A0A096N8N9_PAPAN Loading...

Chitinase-3-like protein 1

AlphaFold DB , UniProt , Accession A0A096N8N9, Species PAPAN (Papio anubis, Olive baboon), Gene CHI3L1, Length 383 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M34.5Very low35.9Very low234 Ų234141.3 Ų141.3100%1.15382%0.822SS**  0102.30-77.8166.113700106.8
2C29.6Very low36.4Very low125 Ų125137.9 Ų137.985%0.84581%0.805SS**  62.6125.9106.7-78.60000112.2
3V32Very low36.7Very low110 Ų110137.5 Ų137.567%0.66780%0.796SS**  cis-172.6142.426.1118.20000110.5
4K31.3Very low37.1Very low193 Ų193134.9 Ų134.984%0.83978%0.783SS**  trans59.496.2149.7-62173.2-168.2-179.50120.6
5A35.5Very low37.3Very low99 Ų99135.3 Ų135.382%0.81878%0.78SS**  trans-89120.5143.200000108.5Q7A5-Q7 PolarHBondContact O-N 3.35Å
6A36.3Very low37.5Very low95 Ų95136.3 Ų136.379%0.78578%0.781SS**  trans-69.7112.5175.600000109.5T8A6-T8 PolarHBondContact O-N 3.27Å
7Q36.7Very low37.7Very low192 Ų192137.5 Ų137.590%0.89778%0.778SS**  trans-79.1102.9165.9-79.9-180-36.300108.5A5 G9A5-Q7 PolarHBondContact O-N 3.35Å; Q7-G9 PolarHBondContact O-N 3.1Å; Q7-G9 VanDerWaalsContact O-N 3.1Å
8T41Very low37.9Very low134 Ų134136.1 Ų136.182%0.82278%0.777SS**  trans-72.895.5164.1-19.30000107.3A6 F10A6-T8 PolarHBondContact O-N 3.27Å; T8-F10 PolarHBondContact O-N 3.01Å; T8-F10 VanDerWaalsContact O-N 3.09Å
9G36.1Very low38.3Very low66 Ų66134.9 Ų134.968%0.6878%0.777SS**  trans-66.8102.6172.500000110.1Q7 V11Q7-G9 PolarHBondContact O-N 3.1Å; Q7-G9 VanDerWaalsContact O-N 3.1Å; G9-V11 PolarHBondContact O-N 3.09Å
10F41.4Very low39.2Very low189 Ų189131.9 Ų131.983%0.82976%0.764SS**  trans-75.282.6163.8-131.1-87.7000107.2T8 V12T8-F10 PolarHBondContact O-N 3.01Å; T8-F10 VanDerWaalsContact O-N 3.09Å; F10-V12 HydrophobicContact CD1-CG2 3.76Å; F10-V12 HydrophobicContact CE1-CG2 4.38Å; F10-V12 PolarHBondContact O-N 2.95Å
11V40.8Very low41.4Very low117 Ų117129.9 Ų129.971%0.70976%0.762SS**  trans-70.988.9163.6178.20000105.7G9 L13G9-V11 PolarHBondContact O-N 3.09Å; V11-L13 HydrophobicContact CG1-CB 4.45Å; V11-L13 HydrophobicContact CG1-CD1 4.13Å; V11-L13 HydrophobicContact CG1-CG 4.42Å; V11-L13 PolarHBondContact O-N 2.88Å
12V41.7Very low44.5Very low101 Ų101121.4 Ų121.461%0.61272%0.718SS**  trans-65.990.4158.1-174.90000105F10 V14F10-V12 HydrophobicContact CD1-CG2 3.76Å; F10-V12 HydrophobicContact CE1-CG2 4.38Å; F10-V12 PolarHBondContact O-N 2.95Å; V12-V14 HydrophobicContact CB-CG2 4.44Å; V12-V14 HydrophobicContact CG1-CG2 3.5Å; V12-V14 PolarHBondContact O-N 2.81Å
13L40.7Very low47.7Very low133 Ų133118 Ų11870%0.69669%0.689SS**  trans-66.281.3161.3-126.8137.5000104.9V11 L15V11-L13 HydrophobicContact CG1-CB 4.45Å; V11-L13 HydrophobicContact CG1-CD1 4.13Å; V11-L13 HydrophobicContact CG1-CG 4.42Å; V11-L13 PolarHBondContact O-N 2.88Å; L13-L15 HydrophobicContact CD2-CD2 4.44Å; L13-L15 HydrophobicContact CD2-CG 4.38Å; L13-L15 PolarHBondContact O-N 2.8Å
14V41.9Very low50.9Low101 Ų101113 Ų11361%0.61266%0.658SS**  trans-63.489.5160.6-178.40000103.8V12 L16V12-V14 HydrophobicContact CB-CG2 4.44Å; V12-V14 HydrophobicContact CG1-CG2 3.5Å; V12-V14 PolarHBondContact O-N 2.81Å; V14-L16 HydrophobicContact CG1-CG 4.18Å; V14-L16 PolarHBondContact O-N 3.36Å
15L40.8Very low54.2Low141 Ų141103.9 Ų103.974%0.73862%0.619SS**  trans-54.790.3150.9-74.5162.1000104.5L13 Q17L13-L15 HydrophobicContact CD2-CD2 4.44Å; L13-L15 HydrophobicContact CD2-CG 4.38Å; L13-L15 PolarHBondContact O-N 2.8Å; L15-Q17 PolarHBondContact O-N 3.07Å
16L40Very low57.2Low150 Ų15099.1 Ų99.179%0.78558%0.58SS**  trans-58.880.9151.4-88.4145.7000104.2V14 C18V14-L16 HydrophobicContact CG1-CG 4.18Å; V14-L16 PolarHBondContact O-N 3.36Å; L16-C18 PolarHBondContact O-N 3.04Å
17Q41.6Very low60.2Low158 Ų15894.7 Ų94.774%0.73854%0.543SS*.  trans-54.795146.3-86.2-176.5-36.700103.2L15 C19L15-Q17 PolarHBondContact O-N 3.07Å; Q17-C19 PolarHBondContact O-N 3.43Å
18C39.9Very low63.1Low112 Ų11285.6 Ų85.676%0.75750%0.5SS*.  trans-62.286.1163.3-152.30000103.2L16 S20L16-C18 PolarHBondContact O-N 3.04Å; C18-S20 PolarHBondContact O-N 3.09Å
19C46.2Very low65.9Low114 Ų11479.3 Ų79.377%0.7746%0.461SS*.  trans-63.377.8164.5-91.30000105.3Q17 A21Q17-C19 PolarHBondContact O-N 3.43Å; C19-A21 VanDerWaalsContact C-N 3.34Å; C19-A21 PolarHBondContact O-N 3.07Å
20S57.1Low68.9Low74 Ų7476.2 Ų76.252%0.51743%0.43SS..  trans-64.4103.4167.9177.40000105.3C18 Y22C18-S20 PolarHBondContact O-N 3.09Å; S20-Y22 PolarHBondContact O-N 3.16Å; S20-Y22 VanDerWaalsContact O-N 3.13Å
21A85.2Confident71.6Confident89 Ų8971.8 Ų71.874%0.73641%0.407SS*.  trans-65.7112.6176.500000108.6C19C19-A21 VanDerWaalsContact C-N 3.34Å; C19-A21 PolarHBondContact O-N 3.07Å
22Y98.1Very high74.4Confident57 Ų5766.2 Ų66.222%0.22437%0.373CS..  trans-67.2145.3175.9-65.8-73.9000111.2S20 L341 K342 L346 A347 L380S20-Y22 PolarHBondContact O-N 3.16Å; S20-Y22 VanDerWaalsContact O-N 3.13Å; Y22-L341 HydrophobicContact CD1-CD1 4.12Å; Y22-L341 HydrophobicContact CE1-CD1 4.15Å; Y22-K342 HydrophobicContact CE1-CG 4.29Å; Y22-K342 HydrophobicContact CE2-CD 4.45Å; Y22-K342 HydrophobicContact CE2-CG 3.83Å; Y22-L346 WeakPolarHBondContact CD1-O 3.29Å; Y22-L346 VanDerWaalsContact CE1-O 3.22Å; Y22-L346 WeakPolarHBondContact CE1-O 3.49Å; Y22-A347 CarbonylContact C-O 3.49Å; Y22-A347 WeakPolarHBondContact CA-O 3.29Å; Y22-L380 HydrophobicContact CD1-CD2 4.34Å; Y22-L380 HydrophobicContact CD2-CD2 4.13Å; Y22-L380 HydrophobicContact CG-CD2 3.83Å
23K98.7Very high77.1Confident53 Ų5362.1 Ų62.123%0.2335%0.348CS..EExtended strand (participates in β ladder)trans-83.6132.8169.3-60.2-177.7-178.267.30109.3V25 F200 V255 A347 G348 A349K23-V25 HydrophobicContact CB-CG2 3.91Å; K23-F200 HydrophobicContact CD-CB 4.45Å; K23-F200 HydrophobicContact CD-CD1 4.25Å; K23-F200 HydrophobicContact CD-CG 4.36Å; K23-V255 HydrophobicContact CD-CG2 4.45Å; K23-A347 PolarHBondContact N-O 2.77Å; K23-G348 CarbonylContact O-C 3.52Å; K23-G348 VanDerWaalsContact O-CA 3.23Å; K23-G348 WeakPolarHBondContact O-CA 3.26Å; K23-A349 PolarHBondContact O-N 3.32Å
24L98.9Very high79.8Confident6 Ų661 Ų613%0.03134%0.335CS..EExtended strand (participates in β ladder)trans-109.1105.4159.2-179.851.4000107.6L50 C51 T52 H53 A349 V351 T373 I376 K377 L380L24-L50 WeakPolarHBondContact CD2-O 3.46Å; L24-C51 HydrophobicContact CG-CB 4.46Å; L24-T52 PolarHBondContact N-OG1 2.89Å; L24-T52 PolarHBondContact O-N 3.2Å; L24-T52 PolarHBondContact O-OG1 3.43Å; L24-H53 PolarHBondContact O-N 3.34Å; L24-H53 VanDerWaalsContact O-N 3.1Å; L24-A349 WeakPolarHBondContact CA-O 3.28Å; L24-A349 HydrophobicContact CD1-CB 4.25Å; L24-V351 HydrophobicContact CD1-CG2 3.86Å; L24-T373 HydrophobicContact CD2-CG2 4.21Å; L24-I376 HydrophobicContact CD1-CG2 3.65Å; L24-I376 HydrophobicContact CD2-CG2 4.45Å; L24-K377 HydrophobicContact CD2-CB 3.73Å; L24-K377 HydrophobicContact CD2-CG 4.42Å; L24-L380 HydrophobicContact CB-CD1 4.12Å; L24-L380 HydrophobicContact CD1-CD1 4.47Å
25V98.9Very high82.5Confident0 Ų057.7 Ų57.70%031%0.311CS..EExtended strand (participates in β ladder)trans-105.5115.9-174.6-177.70000108.8K23 H53 I55 F200 V255 A349 M350 V351K23-V25 HydrophobicContact CB-CG2 3.91Å; V25-H53 HydrophobicContact CB-CB 4.41Å; V25-H53 HydrophobicContact CG1-CB 4.21Å; V25-H53 HydrophobicContact CG2-CB 4.16Å; V25-I55 HydrophobicContact CG1-CD1 3.41Å; V25-I55 VanDerWaalsContact CG1-CD1 3.41Å; V25-I55 HydrophobicContact CG1-CG1 3.8Å; V25-F200 HydrophobicContact CG1-CE2 4.02Å; V25-F200 HydrophobicContact CG1-CZ 4.3Å; V25-F200 HydrophobicContact CG2-CE2 4.08Å; V25-F200 HydrophobicContact CG2-CZ 4.35Å; V25-V255 HydrophobicContact CB-CG1 4.34Å; V25-V255 HydrophobicContact CG2-CG1 4.03Å; V25-V255 HydrophobicContact CG2-CG2 4.48Å; V25-A349 PolarHBondContact N-O 3.46Å; V25-M350 HydrophobicContact CB-CB 4.43Å; V25-M350 CarbonylContact O-C 3.47Å; V25-M350 WeakPolarHBondContact O-CA 3.43Å; V25-V351 PolarHBondContact O-N 3.21Å
26C98.9Very high85.3Confident0 Ų056.4 Ų56.40%030%0.302CS..EExtended strand (participates in β ladder)trans-119.2127.1-170.3-56.60000111.1C51 H53 V54 I55 L354C26-C51 HydrophobicContact CB-CB 3.79Å; C26-C51 WeakPolarHBondContact CB-SG 3.36Å; C26-C51 WeakPolarHBondContact SG-CB 3.47Å; C26-C51 CovalentContact SG-SG 2.03Å; C26-C51 PolarHBondContact SG-SG 2.97Å; C26-H53 PolarHBondContact N-O 3.16Å; C26-V54 CarbonylContact O-C 3.58Å; C26-V54 VanDerWaalsContact O-CA 3.27Å; C26-V54 WeakPolarHBondContact O-CA 3.29Å; C26-I55 PolarHBondContact O-N 3.46Å; C26-L354 HydrophobicContact CB-CD1 3.69Å; C26-L354 HydrophobicContact CB-CD2 3.74Å; C26-L354 HydrophobicContact CB-CG 3.66Å
27Y98.9Very high88Confident2 Ų252.2 Ų52.21%0.00830%0.295CS..EExtended strand (participates in β ladder)trans-83.9141.1174.6-76.5-92.6000111.2I55 S57 D136 M350 V351 W352 A353 L354Y27-I55 WeakPolarHBondContact CA-O 3.39Å; Y27-I55 HydrophobicContact CD1-CB 3.73Å; Y27-I55 HydrophobicContact CD1-CG2 3.76Å; Y27-I55 HydrophobicContact CE1-CB 3.76Å; Y27-I55 HydrophobicContact CE1-CD1 4.09Å; Y27-I55 HydrophobicContact CE1-CG1 4.47Å; Y27-I55 HydrophobicContact CE1-CG2 3.44Å; Y27-I55 VanDerWaalsContact CE1-CG2 3.44Å; Y27-I55 HydrophobicContact CE2-CD1 4.11Å; Y27-I55 HydrophobicContact CG-CB 4.25Å; Y27-S57 VanDerWaalsContact CD1-OG 3.29Å; Y27-S57 WeakPolarHBondContact CD1-OG 3.13Å; Y27-D136 WeakPolarHBondContact CE1-OD2 3.46Å; Y27-D136 VanDerWaalsContact OH-CG 3.27Å; Y27-D136 PolarHBondContact OH-OD1 3.07Å; Y27-D136 PolarHBondContact OH-OD2 2.75Å; Y27-M350 HydrophobicContact CD2-CG 3.85Å; Y27-M350 HydrophobicContact CD2-SD 3.87Å; Y27-M350 HydrophobicContact CE2-CE 4.43Å; Y27-M350 HydrophobicContact CE2-CG 3.53Å; Y27-M350 HydrophobicContact CE2-SD 3.81Å; Y27-V351 PolarHBondContact N-O 3.19Å; Y27-W352 AromaticContact CD1-CE3 3.88Å; Y27-W352 HydrophobicContact CD1-CE3 3.88Å; Y27-W352 AromaticContact CD1-CZ3 3.6Å; Y27-W352 HydrophobicContact CD1-CZ3 3.6Å; Y27-W352 AromaticContact CD2-CE3 3.93Å; Y27-W352 HydrophobicContact CD2-CE3 3.93Å; Y27-W352 HydrophobicContact CD2-CZ3 4.48Å; Y27-W352 HydrophobicContact CE1-CZ3 4.23Å; Y27-W352 AromaticContact CG-CE3 3.52Å; Y27-W352 HydrophobicContact CG-CE3 3.52Å; Y27-W352 AromaticContact CG-CZ3 3.73Å; Y27-W352 HydrophobicContact CG-CZ3 3.73Å; Y27-A353 WeakPolarHBondContact O-CB 3.33Å; Y27-L354 WeakPolarHBondContact O-CG 3.47Å; Y27-L354 PolarHBondContact O-N 3.36Å
28Y98.9Very high90.7Very high0 Ų049.1 Ų49.10%028%0.283CS..EExtended strand (participates in β ladder)trans-121.3133.1168.5165.1-96.2000108.7S32 C41 P43 I46 I55 Y56 S57Y28-S32 WeakPolarHBondContact CE2-OG 3.48Å; Y28-C41 PolarHBondContact OH-O 3.39Å; Y28-P43 HydrophobicContact CD1-CG 4.4Å; Y28-P43 HydrophobicContact CE1-CG 3.76Å; Y28-P43 HydrophobicContact CE2-CG 4.44Å; Y28-P43 WeakPolarHBondContact OH-CD 3.48Å; Y28-I46 HydrophobicContact CD2-CD1 4.04Å; Y28-I46 HydrophobicContact CG-CD1 4.18Å; Y28-I55 PolarHBondContact N-O 2.77Å; Y28-Y56 AromaticContact CD1-CD2 3.66Å; Y28-Y56 HydrophobicContact CD1-CD2 3.66Å; Y28-Y56 AromaticContact CD1-CE2 3.76Å; Y28-Y56 HydrophobicContact CD1-CE2 3.76Å; Y28-Y56 HydrophobicContact CD1-CG 4.43Å; Y28-Y56 AromaticContact CE1-CD2 3.93Å; Y28-Y56 HydrophobicContact CE1-CD2 3.93Å; Y28-Y56 AromaticContact CE1-CE2 3.52Å; Y28-Y56 HydrophobicContact CE1-CE2 3.52Å; Y28-S57 WeakPolarHBondContact O-CB 3.4Å; Y28-S57 PolarHBondContact O-N 2.74Å
29T98.9Very high93.4Very high2 Ų243.8 Ų43.81%0.01225%0.247CC..EExtended strand (participates in β ladder)trans-103.6130-177.466.60000112.4W31 S32 S57 W352 A353 D355T29-W31 VanDerWaalsContact C-N 3.26Å; T29-W31 VanDerWaalsContact CB-CZ2 3.47Å; T29-W31 HydrophobicContact CG2-CH2 3.42Å; T29-W31 VanDerWaalsContact CG2-CH2 3.42Å; T29-W31 HydrophobicContact CG2-CZ2 3.36Å; T29-W31 HydrophobicContact CG2-CZ3 4.1Å; T29-W31 PolarHBondContact O-N 2.74Å; T29-S32 WeakPolarHBondContact O-CB 3.26Å; T29-S32 PolarHBondContact O-N 2.8Å; T29-S32 VanDerWaalsContact O-N 3.16Å; T29-S32 PolarHBondContact O-OG 2.79Å; T29-S32 WeakPolarHBondContact OG1-CB 3.32Å; T29-S57 CarbonylContact C-O 3.56Å; T29-S57 WeakPolarHBondContact CA-O 3.43Å; T29-W352 HydrophobicContact CG2-CH2 4.01Å; T29-W352 HydrophobicContact CG2-CZ2 4.02Å; T29-A353 HydrophobicContact CG2-CB 4.23Å; T29-D355 WeakPolarHBondContact CB-OD1 3.41Å; T29-D355 PolarHBondContact N-OD1 3.42Å; T29-D355 PolarHBondContact OG1-OD1 2.57Å; T29-D355 PolarHBondContact OG1-OD2 3.27Å; T29-D355 VanDerWaalsContact OG1-OD2 3.12Å
30S98.7Very high95.9Very high2 Ų240 Ų401%0.01422%0.222CC..G310 helixtrans-62-33.6-177.963.40000112.6S32 Q33 Y56 S57S30-S32 VanDerWaalsContact C-N 3.26Å; S30-S32 PolarHBondContact O-N 2.89Å; S30-Q33 WeakPolarHBondContact O-CG 3.41Å; S30-Q33 PolarHBondContact O-NE2 2.79Å; S30-Y56 WeakPolarHBondContact CB-OH 2.98Å; S30-S57 PolarHBondContact N-O 2.99Å; S30-S57 PolarHBondContact OG-O 2.76Å
31W98.8Very high97.9Very high95 Ų9536.5 Ų36.536%0.3620%0.197SC..G310 helixtrans-77-10.4-179.262.989000113.5T29 Q33 Y34 F58 W352T29-W31 VanDerWaalsContact C-N 3.26Å; T29-W31 VanDerWaalsContact CB-CZ2 3.47Å; T29-W31 HydrophobicContact CG2-CH2 3.42Å; T29-W31 VanDerWaalsContact CG2-CH2 3.42Å; T29-W31 HydrophobicContact CG2-CZ2 3.36Å; T29-W31 HydrophobicContact CG2-CZ3 4.1Å; T29-W31 PolarHBondContact O-N 2.74Å; W31-Q33 PolarHBondContact O-N 3.36Å; W31-Y34 HydrophobicContact CB-CD2 4.24Å; W31-Y34 PolarHBondContact O-N 2.98Å; W31-Y34 VanDerWaalsContact O-N 3.11Å; W31-F58 AromaticContact CH2-CD2 3.92Å; W31-F58 HydrophobicContact CH2-CD2 3.92Å; W31-F58 AromaticContact CH2-CE2 3.64Å; W31-F58 HydrophobicContact CH2-CE2 3.64Å; W31-F58 AromaticContact CZ3-CD2 3.65Å; W31-F58 HydrophobicContact CZ3-CD2 3.65Å; W31-F58 AromaticContact CZ3-CE2 3.89Å; W31-F58 HydrophobicContact CZ3-CE2 3.89Å; W31-W352 HydrophobicContact CH2-CH2 4.13Å; W31-W352 HydrophobicContact CH2-CZ2 4.22Å; W31-W352 HydrophobicContact CZ2-CZ2 4.25Å
32S98.8Very high98.5Very high0 Ų035.7 Ų35.70%018%0.177CC..G310 helixtrans-63.2-22.6174.666.10000112.9Y28 T29 S30 Y34 R35 S40 C41 D355Y28-S32 WeakPolarHBondContact CE2-OG 3.48Å; T29-S32 WeakPolarHBondContact O-CB 3.26Å; T29-S32 PolarHBondContact O-N 2.8Å; T29-S32 VanDerWaalsContact O-N 3.16Å; T29-S32 PolarHBondContact O-OG 2.79Å; T29-S32 WeakPolarHBondContact OG1-CB 3.32Å; S30-S32 VanDerWaalsContact C-N 3.26Å; S30-S32 PolarHBondContact O-N 2.89Å; S32-Y34 PolarHBondContact O-N 2.95Å; S32-R35 PolarHBondContact O-N 3.05Å; S32-S40 WeakPolarHBondContact O-CA 3.24Å; S32-C41 PolarHBondContact O-N 3.1Å; S32-C41 VanDerWaalsContact O-N 3.11Å; S32-C41 PolarHBondContact OG-O 2.72Å; S32-C41 VanDerWaalsContact OG-O 3.14Å; S32-D355 VanDerWaalsContact CB-CB 3.48Å; S32-D355 VanDerWaalsContact CB-CG 3.45Å
33Q98.6Very high98.6Very high15 Ų1533 Ų337%0.0717%0.167CC..G310 helixtrans-59.9-27.4173.676.7-177.7-6800113S30 W31 S40 C41 F42 N72 L76S30-Q33 WeakPolarHBondContact O-CG 3.41Å; S30-Q33 PolarHBondContact O-NE2 2.79Å; W31-Q33 PolarHBondContact O-N 3.36Å; Q33-S40 PolarHBondContact O-OG 3.18Å; Q33-C41 PolarHBondContact N-O 2.74Å; Q33-F42 HydrophobicContact CB-CE1 4.05Å; Q33-F42 HydrophobicContact CB-CE2 4.08Å; Q33-F42 HydrophobicContact CB-CZ 3.81Å; Q33-N72 PolarHBondContact NE2-OD1 2.96Å; Q33-N72 PolarHBondContact OE1-ND2 3.43Å; Q33-L76 VanDerWaalsContact NE2-CD1 3.34Å
34Y98.6Very high98.5Very high111 Ų11135.7 Ų35.744%0.43518%0.184SC..G310 helixtrans-90-4.8-173.6-57.2-53.8000113.8W31 S32 E70 W71W31-Y34 HydrophobicContact CB-CD2 4.24Å; W31-Y34 PolarHBondContact O-N 2.98Å; W31-Y34 VanDerWaalsContact O-N 3.11Å; S32-Y34 PolarHBondContact O-N 2.95Å; Y34-E70 WeakPolarHBondContact CE2-OE2 3.44Å; Y34-E70 PolarHBondContact OH-OE2 3.48Å; Y34-W71 PolarHBondContact OH-NE1 3.07Å; Y34-W71 VanDerWaalsContact OH-NE1 3.12Å
35R98.7Very high98.4Very high30 Ų3036.3 Ų36.311%0.11319%0.19CC..SBendtrans-66.4148.3174.1-66-179.1-170.2136.24.8109.8S32 G39 S40 D355 L356S32-R35 PolarHBondContact O-N 3.05Å; R35-G39 VanDerWaalsContact CB-C 3.49Å; R35-G39 WeakPolarHBondContact CB-O 3.37Å; R35-G39 WeakPolarHBondContact CD-O 3.48Å; R35-S40 VanDerWaalsContact O-CB 3.26Å; R35-S40 WeakPolarHBondContact O-CB 3.33Å; R35-D355 IonicContact CZ-OD2 3.51Å; R35-D355 VanDerWaalsContact CZ-OD2 3.24Å; R35-D355 PolarHBondContact NH1-O 3.03Å; R35-D355 IonicContact NH1-OD2 2.95Å; R35-D355 PolarHBondContact NH1-OD2 3.49Å; R35-D355 IonicContact NH2-OD2 2.81Å; R35-D355 PolarHBondContact NH2-OD2 2.83Å; R35-L356 VanDerWaalsContact NH2-CD2 3.35Å
36E98.1Very high98.3Very high115 Ų11536.5 Ų36.554%0.53719%0.191SC..  trans-77147.9-176.6-72.9166.6-164.300112.2D38 G39 F287 K289E36-D38 PolarHBondContact O-N 3.48Å; E36-G39 PolarHBondContact O-N 3.14Å; E36-F287 VanDerWaalsContact O-CD1 3.24Å; E36-F287 WeakPolarHBondContact O-CD1 3.26Å; E36-K289 IonicContact OE1-NZ 2.8Å; E36-K289 PolarHBondContact OE1-NZ 3.4Å; E36-K289 IonicContact OE2-NZ 3.52Å; E36-K289 PolarHBondContact OE2-NZ 2.79Å
37G97.7Very high98.3Very high62 Ų6239.3 Ų39.364%0.63921%0.206SC*.G310 helixtrans53.5-134.2173.400000113G39 S40G37-G39 PolarHBondContact O-N 3.46Å; G37-G39 VanDerWaalsContact O-N 3.09Å; G37-S40 WeakPolarHBondContact O-CB 3.43Å; G37-S40 PolarHBondContact O-N 3.26Å
38D97.4Very high98.2Very high93 Ų9343.2 Ų43.250%0.49722%0.221SC..G310 helixtrans-67.5-8.6-176.2-57.8-42.9000114.1E36 F359 Q360 F363E36-D38 PolarHBondContact O-N 3.48Å; D38-F359 VanDerWaalsContact O-CZ 3.27Å; D38-F359 WeakPolarHBondContact O-CZ 3.4Å; D38-Q360 HydrophobicContact CB-CG 4.5Å; D38-Q360 PolarHBondContact O-NE2 3.44Å; D38-F363 HydrophobicContact CB-CE2 3.9Å; D38-F363 HydrophobicContact CB-CZ 3.7Å
39G97.8Very high98.2Very high0 Ų048.2 Ų48.20%024%0.242CC..G310 helixtrans-79.2-16172.100000113.9R35 E36 G37 C41R35-G39 VanDerWaalsContact CB-C 3.49Å; R35-G39 WeakPolarHBondContact CB-O 3.37Å; R35-G39 WeakPolarHBondContact CD-O 3.48Å; E36-G39 PolarHBondContact O-N 3.14Å; G37-G39 PolarHBondContact O-N 3.46Å; G37-G39 VanDerWaalsContact O-N 3.09Å; G39-C41 PolarHBondContact O-N 2.92Å
40S98.6Very high98.1Very high33 Ų3348.2 Ų48.223%0.23124%0.242CC..  trans-66.9123.7176.8-172.30000110.4S32 Q33 R35 G37 F42S32-S40 WeakPolarHBondContact O-CA 3.24Å; Q33-S40 PolarHBondContact O-OG 3.18Å; R35-S40 VanDerWaalsContact O-CB 3.26Å; R35-S40 WeakPolarHBondContact O-CB 3.33Å; G37-S40 WeakPolarHBondContact O-CB 3.43Å; G37-S40 PolarHBondContact O-N 3.26Å; S40-F42 WeakPolarHBondContact OG-CE2 3.27Å
41C98.7Very high98.1Very high1 Ų148.5 Ų48.51%0.00724%0.244CC..  trans-124.1122.6-178.9-170.20000111.7Y28 S32 Q33 G39 D355 F359Y28-C41 PolarHBondContact OH-O 3.39Å; S32-C41 PolarHBondContact O-N 3.1Å; S32-C41 VanDerWaalsContact O-N 3.11Å; S32-C41 PolarHBondContact OG-O 2.72Å; S32-C41 VanDerWaalsContact OG-O 3.14Å; Q33-C41 PolarHBondContact N-O 2.74Å; G39-C41 PolarHBondContact O-N 2.92Å; C41-D355 HydrophobicContact CB-CB 3.72Å; C41-F359 HydrophobicContact CB-CD2 4.47Å; C41-F359 HydrophobicContact CB-CE1 3.99Å; C41-F359 HydrophobicContact CB-CE2 3.92Å; C41-F359 HydrophobicContact CB-CZ 3.67Å
42F98.7Very high98.1Very high72 Ų7246.5 Ų46.532%0.31624%0.243SC..  trans-107.6159171.7-75.9-96.8000110.6Q33 S40 D44 A45 L76 M79Q33-F42 HydrophobicContact CB-CE1 4.05Å; Q33-F42 HydrophobicContact CB-CE2 4.08Å; Q33-F42 HydrophobicContact CB-CZ 3.81Å; S40-F42 WeakPolarHBondContact OG-CE2 3.27Å; F42-D44 WeakPolarHBondContact CB-OD1 3.43Å; F42-D44 PolarHBondContact O-N 3.39Å; F42-A45 VanDerWaalsContact O-CB 3.3Å; F42-A45 WeakPolarHBondContact O-CB 3.23Å; F42-A45 PolarHBondContact O-N 2.77Å; F42-A45 VanDerWaalsContact O-N 3.08Å; F42-L76 HydrophobicContact CD1-CD2 3.6Å; F42-L76 HydrophobicContact CE1-CD2 3.92Å; F42-M79 HydrophobicContact CD1-SD 4.35Å
43P98.4Very high98.1Very high0 Ų047.5 Ų47.50%025%0.247CC..G310 helixtrans-61.6-25.8-176.6-24.834.7000114.8Y28 A45 I46 L76 M79 L80Y28-P43 HydrophobicContact CD1-CG 4.4Å; Y28-P43 HydrophobicContact CE1-CG 3.76Å; Y28-P43 HydrophobicContact CE2-CG 4.44Å; Y28-P43 WeakPolarHBondContact OH-CD 3.48Å; P43-A45 PolarHBondContact O-N 3.43Å; P43-I46 WeakPolarHBondContact O-CB 3.42Å; P43-I46 WeakPolarHBondContact O-CG1 3.48Å; P43-I46 PolarHBondContact O-N 3.44Å; P43-I46 VanDerWaalsContact O-N 3.16Å; P43-L76 HydrophobicContact CG-CB 4.18Å; P43-L76 HydrophobicContact CG-CD2 4.36Å; P43-M79 HydrophobicContact CB-CB 3.99Å; P43-M79 HydrophobicContact CG-CB 4.14Å; P43-L80 HydrophobicContact CB-CB 3.87Å; P43-L80 HydrophobicContact CB-CD1 4.47Å; P43-L80 HydrophobicContact CG-CB 4.39Å
44D96.7Very high98.2Very high111 Ų11146.9 Ų46.959%0.59424%0.244SC*.G310 helixtrans-71.8-16.4177.664.9-28000113.5F42 I46F42-D44 WeakPolarHBondContact CB-OD1 3.43Å; F42-D44 PolarHBondContact O-N 3.39Å; D44-I46 PolarHBondContact O-N 2.88Å
45A97.3Very high98.2Very high18 Ų1841.6 Ų41.615%0.14922%0.224CC..G310 helixtrans-68.7-21.716900000112.2F42 P43 D47 F359 R369F42-A45 VanDerWaalsContact O-CB 3.3Å; F42-A45 WeakPolarHBondContact O-CB 3.23Å; F42-A45 PolarHBondContact O-N 2.77Å; F42-A45 VanDerWaalsContact O-N 3.08Å; P43-A45 PolarHBondContact O-N 3.43Å; A45-D47 PolarHBondContact O-N 2.82Å; A45-F359 HydrophobicContact CB-CD2 4.37Å; A45-R369 PolarHBondContact O-NH1 3.08Å; A45-R369 PolarHBondContact O-NH2 2.63Å
46I98Very high98.2Very high5 Ų540.2 Ų40.23%0.02622%0.218CC..SBendtrans-70.8128.6-176.2-57.5169.7000110.3Y28 P43 D44 R48 V54 L80 L83 L354Y28-I46 HydrophobicContact CD2-CD1 4.04Å; Y28-I46 HydrophobicContact CG-CD1 4.18Å; P43-I46 WeakPolarHBondContact O-CB 3.42Å; P43-I46 WeakPolarHBondContact O-CG1 3.48Å; P43-I46 PolarHBondContact O-N 3.44Å; P43-I46 VanDerWaalsContact O-N 3.16Å; D44-I46 PolarHBondContact O-N 2.88Å; I46-R48 PolarHBondContact O-N 3.15Å; I46-R48 VanDerWaalsContact O-N 3.14Å; I46-V54 HydrophobicContact CD1-CG1 4.26Å; I46-L80 HydrophobicContact CD1-CD1 4.22Å; I46-L83 HydrophobicContact CB-CD1 3.9Å; I46-L83 HydrophobicContact CG2-CD1 4.09Å; I46-L354 HydrophobicContact CD1-CD1 3.82Å; I46-L354 HydrophobicContact CG1-CD1 4.05Å; I46-L354 HydrophobicContact CG2-CD1 3.93Å
47D97.4Very high98.2Very high58 Ų5834.7 Ų34.731%0.3119%0.193SC..  trans-67.2114167.3177.3-1.4000109.6A45 F49 L50A45-D47 PolarHBondContact O-N 2.82Å; D47-F49 PolarHBondContact O-N 3.35Å; D47-F49 PolarHBondContact OD1-N 3.43Å; D47-L50 HydrophobicContact CB-CB 4.06Å; D47-L50 WeakPolarHBondContact O-CB 3.46Å; D47-L50 PolarHBondContact O-N 3.38Å
48R97.4Very high98.3Very high85 Ų8532.7 Ų32.732%0.32117%0.166SC..THydrogen-bonded Turntrans-58.7-18.1-178.770.5-174.673.687.53114.8I46 L83 R86 N87I46-R48 PolarHBondContact O-N 3.15Å; I46-R48 VanDerWaalsContact O-N 3.14Å; R48-L83 HydrophobicContact CB-CB 3.94Å; R48-L83 HydrophobicContact CB-CD2 4.28Å; R48-R86 VanDerWaalsContact CD-CB 3.4Å; R48-N87 HydrophobicContact CB-CB 4.48Å; R48-N87 HydrophobicContact CG-CB 4.38Å; R48-N87 PolarHBondContact O-ND2 3.25Å
49F98.3Very high98.3Very high104 Ų10428.2 Ų28.246%0.45614%0.143SC..THydrogen-bonded Turntrans-103.54.4176.8-63.6-70.6000113.1D47 R86 N87 K377D47-F49 PolarHBondContact O-N 3.35Å; D47-F49 PolarHBondContact OD1-N 3.43Å; F49-R86 VanDerWaalsContact CZ-O 3.29Å; F49-R86 WeakPolarHBondContact CZ-O 3.42Å; F49-N87 HydrophobicContact CD1-CB 3.96Å; F49-N87 HydrophobicContact CE1-CB 3.63Å; F49-N87 HydrophobicContact CZ-CB 4.22Å; F49-K377 WeakPolarHBondContact O-CE 3.33Å; F49-K377 PolarHBondContact O-NZ 3.21Å
50L98.5Very high98.4Very high3 Ų329.8 Ų29.82%0.01615%0.151CC..THydrogen-bonded Turntrans-70.4-50.7179.8-174.461.1000111.3L24 D47 L354 F370 T373 N374 K377L24-L50 WeakPolarHBondContact CD2-O 3.46Å; D47-L50 HydrophobicContact CB-CB 4.06Å; D47-L50 WeakPolarHBondContact O-CB 3.46Å; D47-L50 PolarHBondContact O-N 3.38Å; L50-L354 HydrophobicContact CD2-CD2 3.82Å; L50-F370 HydrophobicContact CD1-CB 4.37Å; L50-F370 HydrophobicContact CD2-CB 3.71Å; L50-F370 HydrophobicContact CD2-CD1 3.8Å; L50-F370 HydrophobicContact CD2-CD2 3.83Å; L50-F370 HydrophobicContact CD2-CE1 4.34Å; L50-F370 HydrophobicContact CD2-CE2 4.38Å; L50-F370 HydrophobicContact CD2-CG 3.51Å; L50-T373 HydrophobicContact CD1-CG2 3.82Å; L50-T373 HydrophobicContact CD2-CG2 3.69Å; L50-T373 HydrophobicContact CG-CG2 3.61Å; L50-N374 HydrophobicContact CD1-CB 4.49Å; L50-N374 VanDerWaalsContact CD1-OD1 3.29Å; L50-N374 WeakPolarHBondContact CD1-OD1 3.32Å; L50-K377 HydrophobicContact CD1-CD 4.49Å
51C98.7Very high98.3Very high7 Ų729.2 Ų29.25%0.04715%0.145CC..  trans-115.1153.3-171.9-53.90000112.1L24 C26 H53 V54 L90L24-C51 HydrophobicContact CG-CB 4.46Å; C26-C51 HydrophobicContact CB-CB 3.79Å; C26-C51 WeakPolarHBondContact CB-SG 3.36Å; C26-C51 WeakPolarHBondContact SG-CB 3.47Å; C26-C51 CovalentContact SG-SG 2.03Å; C26-C51 PolarHBondContact SG-SG 2.97Å; C51-H53 WeakPolarHBondContact CB-O 3.47Å; C51-V54 HydrophobicContact CB-CG2 4.04Å; C51-L90 WeakPolarHBondContact O-CD1 3.28Å
52T98.8Very high98.3Very high54 Ų5431.3 Ų31.333%0.33116%0.16SC..SBendtrans-79.8-33.7171.262.20000111.6L24 K91L24-T52 PolarHBondContact N-OG1 2.89Å; L24-T52 PolarHBondContact O-N 3.2Å; L24-T52 PolarHBondContact O-OG1 3.43Å; T52-K91 PolarHBondContact O-N 3.05Å; T52-K91 VanDerWaalsContact O-N 3.07Å
53H98.9Very high98.2Very high21 Ų2134.8 Ų34.810%0.09718%0.181CC..EExtended strand (participates in β ladder)trans-133.5136.1177.7-5770.2000108.6L24 V25 C26 C51 K91 L93L24-H53 PolarHBondContact O-N 3.34Å; L24-H53 VanDerWaalsContact O-N 3.1Å; V25-H53 HydrophobicContact CB-CB 4.41Å; V25-H53 HydrophobicContact CG1-CB 4.21Å; V25-H53 HydrophobicContact CG2-CB 4.16Å; C26-H53 PolarHBondContact N-O 3.16Å; C51-H53 WeakPolarHBondContact CB-O 3.47Å; H53-K91 CarbonylContact C-O 3.5Å; H53-K91 WeakPolarHBondContact CA-O 3.23Å; H53-K91 VanDerWaalsContact CD2-CB 3.49Å; H53-K91 WeakPolarHBondContact CD2-CB 3.27Å; H53-L93 HydrophobicContact CB-CD1 4.38Å
54V98.9Very high98.2Very high2 Ų237.3 Ų37.31%0.01220%0.195CC..EExtended strand (participates in β ladder)trans-116.5127.9167.5179.40000108.9C26 I46 C51 L80 L90 K91 T92 L93 L354C26-V54 CarbonylContact O-C 3.58Å; C26-V54 VanDerWaalsContact O-CA 3.27Å; C26-V54 WeakPolarHBondContact O-CA 3.29Å; I46-V54 HydrophobicContact CD1-CG1 4.26Å; C51-V54 HydrophobicContact CB-CG2 4.04Å; V54-L80 HydrophobicContact CB-CD1 4.07Å; V54-L80 HydrophobicContact CG1-CD1 3.56Å; V54-L80 HydrophobicContact CG1-CD2 4.31Å; V54-L90 HydrophobicContact CG2-CD1 4.02Å; V54-K91 PolarHBondContact N-O 2.75Å; V54-T92 CarbonylContact O-C 3.59Å; V54-T92 VanDerWaalsContact O-CA 3.26Å; V54-T92 WeakPolarHBondContact O-CA 3.25Å; V54-L93 PolarHBondContact O-N 3.05Å; V54-L354 HydrophobicContact CG1-CD1 4.28Å; V54-L354 HydrophobicContact CG2-CD1 4.43Å
55I98.9Very high98.3Very high0 Ų036.5 Ų36.50%019%0.187CC..EExtended strand (participates in β ladder)trans-108.4120-179.4-52.7-169.1000108.8V25 C26 Y27 Y28 L93 D136 F200V25-I55 HydrophobicContact CG1-CD1 3.41Å; V25-I55 VanDerWaalsContact CG1-CD1 3.41Å; V25-I55 HydrophobicContact CG1-CG1 3.8Å; C26-I55 PolarHBondContact O-N 3.46Å; Y27-I55 WeakPolarHBondContact CA-O 3.39Å; Y27-I55 HydrophobicContact CD1-CB 3.73Å; Y27-I55 HydrophobicContact CD1-CG2 3.76Å; Y27-I55 HydrophobicContact CE1-CB 3.76Å; Y27-I55 HydrophobicContact CE1-CD1 4.09Å; Y27-I55 HydrophobicContact CE1-CG1 4.47Å; Y27-I55 HydrophobicContact CE1-CG2 3.44Å; Y27-I55 VanDerWaalsContact CE1-CG2 3.44Å; Y27-I55 HydrophobicContact CE2-CD1 4.11Å; Y27-I55 HydrophobicContact CG-CB 4.25Å; Y28-I55 PolarHBondContact N-O 2.77Å; I55-L93 CarbonylContact C-O 3.59Å; I55-L93 WeakPolarHBondContact CA-O 3.3Å; I55-L93 HydrophobicContact CG1-CB 4.17Å; I55-L93 HydrophobicContact CG2-CB 4.36Å; I55-D136 HydrophobicContact CD1-CB 4.18Å; I55-D136 HydrophobicContact CG2-CB 3.85Å; I55-F200 HydrophobicContact CD1-CE2 4.38Å; I55-F200 HydrophobicContact CD1-CZ 4.33Å
56Y98.9Very high98.3Very high0 Ų036 Ų360%018%0.182CC..EExtended strand (participates in β ladder)trans-80.5126.1175.5-169-77.4000110.3Y28 S30 D73 L76 Y77 L80 L93 L94 S95Y28-Y56 AromaticContact CD1-CD2 3.66Å; Y28-Y56 HydrophobicContact CD1-CD2 3.66Å; Y28-Y56 AromaticContact CD1-CE2 3.76Å; Y28-Y56 HydrophobicContact CD1-CE2 3.76Å; Y28-Y56 HydrophobicContact CD1-CG 4.43Å; Y28-Y56 AromaticContact CE1-CD2 3.93Å; Y28-Y56 HydrophobicContact CE1-CD2 3.93Å; Y28-Y56 AromaticContact CE1-CE2 3.52Å; Y28-Y56 HydrophobicContact CE1-CE2 3.52Å; S30-Y56 WeakPolarHBondContact CB-OH 2.98Å; Y56-D73 WeakPolarHBondContact CE1-OD1 3.31Å; Y56-D73 PolarHBondContact OH-OD1 3.17Å; Y56-L76 HydrophobicContact CE2-CB 3.81Å; Y56-L76 WeakPolarHBondContact OH-CB 3.39Å; Y56-L76 VanDerWaalsContact OH-CD1 3.24Å; Y56-L76 WeakPolarHBondContact OH-CD1 3.3Å; Y56-Y77 HydrophobicContact CD1-CD1 4.23Å; Y56-Y77 AromaticContact CD1-CE1 3.63Å; Y56-Y77 HydrophobicContact CD1-CE1 3.63Å; Y56-Y77 HydrophobicContact CD2-CD1 4.08Å; Y56-Y77 HydrophobicContact CD2-CE1 4.29Å; Y56-Y77 HydrophobicContact CE1-CD1 4.14Å; Y56-Y77 AromaticContact CE1-CE1 3.46Å; Y56-Y77 HydrophobicContact CE1-CE1 3.46Å; Y56-Y77 VanDerWaalsContact CE1-CE1 3.46Å; Y56-Y77 AromaticContact CE2-CD1 3.97Å; Y56-Y77 HydrophobicContact CE2-CD1 3.97Å; Y56-Y77 HydrophobicContact CE2-CE1 4.13Å; Y56-Y77 HydrophobicContact CG-CD1 4.2Å; Y56-Y77 HydrophobicContact CG-CE1 4.04Å; Y56-Y77 AromaticContact CZ-CD1 3.99Å; Y56-Y77 AromaticContact CZ-CE1 3.72Å; Y56-L80 HydrophobicContact CD2-CD2 3.96Å; Y56-L80 HydrophobicContact CG-CD2 4.44Å; Y56-L93 PolarHBondContact N-O 2.87Å; Y56-L94 HydrophobicContact CD1-CD1 3.8Å; Y56-L94 HydrophobicContact CG-CD1 4.23Å; Y56-S95 WeakPolarHBondContact O-CB 3.48Å; Y56-S95 PolarHBondContact O-N 2.69Å
57S98.8Very high98.4Very high0 Ų038.6 Ų38.60%020%0.196CC..EExtended strand (participates in β ladder)trans-117.3118.1179.8-82.30000110.7Y27 Y28 T29 S30Y27-S57 VanDerWaalsContact CD1-OG 3.29Å; Y27-S57 WeakPolarHBondContact CD1-OG 3.13Å; Y28-S57 WeakPolarHBondContact O-CB 3.4Å; Y28-S57 PolarHBondContact O-N 2.74Å; T29-S57 CarbonylContact C-O 3.56Å; T29-S57 WeakPolarHBondContact CA-O 3.43Å; S30-S57 PolarHBondContact N-O 2.99Å; S30-S57 PolarHBondContact OG-O 2.76Å
58F98.5Very high98.4Very high19 Ų1937.7 Ų37.78%0.08319%0.193CC..EExtended strand (participates in β ladder)cis-138.7157.2-1.3-64.5-79.8000111.1W31 W69 S95 G97 A138 W352W31-F58 AromaticContact CH2-CD2 3.92Å; W31-F58 HydrophobicContact CH2-CD2 3.92Å; W31-F58 AromaticContact CH2-CE2 3.64Å; W31-F58 HydrophobicContact CH2-CE2 3.64Å; W31-F58 AromaticContact CZ3-CD2 3.65Å; W31-F58 HydrophobicContact CZ3-CD2 3.65Å; W31-F58 AromaticContact CZ3-CE2 3.89Å; W31-F58 HydrophobicContact CZ3-CE2 3.89Å; F58-W69 VanDerWaalsContact O-CB 3.25Å; F58-W69 WeakPolarHBondContact O-CB 3.04Å; F58-S95 CarbonylContact C-O 3.55Å; F58-S95 VanDerWaalsContact CA-O 3.26Å; F58-S95 WeakPolarHBondContact CA-O 3.48Å; F58-S95 WeakPolarHBondContact CD1-OG 3.35Å; F58-S95 VanDerWaalsContact CE1-OG 3.28Å; F58-S95 WeakPolarHBondContact CE1-OG 3.36Å; F58-G97 WeakPolarHBondContact CG-O 3.21Å; F58-A138 HydrophobicContact CD1-CB 4.32Å; F58-A138 HydrophobicContact CE1-CB 3.72Å; F58-W352 AromaticContact CE2-CH2 3.77Å; F58-W352 HydrophobicContact CE2-CH2 3.77Å; F58-W352 AromaticContact CZ-CH2 3.5Å; F58-W352 HydrophobicContact CZ-CH2 3.5Å; F58-W352 AromaticContact CZ-CZ3 3.85Å; F58-W352 HydrophobicContact CZ-CZ3 3.85Å
59A98.8Very high98.4Very high0 Ų038 Ų380%019%0.194CC..EExtended strand (participates in β ladder)trans-79.2159.5159.500000111.2I66 D67 L94 S95 V96A59-I66 HydrophobicContact CB-CD1 4.12Å; A59-I66 HydrophobicContact CB-CG1 4.02Å; A59-D67 WeakPolarHBondContact CB-O 3.49Å; A59-L94 HydrophobicContact CB-CD1 3.97Å; A59-L94 HydrophobicContact CB-CD2 3.79Å; A59-L94 HydrophobicContact CB-CG 3.75Å; A59-S95 PolarHBondContact N-O 3.37Å; A59-V96 HydrophobicContact CB-CB 4.24Å; A59-V96 HydrophobicContact CB-CG2 4.43Å
60N98.3Very high98.4Very high33 Ų3334.6 Ų34.618%0.17618%0.18CC..EExtended strand (participates in β ladder)trans-103175.5174.2-167.520.4000111.2D67 T68 W69 F101N60-D67 PolarHBondContact N-O 2.92Å; N60-D67 PolarHBondContact O-N 3.29Å; N60-T68 WeakPolarHBondContact CB-O 3.43Å; N60-W69 HydrophobicContact CB-CB 4.33Å; N60-W69 HydrophobicContact CB-CD2 4.37Å; N60-W69 HydrophobicContact CB-CE3 3.74Å; N60-W69 HydrophobicContact CB-CZ3 4.46Å; N60-F101 VanDerWaalsContact OD1-CE2 3.3Å; N60-F101 WeakPolarHBondContact OD1-CE2 3.41Å
