBondContact OD1-CA 3.33Å; N203-T288 WeakPolarHBondContact OD1-CB 3.48Å; N203-T288 PolarHBondContact OD1-N 3.18Å; N203-T288 VanDerWaalsContact OD1-N 3.11Å; T205-T288 WeakPolarHBondContact OG1-CG2 2.78Å; F208-T288 HydrophobicContact CD2-CG2 4.05Å; F208-T288 HydrophobicContact CE2-CG2 4.09Å; L286-T288 PolarHBondContact O-N 2.8Å; L286-T288 VanDerWaalsContact O-N 3.14Å; T288-S291 PolarHBondContact O-N 3Å; T288-F292 WeakPolarHBondContact O-CB 3.48Å; T288-F292 PolarHBondContact O-N 3.12Å
289L88.6Confident77.4Confident0 Ų066.2 Ų66.20%034%0.337CS..Hα-helixtrans-65.4-46.3172.3-17472.4000110.9F200 N203 F208 F212 V267 Q271 L286 S291 F292 I293F200-L289 HydrophobicContact CE1-CD2 4.33Å; F200-L289 HydrophobicContact CE2-CD1 4.14Å; F200-L289 HydrophobicContact CE2-CD2 4.41Å; F200-L289 HydrophobicContact CZ-CD1 4.12Å; F200-L289 HydrophobicContact CZ-CD2 3.59Å; F200-L289 HydrophobicContact CZ-CG 4.46Å; N203-L289 PolarHBondContact OD1-N 3.34Å; F208-L289 HydrophobicContact CE2-CB 3.93Å; F208-L289 HydrophobicContact CE2-CD1 4.3Å; F208-L289 HydrophobicContact CZ-CB 4.17Å; F208-L289 HydrophobicContact CZ-CD1 4.26Å; F212-L289 HydrophobicContact CE2-CD1 3.58Å; F212-L289 HydrophobicContact CZ-CD1 3.68Å; V267-L289 HydrophobicContact CG1-CD1 3.6Å; V267-L289 HydrophobicContact CG1-CG 4.43Å; Q271-L289 HydrophobicContact CB-CD2 4.01Å; Q271-L289 HydrophobicContact CG-CD2 4.14Å; L286-L289 HydrophobicContact CB-CB 4.12Å; L286-L289 HydrophobicContact CB-CD2 4.38Å; L286-L289 HydrophobicContact CD1-CD2 4.17Å; L286-L289 WeakPolarHBondContact O-CB 3.48Å; L286-L289 PolarHBondContact O-N 3.48Å; L289-S291 VanDerWaalsContact C-N 3.27Å; L289-S291 PolarHBondContact O-N 3.33Å; L289-F292 WeakPolarHBondContact O-CB 3.03Å; L289-F292 PolarHBondContact O-N 3.01Å; L289-F292 VanDerWaalsContact O-N 3.1Å; L289-I293 HydrophobicContact CG-CD1 4.48Å; L289-I293 PolarHBondContact O-N 3.45Å
290H87.8Confident79.1Confident67 Ų6764.3 Ų64.331%0.3132%0.323SS..Hα-helixtrans-57.6-43.1173.8-66.7164.1000111.4Q271 L286 F292 I293 F294Q271-H290 PolarHBondContact NE2-CD2 2.91Å; Q271-H290 PolarHBondContact NE2-NE2 3.46Å; L286-H290 PolarHBondContact O-N 3.41Å; H290-F292 VanDerWaalsContact C-N 3.34Å; H290-F292 PolarHBondContact O-N 3.11Å; H290-I293 PolarHBondContact O-N 3.4Å; H290-F294 VanDerWaalsContact O-CB 3.23Å; H290-F294 WeakPolarHBondContact O-CB 3.33Å; H290-F294 PolarHBondContact O-N 2.99Å
291S90.6Very high81Confident52 Ų5259.2 Ų59.236%0.36429%0.292SS..Hα-helixtrans-63.3-40176-59.10000111.8S287 T288 L289 F294 F295S287-S291 WeakPolarHBondContact O-CB 3.46Å; S287-S291 PolarHBondContact O-N 3.15Å; S287-S291 PolarHBondContact O-OG 2.81Å; T288-S291 PolarHBondContact O-N 3Å; L289-S291 VanDerWaalsContact C-N 3.27Å; L289-S291 PolarHBondContact O-N 3.33Å; S291-F294 WeakPolarHBondContact O-CB 3.33Å; S291-F294 PolarHBondContact O-N 3.33Å; S291-F295 WeakPolarHBondContact O-CD2 3.39Å; S291-F295 PolarHBondContact O-N 3.29Å
292F91.2Very high83.3Confident21 Ų2150.9 Ų50.99%0.09226%0.263CS..Hα-helixtrans-61.8-49177.1-173.7-84.7000111.7F208 E209 F212 Q263 V267 T288 L289 H290 F294 F295 N296F208-F292 HydrophobicContact CB-CD2 4.21Å; F208-F292 HydrophobicContact CB-CE2 4.47Å; E209-F292 HydrophobicContact CG-CE2 4.34Å; F212-F292 HydrophobicContact CB-CE1 4.34Å; F212-F292 HydrophobicContact CB-CZ 4.2Å; F212-F292 HydrophobicContact CD2-CD1 4.09Å; F212-F292 AromaticContact CD2-CE1 3.84Å; F212-F292 HydrophobicContact CD2-CE1 3.84Å; F212-F292 HydrophobicContact CD2-CE2 4.43Å; F212-F292 HydrophobicContact CD2-CZ 4.02Å; Q263-F292 HydrophobicContact CG-CE1 4.33Å; V267-F292 HydrophobicContact CG1-CD1 4.35Å; V267-F292 HydrophobicContact CG2-CE1 4.19Å; T288-F292 WeakPolarHBondContact O-CB 3.48Å; T288-F292 PolarHBondContact O-N 3.12Å; L289-F292 WeakPolarHBondContact O-CB 3.03Å; L289-F292 PolarHBondContact O-N 3.01Å; L289-F292 VanDerWaalsContact O-N 3.1Å; H290-F292 VanDerWaalsContact C-N 3.34Å; H290-F292 PolarHBondContact O-N 3.11Å; F292-F294 VanDerWaalsContact C-N 3.3Å; F292-F294 PolarHBondContact O-N 3.11Å; F292-F295 PolarHBondContact O-N 3.36Å; F292-N296 PolarHBondContact O-N 2.92Å
293I90Very high85Confident11 Ų1149.4 Ų49.46%0.05626%0.256CS..Hα-helixtrans-60.3-43.5175.2-65.1169.4000110.1T264 V267 Q268 L289 H290 N296 K297T264-I293 HydrophobicContact CG2-CG2 4.28Å; V267-I293 HydrophobicContact CB-CG1 4.48Å; V267-I293 HydrophobicContact CG1-CD1 4.05Å; V267-I293 HydrophobicContact CG1-CG1 3.76Å; Q268-I293 HydrophobicContact CB-CD1 4.47Å; L289-I293 HydrophobicContact CG-CD1 4.48Å; L289-I293 PolarHBondContact O-N 3.45Å; H290-I293 PolarHBondContact O-N 3.4Å; I293-N296 PolarHBondContact O-N 3.46Å; I293-K297 HydrophobicContact CG2-CD 4.25Å; I293-K297 HydrophobicContact CG2-CG 4.47Å; I293-K297 WeakPolarHBondContact O-CG 3.45Å; I293-K297 PolarHBondContact O-N 3.17Å
294F90.2Very high87Confident88 Ų8844.3 Ų44.339%0.38623%0.232SC..Hα-helixtrans-58.4-50.3178.4177.2-86.4000112.3H290 S291 F292 N296 K297 V298 T344H290-F294 VanDerWaalsContact O-CB 3.23Å; H290-F294 WeakPolarHBondContact O-CB 3.33Å; H290-F294 PolarHBondContact O-N 2.99Å; S291-F294 WeakPolarHBondContact O-CB 3.33Å; S291-F294 PolarHBondContact O-N 3.33Å; F292-F294 VanDerWaalsContact C-N 3.3Å; F292-F294 PolarHBondContact O-N 3.11Å; F294-N296 PolarHBondContact O-N 3.47Å; F294-K297 PolarHBondContact O-N 3.49Å; F294-V298 HydrophobicContact CD1-CG2 4.34Å; F294-V298 HydrophobicContact CE1-CG2 4.03Å; F294-V298 HydrophobicContact CZ-CG2 4.39Å; F294-V298 WeakPolarHBondContact O-CG2 3.19Å; F294-V298 PolarHBondContact O-N 2.93Å; F294-T344 HydrophobicContact CD2-CG2 3.88Å; F294-T344 VanDerWaalsContact CE2-CB 3.5Å; F294-T344 HydrophobicContact CE2-CG2 4Å; F294-T344 WeakPolarHBondContact CE2-O 3.25Å; F294-T344 WeakPolarHBondContact CZ-O 3.28Å
295F91Very high88.6Confident123 Ų12339 Ų3954%0.53920%0.203SC..Hα-helixtrans-64.6-40179.1-73.5-61.6000112.2S291 F292 K297 V298 E299S291-F295 WeakPolarHBondContact O-CD2 3.39Å; S291-F295 PolarHBondContact O-N 3.29Å; F292-F295 PolarHBondContact O-N 3.36Å; F295-K297 VanDerWaalsContact C-N 3.35Å; F295-K297 PolarHBondContact O-N 3.24Å; F295-V298 WeakPolarHBondContact O-CB 3.42Å; F295-V298 PolarHBondContact O-N 2.84Å; F295-E299 WeakPolarHBondContact O-CG 3.36Å; F295-E299 PolarHBondContact O-N 3.38Å
296N91.3Very high89.8Confident4 Ų440.5 Ų40.52%0.02121%0.213CC..Hα-helixtrans-60.6-41.9173.9-90.18000112.4K260 Q263 T264 F292 I293 F294 V298 E299 I300K260-N296 PolarHBondContact NZ-OD1 3.21Å; K260-N296 VanDerWaalsContact NZ-OD1 3.13Å; Q263-N296 PolarHBondContact OE1-ND2 3.25Å; T264-N296 WeakPolarHBondContact OG1-CB 3.49Å; T264-N296 PolarHBondContact OG1-ND2 3.3Å; F292-N296 PolarHBondContact O-N 2.92Å; I293-N296 PolarHBondContact O-N 3.46Å; F294-N296 PolarHBondContact O-N 3.47Å; N296-V298 VanDerWaalsContact C-N 3.34Å; N296-V298 PolarHBondContact O-N 3.29Å; N296-E299 PolarHBondContact O-N 3.06Å; N296-I300 VanDerWaalsContact O-CG1 3.26Å; N296-I300 WeakPolarHBondContact O-CG1 3.32Å; N296-I300 PolarHBondContact O-N 3.06Å
297K90.8Very high90.3Very high35 Ų3542.1 Ų42.115%0.15222%0.222CC..Hα-helixtrans-61.2-41.9175.1-71.7-177178.2-178.70111.7T264 I293 F294 F295 I300 V301 F341 T344T264-K297 HydrophobicContact CG2-CG 4.18Å; I293-K297 HydrophobicContact CG2-CD 4.25Å; I293-K297 HydrophobicContact CG2-CG 4.47Å; I293-K297 WeakPolarHBondContact O-CG 3.45Å; I293-K297 PolarHBondContact O-N 3.17Å; F294-K297 PolarHBondContact O-N 3.49Å; F295-K297 VanDerWaalsContact C-N 3.35Å; F295-K297 PolarHBondContact O-N 3.24Å; K297-I300 PolarHBondContact O-N 2.98Å; K297-V301 WeakPolarHBondContact O-CG2 3.39Å; K297-V301 PolarHBondContact O-N 2.94Å; K297-F341 HydrophobicContact CB-CD2 3.91Å; K297-F341 HydrophobicContact CB-CE2 4.05Å; K297-F341 HydrophobicContact CD-CD1 4.32Å; K297-F341 HydrophobicContact CD-CD2 4.23Å; K297-F341 HydrophobicContact CD-CE1 4.01Å; K297-F341 HydrophobicContact CD-CE2 3.89Å; K297-F341 HydrophobicContact CD-CG 4.44Å; K297-F341 HydrophobicContact CD-CZ 3.79Å; K297-F341 HydrophobicContact CG-CD2 3.93Å; K297-F341 HydrophobicContact CG-CE2 3.56Å; K297-F341 HydrophobicContact CG-CZ 3.95Å; K297-T344 HydrophobicContact CD-CG2 4.46Å
298V91.3Very high90.5Very high38 Ų3846.1 Ų46.123%0.2324%0.235CC..Hα-helixtrans-61.5-43.9175.8172.80000111.6F294 F295 N296 V301 G302 T344 L345F294-V298 HydrophobicContact CD1-CG2 4.34Å; F294-V298 HydrophobicContact CE1-CG2 4.03Å; F294-V298 HydrophobicContact CZ-CG2 4.39Å; F294-V298 WeakPolarHBondContact O-CG2 3.19Å; F294-V298 PolarHBondContact O-N 2.93Å; F295-V298 WeakPolarHBondContact O-CB 3.42Å; F295-V298 PolarHBondContact O-N 2.84Å; N296-V298 VanDerWaalsContact C-N 3.34Å; N296-V298 PolarHBondContact O-N 3.29Å; V298-V301 PolarHBondContact O-N 3.33Å; V298-G302 PolarHBondContact O-N 3.16Å; V298-T344 VanDerWaalsContact CG2-O 3.29Å; V298-T344 WeakPolarHBondContact CG2-O 3.3Å; V298-L345 HydrophobicContact CB-CD2 4.44Å; V298-L345 HydrophobicContact CG1-CD2 4.04Å; V298-L345 HydrophobicContact CG2-CD2 4.3Å
299E91.5Very high90.6Very high88 Ų8851.3 Ų51.341%0.41126%0.255SS..Hα-helixtrans-65.2-46177.5-72.9176.3-163.800112.1K260 F295 N296 V301 G302 M303K260-E299 WeakPolarHBondContact CE-OE2 3.31Å; K260-E299 IonicContact NZ-OE2 3.3Å; K260-E299 PolarHBondContact NZ-OE2 2.94Å; F295-E299 WeakPolarHBondContact O-CG 3.36Å; F295-E299 PolarHBondContact O-N 3.38Å; N296-E299 PolarHBondContact O-N 3.06Å; E299-V301 VanDerWaalsContact C-N 3.28Å; E299-V301 PolarHBondContact O-N 3.49Å; E299-G302 PolarHBondContact O-N 3.24Å; E299-G302 VanDerWaalsContact O-N 3.14Å; E299-M303 VanDerWaalsContact O-CG 3.3Å; E299-M303 WeakPolarHBondContact O-CG 3.49Å; E299-M303 PolarHBondContact O-N 2.95Å
300I91.3Very high90.7Very high1 Ų151.7 Ų51.71%0.00526%0.256CS..Hα-helixtrans-55.3-46.1175.7-71.5164.8000110.5L257 K260 I261 T264 N296 K297 M303 L304 L785L257-I300 HydrophobicContact CD1-CB 4.3Å; L257-I300 HydrophobicContact CD1-CG1 4.25Å; L257-I300 HydrophobicContact CD1-CG2 4.01Å; K260-I300 HydrophobicContact CB-CD1 4.48Å; K260-I300 HydrophobicContact CB-CG1 4Å; I261-I300 HydrophobicContact CG1-CD1 4Å; I261-I300 HydrophobicContact CG1-CG1 4.14Å; I261-I300 HydrophobicContact CG1-CG2 4.14Å; T264-I300 HydrophobicContact CG2-CD1 4.46Å; T264-I300 WeakPolarHBondContact OG1-CD1 3.47Å; N296-I300 VanDerWaalsContact O-CG1 3.26Å; N296-I300 WeakPolarHBondContact O-CG1 3.32Å; N296-I300 PolarHBondContact O-N 3.06Å; K297-I300 PolarHBondContact O-N 2.98Å; I300-M303 PolarHBondContact O-N 3.06Å; I300-L304 HydrophobicContact CG2-CD1 3.87Å; I300-L304 WeakPolarHBondContact O-CB 3.17Å; I300-L304 WeakPolarHBondContact O-CG 3.4Å; I300-L304 PolarHBondContact O-N 3.35Å; I300-L785 HydrophobicContact CG2-CD1 3.72Å
301V91.1Very high90.9Very high0 Ų048.5 Ų48.50%024%0.242CC..Hα-helixtrans-64.1-43.1178.71740000111.6K297 V298 E299 L304 Q305 F338 F341 L345 F353K297-V301 WeakPolarHBondContact O-CG2 3.39Å; K297-V301 PolarHBondContact O-N 2.94Å; V298-V301 PolarHBondContact O-N 3.33Å; E299-V301 VanDerWaalsContact C-N 3.28Å; E299-V301 PolarHBondContact O-N 3.49Å; V301-L304 PolarHBondContact O-N 3.4Å; V301-Q305 WeakPolarHBondContact O-CB 3.39Å; V301-Q305 PolarHBondContact O-N 2.78Å; V301-F338 HydrophobicContact CB-CE2 4.35Å; V301-F338 HydrophobicContact CG1-CE2 4.02Å; V301-F338 HydrophobicContact CG2-CD2 4.33Å; V301-F338 HydrophobicContact CG2-CE2 4.27Å; V301-F341 HydrophobicContact CG2-CB 3.51Å; V301-F341 HydrophobicContact CG2-CD2 4.08Å; V301-F341 HydrophobicContact CG2-CG 4.34Å; V301-L345 HydrophobicContact CB-CD2 4.32Å; V301-L345 HydrophobicContact CG1-CD1 3.91Å; V301-L345 HydrophobicContact CG1-CD2 4.14Å; V301-L345 HydrophobicContact CG1-CG 4.41Å; V301-F353 HydrophobicContact CG1-CD2 3.65Å; V301-F353 HydrophobicContact CG1-CE2 3.59Å; V301-F353 HydrophobicContact CG1-CZ 4.48Å
302G91.1Very high90.9Very high23 Ų2349.6 Ų49.624%0.23725%0.246CC..Hα-helixtrans-60.1-47.9176.600000112.6V298 E299 L304 Q305 D306V298-G302 PolarHBondContact O-N 3.16Å; E299-G302 PolarHBondContact O-N 3.24Å; E299-G302 VanDerWaalsContact O-N 3.14Å; G302-L304 PolarHBondContact O-N 3.3Å; G302-Q305 PolarHBondContact O-N 3.17Å; G302-D306 PolarHBondContact O-N 3.45Å
303M92Very high90.9Very high44 Ų4451.8 Ų51.822%0.21726%0.259CS..Hα-helixtrans-62.9-41.2179.3-66177.88600112.3D254 E256 L257 E299 I300 D307D254-M303 WeakPolarHBondContact OD2-CE 3.28Å; E256-M303 HydrophobicContact CB-CE 3.94Å; E256-M303 HydrophobicContact CG-CE 3.9Å; L257-M303 HydrophobicContact CB-CE 3.86Å; L257-M303 HydrophobicContact CB-SD 4.18Å; L257-M303 HydrophobicContact CD1-CB 4.04Å; L257-M303 HydrophobicContact CD1-SD 4.29Å; L257-M303 HydrophobicContact CD2-CB 4.44Å; E299-M303 VanDerWaalsContact O-CG 3.3Å; E299-M303 WeakPolarHBondContact O-CG 3.49Å; E299-M303 PolarHBondContact O-N 2.95Å; I300-M303 PolarHBondContact O-N 3.06Å; M303-D307 PolarHBondContact O-N 3.13Å
304L91.3Very high91.1Very high1 Ų151.2 Ų51.21%0.00526%0.256CS..Hα-helixtrans-69.1-37175.1-75.9170.3000112.6L257 I300 V301 G302 D306 D307 F310 F334 F338L257-L304 HydrophobicContact CD1-CG 4.3Å; L257-L304 HydrophobicContact CD2-CD2 3.61Å; L257-L304 HydrophobicContact CD2-CG 3.89Å; I300-L304 HydrophobicContact CG2-CD1 3.87Å; I300-L304 WeakPolarHBondContact O-CB 3.17Å; I300-L304 WeakPolarHBondContact O-CG 3.4Å; I300-L304 PolarHBondContact O-N 3.35Å; V301-L304 PolarHBondContact O-N 3.4Å; G302-L304 PolarHBondContact O-N 3.3Å; L304-D306 VanDerWaalsContact C-N 3.31Å; L304-D307 PolarHBondContact O-N 3.13Å; L304-F310 HydrophobicContact CD2-CD1 3.89Å; L304-F310 HydrophobicContact CD2-CD2 4.37Å; L304-F310 HydrophobicContact CD2-CE1 3.69Å; L304-F310 HydrophobicContact CD2-CE2 4.16Å; L304-F310 HydrophobicContact CD2-CG 4.25Å; L304-F310 HydrophobicContact CD2-CZ 3.84Å; L304-F334 HydrophobicContact CD1-CZ 4.03Å; L304-F334 HydrophobicContact CD2-CZ 4.44Å; L304-F338 HydrophobicContact CB-CE2 3.58Å; L304-F338 HydrophobicContact CB-CZ 3.7Å; L304-F338 HydrophobicContact CD1-CD2 3.95Å; L304-F338 HydrophobicContact CD1-CE2 3.73Å; L304-F338 HydrophobicContact CD1-CZ 4.48Å; L304-F338 HydrophobicContact CG-CE2 4.33Å
305Q90.9Very high91.2Very high30 Ų3047.4 Ų47.414%0.1424%0.24CC..Hα-helixtrans-65.5-35.8177.5-177.5-176.6-4.300111.8V301 G302 A352 F353 T356V301-Q305 WeakPolarHBondContact O-CB 3.39Å; V301-Q305 PolarHBondContact O-N 2.78Å; G302-Q305 PolarHBondContact O-N 3.17Å; Q305-A352 PolarHBondContact NE2-O 2.8Å; Q305-F353 HydrophobicContact CG-CD2 4.47Å; Q305-F353 VanDerWaalsContact NE2-CA 3.3Å; Q305-T356 HydrophobicContact CG-CG2 4.16Å; Q305-T356 PolarHBondContact NE2-OG1 3.45Å
306D90.6Very high91.2Very high135 Ų13544 Ų4472%0.72223%0.234SC*.Hα-helixtrans-79.1-17.3179.7-71.8-18.6000113.1G302 L304 E308G302-D306 PolarHBondContact O-N 3.45Å; L304-D306 VanDerWaalsContact C-N 3.31Å; D306-E308 PolarHBondContact O-N 2.81Å; D306-E308 VanDerWaalsContact O-N 3.16Å
307D90.8Very high91.2Very high44 Ų4446.6 Ų46.624%0.23525%0.246CC..  trans-84.283.1174.7-167.4-18.3000111.7M303 L304 K309 F310 L311M303-D307 PolarHBondContact O-N 3.13Å; L304-D307 PolarHBondContact O-N 3.13Å; D307-K309 PolarHBondContact O-N 3.05Å; D307-K309 WeakPolarHBondContact OD1-CB 3.35Å; D307-K309 PolarHBondContact OD1-N 3.48Å; D307-K309 VanDerWaalsContact OD1-N 3.13Å; D307-F310 HydrophobicContact CB-CB 3.85Å; D307-F310 VanDerWaalsContact CG-CB 3.4Å; D307-F310 PolarHBondContact O-N 2.93Å; D307-F310 PolarHBondContact OD1-N 3.48Å; D307-L311 PolarHBondContact O-N 3.36Å; D307-L311 VanDerWaalsContact O-N 3.16Å
308E88.6Confident91.2Very high135 Ų13545 Ų4563%0.63124%0.239SC*.Hα-helixtrans-56.2-32.3177.2-68.8-173.5170.100113D306 T312 M360D306-E308 PolarHBondContact O-N 2.81Å; D306-E308 VanDerWaalsContact O-N 3.16Å; E308-T312 VanDerWaalsContact O-CB 3.3Å; E308-T312 WeakPolarHBondContact O-CB 3.41Å; E308-T312 PolarHBondContact O-N 3.49Å; E308-T312 PolarHBondContact O-OG1 2.99Å; E308-M360 HydrophobicContact CB-CE 4.44Å; E308-M360 HydrophobicContact CG-CE 4.04Å
309K90.6Very high91Very high137 Ų13746 Ų4660%0.59625%0.245SC*.Hα-helixtrans-71.4-45.7-178.6-174.7-173.4173.4-1670110.2D307 L311 T312 D313D307-K309 PolarHBondContact O-N 3.05Å; D307-K309 WeakPolarHBondContact OD1-CB 3.35Å; D307-K309 PolarHBondContact OD1-N 3.48Å; D307-K309 VanDerWaalsContact OD1-N 3.13Å; K309-L311 VanDerWaalsContact C-N 3.35Å; K309-L311 PolarHBondContact O-N 3.26Å; K309-T312 PolarHBondContact O-N 3.21Å; K309-D313 WeakPolarHBondContact O-CB 3.11Å; K309-D313 PolarHBondContact O-N 3.35Å
310F91.6Very high90.9Very high8 Ų845.7 Ų45.74%0.03525%0.247CC..Hα-helixtrans-56.2-49.2175.5179.8-84.1000111.4I250 I252 L304 D307 T312 D313 L314 F334I250-F310 HydrophobicContact CB-CD2 4.06Å; I250-F310 HydrophobicContact CB-CE2 3.49Å; I250-F310 VanDerWaalsContact CB-CE2 3.49Å; I250-F310 HydrophobicContact CB-CZ 3.95Å; I250-F310 HydrophobicContact CD1-CE1 4.41Å; I250-F310 HydrophobicContact CD1-CE2 4.41Å; I250-F310 HydrophobicContact CD1-CZ 4.15Å; I250-F310 HydrophobicContact CG2-CD2 3.57Å; I250-F310 HydrophobicContact CG2-CE2 3.58Å; I250-F310 HydrophobicContact CG2-CG 4.37Å; I250-F310 HydrophobicContact CG2-CZ 4.34Å; I252-F310 HydrophobicContact CG1-CE2 4.17Å; L304-F310 HydrophobicContact CD2-CD1 3.89Å; L304-F310 HydrophobicContact CD2-CD2 4.37Å; L304-F310 HydrophobicContact CD2-CE1 3.69Å; L304-F310 HydrophobicContact CD2-CE2 4.16Å; L304-F310 HydrophobicContact CD2-CG 4.25Å; L304-F310 HydrophobicContact CD2-CZ 3.84Å; D307-F310 HydrophobicContact CB-CB 3.85Å; D307-F310 VanDerWaalsContact CG-CB 3.4Å; D307-F310 PolarHBondContact O-N 2.93Å; D307-F310 PolarHBondContact OD1-N 3.48Å; F310-T312 PolarHBondContact O-N 2.87Å; F310-D313 PolarHBondContact O-N 2.88Å; F310-L314 HydrophobicContact CE1-CD2 4.46Å; F310-L314 WeakPolarHBondContact O-CB 3.32Å; F310-L314 PolarHBondContact O-N 3.47Å; F310-F334 AromaticContact CE1-CE1 3.62Å; F310-F334 HydrophobicContact CE1-CE1 3.62Å; F310-F334 AromaticContact CE1-CZ 3.69Å; F310-F334 HydrophobicContact CE1-CZ 3.69Å; F310-F334 AromaticContact CZ-CE1 3.72Å; F310-F334 HydrophobicContact CZ-CE1 3.72Å; F310-F334 HydrophobicContact CZ-CE2 4.26Å; F310-F334 AromaticContact CZ-CZ 3.48Å; F310-F334 HydrophobicContact CZ-CZ 3.48Å; F310-F334 VanDerWaalsContact CZ-CZ 3.48Å
311L91.5Very high90.5Very high0 Ų054.9 Ų54.90%029%0.289CS..Hα-helixtrans-65.4-39.1179.1-65.5179.2000112.5D307 K309 L314 F315 F338 T356 L357 M360D307-L311 PolarHBondContact O-N 3.36Å; D307-L311 VanDerWaalsContact O-N 3.16Å; K309-L311 VanDerWaalsContact C-N 3.35Å; K309-L311 PolarHBondContact O-N 3.26Å; L311-L314 HydrophobicContact CD2-CD2 4.38Å; L311-L314 WeakPolarHBondContact O-CB 3.5Å; L311-L314 PolarHBondContact O-N 3.38Å; L311-F315 WeakPolarHBondContact O-CD2 3.37Å; L311-F315 PolarHBondContact O-N 2.83Å; L311-F338 HydrophobicContact CD2-CE1 3.78Å; L311-F338 HydrophobicContact CD2-CZ 4.33Å; L311-T356 HydrophobicContact CD1-CG2 3.96Å; L311-L357 HydrophobicContact CD2-CD2 4.36Å; L311-M360 HydrophobicContact CB-CG 4.22Å; L311-M360 HydrophobicContact CD1-CG 4.3Å
312T91.1Very high90.2Very high75 Ų7559 Ų5946%0.4632%0.323SS..Hα-helixtrans-62.4-46.1176.3-58.70000111.1E308 K309 F310 L314 A316E308-T312 VanDerWaalsContact O-CB 3.3Å; E308-T312 WeakPolarHBondContact O-CB 3.41Å; E308-T312 PolarHBondContact O-N 3.49Å; E308-T312 PolarHBondContact O-OG1 2.99Å; K309-T312 PolarHBondContact O-N 3.21Å; F310-T312 PolarHBondContact O-N 2.87Å; T312-L314 VanDerWaalsContact C-N 3.3Å; T312-L314 PolarHBondContact O-N 3.44Å; T312-A316 WeakPolarHBondContact O-CB 3.41Å; T312-A316 PolarHBondContact O-N 3.38Å
313D91.3Very high90Very high67 Ų6758.7 Ų58.736%0.35832%0.317SS..Hα-helixtrans-66.3-32.9178.8-70.9-13.6000111.5K309 F310 Q317K309-D313 WeakPolarHBondContact O-CB 3.11Å; K309-D313 PolarHBondContact O-N 3.35Å; F310-D313 PolarHBondContact O-N 2.88Å; D313-Q317 WeakPolarHBondContact O-CB 3.46Å; D313-Q317 WeakPolarHBondContact O-CG 3.41Å; D313-Q317 PolarHBondContact O-N 3.02Å; D313-Q317 VanDerWaalsContact O-N 3.11Å; D313-Q317 PolarHBondContact O-NE2 3Å
314L92.8Very high89.8Confident0 Ų061.3 Ų61.30%033%0.332CS..Hα-helixtrans-62.5-57.3174.4175.961.2000112.1I250 F310 L311 T312 A316 Q317 L318 L331 F334 L335I250-L314 HydrophobicContact CD1-CB 3.32Å; I250-L314 HydrophobicContact CD1-CD1 3.57Å; I250-L314 HydrophobicContact CD1-CG 3.98Å; F310-L314 HydrophobicContact CE1-CD2 4.46Å; F310-L314 WeakPolarHBondContact O-CB 3.32Å; F310-L314 PolarHBondContact O-N 3.47Å; L311-L314 HydrophobicContact CD2-CD2 4.38Å; L311-L314 WeakPolarHBondContact O-CB 3.5Å; L311-L314 PolarHBondContact O-N 3.38Å; T312-L314 VanDerWaalsContact C-N 3.3Å; T312-L314 PolarHBondContact O-N 3.44Å; L314-A316 VanDerWaalsContact C-N 3.33Å; L314-A316 PolarHBondContact O-N 3.46Å; L314-Q317 PolarHBondContact O-N 3.46Å; L314-L318 HydrophobicContact CD1-CD1 4.01Å; L314-L318 HydrophobicContact CD1-CG 4.4Å; L314-L318 HydrophobicContact CG-CD1 4.15Å; L314-L318 WeakPolarHBondContact O-CG 3.29Å; L314-L318 PolarHBondContact O-N 3.14Å; L314-L331 HydrophobicContact CD1-CB 4.26Å; L314-L331 HydrophobicContact CD1-CD2 3.58Å; L314-F334 HydrophobicContact CD1-CD1 4.27Å; L314-F334 HydrophobicContact CD2-CD1 4.24Å; L314-F334 HydrophobicContact CD2-CE1 4.13Å; L314-L335 HydrophobicContact CD2-CD1 4.38Å
315F92.7Very high89.5Confident8 Ų866.1 Ų66.14%0.03536%0.357CS..Hα-helixtrans-70.5-31.2-177.2-69.5-64.9000112.3L311 L318 T319 L335 L357 M360 I362 A365L311-F315 WeakPolarHBondContact O-CD2 3.37Å; L311-F315 PolarHBondContact O-N 2.83Å; F315-L318 HydrophobicContact CD1-CD1 4.15Å; F315-L318 HydrophobicContact CE1-CD1 4.44Å; F315-L318 PolarHBondContact O-N 3.43Å; F315-T319 WeakPolarHBondContact O-CG2 3.49Å; F315-T319 PolarHBondContact O-N 3.03Å; F315-T319 VanDerWaalsContact O-N 3.12Å; F315-T319 PolarHBondContact O-OG1 2.89Å; F315-L335 HydrophobicContact CE1-CD1 4.35Å; F315-L335 HydrophobicContact CE1-CD2 3.98Å; F315-L335 HydrophobicContact CZ-CD1 4.19Å; F315-L357 HydrophobicContact CE2-CD2 4.38Å; F315-L357 HydrophobicContact CZ-CD2 4.27Å; F315-M360 HydrophobicContact CD2-CB 3.59Å; F315-M360 WeakPolarHBondContact CD2-O 3.39Å; F315-M360 HydrophobicContact CE2-CB 3.62Å; F315-I362 VanDerWaalsContact CE1-CA 3.48Å; F315-I362 HydrophobicContact CE1-CB 3.71Å; F315-I362 HydrophobicContact CE1-CG1 3.94Å; F315-I362 HydrophobicContact CZ-CB 3.83Å; F315-I362 HydrophobicContact CZ-CD1 4.49Å; F315-I362 HydrophobicContact CZ-CG1 4.24Å; F315-A365 HydrophobicContact CD1-CB 3.88Å; F315-A365 HydrophobicContact CE1-CB 4.39Å
316A91.1Very high89.3Confident50 Ų5070 Ų7041%0.41338%0.379SS..Hα-helixtrans-61.7-47172.200000111.6T312 L314 T319 D320T312-A316 WeakPolarHBondContact O-CB 3.41Å; T312-A316 PolarHBondContact O-N 3.38Å; L314-A316 VanDerWaalsContact C-N 3.33Å; L314-A316 PolarHBondContact O-N 3.46Å; A316-T319 PolarHBondContact O-N 3.34Å; A316-T319 PolarHBondContact O-OG1 3.45Å; A316-D320 WeakPolarHBondContact O-CB 3.29Å; A316-D320 PolarHBondContact O-N 2.88Å
317Q91.2Very high89.2Confident60 Ų6066 Ų6628%0.2836%0.355SS..Hα-helixtrans-70.1-33.6178.5-7417769.400113D313 L314 T319 T323 L331D313-Q317 WeakPolarHBondContact O-CB 3.46Å; D313-Q317 WeakPolarHBondContact O-CG 3.41Å; D313-Q317 PolarHBondContact O-N 3.02Å; D313-Q317 VanDerWaalsContact O-N 3.11Å; D313-Q317 PolarHBondContact O-NE2 3Å; L314-Q317 PolarHBondContact O-N 3.46Å; Q317-T319 VanDerWaalsContact C-N 3.29Å; Q317-T319 PolarHBondContact O-N 3.46Å; Q317-T323 WeakPolarHBondContact O-CB 3.47Å; Q317-T323 PolarHBondContact O-OG1 2.73Å; Q317-L331 HydrophobicContact CB-CD1 3.65Å
318L90.1Very high89.2Confident0 Ų064.7 Ų64.70%035%0.347CS..Hα-helixtrans-63.9-35.2175.4-80171.9000112.7L314 F315 R328 L331 V332 L335 A365 I369L314-L318 HydrophobicContact CD1-CD1 4.01Å; L314-L318 HydrophobicContact CD1-CG 4.4Å; L314-L318 HydrophobicContact CG-CD1 4.15Å; L314-L318 WeakPolarHBondContact O-CG 3.29Å; L314-L318 PolarHBondContact O-N 3.14Å; F315-L318 HydrophobicContact CD1-CD1 4.15Å; F315-L318 HydrophobicContact CE1-CD1 4.44Å; F315-L318 PolarHBondContact O-N 3.43Å; L318-R328 HydrophobicContact CD2-CG 4.28Å; L318-L331 HydrophobicContact CD2-CB 3.41Å; L318-L331 VanDerWaalsContact CD2-CB 3.41Å; L318-L331 HydrophobicContact CD2-CD1 4.41Å; L318-L331 HydrophobicContact CG-CB 3.92Å; L318-V332 HydrophobicContact CD2-CG2 3.59Å; L318-L335 HydrophobicContact CD1-CD2 3.84Å; L318-A365 HydrophobicContact CB-CB 4.39Å; L318-I369 HydrophobicContact CD2-CD1 4.07Å
319T88.6Confident89.2Confident60 Ų6060.1 Ų60.137%0.36833%0.325SS..Hα-helixtrans-94.8-12.7-176.954.50000114.1F315 A316 Q317 E321 A365 V368F315-T319 WeakPolarHBondContact O-CG2 3.49Å; F315-T319 PolarHBondContact O-N 3.03Å; F315-T319 VanDerWaalsContact O-N 3.12Å; F315-T319 PolarHBondContact O-OG1 2.89Å; A316-T319 PolarHBondContact O-N 3.34Å; A316-T319 PolarHBondContact O-OG1 3.45Å; Q317-T319 VanDerWaalsContact C-N 3.29Å; Q317-T319 PolarHBondContact O-N 3.46Å; T319-E321 PolarHBondContact O-N 3.45Å; T319-A365 HydrophobicContact CG2-CB 4.01Å; T319-V368 HydrophobicContact CG2-CG2 4.42Å
320D88.5Confident89.2Confident82 Ų8255.5 Ų55.544%0.43931%0.306SS..  trans-73.7125.2178.9-171.1-0.2000111.2A316 A322 T323 R328A316-D320 WeakPolarHBondContact O-CB 3.29Å; A316-D320 PolarHBondContact O-N 2.88Å; D320-A322 PolarHBondContact O-N 3.44Å; D320-A322 WeakPolarHBondContact OD1-CB 3.34Å; D320-A322 PolarHBondContact OD1-N 2.8Å; D320-T323 WeakPolarHBondContact O-CB 3.49Å; D320-T323 PolarHBondContact O-N 3.39Å; D320-T323 PolarHBondContact O-OG1 3.44Å; D320-R328 PolarHBondContact O-NH2 2.94Å
321E82.3Confident89.3Confident194 Ų19455.1 Ų55.191%0.90730%0.304SS*.THydrogen-bonded Turntrans-63.6-23.5174.7-65.6-172.9167.900112.2T319 T323T319-E321 PolarHBondContact O-N 3.45Å; E321-T323 VanDerWaalsContact C-N 3.3Å
322A85.7Confident89.3Confident85 Ų8555.1 Ų55.170%0.70230%0.304SS*.THydrogen-bonded Turntrans-80.4-9.5178.800000113.8D320D320-A322 PolarHBondContact O-N 3.44Å; D320-A322 WeakPolarHBondContact OD1-CB 3.34Å; D320-A322 PolarHBondContact OD1-N 2.8Å
323T86Confident89.4Confident17 Ų1753.8 Ų53.810%0.10429%0.294CS..SBendtrans-69.1133.4177-57.20000110.2Q317 D320 E321 K327 R328 L331Q317-T323 WeakPolarHBondContact O-CB 3.47Å; Q317-T323 PolarHBondContact O-OG1 2.73Å; D320-T323 WeakPolarHBondContact O-CB 3.49Å; D320-T323 PolarHBondContact O-N 3.39Å; D320-T323 PolarHBondContact O-OG1 3.44Å; E321-T323 VanDerWaalsContact C-N 3.3Å; T323-K327 HydrophobicContact CG2-CB 4.1Å; T323-K327 HydrophobicContact CG2-CG 4.08Å; T323-R328 HydrophobicContact CG2-CB 4.2Å; T323-R328 PolarHBondContact O-NH1 3.21Å; T323-R328 PolarHBondContact O-NH2 3.41Å; T323-L331 HydrophobicContact CG2-CD1 4.22Å
324D87.8Confident89.4Confident100 Ų10051.4 Ų51.454%0.53528%0.281SS..  trans-64.3147.3175.9-178.479.8000111.7D326 K327 R328D324-D326 PolarHBondContact O-N 3.25Å; D324-D326 WeakPolarHBondContact OD2-CB 3.14Å; D324-D326 PolarHBondContact OD2-N 2.93Å; D324-D326 VanDerWaalsContact OD2-N 3.1Å; D324-K327 HydrophobicContact CB-CB 4.1Å; D324-K327 PolarHBondContact O-N 3.25Å; D324-K327 PolarHBondContact OD2-N 2.77Å; D324-R328 WeakPolarHBondContact O-CB 3.33Å; D324-R328 PolarHBondContact O-N 3.41Å
325D85.4Confident89.5Confident101 Ų10151.4 Ų51.454%0.5428%0.281SS..Hα-helixtrans-65.8-40.6-174.4-71.6-21.8000112.3K327 R328 Q329D325-K327 VanDerWaalsContact C-N 3.28Å; D325-K327 PolarHBondContact O-N 3.38Å; D325-R328 PolarHBondContact O-N 3.29Å; D325-R328 IonicContact OD1-NH1 3.6Å; D325-R328 PolarHBondContact OD1-NH1 3.15Å; D325-Q329 WeakPolarHBondContact O-CB 3.3Å; D325-Q329 PolarHBondContact O-N 2.95Å
326D87Confident89.5Confident111 Ų11154.2 Ų54.259%0.59429%0.293SS*.Hα-helixtrans-63.3-41.4175.6-64.4-22.5000109.6D324 R328 Q329 E330D324-D326 PolarHBondContact O-N 3.25Å; D324-D326 WeakPolarHBondContact OD2-CB 3.14Å; D324-D326 PolarHBondContact OD2-N 2.93Å; D324-D326 VanDerWaalsContact OD2-N 3.1Å; D326-R328 PolarHBondContact O-N 3.41Å; D326-Q329 PolarHBondContact O-N 3.42Å; D326-E330 WeakPolarHBondContact O-CG 3.43Å; D326-E330 PolarHBondContact O-N 3.19Å; D326-E330 VanDerWaalsContact O-N 3.08Å
327K88.9Confident89.5Confident51 Ų5153.2 Ų53.222%0.22228%0.28CS..Hα-helixtrans-65.3-40.4177.8-173.456.6178.91790112.1V249 T323 D324 D325 Q329 E330 L331V249-K327 WeakPolarHBondContact O-CE 3.47Å; V249-K327 PolarHBondContact O-NZ 3.1Å; T323-K327 HydrophobicContact CG2-CB 4.1Å; T323-K327 HydrophobicContact CG2-CG 4.08Å; D324-K327 HydrophobicContact CB-CB 4.1Å; D324-K327 PolarHBondContact O-N 3.25Å; D324-K327 PolarHBondContact OD2-N 2.77Å; D325-K327 VanDerWaalsContact C-N 3.28Å; D325-K327 PolarHBondContact O-N 3.38Å; K327-Q329 VanDerWaalsContact C-N 3.35Å; K327-E330 WeakPolarHBondContact CD-OE2 3.48Å; K327-E330 IonicContact NZ-OE2 3.55Å; K327-E330 PolarHBondContact NZ-OE2 3.21Å; K327-E330 WeakPolarHBondContact O-CB 3.34Å; K327-E330 PolarHBondContact O-N 2.61Å; K327-L331 HydrophobicContact CG-CD1 4.27Å; K327-L331 WeakPolarHBondContact O-CD1 3.37Å; K327-L331 VanDerWaalsContact O-CG 3.31Å; K327-L331 WeakPolarHBondContact O-CG 3.47Å; K327-L331 PolarHBondContact O-N 2.58Å; K327-L331 VanDerWaalsContact O-N 3.11Å
328R89.8Confident89.5Confident17 Ų1750.4 Ų50.46%0.06427%0.267CS..Hα-helixtrans-65.5-41177.3-165.1178.1-69.2104.6-1.7110.6L318 D320 T323 D324 D325 D326 E330 L331 V332 M372L318-R328 HydrophobicContact CD2-CG 4.28Å; D320-R328 PolarHBondContact O-NH2 2.94Å; T323-R328 HydrophobicContact CG2-CB 4.2Å; T323-R328 PolarHBondContact O-NH1 3.21Å; T323-R328 PolarHBondContact O-NH2 3.41Å; D324-R328 WeakPolarHBondContact O-CB 3.33Å; D324-R328 PolarHBondContact O-N 3.41Å; D325-R328 PolarHBondContact O-N 3.29Å; D325-R328 IonicContact OD1-NH1 3.6Å; D325-R328 PolarHBondContact OD1-NH1 3.15Å; D326-R328 PolarHBondContact O-N 3.41Å; R328-E330 VanDerWaalsContact C-N 3.34Å; R328-E330 PolarHBondContact O-N 3.14Å; R328-L331 WeakPolarHBondContact O-CB 3.37Å; R328-L331 PolarHBondContact O-N 3.37Å; R328-L331 VanDerWaalsContact O-N 3.16Å; R328-V332 VanDerWaalsContact O-CG2 3.31Å; R328-V332 WeakPolarHBondContact O-CG2 3.45Å; R328-V332 PolarHBondContact O-N 2.89Å; R328-M372 WeakPolarHBondContact CD-SD 3.45Å; R328-M372 HydrophobicContact CG-SD 4.37Å
329Q89.8Confident89.6Confident39 Ų3950.4 Ų50.418%0.18227%0.267CS..Hα-helixtrans-58.3-44.8174.9-173.3175.225.400112D325 D326 K327 L331 V332 N333 V377D325-Q329 WeakPolarHBondContact O-CB 3.3Å; D325-Q329 PolarHBondContact O-N 2.95Å; D326-Q329 PolarHBondContact O-N 3.42Å; K327-Q329 VanDerWaalsContact C-N 3.35Å; Q329-L331 PolarHBondContact O-N 3.03Å; Q329-V332 PolarHBondContact O-N 3.38Å; Q329-N333 PolarHBondContact O-N 3Å; Q329-V377 HydrophobicContact CB-CG2 4.04Å; Q329-V377 HydrophobicContact CG-CG2 3.95Å
330E90.5Very high89.8Confident40 Ų4048.6 Ų48.619%0.18726%0.258CS..Hα-helixtrans-59.2-43.9174.2-66.6166.7-164.500112.6K247 V249 D326 K327 R328 V332 N333 F334K247-E330 WeakPolarHBondContact CE-OE1 3.23Å; K247-E330 WeakPolarHBondContact CE-OE2 3Å; K247-E330 IonicContact NZ-OE1 3.86Å; K247-E330 PolarHBondContact NZ-OE1 3.21Å; K247-E330 IonicContact NZ-OE2 2.93Å; V249-E330 HydrophobicContact CG1-CB 3.81Å; V249-E330 HydrophobicContact CG2-CB 4.1Å; D326-E330 WeakPolarHBondContact O-CG 3.43Å; D326-E330 PolarHBondContact O-N 3.19Å; D326-E330 VanDerWaalsContact O-N 3.08Å; K327-E330 WeakPolarHBondContact CD-OE2 3.48Å; K327-E330 IonicContact NZ-OE2 3.55Å; K327-E330 PolarHBondContact NZ-OE2 3.21Å; K327-E330 WeakPolarHBondContact O-CB 3.34Å; K327-E330 PolarHBondContact O-N 2.61Å; R328-E330 VanDerWaalsContact C-N 3.34Å; R328-E330 PolarHBondContact O-N 3.14Å; E330-V332 VanDerWaalsContact C-N 3.34Å; E330-N333 PolarHBondContact O-N 3.07Å; E330-F334 WeakPolarHBondContact O-CB 3.3Å; E330-F334 PolarHBondContact O-N 3.45Å
331L92.5Very high89.8Confident0 Ų045.4 Ų45.40%024%0.24CC..Hα-helixtrans-64.1-40179.3-69.4161.3000111.5V249 I250 L314 Q317 L318 T323 K327 R328 Q329 L335V249-L331 HydrophobicContact CG1-CB 4.31Å; V249-L331 HydrophobicContact CG1-CD2 3.45Å; V249-L331 VanDerWaalsContact CG1-CD2 3.45Å; V249-L331 HydrophobicContact CG1-CG 3.67Å; I250-L331 HydrophobicContact CD1-CD2 3.79Å; I250-L331 HydrophobicContact CG1-CD2 3.76Å; L314-L331 HydrophobicContact CD1-CB 4.26Å; L314-L331 HydrophobicContact CD1-CD2 3.58Å; Q317-L331 HydrophobicContact CB-CD1 3.65Å; L318-L331 HydrophobicContact CD2-CB 3.41Å; L318-L331 VanDerWaalsContact CD2-CB 3.41Å; L318-L331 HydrophobicContact CD2-CD1 4.41Å; L318-L331 HydrophobicContact CG-CB 3.92Å; T323-L331 HydrophobicContact CG2-CD1 4.22Å; K327-L331 HydrophobicContact CG-CD1 4.27Å; K327-L331 WeakPolarHBondContact O-CD1 3.37Å; K327-L331 VanDerWaalsContact O-CG 3.31Å; K327-L331 WeakPolarHBondContact O-CG 3.47Å; K327-L331 PolarHBondContact O-N 2.58Å; K327-L331 VanDerWaalsContact O-N 3.11Å; R328-L331 WeakPolarHBondContact O-CB 3.37Å; R328-L331 PolarHBondContact O-N 3.37Å; R328-L331 VanDerWaalsContact O-N 3.16Å; Q329-L331 PolarHBondContact O-N 3.03Å; L331-L335 WeakPolarHBondContact O-CB 3.38Å; L331-L335 PolarHBondContact O-N 3.03Å
332V93.2Very high89.9Confident0 Ų036.1 Ų36.10%020%0.197CC..Hα-helixtrans-68.4-42.5177.4176.50000111L318 R328 Q329 E330 L335 K336 I369 V377 A380 I384L318-V332 HydrophobicContact CD2-CG2 3.59Å; R328-V332 VanDerWaalsContact O-CG2 3.31Å; R328-V332 WeakPolarHBondContact O-CG2 3.45Å; R328-V332 PolarHBondContact O-N 2.89Å; Q329-V332 PolarHBondContact O-N 3.38Å; E330-V332 VanDerWaalsContact C-N 3.34Å; V332-L335 PolarHBondContact O-N 3.11Å; V332-K336 WeakPolarHBondContact O-CB 3.46Å; V332-K336 PolarHBondContact O-N 2.83Å; V332-I369 HydrophobicContact CG1-CG2 4.29Å; V332-I369 HydrophobicContact CG2-CD1 3.77Å; V332-I369 HydrophobicContact CG2-CG1 3.97Å; V332-I369 HydrophobicContact CG2-CG2 3.81Å; V332-V377 HydrophobicContact CG1-CG1 4.48Å; V332-V377 HydrophobicContact CG2-CG1 4.26Å; V332-A380 HydrophobicContact CG1-CB 3.61Å; V332-I384 HydrophobicContact CG1-CD1 4.18Å
333N91.9Very high90Very high47 Ų4737.4 Ų37.425%0.25119%0.188SC..Hα-helixtrans-63-43.9176.1-74-14.2000111.5Q329 E330 L335 K336 E337Q329-N333 PolarHBondContact O-N 3Å; E330-N333 PolarHBondContact O-N 3.07Å; N333-L335 PolarHBondContact O-N 3.38Å; N333-K336 WeakPolarHBondContact O-CB 3.2Å; N333-K336 PolarHBondContact O-N 3.21Å; N333-E337 WeakPolarHBondContact O-CG 3.37Å; N333-E337 PolarHBondContact O-N 3.34Å
334F92.4Very high90.1Very high18 Ų1837.7 Ų37.78%0.07919%0.19CC..Hα-helixtrans-57.9-47.7173.1174.7-89.8000111.5V249 L304 F310 L314 E330 K336 E337 F338 L785V249-F334 HydrophobicContact CG2-CB 4.27Å; L304-F334 HydrophobicContact CD1-CZ 4.03Å; L304-F334 HydrophobicContact CD2-CZ 4.44Å; F310-F334 AromaticContact CE1-CE1 3.62Å; F310-F334 HydrophobicContact CE1-CE1 3.62Å; F310-F334 AromaticContact CE1-CZ 3.69Å; F310-F334 HydrophobicContact CE1-CZ 3.69Å; F310-F334 AromaticContact CZ-CE1 3.72Å; F310-F334 HydrophobicContact CZ-CE1 3.72Å; F310-F334 HydrophobicContact CZ-CE2 4.26Å; F310-F334 AromaticContact CZ-CZ 3.48Å; F310-F334 HydrophobicContact CZ-CZ 3.48Å; F310-F334 VanDerWaalsContact CZ-CZ 3.48Å; L314-F334 HydrophobicContact CD1-CD1 4.27Å; L314-F334 HydrophobicContact CD2-CD1 4.24Å; L314-F334 HydrophobicContact CD2-CE1 4.13Å; E330-F334 WeakPolarHBondContact O-CB 3.3Å; E330-F334 PolarHBondContact O-N 3.45Å; F334-K336 VanDerWaalsContact C-N 3.32Å; F334-K336 PolarHBondContact O-N 2.96Å; F334-E337 PolarHBondContact O-N 3.34Å; F334-F338 HydrophobicContact CE1-CB 4.35Å; F334-F338 VanDerWaalsContact O-CB 3.3Å; F334-F338 WeakPolarHBondContact O-CB 3.43Å; F334-F338 PolarHBondContact O-N 3.42Å; F334-L785 HydrophobicContact CD2-CD2 4.03Å; F334-L785 HydrophobicContact CE2-CD2 3.69Å; F334-L785 HydrophobicContact CZ-CD2 4.32Å
335L93.7Very high90Very high0 Ų033.6 Ų33.60%017%0.168CC..Hα-helixtrans-63.1-39.2179.1-179.260.3000111.8L314 F315 L318 L331 V332 N333 F338 C339 I362 I384L314-L335 HydrophobicContact CD2-CD1 4.38Å; F315-L335 HydrophobicContact CE1-CD1 4.35Å; F315-L335 HydrophobicContact CE1-CD2 3.98Å; F315-L335 HydrophobicContact CZ-CD1 4.19Å; L318-L335 HydrophobicContact CD1-CD2 3.84Å; L331-L335 WeakPolarHBondContact O-CB 3.38Å; L331-L335 PolarHBondContact O-N 3.03Å; V332-L335 PolarHBondContact O-N 3.11Å; N333-L335 PolarHBondContact O-N 3.38Å; L335-F338 HydrophobicContact CD1-CD1 4.35Å; L335-F338 PolarHBondContact O-N 2.86Å; L335-C339 WeakPolarHBondContact O-CB 3.43Å; L335-C339 PolarHBondContact O-N 3.28Å; L335-C339 PolarHBondContact O-SG 2.89Å; L335-C339 VanDerWaalsContact O-SG 3.38Å; L335-I362 HydrophobicContact CD1-CD1 4.13Å; L335-I362 HydrophobicContact CD2-CD1 4.28Å; L335-I362 HydrophobicContact CD2-CG1 4.26Å; L335-I384 HydrophobicContact CB-CD1 4.1Å; L335-I384 HydrophobicContact CD2-CD1 3.97Å; L335-I384 HydrophobicContact CG-CD1 3.84Å; L335-I384 HydrophobicContact CG-CG1 4.44Å
