A0A077YX25_TRITR Loading...

Tau tubulin kinase 1

AlphaFold DB , UniProt , Accession A0A077YX25, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 340 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
1M30.1Very low66Low226 Ų22696.9 Ų96.9100%1.11356%0.558SS**  01300-62.3-126.7-74.400107V3M1-V3 PolarHBondContact O-N 2.67Å
2P35.9Very low68.6Low128 Ų12893 Ų9383%0.83154%0.537SS*.  trans-57127.8168.9-10.724.9000106.9D4P2-D4 PolarHBondContact O-N 3.3Å; P2-D4 VanDerWaalsContact O-N 3.13Å
3V37.9Very low70.7Confident122 Ų12291 Ų9174%0.73953%0.527SS*.  trans-64.9116171.7-179.20000105.4M1 T5M1-V3 PolarHBondContact O-N 2.67Å; V3-T5 WeakPolarHBondContact O-CG2 3.49Å; V3-T5 PolarHBondContact O-N 3.36Å
4D45Very low72.6Confident129 Ų12984.8 Ų84.869%0.6949%0.491SS*.  trans-64.6105.4173.5-149.1-21000106.6P2 N6P2-D4 PolarHBondContact O-N 3.3Å; P2-D4 VanDerWaalsContact O-N 3.13Å; D4-N6 PolarHBondContact O-N 3.12Å; D4-N6 PolarHBondContact OD1-ND2 2.92Å
5T54.1Low74.1Confident78 Ų7884 Ų8448%0.47948%0.484SS..  trans-87.24.1-171.645.80000112.1V3 L7V3-T5 WeakPolarHBondContact O-CG2 3.49Å; V3-T5 PolarHBondContact O-N 3.36Å; T5-L7 PolarHBondContact O-N 3.4Å
6N66Low75.5Confident66 Ų6691.3 Ų91.335%0.35351%0.508SS..  trans-78.3106.7178.3-65.4-36.7000109.9D4 L8D4-N6 PolarHBondContact O-N 3.12Å; D4-N6 PolarHBondContact OD1-ND2 2.92Å; N6-L8 VanDerWaalsContact C-N 3.28Å; N6-L8 PolarHBondContact O-N 3.09Å
7L82.5Confident76.8Confident56 Ų5689.2 Ų89.229%0.29349%0.491SS..SBendtrans-67.2-29.2176.8-70.1155.3000113.2T5 A31 Y33 V48 L50T5-L7 PolarHBondContact O-N 3.4Å; L7-A31 HydrophobicContact CD1-CB 4.23Å; L7-Y33 WeakPolarHBondContact CB-OH 3.29Å; L7-Y33 PolarHBondContact N-OH 3.3Å; L7-V48 HydrophobicContact CD1-CG1 4.09Å; L7-L50 HydrophobicContact CD1-CG 4.28Å; L7-L50 HydrophobicContact CD2-CD1 4.11Å; L7-L50 HydrophobicContact CD2-CD2 3.28Å; L7-L50 HydrophobicContact CD2-CG 3.75Å
8L90.9Very high78Confident15 Ų1585.1 Ų85.18%0.07947%0.467CS..SBendtrans-135.6131-179.3-59.8173.3000109.6N6 T12 V14 V20 Y33 M46 V48 Y88N6-L8 VanDerWaalsContact C-N 3.28Å; N6-L8 PolarHBondContact O-N 3.09Å; L8-T12 HydrophobicContact CD2-CG2 4.3Å; L8-V14 HydrophobicContact CD1-CG2 3.88Å; L8-V20 HydrophobicContact CB-CG2 4.13Å; L8-V20 HydrophobicContact CD1-CG2 4.23Å; L8-Y33 HydrophobicContact CB-CE1 4.17Å; L8-Y33 HydrophobicContact CB-CE2 4.34Å; L8-Y33 HydrophobicContact CD1-CD2 4.35Å; L8-Y33 HydrophobicContact CD1-CE2 4.14Å; L8-Y33 HydrophobicContact CG-CE2 4.4Å; L8-Y33 PolarHBondContact N-OH 3.38Å; L8-Y33 WeakPolarHBondContact O-CE1 3.49Å; L8-M46 HydrophobicContact CD1-SD 4.14Å; L8-V48 HydrophobicContact CD1-CG2 4.08Å; L8-Y88 HydrophobicContact CD2-CE1 4Å
9D92.7Very high79.1Confident111 Ų11185.7 Ų85.759%0.59447%0.465SS*.  trans-77.3149.5176.5-65.2-44.5000111.9G11 T12D9-G11 PolarHBondContact O-N 3.45Å; D9-T12 PolarHBondContact N-OG1 3.1Å; D9-T12 WeakPolarHBondContact O-CB 3.47Å; D9-T12 PolarHBondContact O-N 3.37Å; D9-T12 PolarHBondContact O-OG1 3.38Å
10V95Very high80Confident100 Ų10081.5 Ų81.561%0.60644%0.442SS*.THydrogen-bonded Turntrans-57.2131.8170.9174.70000109.8A21V10-A21 VanDerWaalsContact CG1-O 3.28Å; V10-A21 WeakPolarHBondContact CG1-O 3.26Å
11G96.2Very high80.8Confident35 Ų3579.7 Ų79.736%0.36144%0.438SS..THydrogen-bonded Turntrans95-17-174.900000114.4D9 V13 V20D9-G11 PolarHBondContact O-N 3.45Å; G11-V13 PolarHBondContact O-N 2.74Å; G11-V20 PolarHBondContact N-O 3.33Å
12T96.4Very high83.9Confident50 Ų5073.6 Ų73.631%0.30741%0.405SS..  trans-57.3135.8174.7-600000110.6L8 D9 K19 V20L8-T12 HydrophobicContact CD2-CG2 4.3Å; D9-T12 PolarHBondContact N-OG1 3.1Å; D9-T12 WeakPolarHBondContact O-CB 3.47Å; D9-T12 PolarHBondContact O-N 3.37Å; D9-T12 PolarHBondContact O-OG1 3.38Å; T12-K19 CarbonylContact O-C 3.24Å; T12-K19 WeakPolarHBondContact O-CA 3.42Å; T12-V20 PolarHBondContact O-N 2.98Å
13V97Very high86.7Confident67 Ų6770 Ų7041%0.40638%0.38SS..EExtended strand (participates in β ladder)trans-108.6109.9176.3-175.70000110G11 W18 K19 L38G11-V13 PolarHBondContact O-N 2.74Å; V13-W18 CarbonylContact C-O 3.57Å; V13-W18 WeakPolarHBondContact CA-O 3.35Å; V13-K19 HydrophobicContact CG2-CB 4.17Å; V13-K19 HydrophobicContact CG2-CG 4.14Å; V13-L38 HydrophobicContact CG1-CD1 3.77Å; V13-L38 HydrophobicContact CG2-CD1 4.33Å