61I98.3Very high98.4Very high20 Ų2044.6 Ų44.610%0.10322%0.217CC..EExtended strand (participates in β ladder)trans-124.3120.2165.7-53.5-177.5000107.9H65 V96 F101 F106 M109 F119I61-H65 CarbonylContact C-O 3.57Å; I61-H65 VanDerWaalsContact CA-O 3.23Å; I61-H65 WeakPolarHBondContact CA-O 3.45Å; I61-H65 WeakPolarHBondContact CG2-O 3.33Å; I61-V96 HydrophobicContact CD1-CG2 3.96Å; I61-V96 HydrophobicContact CG1-CG2 3.59Å; I61-F101 HydrophobicContact CB-CE2 4.01Å; I61-F101 HydrophobicContact CB-CZ 3.83Å; I61-F101 HydrophobicContact CD1-CE1 4.41Å; I61-F101 HydrophobicContact CD1-CZ 3.79Å; I61-F101 HydrophobicContact CG1-CE2 4.06Å; I61-F101 HydrophobicContact CG1-CZ 3.73Å; I61-F106 HydrophobicContact CD1-CD1 4.3Å; I61-F106 HydrophobicContact CD1-CE1 3.89Å; I61-F106 HydrophobicContact CD1-CZ 4.32Å; I61-M109 HydrophobicContact CD1-CE 3.87Å; I61-F119 HydrophobicContact CD1-CD2 3.94Å; I61-F119 HydrophobicContact CD1-CE2 3.6Å; I61-F119 HydrophobicContact CD1-CZ 4.02Å; I61-F119 HydrophobicContact CG1-CD2 4.24Å; I61-F119 HydrophobicContact CG1-CE2 3.84Å; I61-F119 HydrophobicContact CG2-CD2 4.18Å
62S97.3Very high98.4Very high45 Ų4545 Ų4532%0.31522%0.219SC..EExtended strand (participates in β ladder)trans-127.3126.6-179.9-166.40000109.6D64 H65S62-D64 VanDerWaalsContact C-N 3.26Å; S62-D64 PolarHBondContact O-N 3.45Å; S62-H65 PolarHBondContact N-O 2.91Å; S62-H65 WeakPolarHBondContact O-CB 3.21Å; S62-H65 PolarHBondContact O-N 2.86Å
63N96.9Very high98.4Very high145 Ų14542.5 Ų42.578%0.77520%0.204SC*.THydrogen-bonded Turntrans49.845.2-176-56.7-48.6000113.2H65N63-H65 PolarHBondContact O-N 2.99Å; N63-H65 VanDerWaalsContact O-N 3.1Å; N63-H65 PolarHBondContact O-ND1 3.22Å
64D98.1Very high98.4Very high54 Ų5445.4 Ų45.429%0.28922%0.223SC..THydrogen-bonded Turntrans58.514.8-174.8-58.2-35.2000115.1S62 S115 T118 F119S62-D64 VanDerWaalsContact C-N 3.26Å; S62-D64 PolarHBondContact O-N 3.45Å; D64-S115 WeakPolarHBondContact OD2-CA 3.21Å; D64-S115 WeakPolarHBondContact OD2-CB 3.43Å; D64-S115 PolarHBondContact OD2-OG 2.72Å; D64-T118 HydrophobicContact CB-CG2 3.94Å; D64-T118 CarbonylContact O-C 3.59Å; D64-F119 WeakPolarHBondContact O-CA 3.41Å; D64-F119 VanDerWaalsContact O-CB 3.28Å; D64-F119 WeakPolarHBondContact O-CB 3.49Å; D64-F119 PolarHBondContact O-N 3.45Å
65H98.6Very high98.4Very high93 Ų9349.4 Ų49.443%0.43125%0.247SC..EExtended strand (participates in β ladder)trans-107146.5172.1-66.967.9000110.1I61 S62 N63 T118 S122I61-H65 CarbonylContact C-O 3.57Å; I61-H65 VanDerWaalsContact CA-O 3.23Å; I61-H65 WeakPolarHBondContact CA-O 3.45Å; I61-H65 WeakPolarHBondContact CG2-O 3.33Å; S62-H65 PolarHBondContact N-O 2.91Å; S62-H65 WeakPolarHBondContact O-CB 3.21Å; S62-H65 PolarHBondContact O-N 2.86Å; N63-H65 PolarHBondContact O-N 2.99Å; N63-H65 VanDerWaalsContact O-N 3.1Å; N63-H65 PolarHBondContact O-ND1 3.22Å; H65-T118 WeakPolarHBondContact CE1-CG2 3.27Å; H65-S122 WeakPolarHBondContact CA-OG 3.46Å; H65-S122 VanDerWaalsContact CD2-CB 3.47Å; H65-S122 WeakPolarHBondContact CD2-CB 3.41Å
66I98.8Very high98.4Very high7 Ų749.4 Ų49.44%0.03625%0.247CC..EExtended strand (participates in β ladder)trans-61.6139.2163.8-168.8167.3000109A59 L94 F119 S122 V123 F126 L135A59-I66 HydrophobicContact CB-CD1 4.12Å; A59-I66 HydrophobicContact CB-CG1 4.02Å; I66-L94 HydrophobicContact CD1-CD2 4.05Å; I66-F119 HydrophobicContact CB-CE2 4.04Å; I66-S122 PolarHBondContact N-OG 3.28Å; I66-V123 HydrophobicContact CB-CG2 4.04Å; I66-V123 HydrophobicContact CD1-CG2 4.2Å; I66-V123 HydrophobicContact CG2-CG2 4Å; I66-F126 HydrophobicContact CD1-CD1 4.32Å; I66-F126 HydrophobicContact CG1-CD1 4.37Å; I66-F126 HydrophobicContact CG2-CB 3.45Å; I66-F126 VanDerWaalsContact CG2-CB 3.45Å; I66-F126 HydrophobicContact CG2-CD1 4.02Å; I66-F126 HydrophobicContact CG2-CD2 3.97Å; I66-F126 HydrophobicContact CG2-CG 3.55Å; I66-L135 HydrophobicContact CD1-CD1 3.72Å
67D98.5Very high98.4Very high61 Ų6149.5 Ų49.533%0.32625%0.248SC..EExtended strand (participates in β ladder)trans-147.3164.1-177.9-159-1.4000110.9A59 N60A59-D67 WeakPolarHBondContact CB-O 3.49Å; N60-D67 PolarHBondContact N-O 2.92Å; N60-D67 PolarHBondContact O-N 3.29Å
68T98.6Very high98.4Very high39 Ų3951.3 Ų51.324%0.23927%0.266CS..  trans-59.9153.2166.754.30000111.3N60 D73 V74 Y77 F126N60-T68 WeakPolarHBondContact CB-O 3.43Å; T68-D73 HydrophobicContact CG2-CB 3.79Å; T68-V74 HydrophobicContact CG2-CG2 4.08Å; T68-Y77 HydrophobicContact CG2-CE2 3.98Å; T68-F126 HydrophobicContact CG2-CZ 4.04Å
69W98.3Very high98.4Very high91 Ų9153.6 Ų53.635%0.34528%0.278SS..SBendtrans-101.4-51.3172.9-172.1-70.3000111F58 N60 D73 F101F58-W69 VanDerWaalsContact O-CB 3.25Å; F58-W69 WeakPolarHBondContact O-CB 3.04Å; N60-W69 HydrophobicContact CB-CB 4.33Å; N60-W69 HydrophobicContact CB-CD2 4.37Å; N60-W69 HydrophobicContact CB-CE3 3.74Å; N60-W69 HydrophobicContact CB-CZ3 4.46Å; W69-D73 WeakPolarHBondContact CA-OD2 3.26Å; W69-D73 PolarHBondContact N-OD2 3.5Å; W69-F101 HydrophobicContact CH2-CB 4.3Å; W69-F101 HydrophobicContact CZ3-CB 4.04Å; W69-F101 AromaticContact CZ3-CD2 3.82Å; W69-F101 HydrophobicContact CZ3-CD2 3.82Å; W69-F101 HydrophobicContact CZ3-CG 4.43Å
70E98Very high98.4Very high33 Ų3353.6 Ų53.615%0.15428%0.278CS..SBendtrans-93.4149.3-178.8-62.2-65.4159.700111.2Y34 N72 D73Y34-E70 WeakPolarHBondContact CE2-OE2 3.44Å; Y34-E70 PolarHBondContact OH-OE2 3.48Å; E70-N72 PolarHBondContact O-N 3.38Å; E70-N72 VanDerWaalsContact O-N 3.07Å; E70-D73 HydrophobicContact CB-CB 4.49Å; E70-D73 PolarHBondContact N-OD2 3.18Å; E70-D73 WeakPolarHBondContact O-CB 3.47Å; E70-D73 PolarHBondContact O-N 3.32Å; E70-D73 VanDerWaalsContact O-N 3.14Å
71W98.3Very high98.4Very high212 Ų21252.8 Ų52.880%0.80327%0.274SS*.THydrogen-bonded Turntrans-57.5-24.8178.366.7-82.5000113.7Y34Y34-W71 PolarHBondContact OH-NE1 3.07Å; Y34-W71 VanDerWaalsContact OH-NE1 3.12Å
72N98.5Very high98.4Very high17 Ų1755.7 Ų55.79%0.09129%0.293CS..THydrogen-bonded Turntrans-114.113.1-178.666.3-14.9000114.1Q33 E70 V74 T75 L76Q33-N72 PolarHBondContact NE2-OD1 2.96Å; Q33-N72 PolarHBondContact OE1-ND2 3.43Å; E70-N72 PolarHBondContact O-N 3.38Å; E70-N72 VanDerWaalsContact O-N 3.07Å; N72-V74 PolarHBondContact O-N 2.67Å; N72-T75 WeakPolarHBondContact O-CB 3.32Å; N72-T75 PolarHBondContact O-N 2.7Å; N72-L76 PolarHBondContact O-N 2.69Å
73D98.8Very high98.5Very high0 Ų054 Ų540%028%0.28CS..Hα-helixtrans-54.3-39.8-178.7-94.5-19000112.4Y56 T68 W69 E70 T75 L76 Y77Y56-D73 WeakPolarHBondContact CE1-OD1 3.31Å; Y56-D73 PolarHBondContact OH-OD1 3.17Å; T68-D73 HydrophobicContact CG2-CB 3.79Å; W69-D73 WeakPolarHBondContact CA-OD2 3.26Å; W69-D73 PolarHBondContact N-OD2 3.5Å; E70-D73 HydrophobicContact CB-CB 4.49Å; E70-D73 PolarHBondContact N-OD2 3.18Å; E70-D73 WeakPolarHBondContact O-CB 3.47Å; E70-D73 PolarHBondContact O-N 3.32Å; E70-D73 VanDerWaalsContact O-N 3.14Å; D73-T75 PolarHBondContact O-N 2.96Å; D73-L76 CarbonylContact O-C 3.46Å; D73-L76 PolarHBondContact O-N 3.13Å; D73-Y77 HydrophobicContact CB-CD1 4.47Å; D73-Y77 HydrophobicContact CB-CE1 3.84Å; D73-Y77 HydrophobicContact CB-CE2 4.16Å; D73-Y77 WeakPolarHBondContact O-CB 3.39Å; D73-Y77 WeakPolarHBondContact O-CD1 3.43Å; D73-Y77 PolarHBondContact O-N 3.46Å; D73-Y77 PolarHBondContact OD2-OH 3.06Å
74V98.8Very high98.5Very high83 Ų8348.7 Ų48.750%0.50325%0.25SC..Hα-helixtrans-57.3-39.1178.7179.30000111.7T68 N72 G78T68-V74 HydrophobicContact CG2-CG2 4.08Å; N72-V74 PolarHBondContact O-N 2.67Å; V74-G78 PolarHBondContact O-N 3.22Å; V74-G78 VanDerWaalsContact O-N 3.17Å
75T98.8Very high98.5Very high85 Ų8552 Ų5252%0.52127%0.268SS..Hα-helixtrans-66.7-46175.2-58.70000110.7N72 D73 Y77 G78 M79N72-T75 WeakPolarHBondContact O-CB 3.32Å; N72-T75 PolarHBondContact O-N 2.7Å; D73-T75 PolarHBondContact O-N 2.96Å; T75-Y77 PolarHBondContact O-N 2.88Å; T75-G78 PolarHBondContact O-N 2.83Å; T75-M79 HydrophobicContact CG2-CE 3.84Å; T75-M79 HydrophobicContact CG2-SD 4.4Å; T75-M79 WeakPolarHBondContact O-CG 3.37Å; T75-M79 PolarHBondContact O-N 3.12Å
76L98.8Very high98.4Very high1 Ų156.6 Ų56.61%0.00528%0.281CS..Hα-helixtrans-67.5-35.1-179.5-58.4-176.5000112.4Q33 F42 P43 Y56 N72 D73 G78 M79 L80Q33-L76 VanDerWaalsContact NE2-CD1 3.34Å; F42-L76 HydrophobicContact CD1-CD2 3.6Å; F42-L76 HydrophobicContact CE1-CD2 3.92Å; P43-L76 HydrophobicContact CG-CB 4.18Å; P43-L76 HydrophobicContact CG-CD2 4.36Å; Y56-L76 HydrophobicContact CE2-CB 3.81Å; Y56-L76 WeakPolarHBondContact OH-CB 3.39Å; Y56-L76 VanDerWaalsContact OH-CD1 3.24Å; Y56-L76 WeakPolarHBondContact OH-CD1 3.3Å; N72-L76 PolarHBondContact O-N 2.69Å; D73-L76 CarbonylContact O-C 3.46Å; D73-L76 PolarHBondContact O-N 3.13Å; L76-G78 VanDerWaalsContact C-N 3.33Å; L76-G78 PolarHBondContact O-N 3.42Å; L76-M79 HydrophobicContact CD2-SD 3.87Å; L76-M79 PolarHBondContact O-N 3.28Å; L76-L80 WeakPolarHBondContact O-CB 3.42Å; L76-L80 PolarHBondContact O-N 2.79Å
77Y98.9Very high98.3Very high1 Ų157.1 Ų57.10%0.00428%0.284CS..Hα-helixtrans-60.3-44.8171.4-62.5-10.2000110.5Y56 T68 D73 T75 L80 N81 L94 F126 H130 F132Y56-Y77 HydrophobicContact CD1-CD1 4.23Å; Y56-Y77 AromaticContact CD1-CE1 3.63Å; Y56-Y77 HydrophobicContact CD1-CE1 3.63Å; Y56-Y77 HydrophobicContact CD2-CD1 4.08Å; Y56-Y77 HydrophobicContact CD2-CE1 4.29Å; Y56-Y77 HydrophobicContact CE1-CD1 4.14Å; Y56-Y77 AromaticContact CE1-CE1 3.46Å; Y56-Y77 HydrophobicContact CE1-CE1 3.46Å; Y56-Y77 VanDerWaalsContact CE1-CE1 3.46Å; Y56-Y77 AromaticContact CE2-CD1 3.97Å; Y56-Y77 HydrophobicContact CE2-CD1 3.97Å; Y56-Y77 HydrophobicContact CE2-CE1 4.13Å; Y56-Y77 HydrophobicContact CG-CD1 4.2Å; Y56-Y77 HydrophobicContact CG-CE1 4.04Å; Y56-Y77 AromaticContact CZ-CD1 3.99Å; Y56-Y77 AromaticContact CZ-CE1 3.72Å; T68-Y77 HydrophobicContact CG2-CE2 3.98Å; D73-Y77 HydrophobicContact CB-CD1 4.47Å; D73-Y77 HydrophobicContact CB-CE1 3.84Å; D73-Y77 HydrophobicContact CB-CE2 4.16Å; D73-Y77 WeakPolarHBondContact O-CB 3.39Å; D73-Y77 WeakPolarHBondContact O-CD1 3.43Å; D73-Y77 PolarHBondContact O-N 3.46Å; D73-Y77 PolarHBondContact OD2-OH 3.06Å; T75-Y77 PolarHBondContact O-N 2.88Å; Y77-L80 PolarHBondContact O-N 3.14Å; Y77-N81 WeakPolarHBondContact O-CB 3.33Å; Y77-N81 PolarHBondContact O-N 3.28Å; Y77-N81 PolarHBondContact O-ND2 2.92Å; Y77-L94 HydrophobicContact CE1-CD1 3.92Å; Y77-F126 AromaticContact CE2-CE1 3.99Å; Y77-F126 HydrophobicContact CE2-CE1 3.99Å; Y77-F126 HydrophobicContact CE2-CZ 4.07Å; Y77-H130 HydrophobicContact CD2-CB 3.82Å; Y77-H130 AromaticContact CD2-CG 3.73Å; Y77-H130 AromaticContact CD2-ND1 3.94Å; Y77-F132 AromaticContact CD1-CE2 3.95Å; Y77-F132 HydrophobicContact CD1-CE2 3.95Å; Y77-F132 AromaticContact CD1-CZ 3.67Å; Y77-F132 HydrophobicContact CD1-CZ 3.67Å; Y77-F132 AromaticContact CD2-CE2 3.83Å; Y77-F132 HydrophobicContact CD2-CE2 3.83Å; Y77-F132 HydrophobicContact CD2-CZ 4.4Å; Y77-F132 HydrophobicContact CE1-CE2 4.37Å; Y77-F132 HydrophobicContact CE1-CZ 4.17Å; Y77-F132 HydrophobicContact CE2-CE2 4.24Å; Y77-F132 AromaticContact CG-CE2 3.67Å; Y77-F132 HydrophobicContact CG-CE2 3.67Å; Y77-F132 AromaticContact CG-CZ 3.81Å; Y77-F132 HydrophobicContact CG-CZ 3.81Å
78G98.7Very high98.2Very high38 Ų3858.9 Ų58.939%0.39230%0.299SS..Hα-helixtrans-61.4-45175.400000112.7V74 T75 L76 N81 T82V74-G78 PolarHBondContact O-N 3.22Å; V74-G78 VanDerWaalsContact O-N 3.17Å; T75-G78 PolarHBondContact O-N 2.83Å; L76-G78 VanDerWaalsContact C-N 3.33Å; L76-G78 PolarHBondContact O-N 3.42Å; G78-N81 PolarHBondContact O-N 2.77Å; G78-T82 WeakPolarHBondContact O-CB 3.39Å; G78-T82 PolarHBondContact O-N 2.75Å; G78-T82 PolarHBondContact O-OG1 2.84Å
79M98.6Very high98.1Very high67 Ų6763.6 Ų63.633%0.3332%0.323SS..Hα-helixtrans-60-48.3176.1-70.3174.4172.200111.5F42 P43 T75 L76 T82F42-M79 HydrophobicContact CD1-SD 4.35Å; P43-M79 HydrophobicContact CB-CB 3.99Å; P43-M79 HydrophobicContact CG-CB 4.14Å; T75-M79 HydrophobicContact CG2-CE 3.84Å; T75-M79 HydrophobicContact CG2-SD 4.4Å; T75-M79 WeakPolarHBondContact O-CG 3.37Å; T75-M79 PolarHBondContact O-N 3.12Å; L76-M79 HydrophobicContact CD2-SD 3.87Å; L76-M79 PolarHBondContact O-N 3.28Å; M79-T82 WeakPolarHBondContact O-CB 3.11Å; M79-T82 PolarHBondContact O-N 2.74Å
80L98.8Very high98.1Very high0 Ų059.3 Ų59.30%031%0.307CS..Hα-helixtrans-61.9-48178.6177.161.7000111.6P43 I46 V54 Y56 L76 Y77 T82 L83 T92 F132P43-L80 HydrophobicContact CB-CB 3.87Å; P43-L80 HydrophobicContact CB-CD1 4.47Å; P43-L80 HydrophobicContact CG-CB 4.39Å; I46-L80 HydrophobicContact CD1-CD1 4.22Å; V54-L80 HydrophobicContact CB-CD1 4.07Å; V54-L80 HydrophobicContact CG1-CD1 3.56Å; V54-L80 HydrophobicContact CG1-CD2 4.31Å; Y56-L80 HydrophobicContact CD2-CD2 3.96Å; Y56-L80 HydrophobicContact CG-CD2 4.44Å; L76-L80 WeakPolarHBondContact O-CB 3.42Å; L76-L80 PolarHBondContact O-N 2.79Å; Y77-L80 PolarHBondContact O-N 3.14Å; L80-T82 VanDerWaalsContact C-N 3.26Å; L80-T82 PolarHBondContact O-N 3.06Å; L80-L83 HydrophobicContact CD1-CD1 3.92Å; L80-L83 VanDerWaalsContact O-CB 3.26Å; L80-L83 WeakPolarHBondContact O-CB 3.13Å; L80-L83 VanDerWaalsContact O-CG 3.24Å; L80-L83 WeakPolarHBondContact O-CG 3.44Å; L80-L83 PolarHBondContact O-N 3.27Å; L80-L83 VanDerWaalsContact O-N 3.15Å; L80-T92 HydrophobicContact CD1-CG2 4.37Å; L80-T92 HydrophobicContact CD2-CG2 4.27Å; L80-T92 HydrophobicContact CG-CG2 3.97Å; L80-F132 HydrophobicContact CD2-CE1 4.14Å
81N98.6Very high98.2Very high17 Ų1759 Ų599%0.09131%0.305CS..Hα-helixtrans-71-22.8-176.6-74.3-50.5000113Y77 G78 L83 K84 T92 H130 G131Y77-N81 WeakPolarHBondContact O-CB 3.33Å; Y77-N81 PolarHBondContact O-N 3.28Å; Y77-N81 PolarHBondContact O-ND2 2.92Å; G78-N81 PolarHBondContact O-N 2.77Å; N81-L83 PolarHBondContact O-N 2.03Å; N81-K84 WeakPolarHBondContact O-CB 3.46Å; N81-K84 PolarHBondContact O-N 2.87Å; N81-K84 VanDerWaalsContact O-N 3.1Å; N81-K84 WeakPolarHBondContact OD1-CE 3.46Å; N81-K84 PolarHBondContact OD1-NZ 2.86Å; N81-T92 VanDerWaalsContact OD1-CB 3.31Å; N81-T92 WeakPolarHBondContact OD1-CB 3.2Å; N81-T92 WeakPolarHBondContact OD1-CG2 3.31Å; N81-T92 PolarHBondContact OD1-OG1 2.99Å; N81-H130 PolarHBondContact ND2-O 3.1Å; N81-G131 PolarHBondContact OD1-O 2.9Å
82T98.4Very high98.2Very high81 Ų8149 Ų4950%0.49727%0.267SS..Hα-helixtrans-61.1-26.3171.8-65.60000112.3G78 M79 L80 K84 N85G78-T82 WeakPolarHBondContact O-CB 3.39Å; G78-T82 PolarHBondContact O-N 2.75Å; G78-T82 PolarHBondContact O-OG1 2.84Å; M79-T82 WeakPolarHBondContact O-CB 3.11Å; M79-T82 PolarHBondContact O-N 2.74Å; L80-T82 VanDerWaalsContact C-N 3.26Å; L80-T82 PolarHBondContact O-N 3.06Å; T82-K84 PolarHBondContact O-N 2.9Å; T82-N85 WeakPolarHBondContact O-CB 3.34Å; T82-N85 PolarHBondContact O-N 3.4Å
83L98.1Very high98.2Very high10 Ų1048.1 Ų48.15%0.05226%0.262CS..G310 helixtrans-58-31.4175.2-57.9-179000112.1I46 R48 L80 N81 N85 R86 N87 L90I46-L83 HydrophobicContact CB-CD1 3.9Å; I46-L83 HydrophobicContact CG2-CD1 4.09Å; R48-L83 HydrophobicContact CB-CB 3.94Å; R48-L83 HydrophobicContact CB-CD2 4.28Å; L80-L83 HydrophobicContact CD1-CD1 3.92Å; L80-L83 VanDerWaalsContact O-CB 3.26Å; L80-L83 WeakPolarHBondContact O-CB 3.13Å; L80-L83 VanDerWaalsContact O-CG 3.24Å; L80-L83 WeakPolarHBondContact O-CG 3.44Å; L80-L83 PolarHBondContact O-N 3.27Å; L80-L83 VanDerWaalsContact O-N 3.15Å; N81-L83 PolarHBondContact O-N 2.03Å; L83-N85 VanDerWaalsContact C-N 3.28Å; L83-N85 PolarHBondContact O-N 2.97Å; L83-R86 PolarHBondContact O-N 3.48Å; L83-N87 PolarHBondContact O-N 3.23Å; L83-L90 HydrophobicContact CB-CD2 3.74Å
84K98.3Very high98.2Very high32 Ų3248.1 Ų48.114%0.13926%0.262CS..G310 helixtrans-68.6-22.4179-61.6-169-67.3-165.60113.4N81 T82 R86 N87 P88 L90 T92 G131 D133N81-K84 WeakPolarHBondContact O-CB 3.46Å; N81-K84 PolarHBondContact O-N 2.87Å; N81-K84 VanDerWaalsContact O-N 3.1Å; N81-K84 WeakPolarHBondContact OD1-CE 3.46Å; N81-K84 PolarHBondContact OD1-NZ 2.86Å; T82-K84 PolarHBondContact O-N 2.9Å; K84-R86 PolarHBondContact O-N 2.98Å; K84-N87 WeakPolarHBondContact CA-O 3.26Å; K84-N87 CarbonylContact O-C 3.57Å; K84-N87 PolarHBondContact O-N 3.35Å; K84-P88 WeakPolarHBondContact O-CA 3.22Å; K84-L90 WeakPolarHBondContact CD-O 3.36Å; K84-L90 HydrophobicContact CG-CB 4.15Å; K84-L90 HydrophobicContact CG-CD2 4.06Å; K84-L90 HydrophobicContact CG-CG 4.08Å; K84-T92 HydrophobicContact CD-CG2 4.07Å; K84-T92 HydrophobicContact CG-CG2 4.29Å; K84-T92 PolarHBondContact NZ-OG1 3.01Å; K84-G131 PolarHBondContact NZ-O 3.49Å; K84-D133 WeakPolarHBondContact CD-OD2 3.17Å; K84-D133 IonicContact NZ-OD1 3.57Å; K84-D133 IonicContact NZ-OD2 2.74Å; K84-D133 PolarHBondContact NZ-OD2 3.28Å
85N97.6Very high98.2Very high125 Ų12544.2 Ų44.267%0.66824%0.238SC*.G310 helixtrans-61.2-31.2179.7-67-15.6000112.4T82 L83T82-N85 WeakPolarHBondContact O-CB 3.34Å; T82-N85 PolarHBondContact O-N 3.4Å; L83-N85 VanDerWaalsContact C-N 3.28Å; L83-N85 PolarHBondContact O-N 2.97Å
86R96Very high98.2Very high189 Ų18940.1 Ų40.171%0.71321%0.214SC*.THydrogen-bonded Turntrans-106.7-7.2177.6-69.4-174.1-177.8-139.23.6113.4R48 F49 L83 K84R48-R86 VanDerWaalsContact CD-CB 3.4Å; F49-R86 VanDerWaalsContact CZ-O 3.29Å; F49-R86 WeakPolarHBondContact CZ-O 3.42Å; L83-R86 PolarHBondContact O-N 3.48Å; K84-R86 PolarHBondContact O-N 2.98Å
87N97.4Very high98.2Very high18 Ų1840.1 Ų40.110%0.09621%0.214CC..  trans-137.483.3169.4-1775.8000110.2R48 F49 L83 K84 N89 L90R48-N87 HydrophobicContact CB-CB 4.48Å; R48-N87 HydrophobicContact CG-CB 4.38Å; R48-N87 PolarHBondContact O-ND2 3.25Å; F49-N87 HydrophobicContact CD1-CB 3.96Å; F49-N87 HydrophobicContact CE1-CB 3.63Å; F49-N87 HydrophobicContact CZ-CB 4.22Å; L83-N87 PolarHBondContact O-N 3.23Å; K84-N87 WeakPolarHBondContact CA-O 3.26Å; K84-N87 CarbonylContact O-C 3.57Å; K84-N87 PolarHBondContact O-N 3.35Å; N87-N89 PolarHBondContact O-N 2.76Å; N87-N89 PolarHBondContact OD1-N 2.95Å; N87-L90 HydrophobicContact CB-CB 4.24Å; N87-L90 VanDerWaalsContact O-CB 3.29Å; N87-L90 WeakPolarHBondContact O-CB 3.45Å; N87-L90 PolarHBondContact O-N 3.44Å
88P96.1Very high98.2Very high98 Ų9840.2 Ų40.264%0.63622%0.215SC*.THydrogen-bonded Turntrans-61.9-18-177.4-25.335.5000114.6K84 K91K84-P88 WeakPolarHBondContact O-CA 3.22Å; P88-K91 PolarHBondContact O-NZ 2.56Å; P88-K91 VanDerWaalsContact O-NZ 3.09Å
89N97.1Very high98Very high137 Ų13747.3 Ų47.373%0.73323%0.23SC*.THydrogen-bonded Turntrans-78-25.6177.4-67.8-31.9000112.6N87 K91N87-N89 PolarHBondContact O-N 2.76Å; N87-N89 PolarHBondContact OD1-N 2.95Å; N89-K91 PolarHBondContact O-N 3.45Å; N89-K91 PolarHBondContact O-NZ 2.84Å
90L98.6Very high97.8Very high2 Ų250.4 Ų50.41%0.0125%0.248CC..  trans-55.7138.4174.6175.763.2000110.2C51 V54 L83 K84 N87C51-L90 WeakPolarHBondContact O-CD1 3.28Å; V54-L90 HydrophobicContact CG2-CD1 4.02Å; L83-L90 HydrophobicContact CB-CD2 3.74Å; K84-L90 WeakPolarHBondContact CD-O 3.36Å; K84-L90 HydrophobicContact CG-CB 4.15Å; K84-L90 HydrophobicContact CG-CD2 4.06Å; K84-L90 HydrophobicContact CG-CG 4.08Å; N87-L90 HydrophobicContact CB-CB 4.24Å; N87-L90 VanDerWaalsContact O-CB 3.29Å; N87-L90 WeakPolarHBondContact O-CB 3.45Å; N87-L90 PolarHBondContact O-N 3.44Å
91K98.8Very high97.7Very high27 Ų2750.7 Ų50.712%0.11725%0.249CC..EExtended strand (participates in β ladder)trans-115.2139.7173.7-60.1-69.9145.1-100.80109.4T52 H53 V54 P88 N89 D133 L173T52-K91 PolarHBondContact O-N 3.05Å; T52-K91 VanDerWaalsContact O-N 3.07Å; H53-K91 CarbonylContact C-O 3.5Å; H53-K91 WeakPolarHBondContact CA-O 3.23Å; H53-K91 VanDerWaalsContact CD2-CB 3.49Å; H53-K91 WeakPolarHBondContact CD2-CB 3.27Å; V54-K91 PolarHBondContact N-O 2.75Å; P88-K91 PolarHBondContact O-NZ 2.56Å; P88-K91 VanDerWaalsContact O-NZ 3.09Å; N89-K91 PolarHBondContact O-N 3.45Å; N89-K91 PolarHBondContact O-NZ 2.84Å; K91-D133 WeakPolarHBondContact CA-OD2 3.23Å; K91-D133 HydrophobicContact CB-CB 4.32Å; K91-D133 HydrophobicContact CD-CB 4.02Å; K91-L173 HydrophobicContact CB-CD1 4.36Å; K91-L173 HydrophobicContact CG-CD1 4.42Å
92T98.9Very high97.4Very high0 Ų051.3 Ų51.30%026%0.259CS..EExtended strand (participates in β ladder)trans-117.2131.8176.2520000109.8V54 L80 N81 K84 D133 G134V54-T92 CarbonylContact O-C 3.59Å; V54-T92 VanDerWaalsContact O-CA 3.26Å; V54-T92 WeakPolarHBondContact O-CA 3.25Å; L80-T92 HydrophobicContact CD1-CG2 4.37Å; L80-T92 HydrophobicContact CD2-CG2 4.27Å; L80-T92 HydrophobicContact CG-CG2 3.97Å; N81-T92 VanDerWaalsContact OD1-CB 3.31Å; N81-T92 WeakPolarHBondContact OD1-CB 3.2Å; N81-T92 WeakPolarHBondContact OD1-CG2 3.31Å; N81-T92 PolarHBondContact OD1-OG1 2.99Å; K84-T92 HydrophobicContact CD-CG2 4.07Å; K84-T92 HydrophobicContact CG-CG2 4.29Å; K84-T92 PolarHBondContact NZ-OG1 3.01Å; T92-D133 PolarHBondContact N-OD2 2.87Å; T92-D133 WeakPolarHBondContact O-CA 3.26Å; T92-D133 WeakPolarHBondContact O-CB 3.45Å; T92-D133 PolarHBondContact O-N 2.85Å; T92-D133 PolarHBondContact OG1-OD2 2.89Å; T92-G134 PolarHBondContact O-N 2.82Å
93L98.9Very high97.2Very high0 Ų049.2 Ų49.20%025%0.248CC..EExtended strand (participates in β ladder)trans-119.1153.1173.7-66.979.8000109.4H53 V54 I55 Y56 G134 L173 F200H53-L93 HydrophobicContact CB-CD1 4.38Å; V54-L93 PolarHBondContact O-N 3.05Å; I55-L93 CarbonylContact C-O 3.59Å; I55-L93 WeakPolarHBondContact CA-O 3.3Å; I55-L93 HydrophobicContact CG1-CB 4.17Å; I55-L93 HydrophobicContact CG2-CB 4.36Å; Y56-L93 PolarHBondContact N-O 2.87Å; L93-G134 VanDerWaalsContact CA-O 3.32Å; L93-G134 WeakPolarHBondContact CA-O 3.47Å; L93-L173 HydrophobicContact CD1-CD1 4.23Å; L93-L173 HydrophobicContact CD2-CB 4.11Å; L93-F200 HydrophobicContact CD2-CE1 4.3Å; L93-F200 HydrophobicContact CD2-CZ 4.06Å
94L98.9Very high97.1Very high0 Ų054 Ų540%027%0.27CS..EExtended strand (participates in β ladder)trans-103.6121.3171-176.559.3000108.8Y56 A59 I66 Y77 F126 L127 F132 G134 L135 D136Y56-L94 HydrophobicContact CD1-CD1 3.8Å; Y56-L94 HydrophobicContact CG-CD1 4.23Å; A59-L94 HydrophobicContact CB-CD1 3.97Å; A59-L94 HydrophobicContact CB-CD2 3.79Å; A59-L94 HydrophobicContact CB-CG 3.75Å; I66-L94 HydrophobicContact CD1-CD2 4.05Å; Y77-L94 HydrophobicContact CE1-CD1 3.92Å; L94-F126 HydrophobicContact CD2-CD1 3.9Å; L94-F126 HydrophobicContact CD2-CE1 3.49Å; L94-F126 VanDerWaalsContact CD2-CE1 3.49Å; L94-L127 HydrophobicContact CB-CD2 3.71Å; L94-L127 HydrophobicContact CD2-CD2 3.95Å; L94-L127 HydrophobicContact CG-CD2 4.46Å; L94-F132 HydrophobicContact CB-CD1 4.01Å; L94-F132 HydrophobicContact CB-CD2 4.06Å; L94-F132 HydrophobicContact CB-CE1 4.02Å; L94-F132 HydrophobicContact CB-CE2 4.08Å; L94-F132 HydrophobicContact CB-CG 4.03Å; L94-F132 HydrophobicContact CB-CZ 4.06Å; L94-F132 HydrophobicContact CD1-CE1 4.48Å; L94-F132 HydrophobicContact CD1-CE2 4.23Å; L94-F132 HydrophobicContact CD1-CZ 3.94Å; L94-F132 HydrophobicContact CD2-CD2 4.29Å; L94-F132 HydrophobicContact CD2-CE2 4.05Å; L94-F132 HydrophobicContact CG-CE2 4.36Å; L94-F132 HydrophobicContact CG-CZ 4.42Å; L94-G134 PolarHBondContact N-O 2.8Å; L94-L135 WeakPolarHBondContact O-CA 3.38Å; L94-L135 WeakPolarHBondContact O-CD1 3.35Å; L94-D136 PolarHBondContact O-N 3.28Å
95S98.9Very high97Very high0 Ų058.9 Ų58.90%029%0.288CS..EExtended strand (participates in β ladder)trans-88.8133.3175.2-167.60000110.6Y56 F58 A59 D136 A138Y56-S95 WeakPolarHBondContact O-CB 3.48Å; Y56-S95 PolarHBondContact O-N 2.69Å; F58-S95 CarbonylContact C-O 3.55Å; F58-S95 VanDerWaalsContact CA-O 3.26Å; F58-S95 WeakPolarHBondContact CA-O 3.48Å; F58-S95 WeakPolarHBondContact CD1-OG 3.35Å; F58-S95 VanDerWaalsContact CE1-OG 3.28Å; F58-S95 WeakPolarHBondContact CE1-OG 3.36Å; A59-S95 PolarHBondContact N-O 3.37Å; S95-D136 CarbonylContact C-O 3.58Å; S95-D136 VanDerWaalsContact CA-O 3.25Å; S95-D136 WeakPolarHBondContact CA-O 3.21Å; S95-D136 WeakPolarHBondContact CB-OD2 3.45Å; S95-D136 PolarHBondContact OG-O 3.46Å; S95-D136 PolarHBondContact OG-OD2 3.01Å; S95-A138 WeakPolarHBondContact OG-CB 3.48Å
96V98.9Very high97Very high0 Ų053 Ų530%026%0.256CS..EExtended strand (participates in β ladder)trans-113.7128.2176.459.30000109.5A59 I61 F106 F119 L135 D136 L137 A138A59-V96 HydrophobicContact CB-CB 4.24Å; A59-V96 HydrophobicContact CB-CG2 4.43Å; I61-V96 HydrophobicContact CD1-CG2 3.96Å; I61-V96 HydrophobicContact CG1-CG2 3.59Å; V96-F106 HydrophobicContact CG1-CZ 4.29Å; V96-F106 HydrophobicContact CG2-CZ 4.37Å; V96-F106 WeakPolarHBondContact O-CZ 3.3Å; V96-F119 HydrophobicContact CG1-CZ 4.15Å; V96-L135 HydrophobicContact CB-CD1 4.49Å; V96-L135 HydrophobicContact CG1-CD1 3.95Å; V96-L135 HydrophobicContact CG1-CD2 4.25Å; V96-L135 HydrophobicContact CG1-CG 4.27Å; V96-D136 PolarHBondContact N-O 3.05Å; V96-L137 HydrophobicContact CG1-CD2 3.87Å; V96-A138 PolarHBondContact O-N 2.67Å
97G98.3Very high97.1Very high1 Ų144 Ų441%0.0122%0.222CC..EExtended strand (participates in β ladder)trans118.6-123.8-177.700000114F58 F101 A138F58-G97 WeakPolarHBondContact CG-O 3.21Å; G97-F101 VanDerWaalsContact O-CB 3.28Å; G97-F101 WeakPolarHBondContact O-CB 3.39Å; G97-A138 WeakPolarHBondContact CA-O 3.47Å
98G97.4Very high97.1Very high2 Ų250.4 Ų50.42%0.02125%0.25CC..  trans88.1175.1-172.200000113.1N100 F101 A138G98-N100 PolarHBondContact O-N 3.19Å; G98-F101 PolarHBondContact O-N 3.16Å; G98-A138 PolarHBondContact N-O 3.27Å
99W95.1Very high97.2Very high187 Ų18745.9 Ų45.971%0.70822%0.22SC*.G310 helixtrans-59.6-47.3-174.3-174.6-104.8000112.5F101 G102 Y141W99-F101 VanDerWaalsContact C-N 3.28Å; W99-F101 PolarHBondContact O-N 3.41Å; W99-G102 PolarHBondContact O-N 3.08Å; W99-Y141 HydrophobicContact CZ3-CE2 4.46Å
100N94.9Very high97.2Very high132 Ų13239.4 Ų39.471%0.70619%0.185SC*.G310 helixtrans-74.3-14.1-176.4-67.4-16.9000114.1G98 G102G98-N100 PolarHBondContact O-N 3.19Å; N100-G102 VanDerWaalsContact C-N 3.32Å
101F95.6Very high97.2Very high6 Ų641.7 Ų41.73%0.02620%0.202CC..G310 helixtrans-70.7-32.4173.4-178.6-100.4000111.9N60 I61 W69 G97 G98 W99 R105 F106N60-F101 VanDerWaalsContact OD1-CE2 3.3Å; N60-F101 WeakPolarHBondContact OD1-CE2 3.41Å; I61-F101 HydrophobicContact CB-CE2 4.01Å; I61-F101 HydrophobicContact CB-CZ 3.83Å; I61-F101 HydrophobicContact CD1-CE1 4.41Å; I61-F101 HydrophobicContact CD1-CZ 3.79Å; I61-F101 HydrophobicContact CG1-CE2 4.06Å; I61-F101 HydrophobicContact CG1-CZ 3.73Å; W69-F101 HydrophobicContact CH2-CB 4.3Å; W69-F101 HydrophobicContact CZ3-CB 4.04Å; W69-F101 AromaticContact CZ3-CD2 3.82Å; W69-F101 HydrophobicContact CZ3-CD2 3.82Å; W69-F101 HydrophobicContact CZ3-CG 4.43Å; G97-F101 VanDerWaalsContact O-CB 3.28Å; G97-F101 WeakPolarHBondContact O-CB 3.39Å; G98-F101 PolarHBondContact O-N 3.16Å; W99-F101 VanDerWaalsContact C-N 3.28Å; W99-F101 PolarHBondContact O-N 3.41Å; F101-R105 HydrophobicContact CD1-CB 4.22Å; F101-R105 HydrophobicContact CE1-CB 3.47Å; F101-R105 VanDerWaalsContact CE1-CB 3.47Å; F101-R105 HydrophobicContact CE2-CB 4.26Å; F101-R105 HydrophobicContact CZ-CB 3.5Å; F101-R105 HydrophobicContact CZ-CG 4.37Å; F101-F106 AromaticContact CD1-CD2 3.52Å; F101-F106 HydrophobicContact CD1-CD2 3.52Å; F101-F106 AromaticContact CD1-CE2 3.58Å; F101-F106 HydrophobicContact CD1-CE2 3.58Å; F101-F106 HydrophobicContact CD1-CG 4.46Å; F101-F106 HydrophobicContact CE1-CB 4.46Å; F101-F106 AromaticContact CE1-CD2 3.31Å; F101-F106 HydrophobicContact CE1-CD2 3.31Å; F101-F106 AromaticContact CE1-CE2 3.52Å; F101-F106 HydrophobicContact CE1-CE2 3.52Å; F101-F106 AromaticContact CE1-CG 3.84Å; F101-F106 HydrophobicContact CE1-CG 3.84Å; F101-F106 HydrophobicContact CE1-CZ 4.21Å; F101-F106 HydrophobicContact CZ-CD2 4.5Å
102G92.3Very high97.2Very high30 Ų3044.2 Ų44.231%0.30922%0.216SC..  trans76.1145.3179.800000114W99 N100 Q104W99-G102 PolarHBondContact O-N 3.08Å; N100-G102 VanDerWaalsContact C-N 3.32Å; G102-Q104 VanDerWaalsContact C-N 3.31Å; G102-Q104 PolarHBondContact O-N 3.41Å
103S94.9Very high97.2Very high38 Ų3848.5 Ų48.527%0.26624%0.242SC..Hα-helixtrans-68.4-25.6-175.1600000114.4R105 F106 S107 W139 Y141S103-R105 PolarHBondContact O-N 3.35Å; S103-F106 PolarHBondContact O-N 3.18Å; S103-S107 PolarHBondContact O-N 2.96Å; S103-W139 PolarHBondContact O-NE1 3.02Å; S103-Y141 WeakPolarHBondContact CB-O 3.24Å
104Q96.4Very high97.2Very high111 Ų11155.1 Ų55.152%0.51927%0.273SS..Hα-helixtrans-68.5-35.3-173.6-65.7-58.4-40.200113.2G102 S107 K108G102-Q104 VanDerWaalsContact C-N 3.31Å; G102-Q104 PolarHBondContact O-N 3.41Å; Q104-S107 PolarHBondContact O-N 3.38Å; Q104-K108 WeakPolarHBondContact O-CG 3.32Å; Q104-K108 PolarHBondContact O-N 3.49Å
105R95.1Very high97.2Very high133 Ų13356.1 Ų56.150%0.50228%0.28SS..Hα-helixtrans-64.2-46.6177.7-70-176.8-176.2165.23.5110.6F101 S103 K108 M109F101-R105 HydrophobicContact CD1-CB 4.22Å; F101-R105 HydrophobicContact CE1-CB 3.47Å; F101-R105 VanDerWaalsContact CE1-CB 3.47Å; F101-R105 HydrophobicContact CE2-CB 4.26Å; F101-R105 HydrophobicContact CZ-CB 3.5Å; F101-R105 HydrophobicContact CZ-CG 4.37Å; S103-R105 PolarHBondContact O-N 3.35Å; R105-K108 PolarHBondContact O-N 2.74Å; R105-M109 PolarHBondContact O-N 3.18Å; R105-M109 VanDerWaalsContact O-N 3.11Å
106F97.3Very high97.2Very high1 Ų156.8 Ų56.80%0.00428%0.283CS..Hα-helixtrans-61.6-45.7172.6-90.3-64.6000112.7I61 V96 F101 S103 K108 M109 A110 W139I61-F106 HydrophobicContact CD1-CD1 4.3Å; I61-F106 HydrophobicContact CD1-CE1 3.89Å; I61-F106 HydrophobicContact CD1-CZ 4.32Å; V96-F106 HydrophobicContact CG1-CZ 4.29Å; V96-F106 HydrophobicContact CG2-CZ 4.37Å; V96-F106 WeakPolarHBondContact O-CZ 3.3Å; F101-F106 AromaticContact CD1-CD2 3.52Å; F101-F106 HydrophobicContact CD1-CD2 3.52Å; F101-F106 AromaticContact CD1-CE2 3.58Å; F101-F106 HydrophobicContact CD1-CE2 3.58Å; F101-F106 HydrophobicContact CD1-CG 4.46Å; F101-F106 HydrophobicContact CE1-CB 4.46Å; F101-F106 AromaticContact CE1-CD2 3.31Å; F101-F106 HydrophobicContact CE1-CD2 3.31Å; F101-F106 AromaticContact CE1-CE2 3.52Å; F101-F106 HydrophobicContact CE1-CE2 3.52Å; F101-F106 AromaticContact CE1-CG 3.84Å; F101-F106 HydrophobicContact CE1-CG 3.84Å; F101-F106 HydrophobicContact CE1-CZ 4.21Å; F101-F106 HydrophobicContact CZ-CD2 4.5Å; S103-F106 PolarHBondContact O-N 3.18Å; F106-K108 VanDerWaalsContact C-N 3.3Å; F106-K108 PolarHBondContact O-N 3.04Å; F106-M109 HydrophobicContact CD1-CE 3.76Å; F106-M109 HydrophobicContact CE1-CE 4.04Å; F106-M109 PolarHBondContact O-N 3.24Å; F106-A110 VanDerWaalsContact O-CB 3.24Å; F106-A110 WeakPolarHBondContact O-CB 3.27Å; F106-A110 PolarHBondContact O-N 3.21Å; F106-W139 HydrophobicContact CB-CB 4.43Å; F106-W139 HydrophobicContact CB-CD2 3.32Å; F106-W139 HydrophobicContact CB-CE3 3.75Å; F106-W139 HydrophobicContact CB-CG 3.62Å; F106-W139 HydrophobicContact CB-CH2 4.17Å; F106-W139 HydrophobicContact CB-CZ2 3.8Å; F106-W139 HydrophobicContact CB-CZ3 4.16Å; F106-W139 HydrophobicContact CD1-CB 4.3Å; F106-W139 HydrophobicContact CD1-CD2 4.24Å; F106-W139 HydrophobicContact CD1-CE3 4.13Å; F106-W139 HydrophobicContact CD1-CG 4.33Å; F106-W139 HydrophobicContact CD2-CB 3.59Å; F106-W139 AromaticContact CD2-CD1 3.79Å; F106-W139 HydrophobicContact CD2-CD2 4.19Å; F106-W139 AromaticContact CD2-CG 3.57Å; F106-W139 HydrophobicContact CD2-CG 3.57Å; F106-W139 HydrophobicContact CE2-CB 3.81Å; F106-W139 HydrophobicContact CE2-CG 4.31Å; F106-W139 HydrophobicContact CG-CB 3.87Å; F106-W139 AromaticContact CG-CD2 3.7Å; F106-W139 HydrophobicContact CG-CD2 3.7Å; F106-W139 HydrophobicContact CG-CE3 4.04Å; F106-W139 AromaticContact CG-CG 3.6Å; F106-W139 HydrophobicContact CG-CG 3.6Å; F106-W139 HydrophobicContact CZ-CB 4.27Å
107S98.1Very high97.2Very high1 Ų159.1 Ų59.11%0.00729%0.294CS..Hα-helixtrans-56.4-44.9-179.7-177.50000111.4S103 Q104 S111 R145 D146S103-S107 PolarHBondContact O-N 2.96Å; Q104-S107 PolarHBondContact O-N 3.38Å; S107-S111 WeakPolarHBondContact O-CB 3.32Å; S107-S111 PolarHBondContact O-N 2.99Å; S107-S111 PolarHBondContact O-OG 3.4Å; S107-R145 PolarHBondContact OG-NH2 3.41Å; S107-D146 WeakPolarHBondContact CB-OD1 3.49Å; S107-D146 PolarHBondContact OG-OD1 2.93Å; S107-D146 PolarHBondContact OG-OD2 2.87Å