336K93.8Very high90Very high67 Ų6735.3 Ų35.329%0.29117%0.173SC..Hα-helixtrans-58.2-48.8173.7169.2179.4164.9168.10111.2V332 N333 F334 C339 A340 A380 D383 I384V332-K336 WeakPolarHBondContact O-CB 3.46Å; V332-K336 PolarHBondContact O-N 2.83Å; N333-K336 WeakPolarHBondContact O-CB 3.2Å; N333-K336 PolarHBondContact O-N 3.21Å; F334-K336 VanDerWaalsContact C-N 3.32Å; F334-K336 PolarHBondContact O-N 2.96Å; K336-C339 PolarHBondContact O-N 3.41Å; K336-A340 WeakPolarHBondContact O-CB 3.23Å; K336-A340 PolarHBondContact O-N 2.85Å; K336-A380 HydrophobicContact CB-CB 4.44Å; K336-A380 HydrophobicContact CD-CB 3.84Å; K336-D383 HydrophobicContact CD-CB 4.16Å; K336-D383 WeakPolarHBondContact CE-OD2 3.43Å; K336-D383 HydrophobicContact CG-CB 4.3Å; K336-D383 IonicContact NZ-OD2 3.59Å; K336-D383 PolarHBondContact NZ-OD2 2.62Å; K336-I384 HydrophobicContact CB-CD1 4.1Å; K336-I384 HydrophobicContact CB-CG1 3.91Å
337E90.8Very high90Very high28 Ų2834.2 Ų34.213%0.13117%0.172CC..Hα-helixtrans-68.2-38.1179.6-68.1-175135.500112.2N333 F334 C339 A340 F341 G784 L785N333-E337 WeakPolarHBondContact O-CG 3.37Å; N333-E337 PolarHBondContact O-N 3.34Å; F334-E337 PolarHBondContact O-N 3.34Å; E337-C339 VanDerWaalsContact C-N 3.34Å; E337-C339 PolarHBondContact O-N 3.23Å; E337-A340 WeakPolarHBondContact O-CB 3.46Å; E337-A340 PolarHBondContact O-N 3.02Å; E337-A340 VanDerWaalsContact O-N 3.15Å; E337-F341 WeakPolarHBondContact O-CD1 3.43Å; E337-F341 PolarHBondContact O-N 2.96Å; E337-G784 VanDerWaalsContact CD-O 3.31Å; E337-G784 VanDerWaalsContact OE1-C 3.28Å; E337-G784 PolarHBondContact OE1-N 2.87Å; E337-G784 VanDerWaalsContact OE2-O 3.12Å; E337-L785 HydrophobicContact CB-CD2 4.28Å; E337-L785 WeakPolarHBondContact OE2-CA 3.16Å; E337-L785 PolarHBondContact OE2-N 2.97Å
338F91.5Very high89.8Confident1 Ų139.3 Ų39.30%0.00420%0.196CC..Hα-helixtrans-60.5-43.3173.9-172.9-137.5000111.7V301 L304 L311 F334 L335 F341 F353 L357V301-F338 HydrophobicContact CB-CE2 4.35Å; V301-F338 HydrophobicContact CG1-CE2 4.02Å; V301-F338 HydrophobicContact CG2-CD2 4.33Å; V301-F338 HydrophobicContact CG2-CE2 4.27Å; L304-F338 HydrophobicContact CB-CE2 3.58Å; L304-F338 HydrophobicContact CB-CZ 3.7Å; L304-F338 HydrophobicContact CD1-CD2 3.95Å; L304-F338 HydrophobicContact CD1-CE2 3.73Å; L304-F338 HydrophobicContact CD1-CZ 4.48Å; L304-F338 HydrophobicContact CG-CE2 4.33Å; L311-F338 HydrophobicContact CD2-CE1 3.78Å; L311-F338 HydrophobicContact CD2-CZ 4.33Å; F334-F338 HydrophobicContact CE1-CB 4.35Å; F334-F338 VanDerWaalsContact O-CB 3.3Å; F334-F338 WeakPolarHBondContact O-CB 3.43Å; F334-F338 PolarHBondContact O-N 3.42Å; L335-F338 HydrophobicContact CD1-CD1 4.35Å; L335-F338 PolarHBondContact O-N 2.86Å; F338-F341 PolarHBondContact O-N 2.84Å; F338-F353 HydrophobicContact CD1-CE2 4.21Å; F338-F353 HydrophobicContact CD1-CZ 4.06Å; F338-F353 HydrophobicContact CD2-CE2 4.26Å; F338-F353 HydrophobicContact CD2-CZ 4.39Å; F338-F353 AromaticContact CE1-CE2 3.72Å; F338-F353 HydrophobicContact CE1-CE2 3.72Å; F338-F353 HydrophobicContact CE1-CZ 4.01Å; F338-F353 AromaticContact CE2-CE2 3.75Å; F338-F353 HydrophobicContact CE2-CE2 3.75Å; F338-F353 HydrophobicContact CE2-CZ 4.32Å; F338-F353 HydrophobicContact CG-CE2 4.48Å; F338-F353 HydrophobicContact CG-CZ 4.27Å; F338-F353 HydrophobicContact CZ-CD2 4.48Å; F338-F353 AromaticContact CZ-CE2 3.47Å; F338-F353 HydrophobicContact CZ-CE2 3.47Å; F338-F353 VanDerWaalsContact CZ-CE2 3.47Å; F338-F353 HydrophobicContact CZ-CZ 4.15Å; F338-L357 HydrophobicContact CD1-CD2 4.39Å; F338-L357 HydrophobicContact CE1-CD2 3.81Å
339C92.7Very high89.7Confident0 Ų042.2 Ų42.20%021%0.214CC..Hα-helixtrans-69.1-35.4172.3-69.80000112.5L335 K336 E337 F341 S342 Y387L335-C339 WeakPolarHBondContact O-CB 3.43Å; L335-C339 PolarHBondContact O-N 3.28Å; L335-C339 PolarHBondContact O-SG 2.89Å; L335-C339 VanDerWaalsContact O-SG 3.38Å; K336-C339 PolarHBondContact O-N 3.41Å; E337-C339 VanDerWaalsContact C-N 3.34Å; E337-C339 PolarHBondContact O-N 3.23Å; C339-F341 VanDerWaalsContact C-N 3.27Å; C339-F341 PolarHBondContact O-N 2.79Å; C339-S342 WeakPolarHBondContact O-CB 3.42Å; C339-S342 PolarHBondContact O-N 3.12Å; C339-S342 PolarHBondContact O-OG 2.79Å; C339-Y387 HydrophobicContact CB-CD2 3.58Å; C339-Y387 HydrophobicContact CB-CE2 4.23Å; C339-Y387 HydrophobicContact CB-CG 4.33Å
340A91.3Very high89.6Confident23 Ų2343.1 Ų43.119%0.1922%0.215CC..Hα-helixtrans-62.7-36.3175.900000111.6K336 E337 S342 Q343 Y387K336-A340 WeakPolarHBondContact O-CB 3.23Å; K336-A340 PolarHBondContact O-N 2.85Å; E337-A340 WeakPolarHBondContact O-CB 3.46Å; E337-A340 PolarHBondContact O-N 3.02Å; E337-A340 VanDerWaalsContact O-N 3.15Å; A340-S342 PolarHBondContact O-N 3.42Å; A340-Q343 WeakPolarHBondContact O-CB 3.35Å; A340-Q343 WeakPolarHBondContact O-CG 3.47Å; A340-Q343 PolarHBondContact O-N 3.4Å; A340-Y387 HydrophobicContact CB-CE2 4.08Å
341F88.7Confident89.5Confident14 Ų1444.3 Ų44.36%0.06122%0.223CC..G310 helixtrans-67.9-14.4175.7-76.220.3000112.8K297 V301 E337 F338 C339 Q343 T344 L785K297-F341 HydrophobicContact CB-CD2 3.91Å; K297-F341 HydrophobicContact CB-CE2 4.05Å; K297-F341 HydrophobicContact CD-CD1 4.32Å; K297-F341 HydrophobicContact CD-CD2 4.23Å; K297-F341 HydrophobicContact CD-CE1 4.01Å; K297-F341 HydrophobicContact CD-CE2 3.89Å; K297-F341 HydrophobicContact CD-CG 4.44Å; K297-F341 HydrophobicContact CD-CZ 3.79Å; K297-F341 HydrophobicContact CG-CD2 3.93Å; K297-F341 HydrophobicContact CG-CE2 3.56Å; K297-F341 HydrophobicContact CG-CZ 3.95Å; V301-F341 HydrophobicContact CG2-CB 3.51Å; V301-F341 HydrophobicContact CG2-CD2 4.08Å; V301-F341 HydrophobicContact CG2-CG 4.34Å; E337-F341 WeakPolarHBondContact O-CD1 3.43Å; E337-F341 PolarHBondContact O-N 2.96Å; F338-F341 PolarHBondContact O-N 2.84Å; C339-F341 VanDerWaalsContact C-N 3.27Å; C339-F341 PolarHBondContact O-N 2.79Å; F341-Q343 PolarHBondContact O-N 3.05Å; F341-Q343 VanDerWaalsContact O-N 3.11Å; F341-T344 PolarHBondContact O-N 2.76Å; F341-T344 PolarHBondContact O-OG1 2.82Å; F341-L785 HydrophobicContact CD2-CD1 3.9Å; F341-L785 HydrophobicContact CD2-CG 4.44Å; F341-L785 HydrophobicContact CE2-CD1 3.25Å; F341-L785 HydrophobicContact CE2-CG 3.81Å; F341-L785 HydrophobicContact CZ-CD1 3.85Å; F341-L785 HydrophobicContact CZ-CG 3.94Å
342S85.7Confident89.4Confident0 Ų046.3 Ų46.30%024%0.24CC..G310 helixtrans-59.7-22.9172.276.80000113.1C339 A340 T344 L345 F354C339-S342 WeakPolarHBondContact O-CB 3.42Å; C339-S342 PolarHBondContact O-N 3.12Å; C339-S342 PolarHBondContact O-OG 2.79Å; A340-S342 PolarHBondContact O-N 3.42Å; S342-T344 PolarHBondContact O-N 2.76Å; S342-L345 WeakPolarHBondContact O-CB 3.5Å; S342-L345 PolarHBondContact O-N 2.94Å; S342-L345 VanDerWaalsContact O-N 3.11Å; S342-F354 VanDerWaalsContact OG-CZ 3.26Å; S342-F354 WeakPolarHBondContact OG-CZ 3.35Å
343Q87.1Confident89.4Confident111 Ų11146.3 Ų46.352%0.51924%0.24SC..G310 helixtrans-64.5-26.1175-63.1-171.5-7.700112.9A340 F341 L345 Y391A340-Q343 WeakPolarHBondContact O-CB 3.35Å; A340-Q343 WeakPolarHBondContact O-CG 3.47Å; A340-Q343 PolarHBondContact O-N 3.4Å; F341-Q343 PolarHBondContact O-N 3.05Å; F341-Q343 VanDerWaalsContact O-N 3.11Å; Q343-L345 VanDerWaalsContact C-N 3.3Å; Q343-Y391 WeakPolarHBondContact CG-OH 3.39Å
344T86.9Confident89.3Confident24 Ų2444.1 Ų44.115%0.14723%0.228CC..G310 helixtrans-83.3-8.4176.867.70000112.4F294 K297 V298 F341 S342F294-T344 HydrophobicContact CD2-CG2 3.88Å; F294-T344 VanDerWaalsContact CE2-CB 3.5Å; F294-T344 HydrophobicContact CE2-CG2 4Å; F294-T344 WeakPolarHBondContact CE2-O 3.25Å; F294-T344 WeakPolarHBondContact CZ-O 3.28Å; K297-T344 HydrophobicContact CD-CG2 4.46Å; V298-T344 VanDerWaalsContact CG2-O 3.29Å; V298-T344 WeakPolarHBondContact CG2-O 3.3Å; F341-T344 PolarHBondContact O-N 2.76Å; F341-T344 PolarHBondContact O-OG1 2.82Å; S342-T344 PolarHBondContact O-N 2.76Å
345L86.3Confident89.2Confident14 Ų1448.8 Ų48.87%0.07325%0.248CC..SBendtrans-81.2146.3179-59.5178.8000111.6V298 V301 S342 Q343 N349 R350 F353V298-L345 HydrophobicContact CB-CD2 4.44Å; V298-L345 HydrophobicContact CG1-CD2 4.04Å; V298-L345 HydrophobicContact CG2-CD2 4.3Å; V301-L345 HydrophobicContact CB-CD2 4.32Å; V301-L345 HydrophobicContact CG1-CD1 3.91Å; V301-L345 HydrophobicContact CG1-CD2 4.14Å; V301-L345 HydrophobicContact CG1-CG 4.41Å; S342-L345 WeakPolarHBondContact O-CB 3.5Å; S342-L345 PolarHBondContact O-N 2.94Å; S342-L345 VanDerWaalsContact O-N 3.11Å; Q343-L345 VanDerWaalsContact C-N 3.3Å; L345-N349 HydrophobicContact CB-CB 4.44Å; L345-R350 HydrophobicContact CB-CB 4.05Å; L345-F353 HydrophobicContact CD1-CB 3.83Å; L345-F353 HydrophobicContact CD1-CD1 4.49Å; L345-F353 HydrophobicContact CD1-CD2 4.31Å; L345-F353 HydrophobicContact CD1-CG 3.98Å
346Q86.5Confident89.1Confident137 Ų13750.4 Ų50.464%0.6426%0.258SS*.  trans-62.5150.1166.9-65.8-176.68.600110.4Q348 N349 R350Q346-Q348 VanDerWaalsContact C-N 3.26Å; Q346-Q348 PolarHBondContact O-N 3.46Å; Q346-N349 PolarHBondContact O-N 2.96Å; Q346-R350 PolarHBondContact O-N 3.45Å
347P85.6Confident89.1Confident88 Ų8847.2 Ų47.257%0.57124%0.244SC*.Hα-helixtrans-51.3-40.2-174.5-29.735000114.7R350 D351P347-R350 PolarHBondContact O-N 3.1Å; P347-D351 PolarHBondContact O-N 3.3Å
348Q84.7Confident89Confident157 Ų15747.6 Ų47.673%0.73425%0.25SC*.Hα-helixtrans-65.8-42.1179.4-64.3-179.3-200112.9Q346 A352Q346-Q348 VanDerWaalsContact C-N 3.26Å; Q346-Q348 PolarHBondContact O-N 3.46Å; Q348-A352 PolarHBondContact O-N 3Å
349N87.6Confident88.9Confident79 Ų7954 Ų5442%0.42228%0.284SS..Hα-helixtrans-73.5-34.5178.9-66.5-6000110.6L345 Q346 A352 F353L345-N349 HydrophobicContact CB-CB 4.44Å; Q346-N349 PolarHBondContact O-N 2.96Å; N349-A352 PolarHBondContact O-N 3.32Å; N349-F353 WeakPolarHBondContact O-CB 3.32Å; N349-F353 PolarHBondContact O-N 3.38Å
350R89.4Confident88.8Confident57 Ų5756.4 Ų56.422%0.21530%0.296CS..Hα-helixtrans-62.8-43.2175.3-167.4-179.465.7-1755.1112.1L345 Q346 P347 A352 F353 F354 Y391L345-R350 HydrophobicContact CB-CB 4.05Å; Q346-R350 PolarHBondContact O-N 3.45Å; P347-R350 PolarHBondContact O-N 3.1Å; R350-A352 VanDerWaalsContact C-N 3.31Å; R350-A352 PolarHBondContact O-N 3.3Å; R350-F353 WeakPolarHBondContact O-CB 3.46Å; R350-F353 PolarHBondContact O-N 3.27Å; R350-F354 HydrophobicContact CG-CD2 3.88Å; R350-F354 HydrophobicContact CG-CE2 3.64Å; R350-F354 VanDerWaalsContact O-CD2 3.29Å; R350-F354 WeakPolarHBondContact O-CD2 3.41Å; R350-F354 PolarHBondContact O-N 3.42Å; R350-Y391 VanDerWaalsContact CZ-CE1 3.42Å
351D87.3Confident88.6Confident65 Ų6556.1 Ų56.135%0.34830%0.296SS..Hα-helixtrans-62.3-40.1175.1-72.6-6.4000111.7P347 K355P347-D351 PolarHBondContact O-N 3.3Å; D351-K355 WeakPolarHBondContact O-CB 3.24Å; D351-K355 WeakPolarHBondContact O-CD 3.48Å; D351-K355 VanDerWaalsContact O-CG 3.23Å; D351-K355 WeakPolarHBondContact O-CG 3.26Å; D351-K355 PolarHBondContact O-N 3.48Å
352A90.3Very high88.9Confident43 Ų4355.5 Ų55.536%0.35529%0.293SS..Hα-helixtrans-65.7-43175.800000111.7Q305 Q348 N349 R350 K355 T356Q305-A352 PolarHBondContact NE2-O 2.8Å; Q348-A352 PolarHBondContact O-N 3Å; N349-A352 PolarHBondContact O-N 3.32Å; R350-A352 VanDerWaalsContact C-N 3.31Å; R350-A352 PolarHBondContact O-N 3.3Å; A352-K355 WeakPolarHBondContact O-CB 3.42Å; A352-K355 PolarHBondContact O-N 3.15Å; A352-T356 PolarHBondContact O-N 3.47Å; A352-T356 PolarHBondContact O-OG1 2.68Å
353F92.8Very high89.2Confident0 Ų055.6 Ų55.60%029%0.293CS..Hα-helixtrans-54.9-56.2176.3172.5-98.1000112.2V301 Q305 F338 L345 N349 R350 K355 T356 L357V301-F353 HydrophobicContact CG1-CD2 3.65Å; V301-F353 HydrophobicContact CG1-CE2 3.59Å; V301-F353 HydrophobicContact CG1-CZ 4.48Å; Q305-F353 HydrophobicContact CG-CD2 4.47Å; Q305-F353 VanDerWaalsContact NE2-CA 3.3Å; F338-F353 HydrophobicContact CD1-CE2 4.21Å; F338-F353 HydrophobicContact CD1-CZ 4.06Å; F338-F353 HydrophobicContact CD2-CE2 4.26Å; F338-F353 HydrophobicContact CD2-CZ 4.39Å; F338-F353 AromaticContact CE1-CE2 3.72Å; F338-F353 HydrophobicContact CE1-CE2 3.72Å; F338-F353 HydrophobicContact CE1-CZ 4.01Å; F338-F353 AromaticContact CE2-CE2 3.75Å; F338-F353 HydrophobicContact CE2-CE2 3.75Å; F338-F353 HydrophobicContact CE2-CZ 4.32Å; F338-F353 HydrophobicContact CG-CE2 4.48Å; F338-F353 HydrophobicContact CG-CZ 4.27Å; F338-F353 HydrophobicContact CZ-CD2 4.48Å; F338-F353 AromaticContact CZ-CE2 3.47Å; F338-F353 HydrophobicContact CZ-CE2 3.47Å; F338-F353 VanDerWaalsContact CZ-CE2 3.47Å; F338-F353 HydrophobicContact CZ-CZ 4.15Å; L345-F353 HydrophobicContact CD1-CB 3.83Å; L345-F353 HydrophobicContact CD1-CD1 4.49Å; L345-F353 HydrophobicContact CD1-CD2 4.31Å; L345-F353 HydrophobicContact CD1-CG 3.98Å; N349-F353 WeakPolarHBondContact O-CB 3.32Å; N349-F353 PolarHBondContact O-N 3.38Å; R350-F353 WeakPolarHBondContact O-CB 3.46Å; R350-F353 PolarHBondContact O-N 3.27Å; F353-K355 VanDerWaalsContact C-N 3.29Å; F353-K355 PolarHBondContact O-N 3.11Å; F353-T356 WeakPolarHBondContact O-CB 3.49Å; F353-T356 PolarHBondContact O-N 2.97Å; F353-T356 VanDerWaalsContact O-N 3.08Å; F353-L357 HydrophobicContact CD1-CD1 4.13Å; F353-L357 HydrophobicContact CE1-CD1 3.43Å; F353-L357 VanDerWaalsContact CE1-CD1 3.43Å; F353-L357 HydrophobicContact CE1-CG 4.24Å; F353-L357 HydrophobicContact CE2-CD1 4.22Å; F353-L357 HydrophobicContact CE2-CG 4.45Å; F353-L357 HydrophobicContact CZ-CD1 3.51Å; F353-L357 HydrophobicContact CZ-CG 4.2Å; F353-L357 PolarHBondContact O-N 3.48Å
354F91.4Very high89.4Confident0 Ų052.6 Ų52.60%028%0.283CS..Hα-helixtrans-65.7-32.7-179.5-74.2-65.9000112.5S342 R350 L357 S358 L388 Y391 M395S342-F354 VanDerWaalsContact OG-CZ 3.26Å; S342-F354 WeakPolarHBondContact OG-CZ 3.35Å; R350-F354 HydrophobicContact CG-CD2 3.88Å; R350-F354 HydrophobicContact CG-CE2 3.64Å; R350-F354 VanDerWaalsContact O-CD2 3.29Å; R350-F354 WeakPolarHBondContact O-CD2 3.41Å; R350-F354 PolarHBondContact O-N 3.42Å; F354-L357 HydrophobicContact CD1-CD1 4.27Å; F354-L357 PolarHBondContact O-N 3.26Å; F354-S358 WeakPolarHBondContact O-CB 3.46Å; F354-S358 PolarHBondContact O-N 3.3Å; F354-L388 HydrophobicContact CD1-CD2 3.48Å; F354-L388 VanDerWaalsContact CD1-CD2 3.48Å; F354-L388 HydrophobicContact CD1-CG 4.49Å; F354-L388 HydrophobicContact CE1-CD2 3.95Å; F354-L388 HydrophobicContact CG-CD2 4.41Å; F354-Y391 HydrophobicContact CD2-CD2 4.3Å; F354-Y391 HydrophobicContact CD2-CG 4.48Å; F354-Y391 AromaticContact CE2-CD2 3.28Å; F354-Y391 HydrophobicContact CE2-CD2 3.28Å; F354-Y391 HydrophobicContact CE2-CE2 4.24Å; F354-Y391 AromaticContact CE2-CG 3.83Å; F354-Y391 HydrophobicContact CE2-CG 3.83Å; F354-Y391 AromaticContact CZ-CD2 3.56Å; F354-Y391 HydrophobicContact CZ-CD2 3.56Å; F354-Y391 HydrophobicContact CZ-CE2 4.31Å; F354-Y391 HydrophobicContact CZ-CG 4.46Å; F354-M395 VanDerWaalsContact C-CE 3.42Å; F354-M395 HydrophobicContact CB-CE 3.91Å; F354-M395 WeakPolarHBondContact O-CE 3.37Å
355K89.8Confident89.6Confident116 Ų11651.4 Ų51.450%0.50428%0.276SS..Hα-helixtrans-62.2-41.8171.5-76.4171.2-176.6171.50112.1D351 A352 F353 S358 N359 M395D351-K355 WeakPolarHBondContact O-CB 3.24Å; D351-K355 WeakPolarHBondContact O-CD 3.48Å; D351-K355 VanDerWaalsContact O-CG 3.23Å; D351-K355 WeakPolarHBondContact O-CG 3.26Å; D351-K355 PolarHBondContact O-N 3.48Å; A352-K355 WeakPolarHBondContact O-CB 3.42Å; A352-K355 PolarHBondContact O-N 3.15Å; F353-K355 VanDerWaalsContact C-N 3.29Å; F353-K355 PolarHBondContact O-N 3.11Å; K355-S358 PolarHBondContact O-N 3.09Å; K355-N359 PolarHBondContact O-N 3.37Å; K355-N359 PolarHBondContact O-ND2 2.77Å; K355-M395 HydrophobicContact CG-CE 4.49Å
356T91.9Very high89.9Confident34 Ų3450.8 Ų50.821%0.20927%0.273CS..Hα-helixtrans-60.5-50.7173.9-60.80000110.4Q305 L311 A352 F353 S358 N359 M360Q305-T356 HydrophobicContact CG-CG2 4.16Å; Q305-T356 PolarHBondContact NE2-OG1 3.45Å; L311-T356 HydrophobicContact CD1-CG2 3.96Å; A352-T356 PolarHBondContact O-N 3.47Å; A352-T356 PolarHBondContact O-OG1 2.68Å; F353-T356 WeakPolarHBondContact O-CB 3.49Å; F353-T356 PolarHBondContact O-N 2.97Å; F353-T356 VanDerWaalsContact O-N 3.08Å; T356-S358 VanDerWaalsContact C-N 3.3Å; T356-S358 PolarHBondContact O-N 3.44Å; T356-N359 PolarHBondContact O-N 3.16Å; T356-N359 VanDerWaalsContact O-N 3.13Å; T356-M360 HydrophobicContact CG2-CE 4.4Å; T356-M360 HydrophobicContact CG2-CG 4.32Å; T356-M360 VanDerWaalsContact O-CG 3.27Å; T356-M360 WeakPolarHBondContact O-CG 3.45Å; T356-M360 PolarHBondContact O-N 2.94Å
357L92.6Very high90Very high1 Ų146.2 Ų46.21%0.00525%0.251CS..Hα-helixtrans-59.4-40.1179.1-60.9-171.8000112.8L311 F315 F338 F353 F354 M360 G361 I362L311-L357 HydrophobicContact CD2-CD2 4.36Å; F315-L357 HydrophobicContact CE2-CD2 4.38Å; F315-L357 HydrophobicContact CZ-CD2 4.27Å; F338-L357 HydrophobicContact CD1-CD2 4.39Å; F338-L357 HydrophobicContact CE1-CD2 3.81Å; F353-L357 HydrophobicContact CD1-CD1 4.13Å; F353-L357 HydrophobicContact CE1-CD1 3.43Å; F353-L357 VanDerWaalsContact CE1-CD1 3.43Å; F353-L357 HydrophobicContact CE1-CG 4.24Å; F353-L357 HydrophobicContact CE2-CD1 4.22Å; F353-L357 HydrophobicContact CE2-CG 4.45Å; F353-L357 HydrophobicContact CZ-CD1 3.51Å; F353-L357 HydrophobicContact CZ-CG 4.2Å; F353-L357 PolarHBondContact O-N 3.48Å; F354-L357 HydrophobicContact CD1-CD1 4.27Å; F354-L357 PolarHBondContact O-N 3.26Å; L357-M360 PolarHBondContact O-N 3.37Å; L357-G361 PolarHBondContact O-N 3.08Å; L357-G361 VanDerWaalsContact O-N 3.16Å; L357-I362 HydrophobicContact CB-CB 4.18Å; L357-I362 HydrophobicContact CB-CD1 4.11Å; L357-I362 HydrophobicContact CB-CG2 4.01Å; L357-I362 HydrophobicContact CD1-CD1 3.87Å; L357-I362 WeakPolarHBondContact O-CG2 3.09Å; L357-I362 PolarHBondContact O-N 3.19Å; L357-I362 VanDerWaalsContact O-N 3.08Å
358S89.9Confident90.1Very high35 Ų3545.1 Ų45.125%0.24524%0.243CC..Hα-helixtrans-59.4-47174.5-168.40000112.2F354 K355 T356 M360 G361 M395F354-S358 WeakPolarHBondContact O-CB 3.46Å; F354-S358 PolarHBondContact O-N 3.3Å; K355-S358 PolarHBondContact O-N 3.09Å; T356-S358 VanDerWaalsContact C-N 3.3Å; T356-S358 PolarHBondContact O-N 3.44Å; S358-M360 PolarHBondContact O-N 3.35Å; S358-G361 PolarHBondContact O-N 3.4Å; S358-M395 WeakPolarHBondContact CB-SD 3.2Å; S358-M395 WeakPolarHBondContact OG-CG 3.44Å
359N89.4Confident90.4Very high135 Ų13537.6 Ų37.672%0.72221%0.208SC*.Hα-helixtrans-67-28179.8-68.5-24.1000112.5K355 T356 G361K355-N359 PolarHBondContact O-N 3.37Å; K355-N359 PolarHBondContact O-ND2 2.77Å; T356-N359 PolarHBondContact O-N 3.16Å; T356-N359 VanDerWaalsContact O-N 3.13Å; N359-G361 VanDerWaalsContact C-N 3.34Å
360M89Confident90.4Very high51 Ų5133.9 Ų33.925%0.25119%0.188SC..Hα-helixtrans-84.4-7.2178-62.4-61.3168.800113.5E308 L311 F315 T356 L357 S358E308-M360 HydrophobicContact CB-CE 4.44Å; E308-M360 HydrophobicContact CG-CE 4.04Å; L311-M360 HydrophobicContact CB-CG 4.22Å; L311-M360 HydrophobicContact CD1-CG 4.3Å; F315-M360 HydrophobicContact CD2-CB 3.59Å; F315-M360 WeakPolarHBondContact CD2-O 3.39Å; F315-M360 HydrophobicContact CE2-CB 3.62Å; T356-M360 HydrophobicContact CG2-CE 4.4Å; T356-M360 HydrophobicContact CG2-CG 4.32Å; T356-M360 VanDerWaalsContact O-CG 3.27Å; T356-M360 WeakPolarHBondContact O-CG 3.45Å; T356-M360 PolarHBondContact O-N 2.94Å; L357-M360 PolarHBondContact O-N 3.37Å; S358-M360 PolarHBondContact O-N 3.35Å
361G88.6Confident90.1Very high18 Ų1833.8 Ų33.819%0.18620%0.204CC..THydrogen-bonded Turntrans99.731.4172.100000115.7L357 S358 N359 L363 P364 A365L357-G361 PolarHBondContact O-N 3.08Å; L357-G361 VanDerWaalsContact O-N 3.16Å; S358-G361 PolarHBondContact O-N 3.4Å; N359-G361 VanDerWaalsContact C-N 3.34Å; G361-L363 VanDerWaalsContact C-N 3.33Å; G361-L363 PolarHBondContact O-N 2.95Å; G361-P364 WeakPolarHBondContact O-CD 3.28Å; G361-A365 WeakPolarHBondContact O-CB 3.24Å; G361-A365 PolarHBondContact O-N 3.16Å; G361-A365 VanDerWaalsContact O-N 3.08Å
362I93.9Very high89.9Confident0 Ų032.2 Ų32.20%020%0.196CC..Hα-helixtrans-60.3-38.1175.8-168.4164.5000114F315 L335 L357 A365 L366 I384 L388F315-I362 VanDerWaalsContact CE1-CA 3.48Å; F315-I362 HydrophobicContact CE1-CB 3.71Å; F315-I362 HydrophobicContact CE1-CG1 3.94Å; F315-I362 HydrophobicContact CZ-CB 3.83Å; F315-I362 HydrophobicContact CZ-CD1 4.49Å; F315-I362 HydrophobicContact CZ-CG1 4.24Å; L335-I362 HydrophobicContact CD1-CD1 4.13Å; L335-I362 HydrophobicContact CD2-CD1 4.28Å; L335-I362 HydrophobicContact CD2-CG1 4.26Å; L357-I362 HydrophobicContact CB-CB 4.18Å; L357-I362 HydrophobicContact CB-CD1 4.11Å; L357-I362 HydrophobicContact CB-CG2 4.01Å; L357-I362 HydrophobicContact CD1-CD1 3.87Å; L357-I362 WeakPolarHBondContact O-CG2 3.09Å; L357-I362 PolarHBondContact O-N 3.19Å; L357-I362 VanDerWaalsContact O-N 3.08Å; I362-A365 PolarHBondContact O-N 3.49Å; I362-L366 HydrophobicContact CG1-CD1 4.5Å; I362-L366 WeakPolarHBondContact O-CG 3.38Å; I362-L366 PolarHBondContact O-N 2.87Å; I362-I384 HydrophobicContact CD1-CG2 3.85Å; I362-I384 HydrophobicContact CG1-CG2 4.38Å; I362-L388 HydrophobicContact CD1-CD1 4.19Å; I362-L388 HydrophobicContact CD1-CD2 4.42Å; I362-L388 HydrophobicContact CG1-CD1 4.28Å; I362-L388 HydrophobicContact CG2-CD1 4.24Å; I362-L388 HydrophobicContact CG2-CD2 4.28Å
363L92.4Very high89.4Confident2 Ų235.2 Ų35.21%0.0121%0.205CC..Hα-helixtrans-70.3-46.6-178.2-69.9165.2000112.3G361 A365 L366 E367 L388 M395 V396 F399 L413G361-L363 VanDerWaalsContact C-N 3.33Å; G361-L363 PolarHBondContact O-N 2.95Å; L363-A365 VanDerWaalsContact C-N 3.27Å; L363-A365 PolarHBondContact O-N 3.45Å; L363-L366 HydrophobicContact CD2-CD1 4.46Å; L363-L366 PolarHBondContact O-N 3.48Å; L363-L366 VanDerWaalsContact O-N 3.16Å; L363-E367 PolarHBondContact O-N 3.14Å; L363-E367 VanDerWaalsContact O-N 3.09Å; L363-L388 HydrophobicContact CD2-CD1 3.97Å; L363-M395 HydrophobicContact CD1-CG 4.28Å; L363-M395 HydrophobicContact CD1-SD 4.48Å; L363-V396 HydrophobicContact CD2-CG2 4.35Å; L363-F399 HydrophobicContact CB-CD1 3.68Å; L363-F399 HydrophobicContact CB-CD2 3.82Å; L363-F399 HydrophobicContact CB-CE1 3.7Å; L363-F399 HydrophobicContact CB-CE2 3.85Å; L363-F399 HydrophobicContact CB-CG 3.74Å; L363-F399 HydrophobicContact CB-CZ 3.78Å; L363-F399 HydrophobicContact CD1-CB 3.41Å; L363-F399 VanDerWaalsContact CD1-CB 3.41Å; L363-F399 HydrophobicContact CD1-CD1 3.98Å; L363-F399 HydrophobicContact CD1-CD2 3.98Å; L363-F399 HydrophobicContact CD1-CG 3.5Å; L363-F399 VanDerWaalsContact CD1-CG 3.5Å; L363-F399 HydrophobicContact CG-CD1 4.28Å; L363-F399 HydrophobicContact CG-CG 4.19Å; L363-L413 HydrophobicContact CB-CD2 4.46Å; L363-L413 HydrophobicContact CD2-CD2 3.85Å
364P90.3Very high89Confident48 Ų4838 Ų3831%0.31222%0.221SC..Hα-helixtrans-57.1-38.2168.1-26.633.6000113.6G361 E367 V368 F399G361-P364 WeakPolarHBondContact O-CD 3.28Å; P364-E367 WeakPolarHBondContact O-CB 3.26Å; P364-E367 PolarHBondContact O-N 2.83Å; P364-V368 PolarHBondContact O-N 3.29Å; P364-F399 HydrophobicContact CG-CE2 3.69Å; P364-F399 HydrophobicContact CG-CZ 3.84Å
365A91.8Very high88.7Confident0 Ų042.6 Ų42.60%025%0.248CC..Hα-helixtrans-63.2-42.6175.800000111.5F315 L318 T319 G361 I362 L363 E367 V368 I369F315-A365 HydrophobicContact CD1-CB 3.88Å; F315-A365 HydrophobicContact CE1-CB 4.39Å; L318-A365 HydrophobicContact CB-CB 4.39Å; T319-A365 HydrophobicContact CG2-CB 4.01Å; G361-A365 WeakPolarHBondContact O-CB 3.24Å; G361-A365 PolarHBondContact O-N 3.16Å; G361-A365 VanDerWaalsContact O-N 3.08Å; I362-A365 PolarHBondContact O-N 3.49Å; L363-A365 VanDerWaalsContact C-N 3.27Å; L363-A365 PolarHBondContact O-N 3.45Å; A365-E367 VanDerWaalsContact C-N 3.33Å; A365-E367 PolarHBondContact O-N 2.82Å; A365-V368 PolarHBondContact O-N 2.99Å; A365-I369 HydrophobicContact CB-CD1 4.29Å; A365-I369 WeakPolarHBondContact O-CB 2.93Å; A365-I369 WeakPolarHBondContact O-CD1 3.24Å; A365-I369 WeakPolarHBondContact O-CG1 3.41Å; A365-I369 PolarHBondContact O-N 2.85Å
366L92.6Very high88.5Confident0 Ų043.5 Ų43.50%025%0.254CS..Hα-helixtrans-62.6-37.3176.6-74.9173.7000113I362 L363 V368 I369 L370 A381 I384 F385 L388 L413I362-L366 HydrophobicContact CG1-CD1 4.5Å; I362-L366 WeakPolarHBondContact O-CG 3.38Å; I362-L366 PolarHBondContact O-N 2.87Å; L363-L366 HydrophobicContact CD2-CD1 4.46Å; L363-L366 PolarHBondContact O-N 3.48Å; L363-L366 VanDerWaalsContact O-N 3.16Å; L366-V368 VanDerWaalsContact C-N 3.34Å; L366-V368 PolarHBondContact O-N 3.46Å; L366-I369 PolarHBondContact O-N 3.24Å; L366-L370 VanDerWaalsContact O-CB 3.23Å; L366-L370 WeakPolarHBondContact O-CB 3.34Å; L366-L370 WeakPolarHBondContact O-CD1 3.39Å; L366-L370 WeakPolarHBondContact O-CG 3.43Å; L366-L370 PolarHBondContact O-N 3Å; L366-A381 HydrophobicContact CD2-CB 3.95Å; L366-I384 HydrophobicContact CD1-CG2 4.13Å; L366-I384 HydrophobicContact CD2-CB 4.06Å; L366-I384 HydrophobicContact CD2-CG2 3.95Å; L366-I384 HydrophobicContact CG-CG2 4.42Å; L366-F385 HydrophobicContact CD1-CB 4.33Å; L366-F385 HydrophobicContact CD1-CD2 4.24Å; L366-L388 HydrophobicContact CD1-CD1 3.48Å; L366-L388 VanDerWaalsContact CD1-CD1 3.48Å; L366-L413 HydrophobicContact CB-CD1 4.36Å
367E89.3Confident88.4Confident41 Ų4141.9 Ų41.919%0.19225%0.245CC..Hα-helixtrans-56.6-48.3174.3-168.3-166.6154.100111L363 P364 A365 G371 I411 L413 L416L363-E367 PolarHBondContact O-N 3.14Å; L363-E367 VanDerWaalsContact O-N 3.09Å; P364-E367 WeakPolarHBondContact O-CB 3.26Å; P364-E367 PolarHBondContact O-N 2.83Å; A365-E367 VanDerWaalsContact C-N 3.33Å; A365-E367 PolarHBondContact O-N 2.82Å; E367-G371 PolarHBondContact O-N 3.34Å; E367-G371 VanDerWaalsContact O-N 3.17Å; E367-I411 WeakPolarHBondContact OE1-CG2 3.49Å; E367-L413 HydrophobicContact CB-CD1 4.3Å; E367-L416 HydrophobicContact CG-CD1 3.83Å
368V88.2Confident88.1Confident65 Ų6545 Ų4539%0.39426%0.256SS..Hα-helixtrans-64.3-47.6177.3176.70000111.6T319 P364 A365 L366 G371T319-V368 HydrophobicContact CG2-CG2 4.42Å; P364-V368 PolarHBondContact O-N 3.29Å; A365-V368 PolarHBondContact O-N 2.99Å; L366-V368 VanDerWaalsContact C-N 3.34Å; L366-V368 PolarHBondContact O-N 3.46Å; V368-G371 PolarHBondContact O-N 3.33Å
369I89.9Confident88.1Confident0 Ų044.9 Ų44.90%026%0.26CS..Hα-helixtrans-66.9-39.6-175.7-63157000111.1L318 V332 A365 L366 G371 M372 V377 A381L318-I369 HydrophobicContact CD2-CD1 4.07Å; V332-I369 HydrophobicContact CG1-CG2 4.29Å; V332-I369 HydrophobicContact CG2-CD1 3.77Å; V332-I369 HydrophobicContact CG2-CG1 3.97Å; V332-I369 HydrophobicContact CG2-CG2 3.81Å; A365-I369 HydrophobicContact CB-CD1 4.29Å; A365-I369 WeakPolarHBondContact O-CB 2.93Å; A365-I369 WeakPolarHBondContact O-CD1 3.24Å; A365-I369 WeakPolarHBondContact O-CG1 3.41Å; A365-I369 PolarHBondContact O-N 2.85Å; L366-I369 PolarHBondContact O-N 3.24Å; I369-G371 VanDerWaalsContact C-N 3.3Å; I369-G371 PolarHBondContact O-N 3.14Å; I369-M372 WeakPolarHBondContact O-CB 3.48Å; I369-M372 WeakPolarHBondContact O-CG 3.41Å; I369-M372 PolarHBondContact O-N 2.98Å; I369-V377 HydrophobicContact CG2-CG1 3.28Å; I369-A381 HydrophobicContact CB-CB 4.5Å; I369-A381 HydrophobicContact CG2-CB 3.8Å
370L87.5Confident88.3Confident1 Ų138.6 Ų38.61%0.00523%0.227CC..Hα-helixtrans-67.1-33.4176.5-72.8165.6000111.2L366 M372 A381 L413 I417 H420L366-L370 VanDerWaalsContact O-CB 3.23Å; L366-L370 WeakPolarHBondContact O-CB 3.34Å; L366-L370 WeakPolarHBondContact O-CD1 3.39Å; L366-L370 WeakPolarHBondContact O-CG 3.43Å; L366-L370 PolarHBondContact O-N 3Å; L370-M372 PolarHBondContact O-N 3.26Å; L370-A381 HydrophobicContact CD2-CB 3.72Å; L370-A381 HydrophobicContact CG-CB 4.01Å; L370-L413 HydrophobicContact CD1-CD1 3.7Å; L370-I417 HydrophobicContact CD1-CD1 3.59Å; L370-I417 HydrophobicContact CD1-CG1 4.26Å; L370-I417 HydrophobicContact CD2-CD1 4.42Å; L370-H420 PolarHBondContact O-CE1 2.75Å; L370-H420 PolarHBondContact O-NE2 3.02Å
371G82.8Confident88.4Confident54 Ų5436.1 Ų36.156%0.55722%0.215SC*.THydrogen-bonded Turntrans-63.9-8174.200000115.6E367 V368 I369E367-G371 PolarHBondContact O-N 3.34Å; E367-G371 VanDerWaalsContact O-N 3.17Å; V368-G371 PolarHBondContact O-N 3.33Å; I369-G371 VanDerWaalsContact C-N 3.3Å; I369-G371 PolarHBondContact O-N 3.14Å
372M83.5Confident88.6Confident33 Ų3335.9 Ų35.916%0.16321%0.21CC..SBendtrans-81.2150.5-179.7-59.9178.768.600112.9R328 I369 L370 D374 V377 R378R328-M372 WeakPolarHBondContact CD-SD 3.45Å; R328-M372 HydrophobicContact CG-SD 4.37Å; I369-M372 WeakPolarHBondContact O-CB 3.48Å; I369-M372 WeakPolarHBondContact O-CG 3.41Å; I369-M372 PolarHBondContact O-N 2.98Å; L370-M372 PolarHBondContact O-N 3.26Å; M372-D374 VanDerWaalsContact C-N 3.3Å; M372-D374 PolarHBondContact O-N 3.42Å; M372-V377 HydrophobicContact SD-CG1 4.05Å; M372-R378 WeakPolarHBondContact O-CD 3.45Å; M372-R378 PolarHBondContact O-NE 3.04Å
373D80.5Confident88.6Confident105 Ų10537.7 Ų37.756%0.56122%0.219SC*.SBendtrans-82.4-0.5179.3-78-42.2000114.5R378 K710D373-R378 PolarHBondContact O-NH2 2.88Å; D373-K710 IonicContact OD2-NZ 2.88Å; D373-K710 PolarHBondContact OD2-NZ 3.3Å
374D84.8Confident88.7Confident60 Ų6037.6 Ų37.632%0.32122%0.219SC..  trans-78.1128.2179.2-174.3-52.1000111.5M372 Q376 V377 R378M372-D374 VanDerWaalsContact C-N 3.3Å; M372-D374 PolarHBondContact O-N 3.42Å; D374-Q376 WeakPolarHBondContact OD1-CA 3.28Å; D374-Q376 WeakPolarHBondContact OD1-CB 3.36Å; D374-Q376 PolarHBondContact OD1-N 3.24Å; D374-V377 HydrophobicContact CB-CB 3.88Å; D374-V377 HydrophobicContact CB-CG2 3.88Å; D374-V377 PolarHBondContact OD1-N 3.45Å; D374-R378 WeakPolarHBondContact O-CB 3.43Å; D374-R378 WeakPolarHBondContact O-CG 3.49Å; D374-R378 PolarHBondContact O-N 2.97Å; D374-R378 VanDerWaalsContact O-N 3.13Å; D374-R378 PolarHBondContact O-NE 3.45Å; D374-R378 VanDerWaalsContact O-NE 3.08Å
375V84.6Confident89Confident96 Ų9635.4 Ų35.458%0.58221%0.205SC*.Hα-helixtrans-74-39-177.4179.80000112.1G379V375-G379 PolarHBondContact O-N 3.43Å
376Q85.5Confident89.1Confident134 Ų13436.1 Ų36.163%0.62621%0.21SC*.Hα-helixtrans-68.9-43.7179.8-67.1-170.4-26.900110.6D374 G379 A380D374-Q376 WeakPolarHBondContact OD1-CA 3.28Å; D374-Q376 WeakPolarHBondContact OD1-CB 3.36Å; D374-Q376 PolarHBondContact OD1-N 3.24Å; Q376-G379 PolarHBondContact O-N 3.19Å; Q376-A380 PolarHBondContact O-N 3.24Å
377V88.6Confident89.2Confident1 Ų137.7 Ų37.71%0.00622%0.216CC..Hα-helixtrans-62.7-44.3176.6173.20000111Q329 V332 I369 M372 D374 G379 A380 A381Q329-V377 HydrophobicContact CB-CG2 4.04Å; Q329-V377 HydrophobicContact CG-CG2 3.95Å; V332-V377 HydrophobicContact CG1-CG1 4.48Å; V332-V377 HydrophobicContact CG2-CG1 4.26Å; I369-V377 HydrophobicContact CG2-CG1 3.28Å; M372-V377 HydrophobicContact SD-CG1 4.05Å; D374-V377 HydrophobicContact CB-CB 3.88Å; D374-V377 HydrophobicContact CB-CG2 3.88Å; D374-V377 PolarHBondContact OD1-N 3.45Å; V377-G379 VanDerWaalsContact C-N 3.35Å; V377-G379 PolarHBondContact O-N 3.38Å; V377-A380 PolarHBondContact O-N 2.86Å; V377-A381 WeakPolarHBondContact O-CB 3.37Å; V377-A381 PolarHBondContact O-N 2.98Å
378R87.7Confident89.4Confident66 Ų6635.7 Ų35.725%0.24921%0.207CC..Hα-helixtrans-64.1-37.6175-76.4-175.1-79.6178-10.7113M372 D373 D374 A381 T382 H420M372-R378 WeakPolarHBondContact O-CD 3.45Å; M372-R378 PolarHBondContact O-NE 3.04Å; D373-R378 PolarHBondContact O-NH2 2.88Å; D374-R378 WeakPolarHBondContact O-CB 3.43Å; D374-R378 WeakPolarHBondContact O-CG 3.49Å; D374-R378 PolarHBondContact O-N 2.97Å; D374-R378 VanDerWaalsContact O-N 3.13Å; D374-R378 PolarHBondContact O-NE 3.45Å; D374-R378 VanDerWaalsContact O-NE 3.08Å; R378-A381 PolarHBondContact O-N 3.46Å; R378-T382 WeakPolarHBondContact O-CB 3.42Å; R378-T382 PolarHBondContact O-N 3.36Å; R378-T382 PolarHBondContact O-OG1 3.46Å; R378-H420 WeakPolarHBondContact CD-CE1 3.4Å
379G89.5Confident89.6Confident32 Ų3232.7 Ų32.733%0.3319%0.188SC..Hα-helixtrans-60.2-47.3172.500000111.8V375 Q376 V377 A381 T382 D383V375-G379 PolarHBondContact O-N 3.43Å; Q376-G379 PolarHBondContact O-N 3.19Å; V377-G379 VanDerWaalsContact C-N 3.35Å; V377-G379 PolarHBondContact O-N 3.38Å; G379-A381 PolarHBondContact O-N 3.49Å; G379-T382 WeakPolarHBondContact O-CB 3.41Å; G379-T382 PolarHBondContact O-N 2.86Å; G379-D383 PolarHBondContact O-N 2.89Å
380A92.3Very high89.7Confident3 Ų338.2 Ų38.23%0.02521%0.214CC..Hα-helixtrans-66-38.3177.600000112.9V332 K336 Q376 V377 T382 D383 I384V332-A380 HydrophobicContact CG1-CB 3.61Å; K336-A380 HydrophobicContact CB-CB 4.44Å; K336-A380 HydrophobicContact CD-CB 3.84Å; Q376-A380 PolarHBondContact O-N 3.24Å; V377-A380 PolarHBondContact O-N 2.86Å; A380-T382 VanDerWaalsContact C-N 3.32Å; A380-T382 PolarHBondContact O-N 3.38Å; A380-D383 PolarHBondContact O-N 3.37Å; A380-I384 WeakPolarHBondContact O-CG1 3.5Å; A380-I384 PolarHBondContact O-N 2.98Å
381A92.9Very high89.7Confident0 Ų039.5 Ų39.50%022%0.219CC..Hα-helixtrans-62.3-38.6172.400000112.4L366 I369 L370 V377 R378 G379 D383 I384 F385L366-A381 HydrophobicContact CD2-CB 3.95Å; I369-A381 HydrophobicContact CB-CB 4.5Å; I369-A381 HydrophobicContact CG2-CB 3.8Å; L370-A381 HydrophobicContact CD2-CB 3.72Å; L370-A381 HydrophobicContact CG-CB 4.01Å; V377-A381 WeakPolarHBondContact O-CB 3.37Å; V377-A381 PolarHBondContact O-N 2.98Å; R378-A381 PolarHBondContact O-N 3.46Å; G379-A381 PolarHBondContact O-N 3.49Å; A381-D383 VanDerWaalsContact C-N 3.34Å; A381-I384 PolarHBondContact O-N 3.01Å; A381-F385 WeakPolarHBondContact O-CB 3.35Å; A381-F385 PolarHBondContact O-N 3.15Å
382T92.5Very high90Very high12 Ų1238.2 Ų38.27%0.07420%0.199CC..Hα-helixtrans-62.5-41.4174.5-57.80000111.4R378 G379 A380 F385 S386 Q434 L435R378-T382 WeakPolarHBondContact O-CB 3.42Å; R378-T382 PolarHBondContact O-N 3.36Å; R378-T382 PolarHBondContact O-OG1 3.46Å; G379-T382 WeakPolarHBondContact O-CB 3.41Å; G379-T382 PolarHBondContact O-N 2.86Å; A380-T382 VanDerWaalsContact C-N 3.32Å; A380-T382 PolarHBondContact O-N 3.38Å; T382-F385 PolarHBondContact O-N 3.04Å; T382-S386 WeakPolarHBondContact O-CB 3.33Å; T382-S386 PolarHBondContact O-N 3.04Å; T382-Q434 HydrophobicContact CG2-CG 4.36Å; T382-L435 HydrophobicContact CG2-CD2 3.59Å; T382-L435 HydrophobicContact CG2-CG 4.06Å
383D93.6Very high90.4Very high38 Ų3837.6 Ų37.620%0.20320%0.198CC..Hα-helixtrans-64.1-46.2175.3-68.4-27.1000111.6K336 G379 A380 A381 F385 S386 Y387 Q434K336-D383 HydrophobicContact CD-CB 4.16Å; K336-D383 WeakPolarHBondContact CE-OD2 3.43Å; K336-D383 HydrophobicContact CG-CB 4.3Å; K336-D383 IonicContact NZ-OD2 3.59Å; K336-D383 PolarHBondContact NZ-OD2 2.62Å; G379-D383 PolarHBondContact O-N 2.89Å; A380-D383 PolarHBondContact O-N 3.37Å; A381-D383 VanDerWaalsContact C-N 3.34Å; D383-F385 VanDerWaalsContact C-N 3.33Å; D383-F385 PolarHBondContact O-N 3.11Å; D383-S386 WeakPolarHBondContact O-CB 3.36Å; D383-S386 PolarHBondContact O-N 2.8Å; D383-S386 VanDerWaalsContact O-N 3.14Å; D383-S386 PolarHBondContact O-OG 3.03Å; D383-Y387 WeakPolarHBondContact O-CD2 3.37Å; D383-Y387 PolarHBondContact O-N 3.26Å; D383-Q434 PolarHBondContact OD1-NE2 3.06Å
384I94.8Very high90.8Very high0 Ų033.8 Ų33.80%018%0.18CC..Hα-helixtrans-59.2-46.4175.9-65.4159.9000110.7V332 L335 K336 I362 L366 A380 A381 S386 Y387 L388V332-I384 HydrophobicContact CG1-CD1 4.18Å; L335-I384 HydrophobicContact CB-CD1 4.1Å; L335-I384 HydrophobicContact CD2-CD1 3.97Å; L335-I384 HydrophobicContact CG-CD1 3.84Å; L335-I384 HydrophobicContact CG-CG1 4.44Å; K336-I384 HydrophobicContact CB-CD1 4.1Å; K336-I384 HydrophobicContact CB-CG1 3.91Å; I362-I384 HydrophobicContact CD1-CG2 3.85Å; I362-I384 HydrophobicContact CG1-CG2 4.38Å; L366-I384 HydrophobicContact CD1-CG2 4.13Å; L366-I384 HydrophobicContact CD2-CB 4.06Å; L366-I384 HydrophobicContact CD2-CG2 3.95Å; L366-I384 HydrophobicContact CG-CG2 4.42Å; A380-I384 WeakPolarHBondContact O-CG1 3.5Å; A380-I384 PolarHBondContact O-N 2.98Å; A381-I384 PolarHBondContact O-N 3.01Å; I384-S386 VanDerWaalsContact C-N 3.27Å; I384-S386 PolarHBondContact O-N 3.13Å; I384-Y387 PolarHBondContact O-N 3.03Å; I384-L388 HydrophobicContact CG2-CD1 4.42Å; I384-L388 PolarHBondContact O-N 3.07Å