14V96.5Very high89.3Confident4 Ų465.7 Ų65.72%0.02435%0.353CS..EExtended strand (participates in β ladder)trans-84.3130.6176.2-175.60000109.5L8 K16 R17 W18 M46 Y90L8-V14 HydrophobicContact CD1-CG2 3.88Å; V14-K16 PolarHBondContact O-N 2.61Å; V14-K16 VanDerWaalsContact O-N 3.1Å; V14-R17 PolarHBondContact O-N 2.87Å; V14-W18 PolarHBondContact N-O 3.21Å; V14-W18 PolarHBondContact O-N 2.92Å; V14-M46 HydrophobicContact CB-CE 3.86Å; V14-M46 HydrophobicContact CB-SD 4.39Å; V14-M46 HydrophobicContact CG1-CE 4.13Å; V14-M46 HydrophobicContact CG2-CE 4.08Å; V14-M46 HydrophobicContact CG2-SD 4Å; V14-Y90 HydrophobicContact CG1-CD1 4.2Å; V14-Y90 HydrophobicContact CG1-CE1 3.72Å; V14-Y90 HydrophobicContact CG1-CE2 4.38Å
15D95.8Very high91.4Very high73 Ų7360.1 Ų60.139%0.3933%0.326SS..THydrogen-bonded Turntrans50.236.4177.4-80.2-44.9000114.8R17 W18 K85 Y90D15-R17 PolarHBondContact O-N 2.69Å; D15-W18 HydrophobicContact CB-CE3 4.15Å; D15-W18 HydrophobicContact CB-CZ3 3.85Å; D15-K85 IonicContact OD1-NZ 2.62Å; D15-K85 PolarHBondContact OD1-NZ 3.35Å; D15-K85 WeakPolarHBondContact OD2-CE 3.4Å; D15-K85 IonicContact OD2-NZ 3.03Å; D15-K85 PolarHBondContact OD2-NZ 3.37Å; D15-Y90 WeakPolarHBondContact OD2-CE1 3.49Å; D15-Y90 VanDerWaalsContact OD2-CZ 3.31Å; D15-Y90 PolarHBondContact OD2-OH 2.98Å
16K96.1Very high93Very high200 Ų20059.1 Ų59.187%0.8732%0.323SS*.THydrogen-bonded Turntrans54.620.5-179.7-54-179.8-178.9179.90113.3V14V14-K16 PolarHBondContact O-N 2.61Å; V14-K16 VanDerWaalsContact O-N 3.1Å
17R97.6Very high93.5Very high57 Ų5757.7 Ų57.722%0.21532%0.324CS..THydrogen-bonded Turntrans-134.3-44.1-172.6-178173.3179.7-164.1-3.3113.6V14 D15 D37 L38 K39V14-R17 PolarHBondContact O-N 2.87Å; D15-R17 PolarHBondContact O-N 2.69Å; R17-D37 WeakPolarHBondContact CG-OD1 3.46Å; R17-D37 IonicContact CZ-OD1 3.37Å; R17-D37 IonicContact CZ-OD2 3.74Å; R17-D37 IonicContact NE-OD1 2.66Å; R17-D37 PolarHBondContact NE-OD1 3.28Å; R17-D37 IonicContact NE-OD2 2.86Å; R17-D37 PolarHBondContact NE-OD2 3.33Å; R17-D37 IonicContact NH2-OD1 3.59Å; R17-D37 IonicContact NH2-OD2 3.73Å; R17-D37 PolarHBondContact NH2-OD2 3.07Å; R17-L38 VanDerWaalsContact O-CB 3.26Å; R17-L38 WeakPolarHBondContact O-CB 3.27Å; R17-L38 WeakPolarHBondContact O-CG 3.15Å; R17-L38 PolarHBondContact O-N 2.86Å; R17-K39 HydrophobicContact CG-CD 4.46Å; R17-K39 HydrophobicContact CG-CG 4.24Å
18W98.2Very high93.1Very high14 Ų1458.9 Ų58.95%0.05334%0.337CS..EExtended strand (participates in β ladder)trans-108.3108.1-171.9-61.8-74.4000110.3V13 V14 D15 V35 M46 Y90 V92V13-W18 CarbonylContact C-O 3.57Å; V13-W18 WeakPolarHBondContact CA-O 3.35Å; V14-W18 PolarHBondContact N-O 3.21Å; V14-W18 PolarHBondContact O-N 2.92Å; D15-W18 HydrophobicContact CB-CE3 4.15Å; D15-W18 HydrophobicContact CB-CZ3 3.85Å; W18-V35 HydrophobicContact CB-CB 4.13Å; W18-V35 HydrophobicContact CB-CG2 4.1Å; W18-V35 HydrophobicContact CG-CG2 4.32Å; W18-M46 HydrophobicContact CB-CE 3.42Å; W18-M46 VanDerWaalsContact CB-CE 3.42Å; W18-M46 HydrophobicContact CD2-CE 4.17Å; W18-M46 HydrophobicContact CE3-CE 4.28Å; W18-M46 HydrophobicContact CG-CE 3.86Å; W18-Y90 HydrophobicContact CE3-CE2 4.02Å; W18-Y90 HydrophobicContact CH2-CE2 4.33Å; W18-Y90 AromaticContact CZ3-CE2 3.79Å; W18-Y90 HydrophobicContact CZ3-CE2 3.79Å; W18-Y90 AromaticContact CZ3-CZ 3.9Å; W18-Y90 WeakPolarHBondContact CZ3-OH 3.18Å; W18-V92 HydrophobicContact CD2-CG2 3.83Å; W18-V92 HydrophobicContact CE3-CG2 4.37Å; W18-V92 HydrophobicContact CG-CG2 4.07Å; W18-V92 HydrophobicContact CZ2-CB 4.42Å; W18-V92 HydrophobicContact CZ2-CG2 4.13Å
19K98.3Very high92.3Very high98 Ų9863.3 Ų63.343%0.42636%0.355SS..EExtended strand (participates in β ladder)trans-88.3121.7177.6-175.4178.9-179.9-177.80109.9T12 V13 A21 V35 T36 L38T12-K19 CarbonylContact O-C 3.24Å; T12-K19 WeakPolarHBondContact O-CA 3.42Å; V13-K19 HydrophobicContact CG2-CB 4.17Å; V13-K19 HydrophobicContact CG2-CG 4.14Å; K19-A21 PolarHBondContact O-N 2.73Å; K19-V35 CarbonylContact O-C 3.59Å; K19-V35 WeakPolarHBondContact O-CA 3.36Å; K19-T36 PolarHBondContact N-O 3.21Å; K19-T36 PolarHBondContact O-N 3.35Å; K19-L38 HydrophobicContact CB-CD1 4.38Å; K19-L38 HydrophobicContact CB-CD2 4.01Å; K19-L38 HydrophobicContact CB-CG 4.24Å; K19-L38 HydrophobicContact CD-CD2 4.47Å