108K97.9Very high97.2Very high153 Ų15360.8 Ų60.867%0.66530%0.304SS*.Hα-helixtrans-63.6-50.1176.3-71.8179.8179.9-176.60112.5Q104 R105 F106 S111 N112Q104-K108 WeakPolarHBondContact O-CG 3.32Å; Q104-K108 PolarHBondContact O-N 3.49Å; R105-K108 PolarHBondContact O-N 2.74Å; F106-K108 VanDerWaalsContact C-N 3.3Å; F106-K108 PolarHBondContact O-N 3.04Å; K108-S111 PolarHBondContact O-OG 3.19Å; K108-N112 PolarHBondContact O-N 2.71Å
109M98.4Very high97.3Very high3 Ų360.7 Ų60.72%0.01530%0.303CS..Hα-helixtrans-63.2-47.1-179.3177.2-79.9-73.600111.6I61 R105 F106 R116 F119 L153I61-M109 HydrophobicContact CD1-CE 3.87Å; R105-M109 PolarHBondContact O-N 3.18Å; R105-M109 VanDerWaalsContact O-N 3.11Å; F106-M109 HydrophobicContact CD1-CE 3.76Å; F106-M109 HydrophobicContact CE1-CE 4.04Å; F106-M109 PolarHBondContact O-N 3.24Å; M109-R116 WeakPolarHBondContact O-CA 3.27Å; M109-R116 WeakPolarHBondContact O-CB 3.47Å; M109-R116 PolarHBondContact O-N 2.75Å; M109-R116 VanDerWaalsContact O-N 3.14Å; M109-R116 HydrophobicContact SD-CB 4.34Å; M109-R116 HydrophobicContact SD-CG 4.43Å; M109-F119 HydrophobicContact CE-CB 4.32Å; M109-F119 HydrophobicContact CE-CD1 3.41Å; M109-F119 VanDerWaalsContact CE-CD1 3.41Å; M109-F119 HydrophobicContact CE-CD2 4.38Å; M109-F119 HydrophobicContact CE-CE1 3.73Å; M109-F119 HydrophobicContact CE-CG 3.77Å; M109-F119 HydrophobicContact CE-CZ 4.35Å; M109-F119 HydrophobicContact CG-CB 3.9Å; M109-F119 HydrophobicContact CG-CG 4.28Å; M109-F119 HydrophobicContact SD-CB 3.69Å; M109-F119 HydrophobicContact SD-CD1 3.67Å; M109-F119 HydrophobicContact SD-CG 3.8Å; M109-L153 HydrophobicContact CE-CD1 4.35Å; M109-L153 HydrophobicContact CE-CD2 4.08Å; M109-L153 HydrophobicContact SD-CD1 4.45Å
110A98.4Very high97.5Very high0 Ų051.9 Ų51.90%027%0.269CS..Hα-helixtrans-74.8-31.5-173.900000113.1F106 R116 W139 H149 L153F106-A110 VanDerWaalsContact O-CB 3.24Å; F106-A110 WeakPolarHBondContact O-CB 3.27Å; F106-A110 PolarHBondContact O-N 3.21Å; A110-R116 WeakPolarHBondContact O-CD 3.31Å; A110-R116 PolarHBondContact O-NH1 3.48Å; A110-W139 HydrophobicContact CB-CH2 3.92Å; A110-W139 HydrophobicContact CB-CZ3 3.64Å; A110-H149 HydrophobicContact CB-CB 4.12Å; A110-L153 HydrophobicContact CB-CD2 4.46Å
111S98.3Very high97.6Very high51 Ų5151.3 Ų51.336%0.35726%0.261SS..Hα-helixtrans-76-29.1179.760.20000113.5S107 K108S107-S111 WeakPolarHBondContact O-CB 3.32Å; S107-S111 PolarHBondContact O-N 2.99Å; S107-S111 PolarHBondContact O-OG 3.4Å; K108-S111 PolarHBondContact O-OG 3.19Å
112N98.6Very high97.8Very high80 Ų8051.7 Ų51.743%0.42826%0.264SS..SBendtrans-88.6122.3176.9-175.9-61.1000111.1K108 Q114 S115 R116K108-N112 PolarHBondContact O-N 2.71Å; N112-Q114 VanDerWaalsContact C-N 3.34Å; N112-Q114 PolarHBondContact O-N 3.23Å; N112-Q114 WeakPolarHBondContact OD1-CA 3.43Å; N112-Q114 WeakPolarHBondContact OD1-CB 3.43Å; N112-Q114 PolarHBondContact OD1-N 3.08Å; N112-S115 PolarHBondContact O-N 2.89Å; N112-S115 PolarHBondContact OD1-N 2.87Å; N112-S115 VanDerWaalsContact OD1-N 3.07Å; N112-R116 VanDerWaalsContact O-CB 3.26Å; N112-R116 WeakPolarHBondContact O-CB 3.43Å; N112-R116 PolarHBondContact O-N 3.29Å
113T98.7Very high98.1Very high89 Ų8950.3 Ų50.355%0.54625%0.249SC..Hα-helixtrans-60-40.2-178.3-60.10000113.3Q117T113-Q117 HydrophobicContact CG2-CG 4.47Å; T113-Q117 VanDerWaalsContact O-CB 3.32Å; T113-Q117 WeakPolarHBondContact O-CB 3.02Å; T113-Q117 WeakPolarHBondContact O-CG 3.49Å; T113-Q117 PolarHBondContact O-N 3.19Å
114Q98.6Very high98.3Very high140 Ų14048.7 Ų48.765%0.65424%0.238SC*.Hα-helixtrans-68.1-50.2179.9-169.667.830.900110.5N112 R116 Q117 T118N112-Q114 VanDerWaalsContact C-N 3.34Å; N112-Q114 PolarHBondContact O-N 3.23Å; N112-Q114 WeakPolarHBondContact OD1-CA 3.43Å; N112-Q114 WeakPolarHBondContact OD1-CB 3.43Å; N112-Q114 PolarHBondContact OD1-N 3.08Å; Q114-R116 PolarHBondContact O-N 3.32Å; Q114-Q117 PolarHBondContact O-N 2.93Å; Q114-T118 PolarHBondContact O-N 2.94Å; Q114-T118 PolarHBondContact O-OG1 2.94Å
115S98.7Very high98.4Very high20 Ų2046.8 Ų46.814%0.1424%0.236CC..Hα-helixtrans-58.8-45.6177.6-63.30000112.1D64 N112 Q117 T118 F119D64-S115 WeakPolarHBondContact OD2-CA 3.21Å; D64-S115 WeakPolarHBondContact OD2-CB 3.43Å; D64-S115 PolarHBondContact OD2-OG 2.72Å; N112-S115 PolarHBondContact O-N 2.89Å; N112-S115 PolarHBondContact OD1-N 2.87Å; N112-S115 VanDerWaalsContact OD1-N 3.07Å; S115-Q117 VanDerWaalsContact C-N 3.33Å; S115-Q117 PolarHBondContact O-N 3.36Å; S115-T118 WeakPolarHBondContact O-CB 3.23Å; S115-T118 PolarHBondContact O-N 3.18Å; S115-F119 PolarHBondContact O-N 2.89Å
116R98.8Very high98.6Very high14 Ų1441.9 Ų41.95%0.05322%0.218CC..Hα-helixtrans-59.4-43.7177.2-173172.866-102.2-0.8112.1M109 A110 N112 Q114 F119 I120 L153 E156M109-R116 WeakPolarHBondContact O-CA 3.27Å; M109-R116 WeakPolarHBondContact O-CB 3.47Å; M109-R116 PolarHBondContact O-N 2.75Å; M109-R116 VanDerWaalsContact O-N 3.14Å; M109-R116 HydrophobicContact SD-CB 4.34Å; M109-R116 HydrophobicContact SD-CG 4.43Å; A110-R116 WeakPolarHBondContact O-CD 3.31Å; A110-R116 PolarHBondContact O-NH1 3.48Å; N112-R116 VanDerWaalsContact O-CB 3.26Å; N112-R116 WeakPolarHBondContact O-CB 3.43Å; N112-R116 PolarHBondContact O-N 3.29Å; Q114-R116 PolarHBondContact O-N 3.32Å; R116-F119 PolarHBondContact O-N 2.79Å; R116-I120 HydrophobicContact CG-CD1 3.82Å; R116-I120 WeakPolarHBondContact O-CB 3.46Å; R116-I120 WeakPolarHBondContact O-CD1 3.5Å; R116-I120 VanDerWaalsContact O-CG1 3.22Å; R116-I120 WeakPolarHBondContact O-CG1 3.49Å; R116-I120 PolarHBondContact O-N 2.86Å; R116-L153 HydrophobicContact CG-CD1 4.02Å; R116-E156 IonicContact CZ-OE1 2.67Å; R116-E156 IonicContact CZ-OE2 3.51Å; R116-E156 IonicContact NE-OE1 3.3Å; R116-E156 IonicContact NE-OE2 3.88Å; R116-E156 PolarHBondContact NE-OE2 3.37Å; R116-E156 IonicContact NH2-OE1 3.3Å; R116-E156 PolarHBondContact NH2-OE1 3.39Å; R116-E156 IonicContact NH2-OE2 3.18Å
117Q98.8Very high98.6Very high50 Ų5041.9 Ų41.923%0.23422%0.218CC..Hα-helixtrans-69.7-37.4178.4-73.3-68.3-42.700112.6T113 Q114 S115 K121 E156T113-Q117 HydrophobicContact CG2-CG 4.47Å; T113-Q117 VanDerWaalsContact O-CB 3.32Å; T113-Q117 WeakPolarHBondContact O-CB 3.02Å; T113-Q117 WeakPolarHBondContact O-CG 3.49Å; T113-Q117 PolarHBondContact O-N 3.19Å; Q114-Q117 PolarHBondContact O-N 2.93Å; S115-Q117 VanDerWaalsContact C-N 3.33Å; S115-Q117 PolarHBondContact O-N 3.36Å; Q117-K121 WeakPolarHBondContact O-CB 3.41Å; Q117-K121 VanDerWaalsContact O-CG 3.28Å; Q117-K121 WeakPolarHBondContact O-CG 3.37Å; Q117-K121 PolarHBondContact O-N 2.74Å; Q117-E156 VanDerWaalsContact NE2-CD 3.32Å; Q117-E156 PolarHBondContact NE2-OE2 2.97Å
118T98.8Very high98.6Very high36 Ų3645.5 Ų45.522%0.22123%0.231CC..Hα-helixtrans-59.1-48.6171.5-61.20000110.5D64 H65 Q114 S115 K121 S122D64-T118 HydrophobicContact CB-CG2 3.94Å; D64-T118 CarbonylContact O-C 3.59Å; H65-T118 WeakPolarHBondContact CE1-CG2 3.27Å; Q114-T118 PolarHBondContact O-N 2.94Å; Q114-T118 PolarHBondContact O-OG1 2.94Å; S115-T118 WeakPolarHBondContact O-CB 3.23Å; S115-T118 PolarHBondContact O-N 3.18Å; T118-K121 PolarHBondContact O-N 3.29Å; T118-S122 WeakPolarHBondContact O-CB 3.31Å; T118-S122 PolarHBondContact O-N 2.88Å
119F98.9Very high98.6Very high0 Ų043.4 Ų43.40%023%0.231CC..Hα-helixtrans-59.7-52.9177.8173.8-108.9000111.8I61 D64 I66 V96 M109 S115 R116 K121 S122 V123 L153 M157I61-F119 HydrophobicContact CD1-CD2 3.94Å; I61-F119 HydrophobicContact CD1-CE2 3.6Å; I61-F119 HydrophobicContact CD1-CZ 4.02Å; I61-F119 HydrophobicContact CG1-CD2 4.24Å; I61-F119 HydrophobicContact CG1-CE2 3.84Å; I61-F119 HydrophobicContact CG2-CD2 4.18Å; D64-F119 WeakPolarHBondContact O-CA 3.41Å; D64-F119 VanDerWaalsContact O-CB 3.28Å; D64-F119 WeakPolarHBondContact O-CB 3.49Å; D64-F119 PolarHBondContact O-N 3.45Å; I66-F119 HydrophobicContact CB-CE2 4.04Å; V96-F119 HydrophobicContact CG1-CZ 4.15Å; M109-F119 HydrophobicContact CE-CB 4.32Å; M109-F119 HydrophobicContact CE-CD1 3.41Å; M109-F119 VanDerWaalsContact CE-CD1 3.41Å; M109-F119 HydrophobicContact CE-CD2 4.38Å; M109-F119 HydrophobicContact CE-CE1 3.73Å; M109-F119 HydrophobicContact CE-CG 3.77Å; M109-F119 HydrophobicContact CE-CZ 4.35Å; M109-F119 HydrophobicContact CG-CB 3.9Å; M109-F119 HydrophobicContact CG-CG 4.28Å; M109-F119 HydrophobicContact SD-CB 3.69Å; M109-F119 HydrophobicContact SD-CD1 3.67Å; M109-F119 HydrophobicContact SD-CG 3.8Å; S115-F119 PolarHBondContact O-N 2.89Å; R116-F119 PolarHBondContact O-N 2.79Å; F119-K121 VanDerWaalsContact C-N 3.29Å; F119-K121 PolarHBondContact O-N 2.8Å; F119-S122 PolarHBondContact O-N 3.28Å; F119-S122 PolarHBondContact O-OG 3.47Å; F119-V123 HydrophobicContact CD2-CG2 4.38Å; F119-V123 HydrophobicContact CE1-CG2 4.28Å; F119-V123 HydrophobicContact CE2-CG2 3.9Å; F119-V123 HydrophobicContact CZ-CG2 3.85Å; F119-V123 WeakPolarHBondContact O-CG2 3.27Å; F119-V123 PolarHBondContact O-N 2.79Å; F119-L153 HydrophobicContact CD1-CD1 3.93Å; F119-L153 HydrophobicContact CE1-CD1 4.06Å; F119-M157 HydrophobicContact CD1-CE 3.91Å; F119-M157 HydrophobicContact CE1-CE 3.46Å; F119-M157 VanDerWaalsContact CE1-CE 3.46Å; F119-M157 HydrophobicContact CZ-CE 4.2Å
120I98.9Very high98.7Very high1 Ų145.2 Ų45.21%0.00524%0.24CC..Hα-helixtrans-55.8-43.7-180-71.1165.6000111.6R116 S122 V123 P124 L153 E156 M157 E160R116-I120 HydrophobicContact CG-CD1 3.82Å; R116-I120 WeakPolarHBondContact O-CB 3.46Å; R116-I120 WeakPolarHBondContact O-CD1 3.5Å; R116-I120 VanDerWaalsContact O-CG1 3.22Å; R116-I120 WeakPolarHBondContact O-CG1 3.49Å; R116-I120 PolarHBondContact O-N 2.86Å; I120-S122 VanDerWaalsContact C-N 3.33Å; I120-S122 PolarHBondContact O-N 3.3Å; I120-V123 PolarHBondContact O-N 2.67Å; I120-P124 WeakPolarHBondContact O-CD 3.46Å; I120-L153 HydrophobicContact CD1-CD1 4.17Å; I120-L153 HydrophobicContact CG1-CD1 4.03Å; I120-E156 HydrophobicContact CD1-CB 3.45Å; I120-E156 VanDerWaalsContact CD1-CB 3.45Å; I120-M157 HydrophobicContact CB-CE 4.3Å; I120-M157 HydrophobicContact CB-SD 4.48Å; I120-M157 HydrophobicContact CG1-CB 4.47Å; I120-M157 HydrophobicContact CG1-CE 3.79Å; I120-M157 HydrophobicContact CG1-SD 4.32Å; I120-M157 HydrophobicContact CG2-SD 4.21Å; I120-E160 HydrophobicContact CG2-CB 3.49Å; I120-E160 VanDerWaalsContact CG2-CB 3.49Å; I120-E160 HydrophobicContact CG2-CG 3.86Å
121K98.8Very high98.6Very high121 Ų12146.8 Ų46.853%0.52626%0.256SS..Hα-helixtrans-70.9-27.2179.7-71.7174.6-177.21770113.4Q117 T118 F119 V123 P125Q117-K121 WeakPolarHBondContact O-CB 3.41Å; Q117-K121 VanDerWaalsContact O-CG 3.28Å; Q117-K121 WeakPolarHBondContact O-CG 3.37Å; Q117-K121 PolarHBondContact O-N 2.74Å; T118-K121 PolarHBondContact O-N 3.29Å; F119-K121 VanDerWaalsContact C-N 3.29Å; F119-K121 PolarHBondContact O-N 2.8Å; K121-V123 VanDerWaalsContact C-N 3.34Å; K121-P125 WeakPolarHBondContact O-CD 3.47Å
122S98.9Very high98.7Very high14 Ų1444.5 Ų44.510%0.09824%0.24CC..Hα-helixtrans-72.9-25.9177.176.20000113.2H65 I66 T118 F119 I120 P125 F126H65-S122 WeakPolarHBondContact CA-OG 3.46Å; H65-S122 VanDerWaalsContact CD2-CB 3.47Å; H65-S122 WeakPolarHBondContact CD2-CB 3.41Å; I66-S122 PolarHBondContact N-OG 3.28Å; T118-S122 WeakPolarHBondContact O-CB 3.31Å; T118-S122 PolarHBondContact O-N 2.88Å; F119-S122 PolarHBondContact O-N 3.28Å; F119-S122 PolarHBondContact O-OG 3.47Å; I120-S122 VanDerWaalsContact C-N 3.33Å; I120-S122 PolarHBondContact O-N 3.3Å; S122-P125 WeakPolarHBondContact O-CD 3.45Å; S122-P125 WeakPolarHBondContact O-CG 3.45Å; S122-F126 WeakPolarHBondContact O-CB 3.43Å; S122-F126 PolarHBondContact O-N 2.86Å
123V98.9Very high98.7Very high0 Ų042.2 Ų42.20%023%0.228CC..Hα-helixtrans-69-56.2-170.5167.50000113.7I66 F119 I120 K121 F126 L127 L135 M157 F161I66-V123 HydrophobicContact CB-CG2 4.04Å; I66-V123 HydrophobicContact CD1-CG2 4.2Å; I66-V123 HydrophobicContact CG2-CG2 4Å; F119-V123 HydrophobicContact CD2-CG2 4.38Å; F119-V123 HydrophobicContact CE1-CG2 4.28Å; F119-V123 HydrophobicContact CE2-CG2 3.9Å; F119-V123 HydrophobicContact CZ-CG2 3.85Å; F119-V123 WeakPolarHBondContact O-CG2 3.27Å; F119-V123 PolarHBondContact O-N 2.79Å; I120-V123 PolarHBondContact O-N 2.67Å; K121-V123 VanDerWaalsContact C-N 3.34Å; V123-F126 PolarHBondContact O-N 2.92Å; V123-L127 HydrophobicContact CG1-CD1 3.52Å; V123-L127 HydrophobicContact CG1-CG 3.95Å; V123-L127 WeakPolarHBondContact O-CG 3.28Å; V123-L127 PolarHBondContact O-N 3.46Å; V123-L135 HydrophobicContact CG1-CB 4.39Å; V123-L135 HydrophobicContact CG1-CD1 4.13Å; V123-L135 HydrophobicContact CG1-CD2 4.08Å; V123-L135 HydrophobicContact CG1-CG 4.44Å; V123-L135 HydrophobicContact CG2-CD2 4.39Å; V123-M157 HydrophobicContact CB-CE 4.13Å; V123-M157 HydrophobicContact CB-SD 4.07Å; V123-M157 HydrophobicContact CG1-CE 4.39Å; V123-M157 HydrophobicContact CG1-SD 4.05Å; V123-M157 HydrophobicContact CG2-CE 3.76Å; V123-M157 HydrophobicContact CG2-SD 4.37Å; V123-F161 HydrophobicContact CG1-CE1 3.7Å; V123-F161 HydrophobicContact CG1-CZ 3.74Å
124P98.7Very high98.7Very high5 Ų538 Ų383%0.03220%0.202CC..Hα-helixtrans-54.5-49.2-177.4-20.928000114.4I120 F126 L127 R128 E160 F161 E164 L172I120-P124 WeakPolarHBondContact O-CD 3.46Å; P124-F126 VanDerWaalsContact C-N 3.32Å; P124-F126 PolarHBondContact O-N 2.99Å; P124-L127 PolarHBondContact O-N 3.21Å; P124-R128 WeakPolarHBondContact O-CB 3.39Å; P124-R128 VanDerWaalsContact O-CG 3.27Å; P124-R128 WeakPolarHBondContact O-CG 3.5Å; P124-R128 PolarHBondContact O-N 2.97Å; P124-E160 HydrophobicContact CG-CG 4.03Å; P124-F161 HydrophobicContact CG-CD1 4.08Å; P124-F161 HydrophobicContact CG-CE1 4.05Å; P124-E164 HydrophobicContact CB-CB 4.21Å; P124-E164 HydrophobicContact CB-CG 3.82Å; P124-L172 HydrophobicContact CB-CD1 4Å
125P98.4Very high98.7Very high71 Ų7131.3 Ų31.346%0.46117%0.171SC..Hα-helixtrans-63.4-37.4179.423.9-32000112.4K121 S122 T129K121-P125 WeakPolarHBondContact O-CD 3.47Å; S122-P125 WeakPolarHBondContact O-CD 3.45Å; S122-P125 WeakPolarHBondContact O-CG 3.45Å; P125-T129 VanDerWaalsContact O-CB 3.23Å; P125-T129 WeakPolarHBondContact O-CB 3.4Å; P125-T129 PolarHBondContact O-N 2.92Å; P125-T129 PolarHBondContact O-OG1 3.41Å
126F98.9Very high98.7Very high30 Ų3030.4 Ų30.413%0.13216%0.164CC..Hα-helixtrans-62.1-50.4176.1-169.5-85.7000111.5I66 T68 Y77 L94 S122 V123 P124 R128 T129 H130I66-F126 HydrophobicContact CD1-CD1 4.32Å; I66-F126 HydrophobicContact CG1-CD1 4.37Å; I66-F126 HydrophobicContact CG2-CB 3.45Å; I66-F126 VanDerWaalsContact CG2-CB 3.45Å; I66-F126 HydrophobicContact CG2-CD1 4.02Å; I66-F126 HydrophobicContact CG2-CD2 3.97Å; I66-F126 HydrophobicContact CG2-CG 3.55Å; T68-F126 HydrophobicContact CG2-CZ 4.04Å; Y77-F126 AromaticContact CE2-CE1 3.99Å; Y77-F126 HydrophobicContact CE2-CE1 3.99Å; Y77-F126 HydrophobicContact CE2-CZ 4.07Å; L94-F126 HydrophobicContact CD2-CD1 3.9Å; L94-F126 HydrophobicContact CD2-CE1 3.49Å; L94-F126 VanDerWaalsContact CD2-CE1 3.49Å; S122-F126 WeakPolarHBondContact O-CB 3.43Å; S122-F126 PolarHBondContact O-N 2.86Å; V123-F126 PolarHBondContact O-N 2.92Å; P124-F126 VanDerWaalsContact C-N 3.32Å; P124-F126 PolarHBondContact O-N 2.99Å; F126-R128 PolarHBondContact O-N 3.32Å; F126-T129 PolarHBondContact O-N 3.02Å; F126-H130 AromaticContact CD1-CD2 3.77Å; F126-H130 AromaticContact CE1-CD2 3.58Å; F126-H130 AromaticContact CE2-CD2 3.94Å; F126-H130 AromaticContact CE2-NE2 3.81Å; F126-H130 AromaticContact CZ-CD2 3.68Å; F126-H130 AromaticContact CZ-NE2 3.86Å; F126-H130 PolarHBondContact O-CD2 2.8Å; F126-H130 PolarHBondContact O-N 3.29Å
127L98.8Very high98.7Very high0 Ų029.8 Ų29.80%016%0.162CC..Hα-helixtrans-61.7-44-180-64.7-179.6000112L94 V123 P124 H130 G131 F132 L135 F161 L172L94-L127 HydrophobicContact CB-CD2 3.71Å; L94-L127 HydrophobicContact CD2-CD2 3.95Å; L94-L127 HydrophobicContact CG-CD2 4.46Å; V123-L127 HydrophobicContact CG1-CD1 3.52Å; V123-L127 HydrophobicContact CG1-CG 3.95Å; V123-L127 WeakPolarHBondContact O-CG 3.28Å; V123-L127 PolarHBondContact O-N 3.46Å; P124-L127 PolarHBondContact O-N 3.21Å; L127-H130 CarbonylContact O-C 3.56Å; L127-H130 PolarHBondContact O-N 3.38Å; L127-G131 PolarHBondContact O-N 3.29Å; L127-F132 HydrophobicContact CB-CB 4.14Å; L127-F132 HydrophobicContact CD2-CB 3.91Å; L127-F132 HydrophobicContact CD2-CD2 4.29Å; L127-F132 HydrophobicContact CD2-CG 4.29Å; L127-F132 PolarHBondContact O-N 2.88Å; L127-L135 HydrophobicContact CD1-CB 4.05Å; L127-L135 HydrophobicContact CD2-CD1 4.43Å; L127-F161 HydrophobicContact CD1-CZ 4.07Å; L127-L172 HydrophobicContact CB-CD2 4.28Å; L127-L172 HydrophobicContact CD1-CD1 4.1Å; L127-L172 HydrophobicContact CD1-CD2 4.27Å
128R97.7Very high98.7Very high78 Ų7827.5 Ų27.529%0.29415%0.152SC..Hα-helixtrans-65.2-42.1177.8-66-54.9-170.5-168.71112P124 F126 H130 G131 E164 K170P124-R128 WeakPolarHBondContact O-CB 3.39Å; P124-R128 VanDerWaalsContact O-CG 3.27Å; P124-R128 WeakPolarHBondContact O-CG 3.5Å; P124-R128 PolarHBondContact O-N 2.97Å; F126-R128 PolarHBondContact O-N 3.32Å; R128-H130 VanDerWaalsContact C-N 3.27Å; R128-H130 PolarHBondContact O-N 3.11Å; R128-G131 PolarHBondContact O-N 3.23Å; R128-E164 IonicContact CZ-OE1 3.57Å; R128-E164 IonicContact CZ-OE2 3.52Å; R128-E164 IonicContact NE-OE1 2.82Å; R128-E164 PolarHBondContact NE-OE1 2.82Å; R128-E164 IonicContact NE-OE2 3.44Å; R128-E164 PolarHBondContact NE-OE2 2.83Å; R128-E164 IonicContact NH2-OE1 3.43Å; R128-E164 PolarHBondContact NH2-OE1 3.17Å; R128-E164 IonicContact NH2-OE2 2.77Å; R128-E164 PolarHBondContact NH2-OE2 3.46Å; R128-K170 PolarHBondContact NH1-O 2.94Å; R128-K170 PolarHBondContact NH2-O 2.99Å
129T98.5Very high98.7Very high108 Ų10825.9 Ų25.966%0.66314%0.141SC*.Hα-helixtrans-59.7-40.2178.2-62.40000111.3P125 F126P125-T129 VanDerWaalsContact O-CB 3.23Å; P125-T129 WeakPolarHBondContact O-CB 3.4Å; P125-T129 PolarHBondContact O-N 2.92Å; P125-T129 PolarHBondContact O-OG1 3.41Å; F126-T129 PolarHBondContact O-N 3.02Å
130H98.8Very high98.6Very high41 Ų4127 Ų2719%0.1915%0.148CC..THydrogen-bonded Turntrans-957.3-178.8-63-61.9000114Y77 N81 F126 L127 R128 F132Y77-H130 HydrophobicContact CD2-CB 3.82Å; Y77-H130 AromaticContact CD2-CG 3.73Å; Y77-H130 AromaticContact CD2-ND1 3.94Å; N81-H130 PolarHBondContact ND2-O 3.1Å; F126-H130 AromaticContact CD1-CD2 3.77Å; F126-H130 AromaticContact CE1-CD2 3.58Å; F126-H130 AromaticContact CE2-CD2 3.94Å; F126-H130 AromaticContact CE2-NE2 3.81Å; F126-H130 AromaticContact CZ-CD2 3.68Å; F126-H130 AromaticContact CZ-NE2 3.86Å; F126-H130 PolarHBondContact O-CD2 2.8Å; F126-H130 PolarHBondContact O-N 3.29Å; L127-H130 CarbonylContact O-C 3.56Å; L127-H130 PolarHBondContact O-N 3.38Å; R128-H130 VanDerWaalsContact C-N 3.27Å; R128-H130 PolarHBondContact O-N 3.11Å; H130-F132 HydrophobicContact CB-CD2 3.87Å; H130-F132 HydrophobicContact CB-CE2 3.93Å
131G98.1Very high98.6Very high34 Ų3430.2 Ų30.235%0.35116%0.16SC..THydrogen-bonded Turntrans75.920.8172.300000115.7N81 K84 L127 R128N81-G131 PolarHBondContact OD1-O 2.9Å; K84-G131 PolarHBondContact NZ-O 3.49Å; L127-G131 PolarHBondContact O-N 3.29Å; R128-G131 PolarHBondContact O-N 3.23Å
132F98.8Very high98.5Very high2 Ų224.5 Ų24.51%0.00914%0.136CC..  trans-80.6149.5176.4-72.7-77.8000112.9Y77 L80 L94 L127 H130Y77-F132 AromaticContact CD1-CE2 3.95Å; Y77-F132 HydrophobicContact CD1-CE2 3.95Å; Y77-F132 AromaticContact CD1-CZ 3.67Å; Y77-F132 HydrophobicContact CD1-CZ 3.67Å; Y77-F132 AromaticContact CD2-CE2 3.83Å; Y77-F132 HydrophobicContact CD2-CE2 3.83Å; Y77-F132 HydrophobicContact CD2-CZ 4.4Å; Y77-F132 HydrophobicContact CE1-CE2 4.37Å; Y77-F132 HydrophobicContact CE1-CZ 4.17Å; Y77-F132 HydrophobicContact CE2-CE2 4.24Å; Y77-F132 AromaticContact CG-CE2 3.67Å; Y77-F132 HydrophobicContact CG-CE2 3.67Å; Y77-F132 AromaticContact CG-CZ 3.81Å; Y77-F132 HydrophobicContact CG-CZ 3.81Å; L80-F132 HydrophobicContact CD2-CE1 4.14Å; L94-F132 HydrophobicContact CB-CD1 4.01Å; L94-F132 HydrophobicContact CB-CD2 4.06Å; L94-F132 HydrophobicContact CB-CE1 4.02Å; L94-F132 HydrophobicContact CB-CE2 4.08Å; L94-F132 HydrophobicContact CB-CG 4.03Å; L94-F132 HydrophobicContact CB-CZ 4.06Å; L94-F132 HydrophobicContact CD1-CE1 4.48Å; L94-F132 HydrophobicContact CD1-CE2 4.23Å; L94-F132 HydrophobicContact CD1-CZ 3.94Å; L94-F132 HydrophobicContact CD2-CD2 4.29Å; L94-F132 HydrophobicContact CD2-CE2 4.05Å; L94-F132 HydrophobicContact CG-CE2 4.36Å; L94-F132 HydrophobicContact CG-CZ 4.42Å; L127-F132 HydrophobicContact CB-CB 4.14Å; L127-F132 HydrophobicContact CD2-CB 3.91Å; L127-F132 HydrophobicContact CD2-CD2 4.29Å; L127-F132 HydrophobicContact CD2-CG 4.29Å; L127-F132 PolarHBondContact O-N 2.88Å; H130-F132 HydrophobicContact CB-CD2 3.87Å; H130-F132 HydrophobicContact CB-CE2 3.93Å
133D98.7Very high98.4Very high33 Ų3325.2 Ų25.218%0.17615%0.145CC..SBendtrans-92.6-6.1176.7-58.8-69.9000113.2K84 K91 T92 L172 L173K84-D133 WeakPolarHBondContact CD-OD2 3.17Å; K84-D133 IonicContact NZ-OD1 3.57Å; K84-D133 IonicContact NZ-OD2 2.74Å; K84-D133 PolarHBondContact NZ-OD2 3.28Å; K91-D133 WeakPolarHBondContact CA-OD2 3.23Å; K91-D133 HydrophobicContact CB-CB 4.32Å; K91-D133 HydrophobicContact CD-CB 4.02Å; T92-D133 PolarHBondContact N-OD2 2.87Å; T92-D133 WeakPolarHBondContact O-CA 3.26Å; T92-D133 WeakPolarHBondContact O-CB 3.45Å; T92-D133 PolarHBondContact O-N 2.85Å; T92-D133 PolarHBondContact OG1-OD2 2.89Å; D133-L172 WeakPolarHBondContact O-CA 3.24Å; D133-L173 PolarHBondContact O-N 2.81Å
134G98.9Very high98.4Very high0 Ų035.2 Ų35.20%018%0.183CC..EExtended strand (participates in β ladder)trans177.1-179.8179.300000115.7T92 L93 L94 L173T92-G134 PolarHBondContact O-N 2.82Å; L93-G134 VanDerWaalsContact CA-O 3.32Å; L93-G134 WeakPolarHBondContact CA-O 3.47Å; L94-G134 PolarHBondContact N-O 2.8Å; G134-L173 CarbonylContact C-O 3.08Å; G134-L173 WeakPolarHBondContact CA-O 3.36Å
135L98.9Very high98.3Very high0 Ų043 Ų430%021%0.211CC..EExtended strand (participates in β ladder)trans-114.3140.4176.6-169.477000110.5I66 L94 V96 V123 L127 L137 M157 F161 L173 L174 S175I66-L135 HydrophobicContact CD1-CD1 3.72Å; L94-L135 WeakPolarHBondContact O-CA 3.38Å; L94-L135 WeakPolarHBondContact O-CD1 3.35Å; V96-L135 HydrophobicContact CB-CD1 4.49Å; V96-L135 HydrophobicContact CG1-CD1 3.95Å; V96-L135 HydrophobicContact CG1-CD2 4.25Å; V96-L135 HydrophobicContact CG1-CG 4.27Å; V123-L135 HydrophobicContact CG1-CB 4.39Å; V123-L135 HydrophobicContact CG1-CD1 4.13Å; V123-L135 HydrophobicContact CG1-CD2 4.08Å; V123-L135 HydrophobicContact CG1-CG 4.44Å; V123-L135 HydrophobicContact CG2-CD2 4.39Å; L127-L135 HydrophobicContact CD1-CB 4.05Å; L127-L135 HydrophobicContact CD2-CD1 4.43Å; L135-L137 HydrophobicContact CD2-CD2 3.71Å; L135-L137 HydrophobicContact CD2-CG 4.19Å; L135-M157 HydrophobicContact CD2-CE 3.88Å; L135-M157 HydrophobicContact CD2-CG 4.48Å; L135-M157 HydrophobicContact CD2-SD 4.39Å; L135-F161 HydrophobicContact CB-CE2 4.16Å; L135-F161 HydrophobicContact CB-CZ 3.87Å; L135-L173 PolarHBondContact N-O 2.78Å; L135-L174 HydrophobicContact CB-CD1 4.13Å; L135-L174 HydrophobicContact CD2-CD1 4.2Å; L135-L174 WeakPolarHBondContact O-CA 3.44Å; L135-S175 PolarHBondContact O-N 3.39Å
136D98.9Very high98.3Very high0 Ų040 Ų400%019%0.192CC..EExtended strand (participates in β ladder)trans-112127.1165.8179.963.9000110.5Y27 I55 L94 S95 V96 S175 A176Y27-D136 WeakPolarHBondContact CE1-OD2 3.46Å; Y27-D136 VanDerWaalsContact OH-CG 3.27Å; Y27-D136 PolarHBondContact OH-OD1 3.07Å; Y27-D136 PolarHBondContact OH-OD2 2.75Å; I55-D136 HydrophobicContact CD1-CB 4.18Å; I55-D136 HydrophobicContact CG2-CB 3.85Å; L94-D136 PolarHBondContact O-N 3.28Å; S95-D136 CarbonylContact C-O 3.58Å; S95-D136 VanDerWaalsContact CA-O 3.25Å; S95-D136 WeakPolarHBondContact CA-O 3.21Å; S95-D136 WeakPolarHBondContact CB-OD2 3.45Å; S95-D136 PolarHBondContact OG-O 3.46Å; S95-D136 PolarHBondContact OG-OD2 3.01Å; V96-D136 PolarHBondContact N-O 3.05Å; D136-S175 WeakPolarHBondContact CA-O 3.42Å; D136-S175 WeakPolarHBondContact CA-OG 3.48Å; D136-S175 VanDerWaalsContact CB-OG 3.27Å; D136-S175 WeakPolarHBondContact CB-OG 3.33Å; D136-S175 PolarHBondContact OD1-OG 3.07Å; D136-A176 WeakPolarHBondContact OD1-CA 3.4Å; D136-A176 PolarHBondContact OD1-N 3.4Å
137L98.9Very high98.3Very high1 Ų141.1 Ų41.11%0.00520%0.196CC..EExtended strand (participates in β ladder)trans-92.9111.5178.5-68.7172.2000110.5V96 L135 F150 L153 I154 L174 S175 A176 A177V96-L137 HydrophobicContact CG1-CD2 3.87Å; L135-L137 HydrophobicContact CD2-CD2 3.71Å; L135-L137 HydrophobicContact CD2-CG 4.19Å; L137-F150 HydrophobicContact CB-CE2 4.46Å; L137-F150 HydrophobicContact CD1-CE2 4.49Å; L137-L153 HydrophobicContact CD2-CD2 4.48Å; L137-I154 HydrophobicContact CD1-CG1 3.68Å; L137-L174 HydrophobicContact CD1-CD1 4.17Å; L137-L174 HydrophobicContact CG-CD1 4.3Å; L137-S175 PolarHBondContact N-O 2.77Å; L137-A176 HydrophobicContact CB-CB 4.18Å; L137-A176 VanDerWaalsContact O-CA 3.31Å; L137-A176 WeakPolarHBondContact O-CA 3.35Å; L137-A177 PolarHBondContact O-N 3.38Å
138A98.7Very high98.3Very high3 Ų346.2 Ų46.23%0.02522%0.22CC..EExtended strand (participates in β ladder)trans-111.756.2178.100000111.6F58 S95 V96 G97 G98 L140 A177F58-A138 HydrophobicContact CD1-CB 4.32Å; F58-A138 HydrophobicContact CE1-CB 3.72Å; S95-A138 WeakPolarHBondContact OG-CB 3.48Å; V96-A138 PolarHBondContact O-N 2.67Å; G97-A138 WeakPolarHBondContact CA-O 3.47Å; G98-A138 PolarHBondContact N-O 3.27Å; A138-L140 PolarHBondContact O-N 3.36Å; A138-A177 HydrophobicContact CB-CB 4.35Å
139W98.7Very high98.3Very high1 Ų145.3 Ų45.30%0.00422%0.219CC..  trans-75.3105.6171.1-177.3-5.8000109.4S103 F106 A110 Y141 P142 D146 F150S103-W139 PolarHBondContact O-NE1 3.02Å; F106-W139 HydrophobicContact CB-CB 4.43Å; F106-W139 HydrophobicContact CB-CD2 3.32Å; F106-W139 HydrophobicContact CB-CE3 3.75Å; F106-W139 HydrophobicContact CB-CG 3.62Å; F106-W139 HydrophobicContact CB-CH2 4.17Å; F106-W139 HydrophobicContact CB-CZ2 3.8Å; F106-W139 HydrophobicContact CB-CZ3 4.16Å; F106-W139 HydrophobicContact CD1-CB 4.3Å; F106-W139 HydrophobicContact CD1-CD2 4.24Å; F106-W139 HydrophobicContact CD1-CE3 4.13Å; F106-W139 HydrophobicContact CD1-CG 4.33Å; F106-W139 HydrophobicContact CD2-CB 3.59Å; F106-W139 AromaticContact CD2-CD1 3.79Å; F106-W139 HydrophobicContact CD2-CD2 4.19Å; F106-W139 AromaticContact CD2-CG 3.57Å; F106-W139 HydrophobicContact CD2-CG 3.57Å; F106-W139 HydrophobicContact CE2-CB 3.81Å; F106-W139 HydrophobicContact CE2-CG 4.31Å; F106-W139 HydrophobicContact CG-CB 3.87Å; F106-W139 AromaticContact CG-CD2 3.7Å; F106-W139 HydrophobicContact CG-CD2 3.7Å; F106-W139 HydrophobicContact CG-CE3 4.04Å; F106-W139 AromaticContact CG-CG 3.6Å; F106-W139 HydrophobicContact CG-CG 3.6Å; F106-W139 HydrophobicContact CZ-CB 4.27Å; A110-W139 HydrophobicContact CB-CH2 3.92Å; A110-W139 HydrophobicContact CB-CZ3 3.64Å; W139-Y141 VanDerWaalsContact CD1-C 3.45Å; W139-Y141 PolarHBondContact NE1-O 3.45Å; W139-Y141 WeakPolarHBondContact O-CA 3.47Å; W139-P142 HydrophobicContact CB-CG 4.47Å; W139-P142 HydrophobicContact CD2-CB 4.14Å; W139-P142 HydrophobicContact CD2-CG 3.67Å; W139-P142 HydrophobicContact CE3-CB 4.4Å; W139-P142 HydrophobicContact CE3-CG 3.95Å; W139-P142 HydrophobicContact CG-CG 3.93Å; W139-P142 HydrophobicContact CH2-CB 4.41Å; W139-P142 HydrophobicContact CZ2-CB 4.12Å; W139-P142 WeakPolarHBondContact O-CD 3.48Å; W139-D146 HydrophobicContact CH2-CB 3.51Å; W139-D146 HydrophobicContact CZ2-CB 3.58Å; W139-D146 HydrophobicContact CZ3-CB 4.5Å; W139-F150 HydrophobicContact CB-CE2 4.35Å; W139-F150 HydrophobicContact CE3-CB 4.3Å; W139-F150 AromaticContact CE3-CD2 3.6Å; W139-F150 HydrophobicContact CE3-CD2 3.6Å; W139-F150 HydrophobicContact CE3-CE2 4.31Å; W139-F150 HydrophobicContact CE3-CG 4.29Å; W139-F150 HydrophobicContact CZ3-CB 4.11Å; W139-F150 HydrophobicContact CZ3-CD2 4.17Å
140L97.4Very high98.3Very high25 Ų2540.2 Ų40.213%0.13119%0.188CC..SBendtrans-110.693.2-178.3-48.4-169000111.6A138 M204A138-L140 PolarHBondContact O-N 3.36Å; L140-M204 HydrophobicContact CD1-CE 4.33Å; L140-M204 HydrophobicContact CD2-CE 3.58Å; L140-M204 HydrophobicContact CD2-SD 4.38Å
141Y97.9Very high98.3Very high67 Ų6738.8 Ų38.826%0.26318%0.182SC..  cis-127.7157.4-10.3-57.6-74.3000110.2W99 S103 W139 G143 S179 T184 Y189 M204W99-Y141 HydrophobicContact CZ3-CE2 4.46Å; S103-Y141 WeakPolarHBondContact CB-O 3.24Å; W139-Y141 VanDerWaalsContact CD1-C 3.45Å; W139-Y141 PolarHBondContact NE1-O 3.45Å; W139-Y141 WeakPolarHBondContact O-CA 3.47Å; Y141-G143 PolarHBondContact O-N 3.44Å; Y141-S179 VanDerWaalsContact CE1-CB 3.44Å; Y141-T184 HydrophobicContact CD1-CG2 3.89Å; Y141-T184 HydrophobicContact CD2-CG2 3.89Å; Y141-T184 HydrophobicContact CE1-CG2 4.45Å; Y141-T184 HydrophobicContact CE2-CG2 4.49Å; Y141-T184 HydrophobicContact CG-CG2 3.54Å; Y141-Y189 WeakPolarHBondContact CD1-OH 3.08Å; Y141-M204 HydrophobicContact CE1-CE 3.49Å; Y141-M204 VanDerWaalsContact CE1-CE 3.49Å; Y141-M204 WeakPolarHBondContact OH-CE 3.22Å
142P97.9Very high98.4Very high2 Ų239.2 Ų39.21%0.01318%0.178CC..  trans-56133.6168.7-19.328.6000110.3W139 D146 F150 S188 Y189W139-P142 HydrophobicContact CB-CG 4.47Å; W139-P142 HydrophobicContact CD2-CB 4.14Å; W139-P142 HydrophobicContact CD2-CG 3.67Å; W139-P142 HydrophobicContact CE3-CB 4.4Å; W139-P142 HydrophobicContact CE3-CG 3.95Å; W139-P142 HydrophobicContact CG-CG 3.93Å; W139-P142 HydrophobicContact CH2-CB 4.41Å; W139-P142 HydrophobicContact CZ2-CB 4.12Å; W139-P142 WeakPolarHBondContact O-CD 3.48Å; P142-D146 HydrophobicContact CB-CB 3.81Å; P142-F150 HydrophobicContact CB-CB 4.32Å; P142-F150 HydrophobicContact CG-CB 4.03Å; P142-F150 HydrophobicContact CG-CD1 4.03Å; P142-F150 HydrophobicContact CG-CD2 4.18Å; P142-F150 HydrophobicContact CG-CG 3.83Å; P142-S188 WeakPolarHBondContact O-CB 3.37Å; P142-S188 PolarHBondContact O-OG 2.97Å; P142-Y189 HydrophobicContact CG-CD1 4.46Å; P142-Y189 HydrophobicContact CG-CE1 4.03Å
143G96.8Very high98.4Very high29 Ų2939.1 Ų39.130%0.29918%0.177SC..  trans-72.7173.2169.800000111.8Y141 R145 D146 K147Y141-G143 PolarHBondContact O-N 3.44Å; G143-R145 PolarHBondContact O-N 3.06Å; G143-R145 VanDerWaalsContact O-N 3.15Å; G143-D146 WeakPolarHBondContact CA-OD2 3.46Å; G143-D146 PolarHBondContact N-OD2 3.09Å; G143-D146 WeakPolarHBondContact O-CA 3.37Å; G143-D146 WeakPolarHBondContact O-CB 3.44Å; G143-D146 PolarHBondContact O-N 3.11Å; G143-K147 PolarHBondContact O-N 2.74Å
144R97.3Very high98.4Very high210 Ų21037.5 Ų37.579%0.79217%0.169SC*.THydrogen-bonded Turntrans-52.8-38.6175.7179.5177.8-91.7-124.9-0.7113.2D146 S187R144-D146 VanDerWaalsContact C-N 3.28Å; R144-D146 PolarHBondContact O-N 3.43Å; R144-S187 WeakPolarHBondContact CA-O 3.19Å
145R97Very high98.4Very high168 Ų16843.2 Ų43.263%0.63419%0.194SC*.THydrogen-bonded Turntrans-71.3-23.3176.870.6-178.7-1641755113.3S107 G143S107-R145 PolarHBondContact OG-NH2 3.41Å; G143-R145 PolarHBondContact O-N 3.06Å; G143-R145 VanDerWaalsContact O-N 3.15Å
146D98.5Very high98.4Very high8 Ų845.6 Ų45.64%0.04321%0.205CC..THydrogen-bonded Turntrans-91.5-10.4-174.1-59-54.6000112.7S107 W139 P142 G143 R144 Q148 H149 F150S107-D146 WeakPolarHBondContact CB-OD1 3.49Å; S107-D146 PolarHBondContact OG-OD1 2.93Å; S107-D146 PolarHBondContact OG-OD2 2.87Å; W139-D146 HydrophobicContact CH2-CB 3.51Å; W139-D146 HydrophobicContact CZ2-CB 3.58Å; W139-D146 HydrophobicContact CZ3-CB 4.5Å; P142-D146 HydrophobicContact CB-CB 3.81Å; G143-D146 WeakPolarHBondContact CA-OD2 3.46Å; G143-D146 PolarHBondContact N-OD2 3.09Å; G143-D146 WeakPolarHBondContact O-CA 3.37Å; G143-D146 WeakPolarHBondContact O-CB 3.44Å; G143-D146 PolarHBondContact O-N 3.11Å; R144-D146 VanDerWaalsContact C-N 3.28Å; R144-D146 PolarHBondContact O-N 3.43Å; D146-Q148 VanDerWaalsContact C-N 3.3Å; D146-Q148 PolarHBondContact O-N 3.36Å; D146-H149 CarbonylContact O-C 3.51Å; D146-H149 WeakPolarHBondContact O-CA 3.48Å; D146-H149 WeakPolarHBondContact O-CB 3.35Å; D146-H149 PolarHBondContact O-N 3.14Å; D146-F150 PolarHBondContact O-N 3Å