385F95.3Very high91.1Very high2 Ų231.7 Ų31.71%0.00917%0.168CC..Hα-helixtrans-61.4-36.9177.3-173.1-113000111.7L366 A381 T382 D383 Y387 L388 V389 V396 L413 I417 L438 L442L366-F385 HydrophobicContact CD1-CB 4.33Å; L366-F385 HydrophobicContact CD1-CD2 4.24Å; A381-F385 WeakPolarHBondContact O-CB 3.35Å; A381-F385 PolarHBondContact O-N 3.15Å; T382-F385 PolarHBondContact O-N 3.04Å; D383-F385 VanDerWaalsContact C-N 3.33Å; D383-F385 PolarHBondContact O-N 3.11Å; F385-Y387 PolarHBondContact O-N 3.15Å; F385-L388 PolarHBondContact O-N 3.19Å; F385-V389 HydrophobicContact CD1-CG2 4.08Å; F385-V389 HydrophobicContact CD2-CG2 4.35Å; F385-V389 HydrophobicContact CE1-CG2 3.7Å; F385-V389 HydrophobicContact CE2-CG2 4.02Å; F385-V389 HydrophobicContact CG-CG2 4.39Å; F385-V389 HydrophobicContact CZ-CG2 3.68Å; F385-V389 WeakPolarHBondContact O-CG2 3.42Å; F385-V389 PolarHBondContact O-N 2.98Å; F385-V396 HydrophobicContact CE2-CG1 3.77Å; F385-V396 HydrophobicContact CZ-CG1 4.12Å; F385-L413 HydrophobicContact CE2-CD2 4.38Å; F385-I417 HydrophobicContact CD1-CD1 3.72Å; F385-I417 HydrophobicContact CD1-CG1 4.3Å; F385-I417 HydrophobicContact CE1-CD1 3.85Å; F385-I417 HydrophobicContact CE1-CG1 3.91Å; F385-I417 HydrophobicContact CE1-CG2 4.21Å; F385-I417 HydrophobicContact CG-CD1 4.15Å; F385-I417 HydrophobicContact CZ-CD1 4.36Å; F385-I417 HydrophobicContact CZ-CG1 4.06Å; F385-L438 HydrophobicContact CD1-CB 4.49Å; F385-L438 HydrophobicContact CD1-CD1 3.61Å; F385-L438 HydrophobicContact CE1-CB 4.24Å; F385-L438 HydrophobicContact CE1-CD1 4.2Å; F385-L442 HydrophobicContact CE1-CD1 4.34Å; F385-L442 HydrophobicContact CZ-CD1 3.81Å
386S95Very high91.5Very high16 Ų1627.2 Ų27.211%0.11214%0.141CC..Hα-helixtrans-60.3-43.4176.281.50000112.4T382 D383 I384 L388 V389 E390T382-S386 WeakPolarHBondContact O-CB 3.33Å; T382-S386 PolarHBondContact O-N 3.04Å; D383-S386 WeakPolarHBondContact O-CB 3.36Å; D383-S386 PolarHBondContact O-N 2.8Å; D383-S386 VanDerWaalsContact O-N 3.14Å; D383-S386 PolarHBondContact O-OG 3.03Å; I384-S386 VanDerWaalsContact C-N 3.27Å; I384-S386 PolarHBondContact O-N 3.13Å; S386-L388 PolarHBondContact O-N 3.37Å; S386-V389 PolarHBondContact O-N 3.49Å; S386-E390 VanDerWaalsContact O-CB 3.28Å; S386-E390 WeakPolarHBondContact O-CB 3.47Å; S386-E390 PolarHBondContact O-N 3.26Å
387Y93.7Very high91.8Very high32 Ų3220.9 Ų20.913%0.12511%0.111CC..Hα-helixtrans-64.3-39.9176.3-60.9-51.3000112.2C339 A340 D383 I384 F385 Y391C339-Y387 HydrophobicContact CB-CD2 3.58Å; C339-Y387 HydrophobicContact CB-CE2 4.23Å; C339-Y387 HydrophobicContact CB-CG 4.33Å; A340-Y387 HydrophobicContact CB-CE2 4.08Å; D383-Y387 WeakPolarHBondContact O-CD2 3.37Å; D383-Y387 PolarHBondContact O-N 3.26Å; I384-Y387 PolarHBondContact O-N 3.03Å; F385-Y387 PolarHBondContact O-N 3.15Å; Y387-Y391 HydrophobicContact CD1-CE2 4.05Å; Y387-Y391 WeakPolarHBondContact O-CB 3.22Å; Y387-Y391 WeakPolarHBondContact O-CD2 3.47Å; Y387-Y391 PolarHBondContact O-N 3.28Å; Y387-Y391 VanDerWaalsContact O-N 3.09Å
388L93.6Very high91.9Very high0 Ų026.3 Ų26.30%014%0.137CC..Hα-helixtrans-63.5-45.6177-69.9169.6000111.8F354 I362 L363 L366 I384 F385 S386 N392 M395 V396F354-L388 HydrophobicContact CD1-CD2 3.48Å; F354-L388 VanDerWaalsContact CD1-CD2 3.48Å; F354-L388 HydrophobicContact CD1-CG 4.49Å; F354-L388 HydrophobicContact CE1-CD2 3.95Å; F354-L388 HydrophobicContact CG-CD2 4.41Å; I362-L388 HydrophobicContact CD1-CD1 4.19Å; I362-L388 HydrophobicContact CD1-CD2 4.42Å; I362-L388 HydrophobicContact CG1-CD1 4.28Å; I362-L388 HydrophobicContact CG2-CD1 4.24Å; I362-L388 HydrophobicContact CG2-CD2 4.28Å; L363-L388 HydrophobicContact CD2-CD1 3.97Å; L366-L388 HydrophobicContact CD1-CD1 3.48Å; L366-L388 VanDerWaalsContact CD1-CD1 3.48Å; I384-L388 HydrophobicContact CG2-CD1 4.42Å; I384-L388 PolarHBondContact O-N 3.07Å; F385-L388 PolarHBondContact O-N 3.19Å; S386-L388 PolarHBondContact O-N 3.37Å; L388-N392 CarbonylContact O-C 3.55Å; L388-N392 WeakPolarHBondContact O-CA 3.32Å; L388-N392 PolarHBondContact O-N 2.99Å; L388-M395 HydrophobicContact CD2-SD 4.29Å; L388-V396 HydrophobicContact CB-CG2 4.09Å
389V93.7Very high92Very high1 Ų125 Ų251%0.00613%0.133CC..Hα-helixtrans-69.7-39.5-179.91740000111.9F385 S386 P393 V396 L438 T441 L442F385-V389 HydrophobicContact CD1-CG2 4.08Å; F385-V389 HydrophobicContact CD2-CG2 4.35Å; F385-V389 HydrophobicContact CE1-CG2 3.7Å; F385-V389 HydrophobicContact CE2-CG2 4.02Å; F385-V389 HydrophobicContact CG-CG2 4.39Å; F385-V389 HydrophobicContact CZ-CG2 3.68Å; F385-V389 WeakPolarHBondContact O-CG2 3.42Å; F385-V389 PolarHBondContact O-N 2.98Å; S386-V389 PolarHBondContact O-N 3.49Å; V389-P393 WeakPolarHBondContact O-CD 3.26Å; V389-V396 HydrophobicContact CG2-CG2 4.33Å; V389-L438 HydrophobicContact CB-CD2 4.21Å; V389-L438 HydrophobicContact CG1-CB 4.38Å; V389-L438 HydrophobicContact CG1-CD2 4.22Å; V389-T441 HydrophobicContact CG1-CG2 3.74Å; V389-L442 HydrophobicContact CG1-CD2 4.1Å; V389-L442 HydrophobicContact CG1-CG 3.93Å; V389-L442 HydrophobicContact CG2-CD1 4.01Å; V389-L442 HydrophobicContact CG2-CD2 4.07Å; V389-L442 HydrophobicContact CG2-CG 4.05Å
390E91Very high92.1Very high117 Ų11723.7 Ų23.755%0.54712%0.118SC..Hα-helixtrans-65.4-41.6179.3-172.8-174.9149.100111.7S386S386-E390 VanDerWaalsContact O-CB 3.28Å; S386-E390 WeakPolarHBondContact O-CB 3.47Å; S386-E390 PolarHBondContact O-N 3.26Å
391Y88.5Confident91.9Very high27 Ų2725.2 Ų25.211%0.10613%0.125CC..Hα-helixtrans-97.9-30.3-171.8-59.2-44.2000114.6Q343 R350 F354 Y387Q343-Y391 WeakPolarHBondContact CG-OH 3.39Å; R350-Y391 VanDerWaalsContact CZ-CE1 3.42Å; F354-Y391 HydrophobicContact CD2-CD2 4.3Å; F354-Y391 HydrophobicContact CD2-CG 4.48Å; F354-Y391 AromaticContact CE2-CD2 3.28Å; F354-Y391 HydrophobicContact CE2-CD2 3.28Å; F354-Y391 HydrophobicContact CE2-CE2 4.24Å; F354-Y391 AromaticContact CE2-CG 3.83Å; F354-Y391 HydrophobicContact CE2-CG 3.83Å; F354-Y391 AromaticContact CZ-CD2 3.56Å; F354-Y391 HydrophobicContact CZ-CD2 3.56Å; F354-Y391 HydrophobicContact CZ-CE2 4.31Å; F354-Y391 HydrophobicContact CZ-CG 4.46Å; Y387-Y391 HydrophobicContact CD1-CE2 4.05Å; Y387-Y391 WeakPolarHBondContact O-CB 3.22Å; Y387-Y391 WeakPolarHBondContact O-CD2 3.47Å; Y387-Y391 PolarHBondContact O-N 3.28Å; Y387-Y391 VanDerWaalsContact O-N 3.09Å
392N88.1Confident91.6Very high27 Ų2729.7 Ų29.714%0.14415%0.146CC..  trans-147.970.5179.5-158.7-23.6000112.7L388 S394 M395L388-N392 CarbonylContact O-C 3.55Å; L388-N392 WeakPolarHBondContact O-CA 3.32Å; L388-N392 PolarHBondContact O-N 2.99Å; N392-S394 VanDerWaalsContact C-N 3.3Å; N392-S394 PolarHBondContact O-N 3.37Å; N392-M395 HydrophobicContact CB-CB 4.26Å; N392-M395 HydrophobicContact CB-CE 4.14Å; N392-M395 WeakPolarHBondContact O-CB 3.04Å; N392-M395 PolarHBondContact O-N 2.8Å; N392-M395 PolarHBondContact OD1-N 3.44Å
393P91.5Very high91.3Very high21 Ų2129.6 Ų29.614%0.13615%0.145CC..Hα-helixtrans-63.1-33.7-178.324-32.4000112.9V389 M395 V396 R397 L442V389-P393 WeakPolarHBondContact O-CD 3.26Å; P393-M395 VanDerWaalsContact C-N 3.33Å; P393-M395 PolarHBondContact O-N 3.39Å; P393-V396 PolarHBondContact O-N 3.25Å; P393-R397 WeakPolarHBondContact O-CG 3.34Å; P393-R397 PolarHBondContact O-N 3.42Å; P393-L442 HydrophobicContact CB-CD2 4.09Å
394S89.6Confident90.7Very high25 Ų2529.1 Ų29.118%0.17515%0.145CC..Hα-helixtrans-63.5-35.8179.4-71.80000113N392 R397 E398 E456N392-S394 VanDerWaalsContact C-N 3.3Å; N392-S394 PolarHBondContact O-N 3.37Å; S394-R397 PolarHBondContact O-N 2.84Å; S394-E398 WeakPolarHBondContact O-CB 3.43Å; S394-E398 PolarHBondContact O-N 2.85Å; S394-E456 WeakPolarHBondContact CB-OE1 3.48Å; S394-E456 PolarHBondContact OG-OE1 3.43Å
395M90.4Very high90Very high16 Ų1636.9 Ų36.98%0.07918%0.181CC..Hα-helixtrans-60.5-45.7173.2171.3-153.6-68.500111.4F354 K355 S358 L363 L388 N392 P393 R397 E398 F399F354-M395 VanDerWaalsContact C-CE 3.42Å; F354-M395 HydrophobicContact CB-CE 3.91Å; F354-M395 WeakPolarHBondContact O-CE 3.37Å; K355-M395 HydrophobicContact CG-CE 4.49Å; S358-M395 WeakPolarHBondContact CB-SD 3.2Å; S358-M395 WeakPolarHBondContact OG-CG 3.44Å; L363-M395 HydrophobicContact CD1-CG 4.28Å; L363-M395 HydrophobicContact CD1-SD 4.48Å; L388-M395 HydrophobicContact CD2-SD 4.29Å; N392-M395 HydrophobicContact CB-CB 4.26Å; N392-M395 HydrophobicContact CB-CE 4.14Å; N392-M395 WeakPolarHBondContact O-CB 3.04Å; N392-M395 PolarHBondContact O-N 2.8Å; N392-M395 PolarHBondContact OD1-N 3.44Å; P393-M395 VanDerWaalsContact C-N 3.33Å; P393-M395 PolarHBondContact O-N 3.39Å; M395-R397 VanDerWaalsContact C-N 3.32Å; M395-R397 PolarHBondContact O-N 2.84Å; M395-E398 PolarHBondContact O-N 3.34Å; M395-F399 PolarHBondContact O-N 2.88Å
396V92.9Very high89Confident2 Ų244.4 Ų44.41%0.01222%0.216CC..Hα-helixtrans-62.2-43.2178.6-178.30000110.2L363 F385 L388 V389 P393 F399 V400 L442L363-V396 HydrophobicContact CD2-CG2 4.35Å; F385-V396 HydrophobicContact CE2-CG1 3.77Å; F385-V396 HydrophobicContact CZ-CG1 4.12Å; L388-V396 HydrophobicContact CB-CG2 4.09Å; V389-V396 HydrophobicContact CG2-CG2 4.33Å; P393-V396 PolarHBondContact O-N 3.25Å; V396-F399 PolarHBondContact O-N 2.88Å; V396-V400 WeakPolarHBondContact O-CG2 3.46Å; V396-V400 PolarHBondContact O-N 2.8Å; V396-V400 VanDerWaalsContact O-N 3.1Å; V396-L442 HydrophobicContact CB-CD2 3.99Å; V396-L442 HydrophobicContact CG1-CD1 4.12Å; V396-L442 HydrophobicContact CG1-CD2 4.01Å
397R92.6Very high88Confident0 Ų046.3 Ų46.30%023%0.225CC..Hα-helixtrans-60.2-46.6176.1-67.8-178.9-176.9132.90.8112.7P393 S394 M395 F399 V400 M401 T441 L442 D444 N447 E456 F460P393-R397 WeakPolarHBondContact O-CG 3.34Å; P393-R397 PolarHBondContact O-N 3.42Å; S394-R397 PolarHBondContact O-N 2.84Å; M395-R397 VanDerWaalsContact C-N 3.32Å; M395-R397 PolarHBondContact O-N 2.84Å; R397-F399 VanDerWaalsContact C-N 3.32Å; R397-F399 PolarHBondContact O-N 2.84Å; R397-V400 VanDerWaalsContact O-CG2 3.3Å; R397-V400 WeakPolarHBondContact O-CG2 3.45Å; R397-V400 PolarHBondContact O-N 3.03Å; R397-M401 WeakPolarHBondContact O-CB 3.39Å; R397-M401 WeakPolarHBondContact O-CE 3.25Å; R397-M401 VanDerWaalsContact O-CG 3.31Å; R397-M401 WeakPolarHBondContact O-CG 3.16Å; R397-M401 PolarHBondContact O-N 2.93Å; R397-M401 VanDerWaalsContact O-N 3.11Å; R397-T441 PolarHBondContact NH2-O 3.48Å; R397-L442 HydrophobicContact CG-CD2 4.37Å; R397-L442 VanDerWaalsContact CZ-O 3.31Å; R397-L442 PolarHBondContact NE-O 3.44Å; R397-L442 PolarHBondContact NH2-O 3.27Å; R397-D444 PolarHBondContact NH2-O 2.93Å; R397-N447 PolarHBondContact NH1-O 2.83Å; R397-N447 PolarHBondContact NH1-OD1 2.83Å; R397-N447 PolarHBondContact NH2-OD1 2.99Å; R397-E456 IonicContact NH1-OE1 3.75Å; R397-F460 HydrophobicContact CB-CD2 3.67Å; R397-F460 HydrophobicContact CB-CE2 3.83Å; R397-F460 HydrophobicContact CB-CG 4.28Å; R397-F460 HydrophobicContact CG-CD1 4.25Å; R397-F460 HydrophobicContact CG-CD2 3.7Å; R397-F460 HydrophobicContact CG-CE1 4.14Å; R397-F460 HydrophobicContact CG-CE2 3.59Å; R397-F460 HydrophobicContact CG-CG 4.03Å; R397-F460 HydrophobicContact CG-CZ 3.82Å
398E89.9Confident87Confident116 Ų11650.7 Ų50.754%0.54225%0.251SS..Hα-helixtrans-60.6-44.3179.9-177.5173.2-166.900110.9S394 M395 M401 Q402S394-E398 WeakPolarHBondContact O-CB 3.43Å; S394-E398 PolarHBondContact O-N 2.85Å; M395-E398 PolarHBondContact O-N 3.34Å; E398-M401 PolarHBondContact O-N 3.36Å; E398-Q402 VanDerWaalsContact O-CG 3.31Å; E398-Q402 WeakPolarHBondContact O-CG 3.44Å; E398-Q402 PolarHBondContact O-N 3.11Å; E398-Q402 VanDerWaalsContact O-N 3.08Å; E398-Q402 PolarHBondContact OE1-NE2 3Å
399F90.4Very high86Confident39 Ų3953 Ų5317%0.17126%0.263CS..Hα-helixtrans-60.4-53.1177.3177.9-95.6000112.7L363 P364 M395 V396 R397 M401 Q402 E403 L413L363-F399 HydrophobicContact CB-CD1 3.68Å; L363-F399 HydrophobicContact CB-CD2 3.82Å; L363-F399 HydrophobicContact CB-CE1 3.7Å; L363-F399 HydrophobicContact CB-CE2 3.85Å; L363-F399 HydrophobicContact CB-CG 3.74Å; L363-F399 HydrophobicContact CB-CZ 3.78Å; L363-F399 HydrophobicContact CD1-CB 3.41Å; L363-F399 VanDerWaalsContact CD1-CB 3.41Å; L363-F399 HydrophobicContact CD1-CD1 3.98Å; L363-F399 HydrophobicContact CD1-CD2 3.98Å; L363-F399 HydrophobicContact CD1-CG 3.5Å; L363-F399 VanDerWaalsContact CD1-CG 3.5Å; L363-F399 HydrophobicContact CG-CD1 4.28Å; L363-F399 HydrophobicContact CG-CG 4.19Å; P364-F399 HydrophobicContact CG-CE2 3.69Å; P364-F399 HydrophobicContact CG-CZ 3.84Å; M395-F399 PolarHBondContact O-N 2.88Å; V396-F399 PolarHBondContact O-N 2.88Å; R397-F399 VanDerWaalsContact C-N 3.32Å; R397-F399 PolarHBondContact O-N 2.84Å; F399-M401 VanDerWaalsContact C-N 3.25Å; F399-M401 PolarHBondContact O-N 3.06Å; F399-Q402 PolarHBondContact O-N 3.11Å; F399-E403 WeakPolarHBondContact O-CB 3.27Å; F399-E403 PolarHBondContact O-N 2.61Å; F399-L413 HydrophobicContact CD1-CD2 4.15Å; F399-L413 HydrophobicContact CE1-CB 4.4Å; F399-L413 HydrophobicContact CE1-CD2 4.02Å
400V91.1Very high84.6Confident3 Ų358.1 Ų58.12%0.01829%0.29CS..Hα-helixtrans-65.3-30-176.9-60.10000112.4V396 R397 S404 L413 I414 F460 F463V396-V400 WeakPolarHBondContact O-CG2 3.46Å; V396-V400 PolarHBondContact O-N 2.8Å; V396-V400 VanDerWaalsContact O-N 3.1Å; R397-V400 VanDerWaalsContact O-CG2 3.3Å; R397-V400 WeakPolarHBondContact O-CG2 3.45Å; R397-V400 PolarHBondContact O-N 3.03Å; V400-S404 PolarHBondContact O-N 2.84Å; V400-L413 HydrophobicContact CG1-CB 4.32Å; V400-I414 HydrophobicContact CG1-CB 4.38Å; V400-F460 HydrophobicContact CG2-CD2 4.49Å; V400-F460 HydrophobicContact CG2-CE2 3.71Å; V400-F463 HydrophobicContact CB-CE1 4.22Å; V400-F463 HydrophobicContact CB-CZ 4.37Å; V400-F463 HydrophobicContact CG2-CE1 3.8Å; V400-F463 HydrophobicContact CG2-CZ 4.42Å
401M89.4Confident83.8Confident35 Ų3556.1 Ų56.117%0.17228%0.283CS..Hα-helixtrans-70.3-37.2173.2-72.2-172.1-61.200112.2R397 E398 F399 S404 E459 F460 F463R397-M401 WeakPolarHBondContact O-CB 3.39Å; R397-M401 WeakPolarHBondContact O-CE 3.25Å; R397-M401 VanDerWaalsContact O-CG 3.31Å; R397-M401 WeakPolarHBondContact O-CG 3.16Å; R397-M401 PolarHBondContact O-N 2.93Å; R397-M401 VanDerWaalsContact O-N 3.11Å; E398-M401 PolarHBondContact O-N 3.36Å; F399-M401 VanDerWaalsContact C-N 3.25Å; F399-M401 PolarHBondContact O-N 3.06Å; M401-S404 PolarHBondContact O-OG 3.45Å; M401-E459 HydrophobicContact SD-CB 4.25Å; M401-F460 HydrophobicContact CG-CD2 4.01Å; M401-F460 HydrophobicContact SD-CB 3.92Å; M401-F460 HydrophobicContact SD-CD2 4.05Å; M401-F463 HydrophobicContact CG-CB 4.27Å; M401-F463 HydrophobicContact CG-CD1 4.02Å; M401-F463 HydrophobicContact CG-CG 4.06Å
402Q86.8Confident83.8Confident94 Ų9454.8 Ų54.844%0.43928%0.278SS..Hα-helixtrans-69.6-40.3175.4-71.6175.912.300111.9E398 F399 S404 Q405E398-Q402 VanDerWaalsContact O-CG 3.31Å; E398-Q402 WeakPolarHBondContact O-CG 3.44Å; E398-Q402 PolarHBondContact O-N 3.11Å; E398-Q402 VanDerWaalsContact O-N 3.08Å; E398-Q402 PolarHBondContact OE1-NE2 3Å; F399-Q402 PolarHBondContact O-N 3.11Å; Q402-S404 VanDerWaalsContact C-N 3.29Å; Q402-S404 PolarHBondContact O-N 3.22Å; Q402-Q405 WeakPolarHBondContact O-CB 3.4Å; Q402-Q405 PolarHBondContact O-N 2.62Å
403E84.9Confident84Confident10 Ų1053.5 Ų53.55%0.04727%0.271CS..Hα-helixtrans-56.8-41.9176.8-172.5-173.6-140.100111.7F399 Q405 Q406 N407 L412 L413F399-E403 WeakPolarHBondContact O-CB 3.27Å; F399-E403 PolarHBondContact O-N 2.61Å; E403-Q405 PolarHBondContact O-N 2.92Å; E403-Q406 PolarHBondContact O-N 2.94Å; E403-N407 HydrophobicContact CG-CB 4.38Å; E403-N407 PolarHBondContact O-N 3.33Å; E403-L412 HydrophobicContact CB-CD2 4.32Å; E403-L412 HydrophobicContact CG-CD2 3.88Å; E403-L412 WeakPolarHBondContact OE2-CA 3.19Å; E403-L413 PolarHBondContact OE1-N 3.29Å; E403-L413 PolarHBondContact OE2-N 3.02Å
404S81.7Confident84Confident28 Ų2852.7 Ų52.720%0.19627%0.265CS..THydrogen-bonded Turntrans-61.5-16.6178.679.20000116V400 M401 Q402V400-S404 PolarHBondContact O-N 2.84Å; M401-S404 PolarHBondContact O-OG 3.45Å; Q402-S404 VanDerWaalsContact C-N 3.29Å; Q402-S404 PolarHBondContact O-N 3.22Å
405Q79.9Confident84.2Confident163 Ų16351.6 Ų51.676%0.76226%0.257SS*.THydrogen-bonded Turntrans-83.9-17.6175.8-59.4178.715.900112.1Q402 E403Q402-Q405 WeakPolarHBondContact O-CB 3.4Å; Q402-Q405 PolarHBondContact O-N 2.62Å; E403-Q405 PolarHBondContact O-N 2.92Å
406Q74.5Confident84.3Confident160 Ų16052 Ų5275%0.74826%0.26SS*.THydrogen-bonded Turntrans-114.6-31.4-170.9-58.8-176.828.100112.5E403E403-Q406 PolarHBondContact O-N 2.94Å
407N73.9Confident84.3Confident56 Ų5651.9 Ų51.930%0.29926%0.259SS..SBendtrans-115.6156.5-173.4-67-16.8000112.1E403 I411E403-N407 HydrophobicContact CG-CB 4.38Å; E403-N407 PolarHBondContact O-N 3.33Å; N407-I411 HydrophobicContact CB-CB 4.26Å; N407-I411 HydrophobicContact CB-CG2 4.33Å
408D73Confident84.4Confident125 Ų12551.9 Ų51.967%0.66826%0.259SS*.  trans-71.2157169.8-73.5-31.3000110.9D410 I411D408-D410 PolarHBondContact O-N 3.31Å; D408-D410 VanDerWaalsContact O-N 3.11Å; D408-I411 PolarHBondContact O-N 2.82Å
409D72.3Confident84.5Confident48 Ų4849.7 Ų49.726%0.25725%0.249SC..G310 helixtrans-54.1-34.4-176.8-71.45000113.2I411 L412 N415 H467 H470D409-I411 PolarHBondContact O-N 2.88Å; D409-L412 HydrophobicContact CB-CD1 4.49Å; D409-L412 WeakPolarHBondContact O-CG 3.16Å; D409-L412 PolarHBondContact O-N 3.48Å; D409-N415 PolarHBondContact O-ND2 3.18Å; D409-H467 VanDerWaalsContact CG-ND1 3.34Å; D409-H467 IonicContact OD1-CE1 2.58Å; D409-H467 IonicContact OD1-CG 2.66Å; D409-H467 IonicContact OD1-ND1 2.67Å; D409-H467 PolarHBondContact OD1-ND1 3.45Å; D409-H467 IonicContact OD2-ND1 2.87Å; D409-H467 PolarHBondContact OD2-ND1 3.47Å; D409-H470 IonicContact OD2-CE1 3.81Å
410D63.7Low84.5Confident108 Ų10849.3 Ų49.358%0.57825%0.247SC*.G310 helixtrans-69.1-14-177.8-65.2-17.3000113.7D408D408-D410 PolarHBondContact O-N 3.31Å; D408-D410 VanDerWaalsContact O-N 3.11Å
411I75.4Confident84.7Confident75 Ų7549.2 Ų49.239%0.38525%0.247SC..G310 helixtrans-102.5-11.3-175.1-57.5174000111.2E367 N407 D408 D409 L413E367-I411 WeakPolarHBondContact OE1-CG2 3.49Å; N407-I411 HydrophobicContact CB-CB 4.26Å; N407-I411 HydrophobicContact CB-CG2 4.33Å; D408-I411 PolarHBondContact O-N 2.82Å; D409-I411 PolarHBondContact O-N 2.88Å; I411-L413 PolarHBondContact O-N 2.84Å
412L88Confident84.9Confident0 Ų049.5 Ų49.50%025%0.249CC..  trans-62132.6-173.8-57.4175.8000111.7E403 D409 I414 N415 L416 F463 H467E403-L412 HydrophobicContact CB-CD2 4.32Å; E403-L412 HydrophobicContact CG-CD2 3.88Å; E403-L412 WeakPolarHBondContact OE2-CA 3.19Å; D409-L412 HydrophobicContact CB-CD1 4.49Å; D409-L412 WeakPolarHBondContact O-CG 3.16Å; D409-L412 PolarHBondContact O-N 3.48Å; L412-I414 HydrophobicContact CB-CG2 4.3Å; L412-I414 PolarHBondContact O-N 2.96Å; L412-I414 VanDerWaalsContact O-N 3.08Å; L412-N415 HydrophobicContact CB-CB 4.29Å; L412-N415 WeakPolarHBondContact O-CA 3.49Å; L412-N415 WeakPolarHBondContact O-CB 3.44Å; L412-N415 PolarHBondContact O-N 3.37Å; L412-L416 PolarHBondContact O-N 3.01Å; L412-F463 HydrophobicContact CD1-CE2 4.13Å; L412-F463 HydrophobicContact CD1-CZ 4.07Å; L412-H467 HydrophobicContact CD1-CB 3.97Å
413L91.3Very high85Confident0 Ų048.5 Ų48.50%025%0.251CS..Hα-helixtrans-50.5-40.7178.6175.163.2000112.3L363 L366 E367 L370 F385 F399 V400 E403 I411 N415 L416 I417L363-L413 HydrophobicContact CB-CD2 4.46Å; L363-L413 HydrophobicContact CD2-CD2 3.85Å; L366-L413 HydrophobicContact CB-CD1 4.36Å; E367-L413 HydrophobicContact CB-CD1 4.3Å; L370-L413 HydrophobicContact CD1-CD1 3.7Å; F385-L413 HydrophobicContact CE2-CD2 4.38Å; F399-L413 HydrophobicContact CD1-CD2 4.15Å; F399-L413 HydrophobicContact CE1-CB 4.4Å; F399-L413 HydrophobicContact CE1-CD2 4.02Å; V400-L413 HydrophobicContact CG1-CB 4.32Å; E403-L413 PolarHBondContact OE1-N 3.29Å; E403-L413 PolarHBondContact OE2-N 3.02Å; I411-L413 PolarHBondContact O-N 2.84Å; L413-N415 VanDerWaalsContact C-N 3.33Å; L413-N415 PolarHBondContact O-N 3.39Å; L413-L416 WeakPolarHBondContact O-CB 3.42Å; L413-L416 PolarHBondContact O-N 3.22Å; L413-I417 WeakPolarHBondContact O-CG1 3.27Å; L413-I417 PolarHBondContact O-N 3.01Å
414I93.3Very high85.2Confident3 Ų349.2 Ų49.22%0.01526%0.255CS..Hα-helixtrans-68.7-31.3179.3-163.5157.3000113V400 L412 I417 I418 L439 F460 F463 F464 C468V400-I414 HydrophobicContact CG1-CB 4.38Å; L412-I414 HydrophobicContact CB-CG2 4.3Å; L412-I414 PolarHBondContact O-N 2.96Å; L412-I414 VanDerWaalsContact O-N 3.08Å; I414-I417 PolarHBondContact O-N 3.38Å; I414-I418 VanDerWaalsContact O-CG1 3.27Å; I414-I418 WeakPolarHBondContact O-CG1 3.32Å; I414-I418 PolarHBondContact O-N 3.08Å; I414-L439 HydrophobicContact CD1-CD2 4.29Å; I414-L439 HydrophobicContact CG1-CD2 3.91Å; I414-F460 HydrophobicContact CD1-CZ 4.29Å; I414-F463 HydrophobicContact CG2-CE1 4.46Å; I414-F463 HydrophobicContact CG2-CZ 4.45Å; I414-F464 HydrophobicContact CD1-CD2 3.9Å; I414-F464 HydrophobicContact CD1-CE2 3.91Å; I414-F464 HydrophobicContact CG1-CE2 4.36Å; I414-C468 HydrophobicContact CG2-CB 4.35Å; I414-C468 WeakPolarHBondContact CG2-SG 3.5Å
415N92.9Very high85.3Confident2 Ų252.9 Ų52.91%0.01128%0.276CS..Hα-helixtrans-74.4-37.4175.9-76.4-14.3000110.5D409 L412 L413 I417 I418 E419 H467 C468D409-N415 PolarHBondContact O-ND2 3.18Å; L412-N415 HydrophobicContact CB-CB 4.29Å; L412-N415 WeakPolarHBondContact O-CA 3.49Å; L412-N415 WeakPolarHBondContact O-CB 3.44Å; L412-N415 PolarHBondContact O-N 3.37Å; L413-N415 VanDerWaalsContact C-N 3.33Å; L413-N415 PolarHBondContact O-N 3.39Å; N415-I417 VanDerWaalsContact C-N 3.31Å; N415-I417 PolarHBondContact O-N 3.22Å; N415-I418 PolarHBondContact O-N 3.08Å; N415-I418 VanDerWaalsContact O-N 3.16Å; N415-E419 WeakPolarHBondContact O-CB 3.46Å; N415-E419 WeakPolarHBondContact O-CG 3.27Å; N415-E419 PolarHBondContact O-N 3.27Å; N415-H467 PolarHBondContact ND2-O 3.39Å; N415-H467 VanDerWaalsContact ND2-O 3.08Å; N415-C468 VanDerWaalsContact OD1-CA 3.31Å; N415-C468 WeakPolarHBondContact OD1-CA 3.41Å; N415-C468 WeakPolarHBondContact OD1-CB 3.45Å
416L91.5Very high85.6Confident25 Ų2548.2 Ų48.213%0.13126%0.257CS..Hα-helixtrans-57.1-44.5169.1-64.5174.7000111.4E367 L412 L413 I418 E419 H420E367-L416 HydrophobicContact CG-CD1 3.83Å; L412-L416 PolarHBondContact O-N 3.01Å; L413-L416 WeakPolarHBondContact O-CB 3.42Å; L413-L416 PolarHBondContact O-N 3.22Å; L416-I418 PolarHBondContact O-N 3.16Å; L416-E419 PolarHBondContact O-N 3.31Å; L416-H420 WeakPolarHBondContact O-CB 3.33Å; L416-H420 PolarHBondContact O-CD2 3.02Å; L416-H420 PolarHBondContact O-N 3.45Å
417I94Very high85.9Confident0 Ų045.6 Ų45.60%025%0.254CS..Hα-helixtrans-61-43175.3-69.4-67.2000112.1L370 F385 L413 I414 N415 H420 M421 L435 L439L370-I417 HydrophobicContact CD1-CD1 3.59Å; L370-I417 HydrophobicContact CD1-CG1 4.26Å; L370-I417 HydrophobicContact CD2-CD1 4.42Å; F385-I417 HydrophobicContact CD1-CD1 3.72Å; F385-I417 HydrophobicContact CD1-CG1 4.3Å; F385-I417 HydrophobicContact CE1-CD1 3.85Å; F385-I417 HydrophobicContact CE1-CG1 3.91Å; F385-I417 HydrophobicContact CE1-CG2 4.21Å; F385-I417 HydrophobicContact CG-CD1 4.15Å; F385-I417 HydrophobicContact CZ-CD1 4.36Å; F385-I417 HydrophobicContact CZ-CG1 4.06Å; L413-I417 WeakPolarHBondContact O-CG1 3.27Å; L413-I417 PolarHBondContact O-N 3.01Å; I414-I417 PolarHBondContact O-N 3.38Å; N415-I417 VanDerWaalsContact C-N 3.31Å; N415-I417 PolarHBondContact O-N 3.22Å; I417-H420 PolarHBondContact O-N 3.04Å; I417-M421 PolarHBondContact O-N 2.89Å; I417-L435 HydrophobicContact CD1-CD2 3.98Å; I417-L435 HydrophobicContact CG2-CD2 4.07Å; I417-L439 HydrophobicContact CG2-CD1 4.31Å; I417-L439 HydrophobicContact CG2-CD2 3.88Å; I417-L439 HydrophobicContact CG2-CG 3.99Å
418I95.1Very high86.5Confident0 Ų050.3 Ų50.30%027%0.274CS..Hα-helixtrans-64.7-43.6176.4-69.2163.3000110.6I414 N415 L416 H420 M421 I422 L439 F464 C468 V471 L472I414-I418 VanDerWaalsContact O-CG1 3.27Å; I414-I418 WeakPolarHBondContact O-CG1 3.32Å; I414-I418 PolarHBondContact O-N 3.08Å; N415-I418 PolarHBondContact O-N 3.08Å; N415-I418 VanDerWaalsContact O-N 3.16Å; L416-I418 PolarHBondContact O-N 3.16Å; I418-H420 VanDerWaalsContact C-N 3.34Å; I418-H420 PolarHBondContact O-N 3.37Å; I418-M421 WeakPolarHBondContact O-CB 3.47Å; I418-M421 PolarHBondContact O-N 3.33Å; I418-I422 HydrophobicContact CG2-CD1 3.71Å; I418-I422 HydrophobicContact CG2-CG1 4.46Å; I418-I422 VanDerWaalsContact O-CG1 3.25Å; I418-I422 WeakPolarHBondContact O-CG1 3.43Å; I418-I422 PolarHBondContact O-N 3.45Å; I418-L439 HydrophobicContact CG1-CD1 3.78Å; I418-L439 HydrophobicContact CG1-CD2 4.07Å; I418-F464 HydrophobicContact CD1-CE2 4.21Å; I418-F464 HydrophobicContact CD1-CZ 4.35Å; I418-C468 HydrophobicContact CD1-CB 4.02Å; I418-V471 HydrophobicContact CB-CG1 4.41Å; I418-V471 HydrophobicContact CG2-CB 4.32Å; I418-V471 HydrophobicContact CG2-CG1 3.82Å; I418-L472 HydrophobicContact CD1-CB 4.36Å; I418-L472 HydrophobicContact CG2-CB 4.19Å; I418-L472 HydrophobicContact CG2-CD1 4.37Å
419E91.8Very high87.2Confident70 Ų7044.5 Ų44.533%0.32724%0.243SC..Hα-helixtrans-63.1-40.7177.5-74.5-174.917500112N415 L416 M421 I422 C423 V471N415-E419 WeakPolarHBondContact O-CB 3.46Å; N415-E419 WeakPolarHBondContact O-CG 3.27Å; N415-E419 PolarHBondContact O-N 3.27Å; L416-E419 PolarHBondContact O-N 3.31Å; E419-M421 VanDerWaalsContact C-N 3.33Å; E419-M421 PolarHBondContact O-N 3.25Å; E419-I422 PolarHBondContact O-N 3.16Å; E419-I422 VanDerWaalsContact O-N 3.14Å; E419-C423 VanDerWaalsContact O-CB 3.31Å; E419-C423 WeakPolarHBondContact O-CB 3.32Å; E419-C423 PolarHBondContact O-N 3.4Å; E419-C423 PolarHBondContact O-SG 3.04Å; E419-C423 VanDerWaalsContact O-SG 3.35Å; E419-V471 HydrophobicContact CG-CG1 4.23Å
420H90.8Very high88Confident30 Ų3044.1 Ų44.114%0.13925%0.25CC..Hα-helixtrans-62.2-41.3174.9-79.7-142000111.9L370 R378 L416 I417 I418 I422 C423 D424 L435L370-H420 PolarHBondContact O-CE1 2.75Å; L370-H420 PolarHBondContact O-NE2 3.02Å; R378-H420 WeakPolarHBondContact CD-CE1 3.4Å; L416-H420 WeakPolarHBondContact O-CB 3.33Å; L416-H420 PolarHBondContact O-CD2 3.02Å; L416-H420 PolarHBondContact O-N 3.45Å; I417-H420 PolarHBondContact O-N 3.04Å; I418-H420 VanDerWaalsContact C-N 3.34Å; I418-H420 PolarHBondContact O-N 3.37Å; H420-I422 VanDerWaalsContact C-N 3.32Å; H420-I422 PolarHBondContact O-N 3.46Å; H420-C423 PolarHBondContact O-N 3.13Å; H420-D424 PolarHBondContact O-N 3.01Å; H420-D424 VanDerWaalsContact O-N 3.17Å; H420-L435 HydrophobicContact CB-CD1 3.86Å
421M94.2Very high89.2Confident1 Ų140.1 Ų40.11%0.00523%0.234CC..Hα-helixtrans-62.3-39.7173.3-177.7-165.269.400111.5I417 I418 E419 A432 L435 M436 L439 L472 I499I417-M421 PolarHBondContact O-N 2.89Å; I418-M421 WeakPolarHBondContact O-CB 3.47Å; I418-M421 PolarHBondContact O-N 3.33Å; E419-M421 VanDerWaalsContact C-N 3.33Å; E419-M421 PolarHBondContact O-N 3.25Å; M421-A432 HydrophobicContact CG-CB 3.79Å; M421-A432 VanDerWaalsContact O-CB 3.28Å; M421-A432 WeakPolarHBondContact O-CB 3.38Å; M421-L435 HydrophobicContact CB-CB 4.03Å; M421-L435 HydrophobicContact CB-CD1 4.15Å; M421-L435 HydrophobicContact CG-CB 4.35Å; M421-M436 HydrophobicContact SD-CB 3.88Å; M421-L439 HydrophobicContact CE-CD1 4.5Å; M421-L439 HydrophobicContact SD-CD1 4.01Å; M421-L472 HydrophobicContact CE-CD1 3.64Å; M421-I499 HydrophobicContact CE-CG1 4.35Å
422I93.4Very high90Very high42 Ų4236.5 Ų36.522%0.21522%0.216CC..Hα-helixtrans-72.4-35.9-179.4-69.1166.5000111.8I418 E419 H420 P475 L495I418-I422 HydrophobicContact CG2-CD1 3.71Å; I418-I422 HydrophobicContact CG2-CG1 4.46Å; I418-I422 VanDerWaalsContact O-CG1 3.25Å; I418-I422 WeakPolarHBondContact O-CG1 3.43Å; I418-I422 PolarHBondContact O-N 3.45Å; E419-I422 PolarHBondContact O-N 3.16Å; E419-I422 VanDerWaalsContact O-N 3.14Å; H420-I422 VanDerWaalsContact C-N 3.32Å; H420-I422 PolarHBondContact O-N 3.46Å; I422-P475 HydrophobicContact CB-CG 4.5Å; I422-P475 HydrophobicContact CD1-CG 3.61Å; I422-P475 HydrophobicContact CG1-CG 3.85Å; I422-P475 HydrophobicContact CG2-CG 3.8Å; I422-L495 HydrophobicContact CG2-CD2 4.19Å
423C90.1Very high90.3Very high72 Ų7239.7 Ų39.749%0.48624%0.235SC..THydrogen-bonded Turntrans-96.712-174.3-62.50000113.8E419 H420 T425E419-C423 VanDerWaalsContact O-CB 3.31Å; E419-C423 WeakPolarHBondContact O-CB 3.32Å; E419-C423 PolarHBondContact O-N 3.4Å; E419-C423 PolarHBondContact O-SG 3.04Å; E419-C423 VanDerWaalsContact O-SG 3.35Å; H420-C423 PolarHBondContact O-N 3.13Å; C423-T425 PolarHBondContact O-N 3.37Å
424D88.8Confident90.5Very high25 Ų2543.1 Ų43.113%0.13425%0.251CS..  trans-56.2123.2-179.6-173.54.2000111.1H420 D426 L429 G431 A432 Q491H420-D424 PolarHBondContact O-N 3.01Å; H420-D424 VanDerWaalsContact O-N 3.17Å; D424-D426 VanDerWaalsContact OD1-CB 3.29Å; D424-D426 WeakPolarHBondContact OD1-CB 3.3Å; D424-D426 PolarHBondContact OD1-N 3.08Å; D424-L429 HydrophobicContact CB-CD2 3.84Å; D424-L429 VanDerWaalsContact OD2-C 3.31Å; D424-L429 WeakPolarHBondContact OD2-CA 3.16Å; D424-G431 WeakPolarHBondContact OD2-CA 3.33Å; D424-G431 PolarHBondContact OD2-N 3.28Å; D424-G431 VanDerWaalsContact OD2-N 3.1Å; D424-A432 HydrophobicContact CB-CB 3.88Å; D424-A432 PolarHBondContact OD2-N 2.88Å; D424-Q491 PolarHBondContact O-NE2 3.07Å; D424-Q491 VanDerWaalsContact O-NE2 3.16Å
425T84.1Confident90.6Very high105 Ų10543.3 Ų43.364%0.64425%0.252SS*.  trans-86.4-10.8-178.653.40000112.8C423C423-T425 PolarHBondContact O-N 3.37Å
426D85.1Confident90.7Very high66 Ų6644 Ų4435%0.35326%0.255SS..  trans-63.8127.3177.9-170.8-72.5000110.8D424 E428 L429D424-D426 VanDerWaalsContact OD1-CB 3.29Å; D424-D426 WeakPolarHBondContact OD1-CB 3.3Å; D424-D426 PolarHBondContact OD1-N 3.08Å; D426-E428 PolarHBondContact O-N 2.94Å; D426-E428 VanDerWaalsContact OD1-CA 3.29Å; D426-E428 WeakPolarHBondContact OD1-CA 3.43Å; D426-E428 WeakPolarHBondContact OD1-CB 3.39Å; D426-E428 PolarHBondContact OD1-N 3.23Å; D426-L429 PolarHBondContact O-N 3.23Å; D426-L429 PolarHBondContact OD1-N 3.23Å
427P82.1Confident90.9Very high105 Ų10544.2 Ų44.268%0.68226%0.263SS*.THydrogen-bonded Turntrans-59.9-28179.7-25.434.9000114.7
428E85.2Confident91Very high155 Ų15545.1 Ų45.172%0.72427%0.268SS*.THydrogen-bonded Turntrans-93.8-2.7176.9-57.5-168.7165.900112.5D426 G430 Q494D426-E428 PolarHBondContact O-N 2.94Å; D426-E428 VanDerWaalsContact OD1-CA 3.29Å; D426-E428 WeakPolarHBondContact OD1-CA 3.43Å; D426-E428 WeakPolarHBondContact OD1-CB 3.39Å; D426-E428 PolarHBondContact OD1-N 3.23Å; E428-G430 PolarHBondContact O-N 3.41Å; E428-Q494 PolarHBondContact O-NE2 3.11Å
429L87.4Confident91.1Very high3 Ų345.1 Ų45.12%0.01627%0.268CS..  trans56.234.8-175.6-68.4178.5000112.9D424 D426 G431 A432 V433 Q491 Q494 L495D424-L429 HydrophobicContact CB-CD2 3.84Å; D424-L429 VanDerWaalsContact OD2-C 3.31Å; D424-L429 WeakPolarHBondContact OD2-CA 3.16Å; D426-L429 PolarHBondContact O-N 3.23Å; D426-L429 PolarHBondContact OD1-N 3.23Å; L429-G431 VanDerWaalsContact C-N 3.32Å; L429-G431 PolarHBondContact O-N 3.43Å; L429-A432 HydrophobicContact CB-CB 4.11Å; L429-A432 HydrophobicContact CD2-CB 4.29Å; L429-A432 PolarHBondContact O-N 3Å; L429-V433 VanDerWaalsContact O-CG2 3.32Å; L429-V433 WeakPolarHBondContact O-CG2 3.5Å; L429-V433 PolarHBondContact O-N 2.65Å; L429-Q491 HydrophobicContact CD1-CG 4.46Å; L429-Q491 HydrophobicContact CD2-CG 4.2Å; L429-Q491 HydrophobicContact CG-CG 4.38Å; L429-Q494 HydrophobicContact CD1-CB 3.75Å; L429-Q494 HydrophobicContact CD1-CG 3.8Å; L429-L495 HydrophobicContact CD1-CB 4.14Å
430G89Confident91.3Very high39 Ų3946.1 Ų46.140%0.40227%0.269SS..Hα-helixtrans-56.7-44-17800000113E428 V433 Q434E428-G430 PolarHBondContact O-N 3.41Å; G430-V433 PolarHBondContact O-N 3.34Å; G430-Q434 PolarHBondContact O-N 3.31Å; G430-Q434 VanDerWaalsContact O-N 3.15Å
431G89.9Confident91.6Very high24 Ų2447.1 Ų47.125%0.24728%0.278CS..Hα-helixtrans-66.7-42.9177.500000112.1D424 L429 V433 Q434 L435D424-G431 WeakPolarHBondContact OD2-CA 3.33Å; D424-G431 PolarHBondContact OD2-N 3.28Å; D424-G431 VanDerWaalsContact OD2-N 3.1Å; L429-G431 VanDerWaalsContact C-N 3.32Å; L429-G431 PolarHBondContact O-N 3.43Å; G431-V433 VanDerWaalsContact C-N 3.32Å; G431-V433 PolarHBondContact O-N 3.13Å; G431-Q434 WeakPolarHBondContact O-CB 3.43Å; G431-Q434 PolarHBondContact O-N 3.37Å; G431-L435 VanDerWaalsContact O-CG 3.32Å; G431-L435 WeakPolarHBondContact O-CG 3.48Å; G431-L435 PolarHBondContact O-N 3.07Å
432A92.8Very high91.6Very high0 Ų047.2 Ų47.20%028%0.278CS..Hα-helixtrans-63.3-37.2176.900000112.3M421 D424 L429 M436 L498M421-A432 HydrophobicContact CG-CB 3.79Å; M421-A432 VanDerWaalsContact O-CB 3.28Å; M421-A432 WeakPolarHBondContact O-CB 3.38Å; D424-A432 HydrophobicContact CB-CB 3.88Å; D424-A432 PolarHBondContact OD2-N 2.88Å; L429-A432 HydrophobicContact CB-CB 4.11Å; L429-A432 HydrophobicContact CD2-CB 4.29Å; L429-A432 PolarHBondContact O-N 3Å; A432-M436 WeakPolarHBondContact O-CB 3.32Å; A432-M436 PolarHBondContact O-N 3.24Å; A432-L498 HydrophobicContact CB-CD1 4.04Å
433V94.3Very high91.7Very high66 Ų6645.2 Ų45.240%0.427%0.268SS..Hα-helixtrans-63.6-44174.4171.80000110.9L429 G430 G431 G437 L498L429-V433 VanDerWaalsContact O-CG2 3.32Å; L429-V433 WeakPolarHBondContact O-CG2 3.5Å; L429-V433 PolarHBondContact O-N 2.65Å; G430-V433 PolarHBondContact O-N 3.34Å; G431-V433 VanDerWaalsContact C-N 3.32Å; G431-V433 PolarHBondContact O-N 3.13Å; V433-G437 PolarHBondContact O-N 3.33Å; V433-G437 VanDerWaalsContact O-N 3.07Å; V433-L498 HydrophobicContact CG2-CD1 4.09Å; V433-L498 HydrophobicContact CG2-CD2 3.98Å
434Q94Very high91.9Very high73 Ų7343.5 Ų43.534%0.34125%0.254SS..Hα-helixtrans-61.4-52.3176.2-173.5-179.38.600110.8T382 D383 G430 G431 M436 G437 L438T382-Q434 HydrophobicContact CG2-CG 4.36Å; D383-Q434 PolarHBondContact OD1-NE2 3.06Å; G430-Q434 PolarHBondContact O-N 3.31Å; G430-Q434 VanDerWaalsContact O-N 3.15Å; G431-Q434 WeakPolarHBondContact O-CB 3.43Å; G431-Q434 PolarHBondContact O-N 3.37Å; Q434-M436 VanDerWaalsContact C-N 3.33Å; Q434-M436 PolarHBondContact O-N 2.84Å; Q434-G437 WeakPolarHBondContact O-CA 3.45Å; Q434-G437 PolarHBondContact O-N 3.3Å; Q434-L438 WeakPolarHBondContact O-CG 3.34Å; Q434-L438 PolarHBondContact O-N 3.18Å
435L95.4Very high92Very high6 Ų643 Ų433%0.03125%0.252CS..Hα-helixtrans-61.5-38.8180-66.9166.3000112.1T382 I417 H420 M421 G431 G437 L438 L439T382-L435 HydrophobicContact CG2-CD2 3.59Å; T382-L435 HydrophobicContact CG2-CG 4.06Å; I417-L435 HydrophobicContact CD1-CD2 3.98Å; I417-L435 HydrophobicContact CG2-CD2 4.07Å; H420-L435 HydrophobicContact CB-CD1 3.86Å; M421-L435 HydrophobicContact CB-CB 4.03Å; M421-L435 HydrophobicContact CB-CD1 4.15Å; M421-L435 HydrophobicContact CG-CB 4.35Å; G431-L435 VanDerWaalsContact O-CG 3.32Å; G431-L435 WeakPolarHBondContact O-CG 3.48Å; G431-L435 PolarHBondContact O-N 3.07Å; L435-G437 VanDerWaalsContact C-N 3.32Å; L435-G437 PolarHBondContact O-N 3.29Å; L435-L438 PolarHBondContact O-N 2.89Å; L435-L439 WeakPolarHBondContact O-CG 3.37Å; L435-L439 PolarHBondContact O-N 3.4Å
436M95.8Very high92.2Very high17 Ų1745.7 Ų45.78%0.08426%0.257CS..Hα-helixtrans-59.4-43172.6-178.7-79.4-67.100111.4M421 A432 Q434 L438 L439 R440 L498M421-M436 HydrophobicContact SD-CB 3.88Å; A432-M436 WeakPolarHBondContact O-CB 3.32Å; A432-M436 PolarHBondContact O-N 3.24Å; Q434-M436 VanDerWaalsContact C-N 3.33Å; Q434-M436 PolarHBondContact O-N 2.84Å; M436-L438 VanDerWaalsContact C-N 3.34Å; M436-L438 PolarHBondContact O-N 3.32Å; M436-L439 PolarHBondContact O-N 2.87Å; M436-R440 WeakPolarHBondContact O-CB 3.49Å; M436-R440 PolarHBondContact O-N 3.4Å; M436-L498 HydrophobicContact CE-CD2 3.99Å; M436-L498 HydrophobicContact CG-CB 4.49Å
437G96.2Very high92.3Very high29 Ų2945 Ų4530%0.29925%0.253SS..Hα-helixtrans-60.1-41.9174.600000112.7V433 Q434 L435 R440 T441V433-G437 PolarHBondContact O-N 3.33Å; V433-G437 VanDerWaalsContact O-N 3.07Å; Q434-G437 WeakPolarHBondContact O-CA 3.45Å; Q434-G437 PolarHBondContact O-N 3.3Å; L435-G437 VanDerWaalsContact C-N 3.32Å; L435-G437 PolarHBondContact O-N 3.29Å; G437-R440 PolarHBondContact O-N 2.87Å; G437-T441 PolarHBondContact O-N 3.47Å; G437-T441 PolarHBondContact O-OG1 3.21Å; G437-T441 VanDerWaalsContact O-OG1 3.11Å