20V97.8Very high91.9Very high1 Ų158.2 Ų58.21%0.00633%0.329CS..EExtended strand (participates in β ladder)trans-65.4121.1176.6-1800000109.8L8 G11 T12 Y33 V35L8-V20 HydrophobicContact CB-CG2 4.13Å; L8-V20 HydrophobicContact CD1-CG2 4.23Å; G11-V20 PolarHBondContact N-O 3.33Å; T12-V20 PolarHBondContact O-N 2.98Å; V20-Y33 HydrophobicContact CG1-CD1 3.69Å; V20-Y33 HydrophobicContact CG1-CE1 4.43Å; V20-Y33 HydrophobicContact CG1-CG 4.22Å; V20-V35 HydrophobicContact CG2-CG1 4.31Å
21A97.1Very high91.7Very high44 Ų4453.5 Ų53.536%0.36430%0.301SS..EExtended strand (participates in β ladder)trans-99.6-45.6-18000000111.9V10 K19 E34V10-A21 VanDerWaalsContact CG1-O 3.28Å; V10-A21 WeakPolarHBondContact CG1-O 3.26Å; K19-A21 PolarHBondContact O-N 2.73Å; A21-E34 HydrophobicContact CB-CG 4.29Å; A21-E34 WeakPolarHBondContact CB-O 3.39Å; A21-E34 PolarHBondContact N-O 3.01Å
22K95.1Very high91.5Very high98 Ų9851.9 Ų51.943%0.42628%0.284SS..EExtended strand (participates in β ladder)trans-160.3163.117566.8179.3-162.9-129.20111.7L24 Y33 E34K22-L24 VanDerWaalsContact CE-CD2 3.49Å; K22-L24 HydrophobicContact CG-CD2 4.46Å; K22-Y33 CarbonylContact O-C 3.49Å; K22-Y33 WeakPolarHBondContact O-CA 3.21Å; K22-E34 WeakPolarHBondContact CE-OE2 3.14Å; K22-E34 HydrophobicContact CG-CB 3.9Å; K22-E34 PolarHBondContact N-O 3.19Å; K22-E34 IonicContact NZ-OE2 2.69Å; K22-E34 PolarHBondContact NZ-OE2 2.97Å; K22-E34 PolarHBondContact O-N 3.14Å
23V94Very high91.5Very high51 Ų5149.5 Ų49.531%0.30927%0.269SS..EExtended strand (participates in β ladder)trans-80.9132.2170.5-169.30000109.1Y33V23-Y33 HydrophobicContact CB-CD1 4.45Å; V23-Y33 HydrophobicContact CG1-CE1 4.42Å; V23-Y33 HydrophobicContact CG2-CD1 4.01Å; V23-Y33 HydrophobicContact CG2-CE1 3.8Å
24L92.7Very high91.5Very high32 Ų3247.1 Ų47.117%0.16825%0.254CS..EExtended strand (participates in β ladder)trans-97.6-35.3174.4-64.4176.7000111.7K22 V32 E34 L95 N331K22-L24 VanDerWaalsContact CE-CD2 3.49Å; K22-L24 HydrophobicContact CG-CD2 4.46Å; L24-V32 HydrophobicContact CB-CB 4.35Å; L24-V32 HydrophobicContact CB-CG1 4.29Å; L24-V32 HydrophobicContact CD1-CG1 4.01Å; L24-V32 PolarHBondContact N-O 3.38Å; L24-E34 HydrophobicContact CD1-CB 4.11Å; L24-E34 HydrophobicContact CD2-CB 4.1Å; L24-E34 HydrophobicContact CG-CB 4.11Å; L24-L95 HydrophobicContact CD1-CD1 3.53Å; L24-N331 WeakPolarHBondContact O-CB 3.4Å
25G89.5Confident91.6Very high12 Ų1246.9 Ų46.912%0.12425%0.252CS..EExtended strand (participates in β ladder)trans-168.9154.1175.100000111.1A31 V32G25-A31 CarbonylContact O-C 3.57Å; G25-A31 WeakPolarHBondContact O-CA 3.22Å; G25-V32 PolarHBondContact N-O 3.1Å; G25-V32 PolarHBondContact O-N 3.08Å
26S86.6Confident91.7Very high58 Ų5845.5 Ų45.541%0.40625%0.246SC..EExtended strand (participates in β ladder)trans-138.9155.6175.560.30000110.3
27G78.3Confident91.8Very high36 Ų3636.2 Ų36.237%0.37121%0.206SC..EExtended strand (participates in β ladder)trans-158.1-179.4176.100000110.7F29 G30G27-F29 PolarHBondContact O-N 2.88Å; G27-G30 PolarHBondContact N-O 3.24Å; G27-G30 PolarHBondContact O-N 3.44Å; G27-G30 VanDerWaalsContact O-O 3.04Å
28S72.9Confident91.8Very high81 Ų8138 Ų3857%0.56622%0.22SC*.THydrogen-bonded Turntrans-60.2-21.3-177.747.80000114.6Q53S28-Q53 PolarHBondContact O-NE2 3.01Å
29F73.5Confident91.7Very high107 Ų10745.3 Ų45.347%0.46925%0.252SS..THydrogen-bonded Turntrans-105.1-11.4-172-56.5-71.3000113.5G27 L50G27-F29 PolarHBondContact O-N 2.88Å; F29-L50 PolarHBondContact O-N 2.83Å
30G84.8Confident91.5Very high5 Ų543.5 Ų43.55%0.05225%0.251CS..EExtended strand (participates in β ladder)trans163.6-174.5-169.300000113.7G27 V48G27-G30 PolarHBondContact N-O 3.24Å; G27-G30 PolarHBondContact O-N 3.44Å; G27-G30 VanDerWaalsContact O-O 3.04Å; G30-V48 CarbonylContact C-O 3.54Å; G30-V48 WeakPolarHBondContact CA-O 3.39Å
31A91Very high91.4Very high1 Ų146.1 Ų46.11%0.00828%0.279CS..EExtended strand (participates in β ladder)trans-146.3156.5177.100000110.7L7 G25 Y33 V48L7-A31 HydrophobicContact CD1-CB 4.23Å; G25-A31 CarbonylContact O-C 3.57Å; G25-A31 WeakPolarHBondContact O-CA 3.22Å; A31-Y33 HydrophobicContact CB-CD2 4.47Å; A31-Y33 HydrophobicContact CB-CE2 3.59Å; A31-Y33 WeakPolarHBondContact CB-OH 3.41Å; A31-V48 PolarHBondContact N-O 3.17Å; A31-V48 VanDerWaalsContact N-O 3.08Å; A31-V48 PolarHBondContact O-N 3.39Å