147K98.6Very high98.4Very high53 Ų5345.6 Ų45.623%0.2321%0.205CC..Hα-helixtrans-49.1-48.2-178.5175.8163.1168.7153.60113G143 F150 T151 D186 S188 Y189G143-K147 PolarHBondContact O-N 2.74Å; K147-F150 PolarHBondContact O-N 2.77Å; K147-T151 PolarHBondContact O-N 3.14Å; K147-T151 PolarHBondContact O-OG1 2.85Å; K147-D186 PolarHBondContact NZ-O 2.75Å; K147-S188 WeakPolarHBondContact CA-O 3.41Å; K147-Y189 VanDerWaalsContact CE-C 3.43Å; K147-Y189 WeakPolarHBondContact CE-O 3.22Å; K147-Y189 PolarHBondContact NZ-O 3.47Å
148Q98.6Very high98.4Very high107 Ų10747.3 Ų47.350%0.521%0.212SC..Hα-helixtrans-74.7-29.6178.9-63.8-57.5-34.300113.2D146 T152D146-Q148 VanDerWaalsContact C-N 3.3Å; D146-Q148 PolarHBondContact O-N 3.36Å; Q148-T152 WeakPolarHBondContact O-CB 3.36Å; Q148-T152 PolarHBondContact O-N 2.89Å; Q148-T152 PolarHBondContact O-OG1 3.16Å
149H98.8Very high98.3Very high60 Ų6050 Ų5028%0.27823%0.234SC..Hα-helixtrans-69.2-37174.2-61.8-46.1000111.4A110 D146 T152 L153A110-H149 HydrophobicContact CB-CB 4.12Å; D146-H149 CarbonylContact O-C 3.51Å; D146-H149 WeakPolarHBondContact O-CA 3.48Å; D146-H149 WeakPolarHBondContact O-CB 3.35Å; D146-H149 PolarHBondContact O-N 3.14Å; H149-T152 PolarHBondContact O-N 2.55Å; H149-L153 WeakPolarHBondContact O-CB 3.35Å; H149-L153 PolarHBondContact O-N 2.97Å
150F98.9Very high98.3Very high1 Ų151.6 Ų51.60%0.00424%0.242CC..Hα-helixtrans-65.7-44.5174.6-172.6-125.5000111.9L137 W139 P142 D146 K147 T152 L153 I154 A176 Y189 I194L137-F150 HydrophobicContact CB-CE2 4.46Å; L137-F150 HydrophobicContact CD1-CE2 4.49Å; W139-F150 HydrophobicContact CB-CE2 4.35Å; W139-F150 HydrophobicContact CE3-CB 4.3Å; W139-F150 AromaticContact CE3-CD2 3.6Å; W139-F150 HydrophobicContact CE3-CD2 3.6Å; W139-F150 HydrophobicContact CE3-CE2 4.31Å; W139-F150 HydrophobicContact CE3-CG 4.29Å; W139-F150 HydrophobicContact CZ3-CB 4.11Å; W139-F150 HydrophobicContact CZ3-CD2 4.17Å; P142-F150 HydrophobicContact CB-CB 4.32Å; P142-F150 HydrophobicContact CG-CB 4.03Å; P142-F150 HydrophobicContact CG-CD1 4.03Å; P142-F150 HydrophobicContact CG-CD2 4.18Å; P142-F150 HydrophobicContact CG-CG 3.83Å; D146-F150 PolarHBondContact O-N 3Å; K147-F150 PolarHBondContact O-N 2.77Å; F150-T152 PolarHBondContact O-N 3.34Å; F150-L153 PolarHBondContact O-N 2.72Å; F150-I154 HydrophobicContact CD1-CD1 3.97Å; F150-I154 HydrophobicContact CD2-CD1 4.23Å; F150-I154 HydrophobicContact CE1-CD1 3.58Å; F150-I154 HydrophobicContact CE2-CD1 3.87Å; F150-I154 HydrophobicContact CE2-CG1 4.31Å; F150-I154 HydrophobicContact CG-CD1 4.29Å; F150-I154 HydrophobicContact CZ-CD1 3.55Å; F150-I154 HydrophobicContact CZ-CG1 4.43Å; F150-I154 WeakPolarHBondContact O-CG1 3.12Å; F150-I154 PolarHBondContact O-N 3.47Å; F150-A176 HydrophobicContact CZ-CB 4.35Å; F150-Y189 AromaticContact CD1-CD1 3.93Å; F150-Y189 HydrophobicContact CD1-CD1 3.93Å; F150-Y189 HydrophobicContact CD1-CE1 4.4Å; F150-Y189 AromaticContact CE1-CD1 3.8Å; F150-Y189 HydrophobicContact CE1-CD1 3.8Å; F150-Y189 HydrophobicContact CE1-CE1 4.03Å; F150-I194 HydrophobicContact CD1-CG2 4.5Å; F150-I194 HydrophobicContact CE1-CD1 4.28Å
151T98.8Very high98.4Very high10 Ų1050.4 Ų50.46%0.06124%0.236CC..Hα-helixtrans-59.2-46.9173.1-580000111.7K147 L153 I154 K155 Q193 I194K147-T151 PolarHBondContact O-N 3.14Å; K147-T151 PolarHBondContact O-OG1 2.85Å; T151-L153 PolarHBondContact O-N 3.07Å; T151-I154 PolarHBondContact O-N 3.02Å; T151-K155 WeakPolarHBondContact O-CB 3.44Å; T151-K155 PolarHBondContact O-N 3.49Å; T151-Q193 HydrophobicContact CG2-CB 3.77Å; T151-I194 HydrophobicContact CG2-CG2 4.45Å
152T98.9Very high98.3Very high43 Ų4349.8 Ų49.826%0.26424%0.244SC..Hα-helixtrans-60.7-45.2177.3-58.40000111.7Q148 H149 F150 I154 K155 E156Q148-T152 WeakPolarHBondContact O-CB 3.36Å; Q148-T152 PolarHBondContact O-N 2.89Å; Q148-T152 PolarHBondContact O-OG1 3.16Å; H149-T152 PolarHBondContact O-N 2.55Å; F150-T152 PolarHBondContact O-N 3.34Å; T152-I154 PolarHBondContact O-N 3.32Å; T152-K155 PolarHBondContact O-N 3.22Å; T152-E156 HydrophobicContact CG2-CG 4.13Å; T152-E156 VanDerWaalsContact CG2-OE1 3.22Å; T152-E156 WeakPolarHBondContact CG2-OE1 3.42Å; T152-E156 WeakPolarHBondContact O-CB 3.33Å; T152-E156 WeakPolarHBondContact O-CG 3.3Å; T152-E156 PolarHBondContact O-N 2.89Å
153L98.9Very high98.2Very high0 Ų056.4 Ų56.40%027%0.273CS..Hα-helixtrans-57.7-48.9177172.763000111.6M109 A110 R116 F119 I120 L137 H149 F150 T151 M157M109-L153 HydrophobicContact CE-CD1 4.35Å; M109-L153 HydrophobicContact CE-CD2 4.08Å; M109-L153 HydrophobicContact SD-CD1 4.45Å; A110-L153 HydrophobicContact CB-CD2 4.46Å; R116-L153 HydrophobicContact CG-CD1 4.02Å; F119-L153 HydrophobicContact CD1-CD1 3.93Å; F119-L153 HydrophobicContact CE1-CD1 4.06Å; I120-L153 HydrophobicContact CD1-CD1 4.17Å; I120-L153 HydrophobicContact CG1-CD1 4.03Å; L137-L153 HydrophobicContact CD2-CD2 4.48Å; H149-L153 WeakPolarHBondContact O-CB 3.35Å; H149-L153 PolarHBondContact O-N 2.97Å; F150-L153 PolarHBondContact O-N 2.72Å; T151-L153 PolarHBondContact O-N 3.07Å; L153-M157 WeakPolarHBondContact O-CB 3.33Å; L153-M157 PolarHBondContact O-N 3.28Å
154I98.9Very high98.1Very high0 Ų056.7 Ų56.70%027%0.266CS..Hα-helixtrans-61.8-46.7179.4-74.2170.5000111L137 F150 T151 T152 M157 K158 L174 I194 H197 L198L137-I154 HydrophobicContact CD1-CG1 3.68Å; F150-I154 HydrophobicContact CD1-CD1 3.97Å; F150-I154 HydrophobicContact CD2-CD1 4.23Å; F150-I154 HydrophobicContact CE1-CD1 3.58Å; F150-I154 HydrophobicContact CE2-CD1 3.87Å; F150-I154 HydrophobicContact CE2-CG1 4.31Å; F150-I154 HydrophobicContact CG-CD1 4.29Å; F150-I154 HydrophobicContact CZ-CD1 3.55Å; F150-I154 HydrophobicContact CZ-CG1 4.43Å; F150-I154 WeakPolarHBondContact O-CG1 3.12Å; F150-I154 PolarHBondContact O-N 3.47Å; T151-I154 PolarHBondContact O-N 3.02Å; T152-I154 PolarHBondContact O-N 3.32Å; I154-M157 PolarHBondContact O-N 2.97Å; I154-K158 WeakPolarHBondContact O-CB 3.24Å; I154-K158 PolarHBondContact O-N 2.99Å; I154-L174 HydrophobicContact CG2-CD2 4.26Å; I154-I194 HydrophobicContact CD1-CB 3.85Å; I154-I194 HydrophobicContact CD1-CG2 3.71Å; I154-H197 HydrophobicContact CG2-CB 3.6Å; I154-L198 HydrophobicContact CD1-CD1 4.19Å; I154-L198 HydrophobicContact CD1-CD2 4.25Å; I154-L198 HydrophobicContact CD1-CG 4.41Å; I154-L198 HydrophobicContact CG1-CD2 4.28Å; I154-L198 HydrophobicContact CG2-CD2 3.79Å; I154-L198 HydrophobicContact CG2-CG 3.93Å
155K98.9Very high97.8Very high119 Ų11948.1 Ų48.152%0.51724%0.24SC..Hα-helixtrans-60.5-50.9-180177.6173.9178.71750111.9T151 T152 K158 A159T151-K155 WeakPolarHBondContact O-CB 3.44Å; T151-K155 PolarHBondContact O-N 3.49Å; T152-K155 PolarHBondContact O-N 3.22Å; K155-K158 PolarHBondContact O-N 3.17Å; K155-A159 PolarHBondContact O-N 3.09Å; K155-A159 VanDerWaalsContact O-N 3.11Å
156E98.9Very high96.9Very high51 Ų5146.4 Ų46.424%0.23824%0.24CC..Hα-helixtrans-68-37.3-178.8-67.9176.7-179.700111.5R116 Q117 I120 T152 A159 E160R116-E156 IonicContact CZ-OE1 2.67Å; R116-E156 IonicContact CZ-OE2 3.51Å; R116-E156 IonicContact NE-OE1 3.3Å; R116-E156 IonicContact NE-OE2 3.88Å; R116-E156 PolarHBondContact NE-OE2 3.37Å; R116-E156 IonicContact NH2-OE1 3.3Å; R116-E156 PolarHBondContact NH2-OE1 3.39Å; R116-E156 IonicContact NH2-OE2 3.18Å; Q117-E156 VanDerWaalsContact NE2-CD 3.32Å; Q117-E156 PolarHBondContact NE2-OE2 2.97Å; I120-E156 HydrophobicContact CD1-CB 3.45Å; I120-E156 VanDerWaalsContact CD1-CB 3.45Å; T152-E156 HydrophobicContact CG2-CG 4.13Å; T152-E156 VanDerWaalsContact CG2-OE1 3.22Å; T152-E156 WeakPolarHBondContact CG2-OE1 3.42Å; T152-E156 WeakPolarHBondContact O-CB 3.33Å; T152-E156 WeakPolarHBondContact O-CG 3.3Å; T152-E156 PolarHBondContact O-N 2.89Å; E156-A159 PolarHBondContact O-N 3.39Å; E156-E160 PolarHBondContact O-N 2.96Å
157M98.9Very high95.7Very high0 Ų052.6 Ų52.60%028%0.281CS..Hα-helixtrans-62.7-45.8174.9-174.166.875.700111.9F119 I120 V123 L135 L153 I154 A159 E160 F161 L174F119-M157 HydrophobicContact CD1-CE 3.91Å; F119-M157 HydrophobicContact CE1-CE 3.46Å; F119-M157 VanDerWaalsContact CE1-CE 3.46Å; F119-M157 HydrophobicContact CZ-CE 4.2Å; I120-M157 HydrophobicContact CB-CE 4.3Å; I120-M157 HydrophobicContact CB-SD 4.48Å; I120-M157 HydrophobicContact CG1-CB 4.47Å; I120-M157 HydrophobicContact CG1-CE 3.79Å; I120-M157 HydrophobicContact CG1-SD 4.32Å; I120-M157 HydrophobicContact CG2-SD 4.21Å; V123-M157 HydrophobicContact CB-CE 4.13Å; V123-M157 HydrophobicContact CB-SD 4.07Å; V123-M157 HydrophobicContact CG1-CE 4.39Å; V123-M157 HydrophobicContact CG1-SD 4.05Å; V123-M157 HydrophobicContact CG2-CE 3.76Å; V123-M157 HydrophobicContact CG2-SD 4.37Å; L135-M157 HydrophobicContact CD2-CE 3.88Å; L135-M157 HydrophobicContact CD2-CG 4.48Å; L135-M157 HydrophobicContact CD2-SD 4.39Å; L153-M157 WeakPolarHBondContact O-CB 3.33Å; L153-M157 PolarHBondContact O-N 3.28Å; I154-M157 PolarHBondContact O-N 2.97Å; M157-A159 VanDerWaalsContact C-N 3.27Å; M157-A159 PolarHBondContact O-N 3.44Å; M157-E160 PolarHBondContact O-N 3.37Å; M157-F161 HydrophobicContact CG-CE1 4.1Å; M157-F161 HydrophobicContact CG-CE2 4.28Å; M157-F161 HydrophobicContact CG-CZ 3.95Å; M157-F161 PolarHBondContact O-N 2.93Å; M157-F161 HydrophobicContact SD-CD1 4.28Å; M157-F161 HydrophobicContact SD-CE1 3.58Å; M157-F161 VanDerWaalsContact SD-CE1 3.58Å; M157-F161 HydrophobicContact SD-CZ 3.83Å; M157-L174 HydrophobicContact CB-CD2 4.03Å; M157-L174 HydrophobicContact CG-CD1 3.76Å; M157-L174 HydrophobicContact CG-CD2 4.02Å
158K98.6Very high94.5Very high36 Ų3654.3 Ų54.316%0.15731%0.313CS..Hα-helixtrans-62.2-37.5177.2-173.659.8163.8-177.90111.7I154 K155 F161 A162 L174 H197 D199I154-K158 WeakPolarHBondContact O-CB 3.24Å; I154-K158 PolarHBondContact O-N 2.99Å; K155-K158 PolarHBondContact O-N 3.17Å; K158-F161 PolarHBondContact O-N 3.06Å; K158-A162 PolarHBondContact O-N 3.22Å; K158-L174 HydrophobicContact CB-CD2 4.02Å; K158-H197 HydrophobicContact CB-CB 4.17Å; K158-H197 VanDerWaalsContact CD-O 3.27Å; K158-H197 WeakPolarHBondContact CD-O 3.29Å; K158-H197 VanDerWaalsContact CE-O 3.32Å; K158-H197 WeakPolarHBondContact CE-O 3.49Å; K158-H197 HydrophobicContact CG-CB 4.38Å; K158-H197 WeakPolarHBondContact CG-O 3.37Å; K158-D199 IonicContact NZ-OD1 2.72Å; K158-D199 PolarHBondContact NZ-OD1 2.79Å; K158-D199 IonicContact NZ-OD2 2.75Å; K158-D199 PolarHBondContact NZ-OD2 3.32Å
159A98.3Very high93.6Very high60 Ų6054.8 Ų54.850%0.49631%0.313SS..Hα-helixtrans-64.9-42.517500000112K155 E156 M157 F161 A162 K163K155-A159 PolarHBondContact O-N 3.09Å; K155-A159 VanDerWaalsContact O-N 3.11Å; E156-A159 PolarHBondContact O-N 3.39Å; M157-A159 VanDerWaalsContact C-N 3.27Å; M157-A159 PolarHBondContact O-N 3.44Å; A159-F161 VanDerWaalsContact C-N 3.33Å; A159-F161 PolarHBondContact O-N 3.08Å; A159-A162 PolarHBondContact O-N 3.45Å; A159-K163 WeakPolarHBondContact O-CB 3.19Å; A159-K163 PolarHBondContact O-N 2.93Å
160E98.4Very high93.3Very high35 Ų3558.9 Ų58.916%0.16433%0.33CS..Hα-helixtrans-65.5-37175.7-168.763.7-155.700111.5I120 P124 E156 M157 A162 K163 E164I120-E160 HydrophobicContact CG2-CB 3.49Å; I120-E160 VanDerWaalsContact CG2-CB 3.49Å; I120-E160 HydrophobicContact CG2-CG 3.86Å; P124-E160 HydrophobicContact CG-CG 4.03Å; E156-E160 PolarHBondContact O-N 2.96Å; M157-E160 PolarHBondContact O-N 3.37Å; E160-A162 PolarHBondContact O-N 3.22Å; E160-K163 PolarHBondContact O-N 3.03Å; E160-K163 IonicContact OE1-NZ 3.37Å; E160-K163 PolarHBondContact OE1-NZ 3.23Å; E160-K163 IonicContact OE2-NZ 2.74Å; E160-K163 PolarHBondContact OE2-NZ 3.39Å; E160-E164 WeakPolarHBondContact O-CB 3.38Å; E160-E164 PolarHBondContact O-N 3.11Å
161F98.3Very high93.2Very high0 Ų062.3 Ų62.30%035%0.347CS..Hα-helixtrans-64.7-39.2174-72.42.4000112.4V123 P124 L127 L135 M157 K158 A159 K163 A165 Q171 L172 L173 L174V123-F161 HydrophobicContact CG1-CE1 3.7Å; V123-F161 HydrophobicContact CG1-CZ 3.74Å; P124-F161 HydrophobicContact CG-CD1 4.08Å; P124-F161 HydrophobicContact CG-CE1 4.05Å; L127-F161 HydrophobicContact CD1-CZ 4.07Å; L135-F161 HydrophobicContact CB-CE2 4.16Å; L135-F161 HydrophobicContact CB-CZ 3.87Å; M157-F161 HydrophobicContact CG-CE1 4.1Å; M157-F161 HydrophobicContact CG-CE2 4.28Å; M157-F161 HydrophobicContact CG-CZ 3.95Å; M157-F161 PolarHBondContact O-N 2.93Å; M157-F161 HydrophobicContact SD-CD1 4.28Å; M157-F161 HydrophobicContact SD-CE1 3.58Å; M157-F161 VanDerWaalsContact SD-CE1 3.58Å; M157-F161 HydrophobicContact SD-CZ 3.83Å; K158-F161 PolarHBondContact O-N 3.06Å; A159-F161 VanDerWaalsContact C-N 3.33Å; A159-F161 PolarHBondContact O-N 3.08Å; F161-K163 VanDerWaalsContact C-N 3.31Å; F161-A165 PolarHBondContact O-N 3.08Å; F161-Q171 HydrophobicContact CB-CG 4.31Å; F161-L172 HydrophobicContact CB-CB 4.25Å; F161-L172 HydrophobicContact CD1-CB 4.13Å; F161-L172 HydrophobicContact CD1-CD1 3.89Å; F161-L172 HydrophobicContact CD2-CB 3.52Å; F161-L172 WeakPolarHBondContact CD2-O 3.38Å; F161-L172 HydrophobicContact CE1-CB 4.36Å; F161-L172 HydrophobicContact CE1-CD1 3.84Å; F161-L172 HydrophobicContact CE2-CB 3.79Å; F161-L172 HydrophobicContact CG-CB 3.71Å; F161-L172 HydrophobicContact CG-CD1 4.33Å; F161-L172 HydrophobicContact CZ-CB 4.19Å; F161-L172 HydrophobicContact CZ-CD1 4.24Å; F161-L173 VanDerWaalsContact CE2-O 3.31Å; F161-L173 WeakPolarHBondContact CE2-O 3.16Å; F161-L174 HydrophobicContact CD2-CB 4.1Å; F161-L174 HydrophobicContact CE2-CB 3.98Å; F161-L174 HydrophobicContact CE2-CD1 4.06Å
162A96.3Very high93.2Very high53 Ų5361.8 Ų61.844%0.43834%0.344SS..Hα-helixtrans-65.1-36.5174.400000111.9K158 A159 E160K158-A162 PolarHBondContact O-N 3.22Å; A159-A162 PolarHBondContact O-N 3.45Å; E160-A162 PolarHBondContact O-N 3.22Å
163K95Very high93.2Very high141 Ų14161.2 Ų61.261%0.61334%0.339SS*.Hα-helixtrans-72.9-37.1177.2177.9-177.5154.7-134.20113.1A159 E160 F161 A165A159-K163 WeakPolarHBondContact O-CB 3.19Å; A159-K163 PolarHBondContact O-N 2.93Å; E160-K163 PolarHBondContact O-N 3.03Å; E160-K163 IonicContact OE1-NZ 3.37Å; E160-K163 PolarHBondContact OE1-NZ 3.23Å; E160-K163 IonicContact OE2-NZ 2.74Å; E160-K163 PolarHBondContact OE2-NZ 3.39Å; F161-K163 VanDerWaalsContact C-N 3.31Å; K163-A165 VanDerWaalsContact C-N 3.28Å; K163-A165 PolarHBondContact O-N 3.37Å
164E95Very high93.2Very high35 Ų3561.2 Ų61.216%0.16434%0.339CS..Hα-helixtrans-67.9-28.8177.1-178-90.1167.900112.6P124 R128 E160 Q166P124-E164 HydrophobicContact CB-CB 4.21Å; P124-E164 HydrophobicContact CB-CG 3.82Å; R128-E164 IonicContact CZ-OE1 3.57Å; R128-E164 IonicContact CZ-OE2 3.52Å; R128-E164 IonicContact NE-OE1 2.82Å; R128-E164 PolarHBondContact NE-OE1 2.82Å; R128-E164 IonicContact NE-OE2 3.44Å; R128-E164 PolarHBondContact NE-OE2 2.83Å; R128-E164 IonicContact NH2-OE1 3.43Å; R128-E164 PolarHBondContact NH2-OE1 3.17Å; R128-E164 IonicContact NH2-OE2 2.77Å; R128-E164 PolarHBondContact NH2-OE2 3.46Å; E160-E164 WeakPolarHBondContact O-CB 3.38Å; E160-E164 PolarHBondContact O-N 3.11Å; E164-Q166 VanDerWaalsContact C-N 3.26Å; E164-Q166 PolarHBondContact O-N 3.23Å
165A91.3Very high93.2Very high30 Ų3061.2 Ų61.225%0.24834%0.339CS..  trans-67.780.2178.800000111.6F161 K163 Q171F161-A165 PolarHBondContact O-N 3.08Å; K163-A165 VanDerWaalsContact C-N 3.28Å; K163-A165 PolarHBondContact O-N 3.37Å; A165-Q171 HydrophobicContact CB-CB 3.87Å; A165-Q171 HydrophobicContact CB-CG 4.19Å
166Q77.9Confident93.2Very high132 Ų13255.6 Ų55.662%0.61731%0.314SS*.  trans-66.4157.4168.5-68.7-174.2200110.9E164 G168 K169E164-Q166 VanDerWaalsContact C-N 3.26Å; E164-Q166 PolarHBondContact O-N 3.23Å; Q166-G168 PolarHBondContact O-N 3.46Å; Q166-G168 VanDerWaalsContact O-N 3.16Å; Q166-K169 PolarHBondContact O-N 3.34Å
167P74.6Confident93.2Very high139 Ų13953.4 Ų53.490%0.90331%0.305SS*.THydrogen-bonded Turntrans-49.9124.2174.6-25.633.8000111.4
168G71.6Confident93.2Very high89 Ų8953.4 Ų53.492%0.91831%0.305SS*.THydrogen-bonded Turntrans97.2-5.7-18000000116.1Q166Q166-G168 PolarHBondContact O-N 3.46Å; Q166-G168 VanDerWaalsContact O-N 3.16Å
169K80.9Confident93.2Very high116 Ų11652.1 Ų52.150%0.50430%0.3SS..SBendtrans-108.6135.6171.6-67.9-176.3-179.5178.30111.4Q166 Q171Q166-K169 PolarHBondContact O-N 3.34Å; K169-Q171 PolarHBondContact O-N 2.9Å
170K92.6Very high93.2Very high146 Ų14649.3 Ų49.364%0.63528%0.278SS*.PPolyproline II helixtrans-69.7126.9171.4-168.5176.8-177.9178.70109.1R128R128-K170 PolarHBondContact NH1-O 2.94Å; R128-K170 PolarHBondContact NH2-O 2.99Å
171Q96.9Very high93.2Very high73 Ų7348.9 Ų48.934%0.34128%0.282SS..PPolyproline II helixtrans-54.4139.9176.5-176.7176.1-18.500111.1F161 A165 K169F161-Q171 HydrophobicContact CB-CG 4.31Å; A165-Q171 HydrophobicContact CB-CB 3.87Å; A165-Q171 HydrophobicContact CB-CG 4.19Å; K169-Q171 PolarHBondContact O-N 2.9Å
172L98.6Very high93.2Very high0 Ų051.3 Ų51.30%029%0.293CS..PPolyproline II helixtrans-62.9140.3174.3-70.2166.9000111P124 L127 D133 F161P124-L172 HydrophobicContact CB-CD1 4Å; L127-L172 HydrophobicContact CB-CD2 4.28Å; L127-L172 HydrophobicContact CD1-CD1 4.1Å; L127-L172 HydrophobicContact CD1-CD2 4.27Å; D133-L172 WeakPolarHBondContact O-CA 3.24Å; F161-L172 HydrophobicContact CB-CB 4.25Å; F161-L172 HydrophobicContact CD1-CB 4.13Å; F161-L172 HydrophobicContact CD1-CD1 3.89Å; F161-L172 HydrophobicContact CD2-CB 3.52Å; F161-L172 WeakPolarHBondContact CD2-O 3.38Å; F161-L172 HydrophobicContact CE1-CB 4.36Å; F161-L172 HydrophobicContact CE1-CD1 3.84Å; F161-L172 HydrophobicContact CE2-CB 3.79Å; F161-L172 HydrophobicContact CG-CB 3.71Å; F161-L172 HydrophobicContact CG-CD1 4.33Å; F161-L172 HydrophobicContact CZ-CB 4.19Å; F161-L172 HydrophobicContact CZ-CD1 4.24Å
173L98.9Very high93.3Very high31 Ų3154.4 Ų54.416%0.16231%0.306CS..EExtended strand (participates in β ladder)trans-78.2145.1173.3-61.2173.2000110.4K91 L93 D133 G134 L135 F161 D199K91-L173 HydrophobicContact CB-CD1 4.36Å; K91-L173 HydrophobicContact CG-CD1 4.42Å; L93-L173 HydrophobicContact CD1-CD1 4.23Å; L93-L173 HydrophobicContact CD2-CB 4.11Å; D133-L173 PolarHBondContact O-N 2.81Å; G134-L173 CarbonylContact C-O 3.08Å; G134-L173 WeakPolarHBondContact CA-O 3.36Å; L135-L173 PolarHBondContact N-O 2.78Å; F161-L173 VanDerWaalsContact CE2-O 3.31Å; F161-L173 WeakPolarHBondContact CE2-O 3.16Å; L173-D199 WeakPolarHBondContact CA-OD2 3.25Å; L173-D199 HydrophobicContact CD2-CB 4.25Å
174L98.9Very high93.5Very high0 Ų049.2 Ų49.20%029%0.286CS..EExtended strand (participates in β ladder)trans-125.3118.5171.4-174.764.9000109.8L135 L137 I154 M157 K158 F161 L198 D199L135-L174 HydrophobicContact CB-CD1 4.13Å; L135-L174 HydrophobicContact CD2-CD1 4.2Å; L135-L174 WeakPolarHBondContact O-CA 3.44Å; L137-L174 HydrophobicContact CD1-CD1 4.17Å; L137-L174 HydrophobicContact CG-CD1 4.3Å; I154-L174 HydrophobicContact CG2-CD2 4.26Å; M157-L174 HydrophobicContact CB-CD2 4.03Å; M157-L174 HydrophobicContact CG-CD1 3.76Å; M157-L174 HydrophobicContact CG-CD2 4.02Å; K158-L174 HydrophobicContact CB-CD2 4.02Å; F161-L174 HydrophobicContact CD2-CB 4.1Å; F161-L174 HydrophobicContact CE2-CB 3.98Å; F161-L174 HydrophobicContact CE2-CD1 4.06Å; L174-L198 HydrophobicContact CD2-CD2 4.05Å; L174-L198 HydrophobicContact CG-CD2 3.77Å; L174-D199 PolarHBondContact N-OD2 2.79Å; L174-D199 PolarHBondContact O-N 2.94Å
175S98.9Very high93.7Very high0 Ų047.6 Ų47.60%028%0.279CS..EExtended strand (participates in β ladder)trans-122.3171.9172.864.70000111.7L135 D136 L137 F200L135-S175 PolarHBondContact O-N 3.39Å; D136-S175 WeakPolarHBondContact CA-O 3.42Å; D136-S175 WeakPolarHBondContact CA-OG 3.48Å; D136-S175 VanDerWaalsContact CB-OG 3.27Å; D136-S175 WeakPolarHBondContact CB-OG 3.33Å; D136-S175 PolarHBondContact OD1-OG 3.07Å; L137-S175 PolarHBondContact N-O 2.77Å; S175-F200 WeakPolarHBondContact CA-O 3.45Å; S175-F200 VanDerWaalsContact CB-CZ 3.41Å; S175-F200 WeakPolarHBondContact CB-O 3.28Å
176A98.9Very high94Very high0 Ų049.1 Ų49.10%028%0.283CS..EExtended strand (participates in β ladder)trans-143.9141.617000000111.3D136 L137 F150 V178 L198 S202D136-A176 WeakPolarHBondContact OD1-CA 3.4Å; D136-A176 PolarHBondContact OD1-N 3.4Å; L137-A176 HydrophobicContact CB-CB 4.18Å; L137-A176 VanDerWaalsContact O-CA 3.31Å; L137-A176 WeakPolarHBondContact O-CA 3.35Å; F150-A176 HydrophobicContact CZ-CB 4.35Å; A176-V178 HydrophobicContact CB-CG1 4.31Å; A176-L198 HydrophobicContact CB-CD1 3.76Å; A176-L198 HydrophobicContact CB-CD2 4.22Å; A176-S202 PolarHBondContact O-N 2.72Å
177A98.9Very high95Very high6 Ų644.2 Ų44.25%0.0526%0.263CS..EExtended strand (participates in β ladder)trans-87.3120.2165.700000109.5L137 A138 S202 M204L137-A177 PolarHBondContact O-N 3.38Å; A138-A177 HydrophobicContact CB-CB 4.35Å; A177-S202 WeakPolarHBondContact CA-O 3.37Å; A177-M204 HydrophobicContact CB-SD 4.28Å
178V98.8Very high96.1Very high0 Ų037.7 Ų37.70%022%0.221CC..EExtended strand (participates in β ladder)trans-121.6149.2-175.8-58.10000111.7A176 Y189 I201 S202 I203 M204 M244A176-V178 HydrophobicContact CB-CG1 4.31Å; V178-Y189 HydrophobicContact CB-CE2 3.95Å; V178-Y189 HydrophobicContact CG1-CE1 4.46Å; V178-I201 HydrophobicContact CB-CG2 4.39Å; V178-I201 HydrophobicContact CG1-CG2 4.05Å; V178-I201 HydrophobicContact CG2-CG2 3.42Å; V178-I201 VanDerWaalsContact CG2-CG2 3.42Å; V178-S202 PolarHBondContact N-O 2.85Å; V178-I203 HydrophobicContact CG2-CB 4.28Å; V178-I203 HydrophobicContact CG2-CG1 4.39Å; V178-M204 WeakPolarHBondContact O-CG 3.46Å; V178-M204 PolarHBondContact O-N 2.78Å; V178-M244 HydrophobicContact CG2-CE 3.8Å
179S98.8Very high97.4Very high8 Ų833.6 Ų33.66%0.05618%0.178CC..EExtended strand (participates in β ladder)trans-61.8145176.4-166.40000111.9Y141 G181 I185 Y189Y141-S179 VanDerWaalsContact CE1-CB 3.44Å; S179-G181 PolarHBondContact OG-N 3.36Å; S179-G181 VanDerWaalsContact OG-N 3.12Å; S179-I185 WeakPolarHBondContact O-CD1 3.48Å; S179-I185 VanDerWaalsContact O-CG1 3.3Å; S179-I185 WeakPolarHBondContact O-CG1 3.36Å; S179-Y189 PolarHBondContact N-OH 3.37Å
180A98.6Very high98.3Very high2 Ų230.2 Ų30.22%0.01717%0.165CC..  trans-88.8-7.9165.800000113.5K182 I203 M204 T205 F208 A240A180-K182 PolarHBondContact O-N 3.49Å; A180-I203 HydrophobicContact CB-CD1 4.14Å; A180-I203 HydrophobicContact CB-CG1 3.99Å; A180-M204 WeakPolarHBondContact CB-O 3.41Å; A180-T205 HydrophobicContact CB-CG2 3.91Å; A180-F208 HydrophobicContact CB-CE1 3.53Å; A180-F208 HydrophobicContact CB-CZ 3.5Å; A180-F208 VanDerWaalsContact CB-CZ 3.5Å; A180-A240 HydrophobicContact CB-CB 3.72Å; A180-A240 WeakPolarHBondContact O-CB 3.37Å
181G98.2Very high98.5Very high26 Ų2623.5 Ų23.527%0.26814%0.136SC..  trans-75.8123-178.400000112S179 V183 T184 I185S179-G181 PolarHBondContact OG-N 3.36Å; S179-G181 VanDerWaalsContact OG-N 3.12Å; G181-V183 VanDerWaalsContact C-N 3.3Å; G181-V183 PolarHBondContact O-N 3.37Å; G181-T184 PolarHBondContact O-N 3.24Å; G181-T184 VanDerWaalsContact O-N 3.1Å; G181-I185 WeakPolarHBondContact O-CG1 3.46Å; G181-I185 PolarHBondContact O-N 3.23Å
182K98.1Very high98.6Very high50 Ų5021.9 Ų21.922%0.21714%0.135CC..Hα-helixtrans-50.3-46-177.2-171.1-169.4-177.2-62.30113.6A180 T184 I185 D186 F234 Y239 Y243A180-K182 PolarHBondContact O-N 3.49Å; K182-T184 VanDerWaalsContact C-N 3.35Å; K182-T184 PolarHBondContact O-N 2.74Å; K182-I185 PolarHBondContact O-N 2.93Å; K182-D186 IonicContact NZ-OD1 3.96Å; K182-D186 IonicContact NZ-OD2 2.63Å; K182-D186 PolarHBondContact NZ-OD2 3.38Å; K182-D186 VanDerWaalsContact O-CG 3.24Å; K182-D186 PolarHBondContact O-N 3.31Å; K182-F234 HydrophobicContact CB-CB 4.18Å; K182-F234 HydrophobicContact CB-CG 4.31Å; K182-F234 HydrophobicContact CD-CD1 3.79Å; K182-F234 HydrophobicContact CD-CD2 4Å; K182-F234 HydrophobicContact CD-CE1 3.74Å; K182-F234 HydrophobicContact CD-CE2 4.01Å; K182-F234 HydrophobicContact CD-CG 3.88Å; K182-F234 HydrophobicContact CD-CZ 3.86Å; K182-Y239 HydrophobicContact CB-CE1 4.18Å; K182-Y239 HydrophobicContact CD-CE1 4.2Å; K182-Y239 WeakPolarHBondContact CD-OH 3.36Å; K182-Y239 VanDerWaalsContact CE-OH 3.26Å; K182-Y239 WeakPolarHBondContact CE-OH 3.49Å; K182-Y239 HydrophobicContact CG-CE1 4.2Å; K182-Y243 HydrophobicContact CG-CD1 4.31Å; K182-Y243 HydrophobicContact CG-CE1 3.79Å; K182-Y243 PolarHBondContact NZ-OH 3.2Å
183V98Very high98.6Very high119 Ų11925.6 Ų25.672%0.72115%0.153SC*.Hα-helixtrans-61.6-44.3-177.7176.80000111.1G181 S187G181-V183 VanDerWaalsContact C-N 3.3Å; G181-V183 PolarHBondContact O-N 3.37Å; V183-S187 WeakPolarHBondContact O-CB 3.45Å; V183-S187 PolarHBondContact O-N 3.38Å; V183-S187 PolarHBondContact O-OG 3.44Å
184T98.6Very high98.6Very high32 Ų3224.1 Ų24.120%0.19615%0.145CC..Hα-helixtrans-65-46.5175.4-52.20000110.2Y141 G181 K182 D186 S187 S188 Y189Y141-T184 HydrophobicContact CD1-CG2 3.89Å; Y141-T184 HydrophobicContact CD2-CG2 3.89Å; Y141-T184 HydrophobicContact CE1-CG2 4.45Å; Y141-T184 HydrophobicContact CE2-CG2 4.49Å; Y141-T184 HydrophobicContact CG-CG2 3.54Å; G181-T184 PolarHBondContact O-N 3.24Å; G181-T184 VanDerWaalsContact O-N 3.1Å; K182-T184 VanDerWaalsContact C-N 3.35Å; K182-T184 PolarHBondContact O-N 2.74Å; T184-D186 VanDerWaalsContact C-N 3.33Å; T184-D186 PolarHBondContact O-N 2.79Å; T184-S187 PolarHBondContact O-N 3.01Å; T184-S187 PolarHBondContact O-OG 2.92Å; T184-S188 WeakPolarHBondContact CG2-OG 3.49Å; T184-S188 WeakPolarHBondContact O-CB 3.31Å; T184-S188 PolarHBondContact O-N 3.09Å; T184-S188 PolarHBondContact O-OG 3.18Å; T184-Y189 HydrophobicContact CG2-CE2 4.36Å
185I98.8Very high98.6Very high1 Ų124.2 Ų24.21%0.00515%0.146CC..Hα-helixtrans-55.2-49.5179-67.2167.5000111.5S179 G181 K182 S187 Y189 I191 Y243 M244 L247S179-I185 WeakPolarHBondContact O-CD1 3.48Å; S179-I185 VanDerWaalsContact O-CG1 3.3Å; S179-I185 WeakPolarHBondContact O-CG1 3.36Å; G181-I185 WeakPolarHBondContact O-CG1 3.46Å; G181-I185 PolarHBondContact O-N 3.23Å; K182-I185 PolarHBondContact O-N 2.93Å; I185-S187 VanDerWaalsContact C-N 3.33Å; I185-S187 PolarHBondContact O-N 2.89Å; I185-Y189 HydrophobicContact CB-CD2 4.25Å; I185-Y189 HydrophobicContact CG1-CD2 4.14Å; I185-Y189 HydrophobicContact CG1-CE2 4.18Å; I185-Y189 HydrophobicContact CG2-CD2 4.42Å; I185-Y189 PolarHBondContact O-N 3.35Å; I185-I191 HydrophobicContact CG2-CD1 4.36Å; I185-I191 HydrophobicContact CG2-CG1 4.17Å; I185-Y243 HydrophobicContact CB-CE1 4.36Å; I185-Y243 HydrophobicContact CD1-CD1 4.2Å; I185-Y243 HydrophobicContact CG2-CD1 4.06Å; I185-Y243 HydrophobicContact CG2-CE1 3.88Å; I185-M244 HydrophobicContact CD1-CG 4.35Å; I185-M244 HydrophobicContact CD1-SD 4.05Å; I185-M244 HydrophobicContact CG1-SD 4.34Å; I185-M244 HydrophobicContact CG2-SD 4.23Å; I185-L247 HydrophobicContact CG2-CD1 3.52Å
186D98.7Very high98.6Very high61 Ų6129.9 Ų29.933%0.32617%0.172SC..Hα-helixtrans-63.3-39.9-177.2-68.2-18.5000112.6K147 K182 T184 Y243K147-D186 PolarHBondContact NZ-O 2.75Å; K182-D186 IonicContact NZ-OD1 3.96Å; K182-D186 IonicContact NZ-OD2 2.63Å; K182-D186 PolarHBondContact NZ-OD2 3.38Å; K182-D186 VanDerWaalsContact O-CG 3.24Å; K182-D186 PolarHBondContact O-N 3.31Å; T184-D186 VanDerWaalsContact C-N 3.33Å; T184-D186 PolarHBondContact O-N 2.79Å; D186-Y243 VanDerWaalsContact OD1-CE1 3.27Å; D186-Y243 WeakPolarHBondContact OD1-CE1 3.37Å; D186-Y243 VanDerWaalsContact OD1-CZ 3.28Å; D186-Y243 PolarHBondContact OD1-OH 2.95Å; D186-Y243 PolarHBondContact OD2-OH 2.81Å
187S98.3Very high98.6Very high29 Ų2931.6 Ų31.620%0.20318%0.18CC..Hα-helixtrans-84.4-34.4-17559.90000113.3R144 V183 T184 I185R144-S187 WeakPolarHBondContact CA-O 3.19Å; V183-S187 WeakPolarHBondContact O-CB 3.45Å; V183-S187 PolarHBondContact O-N 3.38Å; V183-S187 PolarHBondContact O-OG 3.44Å; T184-S187 PolarHBondContact O-N 3.01Å; T184-S187 PolarHBondContact O-OG 2.92Å; I185-S187 VanDerWaalsContact C-N 3.33Å; I185-S187 PolarHBondContact O-N 2.89Å
188S98.5Very high98.6Very high2 Ų231.3 Ų31.31%0.01418%0.178CC..Hα-helixtrans-99.8-27.3-166.6-54.80000114.2P142 K147 T184P142-S188 WeakPolarHBondContact O-CB 3.37Å; P142-S188 PolarHBondContact O-OG 2.97Å; K147-S188 WeakPolarHBondContact CA-O 3.41Å; T184-S188 WeakPolarHBondContact CG2-OG 3.49Å; T184-S188 WeakPolarHBondContact O-CB 3.31Å; T184-S188 PolarHBondContact O-N 3.09Å; T184-S188 PolarHBondContact O-OG 3.18Å
189Y98.8Very high98.6Very high4 Ų433.6 Ų33.62%0.01619%0.19CC..  trans-126.3136-165-45.5-49.4000113.5Y141 P142 K147 F150 V178 S179 T184 I185 I191Y141-Y189 WeakPolarHBondContact CD1-OH 3.08Å; P142-Y189 HydrophobicContact CG-CD1 4.46Å; P142-Y189 HydrophobicContact CG-CE1 4.03Å; K147-Y189 VanDerWaalsContact CE-C 3.43Å; K147-Y189 WeakPolarHBondContact CE-O 3.22Å; K147-Y189 PolarHBondContact NZ-O 3.47Å; F150-Y189 AromaticContact CD1-CD1 3.93Å; F150-Y189 HydrophobicContact CD1-CD1 3.93Å; F150-Y189 HydrophobicContact CD1-CE1 4.4Å; F150-Y189 AromaticContact CE1-CD1 3.8Å; F150-Y189 HydrophobicContact CE1-CD1 3.8Å; F150-Y189 HydrophobicContact CE1-CE1 4.03Å; V178-Y189 HydrophobicContact CB-CE2 3.95Å; V178-Y189 HydrophobicContact CG1-CE1 4.46Å; S179-Y189 PolarHBondContact N-OH 3.37Å; T184-Y189 HydrophobicContact CG2-CE2 4.36Å; I185-Y189 HydrophobicContact CB-CD2 4.25Å; I185-Y189 HydrophobicContact CG1-CD2 4.14Å; I185-Y189 HydrophobicContact CG1-CE2 4.18Å; I185-Y189 HydrophobicContact CG2-CD2 4.42Å; I185-Y189 PolarHBondContact O-N 3.35Å; Y189-I191 VanDerWaalsContact CB-CD1 3.47Å; Y189-I191 HydrophobicContact CD2-CD1 4.07Å; Y189-I191 HydrophobicContact CG-CD1 4.13Å
190D98.6Very high98.6Very high44 Ų4433.3 Ų33.324%0.23519%0.187CC..  trans-95.284.4161.5-165.2-33.1000108.5A192 Q193 I194D190-A192 PolarHBondContact O-N 2.92Å; D190-Q193 HydrophobicContact CB-CB 4.13Å; D190-Q193 HydrophobicContact CB-CG 4.45Å; D190-Q193 PolarHBondContact O-N 2.92Å; D190-Q193 WeakPolarHBondContact OD1-CG 3.35Å; D190-Q193 PolarHBondContact OD1-N 3.17Å; D190-I194 WeakPolarHBondContact O-CG1 3.08Å; D190-I194 WeakPolarHBondContact O-CG2 3.36Å; D190-I194 PolarHBondContact O-N 3.01Å
191I98.8Very high98.6Very high5 Ų533.2 Ų33.23%0.02619%0.187CC..Hα-helixtrans-57.8-45.9-167.1-63.7-57.5000112.4I185 Y189 Q193 I194 S195 M244 L247 A249I185-I191 HydrophobicContact CG2-CD1 4.36Å; I185-I191 HydrophobicContact CG2-CG1 4.17Å; Y189-I191 VanDerWaalsContact CB-CD1 3.47Å; Y189-I191 HydrophobicContact CD2-CD1 4.07Å; Y189-I191 HydrophobicContact CG-CD1 4.13Å; I191-Q193 PolarHBondContact O-N 3.47Å; I191-I194 HydrophobicContact CD1-CD1 4.14Å; I191-S195 WeakPolarHBondContact O-CB 3.4Å; I191-S195 PolarHBondContact O-N 3.31Å; I191-S195 VanDerWaalsContact O-N 3.07Å; I191-S195 PolarHBondContact O-OG 2.99Å; I191-M244 HydrophobicContact CD1-CE 3.55Å; I191-M244 HydrophobicContact CD1-SD 3.44Å; I191-M244 WeakPolarHBondContact CD1-SD 3.28Å; I191-M244 HydrophobicContact CG1-CE 4.46Å; I191-M244 HydrophobicContact CG1-SD 3.97Å; I191-M244 HydrophobicContact CG2-CE 4.33Å; I191-M244 HydrophobicContact CG2-SD 4.47Å; I191-L247 HydrophobicContact CB-CB 3.77Å; I191-L247 HydrophobicContact CG1-CB 3.99Å; I191-L247 HydrophobicContact CG1-CD1 3.91Å; I191-L247 HydrophobicContact CG2-CB 3.91Å; I191-A249 HydrophobicContact CG2-CB 3.71Å
192A98.6Very high98.6Very high40 Ų4032 Ų3233%0.33117%0.174SC..Hα-helixtrans-58.8-50.1178.400000110.9D190 S195 E196 L247D190-A192 PolarHBondContact O-N 2.92Å; A192-S195 PolarHBondContact O-N 3.37Å; A192-E196 PolarHBondContact O-N 3.24Å; A192-L247 PolarHBondContact N-O 2.64Å
193Q98.6Very high98.7Very high78 Ų7829.6 Ų29.636%0.36416%0.164SC..Hα-helixtrans-66.6-45.9-176.9-68.3-65.8-71.600113.1T151 D190 I191 S195 E196 H197T151-Q193 HydrophobicContact CG2-CB 3.77Å; D190-Q193 HydrophobicContact CB-CB 4.13Å; D190-Q193 HydrophobicContact CB-CG 4.45Å; D190-Q193 PolarHBondContact O-N 2.92Å; D190-Q193 WeakPolarHBondContact OD1-CG 3.35Å; D190-Q193 PolarHBondContact OD1-N 3.17Å; I191-Q193 PolarHBondContact O-N 3.47Å; Q193-S195 VanDerWaalsContact C-N 3.27Å; Q193-S195 PolarHBondContact O-N 2.84Å; Q193-E196 PolarHBondContact NE2-OE1 2.73Å; Q193-E196 PolarHBondContact O-N 2.63Å; Q193-H197 PolarHBondContact O-CD2 2.04Å