438L96.2Very high92.6Very high19 Ų1940.6 Ų40.610%0.09922%0.224CC..Hα-helixtrans-67-45.4176.8-58.7-178.3000111.9F385 V389 Q434 L435 M436 R440 T441 L442F385-L438 HydrophobicContact CD1-CB 4.49Å; F385-L438 HydrophobicContact CD1-CD1 3.61Å; F385-L438 HydrophobicContact CE1-CB 4.24Å; F385-L438 HydrophobicContact CE1-CD1 4.2Å; V389-L438 HydrophobicContact CB-CD2 4.21Å; V389-L438 HydrophobicContact CG1-CB 4.38Å; V389-L438 HydrophobicContact CG1-CD2 4.22Å; Q434-L438 WeakPolarHBondContact O-CG 3.34Å; Q434-L438 PolarHBondContact O-N 3.18Å; L435-L438 PolarHBondContact O-N 2.89Å; M436-L438 VanDerWaalsContact C-N 3.34Å; M436-L438 PolarHBondContact O-N 3.32Å; L438-R440 VanDerWaalsContact C-N 3.29Å; L438-R440 PolarHBondContact O-N 3.19Å; L438-T441 PolarHBondContact O-N 3.44Å; L438-L442 PolarHBondContact O-N 3.48Å
439L96.9Very high91.9Very high1 Ų138.9 Ų38.91%0.00522%0.219CC..Hα-helixtrans-59.2-41.6174.7-73.5172000111.4I414 I417 I418 M421 L435 M436 L442 L443 L502I414-L439 HydrophobicContact CD1-CD2 4.29Å; I414-L439 HydrophobicContact CG1-CD2 3.91Å; I417-L439 HydrophobicContact CG2-CD1 4.31Å; I417-L439 HydrophobicContact CG2-CD2 3.88Å; I417-L439 HydrophobicContact CG2-CG 3.99Å; I418-L439 HydrophobicContact CG1-CD1 3.78Å; I418-L439 HydrophobicContact CG1-CD2 4.07Å; M421-L439 HydrophobicContact CE-CD1 4.5Å; M421-L439 HydrophobicContact SD-CD1 4.01Å; L435-L439 WeakPolarHBondContact O-CG 3.37Å; L435-L439 PolarHBondContact O-N 3.4Å; M436-L439 PolarHBondContact O-N 2.87Å; L439-L442 PolarHBondContact O-N 3.42Å; L439-L443 VanDerWaalsContact O-CB 3.31Å; L439-L443 WeakPolarHBondContact O-CB 3.45Å; L439-L443 WeakPolarHBondContact O-CG 3.29Å; L439-L443 PolarHBondContact O-N 3.3Å; L439-L502 HydrophobicContact CB-CD2 4.25Å
440R96.6Very high90.4Very high90 Ų9043.2 Ų43.234%0.3426%0.256SS..Hα-helixtrans-60.8-45.6175.5-175.7178.8179.7153.5-1111.7M436 G437 L438 L442 L443 D444 E501 L502 F505M436-R440 WeakPolarHBondContact O-CB 3.49Å; M436-R440 PolarHBondContact O-N 3.4Å; G437-R440 PolarHBondContact O-N 2.87Å; L438-R440 VanDerWaalsContact C-N 3.29Å; L438-R440 PolarHBondContact O-N 3.19Å; R440-L442 VanDerWaalsContact C-N 3.32Å; R440-L442 PolarHBondContact O-N 2.86Å; R440-L443 CarbonylContact O-C 3.15Å; R440-L443 PolarHBondContact O-N 3.03Å; R440-L443 VanDerWaalsContact O-N 3.17Å; R440-D444 PolarHBondContact O-N 2.96Å; R440-E501 IonicContact NH1-OE1 3.65Å; R440-L502 HydrophobicContact CB-CD1 3.96Å; R440-L502 HydrophobicContact CG-CD1 4.37Å; R440-F505 HydrophobicContact CG-CD1 4.16Å; R440-F505 HydrophobicContact CG-CD2 4.35Å; R440-F505 HydrophobicContact CG-CE1 4.12Å; R440-F505 HydrophobicContact CG-CE2 4.31Å; R440-F505 HydrophobicContact CG-CG 4.26Å; R440-F505 HydrophobicContact CG-CZ 4.19Å
441T96.1Very high88.8Confident52 Ų5245 Ų4532%0.31926%0.258SS..Hα-helixtrans-60.6-41.6176.1-60.10000111.5V389 R397 G437 L438 L443 D444 N447V389-T441 HydrophobicContact CG1-CG2 3.74Å; R397-T441 PolarHBondContact NH2-O 3.48Å; G437-T441 PolarHBondContact O-N 3.47Å; G437-T441 PolarHBondContact O-OG1 3.21Å; G437-T441 VanDerWaalsContact O-OG1 3.11Å; L438-T441 PolarHBondContact O-N 3.44Å; T441-L443 VanDerWaalsContact C-N 3.31Å; T441-L443 PolarHBondContact O-N 3.41Å; T441-D444 PolarHBondContact O-N 3.2Å; T441-N447 PolarHBondContact O-ND2 3.45Å; T441-N447 PolarHBondContact O-OD1 3.09Å
442L95.3Very high86.9Confident2 Ų249.1 Ų49.11%0.0129%0.29CS..Hα-helixtrans-67.6-31175.9-71.5175.5000113F385 V389 P393 V396 R397 L438 L439 R440 M448 F460F385-L442 HydrophobicContact CE1-CD1 4.34Å; F385-L442 HydrophobicContact CZ-CD1 3.81Å; V389-L442 HydrophobicContact CG1-CD2 4.1Å; V389-L442 HydrophobicContact CG1-CG 3.93Å; V389-L442 HydrophobicContact CG2-CD1 4.01Å; V389-L442 HydrophobicContact CG2-CD2 4.07Å; V389-L442 HydrophobicContact CG2-CG 4.05Å; P393-L442 HydrophobicContact CB-CD2 4.09Å; V396-L442 HydrophobicContact CB-CD2 3.99Å; V396-L442 HydrophobicContact CG1-CD1 4.12Å; V396-L442 HydrophobicContact CG1-CD2 4.01Å; R397-L442 HydrophobicContact CG-CD2 4.37Å; R397-L442 VanDerWaalsContact CZ-O 3.31Å; R397-L442 PolarHBondContact NE-O 3.44Å; R397-L442 PolarHBondContact NH2-O 3.27Å; L438-L442 PolarHBondContact O-N 3.48Å; L439-L442 PolarHBondContact O-N 3.42Å; R440-L442 VanDerWaalsContact C-N 3.32Å; R440-L442 PolarHBondContact O-N 2.86Å; L442-M448 WeakPolarHBondContact O-CE 3.35Å; L442-F460 WeakPolarHBondContact O-CE1 3.47Å
443L95.2Very high84.8Confident1 Ų154.6 Ų54.61%0.00532%0.32CS..Hα-helixtrans-85.8-13.1179.5-71.9170.8000113.9L439 R440 T441 P445 F460 F464 L502 F505 H510L439-L443 VanDerWaalsContact O-CB 3.31Å; L439-L443 WeakPolarHBondContact O-CB 3.45Å; L439-L443 WeakPolarHBondContact O-CG 3.29Å; L439-L443 PolarHBondContact O-N 3.3Å; R440-L443 CarbonylContact O-C 3.15Å; R440-L443 PolarHBondContact O-N 3.03Å; R440-L443 VanDerWaalsContact O-N 3.17Å; T441-L443 VanDerWaalsContact C-N 3.31Å; T441-L443 PolarHBondContact O-N 3.41Å; L443-P445 WeakPolarHBondContact O-CD 3.43Å; L443-F460 HydrophobicContact CD2-CE1 4.23Å; L443-F464 HydrophobicContact CD1-CE1 3.97Å; L443-F464 HydrophobicContact CD1-CE2 4.2Å; L443-F464 HydrophobicContact CD1-CZ 3.74Å; L443-F464 HydrophobicContact CD2-CB 4.22Å; L443-F464 HydrophobicContact CD2-CD1 3.56Å; L443-F464 HydrophobicContact CD2-CD2 3.66Å; L443-F464 HydrophobicContact CD2-CE1 3.74Å; L443-F464 HydrophobicContact CD2-CE2 3.83Å; L443-F464 HydrophobicContact CD2-CG 3.52Å; L443-F464 HydrophobicContact CD2-CZ 3.87Å; L443-F464 HydrophobicContact CG-CE2 4.37Å; L443-F464 HydrophobicContact CG-CZ 4.32Å; L443-L502 HydrophobicContact CD1-CD1 4.03Å; L443-L502 HydrophobicContact CD1-CD2 4.12Å; L443-L502 HydrophobicContact CD1-CG 4.27Å; L443-F505 HydrophobicContact CB-CE1 4.35Å; L443-H510 PolarHBondContact O-NE2 3.46Å; L443-H510 VanDerWaalsContact O-NE2 3.08Å
444D94Very high83Confident35 Ų3558.6 Ų58.619%0.18733%0.332CS..  trans-67.8115.5-174.8-164.8-20.3000112.4R397 R440 T441 E446 N447 F505R397-D444 PolarHBondContact NH2-O 2.93Å; R440-D444 PolarHBondContact O-N 2.96Å; T441-D444 PolarHBondContact O-N 3.2Å; D444-E446 PolarHBondContact O-N 2.99Å; D444-E446 WeakPolarHBondContact OD1-CB 3.44Å; D444-E446 PolarHBondContact OD1-N 2.91Å; D444-N447 PolarHBondContact O-N 3.16Å; D444-N447 PolarHBondContact O-OD1 3.09Å; D444-F505 HydrophobicContact CB-CZ 3.96Å
445P90.3Very high81.8Confident16 Ų1657.9 Ų57.910%0.10433%0.333CS..G310 helixtrans-67.7-16.1177.4-20.235.3000114.2L443 M448 K457 L461 H509L443-P445 WeakPolarHBondContact O-CD 3.43Å; P445-M448 HydrophobicContact CB-SD 4.46Å; P445-K457 HydrophobicContact CB-CD 3.95Å; P445-K457 HydrophobicContact CB-CG 4.4Å; P445-L461 HydrophobicContact CG-CD1 4.47Å; P445-H509 HydrophobicContact CG-CB 4.03Å
446E88Confident81.1Confident161 Ų16158.8 Ų58.875%0.75234%0.337SS*.G310 helixtrans-73.7-25.9-179.4-63.5-165155.800113D444D444-E446 PolarHBondContact O-N 2.99Å; D444-E446 WeakPolarHBondContact OD1-CB 3.44Å; D444-E446 PolarHBondContact OD1-N 2.91Å
447N88.4Confident80.6Confident51 Ų5161.6 Ų61.627%0.27335%0.348SS..G310 helixtrans-102.18.7176.472.512.8000112.8R397 T441 D444R397-N447 PolarHBondContact NH1-O 2.83Å; R397-N447 PolarHBondContact NH1-OD1 2.83Å; R397-N447 PolarHBondContact NH2-OD1 2.99Å; T441-N447 PolarHBondContact O-ND2 3.45Å; T441-N447 PolarHBondContact O-OD1 3.09Å; D444-N447 PolarHBondContact O-N 3.16Å; D444-N447 PolarHBondContact O-OD1 3.09Å
448M88.4Confident80.1Confident13 Ų1363.2 Ų63.26%0.06435%0.352CS..SBendtrans-84.2116.4168.4-68.3170.7-168.800107.6L442 P445 A450 K457 F460 L461L442-M448 WeakPolarHBondContact O-CE 3.35Å; P445-M448 HydrophobicContact CB-SD 4.46Å; M448-A450 PolarHBondContact O-N 3.18Å; M448-K457 HydrophobicContact CB-CB 4.25Å; M448-K457 HydrophobicContact SD-CB 3.98Å; M448-K457 HydrophobicContact SD-CG 3.98Å; M448-F460 HydrophobicContact CE-CD1 3.57Å; M448-F460 HydrophobicContact CE-CE1 4.09Å; M448-L461 HydrophobicContact CE-CD2 4.2Å
449L69.9Low79.8Confident118 Ų11867.1 Ų67.162%0.61837%0.37SS*.  trans-62.8129.2-173.7-73.4169.1000109.2T451 E456L449-T451 PolarHBondContact O-N 3.16Å; L449-E456 PolarHBondContact N-OE2 3.39Å
450A56.7Low79.5Confident95 Ų9567.1 Ų67.179%0.78537%0.37SS*.  trans-7178.4161.700000107.8M448M448-A450 PolarHBondContact O-N 3.18Å
451T54.1Low79.4Confident75 Ų7562.8 Ų62.846%0.4635%0.354SS..  trans-58.7158.5164.88.50000108.4L449 N453L449-T451 PolarHBondContact O-N 3.16Å; T451-N453 CarbonylContact C-O 3.57Å; T451-N453 CarbonylContact O-C 3.59Å; T451-N453 PolarHBondContact O-N 3.02Å; T451-N453 PolarHBondContact OG1-O 3.31Å
452A50Low79.2Confident111 Ų11162.3 Ų62.392%0.91735%0.353SS*.SBendtrans-52.4-22.2178.200000112.8
453N50.1Low79.1Confident116 Ų11662.9 Ų62.962%0.6236%0.355SS*.SBendtrans-101.8112.8162-57.8-18.5000107.9T451 T455T451-N453 CarbonylContact C-O 3.57Å; T451-N453 CarbonylContact O-C 3.59Å; T451-N453 PolarHBondContact O-N 3.02Å; T451-N453 PolarHBondContact OG1-O 3.31Å; N453-T455 HydrophobicContact CB-CG2 4.12Å; N453-T455 PolarHBondContact O-N 2.9Å
454K55.8Low79.1Confident149 Ų14962.9 Ų62.965%0.64836%0.355SS*.THydrogen-bonded Turntrans-65.632.7178.7-64.4171.6176.2171.20114.3
455T68.8Low79.2Confident59 Ų5962.4 Ų62.436%0.36235%0.351SS..Hα-helixtrans-89.1-34.5-166.1570000113.5N453 K457 T458 E459N453-T455 HydrophobicContact CB-CG2 4.12Å; N453-T455 PolarHBondContact O-N 2.9Å; T455-K457 VanDerWaalsContact C-N 3.33Å; T455-K457 PolarHBondContact O-N 3.04Å; T455-T458 PolarHBondContact O-N 3.18Å; T455-T458 VanDerWaalsContact O-N 3.08Å; T455-E459 WeakPolarHBondContact CB-OE1 3.37Å; T455-E459 VanDerWaalsContact O-CB 3.3Å; T455-E459 WeakPolarHBondContact O-CB 3.23Å; T455-E459 VanDerWaalsContact O-CG 3.27Å; T455-E459 WeakPolarHBondContact O-CG 3.24Å; T455-E459 PolarHBondContact O-N 3.11Å
456E79.6Confident79.3Confident25 Ų2568.7 Ų68.712%0.11738%0.376CS..Hα-helixtrans-52.1-48.2-175.8-172.5-172.1176.500112.3S394 R397 L449 T458 F460S394-E456 WeakPolarHBondContact CB-OE1 3.48Å; S394-E456 PolarHBondContact OG-OE1 3.43Å; R397-E456 IonicContact NH1-OE1 3.75Å; L449-E456 PolarHBondContact N-OE2 3.39Å; E456-T458 PolarHBondContact O-N 2.9Å; E456-F460 VanDerWaalsContact O-CB 3.23Å; E456-F460 WeakPolarHBondContact O-CB 3.5Å; E456-F460 PolarHBondContact O-N 3.07Å
457K85.9Confident79.5Confident76 Ų7662.2 Ų62.233%0.3335%0.346SS..Hα-helixtrans-58.2-51.9179174.8179.4173.6170.20111.9P445 M448 T455 L461P445-K457 HydrophobicContact CB-CD 3.95Å; P445-K457 HydrophobicContact CB-CG 4.4Å; M448-K457 HydrophobicContact CB-CB 4.25Å; M448-K457 HydrophobicContact SD-CB 3.98Å; M448-K457 HydrophobicContact SD-CG 3.98Å; T455-K457 VanDerWaalsContact C-N 3.33Å; T455-K457 PolarHBondContact O-N 3.04Å; K457-L461 HydrophobicContact CG-CD1 3.89Å; K457-L461 VanDerWaalsContact O-CB 3.27Å; K457-L461 WeakPolarHBondContact O-CB 3.43Å; K457-L461 WeakPolarHBondContact O-CG 3.39Å; K457-L461 PolarHBondContact O-N 3.46Å
458T86.4Confident79.8Confident62 Ų6259.8 Ų59.838%0.3833%0.333SS..Hα-helixtrans-69.4-41.7-175.7-58.40000111T455 E456 S462T455-T458 PolarHBondContact O-N 3.18Å; T455-T458 VanDerWaalsContact O-N 3.08Å; E456-T458 PolarHBondContact O-N 2.9Å; T458-S462 WeakPolarHBondContact O-CB 3.4Å; T458-S462 PolarHBondContact O-N 3.42Å; T458-S462 PolarHBondContact O-OG 3.05Å
459E88.8Confident80.2Confident101 Ų10159.1 Ų59.147%0.47233%0.33SS..Hα-helixtrans-63.5-52.4179-72.4171.8172.400111M401 T455 S462 F463M401-E459 HydrophobicContact SD-CB 4.25Å; T455-E459 WeakPolarHBondContact CB-OE1 3.37Å; T455-E459 VanDerWaalsContact O-CB 3.3Å; T455-E459 WeakPolarHBondContact O-CB 3.23Å; T455-E459 VanDerWaalsContact O-CG 3.27Å; T455-E459 WeakPolarHBondContact O-CG 3.24Å; T455-E459 PolarHBondContact O-N 3.11Å; E459-S462 PolarHBondContact O-N 3.33Å; E459-F463 WeakPolarHBondContact O-CB 3.41Å; E459-F463 PolarHBondContact O-N 3.5Å
460F92.3Very high81.3Confident1 Ų157.1 Ų57.10%0.00432%0.317CS..Hα-helixtrans-66.8-42.7-177.9-177.3-101.5000112.5R397 V400 M401 I414 L442 L443 M448 E456 F463 F464R397-F460 HydrophobicContact CB-CD2 3.67Å; R397-F460 HydrophobicContact CB-CE2 3.83Å; R397-F460 HydrophobicContact CB-CG 4.28Å; R397-F460 HydrophobicContact CG-CD1 4.25Å; R397-F460 HydrophobicContact CG-CD2 3.7Å; R397-F460 HydrophobicContact CG-CE1 4.14Å; R397-F460 HydrophobicContact CG-CE2 3.59Å; R397-F460 HydrophobicContact CG-CG 4.03Å; R397-F460 HydrophobicContact CG-CZ 3.82Å; V400-F460 HydrophobicContact CG2-CD2 4.49Å; V400-F460 HydrophobicContact CG2-CE2 3.71Å; M401-F460 HydrophobicContact CG-CD2 4.01Å; M401-F460 HydrophobicContact SD-CB 3.92Å; M401-F460 HydrophobicContact SD-CD2 4.05Å; I414-F460 HydrophobicContact CD1-CZ 4.29Å; L442-F460 WeakPolarHBondContact O-CE1 3.47Å; L443-F460 HydrophobicContact CD2-CE1 4.23Å; M448-F460 HydrophobicContact CE-CD1 3.57Å; M448-F460 HydrophobicContact CE-CE1 4.09Å; E456-F460 VanDerWaalsContact O-CB 3.23Å; E456-F460 WeakPolarHBondContact O-CB 3.5Å; E456-F460 PolarHBondContact O-N 3.07Å; F460-F463 HydrophobicContact CD2-CD1 4.16Å; F460-F463 HydrophobicContact CE2-CD1 4.12Å; F460-F463 HydrophobicContact CE2-CE1 4.36Å; F460-F463 WeakPolarHBondContact O-CB 3.36Å; F460-F463 PolarHBondContact O-N 2.93Å; F460-F464 WeakPolarHBondContact O-CB 3.49Å; F460-F464 PolarHBondContact O-N 3.36Å
461L93.6Very high83.2Confident0 Ų053.6 Ų53.60%029%0.286CS..Hα-helixtrans-65-43.2175.5-67.9178.9000110.9P445 M448 K457 F463 F464 Y465P445-L461 HydrophobicContact CG-CD1 4.47Å; M448-L461 HydrophobicContact CE-CD2 4.2Å; K457-L461 HydrophobicContact CG-CD1 3.89Å; K457-L461 VanDerWaalsContact O-CB 3.27Å; K457-L461 WeakPolarHBondContact O-CB 3.43Å; K457-L461 WeakPolarHBondContact O-CG 3.39Å; K457-L461 PolarHBondContact O-N 3.46Å; L461-F463 VanDerWaalsContact C-N 3.29Å; L461-F463 PolarHBondContact O-N 3.4Å; L461-F464 PolarHBondContact O-N 3.08Å; L461-Y465 VanDerWaalsContact O-CD2 3.25Å; L461-Y465 WeakPolarHBondContact O-CD2 3.35Å; L461-Y465 PolarHBondContact O-N 3.1Å
462S92.3Very high85.2Confident42 Ų4250 Ų5029%0.29426%0.264SS..Hα-helixtrans-58.6-43.8176-60.80000111.7T458 E459 K466 H513T458-S462 WeakPolarHBondContact O-CB 3.4Å; T458-S462 PolarHBondContact O-N 3.42Å; T458-S462 PolarHBondContact O-OG 3.05Å; E459-S462 PolarHBondContact O-N 3.33Å; S462-K466 VanDerWaalsContact O-CB 3.27Å; S462-K466 WeakPolarHBondContact O-CB 3.37Å; S462-K466 PolarHBondContact O-N 3.39Å; S462-K466 VanDerWaalsContact O-N 3.13Å; S462-H513 PolarHBondContact OG-CE1 2.74Å
463F93.3Very high87.4Confident14 Ų1444.7 Ų44.76%0.06122%0.22CC..Hα-helixtrans-56.6-55.6172.8162.4-103.2000111.4V400 M401 L412 I414 E459 F460 L461 Y465 K466 H467V400-F463 HydrophobicContact CB-CE1 4.22Å; V400-F463 HydrophobicContact CB-CZ 4.37Å; V400-F463 HydrophobicContact CG2-CE1 3.8Å; V400-F463 HydrophobicContact CG2-CZ 4.42Å; M401-F463 HydrophobicContact CG-CB 4.27Å; M401-F463 HydrophobicContact CG-CD1 4.02Å; M401-F463 HydrophobicContact CG-CG 4.06Å; L412-F463 HydrophobicContact CD1-CE2 4.13Å; L412-F463 HydrophobicContact CD1-CZ 4.07Å; I414-F463 HydrophobicContact CG2-CE1 4.46Å; I414-F463 HydrophobicContact CG2-CZ 4.45Å; E459-F463 WeakPolarHBondContact O-CB 3.41Å; E459-F463 PolarHBondContact O-N 3.5Å; F460-F463 HydrophobicContact CD2-CD1 4.16Å; F460-F463 HydrophobicContact CE2-CD1 4.12Å; F460-F463 HydrophobicContact CE2-CE1 4.36Å; F460-F463 WeakPolarHBondContact O-CB 3.36Å; F460-F463 PolarHBondContact O-N 2.93Å; L461-F463 VanDerWaalsContact C-N 3.29Å; L461-F463 PolarHBondContact O-N 3.4Å; F463-Y465 VanDerWaalsContact C-N 3.35Å; F463-Y465 PolarHBondContact O-N 3.02Å; F463-K466 PolarHBondContact O-N 3.26Å; F463-K466 VanDerWaalsContact O-N 3.1Å; F463-H467 HydrophobicContact CD2-CB 4.26Å; F463-H467 AromaticContact CD2-CD2 3.44Å; F463-H467 VanDerWaalsContact CD2-CD2 3.44Å; F463-H467 WeakPolarHBondContact CD2-CD2 3.31Å; F463-H467 HydrophobicContact CE2-CB 3.85Å; F463-H467 AromaticContact CE2-CD2 3.77Å; F463-H467 AromaticContact CE2-CG 3.95Å; F463-H467 HydrophobicContact CZ-CB 4.45Å; F463-H467 PolarHBondContact O-CD2 2.94Å; F463-H467 PolarHBondContact O-N 3.39Å
464F95.4Very high89.6Confident1 Ų140.8 Ų40.80%0.00420%0.203CC..Hα-helixtrans-60.3-42.5-175.7-174.8-91.3000112.8I414 I418 L443 F460 L461 K466 C468 M469 L472I414-F464 HydrophobicContact CD1-CD2 3.9Å; I414-F464 HydrophobicContact CD1-CE2 3.91Å; I414-F464 HydrophobicContact CG1-CE2 4.36Å; I418-F464 HydrophobicContact CD1-CE2 4.21Å; I418-F464 HydrophobicContact CD1-CZ 4.35Å; L443-F464 HydrophobicContact CD1-CE1 3.97Å; L443-F464 HydrophobicContact CD1-CE2 4.2Å; L443-F464 HydrophobicContact CD1-CZ 3.74Å; L443-F464 HydrophobicContact CD2-CB 4.22Å; L443-F464 HydrophobicContact CD2-CD1 3.56Å; L443-F464 HydrophobicContact CD2-CD2 3.66Å; L443-F464 HydrophobicContact CD2-CE1 3.74Å; L443-F464 HydrophobicContact CD2-CE2 3.83Å; L443-F464 HydrophobicContact CD2-CG 3.52Å; L443-F464 HydrophobicContact CD2-CZ 3.87Å; L443-F464 HydrophobicContact CG-CE2 4.37Å; L443-F464 HydrophobicContact CG-CZ 4.32Å; F460-F464 WeakPolarHBondContact O-CB 3.49Å; F460-F464 PolarHBondContact O-N 3.36Å; L461-F464 PolarHBondContact O-N 3.08Å; F464-K466 VanDerWaalsContact C-N 3.3Å; F464-K466 PolarHBondContact O-N 3.05Å; F464-C468 HydrophobicContact CD1-CB 4.49Å; F464-C468 HydrophobicContact CD2-CB 3.5Å; F464-C468 HydrophobicContact CE1-CB 4.49Å; F464-C468 HydrophobicContact CE2-CB 3.51Å; F464-C468 HydrophobicContact CG-CB 4.03Å; F464-C468 HydrophobicContact CZ-CB 4.03Å; F464-C468 CarbonylContact O-C 3.56Å; F464-C468 WeakPolarHBondContact O-CA 3.17Å; F464-C468 WeakPolarHBondContact O-CB 3.41Å; F464-C468 PolarHBondContact O-N 2.96Å; F464-M469 HydrophobicContact CD1-CB 4.35Å; F464-M469 HydrophobicContact CD1-CE 4.4Å; F464-M469 HydrophobicContact CE1-CB 4.19Å; F464-M469 HydrophobicContact CE1-CE 3.95Å; F464-M469 HydrophobicContact CE1-SD 4.27Å; F464-M469 PolarHBondContact O-N 3.37Å; F464-L472 HydrophobicContact CE1-CD2 4.45Å; F464-L472 HydrophobicContact CZ-CD2 4.25Å
465Y95.3Very high91.5Very high24 Ų2435 Ų359%0.09418%0.181CC..Hα-helixtrans-69.1-29.1178.9-85.2-87.8000113.4L461 F463 M469 C506 H510 H513 I514 Y517L461-Y465 VanDerWaalsContact O-CD2 3.25Å; L461-Y465 WeakPolarHBondContact O-CD2 3.35Å; L461-Y465 PolarHBondContact O-N 3.1Å; F463-Y465 VanDerWaalsContact C-N 3.35Å; F463-Y465 PolarHBondContact O-N 3.02Å; Y465-M469 HydrophobicContact CD1-CB 4.18Å; Y465-M469 HydrophobicContact CD1-CE 3.91Å; Y465-M469 HydrophobicContact CD1-CG 3.96Å; Y465-M469 HydrophobicContact CE1-CE 3.24Å; Y465-M469 HydrophobicContact CE1-CG 4.15Å; Y465-M469 HydrophobicContact CE2-CE 4.29Å; Y465-M469 VanDerWaalsContact CZ-CE 3.47Å; Y465-C506 WeakPolarHBondContact OH-CB 3.43Å; Y465-H510 HydrophobicContact CE2-CB 4.16Å; Y465-H510 AromaticContact CE2-ND1 3.44Å; Y465-H510 WeakPolarHBondContact CE2-ND1 3.34Å; Y465-H510 AromaticContact CZ-ND1 3.68Å; Y465-H510 WeakPolarHBondContact OH-CB 3.39Å; Y465-H510 PolarHBondContact OH-ND1 2.89Å; Y465-H513 HydrophobicContact CD1-CB 4.42Å; Y465-H513 HydrophobicContact CD2-CB 3.54Å; Y465-H513 HydrophobicContact CE1-CB 4.35Å; Y465-H513 HydrophobicContact CE2-CB 3.44Å; Y465-H513 VanDerWaalsContact CE2-CB 3.44Å; Y465-H513 HydrophobicContact CG-CB 4.04Å; Y465-I514 HydrophobicContact CE1-CB 4.34Å; Y465-I514 HydrophobicContact CE1-CD1 4.06Å; Y465-I514 WeakPolarHBondContact OH-CA 3.47Å; Y465-I514 WeakPolarHBondContact OH-CB 3.37Å; Y465-I514 WeakPolarHBondContact OH-CD1 3.21Å; Y465-I514 PolarHBondContact OH-N 2.88Å; Y465-Y517 HydrophobicContact CD1-CD2 4.19Å; Y465-Y517 HydrophobicContact CD1-CG 4.04Å; Y465-Y517 HydrophobicContact CE1-CG 4.19Å
466K92.4Very high92.9Very high149 Ų14932.2 Ų32.265%0.64816%0.164SC*.Hα-helixtrans-77.2-47.6177.3-176.5175.4169.7-164.20111.5S462 F463 F464S462-K466 VanDerWaalsContact O-CB 3.27Å; S462-K466 WeakPolarHBondContact O-CB 3.37Å; S462-K466 PolarHBondContact O-N 3.39Å; S462-K466 VanDerWaalsContact O-N 3.13Å; F463-K466 PolarHBondContact O-N 3.26Å; F463-K466 VanDerWaalsContact O-N 3.1Å; F464-K466 VanDerWaalsContact C-N 3.3Å; F464-K466 PolarHBondContact O-N 3.05Å
467H91.9Very high93.7Very high24 Ų2433.2 Ų33.211%0.11117%0.17CC..Hα-helixtrans-107.4-20.3-165.5-62-78.9000115D409 L412 N415 F463 H470D409-H467 VanDerWaalsContact CG-ND1 3.34Å; D409-H467 IonicContact OD1-CE1 2.58Å; D409-H467 IonicContact OD1-CG 2.66Å; D409-H467 IonicContact OD1-ND1 2.67Å; D409-H467 PolarHBondContact OD1-ND1 3.45Å; D409-H467 IonicContact OD2-ND1 2.87Å; D409-H467 PolarHBondContact OD2-ND1 3.47Å; L412-H467 HydrophobicContact CD1-CB 3.97Å; N415-H467 PolarHBondContact ND2-O 3.39Å; N415-H467 VanDerWaalsContact ND2-O 3.08Å; F463-H467 HydrophobicContact CD2-CB 4.26Å; F463-H467 AromaticContact CD2-CD2 3.44Å; F463-H467 VanDerWaalsContact CD2-CD2 3.44Å; F463-H467 WeakPolarHBondContact CD2-CD2 3.31Å; F463-H467 HydrophobicContact CE2-CB 3.85Å; F463-H467 AromaticContact CE2-CD2 3.77Å; F463-H467 AromaticContact CE2-CG 3.95Å; F463-H467 HydrophobicContact CZ-CB 4.45Å; F463-H467 PolarHBondContact O-CD2 2.94Å; F463-H467 PolarHBondContact O-N 3.39Å; H467-H470 PolarHBondContact O-CE1 3.35Å
468C95Very high94.2Very high0 Ų032.3 Ų32.30%018%0.177CC..THydrogen-bonded Turntrans-122.1-35.5-170.1-43.10000113.9I414 N415 I418 F464 H470 V471 L472I414-C468 HydrophobicContact CG2-CB 4.35Å; I414-C468 WeakPolarHBondContact CG2-SG 3.5Å; N415-C468 VanDerWaalsContact OD1-CA 3.31Å; N415-C468 WeakPolarHBondContact OD1-CA 3.41Å; N415-C468 WeakPolarHBondContact OD1-CB 3.45Å; I418-C468 HydrophobicContact CD1-CB 4.02Å; F464-C468 HydrophobicContact CD1-CB 4.49Å; F464-C468 HydrophobicContact CD2-CB 3.5Å; F464-C468 HydrophobicContact CE1-CB 4.49Å; F464-C468 HydrophobicContact CE2-CB 3.51Å; F464-C468 HydrophobicContact CG-CB 4.03Å; F464-C468 HydrophobicContact CZ-CB 4.03Å; F464-C468 CarbonylContact O-C 3.56Å; F464-C468 WeakPolarHBondContact O-CA 3.17Å; F464-C468 WeakPolarHBondContact O-CB 3.41Å; F464-C468 PolarHBondContact O-N 2.96Å; C468-H470 PolarHBondContact O-N 2.92Å; C468-H470 VanDerWaalsContact O-N 3.13Å; C468-V471 WeakPolarHBondContact O-CB 3.38Å; C468-V471 PolarHBondContact O-N 3.24Å; C468-L472 PolarHBondContact O-N 3.32Å; C468-L472 VanDerWaalsContact O-N 3.13Å
469M95.8Very high94.6Very high0 Ų029.9 Ų29.90%016%0.161CC..Hα-helixtrans-61.3-28.9-173.2-178.361.289.600113F464 Y465 L472 S473 L503 I514 Y517F464-M469 HydrophobicContact CD1-CB 4.35Å; F464-M469 HydrophobicContact CD1-CE 4.4Å; F464-M469 HydrophobicContact CE1-CB 4.19Å; F464-M469 HydrophobicContact CE1-CE 3.95Å; F464-M469 HydrophobicContact CE1-SD 4.27Å; F464-M469 PolarHBondContact O-N 3.37Å; Y465-M469 HydrophobicContact CD1-CB 4.18Å; Y465-M469 HydrophobicContact CD1-CE 3.91Å; Y465-M469 HydrophobicContact CD1-CG 3.96Å; Y465-M469 HydrophobicContact CE1-CE 3.24Å; Y465-M469 HydrophobicContact CE1-CG 4.15Å; Y465-M469 HydrophobicContact CE2-CE 4.29Å; Y465-M469 VanDerWaalsContact CZ-CE 3.47Å; M469-L472 HydrophobicContact SD-CD2 3.94Å; M469-S473 WeakPolarHBondContact O-CB 3.47Å; M469-S473 PolarHBondContact O-N 3.12Å; M469-S473 PolarHBondContact O-OG 2.85Å; M469-L503 HydrophobicContact CE-CD2 4.12Å; M469-L503 HydrophobicContact SD-CD2 3.75Å; M469-I514 HydrophobicContact CE-CD1 4.36Å; M469-Y517 HydrophobicContact CB-CE2 4.23Å; M469-Y517 HydrophobicContact CG-CD1 3.77Å; M469-Y517 HydrophobicContact CG-CD2 3.95Å; M469-Y517 HydrophobicContact CG-CE1 3.48Å; M469-Y517 VanDerWaalsContact CG-CE1 3.48Å; M469-Y517 HydrophobicContact CG-CE2 3.67Å; M469-Y517 HydrophobicContact CG-CG 4Å; M469-Y517 VanDerWaalsContact CG-CZ 3.44Å; M469-Y517 PolarHBondContact O-OH 3.2Å; M469-Y517 HydrophobicContact SD-CD1 4.49Å; M469-Y517 HydrophobicContact SD-CE1 4.25Å
470H94.1Very high94.9Very high76 Ų7625.1 Ų25.135%0.35214%0.139SC..Hα-helixtrans-70.7-34.2176.470.2-93000112.4D409 H467 C468 S473 A474D409-H470 IonicContact OD2-CE1 3.81Å; H467-H470 PolarHBondContact O-CE1 3.35Å; C468-H470 PolarHBondContact O-N 2.92Å; C468-H470 VanDerWaalsContact O-N 3.13Å; H470-S473 PolarHBondContact O-OG 3.38Å; H470-A474 WeakPolarHBondContact O-CB 3.25Å; H470-A474 PolarHBondContact O-N 3.12Å; H470-A474 VanDerWaalsContact O-N 3.11Å
471V95.5Very high94.9Very high20 Ų2029.1 Ų29.112%0.12116%0.164CC..Hα-helixtrans-67.5-47.7173.2-173.30000109.9I418 E419 C468 S473 A474I418-V471 HydrophobicContact CB-CG1 4.41Å; I418-V471 HydrophobicContact CG2-CB 4.32Å; I418-V471 HydrophobicContact CG2-CG1 3.82Å; E419-V471 HydrophobicContact CG-CG1 4.23Å; C468-V471 WeakPolarHBondContact O-CB 3.38Å; C468-V471 PolarHBondContact O-N 3.24Å; V471-S473 VanDerWaalsContact C-N 3.32Å; V471-S473 PolarHBondContact O-N 3.42Å; V471-A474 WeakPolarHBondContact O-CB 3.3Å; V471-A474 PolarHBondContact O-N 2.89Å
472L96.9Very high94.7Very high0 Ų035.4 Ų35.40%019%0.193CC..Hα-helixtrans-58.4-40.8179176.364.3000113I418 M421 F464 C468 M469 I499 L502I418-L472 HydrophobicContact CD1-CB 4.36Å; I418-L472 HydrophobicContact CG2-CB 4.19Å; I418-L472 HydrophobicContact CG2-CD1 4.37Å; M421-L472 HydrophobicContact CE-CD1 3.64Å; F464-L472 HydrophobicContact CE1-CD2 4.45Å; F464-L472 HydrophobicContact CZ-CD2 4.25Å; C468-L472 PolarHBondContact O-N 3.32Å; C468-L472 VanDerWaalsContact O-N 3.13Å; M469-L472 HydrophobicContact SD-CD2 3.94Å; L472-I499 HydrophobicContact CD1-CG1 4.36Å; L472-L502 HydrophobicContact CD1-CD2 4.06Å; L472-L502 HydrophobicContact CD2-CD2 3.69Å; L472-L502 HydrophobicContact CD2-CG 4.31Å
473S96.8Very high94.3Very high0 Ų040.5 Ų40.50%021%0.212CC..Hα-helixtrans-88.8-8.9-177.162.40000114.1M469 H470 V471 L476 L477 Y517M469-S473 WeakPolarHBondContact O-CB 3.47Å; M469-S473 PolarHBondContact O-N 3.12Å; M469-S473 PolarHBondContact O-OG 2.85Å; H470-S473 PolarHBondContact O-OG 3.38Å; V471-S473 VanDerWaalsContact C-N 3.32Å; V471-S473 PolarHBondContact O-N 3.42Å; S473-L476 WeakPolarHBondContact O-CB 3.48Å; S473-L476 PolarHBondContact O-N 3.02Å; S473-L476 VanDerWaalsContact O-N 3.13Å; S473-L477 WeakPolarHBondContact O-CG 3.48Å; S473-L477 PolarHBondContact O-N 2.84Å; S473-Y517 PolarHBondContact OG-OH 2.98Å
474A96Very high94.1Very high33 Ų3346.5 Ų46.527%0.27324%0.238SC..Hα-helixtrans-55.8-45.1-177.200000113.6H470 V471 L476 L477 A478H470-A474 WeakPolarHBondContact O-CB 3.25Å; H470-A474 PolarHBondContact O-N 3.12Å; H470-A474 VanDerWaalsContact O-N 3.11Å; V471-A474 WeakPolarHBondContact O-CB 3.3Å; V471-A474 PolarHBondContact O-N 2.89Å; A474-L476 VanDerWaalsContact C-N 3.3Å; A474-L476 PolarHBondContact O-N 3.3Å; A474-L477 PolarHBondContact O-N 3.02Å; A474-A478 VanDerWaalsContact O-CB 3.32Å; A474-A478 WeakPolarHBondContact O-CB 3.39Å; A474-A478 PolarHBondContact O-N 3.2Å
475P96.3Very high93.9Very high27 Ų2747.3 Ų47.318%0.17524%0.244CC..Hα-helixtrans-61.8-37.6178.1-22.633.7000112.9I422 N479 L496 I499I422-P475 HydrophobicContact CB-CG 4.5Å; I422-P475 HydrophobicContact CD1-CG 3.61Å; I422-P475 HydrophobicContact CG1-CG 3.85Å; I422-P475 HydrophobicContact CG2-CG 3.8Å; P475-N479 VanDerWaalsContact O-CB 3.3Å; P475-N479 WeakPolarHBondContact O-CB 3.4Å; P475-N479 PolarHBondContact O-N 3.24Å; P475-N479 VanDerWaalsContact O-N 3.07Å; P475-L496 HydrophobicContact CB-CD2 4.46Å; P475-I499 HydrophobicContact CB-CD1 3.94Å; P475-I499 HydrophobicContact CG-CD1 3.94Å
476L97.3Very high93.8Very high1 Ų149.5 Ų49.51%0.00526%0.262CS..Hα-helixtrans-64-49.1176169.567.5000110.9S473 A474 N479 T480 L496 L500 L503 I523 V527 L530S473-L476 WeakPolarHBondContact O-CB 3.48Å; S473-L476 PolarHBondContact O-N 3.02Å; S473-L476 VanDerWaalsContact O-N 3.13Å; A474-L476 VanDerWaalsContact C-N 3.3Å; A474-L476 PolarHBondContact O-N 3.3Å; L476-N479 PolarHBondContact O-N 2.78Å; L476-T480 HydrophobicContact CD1-CG2 4.12Å; L476-T480 WeakPolarHBondContact O-CB 3Å; L476-T480 WeakPolarHBondContact O-CG2 3.29Å; L476-T480 PolarHBondContact O-N 2.89Å; L476-T480 PolarHBondContact O-OG1 2.8Å; L476-L496 HydrophobicContact CB-CD2 4.05Å; L476-L496 HydrophobicContact CD1-CD2 4.41Å; L476-L500 HydrophobicContact CD2-CD2 4.43Å; L476-L503 HydrophobicContact CD2-CD1 3.85Å; L476-I523 HydrophobicContact CD2-CG2 4.33Å; L476-V527 HydrophobicContact CD1-CG2 4.33Å; L476-V527 HydrophobicContact CD2-CG2 3.77Å; L476-L530 HydrophobicContact CD1-CD1 3.62Å; L476-L530 HydrophobicContact CD1-CG 4.42Å
477L96.1Very high93.8Very high47 Ų4748 Ų4825%0.24626%0.256CS..Hα-helixtrans-64.8-43.6-178.6-66.9178.4000111.6S473 A474 N479 T480 I523 R526S473-L477 WeakPolarHBondContact O-CG 3.48Å; S473-L477 PolarHBondContact O-N 2.84Å; A474-L477 PolarHBondContact O-N 3.02Å; L477-N479 VanDerWaalsContact C-N 3.32Å; L477-N479 PolarHBondContact O-N 2.94Å; L477-T480 PolarHBondContact O-N 3.2Å; L477-I523 HydrophobicContact CD2-CD1 3.96Å; L477-R526 HydrophobicContact CD2-CB 4.16Å; L477-R526 HydrophobicContact CD2-CG 3.71Å
478A95.6Very high93.8Very high57 Ų5748.3 Ų48.347%0.47126%0.259SS..Hα-helixtrans-61.4-39.8177.300000112A474 T480A474-A478 VanDerWaalsContact O-CB 3.32Å; A474-A478 WeakPolarHBondContact O-CB 3.39Å; A474-A478 PolarHBondContact O-N 3.2Å; A478-T480 VanDerWaalsContact C-N 3.3Å; A478-T480 PolarHBondContact O-N 2.83Å
479N96Very high93.7Very high11 Ų1151.1 Ų51.16%0.05927%0.274CS..Hα-helixtrans-80.2-7.1-177.5-158.445.2000114.5P475 L476 L477 P485 S486 K487 L496P475-N479 VanDerWaalsContact O-CB 3.3Å; P475-N479 WeakPolarHBondContact O-CB 3.4Å; P475-N479 PolarHBondContact O-N 3.24Å; P475-N479 VanDerWaalsContact O-N 3.07Å; L476-N479 PolarHBondContact O-N 2.78Å; L477-N479 VanDerWaalsContact C-N 3.32Å; L477-N479 PolarHBondContact O-N 2.94Å; N479-P485 VanDerWaalsContact O-CA 3.32Å; N479-P485 WeakPolarHBondContact O-CA 3.31Å; N479-S486 PolarHBondContact O-N 3.32Å; N479-S486 PolarHBondContact OD1-N 3.27Å; N479-K487 PolarHBondContact ND2-O 2.88Å; N479-K487 WeakPolarHBondContact OD1-CA 3.45Å; N479-K487 WeakPolarHBondContact OD1-CB 3.45Å; N479-K487 PolarHBondContact OD1-N 2.87Å; N479-K487 PolarHBondContact OD1-O 2.79Å; N479-L496 HydrophobicContact CB-CD1 4.17Å; N479-L496 WeakPolarHBondContact ND2-CD1 3.39Å
480T95.8Very high93.6Very high0 Ų056.8 Ų56.80%030%0.299CS..THydrogen-bonded Turntrans-126.928.9-171.759.40000112.6L476 L477 A478 E482 R526 V529 L530L476-T480 HydrophobicContact CD1-CG2 4.12Å; L476-T480 WeakPolarHBondContact O-CB 3Å; L476-T480 WeakPolarHBondContact O-CG2 3.29Å; L476-T480 PolarHBondContact O-N 2.89Å; L476-T480 PolarHBondContact O-OG1 2.8Å; L477-T480 PolarHBondContact O-N 3.2Å; A478-T480 VanDerWaalsContact C-N 3.3Å; A478-T480 PolarHBondContact O-N 2.83Å; T480-E482 VanDerWaalsContact C-N 3.33Å; T480-R526 WeakPolarHBondContact CB-O 3.19Å; T480-R526 WeakPolarHBondContact CG2-O 3.41Å; T480-R526 WeakPolarHBondContact O-CD 3.27Å; T480-R526 PolarHBondContact O-NH1 3.43Å; T480-R526 WeakPolarHBondContact OG1-CB 3.41Å; T480-R526 WeakPolarHBondContact OG1-CD 3.5Å; T480-V529 HydrophobicContact CG2-CB 4.07Å; T480-V529 HydrophobicContact CG2-CG1 4.25Å; T480-L530 HydrophobicContact CG2-CD2 3.61Å; T480-L530 HydrophobicContact CG2-CG 3.99Å
481T91.4Very high93.5Very high85 Ų8557 Ų5752%0.52130%0.3SS..SBendtrans-65.6-37.1175.149.30000111.9R526T481-R526 PolarHBondContact O-NH1 3.5Å
482E88.8Confident93.4Very high133 Ų13357.2 Ų57.262%0.62130%0.301SS*.SBendtrans-97.1-179.5-179.8-60-172.1179.600113.5T480 K484 V529T480-E482 VanDerWaalsContact C-N 3.33Å; E482-K484 PolarHBondContact O-N 3.42Å; E482-V529 WeakPolarHBondContact O-CG1 3.47Å
483E84.3Confident93.3Very high149 Ų14957.2 Ų57.270%0.69630%0.301SS*.SBendtrans-68.9-7.5174.9-76.9-161.3-166.600114.3K572E483-K572 IonicContact OE2-NZ 3.12Å; E483-K572 PolarHBondContact OE2-NZ 3.37Å
484K88.6Confident93.3Very high139 Ų13959.1 Ų59.160%0.60431%0.31SS*.SBendtrans-139.2158.6177.9-69.5-174-179.2-179.30109.9E482 S486 V529 A532E482-K484 PolarHBondContact O-N 3.42Å; K484-S486 PolarHBondContact O-N 3.44Å; K484-V529 VanDerWaalsContact C-CG1 3.47Å; K484-A532 HydrophobicContact CG-CB 4.28Å
485P92.1Very high93.3Very high18 Ų1858.5 Ų58.512%0.11730%0.302CS..  trans-57.4129174.3-20.631.6000111N479 D488 L530N479-P485 VanDerWaalsContact O-CA 3.32Å; N479-P485 WeakPolarHBondContact O-CA 3.31Å; P485-D488 HydrophobicContact CB-CB 4.3Å; P485-L530 HydrophobicContact CB-CD2 4.37Å; P485-L530 HydrophobicContact CG-CD2 4.06Å
486S92.8Very high93.3Very high70 Ų7057.3 Ų57.349%0.4929%0.294SS..SBendtrans-66.8-38.9179.8-54.50000112N479 K484N479-S486 PolarHBondContact O-N 3.32Å; N479-S486 PolarHBondContact OD1-N 3.27Å; K484-S486 PolarHBondContact O-N 3.44Å
487K92.5Very high93.3Very high118 Ų11857.9 Ų57.951%0.51330%0.299SS..  trans-129.1123.3177.8-175.5175.5177.7-170.30108.5N479 D489 T492N479-K487 PolarHBondContact ND2-O 2.88Å; N479-K487 WeakPolarHBondContact OD1-CA 3.45Å; N479-K487 WeakPolarHBondContact OD1-CB 3.45Å; N479-K487 PolarHBondContact OD1-N 2.87Å; N479-K487 PolarHBondContact OD1-O 2.79Å; K487-D489 WeakPolarHBondContact CD-OD2 3.4Å; K487-D489 WeakPolarHBondContact CE-OD2 3.31Å; K487-D489 WeakPolarHBondContact CG-OD2 3.39Å; K487-D489 IonicContact NZ-OD2 3.05Å; K487-T492 HydrophobicContact CB-CG2 4.39Å; K487-T492 HydrophobicContact CD-CG2 4.42Å; K487-T492 WeakPolarHBondContact CD-OG1 3.47Å; K487-T492 WeakPolarHBondContact CE-OG1 3.3Å; K487-T492 HydrophobicContact CG-CG2 4.24Å
488D92.8Very high93.3Very high31 Ų3156.3 Ų56.317%0.16629%0.291CS..  trans-133.832.1-171-157.220.6000111.9P485 S533 Q534 H535P485-D488 HydrophobicContact CB-CB 4.3Å; D488-S533 PolarHBondContact OD1-OG 3.41Å; D488-S533 WeakPolarHBondContact OD2-CA 3.45Å; D488-S533 PolarHBondContact OD2-OG 3.09Å; D488-Q534 PolarHBondContact O-NE2 3.08Å; D488-Q534 WeakPolarHBondContact OD2-CG 3.31Å; D488-Q534 PolarHBondContact OD2-N 3.04Å; D488-H535 PolarHBondContact O-CD2 3.16Å; D488-H535 PolarHBondContact O-NE2 3.05Å; D488-H535 IonicContact OD1-CD2 3.18Å; D488-H535 PolarHBondContact OD1-CD2 2.87Å
489D93.1Very high93.4Very high59 Ų5953.7 Ų53.732%0.31627%0.268SS..  trans-72.2165.4166.655.482.1000111.8K487 Q491 T492 A493K487-D489 WeakPolarHBondContact CD-OD2 3.4Å; K487-D489 WeakPolarHBondContact CE-OD2 3.31Å; K487-D489 WeakPolarHBondContact CG-OD2 3.39Å; K487-D489 IonicContact NZ-OD2 3.05Å; D489-Q491 PolarHBondContact O-N 2.81Å; D489-Q491 PolarHBondContact OD1-N 2.96Å; D489-T492 VanDerWaalsContact CG-OG1 3.28Å; D489-T492 PolarHBondContact O-N 2.8Å; D489-T492 WeakPolarHBondContact OD1-CB 3.31Å; D489-T492 PolarHBondContact OD1-N 3.14Å; D489-T492 PolarHBondContact OD1-OG1 3.45Å; D489-T492 PolarHBondContact OD2-OG1 2.9Å; D489-T492 VanDerWaalsContact OD2-OG1 3.13Å; D489-A493 VanDerWaalsContact O-CB 3.31Å; D489-A493 WeakPolarHBondContact O-CB 3.41Å; D489-A493 PolarHBondContact O-N 2.87Å
490F92.6Very high93.5Very high119 Ų11953.1 Ų53.152%0.52227%0.266SS..Hα-helixtrans-59.9-44.5-174.5-175.2-98.7000112.9A493 Q494 F537F490-A493 PolarHBondContact O-N 3.18Å; F490-Q494 WeakPolarHBondContact O-CB 3.38Å; F490-Q494 PolarHBondContact O-N 3.04Å; F490-F537 HydrophobicContact CD2-CE1 4.24Å; F490-F537 AromaticContact CE2-CE1 3.98Å; F490-F537 HydrophobicContact CE2-CE1 3.98Å; F490-F537 HydrophobicContact CE2-CZ 4.36Å
491Q92Very high93.6Very high81 Ų8157 Ų5738%0.37928%0.284SS..Hα-helixtrans-64-47.6-179.2-171.3-177.913.600111.2D424 L429 D489 A493 Q494 L495D424-Q491 PolarHBondContact O-NE2 3.07Å; D424-Q491 VanDerWaalsContact O-NE2 3.16Å; L429-Q491 HydrophobicContact CD1-CG 4.46Å; L429-Q491 HydrophobicContact CD2-CG 4.2Å; L429-Q491 HydrophobicContact CG-CG 4.38Å; D489-Q491 PolarHBondContact O-N 2.81Å; D489-Q491 PolarHBondContact OD1-N 2.96Å; Q491-A493 VanDerWaalsContact C-N 3.31Å; Q491-A493 PolarHBondContact O-N 3.2Å; Q491-Q494 PolarHBondContact O-N 3.49Å; Q491-L495 PolarHBondContact O-N 2.84Å
492T93.8Very high93.9Very high23 Ų2353 Ų5314%0.14126%0.259CS..Hα-helixtrans-61.8-41.4176.5-53.50000110.9K487 D489 Q494 L495 L496K487-T492 HydrophobicContact CB-CG2 4.39Å; K487-T492 HydrophobicContact CD-CG2 4.42Å; K487-T492 WeakPolarHBondContact CD-OG1 3.47Å; K487-T492 WeakPolarHBondContact CE-OG1 3.3Å; K487-T492 HydrophobicContact CG-CG2 4.24Å; D489-T492 VanDerWaalsContact CG-OG1 3.28Å; D489-T492 PolarHBondContact O-N 2.8Å; D489-T492 WeakPolarHBondContact OD1-CB 3.31Å; D489-T492 PolarHBondContact OD1-N 3.14Å; D489-T492 PolarHBondContact OD1-OG1 3.45Å; D489-T492 PolarHBondContact OD2-OG1 2.9Å; D489-T492 VanDerWaalsContact OD2-OG1 3.13Å; T492-Q494 VanDerWaalsContact C-N 3.35Å; T492-Q494 PolarHBondContact O-N 3.28Å; T492-L495 PolarHBondContact O-N 2.93Å; T492-L496 HydrophobicContact CG2-CD1 4.19Å; T492-L496 WeakPolarHBondContact O-CB 3.38Å; T492-L496 VanDerWaalsContact O-CG 3.26Å; T492-L496 WeakPolarHBondContact O-CG 3.44Å; T492-L496 PolarHBondContact O-N 3.05Å