32V93.3Very high91.3Very high0 Ų050.4 Ų50.40%029%0.29CS..EExtended strand (participates in β ladder)trans-115.1134.6170.3-1730000108.9L24 G25 A45 M46 K47 N331 M332 M333L24-V32 HydrophobicContact CB-CB 4.35Å; L24-V32 HydrophobicContact CB-CG1 4.29Å; L24-V32 HydrophobicContact CD1-CG1 4.01Å; L24-V32 PolarHBondContact N-O 3.38Å; G25-V32 PolarHBondContact N-O 3.1Å; G25-V32 PolarHBondContact O-N 3.08Å; V32-A45 HydrophobicContact CG1-CB 4.35Å; V32-M46 CarbonylContact C-O 3.23Å; V32-M46 VanDerWaalsContact CA-O 3.3Å; V32-M46 WeakPolarHBondContact CA-O 3.37Å; V32-K47 HydrophobicContact CG2-CB 4.14Å; V32-K47 HydrophobicContact CG2-CD 4.42Å; V32-K47 HydrophobicContact CG2-CG 3.99Å; V32-N331 WeakPolarHBondContact CB-O 3.28Å; V32-N331 WeakPolarHBondContact CG2-O 3.42Å; V32-M332 HydrophobicContact CG1-CB 4.1Å; V32-M332 HydrophobicContact CG2-CB 4.26Å; V32-M333 HydrophobicContact CG2-CG 4.21Å; V32-M333 HydrophobicContact CG2-SD 3.74Å
33Y96Very high91.4Very high0 Ų047.9 Ų47.90%028%0.284CS..EExtended strand (participates in β ladder)trans-119.8145.4179.1-56.6-89.4000110.3L7 L8 V20 K22 V23 A31 A45 M46 V48L7-Y33 WeakPolarHBondContact CB-OH 3.29Å; L7-Y33 PolarHBondContact N-OH 3.3Å; L8-Y33 HydrophobicContact CB-CE1 4.17Å; L8-Y33 HydrophobicContact CB-CE2 4.34Å; L8-Y33 HydrophobicContact CD1-CD2 4.35Å; L8-Y33 HydrophobicContact CD1-CE2 4.14Å; L8-Y33 HydrophobicContact CG-CE2 4.4Å; L8-Y33 PolarHBondContact N-OH 3.38Å; L8-Y33 WeakPolarHBondContact O-CE1 3.49Å; V20-Y33 HydrophobicContact CG1-CD1 3.69Å; V20-Y33 HydrophobicContact CG1-CE1 4.43Å; V20-Y33 HydrophobicContact CG1-CG 4.22Å; K22-Y33 CarbonylContact O-C 3.49Å; K22-Y33 WeakPolarHBondContact O-CA 3.21Å; V23-Y33 HydrophobicContact CB-CD1 4.45Å; V23-Y33 HydrophobicContact CG1-CE1 4.42Å; V23-Y33 HydrophobicContact CG2-CD1 4.01Å; V23-Y33 HydrophobicContact CG2-CE1 3.8Å; A31-Y33 HydrophobicContact CB-CD2 4.47Å; A31-Y33 HydrophobicContact CB-CE2 3.59Å; A31-Y33 WeakPolarHBondContact CB-OH 3.41Å; Y33-A45 CarbonylContact O-C 3.57Å; Y33-A45 WeakPolarHBondContact O-CA 3.42Å; Y33-M46 PolarHBondContact N-O 3.28Å; Y33-M46 PolarHBondContact O-N 3.08Å; Y33-V48 HydrophobicContact CD2-CG2 3.99Å; Y33-V48 HydrophobicContact CE2-CB 4.31Å; Y33-V48 HydrophobicContact CE2-CG2 3.87Å
34E97.1Very high91.6Very high17 Ų1746.4 Ų46.48%0.07927%0.274CS..EExtended strand (participates in β ladder)trans-78.2128.1156.4172.7166.6-15900107.1A21 K22 L24 S43 E44 L95 R157A21-E34 HydrophobicContact CB-CG 4.29Å; A21-E34 WeakPolarHBondContact CB-O 3.39Å; A21-E34 PolarHBondContact N-O 3.01Å; K22-E34 WeakPolarHBondContact CE-OE2 3.14Å; K22-E34 HydrophobicContact CG-CB 3.9Å; K22-E34 PolarHBondContact N-O 3.19Å; K22-E34 IonicContact NZ-OE2 2.69Å; K22-E34 PolarHBondContact NZ-OE2 2.97Å; K22-E34 PolarHBondContact O-N 3.14Å; L24-E34 HydrophobicContact CD1-CB 4.11Å; L24-E34 HydrophobicContact CD2-CB 4.1Å; L24-E34 HydrophobicContact CG-CB 4.11Å; E34-S43 VanDerWaalsContact OE1-CB 3.3Å; E34-S43 WeakPolarHBondContact OE1-CB 3.28Å; E34-S43 PolarHBondContact OE1-OG 2.94Å; E34-S43 VanDerWaalsContact OE1-OG 3.09Å; E34-E44 WeakPolarHBondContact CA-O 3.26Å; E34-L95 HydrophobicContact CB-CD2 3.9Å; E34-L95 VanDerWaalsContact CD-CD2 3.47Å; E34-L95 HydrophobicContact CG-CD2 3.45Å; E34-L95 VanDerWaalsContact CG-CD2 3.45Å; E34-L95 WeakPolarHBondContact OE1-CD2 3.46Å; E34-R157 IonicContact OE1-CZ 3.97Å; E34-R157 IonicContact OE1-NH1 3.49Å; E34-R157 PolarHBondContact OE1-NH1 3.31Å; E34-R157 IonicContact OE1-NH2 3.48Å; E34-R157 PolarHBondContact OE1-NH2 3.44Å
35V98.1Very high91.8Very high0 Ų044.9 Ų44.90%027%0.266CS..EExtended strand (participates in β ladder)trans-124.9144.8178.6-59.50000110W18 K19 V20 S43 E44 M46 V92W18-V35 HydrophobicContact CB-CB 4.13Å; W18-V35 HydrophobicContact CB-CG2 4.1Å; W18-V35 HydrophobicContact CG-CG2 4.32Å; K19-V35 CarbonylContact O-C 3.59Å; K19-V35 WeakPolarHBondContact O-CA 3.36Å; V20-V35 HydrophobicContact CG2-CG1 4.31Å; V35-S43 CarbonylContact O-C 3.56Å; V35-S43 WeakPolarHBondContact O-CA 3.43Å; V35-E44 HydrophobicContact CG2-CB 4.02Å; V35-E44 PolarHBondContact N-O 3.29Å; V35-E44 PolarHBondContact O-N 3.11Å; V35-M46 HydrophobicContact CB-CB 4.44Å; V35-M46 HydrophobicContact CG1-CB 3.52Å; V35-M46 HydrophobicContact CG1-CE 4.1Å; V35-M46 HydrophobicContact CG1-CG 4.47Å; V35-M46 HydrophobicContact CG1-SD 4.23Å; V35-M46 HydrophobicContact CG2-CB 3.99Å; V35-V92 HydrophobicContact CG2-CG1 3.93Å