194I98.8Very high98.7Very high0 Ų024.8 Ų24.80%013%0.134CC..Hα-helixtrans-67.6-32.1-179.768.4-179.8000111.6F150 T151 I154 D190 I191 E196 H197 L198F150-I194 HydrophobicContact CD1-CG2 4.5Å; F150-I194 HydrophobicContact CE1-CD1 4.28Å; T151-I194 HydrophobicContact CG2-CG2 4.45Å; I154-I194 HydrophobicContact CD1-CB 3.85Å; I154-I194 HydrophobicContact CD1-CG2 3.71Å; D190-I194 WeakPolarHBondContact O-CG1 3.08Å; D190-I194 WeakPolarHBondContact O-CG2 3.36Å; D190-I194 PolarHBondContact O-N 3.01Å; I191-I194 HydrophobicContact CD1-CD1 4.14Å; I194-E196 PolarHBondContact O-N 2.88Å; I194-H197 PolarHBondContact O-N 3.22Å; I194-L198 HydrophobicContact CB-CD1 4.33Å; I194-L198 HydrophobicContact CG1-CD1 4.4Å; I194-L198 WeakPolarHBondContact O-CG 3.42Å; I194-L198 PolarHBondContact O-N 3.48Å; I194-L198 VanDerWaalsContact O-N 3.09Å
195S98.6Very high98.7Very high2 Ų223.3 Ų23.31%0.01412%0.124CC..Hα-helixtrans-67.2-23.6-179.2-62.60000113.4I191 A192 Q193 H197 I201 A249 K253I191-S195 WeakPolarHBondContact O-CB 3.4Å; I191-S195 PolarHBondContact O-N 3.31Å; I191-S195 VanDerWaalsContact O-N 3.07Å; I191-S195 PolarHBondContact O-OG 2.99Å; A192-S195 PolarHBondContact O-N 3.37Å; Q193-S195 VanDerWaalsContact C-N 3.27Å; Q193-S195 PolarHBondContact O-N 2.84Å; S195-H197 VanDerWaalsContact C-N 3.3Å; S195-I201 VanDerWaalsContact OG-CD1 3.28Å; S195-I201 WeakPolarHBondContact OG-CD1 3.37Å; S195-A249 WeakPolarHBondContact OG-CA 3.4Å; S195-K253 VanDerWaalsContact O-CD 3.3Å; S195-K253 WeakPolarHBondContact O-CD 3.5Å; S195-K253 PolarHBondContact O-NZ 2.92Å
196E98.6Very high98.7Very high119 Ų11924 Ų2456%0.55613%0.127SC*.Hα-helixtrans-65.6-37.1174.5-68.8176.4-156.200111.4A192 Q193 I194 K253A192-E196 PolarHBondContact O-N 3.24Å; Q193-E196 PolarHBondContact NE2-OE1 2.73Å; Q193-E196 PolarHBondContact O-N 2.63Å; I194-E196 PolarHBondContact O-N 2.88Å; E196-K253 PolarHBondContact O-NZ 3.22Å
197H98.8Very high98.7Very high36 Ų3624.1 Ų24.117%0.16713%0.128CC..Hα-helixtrans-97.3-28.2-169.8-61.3-46.6000114.2I154 K158 Q193 I194 S195I154-H197 HydrophobicContact CG2-CB 3.6Å; K158-H197 HydrophobicContact CB-CB 4.17Å; K158-H197 VanDerWaalsContact CD-O 3.27Å; K158-H197 WeakPolarHBondContact CD-O 3.29Å; K158-H197 VanDerWaalsContact CE-O 3.32Å; K158-H197 WeakPolarHBondContact CE-O 3.49Å; K158-H197 HydrophobicContact CG-CB 4.38Å; K158-H197 WeakPolarHBondContact CG-O 3.37Å; Q193-H197 PolarHBondContact O-CD2 2.04Å; I194-H197 PolarHBondContact O-N 3.22Å; S195-H197 VanDerWaalsContact C-N 3.3Å
198L98.9Very high98.7Very high0 Ų023.5 Ų23.50%012%0.121CC..  trans-76.5141.9176.9-64175.1000111.3I154 L174 A176 I194 I201 K253I154-L198 HydrophobicContact CD1-CD1 4.19Å; I154-L198 HydrophobicContact CD1-CD2 4.25Å; I154-L198 HydrophobicContact CD1-CG 4.41Å; I154-L198 HydrophobicContact CG1-CD2 4.28Å; I154-L198 HydrophobicContact CG2-CD2 3.79Å; I154-L198 HydrophobicContact CG2-CG 3.93Å; L174-L198 HydrophobicContact CD2-CD2 4.05Å; L174-L198 HydrophobicContact CG-CD2 3.77Å; A176-L198 HydrophobicContact CB-CD1 3.76Å; A176-L198 HydrophobicContact CB-CD2 4.22Å; I194-L198 HydrophobicContact CB-CD1 4.33Å; I194-L198 HydrophobicContact CG1-CD1 4.4Å; I194-L198 WeakPolarHBondContact O-CG 3.42Å; I194-L198 PolarHBondContact O-N 3.48Å; I194-L198 VanDerWaalsContact O-N 3.09Å; L198-I201 HydrophobicContact CB-CG1 4.29Å; L198-I201 HydrophobicContact CD1-CD1 4.24Å; L198-I201 HydrophobicContact CD1-CG1 3.72Å; L198-K253 WeakPolarHBondContact O-CD 3.3Å; L198-K253 VanDerWaalsContact O-CE 3.31Å; L198-K253 WeakPolarHBondContact O-CE 3.4Å; L198-K253 PolarHBondContact O-NZ 3.2Å
199D98.8Very high98.6Very high48 Ų4824.1 Ų24.126%0.25712%0.124SC..SBendtrans-75.6-34.1173.3-65.3-64000111.3K158 L173 L174K158-D199 IonicContact NZ-OD1 2.72Å; K158-D199 PolarHBondContact NZ-OD1 2.79Å; K158-D199 IonicContact NZ-OD2 2.75Å; K158-D199 PolarHBondContact NZ-OD2 3.32Å; L173-D199 WeakPolarHBondContact CA-OD2 3.25Å; L173-D199 HydrophobicContact CD2-CB 4.25Å; L174-D199 PolarHBondContact N-OD2 2.79Å; L174-D199 PolarHBondContact O-N 2.94Å
200F98.9Very high98.3Very high1 Ų124 Ų240%0.00412%0.124CC..EExtended strand (participates in β ladder)trans-158163167.762.9-90.7000111.4K23 V25 I55 L93 S175 K253 V255K23-F200 HydrophobicContact CD-CB 4.45Å; K23-F200 HydrophobicContact CD-CD1 4.25Å; K23-F200 HydrophobicContact CD-CG 4.36Å; V25-F200 HydrophobicContact CG1-CE2 4.02Å; V25-F200 HydrophobicContact CG1-CZ 4.3Å; V25-F200 HydrophobicContact CG2-CE2 4.08Å; V25-F200 HydrophobicContact CG2-CZ 4.35Å; I55-F200 HydrophobicContact CD1-CE2 4.38Å; I55-F200 HydrophobicContact CD1-CZ 4.33Å; L93-F200 HydrophobicContact CD2-CE1 4.3Å; L93-F200 HydrophobicContact CD2-CZ 4.06Å; S175-F200 WeakPolarHBondContact CA-O 3.45Å; S175-F200 VanDerWaalsContact CB-CZ 3.41Å; S175-F200 WeakPolarHBondContact CB-O 3.28Å; F200-K253 CarbonylContact C-O 3.52Å; F200-K253 VanDerWaalsContact CA-O 3.24Å; F200-K253 WeakPolarHBondContact CA-O 3.25Å; F200-K253 WeakPolarHBondContact CB-O 3.34Å; F200-V255 HydrophobicContact CB-CG2 3.95Å; F200-V255 HydrophobicContact CD2-CG2 3.91Å; F200-V255 HydrophobicContact CG-CG2 4.22Å
201I98.9Very high98.2Very high0 Ų023.5 Ų23.50%013%0.126CC..EExtended strand (participates in β ladder)trans-123.3120.4-178.3-59.9173.6000108.2V178 S195 L198 M244 K253 L254 V255V178-I201 HydrophobicContact CB-CG2 4.39Å; V178-I201 HydrophobicContact CG1-CG2 4.05Å; V178-I201 HydrophobicContact CG2-CG2 3.42Å; V178-I201 VanDerWaalsContact CG2-CG2 3.42Å; S195-I201 VanDerWaalsContact OG-CD1 3.28Å; S195-I201 WeakPolarHBondContact OG-CD1 3.37Å; L198-I201 HydrophobicContact CB-CG1 4.29Å; L198-I201 HydrophobicContact CD1-CD1 4.24Å; L198-I201 HydrophobicContact CD1-CG1 3.72Å; I201-M244 HydrophobicContact CG2-CE 4.07Å; I201-K253 PolarHBondContact N-O 2.91Å; I201-L254 HydrophobicContact CB-CD1 4.18Å; I201-L254 HydrophobicContact CG2-CD1 4.08Å; I201-V255 PolarHBondContact O-N 3.39Å
202S98.9Very high98Very high0 Ų031.8 Ų31.80%016%0.157CC..EExtended strand (participates in β ladder)trans-88.9104.3172.3-65.80000109A176 A177 V178A176-S202 PolarHBondContact O-N 2.72Å; A177-S202 WeakPolarHBondContact CA-O 3.37Å; V178-S202 PolarHBondContact N-O 2.85Å
203I98.9Very high97.7Very high0 Ų034 Ų340%016%0.157CC..EExtended strand (participates in β ladder)trans-83.3123175.1-171.4-175.3000109.6V178 A180 T205 A240 M244 L254 V255 G257V178-I203 HydrophobicContact CG2-CB 4.28Å; V178-I203 HydrophobicContact CG2-CG1 4.39Å; A180-I203 HydrophobicContact CB-CD1 4.14Å; A180-I203 HydrophobicContact CB-CG1 3.99Å; I203-T205 VanDerWaalsContact C-N 3.29Å; I203-T205 HydrophobicContact CD1-CG2 3.82Å; I203-T205 HydrophobicContact CG1-CG2 3.99Å; I203-T205 HydrophobicContact CG2-CG2 4.01Å; I203-T205 PolarHBondContact O-N 2.8Å; I203-A240 HydrophobicContact CD1-CB 3.83Å; I203-M244 HydrophobicContact CD1-CG 3.64Å; I203-M244 HydrophobicContact CG1-CG 4.5Å; I203-L254 HydrophobicContact CB-CD1 4.06Å; I203-L254 HydrophobicContact CG2-CD1 4Å; I203-L254 HydrophobicContact CG2-CG 4.25Å; I203-V255 WeakPolarHBondContact CG2-O 3.28Å; I203-V255 PolarHBondContact N-O 2.93Å; I203-G257 VanDerWaalsContact O-CA 3.3Å; I203-G257 WeakPolarHBondContact O-CA 3.33Å; I203-G257 PolarHBondContact O-N 3.28Å
204M98.8Very high97.6Very high19 Ų1932.4 Ų32.49%0.09416%0.162CC..EExtended strand (participates in β ladder)trans-81.172.4-177.9-60.7-173.2-67.400111L140 Y141 A177 V178 A180 Y206 M350L140-M204 HydrophobicContact CD1-CE 4.33Å; L140-M204 HydrophobicContact CD2-CE 3.58Å; L140-M204 HydrophobicContact CD2-SD 4.38Å; Y141-M204 HydrophobicContact CE1-CE 3.49Å; Y141-M204 VanDerWaalsContact CE1-CE 3.49Å; Y141-M204 WeakPolarHBondContact OH-CE 3.22Å; A177-M204 HydrophobicContact CB-SD 4.28Å; V178-M204 WeakPolarHBondContact O-CG 3.46Å; V178-M204 PolarHBondContact O-N 2.78Å; A180-M204 WeakPolarHBondContact CB-O 3.41Å; M204-Y206 HydrophobicContact CB-CD2 4.47Å; M204-Y206 HydrophobicContact CB-CE1 4.25Å; M204-Y206 HydrophobicContact CB-CE2 3.86Å; M204-Y206 HydrophobicContact CG-CE2 4.29Å; M204-Y206 WeakPolarHBondContact CG-OH 3.17Å; M204-Y206 PolarHBondContact O-N 3.12Å; M204-M350 HydrophobicContact CG-CE 4.07Å
205T98.9Very high97.4Very high0 Ų033.9 Ų33.90%017%0.172CC..  trans-76.348.9-179.1370000113.2A180 I203 F208 S220 T237 A240 V241 G257A180-T205 HydrophobicContact CB-CG2 3.91Å; I203-T205 VanDerWaalsContact C-N 3.29Å; I203-T205 HydrophobicContact CD1-CG2 3.82Å; I203-T205 HydrophobicContact CG1-CG2 3.99Å; I203-T205 HydrophobicContact CG2-CG2 4.01Å; I203-T205 PolarHBondContact O-N 2.8Å; T205-F208 VanDerWaalsContact C-CE2 3.44Å; T205-F208 HydrophobicContact CG2-CZ 4.22Å; T205-F208 WeakPolarHBondContact O-CE2 3.44Å; T205-S220 PolarHBondContact O-OG 3.25Å; T205-T237 HydrophobicContact CG2-CG2 3.98Å; T205-A240 HydrophobicContact CG2-CB 4.06Å; T205-V241 HydrophobicContact CG2-CG2 4.34Å; T205-G257 WeakPolarHBondContact OG1-CA 3.33Å; T205-G257 PolarHBondContact OG1-N 3.02Å; T205-G257 VanDerWaalsContact OG1-N 3.14Å; T205-G257 PolarHBondContact OG1-O 3.49Å
206Y98.8Very high97.3Very high16 Ų1633.8 Ų33.86%0.06317%0.172CC..  trans-147.8176.717644.5-102.6000108.9M204 F208 H219 P259 F261 M350 W352M204-Y206 HydrophobicContact CB-CD2 4.47Å; M204-Y206 HydrophobicContact CB-CE1 4.25Å; M204-Y206 HydrophobicContact CB-CE2 3.86Å; M204-Y206 HydrophobicContact CG-CE2 4.29Å; M204-Y206 WeakPolarHBondContact CG-OH 3.17Å; M204-Y206 PolarHBondContact O-N 3.12Å; Y206-F208 PolarHBondContact O-N 2.72Å; Y206-H219 CarbonylContact C-O 3.59Å; Y206-H219 WeakPolarHBondContact CA-O 2.94Å; Y206-P259 HydrophobicContact CD1-CB 4.29Å; Y206-P259 HydrophobicContact CG-CB 4.26Å; Y206-F261 HydrophobicContact CD2-CE1 4.27Å; Y206-F261 HydrophobicContact CD2-CZ 4.1Å; Y206-M350 HydrophobicContact CE1-CE 3.84Å; Y206-M350 HydrophobicContact CE1-SD 4.17Å; Y206-M350 WeakPolarHBondContact OH-CE 3.46Å; Y206-W352 HydrophobicContact CE1-CB 3.9Å; Y206-W352 HydrophobicContact CE2-CB 4.41Å; Y206-W352 HydrophobicContact CE2-CG 4.42Å; Y206-W352 WeakPolarHBondContact OH-CB 3.44Å
207D98.2Very high97.2Very high64 Ų6428.3 Ų28.334%0.34215%0.147SC..  trans58.328.8-173.2-63.5-32.2000114.4H209 H219 K263D207-H209 PolarHBondContact O-N 2.98Å; D207-H219 PolarHBondContact N-O 3.41Å; D207-H219 IonicContact OD1-ND1 3.94Å; D207-K263 WeakPolarHBondContact OD1-CE 3.45Å
208F97.9Very high97.2Very high15 Ų1526.9 Ų26.97%0.06614%0.141CC..SBendtrans-66.5-27.9173.6-71.7-60.3000113.1A180 T205 Y206 H219 N236 A240A180-F208 HydrophobicContact CB-CE1 3.53Å; A180-F208 HydrophobicContact CB-CZ 3.5Å; A180-F208 VanDerWaalsContact CB-CZ 3.5Å; T205-F208 VanDerWaalsContact C-CE2 3.44Å; T205-F208 HydrophobicContact CG2-CZ 4.22Å; T205-F208 WeakPolarHBondContact O-CE2 3.44Å; Y206-F208 PolarHBondContact O-N 2.72Å; F208-H219 WeakPolarHBondContact CB-O 3.49Å; F208-H219 VanDerWaalsContact CD2-O 3.31Å; F208-H219 WeakPolarHBondContact CD2-O 3.32Å; F208-H219 PolarHBondContact N-O 3.06Å; F208-N236 VanDerWaalsContact CZ-C 3.5Å; F208-N236 WeakPolarHBondContact CZ-O 3.4Å; F208-A240 HydrophobicContact CE1-CB 4.38Å; F208-A240 HydrophobicContact CZ-CB 4.03Å
209H96.5Very high97.2Very high15 Ų1526.9 Ų26.97%0.06914%0.141CC..SBendtrans-136.5139.8-178.5-151.5103.8000110.1D207 R213 S215 G217 H218 H219D207-H209 PolarHBondContact O-N 2.98Å; H209-R213 WeakPolarHBondContact CE1-CD 3.41Å; H209-R213 WeakPolarHBondContact ND1-CD 3.49Å; H209-S215 PolarHBondContact NE2-O 2.91Å; H209-G217 VanDerWaalsContact CD2-CA 3.49Å; H209-G217 WeakPolarHBondContact CD2-CA 3.26Å; H209-H218 WeakPolarHBondContact CB-O 3.5Å; H209-H219 WeakPolarHBondContact O-CB 3.28Å
210G92.9Very high97.1Very high2 Ų224.6 Ų24.62%0.02113%0.128CC..  trans-161180179.100000110.8W212 R213G210-W212 PolarHBondContact O-N 3.41Å; G210-R213 PolarHBondContact O-N 2.79Å
211A95.1Very high97.1Very high34 Ų3424.7 Ų24.728%0.28113%0.129SC..G310 helixtrans-62.7-21.4-164.400000113.3R213 G214 F265 I278 P281A211-R213 PolarHBondContact O-N 2.78Å; A211-R213 VanDerWaalsContact O-N 3.09Å; A211-G214 PolarHBondContact O-N 2.92Å; A211-G214 VanDerWaalsContact O-N 3.09Å; A211-F265 HydrophobicContact CB-CD1 4.28Å; A211-F265 HydrophobicContact CB-CE1 4.35Å; A211-I278 HydrophobicContact CB-CD1 4.21Å; A211-P281 HydrophobicContact CB-CB 4.16Å
212W94.8Very high97.1Very high179 Ų17924.9 Ų24.968%0.67813%0.13SC*.G310 helixtrans-61.2-13.8175.161.585.9000114.4G210G210-W212 PolarHBondContact O-N 3.41Å
213R93.4Very high97Very high85 Ų8528.2 Ų28.232%0.32115%0.145SC..G310 helixtrans-87.7-7.7175.6-71.3-170.8167.7-131.3-0.7114.4H209 G210 A211 S215 D232 S235H209-R213 WeakPolarHBondContact CE1-CD 3.41Å; H209-R213 WeakPolarHBondContact ND1-CD 3.49Å; G210-R213 PolarHBondContact O-N 2.79Å; A211-R213 PolarHBondContact O-N 2.78Å; A211-R213 VanDerWaalsContact O-N 3.09Å; R213-S215 PolarHBondContact O-N 3.4Å; R213-D232 IonicContact CZ-OD2 3.58Å; R213-D232 IonicContact NH1-OD2 3.54Å; R213-D232 IonicContact NH2-OD2 2.72Å; R213-D232 PolarHBondContact NH2-OD2 2.86Å; R213-S235 PolarHBondContact NH2-OG 2.82Å
214G95.4Very high96.7Very high45 Ų4533.1 Ų33.146%0.46416%0.163SC..SBendtrans68.810.1176.200000115.6A211 I278A211-G214 PolarHBondContact O-N 2.92Å; A211-G214 VanDerWaalsContact O-N 3.09Å; G214-I278 VanDerWaalsContact C-CG1 3.49Å
215S95.7Very high96Very high31 Ų3133.1 Ų33.122%0.21717%0.168CC..BIsolated β-bridgetrans-147.9158.5176.749.60000110.9H209 R213 A276H209-S215 PolarHBondContact NE2-O 2.91Å; R213-S215 PolarHBondContact O-N 3.4Å; S215-A276 CarbonylContact C-O 3.58Å; S215-A276 VanDerWaalsContact CA-O 3.24Å; S215-A276 WeakPolarHBondContact CA-O 3.48Å
216T97Very high94.7Very high1 Ų142.3 Ų42.31%0.00621%0.211CC..  trans-64.8145.3172.559.10000110.6F265 L267 G273 G275 A276 I278 W325T216-F265 HydrophobicContact CG2-CB 4.29Å; T216-F265 HydrophobicContact CG2-CD2 3.99Å; T216-F265 HydrophobicContact CG2-CG 4.36Å; T216-L267 HydrophobicContact CG2-CD2 3.5Å; T216-G273 PolarHBondContact OG1-O 3.28Å; T216-G275 WeakPolarHBondContact O-CA 3.47Å; T216-G275 PolarHBondContact O-N 3.32Å; T216-G275 PolarHBondContact OG1-N 3.47Å; T216-A276 HydrophobicContact CG2-CB 4.22Å; T216-A276 PolarHBondContact N-O 3.01Å; T216-A276 PolarHBondContact OG1-N 3.46Å; T216-I278 HydrophobicContact CG2-CG2 3.56Å; T216-W325 HydrophobicContact CG2-CB 4.12Å; T216-W325 HydrophobicContact CG2-CD2 3.96Å; T216-W325 HydrophobicContact CG2-CG 3.75Å
217G96Very high92.9Very high4 Ų446.7 Ų46.74%0.04123%0.232CC..  trans-172.6144.6175.300000109.9H209 F265H209-G217 VanDerWaalsContact CD2-CA 3.49Å; H209-G217 WeakPolarHBondContact CD2-CA 3.26Å; G217-F265 WeakPolarHBondContact O-CE2 3.44Å
218H97.8Very high91.1Very high6 Ų645.2 Ų45.23%0.02822%0.224CC..  trans-70.4136.5-179.8-162.7-83.8000110.3H209 S220 P221 I311 V316 P317 Y328H209-H218 WeakPolarHBondContact CB-O 3.5Å; H218-S220 VanDerWaalsContact ND1-C 3.25Å; H218-S220 PolarHBondContact ND1-N 3.27Å; H218-P221 HydrophobicContact CB-CB 4.44Å; H218-P221 WeakPolarHBondContact O-CD 3.33Å; H218-I311 HydrophobicContact CB-CD1 3.91Å; H218-V316 HydrophobicContact CB-CG2 4.21Å; H218-P317 PolarHBondContact CD2-O 2.85Å; H218-P317 PolarHBondContact NE2-O 2.88Å; H218-Y328 PolarHBondContact NE2-N 2.89Å; H218-Y328 PolarHBondContact NE2-O 3.48Å
219H98.5Very high89.2Confident0 Ų049.4 Ų49.40%026%0.261CS..SBendtrans-86-16-175.578.9122000114.2Y206 D207 F208 H209 F261 K263 G327Y206-H219 CarbonylContact C-O 3.59Å; Y206-H219 WeakPolarHBondContact CA-O 2.94Å; D207-H219 PolarHBondContact N-O 3.41Å; D207-H219 IonicContact OD1-ND1 3.94Å; F208-H219 WeakPolarHBondContact CB-O 3.49Å; F208-H219 VanDerWaalsContact CD2-O 3.31Å; F208-H219 WeakPolarHBondContact CD2-O 3.32Å; F208-H219 PolarHBondContact N-O 3.06Å; H209-H219 WeakPolarHBondContact O-CB 3.28Å; H219-F261 AromaticContact CE1-CD2 3.89Å; H219-F261 AromaticContact CE1-CE2 3.45Å; H219-F261 VanDerWaalsContact CE1-CE2 3.45Å; H219-F261 WeakPolarHBondContact CE1-CE2 3.24Å; H219-F261 AromaticContact CE1-CZ 3.65Å; H219-F261 PolarHBondContact CE1-O 3.33Å; H219-F261 AromaticContact ND1-CE2 3.66Å; H219-F261 AromaticContact ND1-CZ 3.86Å; H219-F261 PolarHBondContact NE2-O 3.48Å; H219-K263 HydrophobicContact CB-CB 3.84Å; H219-K263 HydrophobicContact CB-CG 3.62Å; H219-G327 PolarHBondContact CD2-O 3.28Å; H219-G327 VanDerWaalsContact CD2-O 3.31Å
220S98.6Very high87.8Confident0 Ų049.9 Ų49.90%027%0.267CS..SBendtrans-136.752.5177.1-170.80000112.9T205 H218 K337T205-S220 PolarHBondContact O-OG 3.25Å; H218-S220 VanDerWaalsContact ND1-C 3.25Å; H218-S220 PolarHBondContact ND1-N 3.27Å; S220-K337 WeakPolarHBondContact O-CE 3.35Å; S220-K337 PolarHBondContact O-NZ 3.47Å; S220-K337 PolarHBondContact OG-NZ 3.04Å
221P98.1Very high86.6Confident3 Ų355.7 Ų55.72%0.01930%0.304CS..  trans-66.8141.7178.531.3-35.6000110.3H218 N236 T237 Q314 V316H218-P221 HydrophobicContact CB-CB 4.44Å; H218-P221 WeakPolarHBondContact O-CD 3.33Å; P221-N236 HydrophobicContact CG-CB 4.08Å; P221-T237 WeakPolarHBondContact O-CB 3.4Å; P221-T237 PolarHBondContact O-N 3.45Å; P221-T237 PolarHBondContact O-OG1 3.21Å; P221-Q314 HydrophobicContact CB-CB 3.85Å; P221-Q314 HydrophobicContact CB-CG 4.02Å; P221-V316 HydrophobicContact CB-CG2 4.41Å
222L98.5Very high86.1Confident4 Ų455.5 Ų55.52%0.02130%0.298CS..SBendtrans-69.4-50.6179.1179.452.6000110.4T237 D238 Q314 Q315 K337 Y340L222-T237 HydrophobicContact CD1-CG2 4.02Å; L222-T237 WeakPolarHBondContact O-CB 3.37Å; L222-T237 PolarHBondContact O-N 3.02Å; L222-D238 WeakPolarHBondContact O-CB 3.34Å; L222-D238 PolarHBondContact O-N 3.17Å; L222-Q314 WeakPolarHBondContact CB-O 3.48Å; L222-Q314 PolarHBondContact N-O 2.96Å; L222-Q315 HydrophobicContact CB-CB 4.15Å; L222-Q315 HydrophobicContact CD2-CB 4.11Å; L222-Q315 HydrophobicContact CD2-CG 4.33Å; L222-K337 HydrophobicContact CD1-CG 4.23Å; L222-K337 HydrophobicContact CD2-CG 4.48Å; L222-Y340 HydrophobicContact CD1-CD1 3.75Å; L222-Y340 HydrophobicContact CD1-CD2 4.17Å; L222-Y340 HydrophobicContact CD1-CE1 4.27Å; L222-Y340 HydrophobicContact CD1-CG 3.71Å; L222-Y340 HydrophobicContact CD2-CG 4.48Å
223F97.2Very high85.9Confident70 Ų7054 Ų5431%0.30729%0.292SS..SBendtrans-119.7170174.3-49.7-79.1000110.1G225 D238 G313 Q314 Q315 Y340F223-G225 VanDerWaalsContact C-N 3.3Å; F223-G225 PolarHBondContact O-N 2.65Å; F223-D238 HydrophobicContact CD1-CB 3.5Å; F223-D238 HydrophobicContact CE1-CB 3.89Å; F223-D238 HydrophobicContact CG-CB 4.5Å; F223-G313 WeakPolarHBondContact CB-O 3.19Å; F223-Q314 WeakPolarHBondContact O-CG 3.38Å; F223-Q315 HydrophobicContact CD2-CG 3.92Å; F223-Q315 HydrophobicContact CE2-CG 3.95Å; F223-Y340 HydrophobicContact CE1-CD2 4.05Å; F223-Y340 AromaticContact CE1-CE2 4Å; F223-Y340 HydrophobicContact CE1-CE2 4Å; F223-Y340 AromaticContact CZ-CD2 3.99Å; F223-Y340 HydrophobicContact CZ-CD2 3.99Å; F223-Y340 HydrophobicContact CZ-CE2 4.41Å
224R92.4Very high86Confident102 Ų10252.9 Ų52.939%0.38529%0.29SS..  trans-56.3-40.3178.4-173.7-175.7179.2-164.2-3.7113.5S230 Q314R224-S230 PolarHBondContact NH2-O 3.24Å; R224-Q314 PolarHBondContact O-NE2 2.95Å
225G83.9Confident86Confident19 Ų1951.9 Ų51.920%0.19628%0.275CS..  trans72.8165.8-170.500000113.7F223 G313F223-G225 VanDerWaalsContact C-N 3.3Å; F223-G225 PolarHBondContact O-N 2.65Å; G225-G313 WeakPolarHBondContact CA-O 3.41Å; G225-G313 PolarHBondContact N-O 2.83Å
226Q72.6Confident86.1Confident193 Ų19350.6 Ų50.690%0.90227%0.266SS*.SBendtrans-91-25.1176-76-175.7-17.300112.9D228Q226-D228 PolarHBondContact O-N 3.35Å
227E61.1Low86.2Confident109 Ų10950.6 Ų50.651%0.50927%0.266SS..SBendtrans-75-10-179.6-66.4-170.4167.500113.5A229E227-A229 PolarHBondContact O-N 3.22Å
228D60.8Low86.4Confident32 Ų3252.3 Ų52.317%0.17128%0.275CS..  trans-78.494.4177.3-153.5-10.8000109.5Q226 S230Q226-D228 PolarHBondContact O-N 3.35Å; D228-S230 PolarHBondContact O-N 3.16Å; D228-S230 WeakPolarHBondContact OD1-CB 3.25Å; D228-S230 PolarHBondContact OD1-N 3.39Å
229A57.7Low86.4Confident103 Ų10353.5 Ų53.585%0.85128%0.279SS*.  trans-62.5-7.1172.200000112.4E227E227-A229 PolarHBondContact O-N 3.22Å
230S65.9Low86.4Confident26 Ų2653.6 Ų53.618%0.18228%0.279CS..  trans-66.3133176.5-163.90000112.1R224 D228 D232R224-S230 PolarHBondContact NH2-O 3.24Å; D228-S230 PolarHBondContact O-N 3.16Å; D228-S230 WeakPolarHBondContact OD1-CB 3.25Å; D228-S230 PolarHBondContact OD1-N 3.39Å; S230-D232 PolarHBondContact O-N 3.11Å; S230-D232 WeakPolarHBondContact OG-CB 3.46Å; S230-D232 PolarHBondContact OG-N 3.3Å
231P68.9Low86.4Confident123 Ų12353.6 Ų53.680%0.79928%0.279SS*.SBendtrans-67.6-11.2168.629.4-34.3000112.3R233P231-R233 PolarHBondContact O-N 2.82Å; P231-R233 VanDerWaalsContact O-N 3.08Å
232D84.4Confident86.5Confident30 Ų3054.1 Ų54.116%0.1629%0.285CS..  trans-73.198.4178.2-176.46.4000111.9R213 S230 F234 S235R213-D232 IonicContact CZ-OD2 3.58Å; R213-D232 IonicContact NH1-OD2 3.54Å; R213-D232 IonicContact NH2-OD2 2.72Å; R213-D232 PolarHBondContact NH2-OD2 2.86Å; S230-D232 PolarHBondContact O-N 3.11Å; S230-D232 WeakPolarHBondContact OG-CB 3.46Å; S230-D232 PolarHBondContact OG-N 3.3Å; D232-F234 VanDerWaalsContact C-N 3.27Å; D232-F234 PolarHBondContact O-N 2.88Å; D232-F234 WeakPolarHBondContact OD1-CA 3.5Å; D232-F234 VanDerWaalsContact OD1-CB 3.3Å; D232-F234 WeakPolarHBondContact OD1-CB 3.23Å; D232-F234 WeakPolarHBondContact OD1-CD2 3.46Å; D232-F234 PolarHBondContact OD1-N 3.1Å; D232-S235 PolarHBondContact OD1-N 3.25Å; D232-S235 WeakPolarHBondContact OD2-CB 3.49Å; D232-S235 PolarHBondContact OD2-OG 3.12Å
233R89.8Confident86.5Confident149 Ų14955.4 Ų55.456%0.56229%0.29SS*.  trans-80.6-2.3175.671.1-177.7-173.1169.73.1114.3P231 N236P231-R233 PolarHBondContact O-N 2.82Å; P231-R233 VanDerWaalsContact O-N 3.08Å; R233-N236 PolarHBondContact O-ND2 2.85Å
234F95.4Very high86.6Confident61 Ų6152.1 Ų52.127%0.26828%0.276SS..  trans-98-24-167.6-48.8-53.2000113.8K182 D232 N236 Y239K182-F234 HydrophobicContact CB-CB 4.18Å; K182-F234 HydrophobicContact CB-CG 4.31Å; K182-F234 HydrophobicContact CD-CD1 3.79Å; K182-F234 HydrophobicContact CD-CD2 4Å; K182-F234 HydrophobicContact CD-CE1 3.74Å; K182-F234 HydrophobicContact CD-CE2 4.01Å; K182-F234 HydrophobicContact CD-CG 3.88Å; K182-F234 HydrophobicContact CD-CZ 3.86Å; D232-F234 VanDerWaalsContact C-N 3.27Å; D232-F234 PolarHBondContact O-N 2.88Å; D232-F234 WeakPolarHBondContact OD1-CA 3.5Å; D232-F234 VanDerWaalsContact OD1-CB 3.3Å; D232-F234 WeakPolarHBondContact OD1-CB 3.23Å; D232-F234 WeakPolarHBondContact OD1-CD2 3.46Å; D232-F234 PolarHBondContact OD1-N 3.1Å; F234-N236 PolarHBondContact O-N 2.65Å; F234-Y239 HydrophobicContact CB-CD1 3.85Å; F234-Y239 HydrophobicContact CB-CE1 3.86Å; F234-Y239 HydrophobicContact CB-CG 4.46Å; F234-Y239 HydrophobicContact CD1-CD1 4.03Å; F234-Y239 HydrophobicContact CD1-CD2 4.02Å; F234-Y239 AromaticContact CD1-CE1 3.51Å; F234-Y239 HydrophobicContact CD1-CE1 3.51Å; F234-Y239 AromaticContact CD1-CE2 3.47Å; F234-Y239 HydrophobicContact CD1-CE2 3.47Å; F234-Y239 VanDerWaalsContact CD1-CE2 3.47Å; F234-Y239 HydrophobicContact CD1-CG 4.29Å; F234-Y239 AromaticContact CD1-CZ 3.2Å; F234-Y239 WeakPolarHBondContact CD1-OH 3.34Å; F234-Y239 HydrophobicContact CE1-CE1 4.39Å; F234-Y239 AromaticContact CE1-CE2 3.88Å; F234-Y239 HydrophobicContact CE1-CE2 3.88Å; F234-Y239 AromaticContact CE1-CZ 3.69Å; F234-Y239 HydrophobicContact CG-CD1 4.44Å; F234-Y239 HydrophobicContact CG-CE1 4.06Å; F234-Y239 WeakPolarHBondContact O-CD1 3.48Å
235S96.5Very high86.9Confident23 Ų2349.5 Ų49.516%0.16127%0.269CS..SBendtrans-81.958.5-172.7-69.70000113.2R213 D232R213-S235 PolarHBondContact NH2-OG 2.82Å; D232-S235 PolarHBondContact OD1-N 3.25Å; D232-S235 WeakPolarHBondContact OD2-CB 3.49Å; D232-S235 PolarHBondContact OD2-OG 3.12Å
236N98.1Very high87.6Confident5 Ų556.6 Ų56.63%0.02729%0.29CS..SBendtrans-153.6160.1174.66087.4000111.8F208 P221 R233 F234 Y239 A240F208-N236 VanDerWaalsContact CZ-C 3.5Å; F208-N236 WeakPolarHBondContact CZ-O 3.4Å; P221-N236 HydrophobicContact CG-CB 4.08Å; R233-N236 PolarHBondContact O-ND2 2.85Å; F234-N236 PolarHBondContact O-N 2.65Å; N236-Y239 PolarHBondContact O-N 3.33Å; N236-Y239 WeakPolarHBondContact OD1-CB 3.35Å; N236-Y239 PolarHBondContact OD1-N 3.09Å; N236-A240 PolarHBondContact O-N 3.05Å; N236-A240 VanDerWaalsContact O-N 3.14Å
237T98.8Very high88.8Confident0 Ų050.4 Ų50.40%026%0.263CS..Hα-helixtrans-61.5-47.2-175-560000112.2T205 P221 L222 Y239 A240 V241 M256T205-T237 HydrophobicContact CG2-CG2 3.98Å; P221-T237 WeakPolarHBondContact O-CB 3.4Å; P221-T237 PolarHBondContact O-N 3.45Å; P221-T237 PolarHBondContact O-OG1 3.21Å; L222-T237 HydrophobicContact CD1-CG2 4.02Å; L222-T237 WeakPolarHBondContact O-CB 3.37Å; L222-T237 PolarHBondContact O-N 3.02Å; T237-Y239 PolarHBondContact O-N 3.39Å; T237-A240 PolarHBondContact O-N 2.99Å; T237-V241 HydrophobicContact CG2-CG2 4.35Å; T237-V241 WeakPolarHBondContact O-CB 3.36Å; T237-V241 WeakPolarHBondContact O-CG2 3.4Å; T237-V241 PolarHBondContact O-N 3.03Å; T237-M256 HydrophobicContact CG2-CE 4.29Å; T237-M256 HydrophobicContact CG2-CG 3.96Å; T237-M256 HydrophobicContact CG2-SD 3.38Å; T237-M256 WeakPolarHBondContact CG2-SD 3.34Å
238D98.7Very high90.6Very high41 Ų4147 Ų4722%0.21926%0.258CS..Hα-helixtrans-59.1-48.4-179.2172.374.2000112L222 F223 A240 G242 Y340 R344L222-D238 WeakPolarHBondContact O-CB 3.34Å; L222-D238 PolarHBondContact O-N 3.17Å; F223-D238 HydrophobicContact CD1-CB 3.5Å; F223-D238 HydrophobicContact CE1-CB 3.89Å; F223-D238 HydrophobicContact CG-CB 4.5Å; D238-A240 PolarHBondContact O-N 3.21Å; D238-G242 PolarHBondContact O-N 3.06Å; D238-Y340 WeakPolarHBondContact CA-OH 3.27Å; D238-Y340 HydrophobicContact CB-CE2 4.22Å; D238-Y340 WeakPolarHBondContact OD1-CE2 3.4Å; D238-Y340 PolarHBondContact OD1-OH 3.35Å; D238-R344 IonicContact OD1-CZ 3.17Å; D238-R344 IonicContact OD1-NE 3.84Å; D238-R344 IonicContact OD1-NH2 3.74Å; D238-R344 PolarHBondContact OD1-NH2 3.12Å
239Y98.6Very high92.4Very high31 Ų3145.8 Ų45.812%0.12225%0.252CS..Hα-helixtrans-60.2-49.1177.7-179.3-87.6000111.4K182 F234 N236 T237 G242 Y243K182-Y239 HydrophobicContact CB-CE1 4.18Å; K182-Y239 HydrophobicContact CD-CE1 4.2Å; K182-Y239 WeakPolarHBondContact CD-OH 3.36Å; K182-Y239 VanDerWaalsContact CE-OH 3.26Å; K182-Y239 WeakPolarHBondContact CE-OH 3.49Å; K182-Y239 HydrophobicContact CG-CE1 4.2Å; F234-Y239 HydrophobicContact CB-CD1 3.85Å; F234-Y239 HydrophobicContact CB-CE1 3.86Å; F234-Y239 HydrophobicContact CB-CG 4.46Å; F234-Y239 HydrophobicContact CD1-CD1 4.03Å; F234-Y239 HydrophobicContact CD1-CD2 4.02Å; F234-Y239 AromaticContact CD1-CE1 3.51Å; F234-Y239 HydrophobicContact CD1-CE1 3.51Å; F234-Y239 AromaticContact CD1-CE2 3.47Å; F234-Y239 HydrophobicContact CD1-CE2 3.47Å; F234-Y239 VanDerWaalsContact CD1-CE2 3.47Å; F234-Y239 HydrophobicContact CD1-CG 4.29Å; F234-Y239 AromaticContact CD1-CZ 3.2Å; F234-Y239 WeakPolarHBondContact CD1-OH 3.34Å; F234-Y239 HydrophobicContact CE1-CE1 4.39Å; F234-Y239 AromaticContact CE1-CE2 3.88Å; F234-Y239 HydrophobicContact CE1-CE2 3.88Å; F234-Y239 AromaticContact CE1-CZ 3.69Å; F234-Y239 HydrophobicContact CG-CD1 4.44Å; F234-Y239 HydrophobicContact CG-CE1 4.06Å; F234-Y239 WeakPolarHBondContact O-CD1 3.48Å; N236-Y239 PolarHBondContact O-N 3.33Å; N236-Y239 WeakPolarHBondContact OD1-CB 3.35Å; N236-Y239 PolarHBondContact OD1-N 3.09Å; T237-Y239 PolarHBondContact O-N 3.39Å; Y239-G242 PolarHBondContact O-N 2.72Å; Y239-Y243 HydrophobicContact CE1-CD1 4.43Å; Y239-Y243 HydrophobicContact CE1-CD2 4.37Å; Y239-Y243 HydrophobicContact CE1-CG 4.02Å; Y239-Y243 WeakPolarHBondContact O-CB 3.27Å; Y239-Y243 PolarHBondContact O-N 3.3Å
240A98.9Very high94.4Very high1 Ų143.3 Ų43.31%0.00823%0.227CC..Hα-helixtrans-63.1-45.5-176.300000112A180 I203 T205 F208 N236 T237 D238 Y243 M244A180-A240 HydrophobicContact CB-CB 3.72Å; A180-A240 WeakPolarHBondContact O-CB 3.37Å; I203-A240 HydrophobicContact CD1-CB 3.83Å; T205-A240 HydrophobicContact CG2-CB 4.06Å; F208-A240 HydrophobicContact CE1-CB 4.38Å; F208-A240 HydrophobicContact CZ-CB 4.03Å; N236-A240 PolarHBondContact O-N 3.05Å; N236-A240 VanDerWaalsContact O-N 3.14Å; T237-A240 PolarHBondContact O-N 2.99Å; D238-A240 PolarHBondContact O-N 3.21Å; A240-Y243 PolarHBondContact O-N 3.01Å; A240-M244 WeakPolarHBondContact O-CG 3.36Å; A240-M244 PolarHBondContact O-N 3.24Å
241V98.9Very high95.9Very high0 Ų043.4 Ų43.40%023%0.23CC..Hα-helixtrans-60.2-54.2174.3167.60000110.3T205 T237 Y243 M244 L245 L254 M256 Y340 L346T205-V241 HydrophobicContact CG2-CG2 4.34Å; T237-V241 HydrophobicContact CG2-CG2 4.35Å; T237-V241 WeakPolarHBondContact O-CB 3.36Å; T237-V241 WeakPolarHBondContact O-CG2 3.4Å; T237-V241 PolarHBondContact O-N 3.03Å; V241-Y243 PolarHBondContact O-N 3.1Å; V241-M244 PolarHBondContact O-N 3.37Å; V241-L245 HydrophobicContact CG1-CD1 4.16Å; V241-L245 WeakPolarHBondContact O-CG 3.36Å; V241-L245 PolarHBondContact O-N 3.49Å; V241-L254 HydrophobicContact CG1-CD2 4.22Å; V241-M256 HydrophobicContact CG2-CG 4.08Å; V241-M256 HydrophobicContact CG2-SD 4.06Å; V241-Y340 HydrophobicContact CB-CE1 4.43Å; V241-Y340 HydrophobicContact CG1-CE1 4.32Å; V241-Y340 HydrophobicContact CG2-CE1 4.39Å; V241-L346 HydrophobicContact CG1-CD1 3.79Å; V241-L346 HydrophobicContact CG1-CD2 4.05Å; V241-L346 HydrophobicContact CG1-CG 4.49Å; V241-L346 HydrophobicContact CG2-CD1 4.26Å
242G98.9Very high97.3Very high14 Ų1441.4 Ų41.414%0.14422%0.218CC..Hα-helixtrans-60.9-30.8-179.900000113D238 Y239 R246D238-G242 PolarHBondContact O-N 3.06Å; Y239-G242 PolarHBondContact O-N 2.72Å; G242-R246 VanDerWaalsContact O-CG 3.31Å; G242-R246 WeakPolarHBondContact O-CG 3.5Å; G242-R246 PolarHBondContact O-N 3.37Å; G242-R246 VanDerWaalsContact O-N 3.13Å; G242-R246 PolarHBondContact O-NE 2.67Å
243Y98.9Very high98Very high32 Ų3242.3 Ų42.313%0.12522%0.221CC..Hα-helixtrans-70.8-46.9175.6-165.1-121.5000112.4K182 I185 D186 Y239 A240 V241 L245 R246 L247K182-Y243 HydrophobicContact CG-CD1 4.31Å; K182-Y243 HydrophobicContact CG-CE1 3.79Å; K182-Y243 PolarHBondContact NZ-OH 3.2Å; I185-Y243 HydrophobicContact CB-CE1 4.36Å; I185-Y243 HydrophobicContact CD1-CD1 4.2Å; I185-Y243 HydrophobicContact CG2-CD1 4.06Å; I185-Y243 HydrophobicContact CG2-CE1 3.88Å; D186-Y243 VanDerWaalsContact OD1-CE1 3.27Å; D186-Y243 WeakPolarHBondContact OD1-CE1 3.37Å; D186-Y243 VanDerWaalsContact OD1-CZ 3.28Å; D186-Y243 PolarHBondContact OD1-OH 2.95Å; D186-Y243 PolarHBondContact OD2-OH 2.81Å; Y239-Y243 HydrophobicContact CE1-CD1 4.43Å; Y239-Y243 HydrophobicContact CE1-CD2 4.37Å; Y239-Y243 HydrophobicContact CE1-CG 4.02Å; Y239-Y243 WeakPolarHBondContact O-CB 3.27Å; Y239-Y243 PolarHBondContact O-N 3.3Å; A240-Y243 PolarHBondContact O-N 3.01Å; V241-Y243 PolarHBondContact O-N 3.1Å; Y243-L245 VanDerWaalsContact C-N 3.31Å; Y243-L245 PolarHBondContact O-N 3.5Å; Y243-R246 PolarHBondContact O-N 2.93Å; Y243-L247 HydrophobicContact CD1-CD1 3.86Å; Y243-L247 HydrophobicContact CE1-CD1 3.54Å; Y243-L247 HydrophobicContact CE1-CG 4.33Å; Y243-L247 HydrophobicContact CE2-CG 4.49Å; Y243-L247 HydrophobicContact CG-CD1 4.48Å; Y243-L247 WeakPolarHBondContact O-CG 3.38Å; Y243-L247 PolarHBondContact O-N 2.97Å
244M98.9Very high98.5Very high0 Ų035.2 Ų35.20%019%0.194CC..Hα-helixtrans-57.8-43.3175.1-72.6-70.7-73.600112.1V178 I185 I191 I201 I203 A240 V241 L247 G248 A249 L254V178-M244 HydrophobicContact CG2-CE 3.8Å; I185-M244 HydrophobicContact CD1-CG 4.35Å; I185-M244 HydrophobicContact CD1-SD 4.05Å; I185-M244 HydrophobicContact CG1-SD 4.34Å; I185-M244 HydrophobicContact CG2-SD 4.23Å; I191-M244 HydrophobicContact CD1-CE 3.55Å; I191-M244 HydrophobicContact CD1-SD 3.44Å; I191-M244 WeakPolarHBondContact CD1-SD 3.28Å; I191-M244 HydrophobicContact CG1-CE 4.46Å; I191-M244 HydrophobicContact CG1-SD 3.97Å; I191-M244 HydrophobicContact CG2-CE 4.33Å; I191-M244 HydrophobicContact CG2-SD 4.47Å; I201-M244 HydrophobicContact CG2-CE 4.07Å; I203-M244 HydrophobicContact CD1-CG 3.64Å; I203-M244 HydrophobicContact CG1-CG 4.5Å; A240-M244 WeakPolarHBondContact O-CG 3.36Å; A240-M244 PolarHBondContact O-N 3.24Å; V241-M244 PolarHBondContact O-N 3.37Å; M244-L247 PolarHBondContact O-N 2.89Å; M244-G248 PolarHBondContact O-N 2.63Å; M244-A249 HydrophobicContact CB-CB 4.32Å; M244-A249 WeakPolarHBondContact O-CB 3.44Å; M244-A249 PolarHBondContact O-N 3.36Å; M244-A249 VanDerWaalsContact O-N 3.1Å; M244-L254 HydrophobicContact CB-CD1 4.37Å; M244-L254 HydrophobicContact CB-CD2 3.98Å; M244-L254 HydrophobicContact CE-CD1 4.15Å