493A95.6Very high94.3Very high1 Ų146.7 Ų46.71%0.00823%0.23CC..Hα-helixtrans-65.4-37.5177.900000112.7D489 F490 Q491 A497 H535 F537 L538D489-A493 VanDerWaalsContact O-CB 3.31Å; D489-A493 WeakPolarHBondContact O-CB 3.41Å; D489-A493 PolarHBondContact O-N 2.87Å; F490-A493 PolarHBondContact O-N 3.18Å; Q491-A493 VanDerWaalsContact C-N 3.31Å; Q491-A493 PolarHBondContact O-N 3.2Å; A493-A497 WeakPolarHBondContact O-CB 3.42Å; A493-A497 PolarHBondContact O-N 3.11Å; A493-H535 HydrophobicContact CB-CB 4.22Å; A493-H535 WeakPolarHBondContact CB-CD2 3.5Å; A493-F537 HydrophobicContact CB-CE2 4.29Å; A493-F537 HydrophobicContact CB-CZ 3.76Å; A493-L538 HydrophobicContact CB-CB 4.48Å; A493-L538 HydrophobicContact CB-CD2 3.89Å
494Q95Very high95Very high40 Ų4040.2 Ų40.219%0.18720%0.2CC..Hα-helixtrans-69.1-44.1176.6-168.5-178.6-1200111.5E428 L429 F490 Q491 T492 L496 A497 L498E428-Q494 PolarHBondContact O-NE2 3.11Å; L429-Q494 HydrophobicContact CD1-CB 3.75Å; L429-Q494 HydrophobicContact CD1-CG 3.8Å; F490-Q494 WeakPolarHBondContact O-CB 3.38Å; F490-Q494 PolarHBondContact O-N 3.04Å; Q491-Q494 PolarHBondContact O-N 3.49Å; T492-Q494 VanDerWaalsContact C-N 3.35Å; T492-Q494 PolarHBondContact O-N 3.28Å; Q494-L496 PolarHBondContact O-N 3.27Å; Q494-A497 WeakPolarHBondContact O-CB 3.4Å; Q494-A497 PolarHBondContact O-N 3.43Å; Q494-A497 VanDerWaalsContact O-N 3.13Å; Q494-L498 PolarHBondContact O-N 3.13Å
495L96Very high95.4Very high20 Ų2033.9 Ų33.911%0.10517%0.173CC..Hα-helixtrans-57.9-47.3173.1174.263.2000111.7I422 L429 Q491 T492 A497 L498 I499I422-L495 HydrophobicContact CG2-CD2 4.19Å; L429-L495 HydrophobicContact CD1-CB 4.14Å; Q491-L495 PolarHBondContact O-N 2.84Å; T492-L495 PolarHBondContact O-N 2.93Å; L495-A497 VanDerWaalsContact C-N 3.26Å; L495-A497 PolarHBondContact O-N 3.02Å; L495-L498 WeakPolarHBondContact O-CB 3.32Å; L495-L498 PolarHBondContact O-N 2.75Å; L495-L498 VanDerWaalsContact O-N 3.15Å; L495-I499 HydrophobicContact CD1-CD1 4.21Å; L495-I499 HydrophobicContact CD1-CG1 4.47Å; L495-I499 HydrophobicContact CG-CD1 4.1Å; L495-I499 WeakPolarHBondContact O-CG1 3.47Å; L495-I499 PolarHBondContact O-N 2.9Å
496L97.1Very high95.7Very high2 Ų233 Ų331%0.0117%0.167CC..Hα-helixtrans-63.3-33.8177.1-68.9176.7000112.1P475 L476 N479 T492 Q494 I499 L500 L530 L538P475-L496 HydrophobicContact CB-CD2 4.46Å; L476-L496 HydrophobicContact CB-CD2 4.05Å; L476-L496 HydrophobicContact CD1-CD2 4.41Å; N479-L496 HydrophobicContact CB-CD1 4.17Å; N479-L496 WeakPolarHBondContact ND2-CD1 3.39Å; T492-L496 HydrophobicContact CG2-CD1 4.19Å; T492-L496 WeakPolarHBondContact O-CB 3.38Å; T492-L496 VanDerWaalsContact O-CG 3.26Å; T492-L496 WeakPolarHBondContact O-CG 3.44Å; T492-L496 PolarHBondContact O-N 3.05Å; Q494-L496 PolarHBondContact O-N 3.27Å; L496-I499 HydrophobicContact CD2-CD1 4.46Å; L496-I499 PolarHBondContact O-N 3.13Å; L496-L500 WeakPolarHBondContact O-CB 3.23Å; L496-L500 VanDerWaalsContact O-CG 3.24Å; L496-L500 WeakPolarHBondContact O-CG 3.31Å; L496-L500 PolarHBondContact O-N 3Å; L496-L530 HydrophobicContact CD1-CD2 4.05Å; L496-L538 HydrophobicContact CB-CD1 3.82Å; L496-L538 HydrophobicContact CB-CD2 4.42Å; L496-L538 HydrophobicContact CD1-CD2 4.38Å
497A97Very high95.9Very high12 Ų1229.9 Ų29.910%0.09915%0.145CC..Hα-helixtrans-64.4-40.5173.800000111.9A493 Q494 L495 L500 E501 F537 L538A493-A497 WeakPolarHBondContact O-CB 3.42Å; A493-A497 PolarHBondContact O-N 3.11Å; Q494-A497 WeakPolarHBondContact O-CB 3.4Å; Q494-A497 PolarHBondContact O-N 3.43Å; Q494-A497 VanDerWaalsContact O-N 3.13Å; L495-A497 VanDerWaalsContact C-N 3.26Å; L495-A497 PolarHBondContact O-N 3.02Å; A497-L500 PolarHBondContact O-N 3.39Å; A497-E501 WeakPolarHBondContact O-CB 3.37Å; A497-E501 PolarHBondContact O-N 3.47Å; A497-F537 HydrophobicContact CB-CD2 4.19Å; A497-F537 HydrophobicContact CB-CE2 4.02Å; A497-L538 HydrophobicContact CB-CD1 4.2Å
498L97.1Very high96Very high15 Ų1527.9 Ų27.98%0.07914%0.137CC..Hα-helixtrans-63.2-46.6174.7-65.1174.3000111.7A432 V433 M436 Q494 L495 L500 E501 L502A432-L498 HydrophobicContact CB-CD1 4.04Å; V433-L498 HydrophobicContact CG2-CD1 4.09Å; V433-L498 HydrophobicContact CG2-CD2 3.98Å; M436-L498 HydrophobicContact CE-CD2 3.99Å; M436-L498 HydrophobicContact CG-CB 4.49Å; Q494-L498 PolarHBondContact O-N 3.13Å; L495-L498 WeakPolarHBondContact O-CB 3.32Å; L495-L498 PolarHBondContact O-N 2.75Å; L495-L498 VanDerWaalsContact O-N 3.15Å; L498-L500 VanDerWaalsContact C-N 3.33Å; L498-L500 PolarHBondContact O-N 3.05Å; L498-E501 WeakPolarHBondContact O-CB 3.49Å; L498-E501 PolarHBondContact O-N 3.34Å; L498-L502 PolarHBondContact O-N 3.46Å
499I97.9Very high96Very high1 Ų129 Ų291%0.00514%0.141CC..Hα-helixtrans-60.1-44.9176.3-66.3167.7000110.4M421 L472 P475 L495 L496 E501 L502 L503M421-I499 HydrophobicContact CE-CG1 4.35Å; L472-I499 HydrophobicContact CD1-CG1 4.36Å; P475-I499 HydrophobicContact CB-CD1 3.94Å; P475-I499 HydrophobicContact CG-CD1 3.94Å; L495-I499 HydrophobicContact CD1-CD1 4.21Å; L495-I499 HydrophobicContact CD1-CG1 4.47Å; L495-I499 HydrophobicContact CG-CD1 4.1Å; L495-I499 WeakPolarHBondContact O-CG1 3.47Å; L495-I499 PolarHBondContact O-N 2.9Å; L496-I499 HydrophobicContact CD2-CD1 4.46Å; L496-I499 PolarHBondContact O-N 3.13Å; I499-E501 VanDerWaalsContact C-N 3.32Å; I499-E501 PolarHBondContact O-N 3.08Å; I499-L502 PolarHBondContact O-N 3.1Å; I499-L503 HydrophobicContact CG2-CD1 3.98Å; I499-L503 HydrophobicContact CG2-CG 4.34Å; I499-L503 WeakPolarHBondContact O-CB 3.49Å; I499-L503 WeakPolarHBondContact O-CG 3.46Å; I499-L503 PolarHBondContact O-N 3.49Å
500L97.9Very high96.1Very high0 Ų026.2 Ų26.20%013%0.126CC..Hα-helixtrans-64.1-35.7176.9-75.2-176.8000112.9L476 L496 A497 L498 T504 V527 L530 L538 C541 A542L476-L500 HydrophobicContact CD2-CD2 4.43Å; L496-L500 WeakPolarHBondContact O-CB 3.23Å; L496-L500 VanDerWaalsContact O-CG 3.24Å; L496-L500 WeakPolarHBondContact O-CG 3.31Å; L496-L500 PolarHBondContact O-N 3Å; A497-L500 PolarHBondContact O-N 3.39Å; L498-L500 VanDerWaalsContact C-N 3.33Å; L498-L500 PolarHBondContact O-N 3.05Å; L500-T504 VanDerWaalsContact O-CB 3.26Å; L500-T504 WeakPolarHBondContact O-CB 3.46Å; L500-T504 PolarHBondContact O-N 2.77Å; L500-T504 PolarHBondContact O-OG1 2.89Å; L500-V527 HydrophobicContact CD1-CG1 4.28Å; L500-V527 HydrophobicContact CD2-CB 4.13Å; L500-V527 HydrophobicContact CD2-CG1 3.58Å; L500-V527 HydrophobicContact CD2-CG2 3.46Å; L500-V527 VanDerWaalsContact CD2-CG2 3.46Å; L500-L530 HydrophobicContact CD1-CD1 3.81Å; L500-L530 HydrophobicContact CG-CD1 4.43Å; L500-L538 HydrophobicContact CD1-CD1 4Å; L500-C541 HydrophobicContact CB-CB 4.28Å; L500-C541 HydrophobicContact CD1-CB 3.77Å; L500-A542 HydrophobicContact CD1-CB 4.41Å
501E97.3Very high96Very high82 Ų8224.1 Ų24.138%0.38312%0.124SC..Hα-helixtrans-63.7-45.4175.8-175.1168.2177.300110.9R440 A497 L498 I499 T504 F505R440-E501 IonicContact NH1-OE1 3.65Å; A497-E501 WeakPolarHBondContact O-CB 3.37Å; A497-E501 PolarHBondContact O-N 3.47Å; L498-E501 WeakPolarHBondContact O-CB 3.49Å; L498-E501 PolarHBondContact O-N 3.34Å; I499-E501 VanDerWaalsContact C-N 3.32Å; I499-E501 PolarHBondContact O-N 3.08Å; E501-T504 WeakPolarHBondContact O-CB 3.35Å; E501-T504 PolarHBondContact O-N 2.84Å; E501-F505 PolarHBondContact O-N 3.03Å
502L97.8Very high95.9Very high1 Ų122.1 Ų22.11%0.00511%0.113CC..Hα-helixtrans-65.4-42.9176.4-17058.1000112L439 R440 L443 L472 L498 I499 T504 F505 C506L439-L502 HydrophobicContact CB-CD2 4.25Å; R440-L502 HydrophobicContact CB-CD1 3.96Å; R440-L502 HydrophobicContact CG-CD1 4.37Å; L443-L502 HydrophobicContact CD1-CD1 4.03Å; L443-L502 HydrophobicContact CD1-CD2 4.12Å; L443-L502 HydrophobicContact CD1-CG 4.27Å; L472-L502 HydrophobicContact CD1-CD2 4.06Å; L472-L502 HydrophobicContact CD2-CD2 3.69Å; L472-L502 HydrophobicContact CD2-CG 4.31Å; L498-L502 PolarHBondContact O-N 3.46Å; I499-L502 PolarHBondContact O-N 3.1Å; L502-T504 VanDerWaalsContact C-N 3.31Å; L502-T504 PolarHBondContact O-N 3.07Å; L502-F505 HydrophobicContact CD1-CD1 4.32Å; L502-F505 WeakPolarHBondContact O-CB 3.21Å; L502-F505 PolarHBondContact O-N 3.34Å; L502-C506 PolarHBondContact O-N 3.31Å; L502-C506 PolarHBondContact O-SG 3.32Å
503L98.1Very high95.9Very high0 Ų021.7 Ų21.70%011%0.109CC..Hα-helixtrans-63-37.3173.9-70.5175.7000112.2M469 L476 I499 F505 C506 V507 I523 F545M469-L503 HydrophobicContact CE-CD2 4.12Å; M469-L503 HydrophobicContact SD-CD2 3.75Å; L476-L503 HydrophobicContact CD2-CD1 3.85Å; I499-L503 HydrophobicContact CG2-CD1 3.98Å; I499-L503 HydrophobicContact CG2-CG 4.34Å; I499-L503 WeakPolarHBondContact O-CB 3.49Å; I499-L503 WeakPolarHBondContact O-CG 3.46Å; I499-L503 PolarHBondContact O-N 3.49Å; L503-F505 VanDerWaalsContact C-N 3.35Å; L503-C506 WeakPolarHBondContact O-CB 3.42Å; L503-C506 PolarHBondContact O-N 2.82Å; L503-V507 WeakPolarHBondContact O-CG2 3.46Å; L503-V507 PolarHBondContact O-N 3.02Å; L503-I523 HydrophobicContact CD1-CG2 4.37Å; L503-F545 HydrophobicContact CB-CD2 4.34Å; L503-F545 HydrophobicContact CB-CE2 3.77Å
504T97.9Very high95.9Very high12 Ų1221.7 Ų21.77%0.07411%0.109CC..Hα-helixtrans-64.1-42.6175.2-58.30000110.5L500 E501 L502 V507 E508 F545 R548L500-T504 VanDerWaalsContact O-CB 3.26Å; L500-T504 WeakPolarHBondContact O-CB 3.46Å; L500-T504 PolarHBondContact O-N 2.77Å; L500-T504 PolarHBondContact O-OG1 2.89Å; E501-T504 WeakPolarHBondContact O-CB 3.35Å; E501-T504 PolarHBondContact O-N 2.84Å; L502-T504 VanDerWaalsContact C-N 3.31Å; L502-T504 PolarHBondContact O-N 3.07Å; T504-V507 WeakPolarHBondContact O-CB 3.48Å; T504-V507 PolarHBondContact O-N 3.35Å; T504-E508 PolarHBondContact O-N 3.43Å; T504-F545 WeakPolarHBondContact OG1-CD2 3.5Å; T504-R548 HydrophobicContact CG2-CB 4.19Å; T504-R548 HydrophobicContact CG2-CG 3.61Å
505F97.7Very high95.9Very high7 Ų721.5 Ų21.53%0.03111%0.108CC..Hα-helixtrans-57.9-47.7171.3171.7-97.1000111.1R440 L443 D444 E501 L502 L503 V507 E508 H509 H510R440-F505 HydrophobicContact CG-CD1 4.16Å; R440-F505 HydrophobicContact CG-CD2 4.35Å; R440-F505 HydrophobicContact CG-CE1 4.12Å; R440-F505 HydrophobicContact CG-CE2 4.31Å; R440-F505 HydrophobicContact CG-CG 4.26Å; R440-F505 HydrophobicContact CG-CZ 4.19Å; L443-F505 HydrophobicContact CB-CE1 4.35Å; D444-F505 HydrophobicContact CB-CZ 3.96Å; E501-F505 PolarHBondContact O-N 3.03Å; L502-F505 HydrophobicContact CD1-CD1 4.32Å; L502-F505 WeakPolarHBondContact O-CB 3.21Å; L502-F505 PolarHBondContact O-N 3.34Å; L503-F505 VanDerWaalsContact C-N 3.35Å; F505-V507 VanDerWaalsContact C-N 3.28Å; F505-V507 PolarHBondContact O-N 2.85Å; F505-E508 PolarHBondContact O-N 3.19Å; F505-H509 AromaticContact CD2-CD2 3.32Å; F505-H509 WeakPolarHBondContact CD2-CD2 3.31Å; F505-H509 AromaticContact CD2-NE2 3.68Å; F505-H509 AromaticContact CE2-CD2 3.21Å; F505-H509 WeakPolarHBondContact CE2-CD2 3.33Å; F505-H509 AromaticContact CE2-CG 3.9Å; F505-H509 AromaticContact CE2-NE2 3.47Å; F505-H509 WeakPolarHBondContact CE2-NE2 3.22Å; F505-H509 HydrophobicContact CZ-CB 4.39Å; F505-H509 AromaticContact CZ-CD2 3.83Å; F505-H509 PolarHBondContact O-CD2 3.41Å; F505-H509 VanDerWaalsContact O-CD2 3.25Å; F505-H509 PolarHBondContact O-N 3.06Å; F505-H509 VanDerWaalsContact O-N 3.12Å; F505-H510 AromaticContact CE1-NE2 3.82Å
506C97.6Very high95.8Very high0 Ų022 Ų220%011%0.111CC..Hα-helixtrans-57.7-39.4176.6-64.60000112.7Y465 L502 L503 E508 H509 H510 I514Y465-C506 WeakPolarHBondContact OH-CB 3.43Å; L502-C506 PolarHBondContact O-N 3.31Å; L502-C506 PolarHBondContact O-SG 3.32Å; L503-C506 WeakPolarHBondContact O-CB 3.42Å; L503-C506 PolarHBondContact O-N 2.82Å; C506-E508 PolarHBondContact O-N 3.3Å; C506-H509 PolarHBondContact O-N 3.27Å; C506-H510 WeakPolarHBondContact O-CB 3.32Å; C506-H510 PolarHBondContact O-N 3.28Å; C506-H510 PolarHBondContact SG-CE1 3.17Å; C506-I514 HydrophobicContact CB-CB 4.34Å; C506-I514 HydrophobicContact CB-CD1 3.81Å; C506-I514 HydrophobicContact CB-CG1 3.96Å; C506-I514 WeakPolarHBondContact O-CG2 3.45Å
507V96.9Very high95.8Very high3 Ų323 Ų232%0.01811%0.114CC..Hα-helixtrans-58.4-36.2175.71680000111.7L503 T504 F505 I514 I518 F545 R548 I549 L552L503-V507 WeakPolarHBondContact O-CG2 3.46Å; L503-V507 PolarHBondContact O-N 3.02Å; T504-V507 WeakPolarHBondContact O-CB 3.48Å; T504-V507 PolarHBondContact O-N 3.35Å; F505-V507 VanDerWaalsContact C-N 3.28Å; F505-V507 PolarHBondContact O-N 2.85Å; V507-I514 HydrophobicContact CG2-CG1 3.81Å; V507-I518 HydrophobicContact CG2-CD1 3.52Å; V507-F545 HydrophobicContact CG2-CD2 4.31Å; V507-F545 HydrophobicContact CG2-CE2 3.56Å; V507-F545 HydrophobicContact CG2-CZ 4.06Å; V507-R548 HydrophobicContact CG1-CB 4.19Å; V507-I549 HydrophobicContact CG1-CG1 3.81Å; V507-I549 HydrophobicContact CG2-CG1 4.04Å; V507-L552 HydrophobicContact CG1-CD1 3.86Å
508E94.2Very high95.8Very high76 Ų7622.4 Ų22.436%0.35511%0.11SC..Hα-helixtrans-78.5-32.9-178.1-67.9178.4-16200112.7T504 F505 C506 R548T504-E508 PolarHBondContact O-N 3.43Å; F505-E508 PolarHBondContact O-N 3.19Å; C506-E508 PolarHBondContact O-N 3.3Å; E508-R548 WeakPolarHBondContact OE1-CD 3.26Å; E508-R548 WeakPolarHBondContact OE1-CG 3.37Å; E508-R548 IonicContact OE1-CZ 2.82Å; E508-R548 IonicContact OE1-NE 2.53Å; E508-R548 PolarHBondContact OE1-NE 3.44Å; E508-R548 IonicContact OE1-NH1 3.32Å; E508-R548 PolarHBondContact OE1-NH1 3.31Å; E508-R548 IonicContact OE1-NH2 3.24Å; E508-R548 IonicContact OE2-CZ 3.33Å; E508-R548 IonicContact OE2-NH1 3.89Å; E508-R548 PolarHBondContact OE2-NH1 3.19Å; E508-R548 VanDerWaalsContact OE2-NH1 3.12Å
509H93.8Very high95.7Very high55 Ų5524 Ų2426%0.25512%0.118SC..Hα-helixtrans-116.4-24.2-165.7-64.6-83.9000115.4P445 F505 C506P445-H509 HydrophobicContact CG-CB 4.03Å; F505-H509 AromaticContact CD2-CD2 3.32Å; F505-H509 WeakPolarHBondContact CD2-CD2 3.31Å; F505-H509 AromaticContact CD2-NE2 3.68Å; F505-H509 AromaticContact CE2-CD2 3.21Å; F505-H509 WeakPolarHBondContact CE2-CD2 3.33Å; F505-H509 AromaticContact CE2-CG 3.9Å; F505-H509 AromaticContact CE2-NE2 3.47Å; F505-H509 WeakPolarHBondContact CE2-NE2 3.22Å; F505-H509 HydrophobicContact CZ-CB 4.39Å; F505-H509 AromaticContact CZ-CD2 3.83Å; F505-H509 PolarHBondContact O-CD2 3.41Å; F505-H509 VanDerWaalsContact O-CD2 3.25Å; F505-H509 PolarHBondContact O-N 3.06Å; F505-H509 VanDerWaalsContact O-N 3.12Å; C506-H509 PolarHBondContact O-N 3.27Å
510H93.8Very high95.5Very high0 Ų030.1 Ų30.10%015%0.15CC..  trans-99.113-168.5-59.1-171000114L443 Y465 F505 C506 Y512 H513 I514L443-H510 PolarHBondContact O-NE2 3.46Å; L443-H510 VanDerWaalsContact O-NE2 3.08Å; Y465-H510 HydrophobicContact CE2-CB 4.16Å; Y465-H510 AromaticContact CE2-ND1 3.44Å; Y465-H510 WeakPolarHBondContact CE2-ND1 3.34Å; Y465-H510 AromaticContact CZ-ND1 3.68Å; Y465-H510 WeakPolarHBondContact OH-CB 3.39Å; Y465-H510 PolarHBondContact OH-ND1 2.89Å; F505-H510 AromaticContact CE1-NE2 3.82Å; C506-H510 WeakPolarHBondContact O-CB 3.32Å; C506-H510 PolarHBondContact O-N 3.28Å; C506-H510 PolarHBondContact SG-CE1 3.17Å; H510-Y512 PolarHBondContact O-N 3.48Å; H510-Y512 VanDerWaalsContact O-N 3.08Å; H510-H513 PolarHBondContact O-N 3.28Å; H510-I514 HydrophobicContact CB-CB 4.18Å; H510-I514 HydrophobicContact CB-CG2 4.24Å
511T91Very high95.3Very high75 Ų7535.3 Ų35.346%0.4617%0.173SC..Hα-helixtrans44.1-108.3171.962.50000114.4I514T511-I514 WeakPolarHBondContact O-CG2 3.47Å
512Y89.9Confident95.2Very high40 Ų4034.3 Ų34.316%0.15717%0.17CC..Hα-helixtrans-80.3-30.2-174.569.3-94.3000113.1H510 I514 K515 N516 E666H510-Y512 PolarHBondContact O-N 3.48Å; H510-Y512 VanDerWaalsContact O-N 3.08Å; Y512-I514 PolarHBondContact O-N 2.94Å; Y512-K515 PolarHBondContact O-N 3.45Å; Y512-N516 VanDerWaalsContact O-CG 3.28Å; Y512-N516 PolarHBondContact O-N 3.47Å; Y512-E666 HydrophobicContact CD1-CG 4.31Å
513H93.4Very high95.2Very high14 Ų1434.2 Ų34.27%0.06517%0.17CC..Hα-helixtrans-60.5-50.6-178-60.3-81.6000111.4S462 Y465 H510 K515 Y517S462-H513 PolarHBondContact OG-CE1 2.74Å; Y465-H513 HydrophobicContact CD1-CB 4.42Å; Y465-H513 HydrophobicContact CD2-CB 3.54Å; Y465-H513 HydrophobicContact CE1-CB 4.35Å; Y465-H513 HydrophobicContact CE2-CB 3.44Å; Y465-H513 VanDerWaalsContact CE2-CB 3.44Å; Y465-H513 HydrophobicContact CG-CB 4.04Å; H510-H513 PolarHBondContact O-N 3.28Å; H513-K515 VanDerWaalsContact C-N 3.31Å; H513-K515 PolarHBondContact O-N 3.29Å; H513-Y517 WeakPolarHBondContact O-CB 3.16Å; H513-Y517 PolarHBondContact O-N 2.66Å; H513-Y517 VanDerWaalsContact O-N 3.13Å
514I96.3Very high95.2Very high1 Ų134.2 Ų34.21%0.00517%0.17CC..Hα-helixtrans-64.9-36.9176.8-17054.8000111.9Y465 M469 C506 V507 H510 T511 Y512 Y517 I518Y465-I514 HydrophobicContact CE1-CB 4.34Å; Y465-I514 HydrophobicContact CE1-CD1 4.06Å; Y465-I514 WeakPolarHBondContact OH-CA 3.47Å; Y465-I514 WeakPolarHBondContact OH-CB 3.37Å; Y465-I514 WeakPolarHBondContact OH-CD1 3.21Å; Y465-I514 PolarHBondContact OH-N 2.88Å; M469-I514 HydrophobicContact CE-CD1 4.36Å; C506-I514 HydrophobicContact CB-CB 4.34Å; C506-I514 HydrophobicContact CB-CD1 3.81Å; C506-I514 HydrophobicContact CB-CG1 3.96Å; C506-I514 WeakPolarHBondContact O-CG2 3.45Å; V507-I514 HydrophobicContact CG2-CG1 3.81Å; H510-I514 HydrophobicContact CB-CB 4.18Å; H510-I514 HydrophobicContact CB-CG2 4.24Å; T511-I514 WeakPolarHBondContact O-CG2 3.47Å; Y512-I514 PolarHBondContact O-N 2.94Å; I514-Y517 PolarHBondContact O-N 3.26Å; I514-I518 HydrophobicContact CD1-CD1 3.97Å; I514-I518 HydrophobicContact CD1-CG1 3.99Å; I514-I518 HydrophobicContact CG1-CD1 3.67Å; I514-I518 HydrophobicContact CG1-CG1 4.13Å; I514-I518 WeakPolarHBondContact O-CB 3.48Å; I514-I518 VanDerWaalsContact O-CG1 3.3Å; I514-I518 WeakPolarHBondContact O-CG1 3.41Å; I514-I518 PolarHBondContact O-N 3.21Å
515K95.5Very high95.1Very high35 Ų3538.5 Ų38.515%0.15218%0.184CC..Hα-helixtrans-63-49.2-179.4178.7171.157.6176.50111.5Y512 H513 Y517 I518 I519 D554 F556 Y557Y512-K515 PolarHBondContact O-N 3.45Å; H513-K515 VanDerWaalsContact C-N 3.31Å; H513-K515 PolarHBondContact O-N 3.29Å; K515-Y517 VanDerWaalsContact C-N 3.29Å; K515-Y517 PolarHBondContact O-N 3Å; K515-I518 PolarHBondContact O-N 2.64Å; K515-I519 HydrophobicContact CG-CD1 3.83Å; K515-I519 WeakPolarHBondContact O-CG1 3.43Å; K515-I519 PolarHBondContact O-N 3.25Å; K515-I519 VanDerWaalsContact O-N 3.07Å; K515-D554 WeakPolarHBondContact CD-OD2 3.25Å; K515-D554 IonicContact NZ-OD2 3.39Å; K515-D554 PolarHBondContact NZ-OD2 3.2Å; K515-F556 HydrophobicContact CD-CB 4.45Å; K515-Y557 WeakPolarHBondContact CA-OH 3.41Å; K515-Y557 HydrophobicContact CB-CE1 4.36Å; K515-Y557 HydrophobicContact CB-CE2 4.12Å; K515-Y557 WeakPolarHBondContact CB-OH 3.4Å; K515-Y557 HydrophobicContact CD-CD2 4.37Å; K515-Y557 HydrophobicContact CD-CE2 4.04Å; K515-Y557 HydrophobicContact CG-CE1 4.01Å; K515-Y557 HydrophobicContact CG-CE2 3.95Å
516N93.6Very high95.1Very high32 Ų3241.4 Ų41.417%0.17120%0.195CC..Hα-helixtrans-61-42.9177.4-67.7-11.5000110.4Y512 I519 N520 W669Y512-N516 VanDerWaalsContact O-CG 3.28Å; Y512-N516 PolarHBondContact O-N 3.47Å; N516-I519 PolarHBondContact O-N 2.82Å; N516-N520 WeakPolarHBondContact O-CB 3.48Å; N516-N520 PolarHBondContact O-N 2.82Å; N516-N520 PolarHBondContact O-ND2 3.42Å; N516-W669 VanDerWaalsContact ND2-CZ3 3.3Å; N516-W669 WeakPolarHBondContact ND2-CZ3 3.32Å
517Y96.4Very high95.1Very high22 Ų2241.4 Ų41.49%0.08620%0.195CC..Hα-helixtrans-62.5-48.7178-167.5-99.9000113Y465 M469 S473 H513 I514 K515 I519 N520 K521 I523Y465-Y517 HydrophobicContact CD1-CD2 4.19Å; Y465-Y517 HydrophobicContact CD1-CG 4.04Å; Y465-Y517 HydrophobicContact CE1-CG 4.19Å; M469-Y517 HydrophobicContact CB-CE2 4.23Å; M469-Y517 HydrophobicContact CG-CD1 3.77Å; M469-Y517 HydrophobicContact CG-CD2 3.95Å; M469-Y517 HydrophobicContact CG-CE1 3.48Å; M469-Y517 VanDerWaalsContact CG-CE1 3.48Å; M469-Y517 HydrophobicContact CG-CE2 3.67Å; M469-Y517 HydrophobicContact CG-CG 4Å; M469-Y517 VanDerWaalsContact CG-CZ 3.44Å; M469-Y517 PolarHBondContact O-OH 3.2Å; M469-Y517 HydrophobicContact SD-CD1 4.49Å; M469-Y517 HydrophobicContact SD-CE1 4.25Å; S473-Y517 PolarHBondContact OG-OH 2.98Å; H513-Y517 WeakPolarHBondContact O-CB 3.16Å; H513-Y517 PolarHBondContact O-N 2.66Å; H513-Y517 VanDerWaalsContact O-N 3.13Å; I514-Y517 PolarHBondContact O-N 3.26Å; K515-Y517 VanDerWaalsContact C-N 3.29Å; K515-Y517 PolarHBondContact O-N 3Å; Y517-I519 VanDerWaalsContact C-N 3.32Å; Y517-I519 PolarHBondContact O-N 2.91Å; Y517-N520 PolarHBondContact O-N 3.41Å; Y517-K521 HydrophobicContact CD2-CG 4.29Å; Y517-K521 HydrophobicContact CE2-CG 3.9Å; Y517-K521 WeakPolarHBondContact O-CB 3.43Å; Y517-K521 PolarHBondContact O-N 2.89Å; Y517-I523 HydrophobicContact CD1-CD1 4.31Å; Y517-I523 HydrophobicContact CD1-CG1 3.86Å; Y517-I523 HydrophobicContact CE1-CD1 3.67Å; Y517-I523 HydrophobicContact CE1-CG1 3.75Å
518I96.9Very high95.1Very high0 Ų041.3 Ų41.30%019%0.194CC..Hα-helixtrans-60.4-42.8-179.8-73.2173.1000111.6V507 I514 K515 D522 I523 L524 F545 I549 Y557 Y560V507-I518 HydrophobicContact CG2-CD1 3.52Å; I514-I518 HydrophobicContact CD1-CD1 3.97Å; I514-I518 HydrophobicContact CD1-CG1 3.99Å; I514-I518 HydrophobicContact CG1-CD1 3.67Å; I514-I518 HydrophobicContact CG1-CG1 4.13Å; I514-I518 WeakPolarHBondContact O-CB 3.48Å; I514-I518 VanDerWaalsContact O-CG1 3.3Å; I514-I518 WeakPolarHBondContact O-CG1 3.41Å; I514-I518 PolarHBondContact O-N 3.21Å; K515-I518 PolarHBondContact O-N 2.64Å; I518-D522 CarbonylContact O-C 3.56Å; I518-D522 WeakPolarHBondContact O-CA 3.48Å; I518-D522 PolarHBondContact O-N 3.47Å; I518-I523 HydrophobicContact CB-CB 4.39Å; I518-I523 HydrophobicContact CG1-CB 4.13Å; I518-I523 HydrophobicContact CG1-CG2 4.45Å; I518-I523 HydrophobicContact CG2-CB 4.42Å; I518-I523 PolarHBondContact O-N 3.3Å; I518-L524 HydrophobicContact CG2-CB 4.18Å; I518-F545 HydrophobicContact CD1-CE1 4.47Å; I518-F545 HydrophobicContact CD1-CE2 4.34Å; I518-F545 HydrophobicContact CD1-CZ 3.65Å; I518-F545 HydrophobicContact CG1-CZ 4.24Å; I518-I549 HydrophobicContact CD1-CD1 3.98Å; I518-I549 HydrophobicContact CD1-CG1 4.49Å; I518-I549 HydrophobicContact CG2-CD1 4.46Å; I518-Y557 HydrophobicContact CB-CE1 4.23Å; I518-Y557 HydrophobicContact CD1-CE1 4.35Å; I518-Y557 HydrophobicContact CG2-CE1 4Å; I518-Y560 HydrophobicContact CG2-CE1 4.26Å
519I94.8Very high95.3Very high48 Ų4838.7 Ų38.725%0.24618%0.184CC..Hα-helixtrans-73.3-45.2-177.8-65.7171.9000110.5K515 N516 Y517 F556 Y557 Y560K515-I519 HydrophobicContact CG-CD1 3.83Å; K515-I519 WeakPolarHBondContact O-CG1 3.43Å; K515-I519 PolarHBondContact O-N 3.25Å; K515-I519 VanDerWaalsContact O-N 3.07Å; N516-I519 PolarHBondContact O-N 2.82Å; Y517-I519 VanDerWaalsContact C-N 3.32Å; Y517-I519 PolarHBondContact O-N 2.91Å; I519-F556 HydrophobicContact CD1-CB 4.49Å; I519-Y557 HydrophobicContact CG1-CE1 4.49Å; I519-Y560 HydrophobicContact CG1-CD1 4.43Å; I519-Y560 HydrophobicContact CG1-CD2 4.47Å; I519-Y560 HydrophobicContact CG1-CG 4.21Å; I519-Y560 HydrophobicContact CG2-CD2 4.37Å
520N94.3Very high95.4Very high129 Ų12936.1 Ų36.169%0.6917%0.172SC*.Hα-helixtrans-72.4-31.1-175-68.6-12.6000113.2N516 Y517N516-N520 WeakPolarHBondContact O-CB 3.48Å; N516-N520 PolarHBondContact O-N 2.82Å; N516-N520 PolarHBondContact O-ND2 3.42Å; Y517-N520 PolarHBondContact O-N 3.41Å
521K94.1Very high95.5Very high109 Ų10937 Ų3747%0.47418%0.178SC..THydrogen-bonded Turntrans-102.77.6-179.9-62-66.2-171.61760113.6Y517 I523Y517-K521 HydrophobicContact CD2-CG 4.29Å; Y517-K521 HydrophobicContact CE2-CG 3.9Å; Y517-K521 WeakPolarHBondContact O-CB 3.43Å; Y517-K521 PolarHBondContact O-N 2.89Å; K521-I523 HydrophobicContact CB-CD1 3.71Å; K521-I523 HydrophobicContact CB-CG1 3.94Å; K521-I523 PolarHBondContact O-N 2.94Å; K521-I523 VanDerWaalsContact O-N 3.17Å
522D95.1Very high95.7Very high61 Ų6135.8 Ų35.833%0.32618%0.175SC..THydrogen-bonded Turntrans51.135.6-176.9-78.3-38000113.6I518 L524 R525 R526 Y560I518-D522 CarbonylContact O-C 3.56Å; I518-D522 WeakPolarHBondContact O-CA 3.48Å; I518-D522 PolarHBondContact O-N 3.47Å; D522-L524 VanDerWaalsContact C-N 3.34Å; D522-L524 PolarHBondContact O-N 2.86Å; D522-R525 HydrophobicContact CB-CB 4.36Å; D522-R525 WeakPolarHBondContact O-CB 3.42Å; D522-R525 PolarHBondContact O-N 3.47Å; D522-R526 PolarHBondContact O-N 2.97Å; D522-Y560 WeakPolarHBondContact CA-OH 3.44Å; D522-Y560 WeakPolarHBondContact OD1-CE2 3.23Å
523I97.4Very high95.9Very high0 Ų034.6 Ų34.60%017%0.173CC..Hα-helixtrans-57.3-45.5-171.1-61.3-59.7000111.5L476 L477 L503 Y517 I518 K521 R525 R526 V527 F545L476-I523 HydrophobicContact CD2-CG2 4.33Å; L477-I523 HydrophobicContact CD2-CD1 3.96Å; L503-I523 HydrophobicContact CD1-CG2 4.37Å; Y517-I523 HydrophobicContact CD1-CD1 4.31Å; Y517-I523 HydrophobicContact CD1-CG1 3.86Å; Y517-I523 HydrophobicContact CE1-CD1 3.67Å; Y517-I523 HydrophobicContact CE1-CG1 3.75Å; I518-I523 HydrophobicContact CB-CB 4.39Å; I518-I523 HydrophobicContact CG1-CB 4.13Å; I518-I523 HydrophobicContact CG1-CG2 4.45Å; I518-I523 HydrophobicContact CG2-CB 4.42Å; I518-I523 PolarHBondContact O-N 3.3Å; K521-I523 HydrophobicContact CB-CD1 3.71Å; K521-I523 HydrophobicContact CB-CG1 3.94Å; K521-I523 PolarHBondContact O-N 2.94Å; K521-I523 VanDerWaalsContact O-N 3.17Å; I523-R525 VanDerWaalsContact C-N 3.27Å; I523-R525 PolarHBondContact O-N 3.38Å; I523-R526 WeakPolarHBondContact O-CA 3.37Å; I523-R526 WeakPolarHBondContact O-CB 3.5Å; I523-R526 PolarHBondContact O-N 2.86Å; I523-V527 HydrophobicContact CG2-CG2 3.97Å; I523-V527 WeakPolarHBondContact O-CG2 3.47Å; I523-V527 PolarHBondContact O-N 3.48Å; I523-F545 HydrophobicContact CG2-CE1 4.36Å; I523-F545 HydrophobicContact CG2-CZ 4.18Å
524L97.7Very high95.9Very high0 Ų041 Ų410%020%0.202CC..Hα-helixtrans-59.8-37.4-179.5179.956.4000112.5I518 D522 R526 V527 L528 F545 M546 I549 Y560 I561 L566I518-L524 HydrophobicContact CG2-CB 4.18Å; D522-L524 VanDerWaalsContact C-N 3.34Å; D522-L524 PolarHBondContact O-N 2.86Å; L524-R526 VanDerWaalsContact C-N 3.31Å; L524-R526 PolarHBondContact O-N 3.3Å; L524-V527 PolarHBondContact O-N 3.14Å; L524-L528 HydrophobicContact CD1-CD1 4.07Å; L524-L528 HydrophobicContact CD1-CG 4.03Å; L524-L528 HydrophobicContact CG-CD1 4.02Å; L524-L528 HydrophobicContact CG-CG 4.44Å; L524-L528 WeakPolarHBondContact O-CB 3.29Å; L524-L528 WeakPolarHBondContact O-CG 3.42Å; L524-L528 PolarHBondContact O-N 3.39Å; L524-F545 HydrophobicContact CB-CE1 4.41Å; L524-F545 HydrophobicContact CD1-CD1 3.83Å; L524-F545 HydrophobicContact CD1-CE1 3.99Å; L524-M546 HydrophobicContact CD1-CB 3.85Å; L524-M546 HydrophobicContact CD1-CG 4.07Å; L524-M546 HydrophobicContact CD2-CG 4.46Å; L524-I549 HydrophobicContact CB-CD1 4.37Å; L524-I549 HydrophobicContact CD1-CD1 4.03Å; L524-I549 HydrophobicContact CD2-CD1 4.04Å; L524-I549 HydrophobicContact CG-CD1 4.37Å; L524-Y560 HydrophobicContact CB-CE1 3.89Å; L524-Y560 HydrophobicContact CD2-CE1 4.12Å; L524-I561 HydrophobicContact CD2-CD1 4.16Å; L524-I561 HydrophobicContact CD2-CG1 3.79Å; L524-L566 HydrophobicContact CB-CD1 4.16Å; L524-L566 HydrophobicContact CD2-CD1 3.71Å; L524-L566 HydrophobicContact CG-CD1 3.87Å
525R96.4Very high95.8Very high101 Ų10142.5 Ų42.538%0.38121%0.209SC..Hα-helixtrans-61.4-45176.1-178.7-173.7-72-79.84.3110.2D522 I523 L528 N564 L566D522-R525 HydrophobicContact CB-CB 4.36Å; D522-R525 WeakPolarHBondContact O-CB 3.42Å; D522-R525 PolarHBondContact O-N 3.47Å; I523-R525 VanDerWaalsContact C-N 3.27Å; I523-R525 PolarHBondContact O-N 3.38Å; R525-L528 PolarHBondContact O-N 2.87Å; R525-N564 VanDerWaalsContact NH2-CG 3.31Å; R525-N564 PolarHBondContact NH2-O 3.21Å; R525-N564 PolarHBondContact NH2-OD1 3.29Å; R525-L566 HydrophobicContact CB-CD2 3.86Å; R525-L566 HydrophobicContact CG-CD2 4.14Å
526R97.1Very high95.7Very high69 Ų6943.3 Ų43.326%0.2622%0.222SC..Hα-helixtrans-63.5-46.7178.1-63.8-68.1-175.7-166.84111.6L477 T480 T481 D522 I523 L524 L528 V529L477-R526 HydrophobicContact CD2-CB 4.16Å; L477-R526 HydrophobicContact CD2-CG 3.71Å; T480-R526 WeakPolarHBondContact CB-O 3.19Å; T480-R526 WeakPolarHBondContact CG2-O 3.41Å; T480-R526 WeakPolarHBondContact O-CD 3.27Å; T480-R526 PolarHBondContact O-NH1 3.43Å; T480-R526 WeakPolarHBondContact OG1-CB 3.41Å; T480-R526 WeakPolarHBondContact OG1-CD 3.5Å; T481-R526 PolarHBondContact O-NH1 3.5Å; D522-R526 PolarHBondContact O-N 2.97Å; I523-R526 WeakPolarHBondContact O-CA 3.37Å; I523-R526 WeakPolarHBondContact O-CB 3.5Å; I523-R526 PolarHBondContact O-N 2.86Å; L524-R526 VanDerWaalsContact C-N 3.31Å; L524-R526 PolarHBondContact O-N 3.3Å; R526-L528 VanDerWaalsContact C-N 3.29Å; R526-L528 PolarHBondContact O-N 3.22Å; R526-V529 VanDerWaalsContact O-CB 3.31Å; R526-V529 WeakPolarHBondContact O-CB 3.42Å; R526-V529 PolarHBondContact O-N 2.88Å
527V98.1Very high95.8Very high0 Ų045.2 Ų45.20%023%0.229CC..Hα-helixtrans-58.4-40.2175.5173.60000112L476 L500 I523 L524 V529 L530 A542 F545L476-V527 HydrophobicContact CD1-CG2 4.33Å; L476-V527 HydrophobicContact CD2-CG2 3.77Å; L500-V527 HydrophobicContact CD1-CG1 4.28Å; L500-V527 HydrophobicContact CD2-CB 4.13Å; L500-V527 HydrophobicContact CD2-CG1 3.58Å; L500-V527 HydrophobicContact CD2-CG2 3.46Å; L500-V527 VanDerWaalsContact CD2-CG2 3.46Å; I523-V527 HydrophobicContact CG2-CG2 3.97Å; I523-V527 WeakPolarHBondContact O-CG2 3.47Å; I523-V527 PolarHBondContact O-N 3.48Å; L524-V527 PolarHBondContact O-N 3.14Å; V527-V529 PolarHBondContact O-N 2.91Å; V527-L530 VanDerWaalsContact O-CB 3.23Å; V527-L530 WeakPolarHBondContact O-CB 3.44Å; V527-L530 WeakPolarHBondContact O-CG 3.31Å; V527-L530 PolarHBondContact O-N 2.92Å; V527-A542 HydrophobicContact CG1-CB 3.71Å; V527-A542 WeakPolarHBondContact O-CB 3.23Å; V527-F545 HydrophobicContact CB-CD1 4.02Å; V527-F545 HydrophobicContact CB-CE1 4.29Å; V527-F545 HydrophobicContact CG1-CB 4.21Å; V527-F545 HydrophobicContact CG1-CD1 3.72Å; V527-F545 HydrophobicContact CG1-CE1 4.46Å; V527-F545 HydrophobicContact CG1-CG 4.22Å; V527-F545 HydrophobicContact CG2-CD1 3.95Å; V527-F545 HydrophobicContact CG2-CE1 3.88Å
528L97.7Very high95.9Very high0 Ų044.2 Ų44.20%023%0.225CC..Hα-helixtrans-68.7-18.9-177.6-73.9169.9000114.1L524 R525 R526 L530 T531 M546 L566 P569 V570L524-L528 HydrophobicContact CD1-CD1 4.07Å; L524-L528 HydrophobicContact CD1-CG 4.03Å; L524-L528 HydrophobicContact CG-CD1 4.02Å; L524-L528 HydrophobicContact CG-CG 4.44Å; L524-L528 WeakPolarHBondContact O-CB 3.29Å; L524-L528 WeakPolarHBondContact O-CG 3.42Å; L524-L528 PolarHBondContact O-N 3.39Å; R525-L528 PolarHBondContact O-N 2.87Å; R526-L528 VanDerWaalsContact C-N 3.29Å; R526-L528 PolarHBondContact O-N 3.22Å; L528-L530 PolarHBondContact O-N 3.25Å; L528-T531 HydrophobicContact CD2-CG2 4.14Å; L528-T531 WeakPolarHBondContact O-CB 3.38Å; L528-T531 WeakPolarHBondContact O-CG2 3.21Å; L528-T531 PolarHBondContact O-N 3.23Å; L528-T531 PolarHBondContact O-OG1 3.41Å; L528-M546 HydrophobicContact CD1-SD 4.1Å; L528-M546 HydrophobicContact CD2-CB 4.33Å; L528-M546 HydrophobicContact CD2-SD 3.74Å; L528-M546 HydrophobicContact CG-SD 4.49Å; L528-L566 HydrophobicContact CD1-CB 3.81Å; L528-L566 HydrophobicContact CD1-CD2 4.47Å; L528-L566 WeakPolarHBondContact CD1-O 3.38Å; L528-P569 HydrophobicContact CB-CB 3.99Å; L528-P569 HydrophobicContact CB-CG 4.06Å; L528-P569 HydrophobicContact CD1-CG 4.48Å; L528-V570 HydrophobicContact CD2-CG2 3.96Å
529V97.1Very high95.8Very high22 Ų2244.3 Ų44.313%0.13323%0.226CC..Hα-helixtrans-58.1-34.4168.8175.10000111T480 E482 K484 R526 V527 T531 A532T480-V529 HydrophobicContact CG2-CB 4.07Å; T480-V529 HydrophobicContact CG2-CG1 4.25Å; E482-V529 WeakPolarHBondContact O-CG1 3.47Å; K484-V529 VanDerWaalsContact C-CG1 3.47Å; R526-V529 VanDerWaalsContact O-CB 3.31Å; R526-V529 WeakPolarHBondContact O-CB 3.42Å; R526-V529 PolarHBondContact O-N 2.88Å; V527-V529 PolarHBondContact O-N 2.91Å; V529-T531 PolarHBondContact O-N 2.98Å; V529-T531 VanDerWaalsContact O-N 3.16Å; V529-A532 WeakPolarHBondContact O-CB 3.38Å; V529-A532 PolarHBondContact O-N 3.37Å; V529-A532 VanDerWaalsContact O-N 3.09Å
530L97.3Very high95.9Very high0 Ų043.5 Ų43.50%022%0.222CC..G310 helixtrans-68.6-13-178.7-54.7176.3000113.5L476 T480 P485 L496 L500 V527 L528 A532 S533 L538 A542L476-L530 HydrophobicContact CD1-CD1 3.62Å; L476-L530 HydrophobicContact CD1-CG 4.42Å; T480-L530 HydrophobicContact CG2-CD2 3.61Å; T480-L530 HydrophobicContact CG2-CG 3.99Å; P485-L530 HydrophobicContact CB-CD2 4.37Å; P485-L530 HydrophobicContact CG-CD2 4.06Å; L496-L530 HydrophobicContact CD1-CD2 4.05Å; L500-L530 HydrophobicContact CD1-CD1 3.81Å; L500-L530 HydrophobicContact CG-CD1 4.43Å; V527-L530 VanDerWaalsContact O-CB 3.23Å; V527-L530 WeakPolarHBondContact O-CB 3.44Å; V527-L530 WeakPolarHBondContact O-CG 3.31Å; V527-L530 PolarHBondContact O-N 2.92Å; L528-L530 PolarHBondContact O-N 3.25Å; L530-A532 PolarHBondContact O-N 3.47Å; L530-A532 VanDerWaalsContact O-N 3.16Å; L530-S533 VanDerWaalsContact O-CB 3.24Å; L530-S533 WeakPolarHBondContact O-CB 3.49Å; L530-S533 PolarHBondContact O-N 3.15Å; L530-L538 HydrophobicContact CB-CD2 4.44Å; L530-L538 HydrophobicContact CB-CG 4.27Å; L530-L538 HydrophobicContact CD1-CD1 4.16Å; L530-L538 HydrophobicContact CD1-CG 4.44Å; L530-L538 HydrophobicContact CD2-CD2 4.21Å; L530-A542 HydrophobicContact CB-CB 4.16Å
531T95.6Very high96.1Very high20 Ų2038.4 Ų38.412%0.12320%0.197CC..G310 helixtrans-63.3-16.3170.563.60000112.9L528 V529 A542 L543L528-T531 HydrophobicContact CD2-CG2 4.14Å; L528-T531 WeakPolarHBondContact O-CB 3.38Å; L528-T531 WeakPolarHBondContact O-CG2 3.21Å; L528-T531 PolarHBondContact O-N 3.23Å; L528-T531 PolarHBondContact O-OG1 3.41Å; V529-T531 PolarHBondContact O-N 2.98Å; V529-T531 VanDerWaalsContact O-N 3.16Å; T531-A542 HydrophobicContact CG2-CB 4.13Å; T531-L543 HydrophobicContact CG2-CD2 4.2Å; T531-L543 HydrophobicContact CG2-CG 4.41Å
532A94.1Very high96.3Very high49 Ų4933.2 Ų33.241%0.40517%0.174SC..G310 helixtrans-92.21.6174.300000114.3K484 V529 L530K484-A532 HydrophobicContact CG-CB 4.28Å; V529-A532 WeakPolarHBondContact O-CB 3.38Å; V529-A532 PolarHBondContact O-N 3.37Å; V529-A532 VanDerWaalsContact O-N 3.09Å; L530-A532 PolarHBondContact O-N 3.47Å; L530-A532 VanDerWaalsContact O-N 3.16Å
533S95Very high96.4Very high15 Ų1530.7 Ų30.711%0.10516%0.161CC..  trans-61.2148.8177.2173.60000111.8D488 L530 H535D488-S533 PolarHBondContact OD1-OG 3.41Å; D488-S533 WeakPolarHBondContact OD2-CA 3.45Å; D488-S533 PolarHBondContact OD2-OG 3.09Å; L530-S533 VanDerWaalsContact O-CB 3.24Å; L530-S533 WeakPolarHBondContact O-CB 3.49Å; L530-S533 PolarHBondContact O-N 3.15Å; S533-H535 PolarHBondContact O-N 3.43Å; S533-H535 PolarHBondContact OG-N 3.32Å
534Q92.7Very high96.4Very high147 Ų14737.3 Ų37.369%0.68719%0.185SC*.SBendtrans-69-19.8170.871.8-173.3-20.400112.7D488D488-Q534 PolarHBondContact O-NE2 3.08Å; D488-Q534 WeakPolarHBondContact OD2-CG 3.31Å; D488-Q534 PolarHBondContact OD2-N 3.04Å
535H95.1Very high96.4Very high34 Ų3437.3 Ų37.316%0.15719%0.185CC..  trans-91.8108.6-179.3-60.3-68.1000111D488 A493 S533 F537 L538 A539D488-H535 PolarHBondContact O-CD2 3.16Å; D488-H535 PolarHBondContact O-NE2 3.05Å; D488-H535 IonicContact OD1-CD2 3.18Å; D488-H535 PolarHBondContact OD1-CD2 2.87Å; A493-H535 HydrophobicContact CB-CB 4.22Å; A493-H535 WeakPolarHBondContact CB-CD2 3.5Å; S533-H535 PolarHBondContact O-N 3.43Å; S533-H535 PolarHBondContact OG-N 3.32Å; H535-F537 HydrophobicContact CB-CD1 3.95Å; H535-F537 HydrophobicContact CB-CE1 3.58Å; H535-F537 HydrophobicContact CB-CZ 4.06Å; H535-F537 AromaticContact CG-CE1 3.95Å; H535-F537 PolarHBondContact O-N 3.26Å; H535-L538 HydrophobicContact CB-CB 4.32Å; H535-L538 PolarHBondContact O-N 3.03Å; H535-L538 VanDerWaalsContact O-N 3.15Å; H535-A539 PolarHBondContact O-N 3.28Å
536A93.6Very high96.5Very high51 Ų5132.5 Ų32.542%0.42117%0.167SC..Hα-helixtrans-59.6-33.1-176.300000113.6A539 L540 L584A536-A539 PolarHBondContact O-N 3.29Å; A536-L540 WeakPolarHBondContact O-CB 3.46Å; A536-L540 VanDerWaalsContact O-CG 3.24Å; A536-L540 WeakPolarHBondContact O-CG 3.42Å; A536-L540 PolarHBondContact O-N 3.35Å; A536-L584 HydrophobicContact CB-CD1 3.97Å; A536-L584 HydrophobicContact CB-CG 4.49Å
537F95.8Very high96.5Very high73 Ų7331.4 Ų31.432%0.3216%0.163SC..Hα-helixtrans-65.1-40.3178.971-95.1000112F490 A493 A497 H535 L540 C541F490-F537 HydrophobicContact CD2-CE1 4.24Å; F490-F537 AromaticContact CE2-CE1 3.98Å; F490-F537 HydrophobicContact CE2-CE1 3.98Å; F490-F537 HydrophobicContact CE2-CZ 4.36Å; A493-F537 HydrophobicContact CB-CE2 4.29Å; A493-F537 HydrophobicContact CB-CZ 3.76Å; A497-F537 HydrophobicContact CB-CD2 4.19Å; A497-F537 HydrophobicContact CB-CE2 4.02Å; H535-F537 HydrophobicContact CB-CD1 3.95Å; H535-F537 HydrophobicContact CB-CE1 3.58Å; H535-F537 HydrophobicContact CB-CZ 4.06Å; H535-F537 AromaticContact CG-CE1 3.95Å; H535-F537 PolarHBondContact O-N 3.26Å; F537-L540 WeakPolarHBondContact O-CB 3.42Å; F537-L540 PolarHBondContact O-N 2.73Å; F537-C541 PolarHBondContact O-N 3.16Å; F537-C541 PolarHBondContact O-SG 3.04Å; F537-C541 VanDerWaalsContact O-SG 3.37Å