36T98.2Very high92.1Very high43 Ų4344.3 Ų44.326%0.26426%0.26SS..EExtended strand (participates in β ladder)trans-93.1123168.5-52.80000108.8K19 L38 K42K19-T36 PolarHBondContact N-O 3.21Å; K19-T36 PolarHBondContact O-N 3.35Å; T36-L38 PolarHBondContact O-N 3.39Å; T36-K42 WeakPolarHBondContact CA-O 3.49Å
37D97.8Very high92.3Very high5 Ų541.8 Ų41.83%0.02724%0.242CC..EExtended strand (participates in β ladder)trans-72.7105.21691787.4000109.3R17 K39 S40 G41 K42 E44R17-D37 WeakPolarHBondContact CG-OD1 3.46Å; R17-D37 IonicContact CZ-OD1 3.37Å; R17-D37 IonicContact CZ-OD2 3.74Å; R17-D37 IonicContact NE-OD1 2.66Å; R17-D37 PolarHBondContact NE-OD1 3.28Å; R17-D37 IonicContact NE-OD2 2.86Å; R17-D37 PolarHBondContact NE-OD2 3.33Å; R17-D37 IonicContact NH2-OD1 3.59Å; R17-D37 IonicContact NH2-OD2 3.73Å; R17-D37 PolarHBondContact NH2-OD2 3.07Å; D37-K39 PolarHBondContact O-N 3.18Å; D37-K39 WeakPolarHBondContact OD1-CB 3.22Å; D37-K39 PolarHBondContact OD1-N 2.9Å; D37-S40 WeakPolarHBondContact CB-OG 3.05Å; D37-S40 VanDerWaalsContact CG-OG 3.26Å; D37-S40 PolarHBondContact O-N 3.44Å; D37-S40 VanDerWaalsContact O-N 3.12Å; D37-S40 PolarHBondContact OD2-OG 2.99Å; D37-G41 WeakPolarHBondContact O-CA 3.45Å; D37-G41 PolarHBondContact O-N 2.95Å; D37-K42 PolarHBondContact N-O 3.41Å; D37-E44 HydrophobicContact CB-CG 4.47Å
38L97.5Very high92.9Very high95 Ų9540.1 Ų40.150%0.49722%0.224SC..THydrogen-bonded Turntrans-62.8-14.9-178.3-61.9176.4000113.3V13 R17 K19 T36V13-L38 HydrophobicContact CG1-CD1 3.77Å; V13-L38 HydrophobicContact CG2-CD1 4.33Å; R17-L38 VanDerWaalsContact O-CB 3.26Å; R17-L38 WeakPolarHBondContact O-CB 3.27Å; R17-L38 WeakPolarHBondContact O-CG 3.15Å; R17-L38 PolarHBondContact O-N 2.86Å; K19-L38 HydrophobicContact CB-CD1 4.38Å; K19-L38 HydrophobicContact CB-CD2 4.01Å; K19-L38 HydrophobicContact CB-CG 4.24Å; K19-L38 HydrophobicContact CD-CD2 4.47Å; T36-L38 PolarHBondContact O-N 3.39Å
39K95.8Very high93.6Very high167 Ų16737.5 Ų37.573%0.72620%0.203SC*.THydrogen-bonded Turntrans-82.1-38.3173.6-67.6-171.7178.7-174.20113R17 D37R17-K39 HydrophobicContact CG-CD 4.46Å; R17-K39 HydrophobicContact CG-CG 4.24Å; D37-K39 PolarHBondContact O-N 3.18Å; D37-K39 WeakPolarHBondContact OD1-CB 3.22Å; D37-K39 PolarHBondContact OD1-N 2.9Å
40S95Very high94.1Very high60 Ų6035 Ų3542%0.4219%0.194SC..THydrogen-bonded Turntrans-109.7-13.1-172.264.80000113.9D37 K42D37-S40 WeakPolarHBondContact CB-OG 3.05Å; D37-S40 VanDerWaalsContact CG-OG 3.26Å; D37-S40 PolarHBondContact O-N 3.44Å; D37-S40 VanDerWaalsContact O-N 3.12Å; D37-S40 PolarHBondContact OD2-OG 2.99Å; S40-K42 PolarHBondContact O-N 3.33Å; S40-K42 PolarHBondContact OG-N 2.95Å
41G95.5Very high93.8Very high57 Ų5737.5 Ų37.559%0.58821%0.209SC*.  trans73.5-1.4-172.500000114.4D37D37-G41 WeakPolarHBondContact O-CA 3.45Å; D37-G41 PolarHBondContact O-N 2.95Å
42K95.5Very high92.7Very high134 Ų13442 Ų4258%0.58325%0.246SC*.  trans-80145.6-175.4-65.6-174.3176.8-1750112.1T36 D37 S40T36-K42 WeakPolarHBondContact CA-O 3.49Å; D37-K42 PolarHBondContact N-O 3.41Å; S40-K42 PolarHBondContact O-N 3.33Å; S40-K42 PolarHBondContact OG-N 2.95Å
43S96.9Very high91.3Very high45 Ų4545.2 Ų45.232%0.31526%0.261SS..EExtended strand (participates in β ladder)trans-81.2129.4167.4-70.10000110.8E34 V35E34-S43 VanDerWaalsContact OE1-CB 3.3Å; E34-S43 WeakPolarHBondContact OE1-CB 3.28Å; E34-S43 PolarHBondContact OE1-OG 2.94Å; E34-S43 VanDerWaalsContact OE1-OG 3.09Å; V35-S43 CarbonylContact O-C 3.56Å; V35-S43 WeakPolarHBondContact O-CA 3.43Å
44E97.1Very high89.4Confident19 Ų1952.1 Ų52.19%0.08930%0.298CS..EExtended strand (participates in β ladder)trans-130.2166.4-179.1-56.1-66.1175.400110E34 V35 D37 V80 V92 T94E34-E44 WeakPolarHBondContact CA-O 3.26Å; V35-E44 HydrophobicContact CG2-CB 4.02Å; V35-E44 PolarHBondContact N-O 3.29Å; V35-E44 PolarHBondContact O-N 3.11Å; D37-E44 HydrophobicContact CB-CG 4.47Å; E44-V80 HydrophobicContact CG-CG2 4.18Å; E44-V92 HydrophobicContact CB-CG1 3.61Å; E44-V92 HydrophobicContact CG-CG1 4.35Å; E44-T94 VanDerWaalsContact OE2-CA 3.3Å; E44-T94 WeakPolarHBondContact OE2-CA 3.44Å