245L98.9Very high98.6Very high47 Ų4732.3 Ų32.325%0.24618%0.181CC..Hα-helixtrans-61.4-45.4176.3-63.7177.5000111.7V241 Y243 L247 G248 A249 A251 L254 L346V241-L245 HydrophobicContact CG1-CD1 4.16Å; V241-L245 WeakPolarHBondContact O-CG 3.36Å; V241-L245 PolarHBondContact O-N 3.49Å; Y243-L245 VanDerWaalsContact C-N 3.31Å; Y243-L245 PolarHBondContact O-N 3.5Å; L245-L247 VanDerWaalsContact C-N 3.25Å; L245-L247 PolarHBondContact O-N 3.2Å; L245-G248 PolarHBondContact O-N 3.47Å; L245-G248 VanDerWaalsContact O-N 3.09Å; L245-A249 WeakPolarHBondContact CD2-O 3.48Å; L245-A251 HydrophobicContact CD2-CB 3.87Å; L245-L254 HydrophobicContact CD2-CD2 4.03Å; L245-L254 HydrophobicContact CG-CD2 4.29Å; L245-L346 HydrophobicContact CD1-CD2 4.31Å; L245-L346 HydrophobicContact CD2-CD2 4.34Å
246R98.8Very high98.7Very high168 Ų16831.2 Ų31.263%0.63417%0.174SC*.Hα-helixtrans-64-28.5176.8-76.6-178-61.5-150.4-2.5113.5G242 Y243 G248G242-R246 VanDerWaalsContact O-CG 3.31Å; G242-R246 WeakPolarHBondContact O-CG 3.5Å; G242-R246 PolarHBondContact O-N 3.37Å; G242-R246 VanDerWaalsContact O-N 3.13Å; G242-R246 PolarHBondContact O-NE 2.67Å; Y243-R246 PolarHBondContact O-N 2.93Å; R246-G248 PolarHBondContact O-N 2.64Å
247L98.8Very high98.8Very high63 Ų6331 Ų3133%0.3317%0.172SC..THydrogen-bonded Turntrans-82.91.8176.6-67.3-179.8000113.5I185 I191 A192 Y243 M244 L245I185-L247 HydrophobicContact CG2-CD1 3.52Å; I191-L247 HydrophobicContact CB-CB 3.77Å; I191-L247 HydrophobicContact CG1-CB 3.99Å; I191-L247 HydrophobicContact CG1-CD1 3.91Å; I191-L247 HydrophobicContact CG2-CB 3.91Å; A192-L247 PolarHBondContact N-O 2.64Å; Y243-L247 HydrophobicContact CD1-CD1 3.86Å; Y243-L247 HydrophobicContact CE1-CD1 3.54Å; Y243-L247 HydrophobicContact CE1-CG 4.33Å; Y243-L247 HydrophobicContact CE2-CG 4.49Å; Y243-L247 HydrophobicContact CG-CD1 4.48Å; Y243-L247 WeakPolarHBondContact O-CG 3.38Å; Y243-L247 PolarHBondContact O-N 2.97Å; M244-L247 PolarHBondContact O-N 2.89Å; L245-L247 VanDerWaalsContact C-N 3.25Å; L245-L247 PolarHBondContact O-N 3.2Å
248G98.5Very high98.8Very high39 Ų3931 Ų3140%0.40217%0.172SC..THydrogen-bonded Turntrans104.29.417200000115.4M244 L245 R246 P250M244-G248 PolarHBondContact O-N 2.63Å; L245-G248 PolarHBondContact O-N 3.47Å; L245-G248 VanDerWaalsContact O-N 3.09Å; R246-G248 PolarHBondContact O-N 2.64Å; G248-P250 WeakPolarHBondContact O-CD 3.31Å
249A98.8Very high98.8Very high6 Ų629 Ų295%0.0516%0.162CC..  trans-71.2122.9170.200000109.9I191 S195 M244 L245 A251I191-A249 HydrophobicContact CG2-CB 3.71Å; S195-A249 WeakPolarHBondContact OG-CA 3.4Å; M244-A249 HydrophobicContact CB-CB 4.32Å; M244-A249 WeakPolarHBondContact O-CB 3.44Å; M244-A249 PolarHBondContact O-N 3.36Å; M244-A249 VanDerWaalsContact O-N 3.1Å; L245-A249 WeakPolarHBondContact CD2-O 3.48Å; A249-A251 PolarHBondContact O-N 2.78Å
250P98.8Very high98.8Very high51 Ų5127.6 Ų27.633%0.33116%0.156SC..  trans-63.3134.4173-21.433.8000110.8G248 S252 K253 L254G248-P250 WeakPolarHBondContact O-CD 3.31Å; P250-S252 PolarHBondContact O-N 2.95Å; P250-K253 HydrophobicContact CB-CB 4.41Å; P250-K253 HydrophobicContact CB-CG 4.38Å; P250-K253 HydrophobicContact CG-CD 4.35Å; P250-K253 PolarHBondContact O-N 2.91Å; P250-L254 PolarHBondContact O-N 2.85Å
251A98.7Very high98.8Very high28 Ų2828 Ų2823%0.23116%0.158CC..G310 helixtrans-55.3-39.8177.300000111.7L245 A249 K253 L254 Q345 L346 A347L245-A251 HydrophobicContact CD2-CB 3.87Å; A249-A251 PolarHBondContact O-N 2.78Å; A251-K253 PolarHBondContact O-N 2.67Å; A251-K253 VanDerWaalsContact O-N 3.08Å; A251-L254 PolarHBondContact O-N 3.14Å; A251-Q345 WeakPolarHBondContact CB-O 3.19Å; A251-L346 HydrophobicContact CB-CD2 4.19Å; A251-L346 CarbonylContact O-C 3.58Å; A251-L346 WeakPolarHBondContact O-CA 3.32Å; A251-A347 PolarHBondContact O-N 2.91Å
252S98.5Very high98.8Very high80 Ų8028 Ų2856%0.55916%0.158SC*.G310 helixtrans-64.8-8.9176.359.20000115.6P250 A347P250-S252 PolarHBondContact O-N 2.95Å; S252-A347 WeakPolarHBondContact O-CB 3.11Å
253K98.8Very high98.8Very high50 Ų5028.9 Ų28.922%0.21716%0.158CC..G310 helixtrans-110-13.8172.5-70-168.1175.4-168.90113.4S195 E196 L198 F200 I201 P250 A251S195-K253 VanDerWaalsContact O-CD 3.3Å; S195-K253 WeakPolarHBondContact O-CD 3.5Å; S195-K253 PolarHBondContact O-NZ 2.92Å; E196-K253 PolarHBondContact O-NZ 3.22Å; L198-K253 WeakPolarHBondContact O-CD 3.3Å; L198-K253 VanDerWaalsContact O-CE 3.31Å; L198-K253 WeakPolarHBondContact O-CE 3.4Å; L198-K253 PolarHBondContact O-NZ 3.2Å; F200-K253 CarbonylContact C-O 3.52Å; F200-K253 VanDerWaalsContact CA-O 3.24Å; F200-K253 WeakPolarHBondContact CA-O 3.25Å; F200-K253 WeakPolarHBondContact CB-O 3.34Å; I201-K253 PolarHBondContact N-O 2.91Å; P250-K253 HydrophobicContact CB-CB 4.41Å; P250-K253 HydrophobicContact CB-CG 4.38Å; P250-K253 HydrophobicContact CG-CD 4.35Å; P250-K253 PolarHBondContact O-N 2.91Å; A251-K253 PolarHBondContact O-N 2.67Å; A251-K253 VanDerWaalsContact O-N 3.08Å
254L98.9Very high98.8Very high0 Ų027.5 Ų27.50%015%0.153CC..EExtended strand (participates in β ladder)trans-89122.2-176.7-167.565.4000110.8I201 I203 V241 M244 L245 P250 A251 L346 A347I201-L254 HydrophobicContact CB-CD1 4.18Å; I201-L254 HydrophobicContact CG2-CD1 4.08Å; I203-L254 HydrophobicContact CB-CD1 4.06Å; I203-L254 HydrophobicContact CG2-CD1 4Å; I203-L254 HydrophobicContact CG2-CG 4.25Å; V241-L254 HydrophobicContact CG1-CD2 4.22Å; M244-L254 HydrophobicContact CB-CD1 4.37Å; M244-L254 HydrophobicContact CB-CD2 3.98Å; M244-L254 HydrophobicContact CE-CD1 4.15Å; L245-L254 HydrophobicContact CD2-CD2 4.03Å; L245-L254 HydrophobicContact CG-CD2 4.29Å; P250-L254 PolarHBondContact O-N 2.85Å; A251-L254 PolarHBondContact O-N 3.14Å; L254-L346 HydrophobicContact CB-CD2 4.46Å; L254-L346 HydrophobicContact CD2-CD2 4.29Å; L254-L346 WeakPolarHBondContact O-CB 3.41Å; L254-A347 VanDerWaalsContact O-CB 3.25Å; L254-A347 WeakPolarHBondContact O-CB 3.37Å; L254-A347 PolarHBondContact O-N 2.81Å
255V98.9Very high98.8Very high0 Ų027.5 Ų27.50%015%0.153CC..EExtended strand (participates in β ladder)trans-112.5119.1179.8-174.60000108.1K23 V25 F200 I201 I203 A347 A349 M350K23-V255 HydrophobicContact CD-CG2 4.45Å; V25-V255 HydrophobicContact CB-CG1 4.34Å; V25-V255 HydrophobicContact CG2-CG1 4.03Å; V25-V255 HydrophobicContact CG2-CG2 4.48Å; F200-V255 HydrophobicContact CB-CG2 3.95Å; F200-V255 HydrophobicContact CD2-CG2 3.91Å; F200-V255 HydrophobicContact CG-CG2 4.22Å; I201-V255 PolarHBondContact O-N 3.39Å; I203-V255 WeakPolarHBondContact CG2-O 3.28Å; I203-V255 PolarHBondContact N-O 2.93Å; V255-A347 HydrophobicContact CG2-CB 3.82Å; V255-A349 VanDerWaalsContact CG1-O 3.3Å; V255-A349 WeakPolarHBondContact CG1-O 3.47Å; V255-M350 HydrophobicContact CG1-CB 3.65Å
256M98.9Very high98.8Very high0 Ų026.3 Ų26.30%015%0.147CC..EExtended strand (participates in β ladder)trans-84.3125.1-170.8-171.1178.780.700112.2T237 V241 I258 K337 Y340 L341 L346 G348 A349 M350T237-M256 HydrophobicContact CG2-CE 4.29Å; T237-M256 HydrophobicContact CG2-CG 3.96Å; T237-M256 HydrophobicContact CG2-SD 3.38Å; T237-M256 WeakPolarHBondContact CG2-SD 3.34Å; V241-M256 HydrophobicContact CG2-CG 4.08Å; V241-M256 HydrophobicContact CG2-SD 4.06Å; M256-I258 HydrophobicContact CE-CD1 4.31Å; M256-I258 HydrophobicContact CE-CG1 4.31Å; M256-K337 HydrophobicContact CE-CB 3.74Å; M256-K337 HydrophobicContact CE-CG 4.37Å; M256-K337 VanDerWaalsContact CE-O 3.3Å; M256-K337 WeakPolarHBondContact CE-O 3.42Å; M256-Y340 HydrophobicContact CE-CD1 4.28Å; M256-Y340 HydrophobicContact SD-CD1 3.73Å; M256-Y340 HydrophobicContact SD-CE1 3.84Å; M256-L341 HydrophobicContact CE-CB 4.03Å; M256-L341 HydrophobicContact CE-CD2 3.98Å; M256-L341 HydrophobicContact SD-CB 4.24Å; M256-L346 HydrophobicContact CB-CD1 3.95Å; M256-L346 HydrophobicContact SD-CD1 4.4Å; M256-G348 PolarHBondContact N-O 3.24Å; M256-A349 CarbonylContact O-C 3.32Å; M256-A349 WeakPolarHBondContact O-CA 3.44Å; M256-M350 PolarHBondContact O-N 3.1Å
257G98.9Very high98.8Very high0 Ų018.8 Ų18.80%012%0.12CC..EExtended strand (participates in β ladder)trans-71.6131.217900000113.7I203 T205 M350I203-G257 VanDerWaalsContact O-CA 3.3Å; I203-G257 WeakPolarHBondContact O-CA 3.33Å; I203-G257 PolarHBondContact O-N 3.28Å; T205-G257 WeakPolarHBondContact OG1-CA 3.33Å; T205-G257 PolarHBondContact OG1-N 3.02Å; T205-G257 VanDerWaalsContact OG1-N 3.14Å; T205-G257 PolarHBondContact OG1-O 3.49Å; G257-M350 CarbonylContact C-O 3.59Å; G257-M350 WeakPolarHBondContact CA-O 3.34Å
258I98.9Very high98.8Very high0 Ų018.8 Ų18.80%013%0.129CC..EExtended strand (participates in β ladder)trans-126.3121.1175.7-57.7-179.7000107.3M256 V334 K337 V338 A349 M350 V351 W352 I376M256-I258 HydrophobicContact CE-CD1 4.31Å; M256-I258 HydrophobicContact CE-CG1 4.31Å; I258-V334 HydrophobicContact CG2-CB 4.28Å; I258-V334 HydrophobicContact CG2-CG1 3.64Å; I258-K337 HydrophobicContact CD1-CB 3.98Å; I258-K337 HydrophobicContact CG1-CB 4.49Å; I258-K337 HydrophobicContact CG1-CD 4.32Å; I258-K337 HydrophobicContact CG2-CD 4.36Å; I258-V338 HydrophobicContact CD1-CG2 4.29Å; I258-A349 HydrophobicContact CD1-CB 4.07Å; I258-M350 PolarHBondContact N-O 2.96Å; I258-V351 WeakPolarHBondContact O-CA 3.2Å; I258-W352 PolarHBondContact O-N 3.19Å; I258-I376 HydrophobicContact CB-CD1 4.16Å; I258-I376 HydrophobicContact CD1-CD1 4.03Å; I258-I376 HydrophobicContact CD1-CG1 4.22Å; I258-I376 HydrophobicContact CG2-CD1 3.92Å
259P98.9Very high98.8Very high0 Ų019.1 Ų19.10%013%0.125CC..EExtended strand (participates in β ladder)trans-79.5146.1-179.634.2-34.9000111.2Y206 F261 D329 W352Y206-P259 HydrophobicContact CD1-CB 4.29Å; Y206-P259 HydrophobicContact CG-CB 4.26Å; P259-F261 HydrophobicContact CB-CD1 3.55Å; P259-F261 HydrophobicContact CB-CE1 3.39Å; P259-F261 HydrophobicContact CB-CG 4.37Å; P259-F261 HydrophobicContact CB-CZ 4.12Å; P259-D329 WeakPolarHBondContact CD-OD2 3.33Å; P259-D329 VanDerWaalsContact CG-OD2 3.25Å; P259-D329 WeakPolarHBondContact CG-OD2 2.99Å; P259-W352 CarbonylContact C-O 3.42Å; P259-W352 WeakPolarHBondContact CA-O 3.43Å
260T98.9Very high98.7Very high1 Ų124.5 Ų24.51%0.00616%0.162CC..SBendtrans-108.531.9166.150.50000110.5Y296 V351 W352 A353 L356 D357 L372T260-Y296 WeakPolarHBondContact O-CB 3.44Å; T260-Y296 PolarHBondContact O-N 2.74Å; T260-V351 HydrophobicContact CG2-CG1 3.68Å; T260-W352 PolarHBondContact N-O 3.4Å; T260-W352 PolarHBondContact OG1-O 3.19Å; T260-A353 PolarHBondContact OG1-N 3.25Å; T260-A353 PolarHBondContact OG1-O 2.92Å; T260-L356 CarbonylContact O-C 3.5Å; T260-L356 WeakPolarHBondContact O-CB 3.12Å; T260-D357 HydrophobicContact CG2-CB 4.03Å; T260-L372 HydrophobicContact CG2-CB 4.06Å; T260-L372 HydrophobicContact CG2-CD1 3.96Å
261F98.9Very high98.7Very high8 Ų827.4 Ų27.44%0.03517%0.172CC..EExtended strand (participates in β ladder)trans-142.5162.117772.2-82.7000108.5Y206 H219 P259 K263 T293 L294 W352 L356Y206-F261 HydrophobicContact CD2-CE1 4.27Å; Y206-F261 HydrophobicContact CD2-CZ 4.1Å; H219-F261 AromaticContact CE1-CD2 3.89Å; H219-F261 AromaticContact CE1-CE2 3.45Å; H219-F261 VanDerWaalsContact CE1-CE2 3.45Å; H219-F261 WeakPolarHBondContact CE1-CE2 3.24Å; H219-F261 AromaticContact CE1-CZ 3.65Å; H219-F261 PolarHBondContact CE1-O 3.33Å; H219-F261 AromaticContact ND1-CE2 3.66Å; H219-F261 AromaticContact ND1-CZ 3.86Å; H219-F261 PolarHBondContact NE2-O 3.48Å; P259-F261 HydrophobicContact CB-CD1 3.55Å; P259-F261 HydrophobicContact CB-CE1 3.39Å; P259-F261 HydrophobicContact CB-CG 4.37Å; P259-F261 HydrophobicContact CB-CZ 4.12Å; F261-K263 HydrophobicContact CE2-CD 4.31Å; F261-K263 HydrophobicContact CE2-CG 4.33Å; F261-T293 HydrophobicContact CD2-CG2 4.11Å; F261-L294 CarbonylContact C-O 3.43Å; F261-L294 VanDerWaalsContact CA-O 3.26Å; F261-L294 WeakPolarHBondContact CA-O 3.26Å; F261-L294 WeakPolarHBondContact CB-O 3.46Å; F261-W352 AromaticContact CD1-CD1 3.99Å; F261-W352 AromaticContact CE1-CD1 3.62Å; F261-L356 HydrophobicContact CB-CB 4.47Å; F261-L356 HydrophobicContact CB-CD1 3.95Å; F261-L356 HydrophobicContact CD1-CD1 4.17Å; F261-L356 HydrophobicContact CG-CD1 4.29Å
262G98.9Very high98.7Very high0 Ų028.5 Ų28.50%018%0.175CC..EExtended strand (participates in β ladder)trans-115.9158.1172.200000112.1T293 L294 G327G262-T293 WeakPolarHBondContact O-CA 3.41Å; G262-L294 PolarHBondContact N-O 2.74Å; G262-L294 PolarHBondContact O-N 2.79Å; G262-L294 VanDerWaalsContact O-N 3.08Å; G262-G327 CarbonylContact C-O 3.58Å; G262-G327 WeakPolarHBondContact CA-O 3.05Å
263K98.9Very high98.5Very high33 Ų3326 Ų2614%0.14316%0.163CC..EExtended strand (participates in β ladder)trans-98.7129.4166.1-72.7-61.5-171.4-170.80110.4D207 H219 F261 G292 T293 V326 G327D207-K263 WeakPolarHBondContact OD1-CE 3.45Å; H219-K263 HydrophobicContact CB-CB 3.84Å; H219-K263 HydrophobicContact CB-CG 3.62Å; F261-K263 HydrophobicContact CE2-CD 4.31Å; F261-K263 HydrophobicContact CE2-CG 4.33Å; K263-G292 VanDerWaalsContact CA-O 3.29Å; K263-G292 WeakPolarHBondContact CA-O 3.49Å; K263-G292 WeakPolarHBondContact CD-O 3.24Å; K263-T293 PolarHBondContact NZ-OG1 2.87Å; K263-V326 WeakPolarHBondContact O-CA 3.39Å; K263-G327 PolarHBondContact N-O 3.05Å; K263-G327 PolarHBondContact O-N 2.99Å
264S98.9Very high98.3Very high3 Ų324.8 Ų24.82%0.02116%0.159CC..EExtended strand (participates in β ladder)trans-114.4153.2-173.964.90000113.1G282 G292 W325S264-G282 VanDerWaalsContact C-N 3.31Å; S264-G282 PolarHBondContact O-N 3.43Å; S264-G282 WeakPolarHBondContact OG-CA 3.49Å; S264-G292 PolarHBondContact N-O 2.87Å; S264-G292 WeakPolarHBondContact O-CA 3.45Å; S264-G292 VanDerWaalsContact OG-CA 3.26Å; S264-G292 WeakPolarHBondContact OG-CA 3.34Å; S264-W325 CarbonylContact C-O 3.48Å; S264-W325 WeakPolarHBondContact CA-O 3.44Å; S264-W325 WeakPolarHBondContact CB-O 3.43Å
265F98.9Very high98.1Very high1 Ų126.9 Ų26.90%0.00418%0.181CC..EExtended strand (participates in β ladder)trans-136.7151.9-179.6-48.6-74.4000111.2A211 T216 G217 I278 G282 W325A211-F265 HydrophobicContact CB-CD1 4.28Å; A211-F265 HydrophobicContact CB-CE1 4.35Å; T216-F265 HydrophobicContact CG2-CB 4.29Å; T216-F265 HydrophobicContact CG2-CD2 3.99Å; T216-F265 HydrophobicContact CG2-CG 4.36Å; G217-F265 WeakPolarHBondContact O-CE2 3.44Å; F265-I278 HydrophobicContact CB-CB 4.25Å; F265-I278 HydrophobicContact CB-CD1 4.42Å; F265-I278 HydrophobicContact CB-CG2 3.65Å; F265-I278 HydrophobicContact CD1-CD1 3.6Å; F265-I278 HydrophobicContact CD1-CG2 4.48Å; F265-I278 HydrophobicContact CE1-CD1 4.27Å; F265-I278 HydrophobicContact CG-CD1 4.27Å; F265-I278 HydrophobicContact CG-CG2 4.1Å; F265-G282 VanDerWaalsContact CA-N 3.33Å; F265-W325 HydrophobicContact CD2-CD2 4.09Å; F265-W325 AromaticContact CD2-CE3 3.34Å; F265-W325 HydrophobicContact CD2-CE3 3.34Å; F265-W325 AromaticContact CD2-CZ3 3.82Å; F265-W325 HydrophobicContact CD2-CZ3 3.82Å; F265-W325 AromaticContact CE2-CE3 3.57Å; F265-W325 HydrophobicContact CE2-CE3 3.57Å; F265-W325 AromaticContact CE2-CZ3 3.51Å; F265-W325 HydrophobicContact CE2-CZ3 3.51Å; F265-W325 PolarHBondContact N-O 3.31Å; F265-W325 PolarHBondContact O-N 2.99Å
266T98.9Very high97.9Very high21 Ų2127 Ų2713%0.12918%0.182CC..EExtended strand (participates in β ladder)trans-96.7117.6165.7-590000108.8I278 S279 G280 P281 N323 Q324T266-I278 CarbonylContact O-C 3.36Å; T266-I278 VanDerWaalsContact O-CA 3.22Å; T266-I278 WeakPolarHBondContact O-CA 3.39Å; T266-I278 VanDerWaalsContact O-CB 3.31Å; T266-I278 WeakPolarHBondContact O-CB 3.41Å; T266-S279 WeakPolarHBondContact CG2-OG 3.28Å; T266-S279 PolarHBondContact O-N 2.79Å; T266-S279 PolarHBondContact O-OG 2.96Å; T266-G280 PolarHBondContact N-O 2.85Å; T266-P281 PolarHBondContact OG1-O 3.29Å; T266-N323 CarbonylContact C-O 3.42Å; T266-N323 WeakPolarHBondContact CA-O 3.3Å; T266-N323 WeakPolarHBondContact CG2-ND2 3.41Å; T266-Q324 PolarHBondContact OG1-NE2 3.02Å; T266-Q324 VanDerWaalsContact OG1-NE2 3.14Å
267L98.8Very high97.8Very high10 Ų1029.4 Ų29.45%0.05220%0.198CC..EExtended strand (participates in β ladder)trans-68.5139-179.9-61.5173000111.1T216 T272 A276 N323 W325T216-L267 HydrophobicContact CG2-CD2 3.5Å; L267-T272 HydrophobicContact CD1-CG2 3.81Å; L267-A276 HydrophobicContact CD2-CB 4.21Å; L267-N323 HydrophobicContact CB-CB 4.47Å; L267-N323 PolarHBondContact N-O 2.75Å; L267-W325 HydrophobicContact CD1-CB 4.49Å; L267-W325 HydrophobicContact CD2-CB 3.98Å; L267-W325 HydrophobicContact CD2-CG 4.42Å; L267-W325 HydrophobicContact CG-CB 4.19Å
268A98.4Very high97.8Very high63 Ų6330.4 Ų30.452%0.52120%0.203SC..SBendtrans-93.3-11.9178.100000113.8P277A268-P277 HydrophobicContact CB-CB 4.28Å; A268-P277 PolarHBondContact N-O 2.87Å
269S97.8Very high97.8Very high47 Ų4734.6 Ų34.633%0.32923%0.232SC..SBendtrans-140.8-173.5179.176.90000111.1E271S269-E271 PolarHBondContact O-N 3.18Å; S269-E271 WeakPolarHBondContact OG-CB 3.33Å; S269-E271 PolarHBondContact OG-N 3.38Å; S269-E271 VanDerWaalsContact OG-N 3.15Å; S269-E271 PolarHBondContact OG-OE1 2.91Å; S269-E271 VanDerWaalsContact OG-OE1 3.11Å
270S97.8Very high97.8Very high118 Ų11835.4 Ų35.483%0.82524%0.24SC*.SBendtrans-75.1-4.4171.855.40000113.6
271E97.9Very high97.8Very high113 Ų11338.2 Ų38.253%0.52826%0.258SS..  trans-74.3129.8177.1-65165.8-106.500110.3S269 A276S269-E271 PolarHBondContact O-N 3.18Å; S269-E271 WeakPolarHBondContact OG-CB 3.33Å; S269-E271 PolarHBondContact OG-N 3.38Å; S269-E271 VanDerWaalsContact OG-N 3.15Å; S269-E271 PolarHBondContact OG-OE1 2.91Å; S269-E271 VanDerWaalsContact OG-OE1 3.11Å; E271-A276 HydrophobicContact CB-CB 3.88Å; E271-A276 WeakPolarHBondContact O-CB 3.48Å
272T97.8Very high97.8Very high50 Ų5037.9 Ų37.931%0.30726%0.258SS..  trans-121.6-2.6-174.354.10000113.4L267 Y318 T320 W325L267-T272 HydrophobicContact CD1-CG2 3.81Å; T272-Y318 VanDerWaalsContact O-CE2 3.27Å; T272-Y318 WeakPolarHBondContact O-CE2 3.27Å; T272-T320 HydrophobicContact CG2-CG2 4.48Å; T272-W325 VanDerWaalsContact O-CD1 3.26Å; T272-W325 PolarHBondContact O-NE1 2.92Å; T272-W325 VanDerWaalsContact O-NE1 3.1Å
273G95.7Very high97.8Very high29 Ų2942.9 Ų42.930%0.29928%0.283SS..SBendtrans-70176179.300000113.2T216 A276T216-G273 PolarHBondContact OG1-O 3.28Å; G273-A276 VanDerWaalsContact O-CB 3.26Å; G273-A276 WeakPolarHBondContact O-CB 3.39Å; G273-A276 PolarHBondContact O-N 3.4Å
274V94.4Very high97.7Very high24 Ų2444.4 Ų44.415%0.14530%0.296CS..THydrogen-bonded Turntrans-64.3136.4166.8179.80000108.9A276 I311 Y318V274-A276 VanDerWaalsContact C-N 3.32Å; V274-I311 HydrophobicContact CG2-CD1 3.61Å; V274-I311 HydrophobicContact CG2-CG1 3.98Å; V274-I311 HydrophobicContact CG2-CG2 4.29Å; V274-Y318 HydrophobicContact CG2-CD1 4.43Å; V274-Y318 HydrophobicContact CG2-CE1 4.17Å
275G93.9Very high97.7Very high44 Ų4444.6 Ų44.645%0.45430%0.299SS..THydrogen-bonded Turntrans83.9-0.4-176.400000115T216T216-G275 WeakPolarHBondContact O-CA 3.47Å; T216-G275 PolarHBondContact O-N 3.32Å; T216-G275 PolarHBondContact OG1-N 3.47Å
276A95.8Very high97.7Very high3 Ų353.7 Ų53.73%0.02533%0.333CS..  trans-60.2144.7176.200000111.6S215 T216 L267 E271 G273 V274S215-A276 CarbonylContact C-O 3.58Å; S215-A276 VanDerWaalsContact CA-O 3.24Å; S215-A276 WeakPolarHBondContact CA-O 3.48Å; T216-A276 HydrophobicContact CG2-CB 4.22Å; T216-A276 PolarHBondContact N-O 3.01Å; T216-A276 PolarHBondContact OG1-N 3.46Å; L267-A276 HydrophobicContact CD2-CB 4.21Å; E271-A276 HydrophobicContact CB-CB 3.88Å; E271-A276 WeakPolarHBondContact O-CB 3.48Å; G273-A276 VanDerWaalsContact O-CB 3.26Å; G273-A276 WeakPolarHBondContact O-CB 3.39Å; G273-A276 PolarHBondContact O-N 3.4Å; V274-A276 VanDerWaalsContact C-N 3.32Å
277P97.1Very high97.7Very high50 Ų5053.2 Ų53.233%0.32533%0.329SS..BIsolated β-bridgetrans-67.4142-179.128.5-35.3000111.6A268A268-P277 HydrophobicContact CB-CB 4.28Å; A268-P277 PolarHBondContact N-O 2.87Å
278I98.5Very high97.6Very high21 Ų2153.9 Ų53.911%0.10833%0.334CS..EExtended strand (participates in β ladder)trans-120.9151.2-179.370.3178.2000110.9A211 G214 T216 F265 T266A211-I278 HydrophobicContact CB-CD1 4.21Å; G214-I278 VanDerWaalsContact C-CG1 3.49Å; T216-I278 HydrophobicContact CG2-CG2 3.56Å; F265-I278 HydrophobicContact CB-CB 4.25Å; F265-I278 HydrophobicContact CB-CD1 4.42Å; F265-I278 HydrophobicContact CB-CG2 3.65Å; F265-I278 HydrophobicContact CD1-CD1 3.6Å; F265-I278 HydrophobicContact CD1-CG2 4.48Å; F265-I278 HydrophobicContact CE1-CD1 4.27Å; F265-I278 HydrophobicContact CG-CD1 4.27Å; F265-I278 HydrophobicContact CG-CG2 4.1Å; T266-I278 CarbonylContact O-C 3.36Å; T266-I278 VanDerWaalsContact O-CA 3.22Å; T266-I278 WeakPolarHBondContact O-CA 3.39Å; T266-I278 VanDerWaalsContact O-CB 3.31Å; T266-I278 WeakPolarHBondContact O-CB 3.41Å
279S98.4Very high97.6Very high87 Ų8756.4 Ų56.461%0.60833%0.333SS*.EExtended strand (participates in β ladder)trans-93.3-6.117165.90000112.7T266T266-S279 WeakPolarHBondContact CG2-OG 3.28Å; T266-S279 PolarHBondContact O-N 2.79Å; T266-S279 PolarHBondContact O-OG 2.96Å
280G98.6Very high97.7Very high17 Ų1759.1 Ų59.118%0.17534%0.341CS..EExtended strand (participates in β ladder)trans154.2-168.6-179.600000113.5T266T266-G280 PolarHBondContact N-O 2.85Å
281P98.8Very high97.7Very high60 Ų6056 Ų5639%0.3932%0.322SS..EExtended strand (participates in β ladder)trans-60.3156.517327.6-34.4000111.5A211 T266 A291A211-P281 HydrophobicContact CB-CB 4.16Å; T266-P281 PolarHBondContact OG1-O 3.29Å; P281-A291 HydrophobicContact CB-CB 4.13Å; P281-A291 HydrophobicContact CG-CB 4.03Å
282G98.8Very high97.7Very high2 Ų251 Ų512%0.02130%0.3CS..PPolyproline II helixtrans-67.2162.217400000111.9S264 F265 G292S264-G282 VanDerWaalsContact C-N 3.31Å; S264-G282 PolarHBondContact O-N 3.43Å; S264-G282 WeakPolarHBondContact OG-CA 3.49Å; F265-G282 VanDerWaalsContact CA-N 3.33Å; G282-G292 PolarHBondContact O-N 3.21Å
283I98.8Very high97.8Very high105 Ų10548.9 Ų48.954%0.53829%0.288SS..PPolyproline II helixtrans-58.4134.1177.5-65.2170.4000108.8Q324I283-Q324 HydrophobicContact CD1-CG 4.27Å
284P98.7Very high97.9Very high64 Ų6448.3 Ų48.342%0.41628%0.278SS..PPolyproline II helixtrans-55.3140176.7-22.429.8000112.2A291P284-A291 HydrophobicContact CG-CB 3.94Å
285G98.4Very high98.2Very high8 Ų847.2 Ų47.28%0.08227%0.271CS..PPolyproline II helixtrans-61.8155170.200000112.4F287 K289 E298G285-F287 VanDerWaalsContact C-N 3.26Å; G285-F287 PolarHBondContact O-N 2.92Å; G285-K289 WeakPolarHBondContact O-CA 3.44Å; G285-K289 PolarHBondContact O-N 3.11Å; G285-K289 VanDerWaalsContact O-N 3.09Å; G285-E298 WeakPolarHBondContact CA-OE1 3.28Å
286R98.2Very high98.4Very high191 Ų19146 Ų4672%0.72125%0.253SS*.THydrogen-bonded Turntrans-58.5-39.2179.7177.1-179.4176-171.7-2.4112.2K289 E298R286-K289 WeakPolarHBondContact O-CE 3.36Å; R286-E298 PolarHBondContact N-OE1 2.89Å
287F98.5Very high98.5Very high11 Ų1146 Ų465%0.04825%0.252CS..THydrogen-bonded Turntrans-103-44.7-172-57-79.5000111.7E36 G285 Y297 E298 F363E36-F287 VanDerWaalsContact O-CD1 3.24Å; E36-F287 WeakPolarHBondContact O-CD1 3.26Å; G285-F287 VanDerWaalsContact C-N 3.26Å; G285-F287 PolarHBondContact O-N 2.92Å; F287-Y297 HydrophobicContact CB-CE2 3.8Å; F287-Y297 HydrophobicContact CD2-CD2 4.08Å; F287-Y297 AromaticContact CD2-CE2 3.58Å; F287-Y297 HydrophobicContact CD2-CE2 3.58Å; F287-Y297 HydrophobicContact CE2-CD2 4.48Å; F287-Y297 HydrophobicContact CE2-CE2 4.35Å; F287-Y297 AromaticContact CG-CE2 3.86Å; F287-Y297 HydrophobicContact CG-CE2 3.86Å; F287-E298 WeakPolarHBondContact CA-OE1 3.5Å; F287-E298 WeakPolarHBondContact CB-OE1 3.1Å; F287-E298 HydrophobicContact CD2-CG 3.87Å; F287-E298 PolarHBondContact N-OE1 2.64Å; F287-F363 AromaticContact CE2-CE1 3.63Å; F287-F363 HydrophobicContact CE2-CE1 3.63Å; F287-F363 HydrophobicContact CE2-CZ 4Å; F287-F363 AromaticContact CZ-CE1 3.82Å; F287-F363 HydrophobicContact CZ-CE1 3.82Å; F287-F363 AromaticContact CZ-CZ 3.91Å; F287-F363 HydrophobicContact CZ-CZ 3.91Å
288T98.3Very high98.6Very high25 Ų2544.2 Ų44.215%0.15324%0.239CC..THydrogen-bonded Turntrans-72-31.418051.90000112.6E290 A295 E298 L356T288-E290 PolarHBondContact O-N 3.06Å; T288-E290 VanDerWaalsContact O-N 3.09Å; T288-A295 HydrophobicContact CG2-CB 3.67Å; T288-E298 WeakPolarHBondContact CB-OE2 3.45Å; T288-E298 WeakPolarHBondContact CG2-OE2 3.47Å; T288-E298 PolarHBondContact N-OE1 2.8Å; T288-E298 PolarHBondContact OG1-OE1 2.89Å; T288-E298 PolarHBondContact OG1-OE2 3.14Å; T288-L356 HydrophobicContact CG2-CD2 3.91Å
289K98.5Very high98.6Very high115 Ų11543.2 Ų43.250%0.523%0.234SC..  trans52.429.6176.4-58.1-173.2-178.6-171.60114.3E36 G285 R286E36-K289 IonicContact OE1-NZ 2.8Å; E36-K289 PolarHBondContact OE1-NZ 3.4Å; E36-K289 IonicContact OE2-NZ 3.52Å; E36-K289 PolarHBondContact OE2-NZ 2.79Å; G285-K289 WeakPolarHBondContact O-CA 3.44Å; G285-K289 PolarHBondContact O-N 3.11Å; G285-K289 VanDerWaalsContact O-N 3.09Å; R286-K289 WeakPolarHBondContact O-CE 3.36Å
290E98.4Very high98.7Very high105 Ų10539.7 Ų39.749%0.49121%0.21SC..  trans-116.2118.7176.3-175.8-176.4-146.100109.9T288 G292 T293T288-E290 PolarHBondContact O-N 3.06Å; T288-E290 VanDerWaalsContact O-N 3.09Å; E290-G292 PolarHBondContact O-N 3.06Å; E290-T293 PolarHBondContact O-N 2.84Å; E290-T293 VanDerWaalsContact O-N 3.12Å; E290-T293 VanDerWaalsContact O-O 3.12Å; E290-T293 WeakPolarHBondContact OE2-CB 3.47Å; E290-T293 PolarHBondContact OE2-OG1 2.97Å
291A98.6Very high98.6Very high52 Ų5241.1 Ų41.143%0.4321%0.213SC..THydrogen-bonded Turntrans-60.1130.3177.700000110.6P281 P284 T293P281-A291 HydrophobicContact CB-CB 4.13Å; P281-A291 HydrophobicContact CG-CB 4.03Å; P284-A291 HydrophobicContact CG-CB 3.94Å; A291-T293 VanDerWaalsContact C-N 3.32Å
292G98.6Very high98.6Very high7 Ų739.6 Ų39.67%0.07220%0.201CC..THydrogen-bonded Turntrans82.13.7-178.600000115K263 S264 G282 E290K263-G292 VanDerWaalsContact CA-O 3.29Å; K263-G292 WeakPolarHBondContact CA-O 3.49Å; K263-G292 WeakPolarHBondContact CD-O 3.24Å; S264-G292 PolarHBondContact N-O 2.87Å; S264-G292 WeakPolarHBondContact O-CA 3.45Å; S264-G292 VanDerWaalsContact OG-CA 3.26Å; S264-G292 WeakPolarHBondContact OG-CA 3.34Å; G282-G292 PolarHBondContact O-N 3.21Å; E290-G292 PolarHBondContact O-N 3.06Å
293T98.8Very high98.6Very high7 Ų741.8 Ų41.84%0.04321%0.212CC..EExtended strand (participates in β ladder)trans-124.3138.6172.9-60.50000109.5F261 G262 K263 E290 A291F261-T293 HydrophobicContact CD2-CG2 4.11Å; G262-T293 WeakPolarHBondContact O-CA 3.41Å; K263-T293 PolarHBondContact NZ-OG1 2.87Å; E290-T293 PolarHBondContact O-N 2.84Å; E290-T293 VanDerWaalsContact O-N 3.12Å; E290-T293 VanDerWaalsContact O-O 3.12Å; E290-T293 WeakPolarHBondContact OE2-CB 3.47Å; E290-T293 PolarHBondContact OE2-OG1 2.97Å; A291-T293 VanDerWaalsContact C-N 3.32Å
294L98.9Very high98.5Very high17 Ų1744.2 Ų44.29%0.08921%0.214CC..EExtended strand (participates in β ladder)trans-132.4133166.5-66.2175.2000109.1F261 G262 E298 I299 V326F261-L294 CarbonylContact C-O 3.43Å; F261-L294 VanDerWaalsContact CA-O 3.26Å; F261-L294 WeakPolarHBondContact CA-O 3.26Å; F261-L294 WeakPolarHBondContact CB-O 3.46Å; G262-L294 PolarHBondContact N-O 2.74Å; G262-L294 PolarHBondContact O-N 2.79Å; G262-L294 VanDerWaalsContact O-N 3.08Å; L294-E298 HydrophobicContact CB-CB 4.3Å; L294-E298 HydrophobicContact CD2-CB 4.21Å; L294-I299 HydrophobicContact CB-CD1 4.19Å; L294-I299 HydrophobicContact CB-CG1 3.73Å; L294-I299 HydrophobicContact CD1-CG1 4.32Å; L294-V326 HydrophobicContact CD1-CB 4.38Å; L294-V326 HydrophobicContact CD1-CG2 4.22Å
295A98.9Very high98.5Very high0 Ų044.8 Ų44.80%023%0.231CC..EExtended strand (participates in β ladder)trans-65.2159167.800000110.7T288 Y297 E298 I299 L356T288-A295 HydrophobicContact CG2-CB 3.67Å; A295-Y297 VanDerWaalsContact C-N 3.28Å; A295-Y297 HydrophobicContact CB-CD1 3.63Å; A295-Y297 HydrophobicContact CB-CD2 4.34Å; A295-Y297 HydrophobicContact CB-CE1 3.24Å; A295-Y297 HydrophobicContact CB-CE2 4Å; A295-Y297 HydrophobicContact CB-CG 4.16Å; A295-Y297 VanDerWaalsContact CB-CZ 3.43Å; A295-Y297 PolarHBondContact O-N 2.97Å; A295-E298 HydrophobicContact CB-CG 4.29Å; A295-E298 PolarHBondContact N-OE2 3.41Å; A295-E298 WeakPolarHBondContact O-CB 3.15Å; A295-E298 PolarHBondContact O-N 2.99Å; A295-I299 WeakPolarHBondContact O-CG1 3.5Å; A295-I299 PolarHBondContact O-N 3.07Å; A295-L356 HydrophobicContact CB-CB 4.22Å; A295-L356 HydrophobicContact CB-CD2 3.72Å
296Y98.9Very high98.5Very high20 Ų2045.3 Ų45.38%0.07824%0.235CC..Hα-helixtrans-59.2-39.3178.8-174.3-116.6000112.6T260 E298 I299 C300 Y328 D329 D330 L356 P371 L372T260-Y296 WeakPolarHBondContact O-CB 3.44Å; T260-Y296 PolarHBondContact O-N 2.74Å; Y296-E298 VanDerWaalsContact C-N 3.31Å; Y296-E298 PolarHBondContact O-N 3.29Å; Y296-I299 CarbonylContact O-C 3.45Å; Y296-I299 WeakPolarHBondContact O-CA 3.39Å; Y296-I299 WeakPolarHBondContact O-CB 3.2Å; Y296-I299 PolarHBondContact O-N 3.37Å; Y296-I299 VanDerWaalsContact O-N 3.11Å; Y296-C300 PolarHBondContact O-N 3.34Å; Y296-Y328 HydrophobicContact CD2-CD2 4.34Å; Y296-Y328 HydrophobicContact CE2-CD2 4.14Å; Y296-Y328 HydrophobicContact CE2-CE2 4.25Å; Y296-D329 WeakPolarHBondContact CE2-O 3.45Å; Y296-D330 HydrophobicContact CE2-CB 4.38Å; Y296-L356 WeakPolarHBondContact CB-O 3.11Å; Y296-L356 PolarHBondContact N-O 2.99Å; Y296-P371 HydrophobicContact CD1-CG 4.23Å; Y296-P371 HydrophobicContact CE1-CG 3.84Å; Y296-L372 HydrophobicContact CD1-CD1 3.72Å; Y296-L372 HydrophobicContact CD1-CD2 4.3Å; Y296-L372 HydrophobicContact CD1-CG 3.67Å; Y296-L372 HydrophobicContact CD2-CD1 3.58Å; Y296-L372 HydrophobicContact CD2-CG 4.24Å; Y296-L372 HydrophobicContact CE1-CD1 4.04Å; Y296-L372 HydrophobicContact CE1-CD2 3.77Å; Y296-L372 HydrophobicContact CE1-CG 3.62Å; Y296-L372 HydrophobicContact CE2-CD1 3.91Å; Y296-L372 HydrophobicContact CE2-CD2 3.99Å; Y296-L372 HydrophobicContact CE2-CG 4.21Å; Y296-L372 HydrophobicContact CG-CD1 3.47Å; Y296-L372 VanDerWaalsContact CG-CD1 3.47Å; Y296-L372 HydrophobicContact CG-CG 3.98Å
297Y98.8Very high98.5Very high3 Ų340 Ų401%0.01222%0.223CC..Hα-helixtrans-64.9-32.7175.759-96.7000113.1F287 A295 C300 D301 D355 D357 F359 F363F287-Y297 HydrophobicContact CB-CE2 3.8Å; F287-Y297 HydrophobicContact CD2-CD2 4.08Å; F287-Y297 AromaticContact CD2-CE2 3.58Å; F287-Y297 HydrophobicContact CD2-CE2 3.58Å; F287-Y297 HydrophobicContact CE2-CD2 4.48Å; F287-Y297 HydrophobicContact CE2-CE2 4.35Å; F287-Y297 AromaticContact CG-CE2 3.86Å; F287-Y297 HydrophobicContact CG-CE2 3.86Å; A295-Y297 VanDerWaalsContact C-N 3.28Å; A295-Y297 HydrophobicContact CB-CD1 3.63Å; A295-Y297 HydrophobicContact CB-CD2 4.34Å; A295-Y297 HydrophobicContact CB-CE1 3.24Å; A295-Y297 HydrophobicContact CB-CE2 4Å; A295-Y297 HydrophobicContact CB-CG 4.16Å; A295-Y297 VanDerWaalsContact CB-CZ 3.43Å; A295-Y297 PolarHBondContact O-N 2.97Å; Y297-C300 PolarHBondContact O-N 2.66Å; Y297-D301 PolarHBondContact O-N 2.62Å; Y297-D355 WeakPolarHBondContact CE1-O 3.46Å; Y297-D357 WeakPolarHBondContact CD1-O 3.29Å; Y297-F359 HydrophobicContact CE1-CE1 4.25Å; Y297-F363 HydrophobicContact CD2-CD1 4.37Å; Y297-F363 HydrophobicContact CD2-CE1 4.23Å; Y297-F363 HydrophobicContact CD2-CE2 4.38Å; Y297-F363 HydrophobicContact CD2-CZ 4.21Å; Y297-F363 HydrophobicContact CG-CD2 4.42Å