538L97.2Very high96.4Very high0 Ų036.8 Ų36.80%018%0.183CC..Hα-helixtrans-67.9-43.6178.3-179.461.2000111.2A493 L496 A497 L500 L530 H535 L540 C541 A542A493-L538 HydrophobicContact CB-CB 4.48Å; A493-L538 HydrophobicContact CB-CD2 3.89Å; L496-L538 HydrophobicContact CB-CD1 3.82Å; L496-L538 HydrophobicContact CB-CD2 4.42Å; L496-L538 HydrophobicContact CD1-CD2 4.38Å; A497-L538 HydrophobicContact CB-CD1 4.2Å; L500-L538 HydrophobicContact CD1-CD1 4Å; L530-L538 HydrophobicContact CB-CD2 4.44Å; L530-L538 HydrophobicContact CB-CG 4.27Å; L530-L538 HydrophobicContact CD1-CD1 4.16Å; L530-L538 HydrophobicContact CD1-CG 4.44Å; L530-L538 HydrophobicContact CD2-CD2 4.21Å; H535-L538 HydrophobicContact CB-CB 4.32Å; H535-L538 PolarHBondContact O-N 3.03Å; H535-L538 VanDerWaalsContact O-N 3.15Å; L538-L540 VanDerWaalsContact C-N 3.26Å; L538-L540 PolarHBondContact O-N 3.23Å; L538-C541 WeakPolarHBondContact O-CB 3.44Å; L538-C541 PolarHBondContact O-N 3.13Å; L538-C541 VanDerWaalsContact O-N 3.1Å; L538-A542 PolarHBondContact O-N 2.65Å
539A96.3Very high96.4Very high3 Ų336.8 Ų36.83%0.02518%0.183CC..Hα-helixtrans-59.9-37.5174.100000111.9H535 A536 A542 L543 L584H535-A539 PolarHBondContact O-N 3.28Å; A536-A539 PolarHBondContact O-N 3.29Å; A539-A542 PolarHBondContact O-N 2.63Å; A539-L543 WeakPolarHBondContact O-CG 3.47Å; A539-L543 PolarHBondContact O-N 2.87Å; A539-L543 VanDerWaalsContact O-N 3.08Å; A539-L584 HydrophobicContact CB-CD2 3.78Å
540L96.6Very high96.4Very high31 Ų3135.7 Ų35.716%0.16218%0.177CC..Hα-helixtrans-66.1-38.1173.2-73.8166000112.6A536 F537 L538 L543 R544 L583 L584 A587A536-L540 WeakPolarHBondContact O-CB 3.46Å; A536-L540 VanDerWaalsContact O-CG 3.24Å; A536-L540 WeakPolarHBondContact O-CG 3.42Å; A536-L540 PolarHBondContact O-N 3.35Å; F537-L540 WeakPolarHBondContact O-CB 3.42Å; F537-L540 PolarHBondContact O-N 2.73Å; L538-L540 VanDerWaalsContact C-N 3.26Å; L538-L540 PolarHBondContact O-N 3.23Å; L540-L543 PolarHBondContact O-N 3.33Å; L540-R544 WeakPolarHBondContact O-CB 3.22Å; L540-R544 PolarHBondContact O-N 3.03Å; L540-L583 HydrophobicContact CD1-CB 4.38Å; L540-L583 HydrophobicContact CD1-CD2 3.5Å; L540-L583 HydrophobicContact CD1-CG 3.81Å; L540-L583 HydrophobicContact CD2-CG 4.04Å; L540-L584 HydrophobicContact CD2-CD2 3.74Å; L540-L584 HydrophobicContact CD2-CG 4.27Å; L540-L584 HydrophobicContact CG-CD2 3.66Å; L540-L584 HydrophobicContact CG-CG 4.24Å; L540-A587 HydrophobicContact CD2-CB 3.66Å
541C97.8Very high96.3Very high22 Ų2236.8 Ų36.815%0.14919%0.188CC..Hα-helixtrans-61.6-43.4173.6-69.60000111.5L500 F537 L538 L543 R544 F545L500-C541 HydrophobicContact CB-CB 4.28Å; L500-C541 HydrophobicContact CD1-CB 3.77Å; F537-C541 PolarHBondContact O-N 3.16Å; F537-C541 PolarHBondContact O-SG 3.04Å; F537-C541 VanDerWaalsContact O-SG 3.37Å; L538-C541 WeakPolarHBondContact O-CB 3.44Å; L538-C541 PolarHBondContact O-N 3.13Å; L538-C541 VanDerWaalsContact O-N 3.1Å; C541-L543 PolarHBondContact O-N 3.16Å; C541-R544 WeakPolarHBondContact O-CB 3.3Å; C541-R544 PolarHBondContact O-N 2.88Å; C541-F545 PolarHBondContact O-N 3.44Å
542A97.9Very high96.3Very high0 Ų039.7 Ų39.70%020%0.202CC..Hα-helixtrans-61.9-43.1176.300000112.6L500 V527 L530 T531 L538 A539 F545 M546L500-A542 HydrophobicContact CD1-CB 4.41Å; V527-A542 HydrophobicContact CG1-CB 3.71Å; V527-A542 WeakPolarHBondContact O-CB 3.23Å; L530-A542 HydrophobicContact CB-CB 4.16Å; T531-A542 HydrophobicContact CG2-CB 4.13Å; L538-A542 PolarHBondContact O-N 2.65Å; A539-A542 PolarHBondContact O-N 2.63Å; A542-F545 PolarHBondContact O-N 3.17Å; A542-M546 PolarHBondContact O-N 3.23Å; A542-M546 VanDerWaalsContact O-N 3.14Å
543L97.3Very high96.2Very high8 Ų841.6 Ų41.64%0.04220%0.202CC..Hα-helixtrans-64.2-41.1174.7-69.8173.7000111.8T531 A539 L540 C541 F545 M546 R547 V570 L584 A587 M588 M591T531-L543 HydrophobicContact CG2-CD2 4.2Å; T531-L543 HydrophobicContact CG2-CG 4.41Å; A539-L543 WeakPolarHBondContact O-CG 3.47Å; A539-L543 PolarHBondContact O-N 2.87Å; A539-L543 VanDerWaalsContact O-N 3.08Å; L540-L543 PolarHBondContact O-N 3.33Å; C541-L543 PolarHBondContact O-N 3.16Å; L543-F545 VanDerWaalsContact C-N 3.35Å; L543-F545 PolarHBondContact O-N 3.39Å; L543-M546 PolarHBondContact O-N 3.15Å; L543-R547 WeakPolarHBondContact O-CB 3.37Å; L543-R547 PolarHBondContact O-N 3Å; L543-V570 HydrophobicContact CD2-CG1 4.15Å; L543-V570 HydrophobicContact CD2-CG2 4.27Å; L543-L584 HydrophobicContact CD1-CD2 4.06Å; L543-A587 HydrophobicContact CD1-CB 4.22Å; L543-M588 HydrophobicContact CD1-CG 3.58Å; L543-M588 HydrophobicContact CD2-CG 4Å; L543-M588 HydrophobicContact CG-CG 4.47Å; L543-M591 HydrophobicContact CD2-CE 4.33Å
544R97.4Very high96.1Very high138 Ų13842.8 Ų42.852%0.52121%0.206SC..Hα-helixtrans-61.2-43.5176.2-172.1-175.4-61.9168.42.5111.3L540 C541 R547 R548L540-R544 WeakPolarHBondContact O-CB 3.22Å; L540-R544 PolarHBondContact O-N 3.03Å; C541-R544 WeakPolarHBondContact O-CB 3.3Å; C541-R544 PolarHBondContact O-N 2.88Å; R544-R547 WeakPolarHBondContact O-CB 3.46Å; R544-R547 PolarHBondContact O-N 3.21Å; R544-R548 WeakPolarHBondContact O-CG 3.44Å; R544-R548 PolarHBondContact O-N 3.05Å
545F98.4Very high96.1Very high0 Ų040.3 Ų40.30%020%0.195CC..Hα-helixtrans-58.5-52.4176.7-179.2-104000111.6L503 T504 V507 I518 I523 L524 V527 C541 A542 L543 R547 R548 I549L503-F545 HydrophobicContact CB-CD2 4.34Å; L503-F545 HydrophobicContact CB-CE2 3.77Å; T504-F545 WeakPolarHBondContact OG1-CD2 3.5Å; V507-F545 HydrophobicContact CG2-CD2 4.31Å; V507-F545 HydrophobicContact CG2-CE2 3.56Å; V507-F545 HydrophobicContact CG2-CZ 4.06Å; I518-F545 HydrophobicContact CD1-CE1 4.47Å; I518-F545 HydrophobicContact CD1-CE2 4.34Å; I518-F545 HydrophobicContact CD1-CZ 3.65Å; I518-F545 HydrophobicContact CG1-CZ 4.24Å; I523-F545 HydrophobicContact CG2-CE1 4.36Å; I523-F545 HydrophobicContact CG2-CZ 4.18Å; L524-F545 HydrophobicContact CB-CE1 4.41Å; L524-F545 HydrophobicContact CD1-CD1 3.83Å; L524-F545 HydrophobicContact CD1-CE1 3.99Å; V527-F545 HydrophobicContact CB-CD1 4.02Å; V527-F545 HydrophobicContact CB-CE1 4.29Å; V527-F545 HydrophobicContact CG1-CB 4.21Å; V527-F545 HydrophobicContact CG1-CD1 3.72Å; V527-F545 HydrophobicContact CG1-CE1 4.46Å; V527-F545 HydrophobicContact CG1-CG 4.22Å; V527-F545 HydrophobicContact CG2-CD1 3.95Å; V527-F545 HydrophobicContact CG2-CE1 3.88Å; C541-F545 PolarHBondContact O-N 3.44Å; A542-F545 PolarHBondContact O-N 3.17Å; L543-F545 VanDerWaalsContact C-N 3.35Å; L543-F545 PolarHBondContact O-N 3.39Å; F545-R547 VanDerWaalsContact C-N 3.3Å; F545-R547 PolarHBondContact O-N 2.92Å; F545-R548 PolarHBondContact O-N 3.37Å; F545-I549 HydrophobicContact CD1-CD1 3.98Å; F545-I549 HydrophobicContact CE1-CD1 3.55Å; F545-I549 HydrophobicContact CZ-CD1 3.88Å; F545-I549 PolarHBondContact O-N 3.39Å
546M97.8Very high96Very high0 Ų044 Ų440%021%0.211CC..Hα-helixtrans-59-42.7175.6-174.4177.5-177.200111.8L524 L528 A542 L543 R548 I549 V550 I561 F567 V570 M591L524-M546 HydrophobicContact CD1-CB 3.85Å; L524-M546 HydrophobicContact CD1-CG 4.07Å; L524-M546 HydrophobicContact CD2-CG 4.46Å; L528-M546 HydrophobicContact CD1-SD 4.1Å; L528-M546 HydrophobicContact CD2-CB 4.33Å; L528-M546 HydrophobicContact CD2-SD 3.74Å; L528-M546 HydrophobicContact CG-SD 4.49Å; A542-M546 PolarHBondContact O-N 3.23Å; A542-M546 VanDerWaalsContact O-N 3.14Å; L543-M546 PolarHBondContact O-N 3.15Å; M546-R548 VanDerWaalsContact C-N 3.31Å; M546-R548 PolarHBondContact O-N 2.73Å; M546-I549 PolarHBondContact O-N 3.26Å; M546-V550 HydrophobicContact CG-CG2 4.46Å; M546-V550 WeakPolarHBondContact O-CG2 3.46Å; M546-V550 PolarHBondContact O-N 2.68Å; M546-I561 HydrophobicContact CE-CG2 4.28Å; M546-F567 HydrophobicContact CE-CD1 3.87Å; M546-F567 HydrophobicContact CE-CD2 4.11Å; M546-F567 HydrophobicContact CE-CE1 3.76Å; M546-F567 HydrophobicContact CE-CE2 4.01Å; M546-F567 HydrophobicContact CE-CG 4.05Å; M546-F567 HydrophobicContact CE-CZ 3.83Å; M546-V570 HydrophobicContact CE-CG2 4.47Å; M546-V570 HydrophobicContact SD-CG2 3.65Å; M546-M591 HydrophobicContact CB-SD 4.25Å; M546-M591 HydrophobicContact CG-SD 3.92Å; M546-M591 HydrophobicContact SD-CE 3.92Å; M546-M591 HydrophobicContact SD-SD 3.84Å
547R96.9Very high96.1Very high46 Ų4641.7 Ų41.717%0.17419%0.191CC..Hα-helixtrans-62.3-35.9-179.8176.459.2-17775.813112.6L543 R544 F545 G551 E590 M591 Y594L543-R547 WeakPolarHBondContact O-CB 3.37Å; L543-R547 PolarHBondContact O-N 3Å; R544-R547 WeakPolarHBondContact O-CB 3.46Å; R544-R547 PolarHBondContact O-N 3.21Å; F545-R547 VanDerWaalsContact C-N 3.3Å; F545-R547 PolarHBondContact O-N 2.92Å; R547-G551 PolarHBondContact O-N 3.06Å; R547-E590 WeakPolarHBondContact CD-OE2 3.47Å; R547-E590 IonicContact CZ-OE1 3.98Å; R547-E590 IonicContact CZ-OE2 2.7Å; R547-E590 IonicContact NE-OE1 2.83Å; R547-E590 PolarHBondContact NE-OE1 3.3Å; R547-E590 IonicContact NE-OE2 3.38Å; R547-E590 PolarHBondContact NE-OE2 2.71Å; R547-E590 IonicContact NH2-OE1 2.86Å; R547-E590 PolarHBondContact NH2-OE1 3.13Å; R547-M591 HydrophobicContact CB-SD 4.48Å; R547-Y594 VanDerWaalsContact CZ-CD1 3.44Å; R547-Y594 VanDerWaalsContact NH1-CE1 3.28Å
548R97.3Very high96.1Very high113 Ų11338.3 Ų38.343%0.42618%0.176SC..Hα-helixtrans-68-43.2173.9-70.3-56.2-176.4135.8-0.5111.9T504 V507 E508 R544 F545 M546 V550 G551 L552T504-R548 HydrophobicContact CG2-CB 4.19Å; T504-R548 HydrophobicContact CG2-CG 3.61Å; V507-R548 HydrophobicContact CG1-CB 4.19Å; E508-R548 WeakPolarHBondContact OE1-CD 3.26Å; E508-R548 WeakPolarHBondContact OE1-CG 3.37Å; E508-R548 IonicContact OE1-CZ 2.82Å; E508-R548 IonicContact OE1-NE 2.53Å; E508-R548 PolarHBondContact OE1-NE 3.44Å; E508-R548 IonicContact OE1-NH1 3.32Å; E508-R548 PolarHBondContact OE1-NH1 3.31Å; E508-R548 IonicContact OE1-NH2 3.24Å; E508-R548 IonicContact OE2-CZ 3.33Å; E508-R548 IonicContact OE2-NH1 3.89Å; E508-R548 PolarHBondContact OE2-NH1 3.19Å; E508-R548 VanDerWaalsContact OE2-NH1 3.12Å; R544-R548 WeakPolarHBondContact O-CG 3.44Å; R544-R548 PolarHBondContact O-N 3.05Å; F545-R548 PolarHBondContact O-N 3.37Å; M546-R548 VanDerWaalsContact C-N 3.31Å; M546-R548 PolarHBondContact O-N 2.73Å; R548-V550 PolarHBondContact O-N 3.41Å; R548-G551 WeakPolarHBondContact O-CA 3.17Å; R548-G551 PolarHBondContact O-N 3.18Å; R548-L552 PolarHBondContact O-N 3.13Å
549I97.4Very high96Very high0 Ų044.5 Ų44.50%020%0.2CC..Hα-helixtrans-58.3-49.8174.3-65.8170.9000111.2V507 I518 L524 F545 M546 G551 L552 Y557 I561V507-I549 HydrophobicContact CG1-CG1 3.81Å; V507-I549 HydrophobicContact CG2-CG1 4.04Å; I518-I549 HydrophobicContact CD1-CD1 3.98Å; I518-I549 HydrophobicContact CD1-CG1 4.49Å; I518-I549 HydrophobicContact CG2-CD1 4.46Å; L524-I549 HydrophobicContact CB-CD1 4.37Å; L524-I549 HydrophobicContact CD1-CD1 4.03Å; L524-I549 HydrophobicContact CD2-CD1 4.04Å; L524-I549 HydrophobicContact CG-CD1 4.37Å; F545-I549 HydrophobicContact CD1-CD1 3.98Å; F545-I549 HydrophobicContact CE1-CD1 3.55Å; F545-I549 HydrophobicContact CZ-CD1 3.88Å; F545-I549 PolarHBondContact O-N 3.39Å; M546-I549 PolarHBondContact O-N 3.26Å; I549-G551 PolarHBondContact O-N 3.08Å; I549-L552 WeakPolarHBondContact O-CB 3.16Å; I549-L552 PolarHBondContact O-N 3.45Å; I549-Y557 HydrophobicContact CG2-CD1 3.57Å; I549-Y557 HydrophobicContact CG2-CD2 3.88Å; I549-Y557 HydrophobicContact CG2-CE1 4Å; I549-Y557 HydrophobicContact CG2-CE2 4.31Å; I549-Y557 HydrophobicContact CG2-CG 3.49Å; I549-Y557 VanDerWaalsContact CG2-CG 3.49Å; I549-I561 HydrophobicContact CG2-CD1 4.27Å
550V97Very high96Very high0 Ų045.1 Ų45.10%020%0.202CC..Hα-helixtrans-61.5-33.5176.3173.30000111.3M546 R548 L552 K553 I561 Y594 V595 I600 L603M546-V550 HydrophobicContact CG-CG2 4.46Å; M546-V550 WeakPolarHBondContact O-CG2 3.46Å; M546-V550 PolarHBondContact O-N 2.68Å; R548-V550 PolarHBondContact O-N 3.41Å; V550-L552 PolarHBondContact O-N 3.32Å; V550-K553 PolarHBondContact O-N 2.89Å; V550-K553 VanDerWaalsContact O-N 3.15Å; V550-I561 HydrophobicContact CG2-CD1 3.99Å; V550-Y594 HydrophobicContact CG1-CD1 4.19Å; V550-Y594 HydrophobicContact CG1-CE1 4.42Å; V550-V595 HydrophobicContact CG1-CG2 3.87Å; V550-I600 HydrophobicContact CG1-CD1 3.64Å; V550-L603 HydrophobicContact CG1-CD1 3.89Å; V550-L603 HydrophobicContact CG2-CD1 4.1Å
551G95.9Very high96Very high22 Ų2243.7 Ų43.723%0.22719%0.194CC..Hα-helixtrans-60.3-28176.600000114.8R547 R548 I549 K553 Y594R547-G551 PolarHBondContact O-N 3.06Å; R548-G551 WeakPolarHBondContact O-CA 3.17Å; R548-G551 PolarHBondContact O-N 3.18Å; I549-G551 PolarHBondContact O-N 3.08Å; G551-K553 PolarHBondContact O-N 2.9Å; G551-Y594 PolarHBondContact O-OH 3.1Å
552L94Very high96Very high82 Ų8244.7 Ų44.743%0.42920%0.197SC..THydrogen-bonded Turntrans-69.9-22177.5-62.2176.4000112.7V507 R548 I549 V550 D554 Y557V507-L552 HydrophobicContact CG1-CD1 3.86Å; R548-L552 PolarHBondContact O-N 3.13Å; I549-L552 WeakPolarHBondContact O-CB 3.16Å; I549-L552 PolarHBondContact O-N 3.45Å; V550-L552 PolarHBondContact O-N 3.32Å; L552-D554 HydrophobicContact CB-CB 4.5Å; L552-D554 PolarHBondContact O-N 3.11Å; L552-D554 VanDerWaalsContact O-N 3.16Å; L552-Y557 HydrophobicContact CD1-CD2 4.13Å; L552-Y557 HydrophobicContact CD1-CE2 3.61Å
553K93.4Very high95.9Very high89 Ų8954.6 Ų54.639%0.38723%0.234SC..  trans54.628.2-177.5-52.3178-172.9-1780113.9V550 G551 E598 I600V550-K553 PolarHBondContact O-N 2.89Å; V550-K553 VanDerWaalsContact O-N 3.15Å; G551-K553 PolarHBondContact O-N 2.9Å; K553-E598 IonicContact NZ-OE2 2.85Å; K553-E598 PolarHBondContact NZ-OE2 3.48Å; K553-I600 HydrophobicContact CG-CD1 4.23Å; K553-I600 HydrophobicContact CG-CG1 4.47Å
554D93Very high95.7Very high39 Ų3955.9 Ų55.921%0.20924%0.241CC..  trans-79.8128.5176.8-178.8-44.8000109.7K515 L552 F556 Y557 N558K515-D554 WeakPolarHBondContact CD-OD2 3.25Å; K515-D554 IonicContact NZ-OD2 3.39Å; K515-D554 PolarHBondContact NZ-OD2 3.2Å; L552-D554 HydrophobicContact CB-CB 4.5Å; L552-D554 PolarHBondContact O-N 3.11Å; L552-D554 VanDerWaalsContact O-N 3.16Å; D554-F556 VanDerWaalsContact C-N 3.32Å; D554-F556 PolarHBondContact O-N 3.17Å; D554-F556 WeakPolarHBondContact OD1-CA 3.15Å; D554-F556 VanDerWaalsContact OD1-CB 3.26Å; D554-F556 WeakPolarHBondContact OD1-CB 3.4Å; D554-F556 WeakPolarHBondContact OD1-CD2 3.49Å; D554-F556 PolarHBondContact OD1-N 3.47Å; D554-Y557 HydrophobicContact CB-CD2 3.9Å; D554-Y557 PolarHBondContact O-N 2.87Å; D554-N558 VanDerWaalsContact O-CG 3.28Å; D554-N558 PolarHBondContact O-N 3.22Å; D554-N558 PolarHBondContact O-ND2 2.92Å
555E92.4Very high95.7Very high96 Ų9653.9 Ų53.945%0.44924%0.237SC..Hα-helixtrans-71.9-19.9-176.9-71.5-64.517400114.2N558 R559 S602E555-N558 PolarHBondContact OE2-ND2 3.26Å; E555-R559 VanDerWaalsContact O-CB 3.29Å; E555-R559 WeakPolarHBondContact O-CB 3.36Å; E555-R559 WeakPolarHBondContact O-CG 3.4Å; E555-R559 PolarHBondContact O-N 3.26Å; E555-R559 PolarHBondContact O-NE 3.33Å; E555-S602 PolarHBondContact OE2-OG 3Å
556F92.7Very high95.6Very high112 Ų11254 Ų5449%0.49124%0.237SC..Hα-helixtrans-68.5-45.9170-69-91.7000110.6K515 I519 D554 N558 R559 Y560K515-F556 HydrophobicContact CD-CB 4.45Å; I519-F556 HydrophobicContact CD1-CB 4.49Å; D554-F556 VanDerWaalsContact C-N 3.32Å; D554-F556 PolarHBondContact O-N 3.17Å; D554-F556 WeakPolarHBondContact OD1-CA 3.15Å; D554-F556 VanDerWaalsContact OD1-CB 3.26Å; D554-F556 WeakPolarHBondContact OD1-CB 3.4Å; D554-F556 WeakPolarHBondContact OD1-CD2 3.49Å; D554-F556 PolarHBondContact OD1-N 3.47Å; F556-N558 PolarHBondContact O-N 2.96Å; F556-R559 PolarHBondContact O-N 3.02Å; F556-Y560 WeakPolarHBondContact O-CB 3.44Å; F556-Y560 PolarHBondContact O-N 3.04Å
557Y95.8Very high95.5Very high2 Ų254 Ų541%0.00824%0.237CC..Hα-helixtrans-62-43.6173.3-78.9-53.4000111.7K515 I518 I519 I549 L552 D554 R559 Y560 I561K515-Y557 WeakPolarHBondContact CA-OH 3.41Å; K515-Y557 HydrophobicContact CB-CE1 4.36Å; K515-Y557 HydrophobicContact CB-CE2 4.12Å; K515-Y557 WeakPolarHBondContact CB-OH 3.4Å; K515-Y557 HydrophobicContact CD-CD2 4.37Å; K515-Y557 HydrophobicContact CD-CE2 4.04Å; K515-Y557 HydrophobicContact CG-CE1 4.01Å; K515-Y557 HydrophobicContact CG-CE2 3.95Å; I518-Y557 HydrophobicContact CB-CE1 4.23Å; I518-Y557 HydrophobicContact CD1-CE1 4.35Å; I518-Y557 HydrophobicContact CG2-CE1 4Å; I519-Y557 HydrophobicContact CG1-CE1 4.49Å; I549-Y557 HydrophobicContact CG2-CD1 3.57Å; I549-Y557 HydrophobicContact CG2-CD2 3.88Å; I549-Y557 HydrophobicContact CG2-CE1 4Å; I549-Y557 HydrophobicContact CG2-CE2 4.31Å; I549-Y557 HydrophobicContact CG2-CG 3.49Å; I549-Y557 VanDerWaalsContact CG2-CG 3.49Å; L552-Y557 HydrophobicContact CD1-CD2 4.13Å; L552-Y557 HydrophobicContact CD1-CE2 3.61Å; D554-Y557 HydrophobicContact CB-CD2 3.9Å; D554-Y557 PolarHBondContact O-N 2.87Å; Y557-R559 PolarHBondContact O-N 3.08Å; Y557-Y560 PolarHBondContact O-N 3.23Å; Y557-I561 WeakPolarHBondContact O-CB 3.33Å; Y557-I561 VanDerWaalsContact O-CG1 3.27Å; Y557-I561 WeakPolarHBondContact O-CG1 3.08Å; Y557-I561 PolarHBondContact O-N 3.37Å
558N95.8Very high95.4Very high1 Ų157.3 Ų57.31%0.00526%0.255CS..Hα-helixtrans-59.7-47177.1-64.3-22.4000111.3D554 E555 F556 Y560 I561 M562 S602 L603D554-N558 VanDerWaalsContact O-CG 3.28Å; D554-N558 PolarHBondContact O-N 3.22Å; D554-N558 PolarHBondContact O-ND2 2.92Å; E555-N558 PolarHBondContact OE2-ND2 3.26Å; F556-N558 PolarHBondContact O-N 2.96Å; N558-Y560 PolarHBondContact O-N 3.49Å; N558-I561 PolarHBondContact O-N 3.27Å; N558-M562 WeakPolarHBondContact O-CB 3.22Å; N558-M562 VanDerWaalsContact O-CG 3.22Å; N558-M562 WeakPolarHBondContact O-CG 3.44Å; N558-M562 PolarHBondContact O-N 2.85Å; N558-S602 PolarHBondContact ND2-OG 3.05Å; N558-L603 HydrophobicContact CB-CD2 3.93Å; N558-L603 HydrophobicContact CB-CG 4.24Å; N558-L603 WeakPolarHBondContact OD1-CD1 3.38Å
559R95.3Very high95.3Very high131 Ų13153.8 Ų53.849%0.49425%0.246SC..Hα-helixtrans-61-43.3177.1-78.3-176.7-70.4171.3-3112.3E555 F556 Y557 M562 R563E555-R559 VanDerWaalsContact O-CB 3.29Å; E555-R559 WeakPolarHBondContact O-CB 3.36Å; E555-R559 WeakPolarHBondContact O-CG 3.4Å; E555-R559 PolarHBondContact O-N 3.26Å; E555-R559 PolarHBondContact O-NE 3.33Å; F556-R559 PolarHBondContact O-N 3.02Å; Y557-R559 PolarHBondContact O-N 3.08Å; R559-M562 HydrophobicContact CG-CE 4.11Å; R559-M562 PolarHBondContact O-N 3.4Å; R559-R563 VanDerWaalsContact O-CB 3.24Å; R559-R563 WeakPolarHBondContact O-CB 3.44Å; R559-R563 PolarHBondContact O-N 3.06Å
560Y96.1Very high95.2Very high16 Ų1653.8 Ų53.86%0.06325%0.246CC..Hα-helixtrans-59.7-50175165.1-109.8000111.7I518 I519 D522 L524 F556 Y557 N558 M562 R563 N564 L566I518-Y560 HydrophobicContact CG2-CE1 4.26Å; I519-Y560 HydrophobicContact CG1-CD1 4.43Å; I519-Y560 HydrophobicContact CG1-CD2 4.47Å; I519-Y560 HydrophobicContact CG1-CG 4.21Å; I519-Y560 HydrophobicContact CG2-CD2 4.37Å; D522-Y560 WeakPolarHBondContact CA-OH 3.44Å; D522-Y560 WeakPolarHBondContact OD1-CE2 3.23Å; L524-Y560 HydrophobicContact CB-CE1 3.89Å; L524-Y560 HydrophobicContact CD2-CE1 4.12Å; F556-Y560 WeakPolarHBondContact O-CB 3.44Å; F556-Y560 PolarHBondContact O-N 3.04Å; Y557-Y560 PolarHBondContact O-N 3.23Å; N558-Y560 PolarHBondContact O-N 3.49Å; Y560-M562 VanDerWaalsContact C-N 3.33Å; Y560-M562 PolarHBondContact O-N 2.63Å; Y560-R563 PolarHBondContact O-N 3.48Å; Y560-N564 WeakPolarHBondContact CD2-ND2 3.05Å; Y560-N564 WeakPolarHBondContact CE2-ND2 3.36Å; Y560-N564 WeakPolarHBondContact O-CB 3.46Å; Y560-N564 PolarHBondContact O-N 3.25Å; Y560-N564 VanDerWaalsContact O-N 3.09Å; Y560-L566 HydrophobicContact CD1-CD1 4.05Å; Y560-L566 HydrophobicContact CE1-CD1 3.46Å; Y560-L566 VanDerWaalsContact CE1-CD1 3.46Å; Y560-L566 HydrophobicContact CE2-CD1 4.46Å
561I97.1Very high95.1Very high0 Ų054 Ų540%025%0.248CC..Hα-helixtrans-56.8-46.2176.8-72.7166.5000111.3L524 M546 I549 V550 Y557 N558 F565 L566 F567 L603L524-I561 HydrophobicContact CD2-CD1 4.16Å; L524-I561 HydrophobicContact CD2-CG1 3.79Å; M546-I561 HydrophobicContact CE-CG2 4.28Å; I549-I561 HydrophobicContact CG2-CD1 4.27Å; V550-I561 HydrophobicContact CG2-CD1 3.99Å; Y557-I561 WeakPolarHBondContact O-CB 3.33Å; Y557-I561 VanDerWaalsContact O-CG1 3.27Å; Y557-I561 WeakPolarHBondContact O-CG1 3.08Å; Y557-I561 PolarHBondContact O-N 3.37Å; N558-I561 PolarHBondContact O-N 3.27Å; I561-F565 PolarHBondContact O-N 3.26Å; I561-F565 VanDerWaalsContact O-N 3.12Å; I561-L566 HydrophobicContact CG1-CD1 4.31Å; I561-L566 HydrophobicContact CG2-CB 4.23Å; I561-L566 PolarHBondContact O-N 3.25Å; I561-F567 HydrophobicContact CG2-CD2 3.69Å; I561-F567 HydrophobicContact CG2-CE2 3.61Å; I561-L603 HydrophobicContact CB-CD2 4.43Å; I561-L603 HydrophobicContact CG2-CD2 4.06Å
562M96.8Very high95Very high44 Ų4457.7 Ų57.722%0.21726%0.257CS..Hα-helixtrans-67.3-47.9-179.5-70.1-174-63.500112.3N558 R559 Y560 N564 F565 S602 L603 H606N558-M562 WeakPolarHBondContact O-CB 3.22Å; N558-M562 VanDerWaalsContact O-CG 3.22Å; N558-M562 WeakPolarHBondContact O-CG 3.44Å; N558-M562 PolarHBondContact O-N 2.85Å; R559-M562 HydrophobicContact CG-CE 4.11Å; R559-M562 PolarHBondContact O-N 3.4Å; Y560-M562 VanDerWaalsContact C-N 3.33Å; Y560-M562 PolarHBondContact O-N 2.63Å; M562-N564 PolarHBondContact O-N 2.96Å; M562-F565 PolarHBondContact O-N 3.31Å; M562-S602 VanDerWaalsContact SD-O 3.38Å; M562-L603 HydrophobicContact CG-CD2 3.91Å; M562-H606 HydrophobicContact CG-CB 3.69Å; M562-H606 PolarHBondContact O-CE1 2.95Å; M562-H606 VanDerWaalsContact O-CE1 3.28Å; M562-H606 HydrophobicContact SD-CB 3.92Å
563R95.4Very high95Very high207 Ų20754.6 Ų54.678%0.78124%0.244SC*.Hα-helixtrans-59.3-36.8-178.9178.7179.6173.4-177.2-2.6111.6R559 Y560R559-R563 VanDerWaalsContact O-CB 3.24Å; R559-R563 WeakPolarHBondContact O-CB 3.44Å; R559-R563 PolarHBondContact O-N 3.06Å; Y560-R563 PolarHBondContact O-N 3.48Å
564N94.6Very high95Very high35 Ų3550.9 Ų50.919%0.18723%0.228CC..THydrogen-bonded Turntrans-97.33.7-175.1-78-39.5000114.3R525 Y560 M562 L566R525-N564 VanDerWaalsContact NH2-CG 3.31Å; R525-N564 PolarHBondContact NH2-O 3.21Å; R525-N564 PolarHBondContact NH2-OD1 3.29Å; Y560-N564 WeakPolarHBondContact CD2-ND2 3.05Å; Y560-N564 WeakPolarHBondContact CE2-ND2 3.36Å; Y560-N564 WeakPolarHBondContact O-CB 3.46Å; Y560-N564 PolarHBondContact O-N 3.25Å; Y560-N564 VanDerWaalsContact O-N 3.09Å; M562-N564 PolarHBondContact O-N 2.96Å; N564-L566 VanDerWaalsContact C-N 3.29Å; N564-L566 HydrophobicContact CB-CD1 4.18Å; N564-L566 HydrophobicContact CB-CD2 3.78Å; N564-L566 HydrophobicContact CB-CG 3.71Å; N564-L566 PolarHBondContact O-N 3.27Å
565F95.9Very high94.9Very high96 Ų9655.6 Ų55.642%0.42124%0.243SC..THydrogen-bonded Turntrans54.239.8-179.2-64.6-92.8000113.5I561 M562 F567 E568 H606 Y611I561-F565 PolarHBondContact O-N 3.26Å; I561-F565 VanDerWaalsContact O-N 3.12Å; M562-F565 PolarHBondContact O-N 3.31Å; F565-F567 PolarHBondContact O-N 3.12Å; F565-E568 VanDerWaalsContact O-CB 3.25Å; F565-E568 WeakPolarHBondContact O-CB 3.38Å; F565-E568 PolarHBondContact O-N 2.87Å; F565-H606 AromaticContact CD1-CE1 3.69Å; F565-H606 AromaticContact CE1-CE1 3.98Å; F565-Y611 PolarHBondContact O-OH 3.31Å
566L96.4Very high94.8Very high2 Ų257 Ų571%0.0125%0.253CS..THydrogen-bonded Turntrans-72.6-3.5-170.9-58.5-176.6000114.7L524 R525 L528 Y560 I561 N564 E568L524-L566 HydrophobicContact CB-CD1 4.16Å; L524-L566 HydrophobicContact CD2-CD1 3.71Å; L524-L566 HydrophobicContact CG-CD1 3.87Å; R525-L566 HydrophobicContact CB-CD2 3.86Å; R525-L566 HydrophobicContact CG-CD2 4.14Å; L528-L566 HydrophobicContact CD1-CB 3.81Å; L528-L566 HydrophobicContact CD1-CD2 4.47Å; L528-L566 WeakPolarHBondContact CD1-O 3.38Å; Y560-L566 HydrophobicContact CD1-CD1 4.05Å; Y560-L566 HydrophobicContact CE1-CD1 3.46Å; Y560-L566 VanDerWaalsContact CE1-CD1 3.46Å; Y560-L566 HydrophobicContact CE2-CD1 4.46Å; I561-L566 HydrophobicContact CG1-CD1 4.31Å; I561-L566 HydrophobicContact CG2-CB 4.23Å; I561-L566 PolarHBondContact O-N 3.25Å; N564-L566 VanDerWaalsContact C-N 3.29Å; N564-L566 HydrophobicContact CB-CD1 4.18Å; N564-L566 HydrophobicContact CB-CD2 3.78Å; N564-L566 HydrophobicContact CB-CG 3.71Å; N564-L566 PolarHBondContact O-N 3.27Å; L566-E568 VanDerWaalsContact C-N 3.34Å
567F96.9Very high94.7Very high0 Ų052.6 Ų52.60%024%0.235CC..THydrogen-bonded Turntrans-79.1-16.7166.2-83.7-77.9000113.2M546 I561 F565 V570 V571 M591 F592 V595 L603 I607 Y611M546-F567 HydrophobicContact CE-CD1 3.87Å; M546-F567 HydrophobicContact CE-CD2 4.11Å; M546-F567 HydrophobicContact CE-CE1 3.76Å; M546-F567 HydrophobicContact CE-CE2 4.01Å; M546-F567 HydrophobicContact CE-CG 4.05Å; M546-F567 HydrophobicContact CE-CZ 3.83Å; I561-F567 HydrophobicContact CG2-CD2 3.69Å; I561-F567 HydrophobicContact CG2-CE2 3.61Å; F565-F567 PolarHBondContact O-N 3.12Å; F567-V570 WeakPolarHBondContact O-CB 3.48Å; F567-V570 PolarHBondContact O-N 2.73Å; F567-V571 WeakPolarHBondContact O-CG2 3.26Å; F567-V571 PolarHBondContact O-N 3.23Å; F567-M591 HydrophobicContact CD1-CE 4.47Å; F567-M591 HydrophobicContact CE1-CE 4.14Å; F567-F592 AromaticContact CD1-CE1 3.79Å; F567-F592 HydrophobicContact CD1-CE1 3.79Å; F567-F592 HydrophobicContact CD1-CZ 4.25Å; F567-F592 HydrophobicContact CE1-CD1 4.49Å; F567-F592 HydrophobicContact CE1-CE1 4.08Å; F567-V595 HydrophobicContact CZ-CG2 4.36Å; F567-L603 HydrophobicContact CE2-CB 4.43Å; F567-L603 HydrophobicContact CE2-CD1 4.22Å; F567-L603 HydrophobicContact CE2-CD2 4.11Å; F567-L603 HydrophobicContact CE2-CG 4.48Å; F567-L603 HydrophobicContact CZ-CD1 4.31Å; F567-I607 HydrophobicContact CD1-CD1 4.3Å; F567-I607 HydrophobicContact CD1-CG1 4.24Å; F567-I607 HydrophobicContact CD2-CD1 4.38Å; F567-I607 HydrophobicContact CD2-CG1 3.98Å; F567-I607 HydrophobicContact CE1-CD1 3.88Å; F567-I607 HydrophobicContact CE1-CG1 4.3Å; F567-I607 HydrophobicContact CE2-CD1 3.97Å; F567-I607 HydrophobicContact CE2-CG1 4.04Å; F567-I607 HydrophobicContact CG-CG1 4.08Å; F567-I607 HydrophobicContact CZ-CD1 3.71Å; F567-I607 HydrophobicContact CZ-CG1 4.21Å; F567-Y611 HydrophobicContact CB-CD2 4.24Å; F567-Y611 HydrophobicContact CB-CE2 3.64Å
568E95.4Very high94.1Very high116 Ų11654.5 Ų54.554%0.54226%0.255SS..Hα-helixtrans-59.7-47.6-177.4179.7173.7-16200113.2F565 L566 V570 V571 K572 Y611F565-E568 VanDerWaalsContact O-CB 3.25Å; F565-E568 WeakPolarHBondContact O-CB 3.38Å; F565-E568 PolarHBondContact O-N 2.87Å; L566-E568 VanDerWaalsContact C-N 3.34Å; E568-V570 VanDerWaalsContact C-N 3.27Å; E568-V570 PolarHBondContact O-N 2.87Å; E568-V571 PolarHBondContact O-N 3.39Å; E568-K572 WeakPolarHBondContact O-CB 3.35Å; E568-K572 PolarHBondContact O-N 3.23Å; E568-Y611 HydrophobicContact CB-CE1 3.89Å; E568-Y611 HydrophobicContact CG-CE1 4.43Å; E568-Y611 PolarHBondContact N-OH 3Å
569P94.1Very high93.4Very high39 Ų3960.5 Ų60.525%0.25330%0.297SS..Hα-helixtrans-59.3-37.6176.3-24.835.7000112.9L528 K572 A573L528-P569 HydrophobicContact CB-CB 3.99Å; L528-P569 HydrophobicContact CB-CG 4.06Å; L528-P569 HydrophobicContact CD1-CG 4.48Å; P569-K572 PolarHBondContact O-N 3.17Å; P569-A573 WeakPolarHBondContact O-CB 3.46Å; P569-A573 PolarHBondContact O-N 2.72Å
570V95.8Very high92.9Very high0 Ų062.9 Ų62.90%031%0.306CS..Hα-helixtrans-65.2-46.4177.4-177.40000110.7L528 L543 M546 F567 E568 K572 A573 F574 M588 M591 F592L528-V570 HydrophobicContact CD2-CG2 3.96Å; L543-V570 HydrophobicContact CD2-CG1 4.15Å; L543-V570 HydrophobicContact CD2-CG2 4.27Å; M546-V570 HydrophobicContact CE-CG2 4.47Å; M546-V570 HydrophobicContact SD-CG2 3.65Å; F567-V570 WeakPolarHBondContact O-CB 3.48Å; F567-V570 PolarHBondContact O-N 2.73Å; E568-V570 VanDerWaalsContact C-N 3.27Å; E568-V570 PolarHBondContact O-N 2.87Å; V570-K572 VanDerWaalsContact C-N 3.32Å; V570-K572 PolarHBondContact O-N 3.39Å; V570-A573 PolarHBondContact O-N 2.99Å; V570-F574 WeakPolarHBondContact O-CB 3.34Å; V570-F574 PolarHBondContact O-N 3.45Å; V570-M588 HydrophobicContact CG1-CG 4.18Å; V570-M588 HydrophobicContact CG1-SD 4.45Å; V570-M591 HydrophobicContact CB-CE 4.03Å; V570-M591 HydrophobicContact CG1-CE 3.31Å; V570-M591 HydrophobicContact CG2-CE 3.65Å; V570-F592 HydrophobicContact CG1-CE2 4.04Å; V570-F592 HydrophobicContact CG1-CZ 4.03Å
571V95.3Very high92.5Very high4 Ų471.2 Ų71.22%0.02434%0.338CS..Hα-helixtrans-66-37.1178.3174.60000110.8F567 E568 F574 R575 F592 Y611F567-V571 WeakPolarHBondContact O-CG2 3.26Å; F567-V571 PolarHBondContact O-N 3.23Å; E568-V571 PolarHBondContact O-N 3.39Å; V571-F574 PolarHBondContact O-N 2.86Å; V571-R575 WeakPolarHBondContact O-CG 3.27Å; V571-R575 PolarHBondContact O-N 3.04Å; V571-F592 HydrophobicContact CG2-CZ 3.92Å; V571-Y611 HydrophobicContact CB-CD1 4.32Å; V571-Y611 HydrophobicContact CG1-CD1 4.35Å; V571-Y611 HydrophobicContact CG2-CD1 4.05Å; V571-Y611 HydrophobicContact CG2-CD2 4.47Å; V571-Y611 HydrophobicContact CG2-CG 3.93Å
572K93.8Very high92.2Very high100 Ų10073.8 Ų73.844%0.43535%0.352SS..Hα-helixtrans-62.6-46.6173.5-171.4178.5-178.7179.80110.8E483 E568 P569 V570 F574 R575 N576E483-K572 IonicContact OE2-NZ 3.12Å; E483-K572 PolarHBondContact OE2-NZ 3.37Å; E568-K572 WeakPolarHBondContact O-CB 3.35Å; E568-K572 PolarHBondContact O-N 3.23Å; P569-K572 PolarHBondContact O-N 3.17Å; V570-K572 VanDerWaalsContact C-N 3.32Å; V570-K572 PolarHBondContact O-N 3.39Å; K572-F574 PolarHBondContact O-N 3.23Å; K572-R575 PolarHBondContact O-N 3.36Å; K572-N576 WeakPolarHBondContact O-CB 3.31Å; K572-N576 PolarHBondContact O-N 2.96Å; K572-N576 PolarHBondContact O-ND2 2.93Å; K572-N576 PolarHBondContact O-OD1 3.22Å
573A92.9Very high92Very high17 Ų1777.4 Ų77.414%0.1437%0.372CS..Hα-helixtrans-61.6-42.6175.500000112.1P569 V570 R575 N576 N577 M588P569-A573 WeakPolarHBondContact O-CB 3.46Å; P569-A573 PolarHBondContact O-N 2.72Å; V570-A573 PolarHBondContact O-N 2.99Å; A573-R575 PolarHBondContact O-N 3.12Å; A573-N576 PolarHBondContact O-N 2.96Å; A573-N577 PolarHBondContact O-N 2.91Å; A573-M588 HydrophobicContact CB-SD 3.95Å
574F93.3Very high91.9Very high11 Ų1169.2 Ų69.25%0.04834%0.343CS..Hα-helixtrans-59.5-45.1176.1-177.4-95.7000111.9V570 V571 K572 N577 N585 M588 I589 L615 V618 Y620 F624V570-F574 WeakPolarHBondContact O-CB 3.34Å; V570-F574 PolarHBondContact O-N 3.45Å; V571-F574 PolarHBondContact O-N 2.86Å; K572-F574 PolarHBondContact O-N 3.23Å; F574-N577 WeakPolarHBondContact O-CB 3.45Å; F574-N577 PolarHBondContact O-N 3.24Å; F574-N585 VanDerWaalsContact CE2-OD1 3.31Å; F574-N585 WeakPolarHBondContact CE2-OD1 3.3Å; F574-M588 VanDerWaalsContact CA-SD 3.56Å; F574-M588 HydrophobicContact CB-CE 4.22Å; F574-M588 HydrophobicContact CB-SD 3.73Å; F574-M588 HydrophobicContact CD2-CB 4.16Å; F574-M588 HydrophobicContact CD2-CE 4.21Å; F574-M588 HydrophobicContact CD2-SD 4.37Å; F574-M588 PolarHBondContact N-SD 2.9Å; F574-M588 VanDerWaalsContact N-SD 3.37Å; F574-I589 HydrophobicContact CE2-CD1 4.24Å; F574-I589 HydrophobicContact CE2-CG1 3.89Å; F574-L615 HydrophobicContact CD1-CD2 4.11Å; F574-L615 HydrophobicContact CE1-CD2 4.25Å; F574-V618 HydrophobicContact CE1-CG2 3.6Å; F574-V618 HydrophobicContact CZ-CG1 4.26Å; F574-V618 HydrophobicContact CZ-CG2 3.87Å; F574-Y620 WeakPolarHBondContact CZ-OH 3.33Å; F574-F624 HydrophobicContact CE1-CE2 4.48Å; F574-F624 HydrophobicContact CE2-CE2 4.46Å; F574-F624 HydrophobicContact CE2-CZ 4.38Å; F574-F624 AromaticContact CZ-CE2 3.98Å; F574-F624 HydrophobicContact CZ-CE2 3.98Å; F574-F624 HydrophobicContact CZ-CZ 4.19Å
575R91.9Very high91.8Very high139 Ų13967.6 Ų67.653%0.52534%0.335SS..Hα-helixtrans-64.7-42.9175.3-77.1175.9157-174.1-9.6112.7V571 K572 A573 N577 G578 S614V571-R575 WeakPolarHBondContact O-CG 3.27Å; V571-R575 PolarHBondContact O-N 3.04Å; K572-R575 PolarHBondContact O-N 3.36Å; A573-R575 PolarHBondContact O-N 3.12Å; R575-N577 VanDerWaalsContact C-N 3.26Å; R575-N577 PolarHBondContact O-N 3.25Å; R575-G578 PolarHBondContact O-N 3.46Å; R575-S614 PolarHBondContact NH1-OG 2.95Å; R575-S614 PolarHBondContact NH2-OG 3.04Å
576N90.6Very high91.7Very high126 Ų12665.2 Ų65.267%0.67433%0.33SS*.Hα-helixtrans-65-31.2179.1-70.4-12.6000112.3K572 A573 G578K572-N576 WeakPolarHBondContact O-CB 3.31Å; K572-N576 PolarHBondContact O-N 2.96Å; K572-N576 PolarHBondContact O-ND2 2.93Å; K572-N576 PolarHBondContact O-OD1 3.22Å; A573-N576 PolarHBondContact O-N 2.96Å; N576-G578 PolarHBondContact O-N 3.39Å
577N89.2Confident91.7Very high19 Ų1966.4 Ų66.410%0.10234%0.34CS..Hα-helixtrans-64.7-27.6173.2-178.673000112.5A573 F574 R575 R580 N582 M588A573-N577 PolarHBondContact O-N 2.91Å; F574-N577 WeakPolarHBondContact O-CB 3.45Å; F574-N577 PolarHBondContact O-N 3.24Å; R575-N577 VanDerWaalsContact C-N 3.26Å; R575-N577 PolarHBondContact O-N 3.25Å; N577-R580 PolarHBondContact ND2-O 2.75Å; N577-R580 WeakPolarHBondContact O-CB 3.27Å; N577-R580 WeakPolarHBondContact O-CG 3.35Å; N577-R580 PolarHBondContact O-N 3.48Å; N577-N582 PolarHBondContact OD1-ND2 2.84Å; N577-N582 PolarHBondContact OD1-OD1 3.34Å; N577-M588 HydrophobicContact CB-CE 4.28Å
578G83.9Confident91.6Very high41 Ų4166.7 Ų66.742%0.42334%0.341SS..THydrogen-bonded Turntrans61.4-140.4178.900000112.1R575 N576 R580R575-G578 PolarHBondContact O-N 3.46Å; N576-G578 PolarHBondContact O-N 3.39Å; G578-R580 PolarHBondContact O-N 3.42Å
579S80Confident91.6Very high127 Ų12762 Ų6289%0.88832%0.32SS*.THydrogen-bonded Turntrans-81.812.6-178.465.10000114.4Y581S579-Y581 PolarHBondContact O-N 3.2Å
580R85.4Confident91.7Very high182 Ų18263.9 Ų63.969%0.68733%0.325SS*.  trans-76.3120.7-177.2-65.6178.9-179.9-176.80.9110.4N577 G578 N582N577-R580 PolarHBondContact ND2-O 2.75Å; N577-R580 WeakPolarHBondContact O-CB 3.27Å; N577-R580 WeakPolarHBondContact O-CG 3.35Å; N577-R580 PolarHBondContact O-N 3.48Å; G578-R580 PolarHBondContact O-N 3.42Å; R580-N582 PolarHBondContact O-N 3.23Å
581Y87.4Confident91.7Very high190 Ų19064 Ų6475%0.74533%0.326SS*.  trans-87.196.5171.5-171.6-101.1000110S579S579-Y581 PolarHBondContact O-N 3.2Å
582N92.1Very high91.7Very high55 Ų5563.8 Ų63.829%0.29432%0.324SS..SBendtrans-138.1-180179.861.826.5000110.9N577 R580 L584 N585 S586N577-N582 PolarHBondContact OD1-ND2 2.84Å; N577-N582 PolarHBondContact OD1-OD1 3.34Å; R580-N582 PolarHBondContact O-N 3.23Å; N582-L584 VanDerWaalsContact C-N 3.31Å; N582-L584 PolarHBondContact O-N 2.85Å; N582-L584 WeakPolarHBondContact OD1-CB 3.49Å; N582-L584 PolarHBondContact OD1-N 3.44Å; N582-N585 WeakPolarHBondContact O-CB 3.16Å; N582-N585 PolarHBondContact O-N 2.53Å; N582-N585 WeakPolarHBondContact OD1-CB 3.2Å; N582-N585 PolarHBondContact OD1-N 3.41Å; N582-S586 PolarHBondContact O-N 3.33Å; N582-S586 VanDerWaalsContact O-N 3.12Å; N582-S586 PolarHBondContact O-OG 2.89Å
583L92.3Very high91.9Very high119 Ų11961.2 Ų61.262%0.62331%0.314SS*.Hα-helixtrans-61.2-36.8-178.6-173.157.1000113L540 S586 A587L540-L583 HydrophobicContact CD1-CB 4.38Å; L540-L583 HydrophobicContact CD1-CD2 3.5Å; L540-L583 HydrophobicContact CD1-CG 3.81Å; L540-L583 HydrophobicContact CD2-CG 4.04Å; L583-S586 PolarHBondContact O-N 2.74Å; L583-A587 WeakPolarHBondContact O-CB 3.01Å; L583-A587 PolarHBondContact O-N 3.26Å
584L92.1Very high92.1Very high35 Ų3562.3 Ų62.318%0.18332%0.315CS..Hα-helixtrans-62.4-45.2175.9-77.1168.2000111.7A536 A539 L540 L543 N582 S586 A587 M588A536-L584 HydrophobicContact CB-CD1 3.97Å; A536-L584 HydrophobicContact CB-CG 4.49Å; A539-L584 HydrophobicContact CB-CD2 3.78Å; L540-L584 HydrophobicContact CD2-CD2 3.74Å; L540-L584 HydrophobicContact CD2-CG 4.27Å; L540-L584 HydrophobicContact CG-CD2 3.66Å; L540-L584 HydrophobicContact CG-CG 4.24Å; L543-L584 HydrophobicContact CD1-CD2 4.06Å; N582-L584 VanDerWaalsContact C-N 3.31Å; N582-L584 PolarHBondContact O-N 2.85Å; N582-L584 WeakPolarHBondContact OD1-CB 3.49Å; N582-L584 PolarHBondContact OD1-N 3.44Å; L584-S586 VanDerWaalsContact C-N 3.35Å; L584-S586 PolarHBondContact O-N 2.82Å; L584-A587 PolarHBondContact O-N 2.82Å; L584-M588 HydrophobicContact CB-CE 4.26Å; L584-M588 WeakPolarHBondContact O-CE 3.18Å; L584-M588 WeakPolarHBondContact O-CG 3.25Å; L584-M588 PolarHBondContact O-N 3.32Å