45A96.7Very high87.3Confident0 Ų058.8 Ų58.80%033%0.327CS..EExtended strand (participates in β ladder)trans-100.7124.3174.700000109.7V32 Y33 V92 M93 L95 M332V32-A45 HydrophobicContact CG1-CB 4.35Å; Y33-A45 CarbonylContact O-C 3.57Å; Y33-A45 WeakPolarHBondContact O-CA 3.42Å; A45-V92 CarbonylContact O-C 3.51Å; A45-V92 VanDerWaalsContact O-CA 3.3Å; A45-V92 WeakPolarHBondContact O-CA 3.32Å; A45-M93 HydrophobicContact CB-CG 4.31Å; A45-M93 PolarHBondContact N-O 3.22Å; A45-M93 PolarHBondContact O-N 3.14Å; A45-L95 HydrophobicContact CB-CB 4.27Å; A45-L95 HydrophobicContact CB-CD1 4Å; A45-M332 HydrophobicContact CB-CE 4.15Å; A45-M332 HydrophobicContact CB-SD 3.39Å; A45-M332 WeakPolarHBondContact CB-SD 3.42Å
46M95.9Very high85.5Confident0 Ų067.4 Ų67.40%036%0.36CS..EExtended strand (participates in β ladder)trans-104.7114.9171.6-179.2-179.2-72.400109.9L8 V14 W18 V32 Y33 V35 V48 Y90 I91 V92L8-M46 HydrophobicContact CD1-SD 4.14Å; V14-M46 HydrophobicContact CB-CE 3.86Å; V14-M46 HydrophobicContact CB-SD 4.39Å; V14-M46 HydrophobicContact CG1-CE 4.13Å; V14-M46 HydrophobicContact CG2-CE 4.08Å; V14-M46 HydrophobicContact CG2-SD 4Å; W18-M46 HydrophobicContact CB-CE 3.42Å; W18-M46 VanDerWaalsContact CB-CE 3.42Å; W18-M46 HydrophobicContact CD2-CE 4.17Å; W18-M46 HydrophobicContact CE3-CE 4.28Å; W18-M46 HydrophobicContact CG-CE 3.86Å; V32-M46 CarbonylContact C-O 3.23Å; V32-M46 VanDerWaalsContact CA-O 3.3Å; V32-M46 WeakPolarHBondContact CA-O 3.37Å; Y33-M46 PolarHBondContact N-O 3.28Å; Y33-M46 PolarHBondContact O-N 3.08Å; V35-M46 HydrophobicContact CB-CB 4.44Å; V35-M46 HydrophobicContact CG1-CB 3.52Å; V35-M46 HydrophobicContact CG1-CE 4.1Å; V35-M46 HydrophobicContact CG1-CG 4.47Å; V35-M46 HydrophobicContact CG1-SD 4.23Å; V35-M46 HydrophobicContact CG2-CB 3.99Å; M46-V48 HydrophobicContact CG-CG2 3.97Å; M46-V48 HydrophobicContact SD-CG2 4.17Å; M46-Y90 HydrophobicContact CE-CD2 3.95Å; M46-Y90 HydrophobicContact CE-CE2 4.18Å; M46-Y90 HydrophobicContact CG-CD2 4.19Å; M46-Y90 HydrophobicContact SD-CD2 4.21Å; M46-Y90 HydrophobicContact SD-CG 4.38Å; M46-I91 CarbonylContact C-O 3.4Å; M46-I91 VanDerWaalsContact CA-O 3.3Å; M46-I91 WeakPolarHBondContact CA-O 3.32Å; M46-V92 HydrophobicContact CB-CG2 4.23Å; M46-V92 HydrophobicContact CE-CG2 3.58Å; M46-V92 HydrophobicContact CG-CG2 4.11Å
47K92.1Very high83.9Confident6 Ų668.2 Ų68.23%0.02636%0.364CS..EExtended strand (participates in β ladder)trans-97.9128.4173.2-176.8170-177.9175.80109.3V32 L58 E61 Y90 I91 M93V32-K47 HydrophobicContact CG2-CB 4.14Å; V32-K47 HydrophobicContact CG2-CD 4.42Å; V32-K47 HydrophobicContact CG2-CG 3.99Å; K47-L58 HydrophobicContact CD-CD2 3.9Å; K47-L58 HydrophobicContact CG-CD2 4.15Å; K47-E61 WeakPolarHBondContact CE-OE2 3.32Å; K47-E61 VanDerWaalsContact NZ-CD 3.28Å; K47-E61 IonicContact NZ-OE1 3.41Å; K47-E61 PolarHBondContact NZ-OE1 3.49Å; K47-E61 IonicContact NZ-OE2 3.41Å; K47-E61 PolarHBondContact NZ-OE2 3.02Å; K47-Y90 CarbonylContact O-C 3.54Å; K47-Y90 WeakPolarHBondContact O-CA 3.29Å; K47-Y90 WeakPolarHBondContact O-CB 3.47Å; K47-I91 HydrophobicContact CB-CD1 4.47Å; K47-I91 HydrophobicContact CB-CG1 3.9Å; K47-I91 PolarHBondContact N-O 3.04Å; K47-I91 PolarHBondContact O-N 2.91Å; K47-M93 HydrophobicContact CB-CE 3.93Å; K47-M93 HydrophobicContact CD-CE 4.04Å
48V90.7Very high82.8Confident1 Ų168.4 Ų68.41%0.00637%0.366CS..EExtended strand (participates in β ladder)trans-119.7129.8-175.4179.80000109.1L7 L8 G30 A31 Y33 M46 Y88 S89L7-V48 HydrophobicContact CD1-CG1 4.09Å; L8-V48 HydrophobicContact CD1-CG2 4.08Å; G30-V48 CarbonylContact C-O 3.54Å; G30-V48 WeakPolarHBondContact CA-O 3.39Å; A31-V48 PolarHBondContact N-O 3.17Å; A31-V48 VanDerWaalsContact N-O 3.08Å; A31-V48 PolarHBondContact O-N 3.39Å; Y33-V48 HydrophobicContact CD2-CG2 3.99Å; Y33-V48 HydrophobicContact CE2-CB 4.31Å; Y33-V48 HydrophobicContact CE2-CG2 3.87Å; M46-V48 HydrophobicContact CG-CG2 3.97Å; M46-V48 HydrophobicContact SD-CG2 4.17Å; V48-Y88 HydrophobicContact CG1-CD2 3.46Å; V48-Y88 VanDerWaalsContact CG1-CD2 3.46Å; V48-Y88 HydrophobicContact CG1-CE2 4.22Å; V48-Y88 HydrophobicContact CG1-CG 3.65Å; V48-Y88 HydrophobicContact CG2-CD2 4.5Å; V48-S89 WeakPolarHBondContact CA-O 3.48Å