298E98.9Very high98.5Very high11 Ų1142.7 Ų42.75%0.05124%0.241CC..Hα-helixtrans-71.9-33.4172-66.6175.5133.300111.8G285 R286 F287 T288 L294 A295 Y296 D301 F302G285-E298 WeakPolarHBondContact CA-OE1 3.28Å; R286-E298 PolarHBondContact N-OE1 2.89Å; F287-E298 WeakPolarHBondContact CA-OE1 3.5Å; F287-E298 WeakPolarHBondContact CB-OE1 3.1Å; F287-E298 HydrophobicContact CD2-CG 3.87Å; F287-E298 PolarHBondContact N-OE1 2.64Å; T288-E298 WeakPolarHBondContact CB-OE2 3.45Å; T288-E298 WeakPolarHBondContact CG2-OE2 3.47Å; T288-E298 PolarHBondContact N-OE1 2.8Å; T288-E298 PolarHBondContact OG1-OE1 2.89Å; T288-E298 PolarHBondContact OG1-OE2 3.14Å; L294-E298 HydrophobicContact CB-CB 4.3Å; L294-E298 HydrophobicContact CD2-CB 4.21Å; A295-E298 HydrophobicContact CB-CG 4.29Å; A295-E298 PolarHBondContact N-OE2 3.41Å; A295-E298 WeakPolarHBondContact O-CB 3.15Å; A295-E298 PolarHBondContact O-N 2.99Å; Y296-E298 VanDerWaalsContact C-N 3.31Å; Y296-E298 PolarHBondContact O-N 3.29Å; E298-D301 PolarHBondContact O-N 2.73Å; E298-F302 WeakPolarHBondContact O-CB 3.39Å; E298-F302 PolarHBondContact O-N 3.5Å
299I98.9Very high98.5Very high0 Ų044.4 Ų44.40%025%0.247CC..Hα-helixtrans-65.6-43.7173.4-67.3157.9000109.6L294 A295 Y296 D301 F302 L303 V326 Y328L294-I299 HydrophobicContact CB-CD1 4.19Å; L294-I299 HydrophobicContact CB-CG1 3.73Å; L294-I299 HydrophobicContact CD1-CG1 4.32Å; A295-I299 WeakPolarHBondContact O-CG1 3.5Å; A295-I299 PolarHBondContact O-N 3.07Å; Y296-I299 CarbonylContact O-C 3.45Å; Y296-I299 WeakPolarHBondContact O-CA 3.39Å; Y296-I299 WeakPolarHBondContact O-CB 3.2Å; Y296-I299 PolarHBondContact O-N 3.37Å; Y296-I299 VanDerWaalsContact O-N 3.11Å; I299-D301 VanDerWaalsContact C-N 3.27Å; I299-D301 PolarHBondContact O-N 2.92Å; I299-F302 CarbonylContact O-C 3.48Å; I299-F302 WeakPolarHBondContact O-CA 3.3Å; I299-F302 VanDerWaalsContact O-CB 3.28Å; I299-F302 WeakPolarHBondContact O-CB 3.31Å; I299-F302 PolarHBondContact O-N 3.48Å; I299-L303 HydrophobicContact CG2-CD1 4.48Å; I299-L303 HydrophobicContact CG2-CD2 4.29Å; I299-L303 HydrophobicContact CG2-CG 4.12Å; I299-L303 VanDerWaalsContact O-CG 3.28Å; I299-L303 WeakPolarHBondContact O-CG 3.38Å; I299-L303 PolarHBondContact O-N 2.88Å; I299-V326 HydrophobicContact CD1-CG2 4.19Å; I299-V326 HydrophobicContact CG1-CG2 4.19Å; I299-Y328 HydrophobicContact CD1-CD2 4.34Å; I299-Y328 HydrophobicContact CD1-CG 4.03Å; I299-Y328 HydrophobicContact CG2-CD1 4.14Å; I299-Y328 HydrophobicContact CG2-CD2 3.71Å; I299-Y328 HydrophobicContact CG2-CE1 4.24Å; I299-Y328 HydrophobicContact CG2-CE2 3.79Å; I299-Y328 HydrophobicContact CG2-CG 3.91Å
300C98.6Very high98.4Very high14 Ų1443 Ų4310%0.09524%0.239CC..Hα-helixtrans-55.5-40.9175.2-730000112.6Y296 Y297 L303 C364Y296-C300 PolarHBondContact O-N 3.34Å; Y297-C300 PolarHBondContact O-N 2.66Å; C300-L303 PolarHBondContact O-N 2.93Å; C300-C364 HydrophobicContact CB-CB 3.9Å; C300-C364 WeakPolarHBondContact CB-SG 3.43Å; C300-C364 WeakPolarHBondContact SG-CB 3.34Å; C300-C364 CovalentContact SG-SG 2.04Å; C300-C364 PolarHBondContact SG-SG 3.36Å
301D97.9Very high98.3Very high47 Ų4738.2 Ų38.225%0.25122%0.216SC..Hα-helixtrans-64.5-43.3170.3-79.8-21.7000112Y297 E298 I299 L303 R304Y297-D301 PolarHBondContact O-N 2.62Å; E298-D301 PolarHBondContact O-N 2.73Å; I299-D301 VanDerWaalsContact C-N 3.27Å; I299-D301 PolarHBondContact O-N 2.92Å; D301-L303 VanDerWaalsContact C-N 3.29Å; D301-L303 PolarHBondContact O-N 3.47Å; D301-R304 PolarHBondContact O-N 3.35Å; D301-R304 IonicContact OD1-CZ 2.99Å; D301-R304 IonicContact OD1-NH1 2.78Å; D301-R304 PolarHBondContact OD1-NH1 3.13Å; D301-R304 IonicContact OD1-NH2 3.05Å; D301-R304 PolarHBondContact OD1-NH2 3.4Å
302F98.6Very high97.9Very high28 Ų2842.2 Ų42.212%0.12323%0.23CC..Hα-helixtrans-60.2-36.7177-179.4-97.5000112.6E298 I299 R304 A306 A319 K321 Q324 V326E298-F302 WeakPolarHBondContact O-CB 3.39Å; E298-F302 PolarHBondContact O-N 3.5Å; I299-F302 CarbonylContact O-C 3.48Å; I299-F302 WeakPolarHBondContact O-CA 3.3Å; I299-F302 VanDerWaalsContact O-CB 3.28Å; I299-F302 WeakPolarHBondContact O-CB 3.31Å; I299-F302 PolarHBondContact O-N 3.48Å; F302-R304 PolarHBondContact O-N 3.31Å; F302-A306 HydrophobicContact CD1-CB 4.22Å; F302-A306 HydrophobicContact CE1-CB 4.04Å; F302-A306 WeakPolarHBondContact O-CB 3.15Å; F302-A319 HydrophobicContact CD1-CB 4.13Å; F302-A319 HydrophobicContact CE1-CB 3.85Å; F302-K321 HydrophobicContact CE1-CB 4.19Å; F302-K321 HydrophobicContact CE2-CB 3.77Å; F302-K321 HydrophobicContact CZ-CB 3.52Å; F302-K321 WeakPolarHBondContact O-CE 3.46Å; F302-K321 PolarHBondContact O-NZ 2.98Å; F302-Q324 HydrophobicContact CE2-CB 3.63Å; F302-Q324 HydrophobicContact CE2-CG 4.41Å; F302-Q324 HydrophobicContact CZ-CB 3.8Å; F302-V326 HydrophobicContact CD1-CG1 3.77Å; F302-V326 HydrophobicContact CE1-CG1 3.71Å
303L98.6Very high97.5Very high48 Ų4843.6 Ų43.625%0.25124%0.244SC..Hα-helixtrans-62.2-23.5-179.1-68.1-172.7000113.3I299 C300 D301 G305 A306 V308 A319 Y328I299-L303 HydrophobicContact CG2-CD1 4.48Å; I299-L303 HydrophobicContact CG2-CD2 4.29Å; I299-L303 HydrophobicContact CG2-CG 4.12Å; I299-L303 VanDerWaalsContact O-CG 3.28Å; I299-L303 WeakPolarHBondContact O-CG 3.38Å; I299-L303 PolarHBondContact O-N 2.88Å; C300-L303 PolarHBondContact O-N 2.93Å; D301-L303 VanDerWaalsContact C-N 3.29Å; D301-L303 PolarHBondContact O-N 3.47Å; L303-G305 PolarHBondContact O-N 2.89Å; L303-A306 PolarHBondContact O-N 2.79Å; L303-V308 HydrophobicContact CD2-CG2 3.61Å; L303-A319 HydrophobicContact CD2-CB 3.47Å; L303-A319 VanDerWaalsContact CD2-CB 3.47Å; L303-Y328 HydrophobicContact CD2-CE1 4.47Å
304R97.2Very high97.3Very high156 Ų15643.4 Ų43.459%0.58924%0.242SC*.THydrogen-bonded Turntrans-63.7108.1173.6-56.6-170.3-163115.910.8109.8D301 F302 A306 K321 F363D301-R304 PolarHBondContact O-N 3.35Å; D301-R304 IonicContact OD1-CZ 2.99Å; D301-R304 IonicContact OD1-NH1 2.78Å; D301-R304 PolarHBondContact OD1-NH1 3.13Å; D301-R304 IonicContact OD1-NH2 3.05Å; D301-R304 PolarHBondContact OD1-NH2 3.4Å; F302-R304 PolarHBondContact O-N 3.31Å; R304-A306 VanDerWaalsContact C-N 3.34Å; R304-K321 PolarHBondContact O-NZ 2.9Å; R304-F363 PolarHBondContact NH2-O 3.03Å
305G97Very high97.3Very high75 Ų7547 Ų4777%0.77326%0.258SS*.THydrogen-bonded Turntrans7812.4-176.600000114.9L303 K321L303-G305 PolarHBondContact O-N 2.89Å; G305-K321 WeakPolarHBondContact O-CD 3.15Å
306A98.6Very high97.2Very high20 Ų2047 Ų4717%0.16526%0.258CS..PPolyproline II helixtrans-92.2160.3171.100000111.1F302 L303 R304 A319 T320 K321F302-A306 HydrophobicContact CD1-CB 4.22Å; F302-A306 HydrophobicContact CE1-CB 4.04Å; F302-A306 WeakPolarHBondContact O-CB 3.15Å; L303-A306 PolarHBondContact O-N 2.79Å; R304-A306 VanDerWaalsContact C-N 3.34Å; A306-A319 HydrophobicContact CB-CB 4.46Å; A306-T320 WeakPolarHBondContact CA-O 3.38Å; A306-T320 WeakPolarHBondContact CB-O 3.38Å; A306-K321 HydrophobicContact CB-CB 3.97Å; A306-K321 HydrophobicContact CB-CD 4.3Å
307T98.8Very high97.2Very high78 Ų7846 Ų4648%0.47926%0.255SS..EExtended strand (participates in β ladder)trans-95.4128166.2-51.80000108.8H309 A319 T320T307-H309 VanDerWaalsContact CG2-NE2 3.3Å; T307-H309 WeakPolarHBondContact CG2-NE2 3.33Å; T307-A319 CarbonylContact O-C 3.49Å; T307-A319 VanDerWaalsContact O-CA 3.28Å; T307-A319 WeakPolarHBondContact O-CA 3.36Å; T307-T320 PolarHBondContact N-O 3.05Å; T307-T320 PolarHBondContact O-N 3.02Å
308V98.8Very high97.2Very high68 Ų6846.6 Ų46.641%0.41226%0.257SS..EExtended strand (participates in β ladder)trans-99.8134.7174.8-178.10000109.4L303 P317 A319L303-V308 HydrophobicContact CD2-CG2 3.61Å; V308-P317 HydrophobicContact CG1-CB 4.22Å; V308-A319 HydrophobicContact CG2-CB 4.29Å
309H98.1Very high97.2Very high62 Ų6246.1 Ų46.129%0.28726%0.255SS..EExtended strand (participates in β ladder)trans-123.7140.7178.4-62.3-89000109.5T307 P317 Y318T307-H309 VanDerWaalsContact CG2-NE2 3.3Å; T307-H309 WeakPolarHBondContact CG2-NE2 3.33Å; H309-P317 CarbonylContact O-C 3.51Å; H309-P317 WeakPolarHBondContact O-CA 3.49Å; H309-Y318 HydrophobicContact CB-CD1 3.85Å; H309-Y318 HydrophobicContact CB-CD2 4.21Å; H309-Y318 HydrophobicContact CB-CE1 3.38Å; H309-Y318 HydrophobicContact CB-CE2 3.76Å; H309-Y318 HydrophobicContact CB-CG 4.26Å; H309-Y318 AromaticContact CD2-CE2 3.36Å; H309-Y318 WeakPolarHBondContact CD2-CE2 3.37Å; H309-Y318 AromaticContact CD2-CZ 3.66Å; H309-Y318 AromaticContact CG-CE2 3.71Å; H309-Y318 AromaticContact CG-CZ 3.5Å; H309-Y318 VanDerWaalsContact CG-CZ 3.5Å; H309-Y318 PolarHBondContact N-O 3.2Å; H309-Y318 PolarHBondContact O-N 3Å
310R97.6Very high97.2Very high86 Ų8646.6 Ų46.633%0.32526%0.258SS..EExtended strand (participates in β ladder)trans-98.8123.6170.4-72.2-71.8-169.4-150.7-14108.9L312 P317 D330 E332R310-L312 PolarHBondContact O-N 3.13Å; R310-L312 VanDerWaalsContact O-N 3.16Å; R310-P317 VanDerWaalsContact NH1-CD 3.3Å; R310-D330 IonicContact CZ-OD1 3.05Å; R310-D330 IonicContact CZ-OD2 3.59Å; R310-D330 IonicContact NH1-OD1 3.24Å; R310-D330 PolarHBondContact NH1-OD1 3.19Å; R310-D330 IonicContact NH1-OD2 2.72Å; R310-D330 PolarHBondContact NH1-OD2 3.4Å; R310-D330 IonicContact NH2-OD1 3.64Å; R310-D330 PolarHBondContact NH2-OD1 2.93Å; R310-D330 IonicContact NH2-OD2 3.59Å; R310-D330 PolarHBondContact NH2-OD2 3.46Å; R310-E332 IonicContact CZ-OE1 2.93Å; R310-E332 IonicContact CZ-OE2 2.74Å; R310-E332 VanDerWaalsContact CZ-OE2 3.3Å; R310-E332 IonicContact NE-OE1 2.79Å; R310-E332 IonicContact NE-OE2 2.91Å; R310-E332 PolarHBondContact NE-OE2 3.05Å; R310-E332 VanDerWaalsContact NH2-CB 3.3Å; R310-E332 VanDerWaalsContact NH2-CD 3.33Å; R310-E332 IonicContact NH2-OE2 2.64Å; R310-E332 PolarHBondContact NH2-OE2 3.12Å
311I95.5Very high97.2Very high3 Ų349.5 Ų49.52%0.01527%0.269CS..EExtended strand (participates in β ladder)trans-80.3100.9177.1-50.7172.7000108.3H218 V274 G313 Q314 Q315 V316 Y318H218-I311 HydrophobicContact CB-CD1 3.91Å; V274-I311 HydrophobicContact CG2-CD1 3.61Å; V274-I311 HydrophobicContact CG2-CG1 3.98Å; V274-I311 HydrophobicContact CG2-CG2 4.29Å; I311-G313 PolarHBondContact O-N 2.87Å; I311-Q314 HydrophobicContact CB-CB 3.98Å; I311-Q314 HydrophobicContact CB-CG 4.41Å; I311-Q314 HydrophobicContact CG2-CB 3.74Å; I311-Q314 HydrophobicContact CG2-CG 3.63Å; I311-Q314 PolarHBondContact O-N 3.45Å; I311-Q315 PolarHBondContact O-N 3.31Å; I311-Q315 VanDerWaalsContact O-N 3.13Å; I311-V316 HydrophobicContact CD1-CG2 4.22Å; I311-V316 PolarHBondContact N-O 2.99Å; I311-Y318 HydrophobicContact CD1-CD1 3.76Å; I311-Y318 HydrophobicContact CD1-CE1 4.41Å; I311-Y318 HydrophobicContact CG1-CD1 3.47Å; I311-Y318 VanDerWaalsContact CG1-CD1 3.47Å; I311-Y318 HydrophobicContact CG1-CE1 3.84Å
312L89.3Confident97.2Very high137 Ų13750.8 Ų50.872%0.71729%0.294SS*.THydrogen-bonded Turntrans-59.3131.3177.6-65.1178.6000109.9R310 Q314R310-L312 PolarHBondContact O-N 3.13Å; R310-L312 VanDerWaalsContact O-N 3.16Å; L312-Q314 VanDerWaalsContact C-N 3.26Å; L312-Q314 PolarHBondContact O-N 2.93Å
313G90.3Very high97.2Very high35 Ų3553.5 Ų53.536%0.36131%0.309SS..THydrogen-bonded Turntrans80.2-10.9-176.500000115.5F223 G225 I311F223-G313 WeakPolarHBondContact CB-O 3.19Å; G225-G313 WeakPolarHBondContact CA-O 3.41Å; G225-G313 PolarHBondContact N-O 2.83Å; I311-G313 PolarHBondContact O-N 2.87Å
314Q96Very high97.3Very high3 Ų352.2 Ų52.21%0.01430%0.302CS..THydrogen-bonded Turntrans-102.1-16.3165.4-62.1-167.7-9.700112.9P221 L222 F223 R224 I311 L312 V316P221-Q314 HydrophobicContact CB-CB 3.85Å; P221-Q314 HydrophobicContact CB-CG 4.02Å; L222-Q314 WeakPolarHBondContact CB-O 3.48Å; L222-Q314 PolarHBondContact N-O 2.96Å; F223-Q314 WeakPolarHBondContact O-CG 3.38Å; R224-Q314 PolarHBondContact O-NE2 2.95Å; I311-Q314 HydrophobicContact CB-CB 3.98Å; I311-Q314 HydrophobicContact CB-CG 4.41Å; I311-Q314 HydrophobicContact CG2-CB 3.74Å; I311-Q314 HydrophobicContact CG2-CG 3.63Å; I311-Q314 PolarHBondContact O-N 3.45Å; L312-Q314 VanDerWaalsContact C-N 3.26Å; L312-Q314 PolarHBondContact O-N 2.93Å; Q314-V316 VanDerWaalsContact C-N 3.35Å; Q314-V316 HydrophobicContact CB-CG2 3.84Å; Q314-V316 PolarHBondContact O-N 3.14Å
315Q97.4Very high97.3Very high92 Ų9244.8 Ų44.843%0.4327%0.274SS..THydrogen-bonded Turntrans6136.6176-52.7-66.3-2.400114.3L222 F223 I311 S333L222-Q315 HydrophobicContact CB-CB 4.15Å; L222-Q315 HydrophobicContact CD2-CB 4.11Å; L222-Q315 HydrophobicContact CD2-CG 4.33Å; F223-Q315 HydrophobicContact CD2-CG 3.92Å; F223-Q315 HydrophobicContact CE2-CG 3.95Å; I311-Q315 PolarHBondContact O-N 3.31Å; I311-Q315 VanDerWaalsContact O-N 3.13Å; Q315-S333 WeakPolarHBondContact O-CB 3.45Å
316V98.5Very high97.4Very high0 Ų041.2 Ų41.20%024%0.237CC..EExtended strand (participates in β ladder)trans-144.9152.7-177.5-70.20000110.5H218 P221 I311 Q314H218-V316 HydrophobicContact CB-CG2 4.21Å; P221-V316 HydrophobicContact CB-CG2 4.41Å; I311-V316 HydrophobicContact CD1-CG2 4.22Å; I311-V316 PolarHBondContact N-O 2.99Å; Q314-V316 VanDerWaalsContact C-N 3.35Å; Q314-V316 HydrophobicContact CB-CG2 3.84Å; Q314-V316 PolarHBondContact O-N 3.14Å
317P98.6Very high97.4Very high0 Ų040.3 Ų40.30%023%0.229CC..EExtended strand (participates in β ladder)trans-87.2160.7175.335.1-33.5000113.5H218 V308 H309 R310 Y328 D330H218-P317 PolarHBondContact CD2-O 2.85Å; H218-P317 PolarHBondContact NE2-O 2.88Å; V308-P317 HydrophobicContact CG1-CB 4.22Å; H309-P317 CarbonylContact O-C 3.51Å; H309-P317 WeakPolarHBondContact O-CA 3.49Å; R310-P317 VanDerWaalsContact NH1-CD 3.3Å; P317-Y328 HydrophobicContact CB-CE1 4.06Å; P317-Y328 WeakPolarHBondContact CD-O 3.44Å; P317-Y328 HydrophobicContact CG-CD1 4.35Å; P317-Y328 HydrophobicContact CG-CD2 4.29Å; P317-Y328 HydrophobicContact CG-CE1 4.04Å; P317-Y328 HydrophobicContact CG-CE2 3.99Å; P317-Y328 HydrophobicContact CG-CG 4.45Å; P317-Y328 VanDerWaalsContact CG-O 3.27Å; P317-Y328 WeakPolarHBondContact CG-O 3.43Å; P317-Y328 PolarHBondContact O-N 3.49Å; P317-D330 HydrophobicContact CG-CB 4.33Å
318Y98.8Very high97.4Very high16 Ų1636.7 Ų36.76%0.06321%0.207CC..EExtended strand (participates in β ladder)trans-133.7160.8152.471.3-91.5000109.6T272 V274 H309 I311 T320 W325 V326T272-Y318 VanDerWaalsContact O-CE2 3.27Å; T272-Y318 WeakPolarHBondContact O-CE2 3.27Å; V274-Y318 HydrophobicContact CG2-CD1 4.43Å; V274-Y318 HydrophobicContact CG2-CE1 4.17Å; H309-Y318 HydrophobicContact CB-CD1 3.85Å; H309-Y318 HydrophobicContact CB-CD2 4.21Å; H309-Y318 HydrophobicContact CB-CE1 3.38Å; H309-Y318 HydrophobicContact CB-CE2 3.76Å; H309-Y318 HydrophobicContact CB-CG 4.26Å; H309-Y318 AromaticContact CD2-CE2 3.36Å; H309-Y318 WeakPolarHBondContact CD2-CE2 3.37Å; H309-Y318 AromaticContact CD2-CZ 3.66Å; H309-Y318 AromaticContact CG-CE2 3.71Å; H309-Y318 AromaticContact CG-CZ 3.5Å; H309-Y318 VanDerWaalsContact CG-CZ 3.5Å; H309-Y318 PolarHBondContact N-O 3.2Å; H309-Y318 PolarHBondContact O-N 3Å; I311-Y318 HydrophobicContact CD1-CD1 3.76Å; I311-Y318 HydrophobicContact CD1-CE1 4.41Å; I311-Y318 HydrophobicContact CG1-CD1 3.47Å; I311-Y318 VanDerWaalsContact CG1-CD1 3.47Å; I311-Y318 HydrophobicContact CG1-CE1 3.84Å; Y318-T320 HydrophobicContact CD2-CG2 3.76Å; Y318-T320 HydrophobicContact CE2-CG2 3.67Å; Y318-W325 AromaticContact CD1-CZ2 3.86Å; Y318-W325 HydrophobicContact CD1-CZ2 3.86Å; Y318-W325 AromaticContact CD2-CD1 3.83Å; Y318-W325 HydrophobicContact CD2-CD2 4.28Å; Y318-W325 AromaticContact CD2-CE2 3.43Å; Y318-W325 VanDerWaalsContact CD2-CE2 3.43Å; Y318-W325 HydrophobicContact CD2-CG 4.49Å; Y318-W325 AromaticContact CD2-CZ2 3.74Å; Y318-W325 HydrophobicContact CD2-CZ2 3.74Å; Y318-W325 AromaticContact CD2-NE1 3.1Å; Y318-W325 HydrophobicContact CE2-CZ2 4.48Å; Y318-W325 AromaticContact CE2-NE1 3.33Å; Y318-W325 VanDerWaalsContact CE2-NE1 3.33Å; Y318-W325 AromaticContact CG-CE2 3.6Å; Y318-W325 HydrophobicContact CG-CH2 4.21Å; Y318-W325 AromaticContact CG-CZ2 3.37Å; Y318-W325 HydrophobicContact CG-CZ2 3.37Å; Y318-W325 AromaticContact CG-NE1 3.74Å; Y318-V326 CarbonylContact C-O 3.52Å; Y318-V326 WeakPolarHBondContact CA-O 3.18Å; Y318-V326 WeakPolarHBondContact CB-O 3.17Å
319A98.9Very high97.5Very high0 Ų033.6 Ų33.60%019%0.188CC..EExtended strand (participates in β ladder)trans-127.6146.8176.800000111.4F302 L303 A306 T307 V308 W325 V326 Y328F302-A319 HydrophobicContact CD1-CB 4.13Å; F302-A319 HydrophobicContact CE1-CB 3.85Å; L303-A319 HydrophobicContact CD2-CB 3.47Å; L303-A319 VanDerWaalsContact CD2-CB 3.47Å; A306-A319 HydrophobicContact CB-CB 4.46Å; T307-A319 CarbonylContact O-C 3.49Å; T307-A319 VanDerWaalsContact O-CA 3.28Å; T307-A319 WeakPolarHBondContact O-CA 3.36Å; V308-A319 HydrophobicContact CG2-CB 4.29Å; A319-W325 CarbonylContact O-C 3.47Å; A319-W325 WeakPolarHBondContact O-CA 3.31Å; A319-V326 HydrophobicContact CB-CG1 4.05Å; A319-V326 PolarHBondContact N-O 3.14Å; A319-V326 PolarHBondContact O-N 3Å; A319-Y328 HydrophobicContact CB-CE1 3.85Å
320T98.8Very high97.5Very high10 Ų1031.6 Ų31.66%0.06118%0.179CC..EExtended strand (participates in β ladder)trans-132.713917961.80000112.1T272 A306 T307 Y318 Q324 W325T272-T320 HydrophobicContact CG2-CG2 4.48Å; A306-T320 WeakPolarHBondContact CA-O 3.38Å; A306-T320 WeakPolarHBondContact CB-O 3.38Å; T307-T320 PolarHBondContact N-O 3.05Å; T307-T320 PolarHBondContact O-N 3.02Å; Y318-T320 HydrophobicContact CD2-CG2 3.76Å; Y318-T320 HydrophobicContact CE2-CG2 3.67Å; T320-Q324 VanDerWaalsContact CA-O 3.26Å; T320-Q324 WeakPolarHBondContact CA-O 3.48Å; T320-W325 HydrophobicContact CG2-CB 4.38Å; T320-W325 HydrophobicContact CG2-CG 4.04Å
321K98.7Very high97.5Very high75 Ų7529.8 Ų29.833%0.32618%0.175SC..EExtended strand (participates in β ladder)trans-151.2117.9175.2-170.2164.768.8-172.20109.9F302 R304 G305 A306 N323 Q324F302-K321 HydrophobicContact CE1-CB 4.19Å; F302-K321 HydrophobicContact CE2-CB 3.77Å; F302-K321 HydrophobicContact CZ-CB 3.52Å; F302-K321 WeakPolarHBondContact O-CE 3.46Å; F302-K321 PolarHBondContact O-NZ 2.98Å; R304-K321 PolarHBondContact O-NZ 2.9Å; G305-K321 WeakPolarHBondContact O-CD 3.15Å; A306-K321 HydrophobicContact CB-CB 3.97Å; A306-K321 HydrophobicContact CB-CD 4.3Å; K321-N323 PolarHBondContact O-N 2.66Å; K321-Q324 PolarHBondContact N-O 3.22Å; K321-Q324 WeakPolarHBondContact O-CB 3.09Å; K321-Q324 PolarHBondContact O-N 2.86Å
322G98.2Very high97.7Very high75 Ų7535 Ų3577%0.77320%0.199SC*.THydrogen-bonded Turntrans58.3-127-17100000110.7Q324G322-Q324 VanDerWaalsContact C-N 3.34Å
323N98.6Very high98.1Very high84 Ų8428.5 Ų28.545%0.44917%0.165SC..THydrogen-bonded Turntrans-92.413.7175.772.2-10.9000113.6T266 L267 K321T266-N323 CarbonylContact C-O 3.42Å; T266-N323 WeakPolarHBondContact CA-O 3.3Å; T266-N323 WeakPolarHBondContact CG2-ND2 3.41Å; L267-N323 HydrophobicContact CB-CB 4.47Å; L267-N323 PolarHBondContact N-O 2.75Å; K321-N323 PolarHBondContact O-N 2.66Å
324Q98.9Very high98.5Very high21 Ų2126.8 Ų26.810%0.09815%0.148CC..EExtended strand (participates in β ladder)trans-102.4137.5179.7-62.7-59.1-7100110.8T266 I283 F302 T320 K321 G322T266-Q324 PolarHBondContact OG1-NE2 3.02Å; T266-Q324 VanDerWaalsContact OG1-NE2 3.14Å; I283-Q324 HydrophobicContact CD1-CG 4.27Å; F302-Q324 HydrophobicContact CE2-CB 3.63Å; F302-Q324 HydrophobicContact CE2-CG 4.41Å; F302-Q324 HydrophobicContact CZ-CB 3.8Å; T320-Q324 VanDerWaalsContact CA-O 3.26Å; T320-Q324 WeakPolarHBondContact CA-O 3.48Å; K321-Q324 PolarHBondContact N-O 3.22Å; K321-Q324 WeakPolarHBondContact O-CB 3.09Å; K321-Q324 PolarHBondContact O-N 2.86Å; G322-Q324 VanDerWaalsContact C-N 3.34Å
325W98.9Very high98.7Very high0 Ų031.9 Ų31.90%017%0.17CC..EExtended strand (participates in β ladder)trans-129135.6176.7-169.8107.8000108.8T216 S264 F265 L267 T272 Y318 A319 T320 G327T216-W325 HydrophobicContact CG2-CB 4.12Å; T216-W325 HydrophobicContact CG2-CD2 3.96Å; T216-W325 HydrophobicContact CG2-CG 3.75Å; S264-W325 CarbonylContact C-O 3.48Å; S264-W325 WeakPolarHBondContact CA-O 3.44Å; S264-W325 WeakPolarHBondContact CB-O 3.43Å; F265-W325 HydrophobicContact CD2-CD2 4.09Å; F265-W325 AromaticContact CD2-CE3 3.34Å; F265-W325 HydrophobicContact CD2-CE3 3.34Å; F265-W325 AromaticContact CD2-CZ3 3.82Å; F265-W325 HydrophobicContact CD2-CZ3 3.82Å; F265-W325 AromaticContact CE2-CE3 3.57Å; F265-W325 HydrophobicContact CE2-CE3 3.57Å; F265-W325 AromaticContact CE2-CZ3 3.51Å; F265-W325 HydrophobicContact CE2-CZ3 3.51Å; F265-W325 PolarHBondContact N-O 3.31Å; F265-W325 PolarHBondContact O-N 2.99Å; L267-W325 HydrophobicContact CD1-CB 4.49Å; L267-W325 HydrophobicContact CD2-CB 3.98Å; L267-W325 HydrophobicContact CD2-CG 4.42Å; L267-W325 HydrophobicContact CG-CB 4.19Å; T272-W325 VanDerWaalsContact O-CD1 3.26Å; T272-W325 PolarHBondContact O-NE1 2.92Å; T272-W325 VanDerWaalsContact O-NE1 3.1Å; Y318-W325 AromaticContact CD1-CZ2 3.86Å; Y318-W325 HydrophobicContact CD1-CZ2 3.86Å; Y318-W325 AromaticContact CD2-CD1 3.83Å; Y318-W325 HydrophobicContact CD2-CD2 4.28Å; Y318-W325 AromaticContact CD2-CE2 3.43Å; Y318-W325 VanDerWaalsContact CD2-CE2 3.43Å; Y318-W325 HydrophobicContact CD2-CG 4.49Å; Y318-W325 AromaticContact CD2-CZ2 3.74Å; Y318-W325 HydrophobicContact CD2-CZ2 3.74Å; Y318-W325 AromaticContact CD2-NE1 3.1Å; Y318-W325 HydrophobicContact CE2-CZ2 4.48Å; Y318-W325 AromaticContact CE2-NE1 3.33Å; Y318-W325 VanDerWaalsContact CE2-NE1 3.33Å; Y318-W325 AromaticContact CG-CE2 3.6Å; Y318-W325 HydrophobicContact CG-CH2 4.21Å; Y318-W325 AromaticContact CG-CZ2 3.37Å; Y318-W325 HydrophobicContact CG-CZ2 3.37Å; Y318-W325 AromaticContact CG-NE1 3.74Å; A319-W325 CarbonylContact O-C 3.47Å; A319-W325 WeakPolarHBondContact O-CA 3.31Å; T320-W325 HydrophobicContact CG2-CB 4.38Å; T320-W325 HydrophobicContact CG2-CG 4.04Å; W325-G327 VanDerWaalsContact CE3-N 3.34Å
326V98.9Very high98.7Very high1 Ų129.5 Ų29.51%0.00616%0.163CC..EExtended strand (participates in β ladder)trans-138.8127.417460.90000111.2K263 L294 I299 F302 Y318 A319 Y328K263-V326 WeakPolarHBondContact O-CA 3.39Å; L294-V326 HydrophobicContact CD1-CB 4.38Å; L294-V326 HydrophobicContact CD1-CG2 4.22Å; I299-V326 HydrophobicContact CD1-CG2 4.19Å; I299-V326 HydrophobicContact CG1-CG2 4.19Å; F302-V326 HydrophobicContact CD1-CG1 3.77Å; F302-V326 HydrophobicContact CE1-CG1 3.71Å; Y318-V326 CarbonylContact C-O 3.52Å; Y318-V326 WeakPolarHBondContact CA-O 3.18Å; Y318-V326 WeakPolarHBondContact CB-O 3.17Å; A319-V326 HydrophobicContact CB-CG1 4.05Å; A319-V326 PolarHBondContact N-O 3.14Å; A319-V326 PolarHBondContact O-N 3Å; V326-Y328 HydrophobicContact CG1-CD1 4.34Å
327G98.8Very high98.8Very high0 Ų029.5 Ų29.50%016%0.163CC..EExtended strand (participates in β ladder)trans-101.2126.4171.800000108.2H219 G262 K263 W325H219-G327 PolarHBondContact CD2-O 3.28Å; H219-G327 VanDerWaalsContact CD2-O 3.31Å; G262-G327 CarbonylContact C-O 3.58Å; G262-G327 WeakPolarHBondContact CA-O 3.05Å; K263-G327 PolarHBondContact N-O 3.05Å; K263-G327 PolarHBondContact O-N 2.99Å; W325-G327 VanDerWaalsContact CE3-N 3.34Å
328Y98.9Very high98.8Very high3 Ų329.5 Ų29.51%0.01216%0.163CC..  trans-151.5170.4-168.267.8-74.9000110.8H218 Y296 I299 L303 P317 A319 V326 D330H218-Y328 PolarHBondContact NE2-N 2.89Å; H218-Y328 PolarHBondContact NE2-O 3.48Å; Y296-Y328 HydrophobicContact CD2-CD2 4.34Å; Y296-Y328 HydrophobicContact CE2-CD2 4.14Å; Y296-Y328 HydrophobicContact CE2-CE2 4.25Å; I299-Y328 HydrophobicContact CD1-CD2 4.34Å; I299-Y328 HydrophobicContact CD1-CG 4.03Å; I299-Y328 HydrophobicContact CG2-CD1 4.14Å; I299-Y328 HydrophobicContact CG2-CD2 3.71Å; I299-Y328 HydrophobicContact CG2-CE1 4.24Å; I299-Y328 HydrophobicContact CG2-CE2 3.79Å; I299-Y328 HydrophobicContact CG2-CG 3.91Å; L303-Y328 HydrophobicContact CD2-CE1 4.47Å; P317-Y328 HydrophobicContact CB-CE1 4.06Å; P317-Y328 WeakPolarHBondContact CD-O 3.44Å; P317-Y328 HydrophobicContact CG-CD1 4.35Å; P317-Y328 HydrophobicContact CG-CD2 4.29Å; P317-Y328 HydrophobicContact CG-CE1 4.04Å; P317-Y328 HydrophobicContact CG-CE2 3.99Å; P317-Y328 HydrophobicContact CG-CG 4.45Å; P317-Y328 VanDerWaalsContact CG-O 3.27Å; P317-Y328 WeakPolarHBondContact CG-O 3.43Å; P317-Y328 PolarHBondContact O-N 3.49Å; A319-Y328 HydrophobicContact CB-CE1 3.85Å; V326-Y328 HydrophobicContact CG1-CD1 4.34Å; Y328-D330 HydrophobicContact CE2-CB 3.97Å
329D98.9Very high98.8Very high2 Ų232.6 Ų32.61%0.01118%0.178CC..  trans-101.9144.6169.1-84.3-78000111.9P259 Y296 S333 V334 K337P259-D329 WeakPolarHBondContact CD-OD2 3.33Å; P259-D329 VanDerWaalsContact CG-OD2 3.25Å; P259-D329 WeakPolarHBondContact CG-OD2 2.99Å; Y296-D329 WeakPolarHBondContact CE2-O 3.45Å; D329-S333 VanDerWaalsContact CA-OG 3.31Å; D329-S333 WeakPolarHBondContact CA-OG 3.5Å; D329-S333 WeakPolarHBondContact CB-OG 3.35Å; D329-S333 WeakPolarHBondContact OD1-CB 3.45Å; D329-S333 PolarHBondContact OD1-OG 3.45Å; D329-V334 HydrophobicContact CB-CG1 3.84Å; D329-K337 VanDerWaalsContact OD1-CE 3.27Å; D329-K337 WeakPolarHBondContact OD1-CE 3.48Å; D329-K337 IonicContact OD1-NZ 2.73Å; D329-K337 PolarHBondContact OD1-NZ 2.82Å; D329-K337 IonicContact OD2-NZ 2.62Å; D329-K337 PolarHBondContact OD2-NZ 3.22Å
330D98.8Very high98.8Very high20 Ų2033.3 Ų33.311%0.10718%0.181CC..  trans-126.7-179.3172.2723.1000111.6Y296 R310 P317 Y328 E332 S333 V334 L372Y296-D330 HydrophobicContact CE2-CB 4.38Å; R310-D330 IonicContact CZ-OD1 3.05Å; R310-D330 IonicContact CZ-OD2 3.59Å; R310-D330 IonicContact NH1-OD1 3.24Å; R310-D330 PolarHBondContact NH1-OD1 3.19Å; R310-D330 IonicContact NH1-OD2 2.72Å; R310-D330 PolarHBondContact NH1-OD2 3.4Å; R310-D330 IonicContact NH2-OD1 3.64Å; R310-D330 PolarHBondContact NH2-OD1 2.93Å; R310-D330 IonicContact NH2-OD2 3.59Å; R310-D330 PolarHBondContact NH2-OD2 3.46Å; P317-D330 HydrophobicContact CG-CB 4.33Å; Y328-D330 HydrophobicContact CE2-CB 3.97Å; D330-E332 PolarHBondContact O-N 3.08Å; D330-E332 VanDerWaalsContact O-N 3.08Å; D330-E332 PolarHBondContact OD1-N 2.89Å; D330-E332 VanDerWaalsContact OD1-N 3.11Å; D330-S333 PolarHBondContact N-OG 2.96Å; D330-S333 PolarHBondContact O-N 3.32Å; D330-S333 PolarHBondContact O-OG 2.9Å; D330-S333 PolarHBondContact OD1-N 2.66Å; D330-V334 WeakPolarHBondContact O-CG1 3.17Å; D330-V334 WeakPolarHBondContact O-CG2 3.41Å; D330-V334 PolarHBondContact O-N 3.33Å; D330-L372 VanDerWaalsContact C-CD2 3.46Å
331Q98.6Very high98.8Very high49 Ų4932.9 Ų32.923%0.22918%0.178CC..Hα-helixtrans-55.8-30-177.1-71.2179.2-26.200113.6K335 P371 L372 A375Q331-K335 WeakPolarHBondContact O-CB 3.39Å; Q331-K335 VanDerWaalsContact O-CD 3.28Å; Q331-K335 WeakPolarHBondContact O-CD 3.44Å; Q331-K335 WeakPolarHBondContact O-CG 3.17Å; Q331-K335 PolarHBondContact O-N 2.76Å; Q331-P371 PolarHBondContact NE2-O 3.36Å; Q331-L372 HydrophobicContact CG-CD2 4.07Å; Q331-A375 HydrophobicContact CB-CB 4.3Å; Q331-A375 HydrophobicContact CG-CB 4.11Å
332E98.6Very high98.7Very high111 Ų11130.2 Ų30.252%0.51917%0.167SC..Hα-helixtrans-78.6-45.2179.5-169-174.213900111.3R310 D330 K335 S336R310-E332 IonicContact CZ-OE1 2.93Å; R310-E332 IonicContact CZ-OE2 2.74Å; R310-E332 VanDerWaalsContact CZ-OE2 3.3Å; R310-E332 IonicContact NE-OE1 2.79Å; R310-E332 IonicContact NE-OE2 2.91Å; R310-E332 PolarHBondContact NE-OE2 3.05Å; R310-E332 VanDerWaalsContact NH2-CB 3.3Å; R310-E332 VanDerWaalsContact NH2-CD 3.33Å; R310-E332 IonicContact NH2-OE2 2.64Å; R310-E332 PolarHBondContact NH2-OE2 3.12Å; D330-E332 PolarHBondContact O-N 3.08Å; D330-E332 VanDerWaalsContact O-N 3.08Å; D330-E332 PolarHBondContact OD1-N 2.89Å; D330-E332 VanDerWaalsContact OD1-N 3.11Å; E332-K335 PolarHBondContact O-N 3.27Å; E332-S336 PolarHBondContact O-N 3.43Å; E332-S336 PolarHBondContact O-OG 3.11Å
333S98.8Very high98.7Very high1 Ų132 Ų321%0.00716%0.159CC..Hα-helixtrans-69.5-38.118068.30000111.8Q315 D329 D330 K335 S336 K337Q315-S333 WeakPolarHBondContact O-CB 3.45Å; D329-S333 VanDerWaalsContact CA-OG 3.31Å; D329-S333 WeakPolarHBondContact CA-OG 3.5Å; D329-S333 WeakPolarHBondContact CB-OG 3.35Å; D329-S333 WeakPolarHBondContact OD1-CB 3.45Å; D329-S333 PolarHBondContact OD1-OG 3.45Å; D330-S333 PolarHBondContact N-OG 2.96Å; D330-S333 PolarHBondContact O-N 3.32Å; D330-S333 PolarHBondContact O-OG 2.9Å; D330-S333 PolarHBondContact OD1-N 2.66Å; S333-K335 VanDerWaalsContact C-N 3.34Å; S333-K335 PolarHBondContact O-N 3.44Å; S333-S336 WeakPolarHBondContact O-CB 3.39Å; S333-S336 PolarHBondContact O-N 3.25Å; S333-K337 WeakPolarHBondContact O-CG 3.44Å; S333-K337 PolarHBondContact O-N 3.34Å
334V98.9Very high98.7Very high0 Ų033 Ų330%016%0.156CC..Hα-helixtrans-65.5-37.2175.4-56.10000111.9I258 D329 D330 K337 V338 A375 I376I258-V334 HydrophobicContact CG2-CB 4.28Å; I258-V334 HydrophobicContact CG2-CG1 3.64Å; D329-V334 HydrophobicContact CB-CG1 3.84Å; D330-V334 WeakPolarHBondContact O-CG1 3.17Å; D330-V334 WeakPolarHBondContact O-CG2 3.41Å; D330-V334 PolarHBondContact O-N 3.33Å; V334-K337 PolarHBondContact O-N 3.29Å; V334-V338 WeakPolarHBondContact O-CG2 3.21Å; V334-V338 PolarHBondContact O-N 3.32Å; V334-A375 HydrophobicContact CG2-CB 3.82Å; V334-I376 HydrophobicContact CB-CD1 4.28Å; V334-I376 HydrophobicContact CB-CG1 3.79Å; V334-I376 HydrophobicContact CG1-CD1 4.43Å; V334-I376 HydrophobicContact CG1-CG1 4.45Å; V334-I376 HydrophobicContact CG2-CG1 4Å
335K98.8Very high98.7Very high109 Ų10939.3 Ų39.347%0.47419%0.186SC..Hα-helixtrans-62.8-42.8172.9-77172.8-175.1-179.90111.5Q331 E332 S333 K337 V338 Q339 A379Q331-K335 WeakPolarHBondContact O-CB 3.39Å; Q331-K335 VanDerWaalsContact O-CD 3.28Å; Q331-K335 WeakPolarHBondContact O-CD 3.44Å; Q331-K335 WeakPolarHBondContact O-CG 3.17Å; Q331-K335 PolarHBondContact O-N 2.76Å; E332-K335 PolarHBondContact O-N 3.27Å; S333-K335 VanDerWaalsContact C-N 3.34Å; S333-K335 PolarHBondContact O-N 3.44Å; K335-K337 PolarHBondContact O-N 3.47Å; K335-V338 PolarHBondContact O-N 2.96Å; K335-Q339 PolarHBondContact O-N 3.32Å; K335-A379 HydrophobicContact CG-CB 4.19Å
336S98.6Very high98.7Very high42 Ų4239.3 Ų39.329%0.29419%0.186SC..Hα-helixtrans-62.7-41.6176.4-59.10000112E332 S333 Q339 Y340E332-S336 PolarHBondContact O-N 3.43Å; E332-S336 PolarHBondContact O-OG 3.11Å; S333-S336 WeakPolarHBondContact O-CB 3.39Å; S333-S336 PolarHBondContact O-N 3.25Å; S336-Q339 PolarHBondContact O-N 3.37Å; S336-Y340 PolarHBondContact O-N 3.35Å
337K98.9Very high98.7Very high0 Ų039.5 Ų39.50%019%0.187CC..Hα-helixtrans-63.4-39.3173.7-75.6178.9176.6-178.90112.2S220 L222 M256 I258 D329 S333 V334 K335 Y340 L341S220-K337 WeakPolarHBondContact O-CE 3.35Å; S220-K337 PolarHBondContact O-NZ 3.47Å; S220-K337 PolarHBondContact OG-NZ 3.04Å; L222-K337 HydrophobicContact CD1-CG 4.23Å; L222-K337 HydrophobicContact CD2-CG 4.48Å; M256-K337 HydrophobicContact CE-CB 3.74Å; M256-K337 HydrophobicContact CE-CG 4.37Å; M256-K337 VanDerWaalsContact CE-O 3.3Å; M256-K337 WeakPolarHBondContact CE-O 3.42Å; I258-K337 HydrophobicContact CD1-CB 3.98Å; I258-K337 HydrophobicContact CG1-CB 4.49Å; I258-K337 HydrophobicContact CG1-CD 4.32Å; I258-K337 HydrophobicContact CG2-CD 4.36Å; D329-K337 VanDerWaalsContact OD1-CE 3.27Å; D329-K337 WeakPolarHBondContact OD1-CE 3.48Å; D329-K337 IonicContact OD1-NZ 2.73Å; D329-K337 PolarHBondContact OD1-NZ 2.82Å; D329-K337 IonicContact OD2-NZ 2.62Å; D329-K337 PolarHBondContact OD2-NZ 3.22Å; S333-K337 WeakPolarHBondContact O-CG 3.44Å; S333-K337 PolarHBondContact O-N 3.34Å; V334-K337 PolarHBondContact O-N 3.29Å; K335-K337 PolarHBondContact O-N 3.47Å; K337-Y340 WeakPolarHBondContact O-CB 3.35Å; K337-Y340 PolarHBondContact O-N 3.09Å; K337-L341 PolarHBondContact O-N 3.32Å
338V98.9Very high98.7Very high0 Ų039.5 Ų39.50%019%0.187CC..Hα-helixtrans-67.4-39.8174.7172.60000111.8I258 V334 K335 Y340 L341 K342 I376 A379 L380I258-V338 HydrophobicContact CD1-CG2 4.29Å; V334-V338 WeakPolarHBondContact O-CG2 3.21Å; V334-V338 PolarHBondContact O-N 3.32Å; K335-V338 PolarHBondContact O-N 2.96Å; V338-Y340 VanDerWaalsContact C-N 3.32Å; V338-Y340 PolarHBondContact O-N 3.09Å; V338-L341 HydrophobicContact CB-CD2 4.47Å; V338-L341 HydrophobicContact CG2-CD2 4.22Å; V338-L341 WeakPolarHBondContact O-CG 3.26Å; V338-L341 PolarHBondContact O-N 3.16Å; V338-K342 HydrophobicContact CG1-CD 4.05Å; V338-K342 HydrophobicContact CG1-CG 4.43Å; V338-K342 VanDerWaalsContact O-CG 3.26Å; V338-K342 WeakPolarHBondContact O-CG 3.27Å; V338-K342 PolarHBondContact O-N 2.68Å; V338-K342 VanDerWaalsContact O-N 3.09Å; V338-I376 HydrophobicContact CG2-CB 4.25Å; V338-I376 HydrophobicContact CG2-CG1 4.29Å; V338-I376 HydrophobicContact CG2-CG2 3.83Å; V338-A379 HydrophobicContact CB-CB 3.76Å; V338-A379 VanDerWaalsContact CG1-C 3.47Å; V338-A379 HydrophobicContact CG1-CB 3.5Å; V338-A379 HydrophobicContact CG2-CB 4.23Å; V338-L380 HydrophobicContact CG1-CB 4.47Å; V338-L380 HydrophobicContact CG1-CD2 3.67Å; V338-L380 HydrophobicContact CG1-CG 3.83Å; V338-L380 HydrophobicContact CG2-CG 4.42Å