585N93.1Very high92.2Very high2 Ų261.8 Ų61.81%0.01131%0.313CS..Hα-helixtrans-57.2-48.9175.4-172.650.7000111.1F574 N582 M588 I589 Y620F574-N585 VanDerWaalsContact CE2-OD1 3.31Å; F574-N585 WeakPolarHBondContact CE2-OD1 3.3Å; N582-N585 WeakPolarHBondContact O-CB 3.16Å; N582-N585 PolarHBondContact O-N 2.53Å; N582-N585 WeakPolarHBondContact OD1-CB 3.2Å; N582-N585 PolarHBondContact OD1-N 3.41Å; N585-M588 PolarHBondContact O-N 3.38Å; N585-I589 WeakPolarHBondContact O-CD1 3.33Å; N585-I589 VanDerWaalsContact O-CG1 3.23Å; N585-I589 WeakPolarHBondContact O-CG1 3.45Å; N585-I589 PolarHBondContact O-N 2.91Å; N585-Y620 PolarHBondContact ND2-OH 3.25Å; N585-Y620 PolarHBondContact OD1-OH 3Å
586S94.2Very high92.4Very high45 Ų4558 Ų5832%0.31530%0.298SS..Hα-helixtrans-63.2-41.8178.6-630000112.5N582 L583 L584 I589 E590N582-S586 PolarHBondContact O-N 3.33Å; N582-S586 VanDerWaalsContact O-N 3.12Å; N582-S586 PolarHBondContact O-OG 2.89Å; L583-S586 PolarHBondContact O-N 2.74Å; L584-S586 VanDerWaalsContact C-N 3.35Å; L584-S586 PolarHBondContact O-N 2.82Å; S586-I589 PolarHBondContact O-N 3.39Å; S586-E590 WeakPolarHBondContact O-CB 3.12Å; S586-E590 PolarHBondContact O-N 3.33Å
587A95.6Very high92.6Very high28 Ų2855.6 Ų55.623%0.23129%0.288CS..Hα-helixtrans-65.6-42.4178.800000112.5L540 L543 L583 L584 E590 M591L540-A587 HydrophobicContact CD2-CB 3.66Å; L543-A587 HydrophobicContact CD1-CB 4.22Å; L583-A587 WeakPolarHBondContact O-CB 3.01Å; L583-A587 PolarHBondContact O-N 3.26Å; L584-A587 PolarHBondContact O-N 2.82Å; A587-E590 PolarHBondContact O-N 2.89Å; A587-M591 PolarHBondContact O-N 3.37Å; A587-M591 VanDerWaalsContact O-N 3.15Å
588M95.4Very high92.9Very high5 Ų558.4 Ų58.43%0.02530%0.301CS..Hα-helixtrans-63.5-45.1175.4-71.6-176.4-77.400111.4L543 V570 A573 F574 N577 L584 N585 M591 F592L543-M588 HydrophobicContact CD1-CG 3.58Å; L543-M588 HydrophobicContact CD2-CG 4Å; L543-M588 HydrophobicContact CG-CG 4.47Å; V570-M588 HydrophobicContact CG1-CG 4.18Å; V570-M588 HydrophobicContact CG1-SD 4.45Å; A573-M588 HydrophobicContact CB-SD 3.95Å; F574-M588 VanDerWaalsContact CA-SD 3.56Å; F574-M588 HydrophobicContact CB-CE 4.22Å; F574-M588 HydrophobicContact CB-SD 3.73Å; F574-M588 HydrophobicContact CD2-CB 4.16Å; F574-M588 HydrophobicContact CD2-CE 4.21Å; F574-M588 HydrophobicContact CD2-SD 4.37Å; F574-M588 PolarHBondContact N-SD 2.9Å; F574-M588 VanDerWaalsContact N-SD 3.37Å; N577-M588 HydrophobicContact CB-CE 4.28Å; L584-M588 HydrophobicContact CB-CE 4.26Å; L584-M588 WeakPolarHBondContact O-CE 3.18Å; L584-M588 WeakPolarHBondContact O-CG 3.25Å; L584-M588 PolarHBondContact O-N 3.32Å; N585-M588 PolarHBondContact O-N 3.38Å; M588-M591 PolarHBondContact O-N 3.02Å; M588-F592 WeakPolarHBondContact O-CD2 3.2Å; M588-F592 PolarHBondContact O-N 3.46Å
589I94.9Very high93.2Very high17 Ų1759.3 Ų59.39%0.08730%0.296CS..Hα-helixtrans-62.7-42.8177.2-66.7165.5000110.9F574 N585 S586 M591 F592 E593 Y620 V621 T623F574-I589 HydrophobicContact CE2-CD1 4.24Å; F574-I589 HydrophobicContact CE2-CG1 3.89Å; N585-I589 WeakPolarHBondContact O-CD1 3.33Å; N585-I589 VanDerWaalsContact O-CG1 3.23Å; N585-I589 WeakPolarHBondContact O-CG1 3.45Å; N585-I589 PolarHBondContact O-N 2.91Å; S586-I589 PolarHBondContact O-N 3.39Å; I589-M591 VanDerWaalsContact C-N 3.27Å; I589-M591 PolarHBondContact O-N 3.34Å; I589-F592 PolarHBondContact O-N 3.38Å; I589-E593 VanDerWaalsContact O-CB 3.26Å; I589-E593 WeakPolarHBondContact O-CB 3.36Å; I589-E593 PolarHBondContact O-N 3.49Å; I589-Y620 HydrophobicContact CD1-CE2 3.71Å; I589-V621 HydrophobicContact CD1-CG1 4.16Å; I589-V621 HydrophobicContact CD1-CG2 4.23Å; I589-V621 HydrophobicContact CG2-CG1 4.39Å; I589-V621 HydrophobicContact CG2-CG2 4.36Å; I589-T623 HydrophobicContact CG2-CG2 4.38Å
590E95.6Very high93.9Very high79 Ų7953.8 Ų53.837%0.36926%0.256SS..Hα-helixtrans-57.1-41176.8-173.6-78.9158.800111.5R547 S586 A587 F592 E593 Y594R547-E590 WeakPolarHBondContact CD-OE2 3.47Å; R547-E590 IonicContact CZ-OE1 3.98Å; R547-E590 IonicContact CZ-OE2 2.7Å; R547-E590 IonicContact NE-OE1 2.83Å; R547-E590 PolarHBondContact NE-OE1 3.3Å; R547-E590 IonicContact NE-OE2 3.38Å; R547-E590 PolarHBondContact NE-OE2 2.71Å; R547-E590 IonicContact NH2-OE1 2.86Å; R547-E590 PolarHBondContact NH2-OE1 3.13Å; S586-E590 WeakPolarHBondContact O-CB 3.12Å; S586-E590 PolarHBondContact O-N 3.33Å; A587-E590 PolarHBondContact O-N 2.89Å; E590-F592 PolarHBondContact O-N 3.33Å; E590-E593 CarbonylContact O-C 3.57Å; E590-E593 WeakPolarHBondContact O-CB 3.32Å; E590-E593 PolarHBondContact O-N 2.63Å; E590-Y594 WeakPolarHBondContact O-CB 3.39Å; E590-Y594 PolarHBondContact O-N 3.07Å
591M95.8Very high94.3Very high2 Ų250.2 Ų50.21%0.0125%0.246CC..Hα-helixtrans-64.2-43179.3-176.8170.766.500112.4L543 M546 R547 F567 V570 A587 M588 I589 E593 Y594 V595L543-M591 HydrophobicContact CD2-CE 4.33Å; M546-M591 HydrophobicContact CB-SD 4.25Å; M546-M591 HydrophobicContact CG-SD 3.92Å; M546-M591 HydrophobicContact SD-CE 3.92Å; M546-M591 HydrophobicContact SD-SD 3.84Å; R547-M591 HydrophobicContact CB-SD 4.48Å; F567-M591 HydrophobicContact CD1-CE 4.47Å; F567-M591 HydrophobicContact CE1-CE 4.14Å; V570-M591 HydrophobicContact CB-CE 4.03Å; V570-M591 HydrophobicContact CG1-CE 3.31Å; V570-M591 HydrophobicContact CG2-CE 3.65Å; A587-M591 PolarHBondContact O-N 3.37Å; A587-M591 VanDerWaalsContact O-N 3.15Å; M588-M591 PolarHBondContact O-N 3.02Å; I589-M591 VanDerWaalsContact C-N 3.27Å; I589-M591 PolarHBondContact O-N 3.34Å; M591-E593 VanDerWaalsContact C-N 3.35Å; M591-Y594 PolarHBondContact O-N 3.38Å; M591-V595 WeakPolarHBondContact O-CG2 3.39Å; M591-V595 PolarHBondContact O-N 3.43Å
592F96.8Very high94.6Very high0 Ų042.4 Ų42.40%022%0.219CC..Hα-helixtrans-65.9-39.2173.8-70.1-66.6000112F567 V570 V571 M588 I589 E590 Y594 V595 R596 I607 T623 F624 L627F567-F592 AromaticContact CD1-CE1 3.79Å; F567-F592 HydrophobicContact CD1-CE1 3.79Å; F567-F592 HydrophobicContact CD1-CZ 4.25Å; F567-F592 HydrophobicContact CE1-CD1 4.49Å; F567-F592 HydrophobicContact CE1-CE1 4.08Å; V570-F592 HydrophobicContact CG1-CE2 4.04Å; V570-F592 HydrophobicContact CG1-CZ 4.03Å; V571-F592 HydrophobicContact CG2-CZ 3.92Å; M588-F592 WeakPolarHBondContact O-CD2 3.2Å; M588-F592 PolarHBondContact O-N 3.46Å; I589-F592 PolarHBondContact O-N 3.38Å; E590-F592 PolarHBondContact O-N 3.33Å; F592-Y594 VanDerWaalsContact C-N 3.33Å; F592-V595 PolarHBondContact O-N 2.92Å; F592-R596 PolarHBondContact O-N 3.06Å; F592-R596 VanDerWaalsContact O-N 3.16Å; F592-I607 HydrophobicContact CD1-CD1 4.09Å; F592-I607 HydrophobicContact CD1-CG2 4.12Å; F592-I607 HydrophobicContact CE1-CD1 4.3Å; F592-I607 HydrophobicContact CE1-CG1 4.46Å; F592-I607 HydrophobicContact CE1-CG2 4.04Å; F592-T623 HydrophobicContact CB-CG2 3.87Å; F592-F624 HydrophobicContact CB-CE1 3.94Å; F592-F624 HydrophobicContact CD1-CE1 4.19Å; F592-F624 AromaticContact CD2-CE1 3.56Å; F592-F624 HydrophobicContact CD2-CE1 3.56Å; F592-F624 AromaticContact CD2-CZ 3.82Å; F592-F624 HydrophobicContact CD2-CZ 3.82Å; F592-F624 HydrophobicContact CE2-CE1 4.11Å; F592-F624 HydrophobicContact CE2-CZ 4.34Å; F592-F624 AromaticContact CG-CE1 3.64Å; F592-F624 HydrophobicContact CG-CE1 3.64Å; F592-F624 HydrophobicContact CG-CZ 4.3Å; F592-L627 HydrophobicContact CB-CD1 3.94Å; F592-L627 HydrophobicContact CD1-CD1 4.35Å
593E96.5Very high94.8Very high47 Ų4739.8 Ų39.822%0.2221%0.205CC..Hα-helixtrans-64.8-38.6176.7-178.760.5-163.500111.5I589 E590 M591 R596 V597 T623I589-E593 VanDerWaalsContact O-CB 3.26Å; I589-E593 WeakPolarHBondContact O-CB 3.36Å; I589-E593 PolarHBondContact O-N 3.49Å; E590-E593 CarbonylContact O-C 3.57Å; E590-E593 WeakPolarHBondContact O-CB 3.32Å; E590-E593 PolarHBondContact O-N 2.63Å; M591-E593 VanDerWaalsContact C-N 3.35Å; E593-R596 VanDerWaalsContact CD-NH2 3.32Å; E593-R596 VanDerWaalsContact O-CB 3.31Å; E593-R596 WeakPolarHBondContact O-CB 3.27Å; E593-R596 PolarHBondContact O-N 3.44Å; E593-R596 IonicContact OE1-CZ 3.02Å; E593-R596 VanDerWaalsContact OE1-CZ 3.24Å; E593-R596 IonicContact OE1-NE 2.75Å; E593-R596 PolarHBondContact OE1-NE 2.81Å; E593-R596 IonicContact OE1-NH2 3.97Å; E593-R596 PolarHBondContact OE1-NH2 3.48Å; E593-R596 IonicContact OE2-CZ 2.58Å; E593-R596 IonicContact OE2-NE 3.77Å; E593-R596 PolarHBondContact OE2-NE 3.02Å; E593-R596 IonicContact OE2-NH2 2.79Å; E593-R596 PolarHBondContact OE2-NH2 3.25Å; E593-V597 HydrophobicContact CG-CG2 4.23Å; E593-V597 WeakPolarHBondContact O-CB 3.27Å; E593-V597 VanDerWaalsContact O-CG2 3.31Å; E593-V597 WeakPolarHBondContact O-CG2 3.42Å; E593-V597 PolarHBondContact O-N 2.89Å; E593-V597 VanDerWaalsContact OE1-CG2 3.27Å; E593-V597 WeakPolarHBondContact OE1-CG2 3.37Å; E593-T623 HydrophobicContact CB-CG2 3.77Å; E593-T623 WeakPolarHBondContact OE2-CA 3.22Å; E593-T623 WeakPolarHBondContact OE2-CB 3.26Å; E593-T623 WeakPolarHBondContact OE2-CG2 3.48Å; E593-T623 PolarHBondContact OE2-OG1 2.89Å
594Y97.1Very high95Very high40 Ų4034.1 Ų34.116%0.15718%0.175CC..Hα-helixtrans-63.6-46.7176.1-176.9-100.2000111.7R547 V550 G551 E590 M591 F592 R596 V597 E598 I600R547-Y594 VanDerWaalsContact CZ-CD1 3.44Å; R547-Y594 VanDerWaalsContact NH1-CE1 3.28Å; V550-Y594 HydrophobicContact CG1-CD1 4.19Å; V550-Y594 HydrophobicContact CG1-CE1 4.42Å; G551-Y594 PolarHBondContact O-OH 3.1Å; E590-Y594 WeakPolarHBondContact O-CB 3.39Å; E590-Y594 PolarHBondContact O-N 3.07Å; M591-Y594 PolarHBondContact O-N 3.38Å; F592-Y594 VanDerWaalsContact C-N 3.33Å; Y594-R596 PolarHBondContact O-N 3.19Å; Y594-V597 PolarHBondContact O-N 2.86Å; Y594-E598 HydrophobicContact CD1-CG 4.21Å; Y594-E598 HydrophobicContact CD2-CG 3.7Å; Y594-E598 HydrophobicContact CE1-CB 4.41Å; Y594-E598 HydrophobicContact CE1-CG 3.85Å; Y594-E598 HydrophobicContact CE2-CG 3.34Å; Y594-E598 HydrophobicContact CG-CG 4.16Å; Y594-E598 VanDerWaalsContact CZ-CG 3.43Å; Y594-E598 WeakPolarHBondContact O-CB 3.43Å; Y594-E598 PolarHBondContact O-N 2.91Å; Y594-I600 HydrophobicContact CD1-CD1 4.42Å; Y594-I600 HydrophobicContact CE1-CD1 4.24Å
595V96.9Very high95.1Very high0 Ų033.3 Ų33.30%017%0.173CC..Hα-helixtrans-54-40.6174.1170.60000110.9V550 F567 M591 F592 D599 I600 L603 I607 L627V550-V595 HydrophobicContact CG1-CG2 3.87Å; F567-V595 HydrophobicContact CZ-CG2 4.36Å; M591-V595 WeakPolarHBondContact O-CG2 3.39Å; M591-V595 PolarHBondContact O-N 3.43Å; F592-V595 PolarHBondContact O-N 2.92Å; V595-D599 PolarHBondContact O-N 3.07Å; V595-I600 HydrophobicContact CG1-CB 4.3Å; V595-I600 HydrophobicContact CG2-CD1 4.49Å; V595-I600 PolarHBondContact O-N 3.3Å; V595-I600 VanDerWaalsContact O-N 3.08Å; V595-L603 HydrophobicContact CG1-CB 3.94Å; V595-L603 HydrophobicContact CG2-CD1 4.32Å; V595-I607 HydrophobicContact CB-CD1 4.4Å; V595-I607 HydrophobicContact CG1-CD1 3.91Å; V595-I607 HydrophobicContact CG2-CD1 4.31Å; V595-L627 HydrophobicContact CG1-CD2 4.23Å
596R95.4Very high95.2Very high59 Ų5933.9 Ų33.922%0.22318%0.176CC..Hα-helixtrans-68.7-49.4178.2-169.6-175.17285.2-9.7113.2F592 E593 Y594 D599 T623 L627 R630F592-R596 PolarHBondContact O-N 3.06Å; F592-R596 VanDerWaalsContact O-N 3.16Å; E593-R596 VanDerWaalsContact CD-NH2 3.32Å; E593-R596 VanDerWaalsContact O-CB 3.31Å; E593-R596 WeakPolarHBondContact O-CB 3.27Å; E593-R596 PolarHBondContact O-N 3.44Å; E593-R596 IonicContact OE1-CZ 3.02Å; E593-R596 VanDerWaalsContact OE1-CZ 3.24Å; E593-R596 IonicContact OE1-NE 2.75Å; E593-R596 PolarHBondContact OE1-NE 2.81Å; E593-R596 IonicContact OE1-NH2 3.97Å; E593-R596 PolarHBondContact OE1-NH2 3.48Å; E593-R596 IonicContact OE2-CZ 2.58Å; E593-R596 IonicContact OE2-NE 3.77Å; E593-R596 PolarHBondContact OE2-NE 3.02Å; E593-R596 IonicContact OE2-NH2 2.79Å; E593-R596 PolarHBondContact OE2-NH2 3.25Å; Y594-R596 PolarHBondContact O-N 3.19Å; R596-D599 PolarHBondContact O-N 3.08Å; R596-T623 WeakPolarHBondContact CD-O 3.44Å; R596-L627 HydrophobicContact CB-CD2 3.58Å; R596-L627 HydrophobicContact CB-CG 3.86Å; R596-L627 HydrophobicContact CG-CD2 4.07Å; R596-L627 HydrophobicContact CG-CG 4.12Å; R596-R630 HydrophobicContact CG-CG 4.17Å
597V95.1Very high95.4Very high76 Ų7631.8 Ų31.846%0.46116%0.161SC..Hα-helixtrans-69.4-42.9-173.5167.80000110.5E593 Y594 D599E593-V597 HydrophobicContact CG-CG2 4.23Å; E593-V597 WeakPolarHBondContact O-CB 3.27Å; E593-V597 VanDerWaalsContact O-CG2 3.31Å; E593-V597 WeakPolarHBondContact O-CG2 3.42Å; E593-V597 PolarHBondContact O-N 2.89Å; E593-V597 VanDerWaalsContact OE1-CG2 3.27Å; E593-V597 WeakPolarHBondContact OE1-CG2 3.37Å; Y594-V597 PolarHBondContact O-N 2.86Å; V597-D599 PolarHBondContact O-N 3.2Å
598E95Very high95.4Very high78 Ų7831.1 Ų31.136%0.36415%0.154SC..THydrogen-bonded Turntrans-79.6-0.8178.3-63-55.5145.600114K553 Y594 I600K553-E598 IonicContact NZ-OE2 2.85Å; K553-E598 PolarHBondContact NZ-OE2 3.48Å; Y594-E598 HydrophobicContact CD1-CG 4.21Å; Y594-E598 HydrophobicContact CD2-CG 3.7Å; Y594-E598 HydrophobicContact CE1-CB 4.41Å; Y594-E598 HydrophobicContact CE1-CG 3.85Å; Y594-E598 HydrophobicContact CE2-CG 3.34Å; Y594-E598 HydrophobicContact CG-CG 4.16Å; Y594-E598 VanDerWaalsContact CZ-CG 3.43Å; Y594-E598 WeakPolarHBondContact O-CB 3.43Å; Y594-E598 PolarHBondContact O-N 2.91Å; E598-I600 HydrophobicContact CB-CG1 4.14Å; E598-I600 PolarHBondContact O-N 2.81Å
599D91.6Very high95.4Very high60 Ų6036.7 Ų36.732%0.32118%0.18SC..THydrogen-bonded Turntrans56.444.8176.3-158.158.3000112.6V595 R596 V597 K601 R630V595-D599 PolarHBondContact O-N 3.07Å; R596-D599 PolarHBondContact O-N 3.08Å; V597-D599 PolarHBondContact O-N 3.2Å; D599-K601 VanDerWaalsContact C-N 3.35Å; D599-K601 PolarHBondContact O-N 3.34Å; D599-K601 WeakPolarHBondContact OD2-CE 3.46Å; D599-R630 IonicContact OD1-CZ 3.24Å; D599-R630 IonicContact OD1-NH1 3.46Å; D599-R630 PolarHBondContact OD1-NH1 3.26Å; D599-R630 IonicContact OD2-NH1 2.96Å
600I94.7Very high95.4Very high10 Ų1039.5 Ų39.55%0.05120%0.195CC..  trans-7690.6177.5-48.6175.8000108.4V550 K553 Y594 V595 E598 S602 L603 T604V550-I600 HydrophobicContact CG1-CD1 3.64Å; K553-I600 HydrophobicContact CG-CD1 4.23Å; K553-I600 HydrophobicContact CG-CG1 4.47Å; Y594-I600 HydrophobicContact CD1-CD1 4.42Å; Y594-I600 HydrophobicContact CE1-CD1 4.24Å; V595-I600 HydrophobicContact CG1-CB 4.3Å; V595-I600 HydrophobicContact CG2-CD1 4.49Å; V595-I600 PolarHBondContact O-N 3.3Å; V595-I600 VanDerWaalsContact O-N 3.08Å; E598-I600 HydrophobicContact CB-CG1 4.14Å; E598-I600 PolarHBondContact O-N 2.81Å; I600-S602 PolarHBondContact O-N 3.27Å; I600-L603 HydrophobicContact CB-CB 4.46Å; I600-L603 HydrophobicContact CG2-CB 4.03Å; I600-L603 HydrophobicContact CG2-CD1 3.96Å; I600-L603 HydrophobicContact CG2-CG 3.8Å; I600-L603 PolarHBondContact O-N 3.09Å; I600-T604 WeakPolarHBondContact O-CB 3.46Å; I600-T604 PolarHBondContact O-N 3.29Å; I600-T604 PolarHBondContact O-OG1 3.12Å
601K92.6Very high95.4Very high108 Ų10836.5 Ų36.547%0.4718%0.181SC..Hα-helixtrans-59.4-45.7-168-70.3-178.6-173.9170.80114.4D599 T604 A605D599-K601 VanDerWaalsContact C-N 3.35Å; D599-K601 PolarHBondContact O-N 3.34Å; D599-K601 WeakPolarHBondContact OD2-CE 3.46Å; K601-T604 PolarHBondContact O-N 3.39Å; K601-A605 PolarHBondContact O-N 3.39Å
602S94.4Very high95.4Very high25 Ų2538.4 Ų38.418%0.17519%0.188CC..Hα-helixtrans-61.5-49.5-179.147.50000111E555 N558 M562 I600 A605 H606E555-S602 PolarHBondContact OE2-OG 3Å; N558-S602 PolarHBondContact ND2-OG 3.05Å; M562-S602 VanDerWaalsContact SD-O 3.38Å; I600-S602 PolarHBondContact O-N 3.27Å; S602-A605 PolarHBondContact O-N 3.33Å; S602-H606 PolarHBondContact O-N 3.25Å
603L95.9Very high95.2Very high0 Ų046.5 Ų46.50%022%0.223CC..Hα-helixtrans-67.1-38176.4-60.3-171000112.8V550 N558 I561 M562 F567 V595 I600 A605 H606 I607V550-L603 HydrophobicContact CG1-CD1 3.89Å; V550-L603 HydrophobicContact CG2-CD1 4.1Å; N558-L603 HydrophobicContact CB-CD2 3.93Å; N558-L603 HydrophobicContact CB-CG 4.24Å; N558-L603 WeakPolarHBondContact OD1-CD1 3.38Å; I561-L603 HydrophobicContact CB-CD2 4.43Å; I561-L603 HydrophobicContact CG2-CD2 4.06Å; M562-L603 HydrophobicContact CG-CD2 3.91Å; F567-L603 HydrophobicContact CE2-CB 4.43Å; F567-L603 HydrophobicContact CE2-CD1 4.22Å; F567-L603 HydrophobicContact CE2-CD2 4.11Å; F567-L603 HydrophobicContact CE2-CG 4.48Å; F567-L603 HydrophobicContact CZ-CD1 4.31Å; V595-L603 HydrophobicContact CG1-CB 3.94Å; V595-L603 HydrophobicContact CG2-CD1 4.32Å; I600-L603 HydrophobicContact CB-CB 4.46Å; I600-L603 HydrophobicContact CG2-CB 4.03Å; I600-L603 HydrophobicContact CG2-CD1 3.96Å; I600-L603 HydrophobicContact CG2-CG 3.8Å; I600-L603 PolarHBondContact O-N 3.09Å; L603-A605 VanDerWaalsContact C-N 3.35Å; L603-A605 PolarHBondContact O-N 2.85Å; L603-H606 PolarHBondContact O-N 3.17Å; L603-I607 HydrophobicContact CB-CD1 4.49Å; L603-I607 WeakPolarHBondContact O-CB 3.38Å; L603-I607 WeakPolarHBondContact O-CD1 3.47Å; L603-I607 WeakPolarHBondContact O-CG1 3.17Å; L603-I607 PolarHBondContact O-N 3.31Å
604T96Very high94.9Very high1 Ų145.5 Ų45.51%0.00622%0.221CC..Hα-helixtrans-58.6-47.1176.4-620000111.1I600 K601 I607 V608 L627 R630I600-T604 WeakPolarHBondContact O-CB 3.46Å; I600-T604 PolarHBondContact O-N 3.29Å; I600-T604 PolarHBondContact O-OG1 3.12Å; K601-T604 PolarHBondContact O-N 3.39Å; T604-I607 PolarHBondContact O-N 3.48Å; T604-V608 WeakPolarHBondContact O-CG2 3.4Å; T604-V608 PolarHBondContact O-N 3.06Å; T604-V608 VanDerWaalsContact O-N 3.13Å; T604-L627 HydrophobicContact CG2-CD2 4.16Å; T604-R630 HydrophobicContact CG2-CB 4.3Å
605A95Very high94.7Very high18 Ų1843.8 Ų43.815%0.14922%0.215CC..Hα-helixtrans-61.1-50.4175.700000111.7K601 S602 L603 I607 V608 E609 Y631K601-A605 PolarHBondContact O-N 3.39Å; S602-A605 PolarHBondContact O-N 3.33Å; L603-A605 VanDerWaalsContact C-N 3.35Å; L603-A605 PolarHBondContact O-N 2.85Å; A605-I607 VanDerWaalsContact C-N 3.32Å; A605-I607 PolarHBondContact O-N 3.3Å; A605-V608 PolarHBondContact O-N 3.32Å; A605-E609 VanDerWaalsContact O-CB 3.31Å; A605-E609 WeakPolarHBondContact O-CB 3.44Å; A605-E609 VanDerWaalsContact O-CG 3.27Å; A605-E609 WeakPolarHBondContact O-CG 3.35Å; A605-E609 PolarHBondContact O-N 2.92Å; A605-Y631 HydrophobicContact CB-CD2 4Å; A605-Y631 HydrophobicContact CB-CE2 3.87Å
606H95.6Very high94.5Very high13 Ų1347.9 Ų47.96%0.0623%0.234CC..Hα-helixtrans-57.3-43.4178.8-18078.1000112.7M562 F565 S602 L603 N610 Y611M562-H606 HydrophobicContact CG-CB 3.69Å; M562-H606 PolarHBondContact O-CE1 2.95Å; M562-H606 VanDerWaalsContact O-CE1 3.28Å; M562-H606 HydrophobicContact SD-CB 3.92Å; F565-H606 AromaticContact CD1-CE1 3.69Å; F565-H606 AromaticContact CE1-CE1 3.98Å; S602-H606 PolarHBondContact O-N 3.25Å; L603-H606 PolarHBondContact O-N 3.17Å; H606-N610 PolarHBondContact ND1-ND2 3.48Å; H606-N610 WeakPolarHBondContact O-CB 3.44Å; H606-N610 PolarHBondContact O-N 3.27Å; H606-N610 PolarHBondContact O-ND2 3.39Å; H606-Y611 AromaticContact NE2-CE2 3.74Å
607I96.6Very high94.2Very high2 Ų251.8 Ų51.81%0.0126%0.259CS..Hα-helixtrans-65.4-47.5-178.4-68.8161.1000111F567 F592 V595 L603 T604 A605 Y611 L615 L627F567-I607 HydrophobicContact CD1-CD1 4.3Å; F567-I607 HydrophobicContact CD1-CG1 4.24Å; F567-I607 HydrophobicContact CD2-CD1 4.38Å; F567-I607 HydrophobicContact CD2-CG1 3.98Å; F567-I607 HydrophobicContact CE1-CD1 3.88Å; F567-I607 HydrophobicContact CE1-CG1 4.3Å; F567-I607 HydrophobicContact CE2-CD1 3.97Å; F567-I607 HydrophobicContact CE2-CG1 4.04Å; F567-I607 HydrophobicContact CG-CG1 4.08Å; F567-I607 HydrophobicContact CZ-CD1 3.71Å; F567-I607 HydrophobicContact CZ-CG1 4.21Å; F592-I607 HydrophobicContact CD1-CD1 4.09Å; F592-I607 HydrophobicContact CD1-CG2 4.12Å; F592-I607 HydrophobicContact CE1-CD1 4.3Å; F592-I607 HydrophobicContact CE1-CG1 4.46Å; F592-I607 HydrophobicContact CE1-CG2 4.04Å; V595-I607 HydrophobicContact CB-CD1 4.4Å; V595-I607 HydrophobicContact CG1-CD1 3.91Å; V595-I607 HydrophobicContact CG2-CD1 4.31Å; L603-I607 HydrophobicContact CB-CD1 4.49Å; L603-I607 WeakPolarHBondContact O-CB 3.38Å; L603-I607 WeakPolarHBondContact O-CD1 3.47Å; L603-I607 WeakPolarHBondContact O-CG1 3.17Å; L603-I607 PolarHBondContact O-N 3.31Å; T604-I607 PolarHBondContact O-N 3.48Å; A605-I607 VanDerWaalsContact C-N 3.32Å; A605-I607 PolarHBondContact O-N 3.3Å; I607-Y611 WeakPolarHBondContact O-CA 3.31Å; I607-Y611 WeakPolarHBondContact O-CB 3.46Å; I607-Y611 PolarHBondContact O-N 2.81Å; I607-L615 HydrophobicContact CG2-CD1 4.29Å; I607-L627 HydrophobicContact CG2-CD1 4.46Å
608V96.1Very high93.9Very high14 Ų1448.9 Ų48.99%0.08524%0.242CC..Hα-helixtrans-69.8-42.8-177.3175.70000111.1T604 A605 N610 W612 L627 Y631T604-V608 WeakPolarHBondContact O-CG2 3.4Å; T604-V608 PolarHBondContact O-N 3.06Å; T604-V608 VanDerWaalsContact O-N 3.13Å; A605-V608 PolarHBondContact O-N 3.32Å; V608-N610 PolarHBondContact O-N 3.15Å; V608-W612 HydrophobicContact CG1-CB 4.33Å; V608-W612 WeakPolarHBondContact O-CB 3.4Å; V608-W612 PolarHBondContact O-N 3.22Å; V608-L627 HydrophobicContact CG2-CB 4.42Å; V608-Y631 HydrophobicContact CB-CD1 4.26Å; V608-Y631 HydrophobicContact CB-CD2 4.39Å; V608-Y631 HydrophobicContact CB-CG 4.01Å; V608-Y631 HydrophobicContact CG1-CD1 3.64Å; V608-Y631 HydrophobicContact CG1-CE1 4.14Å; V608-Y631 HydrophobicContact CG1-CG 3.9Å; V608-Y631 HydrophobicContact CG2-CG 4.32Å
609E94.9Very high93.6Very high121 Ų12150.6 Ų50.657%0.56525%0.253SS*.Hα-helixtrans-65.9-37.8-177.8-72173.1178.800112.7A605 Y631A605-E609 VanDerWaalsContact O-CB 3.31Å; A605-E609 WeakPolarHBondContact O-CB 3.44Å; A605-E609 VanDerWaalsContact O-CG 3.27Å; A605-E609 WeakPolarHBondContact O-CG 3.35Å; A605-E609 PolarHBondContact O-N 2.92Å; E609-Y631 HydrophobicContact CG-CE2 3.99Å; E609-Y631 WeakPolarHBondContact CG-OH 3.31Å; E609-Y631 VanDerWaalsContact OE1-CE2 3.32Å; E609-Y631 WeakPolarHBondContact OE1-CE2 3.39Å; E609-Y631 PolarHBondContact OE1-OH 3.01Å
610N96Very high93.5Very high76 Ų7652.8 Ų52.841%0.40626%0.258SS..Hα-helixtrans-98.3-31.6-173-62.4-73.4000113.7H606 V608H606-N610 PolarHBondContact ND1-ND2 3.48Å; H606-N610 WeakPolarHBondContact O-CB 3.44Å; H606-N610 PolarHBondContact O-N 3.27Å; H606-N610 PolarHBondContact O-ND2 3.39Å; V608-N610 PolarHBondContact O-N 3.15Å
611Y96Very high93.4Very high17 Ų1753.9 Ų53.97%0.06727%0.265CS..Hα-helixtrans-123.41.6-169.3-47.7-75.5000114.9F565 F567 E568 V571 H606 I607 K613 S614 L615F565-Y611 PolarHBondContact O-OH 3.31Å; F567-Y611 HydrophobicContact CB-CD2 4.24Å; F567-Y611 HydrophobicContact CB-CE2 3.64Å; E568-Y611 HydrophobicContact CB-CE1 3.89Å; E568-Y611 HydrophobicContact CG-CE1 4.43Å; E568-Y611 PolarHBondContact N-OH 3Å; V571-Y611 HydrophobicContact CB-CD1 4.32Å; V571-Y611 HydrophobicContact CG1-CD1 4.35Å; V571-Y611 HydrophobicContact CG2-CD1 4.05Å; V571-Y611 HydrophobicContact CG2-CD2 4.47Å; V571-Y611 HydrophobicContact CG2-CG 3.93Å; H606-Y611 AromaticContact NE2-CE2 3.74Å; I607-Y611 WeakPolarHBondContact O-CA 3.31Å; I607-Y611 WeakPolarHBondContact O-CB 3.46Å; I607-Y611 PolarHBondContact O-N 2.81Å; Y611-K613 VanDerWaalsContact C-N 3.33Å; Y611-K613 PolarHBondContact O-N 3.16Å; Y611-S614 WeakPolarHBondContact O-CA 3.27Å; Y611-S614 VanDerWaalsContact O-CB 3.22Å; Y611-S614 WeakPolarHBondContact O-CB 3.24Å; Y611-S614 PolarHBondContact O-N 3.2Å; Y611-L615 WeakPolarHBondContact O-CG 3.35Å; Y611-L615 PolarHBondContact O-N 3.44Å
612W94.5Very high93.4Very high42 Ų4254.9 Ų54.916%0.15927%0.271CS..Hα-helixtrans-53.6-45-178.6172.1-101.5000113.8V608 S614 L615 E616 F624 K628V608-W612 HydrophobicContact CG1-CB 4.33Å; V608-W612 WeakPolarHBondContact O-CB 3.4Å; V608-W612 PolarHBondContact O-N 3.22Å; W612-S614 PolarHBondContact O-N 2.91Å; W612-L615 PolarHBondContact O-N 3.24Å; W612-E616 HydrophobicContact CD2-CB 4.15Å; W612-E616 VanDerWaalsContact CE2-CB 3.43Å; W612-E616 HydrophobicContact CH2-CB 4.09Å; W612-E616 HydrophobicContact CZ2-CB 3.41Å; W612-E616 VanDerWaalsContact CZ2-CB 3.41Å; W612-E616 PolarHBondContact NE1-OE2 3.03Å; W612-E616 PolarHBondContact O-N 3.41Å; W612-F624 HydrophobicContact CZ3-CB 4.38Å; W612-F624 WeakPolarHBondContact CZ3-O 3.3Å; W612-K628 HydrophobicContact CD2-CD 3.76Å; W612-K628 VanDerWaalsContact CE2-CD 3.45Å; W612-K628 VanDerWaalsContact CE2-NZ 3.3Å; W612-K628 HydrophobicContact CE3-CB 3.95Å; W612-K628 HydrophobicContact CE3-CD 3.89Å; W612-K628 HydrophobicContact CE3-CG 4.43Å; W612-K628 HydrophobicContact CH2-CB 3.94Å; W612-K628 HydrophobicContact CH2-CD 3.42Å; W612-K628 VanDerWaalsContact CH2-CD 3.42Å; W612-K628 HydrophobicContact CH2-CG 4.35Å; W612-K628 HydrophobicContact CZ2-CD 3.28Å; W612-K628 HydrophobicContact CZ3-CB 3.58Å; W612-K628 HydrophobicContact CZ3-CD 3.74Å; W612-K628 HydrophobicContact CZ3-CG 4.29Å
613K93.1Very high93.4Very high170 Ų17054.2 Ų54.274%0.73927%0.266SS*.Hα-helixtrans-57.4-23.8177.5-66.2-178.1179.7175.70113.1Y611Y611-K613 VanDerWaalsContact C-N 3.33Å; Y611-K613 PolarHBondContact O-N 3.16Å
614S91Very high93.3Very high26 Ų2654.4 Ų54.418%0.18227%0.267CS..Hα-helixtrans-85.2-15.9179.1-54.60000113.7R575 Y611 W612R575-S614 PolarHBondContact NH1-OG 2.95Å; R575-S614 PolarHBondContact NH2-OG 3.04Å; Y611-S614 WeakPolarHBondContact O-CA 3.27Å; Y611-S614 VanDerWaalsContact O-CB 3.22Å; Y611-S614 WeakPolarHBondContact O-CB 3.24Å; Y611-S614 PolarHBondContact O-N 3.2Å; W612-S614 PolarHBondContact O-N 2.91Å
615L92.1Very high93.2Very high3 Ų358.9 Ų58.92%0.01629%0.286CS..Hα-helixtrans-122.1-12.6-167.4-58.9171.9000112.6F574 I607 Y611 W612 D617 V618 F624F574-L615 HydrophobicContact CD1-CD2 4.11Å; F574-L615 HydrophobicContact CE1-CD2 4.25Å; I607-L615 HydrophobicContact CG2-CD1 4.29Å; Y611-L615 WeakPolarHBondContact O-CG 3.35Å; Y611-L615 PolarHBondContact O-N 3.44Å; W612-L615 PolarHBondContact O-N 3.24Å; L615-D617 VanDerWaalsContact C-N 3.32Å; L615-D617 PolarHBondContact O-N 3.17Å; L615-V618 WeakPolarHBondContact O-CB 3.42Å; L615-V618 WeakPolarHBondContact O-CG2 3.45Å; L615-V618 PolarHBondContact O-N 2.83Å; L615-F624 HydrophobicContact CB-CB 4.31Å; L615-F624 HydrophobicContact CB-CD1 3.83Å; L615-F624 HydrophobicContact CB-CE1 4.28Å; L615-F624 HydrophobicContact CB-CG 3.98Å; L615-F624 HydrophobicContact CD1-CD1 3.71Å; L615-F624 HydrophobicContact CD1-CE1 3.75Å; L615-F624 HydrophobicContact CD2-CD1 4.13Å; L615-F624 HydrophobicContact CD2-CE1 3.68Å; L615-F624 HydrophobicContact CD2-CZ 3.89Å; L615-F624 HydrophobicContact CG-CD1 4.08Å; L615-F624 HydrophobicContact CG-CE1 4.09Å
616E92.1Very high93.2Very high87 Ų8758.7 Ų58.741%0.40729%0.286SS..THydrogen-bonded Turntrans-67.7-29.4-173.870.2-174.7156.600114.3W612 V618W612-E616 HydrophobicContact CD2-CB 4.15Å; W612-E616 VanDerWaalsContact CE2-CB 3.43Å; W612-E616 HydrophobicContact CH2-CB 4.09Å; W612-E616 HydrophobicContact CZ2-CB 3.41Å; W612-E616 VanDerWaalsContact CZ2-CB 3.41Å; W612-E616 PolarHBondContact NE1-OE2 3.03Å; W612-E616 PolarHBondContact O-N 3.41Å; E616-V618 PolarHBondContact O-N 2.87Å
617D89.8Confident93.1Very high140 Ų14058.2 Ų58.275%0.74928%0.284SS*.THydrogen-bonded Turntrans-77.8-4.2178.5-63.1-35.8000112.9L615 D619L615-D617 VanDerWaalsContact C-N 3.32Å; L615-D617 PolarHBondContact O-N 3.17Å; D617-D619 PolarHBondContact O-N 3.37Å
618V89.8Confident93Very high15 Ų1561.1 Ų61.19%0.09130%0.297CS..  trans-82.5103.4178.4-176.20000109.9F574 L615 E616 Y620 V621 F624F574-V618 HydrophobicContact CE1-CG2 3.6Å; F574-V618 HydrophobicContact CZ-CG1 4.26Å; F574-V618 HydrophobicContact CZ-CG2 3.87Å; L615-V618 WeakPolarHBondContact O-CB 3.42Å; L615-V618 WeakPolarHBondContact O-CG2 3.45Å; L615-V618 PolarHBondContact O-N 2.83Å; E616-V618 PolarHBondContact O-N 2.87Å; V618-Y620 HydrophobicContact CG1-CD1 3.89Å; V618-Y620 HydrophobicContact CG1-CE1 3.47Å; V618-Y620 VanDerWaalsContact CG1-CE1 3.47Å; V618-V621 HydrophobicContact CG1-CG2 3.75Å; V618-F624 HydrophobicContact CB-CD2 3.75Å; V618-F624 HydrophobicContact CB-CE2 4.08Å; V618-F624 HydrophobicContact CG1-CD2 3.74Å; V618-F624 HydrophobicContact CG1-CE2 3.78Å; V618-F624 HydrophobicContact CG2-CD2 4.23Å; V618-F624 HydrophobicContact CG2-CE2 4.21Å
619D88.8Confident92.9Very high115 Ų11564.9 Ų64.962%0.61532%0.316SS*.  trans-108.3-17.8-174.265.1-7.1000114.9D617 V621D617-D619 PolarHBondContact O-N 3.37Å; D619-V621 PolarHBondContact O-N 3.08Å
620Y89.4Confident92.8Very high106 Ų10663.2 Ų63.242%0.41630%0.304SS..SBendtrans-71.4-10179.367.6-92.2000114F574 N585 I589 V618F574-Y620 WeakPolarHBondContact CZ-OH 3.33Å; N585-Y620 PolarHBondContact ND2-OH 3.25Å; N585-Y620 PolarHBondContact OD1-OH 3Å; I589-Y620 HydrophobicContact CD1-CE2 3.71Å; V618-Y620 HydrophobicContact CG1-CD1 3.89Å; V618-Y620 HydrophobicContact CG1-CE1 3.47Å; V618-Y620 VanDerWaalsContact CG1-CE1 3.47Å
621V91.1Very high92.7Very high32 Ų3261 Ų6119%0.19429%0.29CS..  trans-133152.8171.3-70.40000111.5I589 V618 D619 F624I589-V621 HydrophobicContact CD1-CG1 4.16Å; I589-V621 HydrophobicContact CD1-CG2 4.23Å; I589-V621 HydrophobicContact CG2-CG1 4.39Å; I589-V621 HydrophobicContact CG2-CG2 4.36Å; V618-V621 HydrophobicContact CG1-CG2 3.75Å; D619-V621 PolarHBondContact O-N 3.08Å; V621-F624 HydrophobicContact CG2-CD2 4.12Å; V621-F624 HydrophobicContact CG2-CE2 4.13Å
622Q93Very high92.6Very high130 Ų13063.7 Ų63.761%0.60730%0.303SS*.SBendtrans-89.1-6.5177.9-62.3-57.1-38.300113.7F624 K625 G626Q622-F624 PolarHBondContact O-N 3.28Å; Q622-K625 PolarHBondContact O-N 3.2Å; Q622-G626 PolarHBondContact O-N 2.75Å
623T94.1Very high92.4Very high11 Ų1164.9 Ų64.97%0.06731%0.311CS..Hα-helixtrans-53.9-53-174-63.10000112.9I589 F592 E593 R596 G626 L627I589-T623 HydrophobicContact CG2-CG2 4.38Å; F592-T623 HydrophobicContact CB-CG2 3.87Å; E593-T623 HydrophobicContact CB-CG2 3.77Å; E593-T623 WeakPolarHBondContact OE2-CA 3.22Å; E593-T623 WeakPolarHBondContact OE2-CB 3.26Å; E593-T623 WeakPolarHBondContact OE2-CG2 3.48Å; E593-T623 PolarHBondContact OE2-OG1 2.89Å; R596-T623 WeakPolarHBondContact CD-O 3.44Å; T623-G626 PolarHBondContact O-N 3.42Å; T623-L627 HydrophobicContact CG2-CD1 4.48Å; T623-L627 PolarHBondContact O-N 3.47Å
624F95.1Very high92.1Very high3 Ų358.6 Ų58.61%0.01328%0.284CS..Hα-helixtrans-69.3-42.9-176-58.4-65.8000112.7F574 F592 W612 L615 V618 V621 Q622 G626 L627 K628F574-F624 HydrophobicContact CE1-CE2 4.48Å; F574-F624 HydrophobicContact CE2-CE2 4.46Å; F574-F624 HydrophobicContact CE2-CZ 4.38Å; F574-F624 AromaticContact CZ-CE2 3.98Å; F574-F624 HydrophobicContact CZ-CE2 3.98Å; F574-F624 HydrophobicContact CZ-CZ 4.19Å; F592-F624 HydrophobicContact CB-CE1 3.94Å; F592-F624 HydrophobicContact CD1-CE1 4.19Å; F592-F624 AromaticContact CD2-CE1 3.56Å; F592-F624 HydrophobicContact CD2-CE1 3.56Å; F592-F624 AromaticContact CD2-CZ 3.82Å; F592-F624 HydrophobicContact CD2-CZ 3.82Å; F592-F624 HydrophobicContact CE2-CE1 4.11Å; F592-F624 HydrophobicContact CE2-CZ 4.34Å; F592-F624 AromaticContact CG-CE1 3.64Å; F592-F624 HydrophobicContact CG-CE1 3.64Å; F592-F624 HydrophobicContact CG-CZ 4.3Å; W612-F624 HydrophobicContact CZ3-CB 4.38Å; W612-F624 WeakPolarHBondContact CZ3-O 3.3Å; L615-F624 HydrophobicContact CB-CB 4.31Å; L615-F624 HydrophobicContact CB-CD1 3.83Å; L615-F624 HydrophobicContact CB-CE1 4.28Å; L615-F624 HydrophobicContact CB-CG 3.98Å; L615-F624 HydrophobicContact CD1-CD1 3.71Å; L615-F624 HydrophobicContact CD1-CE1 3.75Å; L615-F624 HydrophobicContact CD2-CD1 4.13Å; L615-F624 HydrophobicContact CD2-CE1 3.68Å; L615-F624 HydrophobicContact CD2-CZ 3.89Å; L615-F624 HydrophobicContact CG-CD1 4.08Å; L615-F624 HydrophobicContact CG-CE1 4.09Å; V618-F624 HydrophobicContact CB-CD2 3.75Å; V618-F624 HydrophobicContact CB-CE2 4.08Å; V618-F624 HydrophobicContact CG1-CD2 3.74Å; V618-F624 HydrophobicContact CG1-CE2 3.78Å; V618-F624 HydrophobicContact CG2-CD2 4.23Å; V618-F624 HydrophobicContact CG2-CE2 4.21Å; V621-F624 HydrophobicContact CG2-CD2 4.12Å; V621-F624 HydrophobicContact CG2-CE2 4.13Å; Q622-F624 PolarHBondContact O-N 3.28Å; F624-G626 VanDerWaalsContact C-N 3.26Å; F624-G626 PolarHBondContact O-N 2.92Å; F624-L627 HydrophobicContact CD1-CD1 4.31Å; F624-L627 WeakPolarHBondContact O-CB 3.48Å; F624-L627 PolarHBondContact O-N 3.29Å; F624-K628 PolarHBondContact O-N 3.35Å
625K93.9Very high92Very high96 Ų9663.1 Ų63.142%0.41730%0.297SS..Hα-helixtrans-58.9-40.7172.3-69.1177.3-178.6169.30111.4Q622 K628 L629Q622-K625 PolarHBondContact O-N 3.2Å; K625-K628 PolarHBondContact O-N 2.94Å; K625-L629 PolarHBondContact O-N 2.87Å
626G93.9Very high91.7Very high14 Ų1469.6 Ų69.614%0.14433%0.327CS..Hα-helixtrans-65.8-38175.600000113.5Q622 T623 F624 L629 R630Q622-G626 PolarHBondContact O-N 2.75Å; T623-G626 PolarHBondContact O-N 3.42Å; F624-G626 VanDerWaalsContact C-N 3.26Å; F624-G626 PolarHBondContact O-N 2.92Å; G626-L629 PolarHBondContact O-N 3.3Å; G626-R630 WeakPolarHBondContact O-CG 3.27Å; G626-R630 PolarHBondContact O-N 2.75Å
627L93.9Very high91.2Very high3 Ų372.5 Ų72.52%0.01634%0.335CS..Hα-helixtrans-61.9-46173.5-85.7169000111.2F592 V595 R596 T604 I607 V608 T623 F624 L629 R630 Y631F592-L627 HydrophobicContact CB-CD1 3.94Å; F592-L627 HydrophobicContact CD1-CD1 4.35Å; V595-L627 HydrophobicContact CG1-CD2 4.23Å; R596-L627 HydrophobicContact CB-CD2 3.58Å; R596-L627 HydrophobicContact CB-CG 3.86Å; R596-L627 HydrophobicContact CG-CD2 4.07Å; R596-L627 HydrophobicContact CG-CG 4.12Å; T604-L627 HydrophobicContact CG2-CD2 4.16Å; I607-L627 HydrophobicContact CG2-CD1 4.46Å; V608-L627 HydrophobicContact CG2-CB 4.42Å; T623-L627 HydrophobicContact CG2-CD1 4.48Å; T623-L627 PolarHBondContact O-N 3.47Å; F624-L627 HydrophobicContact CD1-CD1 4.31Å; F624-L627 WeakPolarHBondContact O-CB 3.48Å; F624-L627 PolarHBondContact O-N 3.29Å; L627-L629 PolarHBondContact O-N 2.9Å; L627-R630 PolarHBondContact O-N 3.45Å; L627-Y631 PolarHBondContact O-N 2.82Å
628K94.6Very high90.5Very high63 Ų6372.2 Ų72.227%0.27433%0.329SS..Hα-helixtrans-61-44.4176.2-179.2168.1-177.2174.90112.3W612 F624 K625 R630 Y631 E632W612-K628 HydrophobicContact CD2-CD 3.76Å; W612-K628 VanDerWaalsContact CE2-CD 3.45Å; W612-K628 VanDerWaalsContact CE2-NZ 3.3Å; W612-K628 HydrophobicContact CE3-CB 3.95Å; W612-K628 HydrophobicContact CE3-CD 3.89Å; W612-K628 HydrophobicContact CE3-CG 4.43Å; W612-K628 HydrophobicContact CH2-CB 3.94Å; W612-K628 HydrophobicContact CH2-CD 3.42Å; W612-K628 VanDerWaalsContact CH2-CD 3.42Å; W612-K628 HydrophobicContact CH2-CG 4.35Å; W612-K628 HydrophobicContact CZ2-CD 3.28Å; W612-K628 HydrophobicContact CZ3-CB 3.58Å; W612-K628 HydrophobicContact CZ3-CD 3.74Å; W612-K628 HydrophobicContact CZ3-CG 4.29Å; F624-K628 PolarHBondContact O-N 3.35Å; K625-K628 PolarHBondContact O-N 2.94Å; K628-R630 VanDerWaalsContact C-N 3.3Å; K628-R630 PolarHBondContact O-N 2.86Å; K628-Y631 WeakPolarHBondContact O-CB 3.31Å; K628-Y631 PolarHBondContact O-N 3.18Å; K628-E632 WeakPolarHBondContact CE-OE1 3.46Å; K628-E632 HydrophobicContact CG-CG 4.45Å; K628-E632 WeakPolarHBondContact O-CG 3.44Å; K628-E632 PolarHBondContact O-N 3.5Å
629L93.9Very high90Very high92 Ų9277.3 Ų77.348%0.48236%0.356SS..Hα-helixtrans-60.1-40.7176.6-179.363.6000111.8K625 G626 L627 E632 Q633K625-L629 PolarHBondContact O-N 2.87Å; G626-L629 PolarHBondContact O-N 3.3Å; L627-L629 PolarHBondContact O-N 2.9Å; L629-E632 PolarHBondContact O-N 3.16Å; L629-Q633 WeakPolarHBondContact O-CB 3.4Å; L629-Q633 VanDerWaalsContact O-CG 3.22Å; L629-Q633 WeakPolarHBondContact O-CG 3.42Å; L629-Q633 PolarHBondContact O-N 2.91Å
630R92.7Very high89.1Confident87 Ų8776.5 Ų76.533%0.32835%0.351SS..Hα-helixtrans-63.9-43.4175.4-77-69.3-173.4140.21.4112.2R596 D599 T604 G626 L627 K628 Q633 Q634R596-R630 HydrophobicContact CG-CG 4.17Å; D599-R630 IonicContact OD1-CZ 3.24Å; D599-R630 IonicContact OD1-NH1 3.46Å; D599-R630 PolarHBondContact OD1-NH1 3.26Å; D599-R630 IonicContact OD2-NH1 2.96Å; T604-R630 HydrophobicContact CG2-CB 4.3Å; G626-R630 WeakPolarHBondContact O-CG 3.27Å; G626-R630 PolarHBondContact O-N 2.75Å; L627-R630 PolarHBondContact O-N 3.45Å; K628-R630 VanDerWaalsContact C-N 3.3Å; K628-R630 PolarHBondContact O-N 2.86Å; R630-Q633 PolarHBondContact O-N 3.32Å; R630-Q634 WeakPolarHBondContact O-CB 3.42Å; R630-Q634 PolarHBondContact O-N 3.13Å