49E86.7Confident82.1Confident25 Ų2571.1 Ų71.112%0.11737%0.373CS..EExtended strand (participates in β ladder)trans-117.4139.4168.5-80-177.217800110.4T57 L58 Y88 S89E49-T57 PolarHBondContact OE1-OG1 3.39Å; E49-L58 HydrophobicContact CB-CD1 3.53Å; E49-L58 HydrophobicContact CB-CG 4.35Å; E49-L58 VanDerWaalsContact CD-CB 3.46Å; E49-L58 HydrophobicContact CG-CB 4.41Å; E49-L58 HydrophobicContact CG-CD1 3.3Å; E49-L58 HydrophobicContact CG-CG 3.6Å; E49-L58 WeakPolarHBondContact OE1-CB 3.48Å; E49-L58 WeakPolarHBondContact OE1-CG 3.43Å; E49-L58 PolarHBondContact OE1-N 2.85Å; E49-L58 WeakPolarHBondContact OE2-CB 3.49Å; E49-L58 WeakPolarHBondContact OE2-CD1 3.44Å; E49-L58 WeakPolarHBondContact OE2-CG 3.41Å; E49-Y88 CarbonylContact O-C 3.54Å; E49-Y88 WeakPolarHBondContact O-CA 3.42Å; E49-Y88 VanDerWaalsContact O-CB 3.31Å; E49-Y88 WeakPolarHBondContact O-CB 3.25Å; E49-S89 PolarHBondContact N-O 3.47Å; E49-S89 PolarHBondContact O-N 3.49Å
50L84.3Confident81.6Confident54 Ų5466.2 Ų66.228%0.28335%0.354SS..EExtended strand (participates in β ladder)trans-69.7132.1176.2-79.6171.9000111.8L7 F29 A52 T87L7-L50 HydrophobicContact CD1-CG 4.28Å; L7-L50 HydrophobicContact CD2-CD1 4.11Å; L7-L50 HydrophobicContact CD2-CD2 3.28Å; L7-L50 HydrophobicContact CD2-CG 3.75Å; F29-L50 PolarHBondContact O-N 2.83Å; L50-A52 PolarHBondContact O-N 3.29Å; L50-T87 WeakPolarHBondContact CD2-O 3.38Å
51T78.4Confident81.3Confident59 Ų5963.8 Ų63.836%0.36234%0.336SS..THydrogen-bonded Turntrans-62.9-26.8179.7-58.30000112.7Q53 T87 Y88T51-Q53 PolarHBondContact O-N 3.28Å; T51-T87 PolarHBondContact N-O 3.4Å; T51-T87 VanDerWaalsContact OG1-C 3.3Å; T51-T87 PolarHBondContact OG1-O 3.47Å; T51-Y88 WeakPolarHBondContact OG1-CA 3.31Å; T51-Y88 PolarHBondContact OG1-N 3.17Å
52A68.5Low81.1Confident96 Ų9662.8 Ų62.879%0.79332%0.318SS*.THydrogen-bonded Turntrans-71.9-4.8-172.900000115L50L50-A52 PolarHBondContact O-N 3.29Å
53Q62.9Low80.9Confident66 Ų6658.8 Ų58.831%0.30831%0.305SS..  trans-114.7137.4-172.4-59.6-161.427.700112.8S28 T51 F55S28-Q53 PolarHBondContact O-NE2 3.01Å; T51-Q53 PolarHBondContact O-N 3.28Å; Q53-F55 VanDerWaalsContact C-N 3.29Å; Q53-F55 PolarHBondContact O-N 3.24Å
54D56.6Low80.9Confident145 Ų14556.7 Ų56.778%0.77529%0.29SS*.SBendtrans-71.7-21.2-173.8-74.8-35.4000113.8R56D54-R56 PolarHBondContact O-N 2.97Å; D54-R56 VanDerWaalsContact O-N 3.09Å
55F53.4Low80.8Confident158 Ų15855.8 Ų55.869%0.69329%0.286SS*.  trans-82.588.6-177.9-70.7-79.5000111.6Q53 T57Q53-F55 VanDerWaalsContact C-N 3.29Å; Q53-F55 PolarHBondContact O-N 3.24Å; F55-T57 PolarHBondContact O-N 2.89Å
56R59.6Low80.7Confident181 Ų18161 Ų6168%0.68331%0.308SS*.  trans-92.764.3-179.8-55.8-176.9-155.7-176.26.7112.4D54 L58 K59D54-R56 PolarHBondContact O-N 2.97Å; D54-R56 VanDerWaalsContact O-N 3.09Å; R56-L58 PolarHBondContact O-N 3.26Å; R56-K59 PolarHBondContact O-N 3.41Å
57T64.9Low80.8Confident59 Ų5963.9 Ų63.936%0.36232%0.322SS..THydrogen-bonded Turntrans-63.8-29.2174.343.30000112.2E49 F55 K59 M60 E61E49-T57 PolarHBondContact OE1-OG1 3.39Å; F55-T57 PolarHBondContact O-N 2.89Å; T57-K59 PolarHBondContact O-N 3.37Å; T57-K59 VanDerWaalsContact O-N 3.1Å; T57-M60 PolarHBondContact O-N 3.03Å; T57-E61 PolarHBondContact O-N 3.47Å
58L74.3Confident81.1Confident10 Ų1063.7 Ų63.75%0.05232%0.321CS..Hα-helixtrans-54.8-29.1173-89.4179.6000113.6K47 E49 R56 M60 E61 V62 I91K47-L58 HydrophobicContact CD-CD2 3.9Å; K47-L58 HydrophobicContact CG-CD2 4.15Å; E49-L58 HydrophobicContact CB-CD1 3.53Å; E49-L58 HydrophobicContact CB-CG 4.35Å; E49-L58 VanDerWaalsContact CD-CB 3.46Å; E49-L58 HydrophobicContact CG-CB 4.41Å; E49-L58 HydrophobicContact CG-CD1 3.3Å; E49-L58 HydrophobicContact CG-CG 3.6Å; E49-L58 WeakPolarHBondContact OE1-CB 3.48Å; E49-L58 WeakPolarHBondContact OE1-CG 3.43Å; E49-L58 PolarHBondContact OE1-N 2.85Å; E49-L58 WeakPolarHBondContact OE2-CB 3.49Å; E49-L58 WeakPolarHBondContact OE2-CD1 3.44Å; E49-L58 WeakPolarHBondContact OE2-CG 3.41Å; R56-L58 PolarHBondContact O-N 3.26Å; L58-M60 VanDerWaalsContact C-N 3.29Å; L58-M60 PolarHBondContact O-N 3.43Å; L58-E61 PolarHBondContact O-N 3.31Å; L58-V62 WeakPolarHBondContact O-CB 3.49Å; L58-V62 WeakPolarHBondContact O-CG2 3.28Å; L58-V62 PolarHBondContact O-N 2.64Å; L58-I91 HydrophobicContact CD2-CD1 3.66Å; L58-I91 HydrophobicContact CD2-CG1 3.94Å