339Q98.7Very high98.7Very high81 Ų8139.4 Ų39.438%0.37919%0.187SC..Hα-helixtrans-60.6-45.9173.2-171.557.445.300111K335 S336 L341 K342 D343K335-Q339 PolarHBondContact O-N 3.32Å; S336-Q339 PolarHBondContact O-N 3.37Å; Q339-L341 PolarHBondContact O-N 3.05Å; Q339-K342 WeakPolarHBondContact O-CB 3.3Å; Q339-K342 PolarHBondContact O-N 3.4Å; Q339-D343 PolarHBondContact NE2-OD1 3.5Å; Q339-D343 PolarHBondContact O-N 2.97Å
340Y98.8Very high98.7Very high16 Ų1639.3 Ų39.36%0.06319%0.186CC..Hα-helixtrans-56.7-46.7176.5169.9-93.5000113.2L222 F223 D238 V241 M256 S336 K337 V338 K342 D343 R344L222-Y340 HydrophobicContact CD1-CD1 3.75Å; L222-Y340 HydrophobicContact CD1-CD2 4.17Å; L222-Y340 HydrophobicContact CD1-CE1 4.27Å; L222-Y340 HydrophobicContact CD1-CG 3.71Å; L222-Y340 HydrophobicContact CD2-CG 4.48Å; F223-Y340 HydrophobicContact CE1-CD2 4.05Å; F223-Y340 AromaticContact CE1-CE2 4Å; F223-Y340 HydrophobicContact CE1-CE2 4Å; F223-Y340 AromaticContact CZ-CD2 3.99Å; F223-Y340 HydrophobicContact CZ-CD2 3.99Å; F223-Y340 HydrophobicContact CZ-CE2 4.41Å; D238-Y340 WeakPolarHBondContact CA-OH 3.27Å; D238-Y340 HydrophobicContact CB-CE2 4.22Å; D238-Y340 WeakPolarHBondContact OD1-CE2 3.4Å; D238-Y340 PolarHBondContact OD1-OH 3.35Å; V241-Y340 HydrophobicContact CB-CE1 4.43Å; V241-Y340 HydrophobicContact CG1-CE1 4.32Å; V241-Y340 HydrophobicContact CG2-CE1 4.39Å; M256-Y340 HydrophobicContact CE-CD1 4.28Å; M256-Y340 HydrophobicContact SD-CD1 3.73Å; M256-Y340 HydrophobicContact SD-CE1 3.84Å; S336-Y340 PolarHBondContact O-N 3.35Å; K337-Y340 WeakPolarHBondContact O-CB 3.35Å; K337-Y340 PolarHBondContact O-N 3.09Å; V338-Y340 VanDerWaalsContact C-N 3.32Å; V338-Y340 PolarHBondContact O-N 3.09Å; Y340-K342 VanDerWaalsContact C-N 3.27Å; Y340-K342 PolarHBondContact O-N 3.33Å; Y340-D343 PolarHBondContact O-N 2.95Å; Y340-R344 HydrophobicContact CD1-CG 4.46Å; Y340-R344 HydrophobicContact CD2-CG 4.38Å; Y340-R344 HydrophobicContact CE1-CG 3.96Å; Y340-R344 HydrophobicContact CE2-CG 3.87Å; Y340-R344 WeakPolarHBondContact O-CB 3.33Å; Y340-R344 WeakPolarHBondContact O-CG 3.5Å; Y340-R344 PolarHBondContact O-N 2.51Å; Y340-R344 PolarHBondContact OH-NE 3.48Å
341L98.6Very high98.7Very high0 Ų038.3 Ų38.30%018%0.181CC..Hα-helixtrans-67.9-30.4-178.976.783.6000111.9Y22 M256 K337 V338 Q339 R344 Q345 L346 A349 L380Y22-L341 HydrophobicContact CD1-CD1 4.12Å; Y22-L341 HydrophobicContact CE1-CD1 4.15Å; M256-L341 HydrophobicContact CE-CB 4.03Å; M256-L341 HydrophobicContact CE-CD2 3.98Å; M256-L341 HydrophobicContact SD-CB 4.24Å; K337-L341 PolarHBondContact O-N 3.32Å; V338-L341 HydrophobicContact CB-CD2 4.47Å; V338-L341 HydrophobicContact CG2-CD2 4.22Å; V338-L341 WeakPolarHBondContact O-CG 3.26Å; V338-L341 PolarHBondContact O-N 3.16Å; Q339-L341 PolarHBondContact O-N 3.05Å; L341-R344 CarbonylContact O-C 3.49Å; L341-R344 PolarHBondContact O-N 3.49Å; L341-Q345 PolarHBondContact O-N 3.24Å; L341-Q345 VanDerWaalsContact O-N 3.16Å; L341-L346 HydrophobicContact CB-CB 4.15Å; L341-L346 HydrophobicContact CB-CD1 3.88Å; L341-L346 HydrophobicContact CB-CG 4.16Å; L341-L346 HydrophobicContact CD1-CB 4.48Å; L341-L346 PolarHBondContact O-N 3.38Å; L341-A349 HydrophobicContact CD2-CB 3.87Å; L341-L380 HydrophobicContact CD1-CD2 3.78Å; L341-L380 HydrophobicContact CD2-CD2 4.39Å
342K98.5Very high98.7Very high20 Ų2038.2 Ų38.29%0.08718%0.179CC..Hα-helixtrans-67.6-46.4174.2-70.6169.958.6-167.50110.9Y22 V338 Q339 Y340 R344 Q345 A382 T383Y22-K342 HydrophobicContact CE1-CG 4.29Å; Y22-K342 HydrophobicContact CE2-CD 4.45Å; Y22-K342 HydrophobicContact CE2-CG 3.83Å; V338-K342 HydrophobicContact CG1-CD 4.05Å; V338-K342 HydrophobicContact CG1-CG 4.43Å; V338-K342 VanDerWaalsContact O-CG 3.26Å; V338-K342 WeakPolarHBondContact O-CG 3.27Å; V338-K342 PolarHBondContact O-N 2.68Å; V338-K342 VanDerWaalsContact O-N 3.09Å; Q339-K342 WeakPolarHBondContact O-CB 3.3Å; Q339-K342 PolarHBondContact O-N 3.4Å; Y340-K342 VanDerWaalsContact C-N 3.27Å; Y340-K342 PolarHBondContact O-N 3.33Å; K342-R344 PolarHBondContact O-N 3.39Å; K342-Q345 WeakPolarHBondContact O-CA 3.36Å; K342-Q345 PolarHBondContact O-N 2.91Å; K342-A382 WeakPolarHBondContact CE-O 3.31Å; K342-A382 PolarHBondContact NZ-O 3.43Å; K342-T383 PolarHBondContact NZ-OXT 3.11Å
343D98.2Very high98.7Very high113 Ų11333 Ų3360%0.60415%0.154SC*.Hα-helixtrans-61-32176.9-62.3-19.2000111.8Q339 Y340 Q345Q339-D343 PolarHBondContact NE2-OD1 3.5Å; Q339-D343 PolarHBondContact O-N 2.97Å; Y340-D343 PolarHBondContact O-N 2.95Å; D343-Q345 VanDerWaalsContact C-N 3.32Å
344R98.3Very high98.7Very high105 Ų10532.9 Ų32.940%0.39615%0.154SC..THydrogen-bonded Turntrans-83.5-0.7173.6-69.2-67.2-162.4-175.5-0.8114.3D238 Y340 L341 K342 L346D238-R344 IonicContact OD1-CZ 3.17Å; D238-R344 IonicContact OD1-NE 3.84Å; D238-R344 IonicContact OD1-NH2 3.74Å; D238-R344 PolarHBondContact OD1-NH2 3.12Å; Y340-R344 HydrophobicContact CD1-CG 4.46Å; Y340-R344 HydrophobicContact CD2-CG 4.38Å; Y340-R344 HydrophobicContact CE1-CG 3.96Å; Y340-R344 HydrophobicContact CE2-CG 3.87Å; Y340-R344 WeakPolarHBondContact O-CB 3.33Å; Y340-R344 WeakPolarHBondContact O-CG 3.5Å; Y340-R344 PolarHBondContact O-N 2.51Å; Y340-R344 PolarHBondContact OH-NE 3.48Å; L341-R344 CarbonylContact O-C 3.49Å; L341-R344 PolarHBondContact O-N 3.49Å; K342-R344 PolarHBondContact O-N 3.39Å; R344-L346 HydrophobicContact CB-CD1 4.49Å; R344-L346 HydrophobicContact CB-CD2 3.9Å; R344-L346 HydrophobicContact CB-CG 3.8Å; R344-L346 PolarHBondContact O-N 2.98Å
345Q98Very high98.7Very high152 Ų15232.9 Ų32.971%0.7115%0.154SC*.THydrogen-bonded Turntrans53.136.7-177.9-57-179.6-44.600113.3A251 L341 K342 D343A251-Q345 WeakPolarHBondContact CB-O 3.19Å; L341-Q345 PolarHBondContact O-N 3.24Å; L341-Q345 VanDerWaalsContact O-N 3.16Å; K342-Q345 WeakPolarHBondContact O-CA 3.36Å; K342-Q345 PolarHBondContact O-N 2.91Å; D343-Q345 VanDerWaalsContact C-N 3.32Å
346L98.8Very high98.7Very high1 Ų128.3 Ų28.31%0.00513%0.134CC..  trans-69.4164.2178.4-58.5-165.8000111.2Y22 V241 L245 A251 L254 M256 L341 R344 G348Y22-L346 WeakPolarHBondContact CD1-O 3.29Å; Y22-L346 VanDerWaalsContact CE1-O 3.22Å; Y22-L346 WeakPolarHBondContact CE1-O 3.49Å; V241-L346 HydrophobicContact CG1-CD1 3.79Å; V241-L346 HydrophobicContact CG1-CD2 4.05Å; V241-L346 HydrophobicContact CG1-CG 4.49Å; V241-L346 HydrophobicContact CG2-CD1 4.26Å; L245-L346 HydrophobicContact CD1-CD2 4.31Å; L245-L346 HydrophobicContact CD2-CD2 4.34Å; A251-L346 HydrophobicContact CB-CD2 4.19Å; A251-L346 CarbonylContact O-C 3.58Å; A251-L346 WeakPolarHBondContact O-CA 3.32Å; L254-L346 HydrophobicContact CB-CD2 4.46Å; L254-L346 HydrophobicContact CD2-CD2 4.29Å; L254-L346 WeakPolarHBondContact O-CB 3.41Å; M256-L346 HydrophobicContact CB-CD1 3.95Å; M256-L346 HydrophobicContact SD-CD1 4.4Å; L341-L346 HydrophobicContact CB-CB 4.15Å; L341-L346 HydrophobicContact CB-CD1 3.88Å; L341-L346 HydrophobicContact CB-CG 4.16Å; L341-L346 HydrophobicContact CD1-CB 4.48Å; L341-L346 PolarHBondContact O-N 3.38Å; R344-L346 HydrophobicContact CB-CD1 4.49Å; R344-L346 HydrophobicContact CB-CD2 3.9Å; R344-L346 HydrophobicContact CB-CG 3.8Å; R344-L346 PolarHBondContact O-N 2.98Å; L346-G348 PolarHBondContact O-N 3.27Å
347A98.6Very high98.7Very high5 Ų526.3 Ų26.34%0.04112%0.12CC..SBendtrans-65.9-20.8178.800000113.1Y22 K23 A251 S252 L254 V255Y22-A347 CarbonylContact C-O 3.49Å; Y22-A347 WeakPolarHBondContact CA-O 3.29Å; K23-A347 PolarHBondContact N-O 2.77Å; A251-A347 PolarHBondContact O-N 2.91Å; S252-A347 WeakPolarHBondContact O-CB 3.11Å; L254-A347 VanDerWaalsContact O-CB 3.25Å; L254-A347 WeakPolarHBondContact O-CB 3.37Å; L254-A347 PolarHBondContact O-N 2.81Å; V255-A347 HydrophobicContact CG2-CB 3.82Å
348G98.8Very high98.7Very high0 Ų026.4 Ų26.40%012%0.121CC..EExtended strand (participates in β ladder)trans144.5-154.5178.600000113.1K23 M256 L346K23-G348 CarbonylContact O-C 3.52Å; K23-G348 VanDerWaalsContact O-CA 3.23Å; K23-G348 WeakPolarHBondContact O-CA 3.26Å; M256-G348 PolarHBondContact N-O 3.24Å; L346-G348 PolarHBondContact O-N 3.27Å
349A98.9Very high98.7Very high0 Ų026.5 Ų26.50%012%0.121CC..EExtended strand (participates in β ladder)trans-112.9146-178.300000112.3K23 L24 V25 V255 M256 I258 L341 I376 L380K23-A349 PolarHBondContact O-N 3.32Å; L24-A349 WeakPolarHBondContact CA-O 3.28Å; L24-A349 HydrophobicContact CD1-CB 4.25Å; V25-A349 PolarHBondContact N-O 3.46Å; V255-A349 VanDerWaalsContact CG1-O 3.3Å; V255-A349 WeakPolarHBondContact CG1-O 3.47Å; M256-A349 CarbonylContact O-C 3.32Å; M256-A349 WeakPolarHBondContact O-CA 3.44Å; I258-A349 HydrophobicContact CD1-CB 4.07Å; L341-A349 HydrophobicContact CD2-CB 3.87Å; A349-I376 HydrophobicContact CB-CG2 3.7Å; A349-L380 HydrophobicContact CB-CD1 4.31Å
350M98.9Very high98.6Very high0 Ų026 Ų260%012%0.119CC..EExtended strand (participates in β ladder)trans-113.4135.6170.8173.2-87.8-81.200108.3V25 Y27 M204 Y206 V255 M256 G257 I258 W352V25-M350 HydrophobicContact CB-CB 4.43Å; V25-M350 CarbonylContact O-C 3.47Å; V25-M350 WeakPolarHBondContact O-CA 3.43Å; Y27-M350 HydrophobicContact CD2-CG 3.85Å; Y27-M350 HydrophobicContact CD2-SD 3.87Å; Y27-M350 HydrophobicContact CE2-CE 4.43Å; Y27-M350 HydrophobicContact CE2-CG 3.53Å; Y27-M350 HydrophobicContact CE2-SD 3.81Å; M204-M350 HydrophobicContact CG-CE 4.07Å; Y206-M350 HydrophobicContact CE1-CE 3.84Å; Y206-M350 HydrophobicContact CE1-SD 4.17Å; Y206-M350 WeakPolarHBondContact OH-CE 3.46Å; V255-M350 HydrophobicContact CG1-CB 3.65Å; M256-M350 PolarHBondContact O-N 3.1Å; G257-M350 CarbonylContact C-O 3.59Å; G257-M350 WeakPolarHBondContact CA-O 3.34Å; I258-M350 PolarHBondContact N-O 2.96Å; M350-W352 HydrophobicContact SD-CB 4.22Å
351V98.9Very high98.6Very high0 Ų025.4 Ų25.40%012%0.117CC..EExtended strand (participates in β ladder)trans-114121.7-179.1176.10000109.7L24 V25 Y27 I258 T260 T373 I376L24-V351 HydrophobicContact CD1-CG2 3.86Å; V25-V351 PolarHBondContact O-N 3.21Å; Y27-V351 PolarHBondContact N-O 3.19Å; I258-V351 WeakPolarHBondContact O-CA 3.2Å; T260-V351 HydrophobicContact CG2-CG1 3.68Å; V351-T373 HydrophobicContact CG2-CG2 4.37Å; V351-I376 HydrophobicContact CG2-CD1 3.67Å
352W98.9Very high98.5Very high47 Ų4728.6 Ų28.618%0.17814%0.14CC..EExtended strand (participates in β ladder)trans-115.6104.8167.7-175.1-82.6000109.1Y27 T29 W31 F58 Y206 I258 P259 T260 F261 M350Y27-W352 AromaticContact CD1-CE3 3.88Å; Y27-W352 HydrophobicContact CD1-CE3 3.88Å; Y27-W352 AromaticContact CD1-CZ3 3.6Å; Y27-W352 HydrophobicContact CD1-CZ3 3.6Å; Y27-W352 AromaticContact CD2-CE3 3.93Å; Y27-W352 HydrophobicContact CD2-CE3 3.93Å; Y27-W352 HydrophobicContact CD2-CZ3 4.48Å; Y27-W352 HydrophobicContact CE1-CZ3 4.23Å; Y27-W352 AromaticContact CG-CE3 3.52Å; Y27-W352 HydrophobicContact CG-CE3 3.52Å; Y27-W352 AromaticContact CG-CZ3 3.73Å; Y27-W352 HydrophobicContact CG-CZ3 3.73Å; T29-W352 HydrophobicContact CG2-CH2 4.01Å; T29-W352 HydrophobicContact CG2-CZ2 4.02Å; W31-W352 HydrophobicContact CH2-CH2 4.13Å; W31-W352 HydrophobicContact CH2-CZ2 4.22Å; W31-W352 HydrophobicContact CZ2-CZ2 4.25Å; F58-W352 AromaticContact CE2-CH2 3.77Å; F58-W352 HydrophobicContact CE2-CH2 3.77Å; F58-W352 AromaticContact CZ-CH2 3.5Å; F58-W352 HydrophobicContact CZ-CH2 3.5Å; F58-W352 AromaticContact CZ-CZ3 3.85Å; F58-W352 HydrophobicContact CZ-CZ3 3.85Å; Y206-W352 HydrophobicContact CE1-CB 3.9Å; Y206-W352 HydrophobicContact CE2-CB 4.41Å; Y206-W352 HydrophobicContact CE2-CG 4.42Å; Y206-W352 WeakPolarHBondContact OH-CB 3.44Å; I258-W352 PolarHBondContact O-N 3.19Å; P259-W352 CarbonylContact C-O 3.42Å; P259-W352 WeakPolarHBondContact CA-O 3.43Å; T260-W352 PolarHBondContact N-O 3.4Å; T260-W352 PolarHBondContact OG1-O 3.19Å; F261-W352 AromaticContact CD1-CD1 3.99Å; F261-W352 AromaticContact CE1-CD1 3.62Å; M350-W352 HydrophobicContact SD-CB 4.22Å
353A98.8Very high98.4Very high0 Ų028.6 Ų28.60%014%0.14CC..  cis-140.7163.5-4.800000110.9Y27 T29 T260 D355 L356 D357Y27-A353 WeakPolarHBondContact O-CB 3.33Å; T29-A353 HydrophobicContact CG2-CB 4.23Å; T260-A353 PolarHBondContact OG1-N 3.25Å; T260-A353 PolarHBondContact OG1-O 2.92Å; A353-D355 PolarHBondContact O-N 2.83Å; A353-L356 HydrophobicContact CB-CD1 4.38Å; A353-L356 PolarHBondContact O-N 3.15Å; A353-D357 PolarHBondContact O-N 3.02Å
354L98.9Very high98.3Very high0 Ų024.6 Ų24.60%012%0.121CC..G310 helixtrans-55.6-41.4-178.1-71.9174.5000112.6C26 Y27 I46 L50 V54 L356 D357 F370 T373C26-L354 HydrophobicContact CB-CD1 3.69Å; C26-L354 HydrophobicContact CB-CD2 3.74Å; C26-L354 HydrophobicContact CB-CG 3.66Å; Y27-L354 WeakPolarHBondContact O-CG 3.47Å; Y27-L354 PolarHBondContact O-N 3.36Å; I46-L354 HydrophobicContact CD1-CD1 3.82Å; I46-L354 HydrophobicContact CG1-CD1 4.05Å; I46-L354 HydrophobicContact CG2-CD1 3.93Å; L50-L354 HydrophobicContact CD2-CD2 3.82Å; V54-L354 HydrophobicContact CG1-CD1 4.28Å; V54-L354 HydrophobicContact CG2-CD1 4.43Å; L354-L356 PolarHBondContact O-N 2.91Å; L354-D357 PolarHBondContact O-N 2.91Å; L354-F370 HydrophobicContact CB-CE1 4.15Å; L354-F370 HydrophobicContact CD2-CD1 4.16Å; L354-F370 HydrophobicContact CD2-CE1 4.17Å; L354-T373 HydrophobicContact CD2-CG2 4.12Å
355D98.9Very high97.9Very high0 Ų022.8 Ų22.80%014%0.135CC..G310 helixtrans-74.2-2.5-179.562.3-100.5000114.2T29 S32 R35 C41 Y297 A353T29-D355 WeakPolarHBondContact CB-OD1 3.41Å; T29-D355 PolarHBondContact N-OD1 3.42Å; T29-D355 PolarHBondContact OG1-OD1 2.57Å; T29-D355 PolarHBondContact OG1-OD2 3.27Å; T29-D355 VanDerWaalsContact OG1-OD2 3.12Å; S32-D355 VanDerWaalsContact CB-CB 3.48Å; S32-D355 VanDerWaalsContact CB-CG 3.45Å; R35-D355 IonicContact CZ-OD2 3.51Å; R35-D355 VanDerWaalsContact CZ-OD2 3.24Å; R35-D355 PolarHBondContact NH1-O 3.03Å; R35-D355 IonicContact NH1-OD2 2.95Å; R35-D355 PolarHBondContact NH1-OD2 3.49Å; R35-D355 IonicContact NH2-OD2 2.81Å; R35-D355 PolarHBondContact NH2-OD2 2.83Å; C41-D355 HydrophobicContact CB-CB 3.72Å; Y297-D355 WeakPolarHBondContact CE1-O 3.46Å; A353-D355 PolarHBondContact O-N 2.83Å
356L98.9Very high97.5Very high12 Ų1220.5 Ų20.56%0.06312%0.124CC..G310 helixtrans-105.5-15.2174.2-61.3173.4000112.5R35 T260 F261 T288 A295 Y296 A353 L354R35-L356 VanDerWaalsContact NH2-CD2 3.35Å; T260-L356 CarbonylContact O-C 3.5Å; T260-L356 WeakPolarHBondContact O-CB 3.12Å; F261-L356 HydrophobicContact CB-CB 4.47Å; F261-L356 HydrophobicContact CB-CD1 3.95Å; F261-L356 HydrophobicContact CD1-CD1 4.17Å; F261-L356 HydrophobicContact CG-CD1 4.29Å; T288-L356 HydrophobicContact CG2-CD2 3.91Å; A295-L356 HydrophobicContact CB-CB 4.22Å; A295-L356 HydrophobicContact CB-CD2 3.72Å; Y296-L356 WeakPolarHBondContact CB-O 3.11Å; Y296-L356 PolarHBondContact N-O 2.99Å; A353-L356 HydrophobicContact CB-CD1 4.38Å; A353-L356 PolarHBondContact O-N 3.15Å; L354-L356 PolarHBondContact O-N 2.91Å
357D98.9Very high97.3Very high0 Ų027.6 Ų27.60%016%0.162CC..SBendtrans-71.6168167.1-158.5-5.9000110.1T260 Y297 A353 L354 F359 F370 P371 L372 T373T260-D357 HydrophobicContact CG2-CB 4.03Å; Y297-D357 WeakPolarHBondContact CD1-O 3.29Å; A353-D357 PolarHBondContact O-N 3.02Å; L354-D357 PolarHBondContact O-N 2.91Å; D357-F359 WeakPolarHBondContact O-CD1 3.09Å; D357-F359 PolarHBondContact O-N 3.41Å; D357-F370 HydrophobicContact CB-CD1 4.24Å; D357-F370 VanDerWaalsContact OD2-CA 3.23Å; D357-F370 WeakPolarHBondContact OD2-CA 3.37Å; D357-P371 WeakPolarHBondContact OD1-CD 3.3Å; D357-L372 PolarHBondContact OD1-N 2.92Å; D357-L372 PolarHBondContact OD2-N 3.04Å; D357-T373 WeakPolarHBondContact OD2-CB 3.39Å; D357-T373 PolarHBondContact OD2-N 2.72Å; D357-T373 PolarHBondContact OD2-OG1 2.86Å
358D98.7Very high97.3Very high2 Ų230.6 Ų30.61%0.01118%0.177CC..  trans-75.370.8172.5-175.26.3000110.5Q360 G361 S362 F363 C364 R369 F370 P371D358-Q360 PolarHBondContact O-N 3.32Å; D358-G361 PolarHBondContact O-N 2.65Å; D358-G361 VanDerWaalsContact O-N 3.17Å; D358-G361 WeakPolarHBondContact OD1-CA 3.5Å; D358-G361 PolarHBondContact OD1-N 3.01Å; D358-S362 PolarHBondContact OD1-N 2.82Å; D358-F363 WeakPolarHBondContact OD1-CD2 3.26Å; D358-F363 PolarHBondContact OD2-N 3Å; D358-C364 WeakPolarHBondContact OD2-CB 3.43Å; D358-C364 PolarHBondContact OD2-N 2.94Å; D358-C364 PolarHBondContact OD2-SG 2.9Å; D358-R369 CarbonylContact O-C 3.49Å; D358-F370 PolarHBondContact O-N 3.1Å; D358-P371 HydrophobicContact CB-CG 3.83Å; D358-P371 WeakPolarHBondContact O-CD 3.4Å
359F98.6Very high97.3Very high2 Ų235.2 Ų35.21%0.00919%0.194CC..SBendtrans-67.6-19.4-17766.9-92.5000113.1D38 C41 A45 Y297 D357 R369 F370D38-F359 VanDerWaalsContact O-CZ 3.27Å; D38-F359 WeakPolarHBondContact O-CZ 3.4Å; C41-F359 HydrophobicContact CB-CD2 4.47Å; C41-F359 HydrophobicContact CB-CE1 3.99Å; C41-F359 HydrophobicContact CB-CE2 3.92Å; C41-F359 HydrophobicContact CB-CZ 3.67Å; A45-F359 HydrophobicContact CB-CD2 4.37Å; Y297-F359 HydrophobicContact CE1-CE1 4.25Å; D357-F359 WeakPolarHBondContact O-CD1 3.09Å; D357-F359 PolarHBondContact O-N 3.41Å; F359-R369 VanDerWaalsContact O-CZ 3.25Å; F359-R369 PolarHBondContact O-NE 3.44Å; F359-R369 PolarHBondContact O-NH2 2.95Å; F359-F370 HydrophobicContact CB-CD1 3.81Å; F359-F370 HydrophobicContact CB-CE1 3.23Å; F359-F370 HydrophobicContact CB-CE2 4.08Å; F359-F370 HydrophobicContact CB-CG 4.45Å; F359-F370 HydrophobicContact CB-CZ 3.39Å
360Q97.6Very high97.2Very high71 Ų7135.3 Ų35.333%0.33220%0.195SC..SBendtrans-83.1-31.4173.4-61.1-68.434.200111.7D38 D358 S362 F363D38-Q360 HydrophobicContact CB-CG 4.5Å; D38-Q360 PolarHBondContact O-NE2 3.44Å; D358-Q360 PolarHBondContact O-N 3.32Å; Q360-S362 VanDerWaalsContact C-N 3.3Å; Q360-F363 HydrophobicContact CB-CE2 4.4Å; Q360-F363 HydrophobicContact CG-CE2 4.38Å
361G97.4Very high97.2Very high3 Ų335.3 Ų35.33%0.03120%0.195CC..SBendtrans825.1-177.700000114.1D358 D367 L368D358-G361 PolarHBondContact O-N 2.65Å; D358-G361 VanDerWaalsContact O-N 3.17Å; D358-G361 WeakPolarHBondContact OD1-CA 3.5Å; D358-G361 PolarHBondContact OD1-N 3.01Å; G361-D367 WeakPolarHBondContact O-CA 3.11Å; G361-D367 PolarHBondContact O-N 3.3Å; G361-L368 VanDerWaalsContact CA-O 3.31Å; G361-L368 WeakPolarHBondContact CA-O 3.5Å
362S96.8Very high97.2Very high68 Ų6835.3 Ų35.348%0.47620%0.195SC..  trans-101.9-11.9-171.556.40000114.2D358 Q360D358-S362 PolarHBondContact OD1-N 2.82Å; Q360-S362 VanDerWaalsContact C-N 3.3Å
363F97Very high97.2Very high19 Ų1933.1 Ų33.18%0.08319%0.186CC..SBendtrans-90.3-40-173.2-71.4-93.7000112.5D38 F287 Y297 R304 D358 Q360D38-F363 HydrophobicContact CB-CE2 3.9Å; D38-F363 HydrophobicContact CB-CZ 3.7Å; F287-F363 AromaticContact CE2-CE1 3.63Å; F287-F363 HydrophobicContact CE2-CE1 3.63Å; F287-F363 HydrophobicContact CE2-CZ 4Å; F287-F363 AromaticContact CZ-CE1 3.82Å; F287-F363 HydrophobicContact CZ-CE1 3.82Å; F287-F363 AromaticContact CZ-CZ 3.91Å; F287-F363 HydrophobicContact CZ-CZ 3.91Å; Y297-F363 HydrophobicContact CD2-CD1 4.37Å; Y297-F363 HydrophobicContact CD2-CE1 4.23Å; Y297-F363 HydrophobicContact CD2-CE2 4.38Å; Y297-F363 HydrophobicContact CD2-CZ 4.21Å; Y297-F363 HydrophobicContact CG-CD2 4.42Å; R304-F363 PolarHBondContact NH2-O 3.03Å; D358-F363 WeakPolarHBondContact OD1-CD2 3.26Å; D358-F363 PolarHBondContact OD2-N 3Å; Q360-F363 HydrophobicContact CB-CE2 4.4Å; Q360-F363 HydrophobicContact CG-CE2 4.38Å
364C96.6Very high97.2Very high29 Ų2934.3 Ų34.320%0.19619%0.193CC..SBendtrans-89.31.6-173.3-57.90000114.1C300 D358 Q366C300-C364 HydrophobicContact CB-CB 3.9Å; C300-C364 WeakPolarHBondContact CB-SG 3.43Å; C300-C364 WeakPolarHBondContact SG-CB 3.34Å; C300-C364 CovalentContact SG-SG 2.04Å; C300-C364 PolarHBondContact SG-SG 3.36Å; D358-C364 WeakPolarHBondContact OD2-CB 3.43Å; D358-C364 PolarHBondContact OD2-N 2.94Å; D358-C364 PolarHBondContact OD2-SG 2.9Å; C364-Q366 PolarHBondContact O-N 3.06Å
365G89.6Confident97.2Very high67 Ų6734.6 Ų34.669%0.69120%0.195SC*.SBendtrans78.912.7167.900000116.2
366Q89.4Confident97.2Very high105 Ų10534.6 Ų34.649%0.49120%0.195SC..SBendtrans-108.4-3.1-178.7-63.1177.4-5.900113.5C364 L368C364-Q366 PolarHBondContact O-N 3.06Å; Q366-L368 HydrophobicContact CB-CB 3.99Å; Q366-L368 PolarHBondContact O-N 3.03Å
367D94.9Very high97.2Very high150 Ų15037.4 Ų37.480%0.80221%0.207SC*.  trans51.227.1-168.9-60-44.2000112.9G361G361-D367 WeakPolarHBondContact O-CA 3.11Å; G361-D367 PolarHBondContact O-N 3.3Å
368L97.1Very high97.2Very high67 Ų6742.1 Ų42.135%0.35123%0.232SC..  trans-108.9113.7-176.917863.1000109.4G361 Q366 P371G361-L368 VanDerWaalsContact CA-O 3.31Å; G361-L368 WeakPolarHBondContact CA-O 3.5Å; Q366-L368 HydrophobicContact CB-CB 3.99Å; Q366-L368 PolarHBondContact O-N 3.03Å; L368-P371 HydrophobicContact CD2-CB 4.1Å; L368-P371 HydrophobicContact CG-CB 4.37Å; L368-P371 WeakPolarHBondContact O-CD 3.26Å
369R98.5Very high97.2Very high98 Ų9842.8 Ų42.837%0.3724%0.238SC..SBendtrans-70.9141.2174.2-55.7-175.169.9-153.1-5.1110.5A45 D358 F359 N374A45-R369 PolarHBondContact O-NH1 3.08Å; A45-R369 PolarHBondContact O-NH2 2.63Å; D358-R369 CarbonylContact O-C 3.49Å; F359-R369 VanDerWaalsContact O-CZ 3.25Å; F359-R369 PolarHBondContact O-NE 3.44Å; F359-R369 PolarHBondContact O-NH2 2.95Å; R369-N374 PolarHBondContact O-ND2 2.88Å
370F98.7Very high97.1Very high1 Ų143.6 Ų43.60%0.00424%0.242CC..SBendtrans50.754179.7-54.5-84.6000113.3L50 L354 D357 D358 F359 L372 T373 N374L50-F370 HydrophobicContact CD1-CB 4.37Å; L50-F370 HydrophobicContact CD2-CB 3.71Å; L50-F370 HydrophobicContact CD2-CD1 3.8Å; L50-F370 HydrophobicContact CD2-CD2 3.83Å; L50-F370 HydrophobicContact CD2-CE1 4.34Å; L50-F370 HydrophobicContact CD2-CE2 4.38Å; L50-F370 HydrophobicContact CD2-CG 3.51Å; L354-F370 HydrophobicContact CB-CE1 4.15Å; L354-F370 HydrophobicContact CD2-CD1 4.16Å; L354-F370 HydrophobicContact CD2-CE1 4.17Å; D357-F370 HydrophobicContact CB-CD1 4.24Å; D357-F370 VanDerWaalsContact OD2-CA 3.23Å; D357-F370 WeakPolarHBondContact OD2-CA 3.37Å; D358-F370 PolarHBondContact O-N 3.1Å; F359-F370 HydrophobicContact CB-CD1 3.81Å; F359-F370 HydrophobicContact CB-CE1 3.23Å; F359-F370 HydrophobicContact CB-CE2 4.08Å; F359-F370 HydrophobicContact CB-CG 4.45Å; F359-F370 HydrophobicContact CB-CZ 3.39Å; F370-L372 VanDerWaalsContact C-N 3.29Å; F370-L372 PolarHBondContact O-N 2.56Å; F370-T373 PolarHBondContact O-N 2.83Å; F370-N374 WeakPolarHBondContact O-CB 3.3Å; F370-N374 PolarHBondContact O-N 2.92Å; F370-N374 PolarHBondContact O-ND2 2.77Å
371P98.8Very high97Very high1 Ų144.3 Ų44.31%0.00626%0.26CS..Hα-helixtrans-60.7-34.3-17225.3-35.7000113.3Y296 Q331 D357 D358 L368 A375Y296-P371 HydrophobicContact CD1-CG 4.23Å; Y296-P371 HydrophobicContact CE1-CG 3.84Å; Q331-P371 PolarHBondContact NE2-O 3.36Å; D357-P371 WeakPolarHBondContact OD1-CD 3.3Å; D358-P371 HydrophobicContact CB-CG 3.83Å; D358-P371 WeakPolarHBondContact O-CD 3.4Å; L368-P371 HydrophobicContact CD2-CB 4.1Å; L368-P371 HydrophobicContact CG-CB 4.37Å; L368-P371 WeakPolarHBondContact O-CD 3.26Å; P371-A375 WeakPolarHBondContact O-CB 3.45Å; P371-A375 PolarHBondContact O-N 2.75Å
372L98.9Very high96.6Very high0 Ų046.8 Ų46.80%028%0.28CS..Hα-helixtrans-76.2-45.2177.2-62-171.9000111.4T260 Y296 D330 Q331 D357 F370 N374 A375 I376T260-L372 HydrophobicContact CG2-CB 4.06Å; T260-L372 HydrophobicContact CG2-CD1 3.96Å; Y296-L372 HydrophobicContact CD1-CD1 3.72Å; Y296-L372 HydrophobicContact CD1-CD2 4.3Å; Y296-L372 HydrophobicContact CD1-CG 3.67Å; Y296-L372 HydrophobicContact CD2-CD1 3.58Å; Y296-L372 HydrophobicContact CD2-CG 4.24Å; Y296-L372 HydrophobicContact CE1-CD1 4.04Å; Y296-L372 HydrophobicContact CE1-CD2 3.77Å; Y296-L372 HydrophobicContact CE1-CG 3.62Å; Y296-L372 HydrophobicContact CE2-CD1 3.91Å; Y296-L372 HydrophobicContact CE2-CD2 3.99Å; Y296-L372 HydrophobicContact CE2-CG 4.21Å; Y296-L372 HydrophobicContact CG-CD1 3.47Å; Y296-L372 VanDerWaalsContact CG-CD1 3.47Å; Y296-L372 HydrophobicContact CG-CG 3.98Å; D330-L372 VanDerWaalsContact C-CD2 3.46Å; Q331-L372 HydrophobicContact CG-CD2 4.07Å; D357-L372 PolarHBondContact OD1-N 2.92Å; D357-L372 PolarHBondContact OD2-N 3.04Å; F370-L372 VanDerWaalsContact C-N 3.29Å; F370-L372 PolarHBondContact O-N 2.56Å; L372-N374 VanDerWaalsContact C-N 3.34Å; L372-N374 PolarHBondContact O-N 3.44Å; L372-A375 WeakPolarHBondContact O-CB 3.36Å; L372-A375 PolarHBondContact O-N 3.03Å; L372-I376 WeakPolarHBondContact O-CG1 3.49Å; L372-I376 PolarHBondContact O-N 3.14Å
373T98.9Very high95.2Very high0 Ų051.7 Ų51.70%031%0.308CS..Hα-helixtrans-67.3-36.7-177.8-47.60000111.4L24 L50 V351 L354 D357 F370 I376 K377L24-T373 HydrophobicContact CD2-CG2 4.21Å; L50-T373 HydrophobicContact CD1-CG2 3.82Å; L50-T373 HydrophobicContact CD2-CG2 3.69Å; L50-T373 HydrophobicContact CG-CG2 3.61Å; V351-T373 HydrophobicContact CG2-CG2 4.37Å; L354-T373 HydrophobicContact CD2-CG2 4.12Å; D357-T373 WeakPolarHBondContact OD2-CB 3.39Å; D357-T373 PolarHBondContact OD2-N 2.72Å; D357-T373 PolarHBondContact OD2-OG1 2.86Å; F370-T373 PolarHBondContact O-N 2.83Å; T373-I376 PolarHBondContact O-N 2.97Å; T373-K377 WeakPolarHBondContact O-CB 3.47Å; T373-K377 PolarHBondContact O-N 3.02Å
374N98.7Very high95.1Very high26 Ų2653.4 Ų53.414%0.13932%0.319CS..Hα-helixtrans-65.7-42.6171-84.2-54.9000111.7L50 R369 F370 L372 I376 K377 D378L50-N374 HydrophobicContact CD1-CB 4.49Å; L50-N374 VanDerWaalsContact CD1-OD1 3.29Å; L50-N374 WeakPolarHBondContact CD1-OD1 3.32Å; R369-N374 PolarHBondContact O-ND2 2.88Å; F370-N374 WeakPolarHBondContact O-CB 3.3Å; F370-N374 PolarHBondContact O-N 2.92Å; F370-N374 PolarHBondContact O-ND2 2.77Å; L372-N374 VanDerWaalsContact C-N 3.34Å; L372-N374 PolarHBondContact O-N 3.44Å; N374-I376 PolarHBondContact O-N 3.03Å; N374-K377 WeakPolarHBondContact O-CB 3.18Å; N374-K377 PolarHBondContact O-N 2.99Å; N374-K377 VanDerWaalsContact O-N 3.14Å; N374-D378 WeakPolarHBondContact O-CB 3.36Å; N374-D378 PolarHBondContact O-N 3.06Å
375A98.8Very high95Very high6 Ų654.6 Ų54.65%0.0533%0.326CS..Hα-helixtrans-59.2-36.8174.700000112.4Q331 V334 P371 L372 A379Q331-A375 HydrophobicContact CB-CB 4.3Å; Q331-A375 HydrophobicContact CG-CB 4.11Å; V334-A375 HydrophobicContact CG2-CB 3.82Å; P371-A375 WeakPolarHBondContact O-CB 3.45Å; P371-A375 PolarHBondContact O-N 2.75Å; L372-A375 WeakPolarHBondContact O-CB 3.36Å; L372-A375 PolarHBondContact O-N 3.03Å; A375-A379 VanDerWaalsContact O-CB 3.23Å; A375-A379 WeakPolarHBondContact O-CB 3.38Å; A375-A379 PolarHBondContact O-N 2.91Å; A375-A379 VanDerWaalsContact O-N 3.08Å
376I98.9Very high95.3Very high0 Ų053.9 Ų53.90%031%0.305CS..Hα-helixtrans-65.6-50.9173.2-66.7165.7000110.7L24 I258 V334 V338 A349 V351 L372 T373 N374 D378 A379 L380L24-I376 HydrophobicContact CD1-CG2 3.65Å; L24-I376 HydrophobicContact CD2-CG2 4.45Å; I258-I376 HydrophobicContact CB-CD1 4.16Å; I258-I376 HydrophobicContact CD1-CD1 4.03Å; I258-I376 HydrophobicContact CD1-CG1 4.22Å; I258-I376 HydrophobicContact CG2-CD1 3.92Å; V334-I376 HydrophobicContact CB-CD1 4.28Å; V334-I376 HydrophobicContact CB-CG1 3.79Å; V334-I376 HydrophobicContact CG1-CD1 4.43Å; V334-I376 HydrophobicContact CG1-CG1 4.45Å; V334-I376 HydrophobicContact CG2-CG1 4Å; V338-I376 HydrophobicContact CG2-CB 4.25Å; V338-I376 HydrophobicContact CG2-CG1 4.29Å; V338-I376 HydrophobicContact CG2-CG2 3.83Å; A349-I376 HydrophobicContact CB-CG2 3.7Å; V351-I376 HydrophobicContact CG2-CD1 3.67Å; L372-I376 WeakPolarHBondContact O-CG1 3.49Å; L372-I376 PolarHBondContact O-N 3.14Å; T373-I376 PolarHBondContact O-N 2.97Å; N374-I376 PolarHBondContact O-N 3.03Å; I376-D378 VanDerWaalsContact C-N 3.34Å; I376-D378 PolarHBondContact O-N 2.98Å; I376-A379 PolarHBondContact O-N 3.18Å; I376-L380 HydrophobicContact CG2-CD1 3.89Å; I376-L380 HydrophobicContact CG2-CG 4.37Å; I376-L380 VanDerWaalsContact O-CG 3.27Å; I376-L380 WeakPolarHBondContact O-CG 3.24Å; I376-L380 PolarHBondContact O-N 3.09Å
377K98.7Very high95.6Very high70 Ų7050.9 Ų50.930%0.30430%0.295SS..Hα-helixtrans-55.1-48.9178.5177.4-174.4170.5178.70111.7L24 F49 L50 T373 N374 L380 A381L24-K377 HydrophobicContact CD2-CB 3.73Å; L24-K377 HydrophobicContact CD2-CG 4.42Å; F49-K377 WeakPolarHBondContact O-CE 3.33Å; F49-K377 PolarHBondContact O-NZ 3.21Å; L50-K377 HydrophobicContact CD1-CD 4.49Å; T373-K377 WeakPolarHBondContact O-CB 3.47Å; T373-K377 PolarHBondContact O-N 3.02Å; N374-K377 WeakPolarHBondContact O-CB 3.18Å; N374-K377 PolarHBondContact O-N 2.99Å; N374-K377 VanDerWaalsContact O-N 3.14Å; K377-L380 PolarHBondContact O-N 3.3Å; K377-A381 PolarHBondContact O-N 3.09Å; K377-A381 VanDerWaalsContact O-N 3.12Å
378D98.3Very high95.7Very high99 Ų9944.8 Ų44.853%0.52926%0.263SS..Hα-helixtrans-65.8-41.7-177.9-66.2-16.9000111N374 I376 L380 A381 A382N374-D378 WeakPolarHBondContact O-CB 3.36Å; N374-D378 PolarHBondContact O-N 3.06Å; I376-D378 VanDerWaalsContact C-N 3.34Å; I376-D378 PolarHBondContact O-N 2.98Å; D378-L380 VanDerWaalsContact C-N 3.33Å; D378-L380 PolarHBondContact O-N 3.15Å; D378-A381 PolarHBondContact O-N 3.42Å; D378-A382 WeakPolarHBondContact O-CB 3.22Å; D378-A382 PolarHBondContact O-N 2.83Å
379A98.3Very high95.6Very high16 Ų1643.3 Ų43.313%0.13226%0.257CS..Hα-helixtrans-67.5-31.1176.800000113.2K335 V338 A375 I376 A381K335-A379 HydrophobicContact CG-CB 4.19Å; V338-A379 HydrophobicContact CB-CB 3.76Å; V338-A379 VanDerWaalsContact CG1-C 3.47Å; V338-A379 HydrophobicContact CG1-CB 3.5Å; V338-A379 HydrophobicContact CG2-CB 4.23Å; A375-A379 VanDerWaalsContact O-CB 3.23Å; A375-A379 WeakPolarHBondContact O-CB 3.38Å; A375-A379 PolarHBondContact O-N 2.91Å; A375-A379 VanDerWaalsContact O-N 3.08Å; I376-A379 PolarHBondContact O-N 3.18Å; A379-A381 VanDerWaalsContact C-N 3.32Å
380L97.9Very high95.4Very high19 Ų1939.4 Ų39.410%0.09925%0.249CC..Hα-helixtrans-71-30.2174-72.9171.1000112Y22 L24 V338 L341 A349 I376 K377 D378Y22-L380 HydrophobicContact CD1-CD2 4.34Å; Y22-L380 HydrophobicContact CD2-CD2 4.13Å; Y22-L380 HydrophobicContact CG-CD2 3.83Å; L24-L380 HydrophobicContact CB-CD1 4.12Å; L24-L380 HydrophobicContact CD1-CD1 4.47Å; V338-L380 HydrophobicContact CG1-CB 4.47Å; V338-L380 HydrophobicContact CG1-CD2 3.67Å; V338-L380 HydrophobicContact CG1-CG 3.83Å; V338-L380 HydrophobicContact CG2-CG 4.42Å; L341-L380 HydrophobicContact CD1-CD2 3.78Å; L341-L380 HydrophobicContact CD2-CD2 4.39Å; A349-L380 HydrophobicContact CB-CD1 4.31Å; I376-L380 HydrophobicContact CG2-CD1 3.89Å; I376-L380 HydrophobicContact CG2-CG 4.37Å; I376-L380 VanDerWaalsContact O-CG 3.27Å; I376-L380 WeakPolarHBondContact O-CG 3.24Å; I376-L380 PolarHBondContact O-N 3.09Å; K377-L380 PolarHBondContact O-N 3.3Å; D378-L380 VanDerWaalsContact C-N 3.33Å; D378-L380 PolarHBondContact O-N 3.15Å
381A95.3Very high95.1Very high86 Ų8642.3 Ų42.371%0.71127%0.268SS*.Hα-helixtrans-83.2-27.6176.300000112.8K377 D378 A379K377-A381 PolarHBondContact O-N 3.09Å; K377-A381 VanDerWaalsContact O-N 3.12Å; D378-A381 PolarHBondContact O-N 3.42Å; A379-A381 VanDerWaalsContact C-N 3.32Å
382A89.2Confident94.8Very high55 Ų5545.8 Ų45.846%0.45529%0.29SS..  trans-68.3145.217500000111.2K342 D378K342-A382 WeakPolarHBondContact CE-O 3.31Å; K342-A382 PolarHBondContact NZ-O 3.43Å; D378-A382 WeakPolarHBondContact O-CB 3.22Å; D378-A382 PolarHBondContact O-N 2.83Å
383T66.1Low94.5Very high172 Ų17249.9 Ų49.9100%1.05532%0.316SS*.  trans-75.90178.145.90000112.8K342K342-T383 PolarHBondContact NZ-OXT 3.11Å

Retrieved 383 of 383 residues in 812.6 ms (Link to these results)

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