631Y93.9Very high87.8Confident30 Ų3075.8 Ų75.812%0.11836%0.36CS..Hα-helixtrans-60.1-47.8175.2173-103.3000112.2A605 V608 E609 L627 K628 Q633 Q634 R635A605-Y631 HydrophobicContact CB-CD2 4Å; A605-Y631 HydrophobicContact CB-CE2 3.87Å; V608-Y631 HydrophobicContact CB-CD1 4.26Å; V608-Y631 HydrophobicContact CB-CD2 4.39Å; V608-Y631 HydrophobicContact CB-CG 4.01Å; V608-Y631 HydrophobicContact CG1-CD1 3.64Å; V608-Y631 HydrophobicContact CG1-CE1 4.14Å; V608-Y631 HydrophobicContact CG1-CG 3.9Å; V608-Y631 HydrophobicContact CG2-CG 4.32Å; E609-Y631 HydrophobicContact CG-CE2 3.99Å; E609-Y631 WeakPolarHBondContact CG-OH 3.31Å; E609-Y631 VanDerWaalsContact OE1-CE2 3.32Å; E609-Y631 WeakPolarHBondContact OE1-CE2 3.39Å; E609-Y631 PolarHBondContact OE1-OH 3.01Å; L627-Y631 PolarHBondContact O-N 2.82Å; K628-Y631 WeakPolarHBondContact O-CB 3.31Å; K628-Y631 PolarHBondContact O-N 3.18Å; Y631-Q633 PolarHBondContact O-N 3.44Å; Y631-Q634 WeakPolarHBondContact O-CB 3.03Å; Y631-Q634 PolarHBondContact O-N 3.17Å; Y631-Q634 VanDerWaalsContact O-N 3.13Å; Y631-R635 PolarHBondContact O-N 3.46Å
632E93.2Very high86.1Confident72 Ų7282.8 Ų82.834%0.33639%0.387SS..Hα-helixtrans-60.8-45.1178.2-72.2171176.800111.3K628 L629 Q634 R635 E636K628-E632 WeakPolarHBondContact CE-OE1 3.46Å; K628-E632 HydrophobicContact CG-CG 4.45Å; K628-E632 WeakPolarHBondContact O-CG 3.44Å; K628-E632 PolarHBondContact O-N 3.5Å; L629-E632 PolarHBondContact O-N 3.16Å; E632-Q634 VanDerWaalsContact C-N 3.28Å; E632-Q634 PolarHBondContact O-N 3.32Å; E632-R635 PolarHBondContact O-N 2.84Å; E632-E636 WeakPolarHBondContact O-CG 3.38Å; E632-E636 PolarHBondContact O-N 3.45Å
633Q90.2Very high84.3Confident67 Ų6781.1 Ų81.131%0.31338%0.382SS..Hα-helixtrans-60.4-36.1174.6-73.417415.400112.9L629 R630 Y631 R637L629-Q633 WeakPolarHBondContact O-CB 3.4Å; L629-Q633 VanDerWaalsContact O-CG 3.22Å; L629-Q633 WeakPolarHBondContact O-CG 3.42Å; L629-Q633 PolarHBondContact O-N 2.91Å; R630-Q633 PolarHBondContact O-N 3.32Å; Y631-Q633 PolarHBondContact O-N 3.44Å; Q633-R637 VanDerWaalsContact O-CG 3.22Å; Q633-R637 WeakPolarHBondContact O-CG 3.18Å; Q633-R637 PolarHBondContact O-N 3.45Å
634Q88.4Confident82.1Confident38 Ų3884.3 Ų84.318%0.17840%0.399CS..Hα-helixtrans-70.1-42.2176.7-179179.6-22.700111.3R630 Y631 E632 R637 Q638R630-Q634 WeakPolarHBondContact O-CB 3.42Å; R630-Q634 PolarHBondContact O-N 3.13Å; Y631-Q634 WeakPolarHBondContact O-CB 3.03Å; Y631-Q634 PolarHBondContact O-N 3.17Å; Y631-Q634 VanDerWaalsContact O-N 3.13Å; E632-Q634 VanDerWaalsContact C-N 3.28Å; E632-Q634 PolarHBondContact O-N 3.32Å; Q634-R637 PolarHBondContact O-N 3.46Å; Q634-Q638 PolarHBondContact O-N 3.43Å; Q634-Q638 VanDerWaalsContact O-N 3.08Å
635R87.6Confident80Confident122 Ų12288.6 Ų88.646%0.4643%0.429SS..Hα-helixtrans-66.2-44.2179.5-157.8175.470.5-171.9-0.1111.6Y631 E632 R637 Q638 D639Y631-R635 PolarHBondContact O-N 3.46Å; E632-R635 PolarHBondContact O-N 2.84Å; R635-R637 VanDerWaalsContact C-N 3.25Å; R635-R637 PolarHBondContact O-N 3.31Å; R635-Q638 PolarHBondContact O-N 3.03Å; R635-Q638 VanDerWaalsContact O-N 3.07Å; R635-D639 PolarHBondContact O-N 3.06Å
636E86.1Confident77.8Confident138 Ų13891 Ų9165%0.64544%0.444SS*.Hα-helixtrans-59-35174.3-74.4-179175.500113E632 N640E632-E636 WeakPolarHBondContact O-CG 3.38Å; E632-E636 PolarHBondContact O-N 3.45Å; E636-N640 PolarHBondContact O-N 2.87Å
637R81Confident75.6Confident149 Ų14998.3 Ų98.356%0.56247%0.467SS*.Hα-helixtrans-71-36.4174.9-72.5175.2-164.6-160.19.9112.6Q633 Q634 R635 N640Q633-R637 VanDerWaalsContact O-CG 3.22Å; Q633-R637 WeakPolarHBondContact O-CG 3.18Å; Q633-R637 PolarHBondContact O-N 3.45Å; Q634-R637 PolarHBondContact O-N 3.46Å; R635-R637 VanDerWaalsContact C-N 3.25Å; R635-R637 PolarHBondContact O-N 3.31Å; R637-N640 CarbonylContact O-C 3.48Å
638Q76.7Confident73.4Confident133 Ų133102.4 Ų102.462%0.62150%0.496SS*.Hα-helixtrans-69.8-37.6175.4-75.5-179.9-3.300111.9Q634 R635 N640Q634-Q638 PolarHBondContact O-N 3.43Å; Q634-Q638 VanDerWaalsContact O-N 3.08Å; R635-Q638 PolarHBondContact O-N 3.03Å; R635-Q638 VanDerWaalsContact O-N 3.07Å; Q638-N640 VanDerWaalsContact C-N 3.27Å; Q638-N640 PolarHBondContact O-N 3.38Å
639D77.4Confident71.2Confident123 Ų123106.1 Ų106.166%0.65852%0.517SS*.Hα-helixtrans-72.4-18.4178.5-68.6-24.7000112.8R635R635-D639 PolarHBondContact O-N 3.06Å
640N70.9Confident69Low97 Ų97109.1 Ų109.152%0.51953%0.533SS..  trans-133.866.6-177.1-153.24.8000114.7E636 R637 Q638 K642E636-N640 PolarHBondContact O-N 2.87Å; R637-N640 CarbonylContact O-C 3.48Å; Q638-N640 VanDerWaalsContact C-N 3.27Å; Q638-N640 PolarHBondContact O-N 3.38Å; N640-K642 PolarHBondContact O-N 3.42Å; N640-K642 VanDerWaalsContact O-N 3.1Å
641P61.9Low66.7Low92 Ų92116 Ų11660%0.59756%0.559SS**THydrogen-bonded Turntrans-69.1-10.8-171.225.8-34.3000115.3L643P641-L643 VanDerWaalsContact C-N 3.33Å; P641-L643 PolarHBondContact O-N 3.44Å
642K55.6Low64Low179 Ų179121.5 Ų121.578%0.77859%0.59SS**THydrogen-bonded Turntrans-75.8-15-176.4-70.3-177.2179.7176.70114.2N640N640-K642 PolarHBondContact O-N 3.42Å; N640-K642 VanDerWaalsContact O-N 3.1Å
643L54.9Low61.3Low95 Ų95126.1 Ų126.150%0.49761%0.611SS.*THydrogen-bonded Turntrans-87.5-23.3-177.6-145.382000113.4P641P641-L643 VanDerWaalsContact C-N 3.33Å; P641-L643 PolarHBondContact O-N 3.44Å
644D48.8Very low58.7Low77 Ų77134.7 Ų134.741%0.41264%0.641SS.*THydrogen-bonded Turntrans-82.5-29-175-99.7-16.6000113.6M646 R647 S648D644-M646 PolarHBondContact O-N 2.81Å; D644-M646 VanDerWaalsContact O-N 3.09Å; D644-R647 PolarHBondContact O-N 2.96Å; D644-S648 PolarHBondContact O-N 3.21Å; D644-S648 VanDerWaalsContact O-N 3.15Å
645S51Low56.2Low94 Ų94142.7 Ų142.766%0.65768%0.675SS**THydrogen-bonded Turntrans-61.1-21.6176.6-164.10000113.2
646M46.8Very low53.8Low147 Ų147148.4 Ų148.472%0.72470%0.697SS**THydrogen-bonded Turntrans-87.8-22.4176.9-119.1-174.5-68.700113.4D644D644-M646 PolarHBondContact O-N 2.81Å; D644-M646 VanDerWaalsContact O-N 3.09Å
647R48.6Very low51.2Low167 Ų167154 Ų15463%0.6371%0.712SS**THydrogen-bonded Turntrans-95-24.5-177-72.9179.9174.3168.7-1113.3D644 I649D644-R647 PolarHBondContact O-N 2.96Å; R647-I649 VanDerWaalsContact C-N 3.31Å; R647-I649 PolarHBondContact O-N 3.23Å
648S46.2Very low48.9Very low88 Ų88151.2 Ų151.262%0.61571%0.708SS**G310 helixtrans-72-19.2-176.7-154.20000114.5D644 L650D644-S648 PolarHBondContact O-N 3.21Å; D644-S648 VanDerWaalsContact O-N 3.15Å; S648-L650 VanDerWaalsContact C-N 3.29Å; S648-L650 PolarHBondContact O-N 3.47Å
649I49.8Very low47.1Very low142 Ų142148.4 Ų148.473%0.72871%0.708SS**G310 helixtrans-73.6-20-179.4-64.2169.8000112.2R647R647-I649 VanDerWaalsContact C-N 3.31Å; R647-I649 PolarHBondContact O-N 3.23Å
650L47.1Very low45.5Very low155 Ų155149.8 Ų149.881%0.81270%0.704SS**G310 helixtrans-96.2-2.1-172.2-72.5167.6000115.1S648S648-L650 VanDerWaalsContact C-N 3.29Å; S648-L650 PolarHBondContact O-N 3.47Å
651R45.2Very low44.2Very low232 Ų232151 Ų15188%0.87572%0.715SS**  trans-1183.2-170-118.4-179-173.1-171.40.8116.2H653R651-H653 PolarHBondContact O-N 3.08Å
652N36.8Very low43.2Very low144 Ų144151.6 Ų151.677%0.7771%0.713SS**  trans-94.870.8-172.6-125.446.2000113
653H35.9Very low42.9Very low170 Ų170147.7 Ų147.779%0.78770%0.697SS**  trans-153.487.9155.6-87.2-56.4000109.9R651R651-H653 PolarHBondContact O-N 3.08Å
654R36.2Very low42.3Very low246 Ų246148.5 Ų148.593%0.92870%0.702SS**  trans-162.6101.7149.4-105.6168.3-159.2-165.14.4108.5R656R654-R656 PolarHBondContact O-N 3.42Å
655F36.3Very low42.1Very low206 Ų206150.6 Ų150.690%0.90471%0.709SS**  trans-52.4122.2171.8-79.8-97.2000110.6
656R36.8Very low41.9Very low242 Ų242149.7 Ų149.791%0.91370%0.695SS**  trans-106.3125.4156.4-112.8-178.1179.1173-1.2106.3R654R654-R656 PolarHBondContact O-N 3.42Å
657R31.1Very low41.9Very low255 Ų255148.8 Ų148.896%0.96269%0.689SS**  trans-54.5133.2174.7-106173.9172.7147.1-4.1109.6
658D32.2Very low41.5Very low91 Ų91146.8 Ų146.849%0.48769%0.688SS.*  trans-71.2134.6-178.2-106.6-29.9000112.4R660D658-R660 VanDerWaalsContact C-N 3.29Å; D658-R660 HydrophobicContact CB-CB 4.37Å; D658-R660 HydrophobicContact CB-CG 4.28Å; D658-R660 WeakPolarHBondContact OD1-CG 3.43Å; D658-R660 IonicContact OD1-CZ 2.94Å; D658-R660 IonicContact OD1-NE 2.94Å; D658-R660 PolarHBondContact OD1-NE 3.38Å; D658-R660 IonicContact OD1-NH2 3.26Å; D658-R660 PolarHBondContact OD1-NH2 3.3Å; D658-R660 IonicContact OD2-CZ 3.87Å; D658-R660 IonicContact OD2-NE 2.78Å; D658-R660 PolarHBondContact OD2-NE 2.58Å; D658-R660 IonicContact OD2-NH1 3.82Å; D658-R660 PolarHBondContact OD2-NH1 3.39Å; D658-R660 IonicContact OD2-NH2 3.92Å; D658-R660 PolarHBondContact OD2-NH2 3.02Å
659A40.5Very low41.6Very low75 Ų75147.9 Ų147.962%0.6268%0.679SS**  trans-86.32.1167.200000112.7T661 L662A659-T661 VanDerWaalsContact C-N 3.27Å; A659-T661 PolarHBondContact O-N 3.35Å; A659-L662 PolarHBondContact O-N 3.44Å
660R42.4Very low41.1Very low152 Ų152147.2 Ų147.257%0.57467%0.671SS**G310 helixtrans-67-18.4-170.7-63.9-173.5-151.2141.424.4115.2D658 L662 E663D658-R660 VanDerWaalsContact C-N 3.29Å; D658-R660 HydrophobicContact CB-CB 4.37Å; D658-R660 HydrophobicContact CB-CG 4.28Å; D658-R660 WeakPolarHBondContact OD1-CG 3.43Å; D658-R660 IonicContact OD1-CZ 2.94Å; D658-R660 IonicContact OD1-NE 2.94Å; D658-R660 PolarHBondContact OD1-NE 3.38Å; D658-R660 IonicContact OD1-NH2 3.26Å; D658-R660 PolarHBondContact OD1-NH2 3.3Å; D658-R660 IonicContact OD2-CZ 3.87Å; D658-R660 IonicContact OD2-NE 2.78Å; D658-R660 PolarHBondContact OD2-NE 2.58Å; D658-R660 IonicContact OD2-NH1 3.82Å; D658-R660 PolarHBondContact OD2-NH1 3.39Å; D658-R660 IonicContact OD2-NH2 3.92Å; D658-R660 PolarHBondContact OD2-NH2 3.02Å; R660-L662 PolarHBondContact O-N 2.91Å; R660-E663 WeakPolarHBondContact CG-OE2 3.21Å; R660-E663 PolarHBondContact O-N 2.79Å
661T44.7Very low40.9Very low121 Ų121145.3 Ų145.374%0.74266%0.662SS**G310 helixtrans-71.5-10.6177.6380000114.1A659A659-T661 VanDerWaalsContact C-N 3.27Å; A659-T661 PolarHBondContact O-N 3.35Å
662L41.2Very low40.7Very low105 Ų105138.5 Ų138.555%0.5565%0.646SS.*G310 helixtrans-94-18.9171.6-72.7167.3000112.6A659 R660 E666A659-L662 PolarHBondContact O-N 3.44Å; R660-L662 PolarHBondContact O-N 2.91Å; L662-E666 WeakPolarHBondContact O-CG 3.29Å; L662-E666 PolarHBondContact O-N 3.49Å
663E48.4Very low40.9Very low97 Ų97137.1 Ų137.145%0.45364%0.638SS.*Hα-helixtrans-71.5-33.2-178.7-71.6172.9162.800112R660 E665 E666 E667R660-E663 WeakPolarHBondContact CG-OE2 3.21Å; R660-E663 PolarHBondContact O-N 2.79Å; E663-E665 VanDerWaalsContact C-N 3.31Å; E663-E665 PolarHBondContact O-N 3.41Å; E663-E666 PolarHBondContact O-N 3.11Å; E663-E666 VanDerWaalsContact O-N 3.11Å; E663-E667 PolarHBondContact O-N 3.48Å
664D41.7Very low41Very low112 Ų112137 Ų13760%0.59964%0.638SS**Hα-helixtrans-67.1-27.5-178.3-68.3-17.4000113.3
665E46.3Very low41Very low121 Ų121131.9 Ų131.957%0.56563%0.629SS**Hα-helixtrans-83.3-28.7172.4-73.5177.4176.800111.6E663 M668E663-E665 VanDerWaalsContact C-N 3.31Å; E663-E665 PolarHBondContact O-N 3.41Å; E665-M668 HydrophobicContact CG-CE 4.44Å
666E46.2Very low41Very low76 Ų76129.1 Ų129.136%0.35562%0.624SS.*Hα-helixtrans-73.4-31.2176.9-72.5-179.2174.400112.9Y512 L662 E663Y512-E666 HydrophobicContact CD1-CG 4.31Å; L662-E666 WeakPolarHBondContact O-CG 3.29Å; L662-E666 PolarHBondContact O-N 3.49Å; E663-E666 PolarHBondContact O-N 3.11Å; E663-E666 VanDerWaalsContact O-N 3.11Å
667E45.8Very low40.9Very low127 Ų127125.5 Ų125.559%0.59362%0.622SS**Hα-helixtrans-72.8-26.6175.9-73.9-172.5173.100113.3E663 F670 N671E663-E667 PolarHBondContact O-N 3.48Å; E667-F670 PolarHBondContact O-N 3.14Å; E667-N671 PolarHBondContact O-ND2 3.23Å
668M41.8Very low41.3Very low125 Ų125122.4 Ų122.462%0.61662%0.618SS**Hα-helixtrans-73.1-30.9178.9-71.4-164.1-71.300113E665 F670 N671 T672E665-M668 HydrophobicContact CG-CE 4.44Å; M668-F670 VanDerWaalsContact C-N 3.32Å; M668-N671 PolarHBondContact O-N 3.21Å; M668-T672 PolarHBondContact O-OG1 2.67Å
669W46.9Very low41.2Very low112 Ų112126.3 Ų126.342%0.42464%0.639SS.*Hα-helixtrans-73.2-26175.2-16778.2000112.3N516 N671N516-W669 VanDerWaalsContact ND2-CZ3 3.3Å; N516-W669 WeakPolarHBondContact ND2-CZ3 3.32Å; W669-N671 VanDerWaalsContact C-N 3.34Å; W669-N671 PolarHBondContact O-N 3.41Å
670F39.5Very low40.7Very low127 Ų127126 Ų12656%0.55764%0.644SS**Hα-helixtrans-71.4-23.7175.6-114.3-91.4000114E667 M668E667-F670 PolarHBondContact O-N 3.14Å; M668-F670 VanDerWaalsContact C-N 3.32Å
671N42.5Very low40Very low116 Ų116128 Ų12862%0.6266%0.66SS**THydrogen-bonded Turntrans-92.6-6.3-176.2-69.7-37.1000114.3E667 M668 W669E667-N671 PolarHBondContact O-ND2 3.23Å; M668-N671 PolarHBondContact O-N 3.21Å; W669-N671 VanDerWaalsContact C-N 3.34Å; W669-N671 PolarHBondContact O-N 3.41Å
672T41.6Very low39.2Very low89 Ų89126.6 Ų126.655%0.54666%0.66SS.*THydrogen-bonded Turntrans-94.4-24.5-173.2-41.90000112.7M668M668-T672 PolarHBondContact O-OG1 2.67Å
673D42.1Very low38.9Very low114 Ų114128.4 Ų128.461%0.6168%0.675SS**SBendtrans-93.7-5.3-175.9-72.2-15.6000114.5
674E37.3Very low37.8Very low168 Ų168130.3 Ų130.379%0.78569%0.693SS**SBendtrans-91.2-18.9176.9-80.4-167.2163.100114.3
675D35.8Very low37.1Very low139 Ų139130.1 Ų130.174%0.74370%0.698SS**SBendtrans-103-6.3-170.8-82-19.2000115.9
676D35.4Very low36.6Very low147 Ų147130.4 Ų130.479%0.78671%0.71SS**THydrogen-bonded Turntrans-96.314.7-175.6-95.6-11.7000115.2
677L35.3Very low35.4Very low167 Ų167132.4 Ų132.487%0.87473%0.733SS**THydrogen-bonded Turntrans-123.511.7179.4-73.7173.8000116.3
678E39.7Very low34.8Very low189 Ų189134 Ų13488%0.88375%0.745SS**  trans-12494172.9-103.8-173.3175.500112.6
679D31.1Very low34.1Very low174 Ų174137.7 Ų137.793%0.9376%0.758SS**  -161.2137.2128.7-140.6-9.8000112.6
680G28.5Very low33.3Very low69 Ų69141.7 Ų141.771%0.71178%0.784SS**  trans136.866.1162.600000120.5
681E28.6Very low32.7Very low194 Ų194145 Ų14591%0.90780%0.798SS**  trans86.6109.1148.2-68.6-166148.400123.7
682A27.3Very low32.1Very low91 Ų91143.5 Ų143.575%0.75280%0.796SS**  76.189.6122.400000122.7
683V35.3Very low31.7Very low142 Ų142147.1 Ų147.186%0.86181%0.807SS**  trans8.5111.3141.1-166.80000120.4
684V25.7Very low31.2Very low137 Ų137148.6 Ų148.683%0.8381%0.81SS**  trans-153.8139.1136.2-164.20000109.4
685P26.7Very low31.2Very low109 Ų109146.9 Ų146.971%0.70881%0.806SS**  trans-100.5-179.6-177.641.9-35.6000112.8
686P35.5Very low31.4Very low127 Ų127147 Ų14783%0.82581%0.806SS**  -112.9158.6-75.235.5-20.7000111.8
687S21.6Very low31.4Very low118 Ų118145.8 Ų145.883%0.82580%0.797SS**  trans-145.8121.8160.760.60000112.1
688D33.1Very low31.4Very low161 Ų161143 Ų14386%0.86178%0.78SS**  trans-43.3135.1174.6-70.3-53.5000114.2
689K27.5Very low31.3Very low202 Ų202137.7 Ų137.788%0.87876%0.761SS**  trans-175.9119.2132.5-98.6162.9-170-169.70111
690M28.6Very low31.8Very low195 Ų195133.4 Ų133.496%0.96174%0.738SS**PPolyproline II helixtrans-54.7132.6167.6-70.5162.3117.600110.5
691K27.4Very low32.2Very low198 Ų198132.3 Ų132.386%0.86172%0.719SS**PPolyproline II helixtrans-87.2127.1160.5-83.6-175.4171.7-1730108.5
692S29.1Very low32.8Very low83 Ų83128.5 Ų128.558%0.5870%0.699SS**PPolyproline II helixtrans-85.1161.2-175.336.50000113E694S692-E694 PolarHBondContact O-N 2.94Å
693E33.9Very low33.5Very low166 Ų166129.7 Ų129.778%0.77669%0.688SS**G310 helixtrans-59.813.9178.5-66173.7134.200116.1
694E32.2Very low33.6Very low144 Ų144128.6 Ų128.667%0.67368%0.675SS**G310 helixtrans-77.8-27.5-174.1-88.7173.814400114.3S692 L696 M697S692-E694 PolarHBondContact O-N 2.94Å; E694-L696 PolarHBondContact O-N 2.92Å; E694-M697 PolarHBondContact O-N 3.13Å
695D36.1Very low34.3Very low132 Ų132128.1 Ų128.171%0.70666%0.664SS**G310 helixtrans-69.6-15.6-176.4-82.9-14.9000113.8
696L41.5Very low34.8Very low141 Ų141131.2 Ų131.274%0.73866%0.661SS**G310 helixtrans-90.4-11176.7-78.9160.1000113.5E694E694-L696 PolarHBondContact O-N 2.92Å
697M35.7Very low35Very low122 Ų122132.8 Ų132.860%0.60166%0.655SS**THydrogen-bonded Turntrans-97.5-9.6-173.6-160.6170.1-70.700113.1E694 S701E694-M697 PolarHBondContact O-N 3.13Å; M697-S701 WeakPolarHBondContact O-CB 3.46Å; M697-S701 PolarHBondContact O-N 3.46Å; M697-S701 VanDerWaalsContact O-N 3.11Å; M697-S701 PolarHBondContact O-OG 3.34Å
698E34.5Very low35.8Very low110 Ų110135.2 Ų135.251%0.51465%0.651SS.*Hα-helixtrans-70.4-39.6-175-144.6-176.9179.900114.4K702E698-K702 PolarHBondContact O-N 2.97Å; E698-K702 VanDerWaalsContact O-N 3.15Å
699P38.1Very low35.8Very low76 Ų76132.3 Ų132.349%0.49464%0.635SS.*Hα-helixtrans-66.9-40.6177.3-20.433000112.5K702 F703P699-K702 PolarHBondContact O-N 3.01Å; P699-F703 PolarHBondContact O-N 3.43Å
700I40.3Very low36.1Very low85 Ų85129.8 Ų129.844%0.43662%0.624SS.*Hα-helixtrans-70.4-39-178.6-60.2172.9000111.2F703 M704I700-F703 PolarHBondContact O-N 2.91Å; I700-M704 HydrophobicContact CG2-CE 4.39Å; I700-M704 PolarHBondContact O-N 3.5Å; I700-M704 VanDerWaalsContact O-N 3.11Å
701S37Very low36.3Very low45 Ų45127.9 Ų127.932%0.31562%0.618SS.*Hα-helixtrans-68.7-39.5177.8-58.80000111.8M697 F703 M704 E705M697-S701 WeakPolarHBondContact O-CB 3.46Å; M697-S701 PolarHBondContact O-N 3.46Å; M697-S701 VanDerWaalsContact O-N 3.11Å; M697-S701 PolarHBondContact O-OG 3.34Å; S701-F703 VanDerWaalsContact C-N 3.3Å; S701-F703 PolarHBondContact O-N 3.49Å; S701-M704 PolarHBondContact O-N 3.33Å; S701-E705 WeakPolarHBondContact O-CB 3.48Å; S701-E705 WeakPolarHBondContact O-CG 3.48Å; S701-E705 PolarHBondContact O-N 2.97Å
702K42.1Very low36.5Very low114 Ų114123.5 Ų123.550%0.49661%0.608SS.*Hα-helixtrans-61-36.2174.6-85.8175.3178.5162.90112.9E698 P699 R706E698-K702 PolarHBondContact O-N 2.97Å; E698-K702 VanDerWaalsContact O-N 3.15Å; P699-K702 PolarHBondContact O-N 3.01Å; K702-R706 WeakPolarHBondContact O-CG 3.22Å; K702-R706 PolarHBondContact O-N 3.27Å; K702-R706 VanDerWaalsContact O-N 3.1Å
703F40.6Very low36.4Very low116 Ų116127 Ų12751%0.50962%0.615SS.*Hα-helixtrans-75.4-42.4178-172.9-98.9000112.8P699 I700 S701 E705 R706 K707P699-F703 PolarHBondContact O-N 3.43Å; I700-F703 PolarHBondContact O-N 2.91Å; S701-F703 VanDerWaalsContact C-N 3.3Å; S701-F703 PolarHBondContact O-N 3.49Å; F703-E705 PolarHBondContact O-N 3.33Å; F703-R706 PolarHBondContact O-N 3.31Å; F703-K707 PolarHBondContact O-N 3.2Å; F703-K707 VanDerWaalsContact O-N 3.15Å
704M37.5Very low36.2Very low120 Ų120127 Ų12759%0.59162%0.62SS**Hα-helixtrans-63.1-30.7174.5-74.2-159.3-66.700112.9I700 S701 K708I700-M704 HydrophobicContact CG2-CE 4.39Å; I700-M704 PolarHBondContact O-N 3.5Å; I700-M704 VanDerWaalsContact O-N 3.11Å; S701-M704 PolarHBondContact O-N 3.33Å; M704-K708 PolarHBondContact O-N 2.75Å
705E41Very low36.1Very low127 Ų127129 Ų12959%0.59363%0.627SS**Hα-helixtrans-73.6-39172.3-75.5-175.8162.900112.6S701 F703 K707 K708 L709S701-E705 WeakPolarHBondContact O-CB 3.48Å; S701-E705 WeakPolarHBondContact O-CG 3.48Å; S701-E705 PolarHBondContact O-N 2.97Å; F703-E705 PolarHBondContact O-N 3.33Å; E705-K707 VanDerWaalsContact C-N 3.28Å; E705-K707 PolarHBondContact O-N 3.22Å; E705-K708 PolarHBondContact O-N 3.07Å; E705-K708 VanDerWaalsContact O-N 3.11Å; E705-L709 PolarHBondContact O-N 3.08Å
706R37.5Very low35.6Very low174 Ų174131.2 Ų131.266%0.65763%0.632SS**Hα-helixtrans-57.7-38.7173.3-82.1179.8-169.5165.74112.5K702 F703 K708 L709 K710K702-R706 WeakPolarHBondContact O-CG 3.22Å; K702-R706 PolarHBondContact O-N 3.27Å; K702-R706 VanDerWaalsContact O-N 3.1Å; F703-R706 PolarHBondContact O-N 3.31Å; R706-K708 VanDerWaalsContact C-N 3.35Å; R706-L709 PolarHBondContact O-N 2.91Å; R706-K710 PolarHBondContact O-N 3.21Å
707K40.4Very low34.9Very low159 Ų159130.5 Ų130.569%0.69163%0.634SS**Hα-helixtrans-70.5-28.7177.5-159.4173.9-175.5164.40113.1F703 E705F703-K707 PolarHBondContact O-N 3.2Å; F703-K707 VanDerWaalsContact O-N 3.15Å; E705-K707 VanDerWaalsContact C-N 3.28Å; E705-K707 PolarHBondContact O-N 3.22Å
708K37.3Very low34.4Very low170 Ų170132.9 Ų132.974%0.73965%0.648SS**Hα-helixtrans-78.5-28.4174.7-90.5-178.6175.6174.80113.8M704 E705 R706M704-K708 PolarHBondContact O-N 2.75Å; E705-K708 PolarHBondContact O-N 3.07Å; E705-K708 VanDerWaalsContact O-N 3.11Å; R706-K708 VanDerWaalsContact C-N 3.35Å
709L33.3Very low33.9Very low100 Ų100130.9 Ų130.952%0.52466%0.657SS.*Hα-helixtrans-78.9-30.4178.6-77.8153.4000112.2E705 R706 D711 T712E705-L709 PolarHBondContact O-N 3.08Å; R706-L709 PolarHBondContact O-N 2.91Å; L709-D711 VanDerWaalsContact C-N 3.3Å; L709-D711 PolarHBondContact O-N 3.27Å; L709-T712 PolarHBondContact O-N 3.36Å; L709-T712 VanDerWaalsContact O-N 3.09Å; L709-T712 PolarHBondContact O-OG1 3.39Å
710K33.8Very low33.3Very low149 Ų149136.9 Ų136.965%0.64868%0.675SS**Hα-helixtrans-66.7-24.7-179.1-128.3174.6-178.7176.50114.4D373 R706 T712D373-K710 IonicContact OD2-NZ 2.88Å; D373-K710 PolarHBondContact OD2-NZ 3.3Å; R706-K710 PolarHBondContact O-N 3.21Å; K710-T712 PolarHBondContact O-N 3.29Å
711D32.6Very low32.4Very low155 Ų155137.9 Ų137.983%0.82969%0.689SS**THydrogen-bonded Turntrans-78-2.4173.7-85.9-12.8000113.6L709L709-D711 VanDerWaalsContact C-N 3.3Å; L709-D711 PolarHBondContact O-N 3.27Å
712T31.6Very low31.7Very low106 Ų106140.3 Ų140.365%0.6571%0.707SS**THydrogen-bonded Turntrans-123.2-4.1-172.235.40000116.7L709 K710L709-T712 PolarHBondContact O-N 3.36Å; L709-T712 VanDerWaalsContact O-N 3.09Å; L709-T712 PolarHBondContact O-OG1 3.39Å; K710-T712 PolarHBondContact O-N 3.29Å
713E27.8Very low30.8Very low157 Ų157142.1 Ų142.173%0.73472%0.721SS**  trans-121.551.3-174.9-72.4-169.115200114.3K715E713-K715 VanDerWaalsContact C-N 3.26Å; E713-K715 PolarHBondContact O-N 2.85Å
714D29.9Very low30Very low164 Ų164142 Ų14288%0.87774%0.735SS**  trans-78.781.5147-90.8-27.5000108.7
715K28.7Very low29.2Very low188 Ų188139.5 Ų139.582%0.81774%0.74SS**  trans-179.6124.6152-103.1165.7-171.3-173.60113.8E713E713-K715 VanDerWaalsContact C-N 3.26Å; E713-K715 PolarHBondContact O-N 2.85Å
716E26.1Very low28.3Very low177 Ų177144.1 Ų144.183%0.82775%0.752SS**  trans87.889.3152.3-62.2-171.2166.500120.9
717V26.4Very low27.7Very low127 Ų127143.6 Ų143.677%0.7776%0.757SS**  57.8116.2107.2179.10000121.4
718L25.9Very low26.8Very low171 Ų171143.5 Ų143.590%0.89576%0.764SS**  trans69119.9143.2-72.3164.2000122.5
719G23.5Very low26.2Very low68 Ų68140.6 Ų140.670%0.70176%0.762SS**  138.1107.2110.500000120.7
720K25.4Very low25.6Very low203 Ų203141.1 Ų141.188%0.88377%0.774SS**  trans85.8117.5134.7-66.6-176177.91780122.7
721S22.9Very low25.1Very low105 Ų105143.5 Ų143.573%0.73479%0.785SS**  102.8109.711467.70000121.9
722S21.1Very low24.5Very low97 Ų97145.5 Ų145.568%0.67879%0.786SS**  83.7123.2113.582.90000121.4
723L23.4Very low24Very low152 Ų152148.8 Ų148.880%0.79680%0.799SS**  157.2134.7101.1-90.7164000114.5
724S23.1Very low23.6Very low113 Ų113146.4 Ų146.479%0.7980%0.799SS**  trans60.4132.3145640000119.9
725G21.3Very low23.2Very low68 Ų68148.3 Ų148.370%0.70180%0.8SS**  cis116.2111.619.500000110.5
726R23.3Very low22.9Very low223 Ų223145.1 Ų145.184%0.84280%0.801SS**  trans166.4115.8152-99.9174.9170.6-177.1-2.1111.6
727Q23.6Very low22.6Very low164 Ų164139.8 Ų139.877%0.76679%0.794SS**  91.29996-80.8-177.5-6.100114.9
728N22.2Very low22.4Very low157 Ų157139.5 Ų139.584%0.8480%0.798SS**  trans-60.9152.7158.8-92.2-0.7000112.4
729P24.5Very low22.2Very low108 Ų108137 Ų13770%0.70179%0.79SS**  trans-124.2124.6142.331.7-17.2000112.3
730S20.5Very low22.2Very low111 Ų111142.1 Ų142.178%0.77679%0.793SS**  trans-64.3142.5166.5-47.70000112
731F23Very low22Very low200 Ų200138.4 Ų138.488%0.87779%0.787SS**  trans-134.1121.8159.1-92-82.2000112
732K20.3Very low21.9Very low197 Ų197138.1 Ų138.186%0.85779%0.785SS**  trans-83.2135.7166.3-75.3175.5172.4173.70109
733L21.8Very low21.8Very low175 Ų175141.4 Ų141.492%0.91679%0.794SS**  trans-142.4144.9147.2-82.1178000113.4
734S20Very low21.8Very low106 Ų106138.1 Ų138.174%0.74179%0.789SS**  trans-72.5148.5-167.544.10000116.4
735F20.4Very low21.7Very low205 Ų205138.2 Ų138.290%0.89979%0.789SS**  trans-60.3140.7161.5-101.1-99.7000113.3
736S22.1Very low22.2Very low120 Ų120140.8 Ų140.884%0.83979%0.794SS**  trans-146.2113.5147640000109.8
737G20.5Very low22.3Very low65 Ų65135.9 Ų135.967%0.6779%0.791SS**  trans-86.4160.1175.400000112.9
738S21.4Very low22.3Very low122 Ų122133.3 Ų133.385%0.85379%0.791SS**  trans-164.3108.2149.7-79.80000111.6
739T21.4Very low22.4Very low118 Ų118131.5 Ų131.572%0.72479%0.791SS**  trans-19.5142.3149.652.90000117.7
740K23.2Very low22.4Very low176 Ų176131.4 Ų131.477%0.76580%0.799SS**  161.1129.480.5-123.1161.9-163-170.40113.3
741T21.3Very low22.5Very low125 Ų125131.3 Ų131.377%0.76780%0.798SS**  trans53.6130.1135.4550000123.5
742S21.1Very low22.5Very low98 Ų98129.7 Ų129.769%0.68580%0.798SS**  151.4110.9110.5174.60000116.1
743L20.6Very low22.7Very low166 Ų166127.5 Ų127.587%0.86980%0.796SS**  trans56.6128.3131.6-73.8136.3000124.1
744A21.6Very low23.2Very low83 Ų83125.5 Ų125.569%0.68679%0.793SS**  116.1110.612200000120.5
745S22.1Very low23.3Very low115 Ų115124.2 Ų124.280%0.80480%0.797SS**  80.1129.6129.3-48.20000122.2
746P31.7Very low23.5Very low122 Ų122120.1 Ų120.179%0.79279%0.794SS**  trans-102169.7172.139.7-31.6000113.1
747P25.7Very low23.8Very low120 Ų120120.7 Ų120.778%0.77979%0.794SS**  trans-130.9124.2154.233.1-17000115
748S22.7Very low23.9Very low110 Ų110121.3 Ų121.377%0.76980%0.801SS**  45109.2122.2-41.80000123.6
749S24.9Very low24Very low120 Ų120121.2 Ų121.284%0.83980%0.8SS**  50.9133.7122.966.10000124.2
750A23.5Very low24.4Very low106 Ų106122 Ų12288%0.87681%0.807SS**  -165.5136.8126.700000112.7
751S23.4Very low24.4Very low108 Ų108117.3 Ų117.376%0.75581%0.809SS**  trans-72.4165.4-177-178.50000114.4
752L23.9Very low24.6Very low167 Ų167117.1 Ų117.187%0.87481%0.813SS**  175.7119.7126.2-88.6164.4000111.9
753N24.4Very low25Very low151 Ų151118.8 Ų118.881%0.80782%0.821SS**  trans-102.5161.7157.9-94.5-2.6000109
754P30.6Very low25Very low133 Ų133114 Ų11486%0.86481%0.812SS**  -153.6155.4102.135.8-16.9000116.8
755G22.2Very low25.1Very low79 Ų79116.2 Ų116.281%0.81482%0.823SS**  trans126.598.6133.900000119.1
756S24.1Very low25.1Very low119 Ų119114.4 Ų114.483%0.83282%0.822SS**  trans-85.1165.4150-570000109.9
757P29.1Very low24.7Very low132 Ų132113.9 Ų113.986%0.85783%0.828SS**  -154.8158.192.236.9-17.6000116.7
758G22.8Very low24.6Very low78 Ų78120 Ų12080%0.80484%0.835SS**  trans126.597.8135.700000118.5
759S24.6Very low24.6Very low119 Ų119120.2 Ų120.283%0.83284%0.837SS**  trans-89.2159144.8-55.40000108.6
760P30Very low24.6Very low135 Ų135119.6 Ų119.688%0.87783%0.833SS**  -156.6163.291.337.5-17.7000116.7
761G22.8Very low24.6Very low78 Ų78120.5 Ų120.580%0.80483%0.829SS**  trans133.897.3139.200000117.8
762S23.9Very low24.7Very low121 Ų121121 Ų12185%0.84683%0.83SS**  trans-95.1154.2149.8-65.10000108.8
763P30.6Very low24.6Very low132 Ų132122.5 Ų122.586%0.85784%0.835SS**  -154.8159.291.337.1-17.5000117.1
764G21.4Very low24.6Very low67 Ų67121.4 Ų121.469%0.69183%0.834SS**  trans118.289.7131.400000120.9
765S23.6Very low24.1Very low129 Ų129119.9 Ų119.990%0.90283%0.833SS**  trans51.5125.4131630000123.5
766G21.5Very low24.2Very low77 Ų77122.4 Ų122.479%0.79483%0.832SS**  trans142.4116.8131.800000119.5
767A21.9Very low24.2Very low110 Ų110122.5 Ų122.591%0.90983%0.828SS**  trans98.8143.2145.900000121.6
768R25.1Very low24Very low249 Ų249122.9 Ų122.994%0.9483%0.828SS**  trans-67.5143.8-170.5-67.2165.6166.8175.2-5.6114.7
769S23.2Very low24.1Very low115 Ų115128.5 Ų128.580%0.80483%0.83SS**  trans-164.8137.5143.353.70000111.9
770S23.2Very low24.7Very low107 Ų107127.2 Ų127.275%0.74884%0.835SS**PPolyproline II helixtrans-53.9147.7171.341.30000114.1
771P24.7Very low24.7Very low124 Ų124123 Ų12381%0.80582%0.817SS**PPolyproline II helixtrans-85.1144.1175.532.8-30.2000112.2
772P25.3Very low25.2Very low119 Ų119123.8 Ų123.877%0.77380%0.802SS**PPolyproline II helixtrans-83.5154170.434.5-30.6000111.3T774P772-T774 PolarHBondContact O-N 2.94Å
773M21.5Very low25.9Very low199 Ų199122.7 Ų122.798%0.9879%0.79SS**PPolyproline II helixtrans-56.1127.7173.6-73.4169.2163.600111.8
774T23.6Very low26.5Very low127 Ų127117.3 Ų117.378%0.77976%0.758SS**PPolyproline II helixtrans-87.4122.1169.637.50000110.4P772 V776P772-T774 PolarHBondContact O-N 2.94Å; T774-V776 PolarHBondContact O-N 3.26Å
775A21.9Very low27.1Very low101 Ų101114.8 Ų114.884%0.83573%0.729SS**PPolyproline II helixtrans-63.5126.1163.300000109.3
776V23.8Very low27.8Very low133 Ų133109.7 Ų109.781%0.80669%0.692SS**  trans-86.9113.5175.2176.30000108T774T774-V776 PolarHBondContact O-N 3.26Å
777T22.6Very low28.5Very low120 Ų120111.3 Ų111.374%0.73668%0.683SS**  trans-71.4123.2162.646.90000108.9K779T777-K779 PolarHBondContact O-N 3.39Å
778T25.3Very low29.5Very low141 Ų141107.7 Ų107.787%0.86565%0.646SS**  trans-62.6114.8171.439.10000109.8
779K26.2Very low30Very low196 Ų19699.5 Ų99.585%0.85263%0.625SS**  trans-101130.1165.2-93.7-168.8172.9-172.30108.2T777T777-K779 PolarHBondContact O-N 3.39Å
780G35.7Very low30.5Very low91 Ų91100.2 Ų100.294%0.93862%0.62SS**  trans-55.9133.6177.900000112.5
781G30.9Very low31.1Very low47 Ų47101.6 Ų101.649%0.48562%0.619SS.*  trans-160.771.9-177.600000109.8
782L33.9Very low31.6Very low95 Ų95103.1 Ų103.150%0.49762%0.62SS.*  trans-145.2108.6156-94.8117.7000106.1Y265 M273Y265-L782 HydrophobicContact CE2-CD2 3.82Å; M273-L782 HydrophobicContact CE-CD1 4.36Å
783V38.7Very low31.9Very low98 Ų98106.1 Ų106.159%0.59462%0.624SS**  trans-124.8110.9168.5-1790000105.7Q268Q268-V783 PolarHBondContact NE2-O 3.1Å
784G41.6Very low32.3Very low18 Ų18105.5 Ų105.519%0.18662%0.619CS.*SBendtrans-161.9150.2179.900000108.1E337 V786E337-G784 VanDerWaalsContact CD-O 3.31Å; E337-G784 VanDerWaalsContact OE1-C 3.28Å; E337-G784 PolarHBondContact OE1-N 2.87Å; E337-G784 VanDerWaalsContact OE2-O 3.12Å; G784-V786 CarbonylContact O-C 3.56Å; G784-V786 PolarHBondContact O-N 3.25Å
785L35.2Very low32.6Very low14 Ų14108.3 Ų108.37%0.07362%0.623CS.*SBendtrans-41.9-7.2-169.7-86.7155.5000118.8I300 F334 E337 F341I300-L785 HydrophobicContact CG2-CD1 3.72Å; F334-L785 HydrophobicContact CD2-CD2 4.03Å; F334-L785 HydrophobicContact CE2-CD2 3.69Å; F334-L785 HydrophobicContact CZ-CD2 4.32Å; E337-L785 HydrophobicContact CB-CD2 4.28Å; E337-L785 WeakPolarHBondContact OE2-CA 3.16Å; E337-L785 PolarHBondContact OE2-N 2.97Å; F341-L785 HydrophobicContact CD2-CD1 3.9Å; F341-L785 HydrophobicContact CD2-CG 4.44Å; F341-L785 HydrophobicContact CE2-CD1 3.25Å; F341-L785 HydrophobicContact CE2-CG 3.81Å; F341-L785 HydrophobicContact CZ-CD1 3.85Å; F341-L785 HydrophobicContact CZ-CG 3.94Å
786V37.3Very low32.9Very low23 Ų23112.4 Ų112.414%0.13963%0.625CS.*SBendtrans-147.3119.5-176.5-171.60000109F246 K247 G784F246-V786 HydrophobicContact CD2-CG1 4.46Å; F246-V786 HydrophobicContact CD2-CG2 4Å; F246-V786 HydrophobicContact CE2-CG2 3.76Å; K247-V786 HydrophobicContact CB-CG1 3.74Å; K247-V786 WeakPolarHBondContact O-CG1 3.39Å; G784-V786 CarbonylContact O-C 3.56Å; G784-V786 PolarHBondContact O-N 3.25Å
787D37.9Very low33.2Very low111 Ų111115.2 Ų115.259%0.59463%0.629SS**  trans-72.3136169.1-98.9-29.3000111.2
788Y41.3Very low33.4Very low33 Ų33118.8 Ų118.813%0.12964%0.637CS.*  trans-105.6118.7171-67.6-82.6000107.7A244 R245 Y265 D790A244-Y788 VanDerWaalsContact CA-CE1 3.41Å; A244-Y788 HydrophobicContact CB-CD1 3.54Å; A244-Y788 HydrophobicContact CB-CE1 3.41Å; A244-Y788 VanDerWaalsContact CB-CE1 3.41Å; A244-Y788 HydrophobicContact CB-CG 4.23Å; R245-Y788 VanDerWaalsContact O-CD1 3.3Å; R245-Y788 WeakPolarHBondContact O-CD1 3.23Å; R245-Y788 VanDerWaalsContact O-CE1 3.24Å; R245-Y788 WeakPolarHBondContact O-CE1 3.43Å; Y265-Y788 HydrophobicContact CD1-CE2 4.04Å; Y265-Y788 AromaticContact CD1-CZ 3.95Å; Y265-Y788 WeakPolarHBondContact CD1-OH 3.45Å; Y265-Y788 HydrophobicContact CD2-CD2 4.44Å; Y265-Y788 AromaticContact CD2-CE2 3.61Å; Y265-Y788 HydrophobicContact CD2-CE2 3.61Å; Y265-Y788 HydrophobicContact CE1-CD2 4.37Å; Y265-Y788 HydrophobicContact CE1-CE1 4.42Å; Y265-Y788 AromaticContact CE1-CE2 3.57Å; Y265-Y788 HydrophobicContact CE1-CE2 3.57Å; Y265-Y788 AromaticContact CE1-CZ 3.54Å; Y265-Y788 WeakPolarHBondContact CE1-OH 3.22Å; Y265-Y788 AromaticContact CE2-CD2 3.57Å; Y265-Y788 HydrophobicContact CE2-CD2 3.57Å; Y265-Y788 AromaticContact CE2-CE2 3.1Å; Y265-Y788 HydrophobicContact CE2-CE2 3.1Å; Y265-Y788 AromaticContact CE2-CZ 3.97Å; Y265-Y788 HydrophobicContact CG-CE2 4.05Å; Y265-Y788 AromaticContact CZ-CD2 3.52Å; Y265-Y788 AromaticContact CZ-CE2 3.07Å; Y265-Y788 AromaticContact CZ-CZ 3.55Å; Y265-Y788 WeakPolarHBondContact OH-CD2 3.46Å; Y265-Y788 WeakPolarHBondContact OH-CE2 3.49Å; Y788-D790 PolarHBondContact O-N 3.39Å
789P36Very low33.6Very low78 Ų78121.4 Ų121.451%0.50664%0.64SS.*  trans-67.2124.3178.125.9-31.1000109.8D791P789-D791 PolarHBondContact O-N 3.24Å
790D33.7Very low33.6Very low129 Ų129120.4 Ų120.469%0.6964%0.644SS**  trans-76.8101.9165.9-72.3-33.3000107.7Y788 D792Y788-D790 PolarHBondContact O-N 3.39Å; D790-D792 PolarHBondContact O-N 3.42Å
791D36.3Very low33.2Very low136 Ų136119.7 Ų119.773%0.72764%0.636SS**  trans-80.694.3169.2-81.4-24.4000108.3P789 E793P789-D791 PolarHBondContact O-N 3.24Å; D791-E793 PolarHBondContact O-N 3.03Å; D791-E793 VanDerWaalsContact O-N 3.14Å
792D35.5Very low33.1Very low157 Ų157126.4 Ų126.484%0.8466%0.655SS**  trans-74.986.2165.2-76.5-33.3000109.6D790D790-D792 PolarHBondContact O-N 3.42Å
793E31.2Very low32.9Very low181 Ų181127.2 Ų127.285%0.84667%0.669SS**  trans-111.998158.8-72.6-167.6168.600109D791 E795D791-E793 PolarHBondContact O-N 3.03Å; D791-E793 VanDerWaalsContact O-N 3.14Å; E793-E795 PolarHBondContact O-N 3.09Å
794E30.6Very low32.5Very low187 Ų187131.2 Ų131.287%0.87468%0.678SS**  trans-67.1107.3167.3-71.9-175.9158.800109.2E796E794-E796 PolarHBondContact O-N 3.15Å
795E28.7Very low31.8Very low186 Ų186138.1 Ų138.187%0.86971%0.706SS**  trans-73107.2164.4-74-174.2157.900109.1E793 E797E793-E795 PolarHBondContact O-N 3.09Å; E795-E797 PolarHBondContact O-N 3.42Å
796E28.5Very low31.5Very low186 Ų186144.2 Ų144.287%0.86974%0.738SS**  trans-71.3110.9168.3-74.2-173161.800110E794E794-E796 PolarHBondContact O-N 3.15Å
797E29.5Very low31Very low192 Ų192147.9 Ų147.990%0.89777%0.765SS**  trans-73124.4170.2-76.2-172.5156.800111.4E795E795-E797 PolarHBondContact O-N 3.42Å
798E27.7Very low30.6Very low195 Ų195150.9 Ų150.991%0.91178%0.78SS**  trans-68.3130.3166.7-66.4-177.4153.600110.8
799E28.8Very low30.4Very low196 Ų196154.3 Ų154.392%0.91681%0.806SS**  trans-130.2117160.3-138.2-176.2-167.500111.3
800D27Very low30.4Very low175 Ų175155.6 Ų155.694%0.93682%0.815SS**  trans-63145.7176-90.5-43.4000113.3
801G28Very low30.1Very low76 Ų76155.5 Ų155.578%0.78482%0.819SS**  trans-174.188.5169.300000114.7
802E28.7Very low29.7Very low189 Ų189158.5 Ų158.588%0.88383%0.826SS**  trans-51.5141176.4-62.9178.1134.400115.2
803S28.4Very low29.4Very low112 Ų112160.7 Ų160.778%0.78383%0.828SS**  172.6125.1110.446.20000116.2
804K29.8Very low29.2Very low182 Ų182156.6 Ų156.679%0.79182%0.819SS**  trans77.4121140.8-71.2-174.4175.4-174.10123.3
805E27.8Very low29.1Very low163 Ų163156.4 Ų156.476%0.76282%0.815SS**  trans46.7125.6133.9-66173.8147.800117.1
806D28.3Very low29.1Very low141 Ų141154.7 Ų154.775%0.75481%0.811SS**  cis-176.2151.546.6-134.3-21000111.7
807S27.4Very low29.2Very low101 Ų101151.2 Ų151.271%0.70681%0.807SS**  trans67103.4149.871.20000123.4
808L29.8Very low29.6Very low173 Ų173151.1 Ų151.191%0.90683%0.828SS**  trans35.6144.4131.3-70.4159.5000123.8
809P36.5Very low29.7Very low105 Ų105148.9 Ų148.968%0.68282%0.824SS**  trans-94.9174.7-173.744.7-38.8000112
810P37.6Very low29.7Very low106 Ų106146.4 Ų146.469%0.68882%0.819SS**  -162.6164.984.140.6-17.6000119.2
811T26.1Very low29.9Very low126 Ų126144.8 Ų144.877%0.77381%0.812SS**  trans68.2118.413753.50000123.7
812K28.5Very low30Very low200 Ų200148.9 Ų148.987%0.8781%0.814SS**  23.2119.9127.2-72.6-179175.6176.90118.1
813K27.9Very low30Very low203 Ų203146.4 Ų146.488%0.88381%0.81SS**  -172.9129.1114.1-104.7171.2-176.3176.30114
814S28.2Very low30.2Very low94 Ų94148.7 Ų148.766%0.65781%0.811SS**  trans-20.7144.2152.358.80000119.3
815K27.8Very low30.2Very low183 Ų183146.3 Ų146.380%0.79681%0.813SS**  154.8114.9120.5-88.8-170.8175-178.40109.9
816L29.8Very low30.4Very low151 Ų151145 Ų14579%0.79182%0.817SS**  79.213392.5-101.2161.3000114.7
817S28.9Very low30.5Very low112 Ų112145.3 Ų145.378%0.78382%0.822SS**  trans73128.9171.870.90000115.4
818S38Very low30.8Very low190 Ų190149.4 Ų149.4100%1.32983%0.832SS**  cis-142031.7-56.10000112.7

Retrieved 818 of 818 residues in 192.7 ms (Link to these results)

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