59K83.1Confident81.4Confident151 Ų15165.3 Ų65.366%0.65733%0.331SS*.Hα-helixtrans-61.2-42.6-177.7-175.3179177.4-177.30111.2R56 T57 V63R56-K59 PolarHBondContact O-N 3.41Å; T57-K59 PolarHBondContact O-N 3.37Å; T57-K59 VanDerWaalsContact O-N 3.1Å; K59-V63 VanDerWaalsContact O-CG2 3.27Å; K59-V63 WeakPolarHBondContact O-CG2 3.29Å; K59-V63 PolarHBondContact O-N 2.98Å
60M86.5Confident81.9Confident65 Ų6569.7 Ų69.732%0.3236%0.355SS..Hα-helixtrans-69.1-43178.1-168.95440.100110.9T57 L58 V62 V63 V64 Y143 C172T57-M60 PolarHBondContact O-N 3.03Å; L58-M60 VanDerWaalsContact C-N 3.29Å; L58-M60 PolarHBondContact O-N 3.43Å; M60-V62 PolarHBondContact O-N 3.04Å; M60-V63 PolarHBondContact O-N 3.49Å; M60-V64 HydrophobicContact CG-CG2 4.42Å; M60-V64 WeakPolarHBondContact O-CG2 3.21Å; M60-V64 PolarHBondContact O-N 3.31Å; M60-V64 HydrophobicContact SD-CG2 4.15Å; M60-Y143 HydrophobicContact SD-CD1 4.45Å; M60-Y143 HydrophobicContact SD-CE1 3.97Å; M60-C172 HydrophobicContact CG-CB 4.03Å
61E87.4Confident82.5Confident9 Ų970.7 Ų70.74%0.04236%0.36CS..Hα-helixtrans-60.8-44.2178.3-167.8173-171.200112.3K47 T57 L58 V63 L65 F169K47-E61 WeakPolarHBondContact CE-OE2 3.32Å; K47-E61 VanDerWaalsContact NZ-CD 3.28Å; K47-E61 IonicContact NZ-OE1 3.41Å; K47-E61 PolarHBondContact NZ-OE1 3.49Å; K47-E61 IonicContact NZ-OE2 3.41Å; K47-E61 PolarHBondContact NZ-OE2 3.02Å; T57-E61 PolarHBondContact O-N 3.47Å; L58-E61 PolarHBondContact O-N 3.31Å; E61-V63 PolarHBondContact O-N 2.91Å; E61-L65 WeakPolarHBondContact O-CB 3.36Å; E61-L65 PolarHBondContact O-N 3.27Å; E61-F169 HydrophobicContact CB-CB 4.45Å; E61-F169 HydrophobicContact CG-CB 4.29Å; E61-F169 HydrophobicContact CG-CD2 4.24Å
62V90.5Very high83.4Confident35 Ų3572.6 Ų72.621%0.21237%0.368CS..Hα-helixtrans-60.5-46.6175.8172.20000111.3L58 M60 K66 M82 I91L58-V62 WeakPolarHBondContact O-CB 3.49Å; L58-V62 WeakPolarHBondContact O-CG2 3.28Å; L58-V62 PolarHBondContact O-N 2.64Å; M60-V62 PolarHBondContact O-N 3.04Å; V62-K66 WeakPolarHBondContact O-CB 3.38Å; V62-K66 PolarHBondContact O-N 3.46Å; V62-M82 HydrophobicContact CG1-CE 3.83Å; V62-I91 HydrophobicContact CG2-CG2 3.52Å
63V93.4Very high84.8Confident51 Ų5168.5 Ų68.531%0.30934%0.335SS..Hα-helixtrans-62.8-52.3-178.4169.20000110.2K59 M60 E61 K66 E67 Y143K59-V63 VanDerWaalsContact O-CG2 3.27Å; K59-V63 WeakPolarHBondContact O-CG2 3.29Å; K59-V63 PolarHBondContact O-N 2.98Å; M60-V63 PolarHBondContact O-N 3.49Å; E61-V63 PolarHBondContact O-N 2.91Å; V63-K66 PolarHBondContact O-N 3.38Å; V63-E67 WeakPolarHBondContact CG1-OE1 3.35Å; V63-E67 WeakPolarHBondContact O-CG 3.45Å; V63-E67 PolarHBondContact O-N 2.99Å; V63-Y143 WeakPolarHBondContact CG1-OH 3.3Å
64V95.3Very high86.5Confident0 Ų070.4 Ų70.40%034%0.339CS..Hα-helixtrans-63.9-47.7-178.5173.50000111.1M60 K66 E67 L68 L138 I141 Y143 F169 C172M60-V64 HydrophobicContact CG-CG2 4.42Å; M60-V64 WeakPolarHBondContact O-CG2 3.21Å; M60-V64 PolarHBondContact O-N 3.31Å; M60-V64 HydrophobicContact SD-CG2 4.15Å; V64-K66 VanDerWaalsContact C-N 3.28Å; V64-K66 PolarHBondContact O-N 3.48Å; V64-E67 PolarHBondContact O-N 3.16Å; V64-L68 HydrophobicContact CG1-CD1 3.88Å; V64-L68 HydrophobicContact CG1-CG 4.34Å; V64-L68 WeakPolarHBondContact O-CB 3.4Å; V64-L68 WeakPolarHBondContact O-CG 3.44Å; V64-L68 PolarHBondContact O-N 2.89Å; V64-L138 HydrophobicContact CG1-CD1 3.48Å; V64-L138 VanDerWaalsContact CG1-CD1 3.48Å; V64-I141 HydrophobicContact CG1-CD1 4.28Å; V64-Y143 HydrophobicContact CG2-CD1 3.65Å; V64-Y143 HydrophobicContact CG2-CD2 4.31Å; V64-Y143 HydrophobicContact CG2-CE1 3.78Å; V64-Y143 HydrophobicContact CG2-CE2 4.42Å; V64-Y143 HydrophobicContact CG2-CG 3.93Å; V64-F169 HydrophobicContact CB-CB 4.14Å; V64-F169 HydrophobicContact CB-CG 4.28Å; V64-F169 HydrophobicContact CG1-CB 4.07Å; V64-F169 HydrophobicContact CG1-CD1 3.66Å; V64-F169 HydrophobicContact CG1-CD2 4.39Å; V64-F169 HydrophobicContact CG1-CE1 4.2Å; V64-F169 HydrophobicContact CG1-CG 3.76Å; V64-C172 HydrophobicContact CG2-CB 4.03Å
65L95.3Very high88.4Confident1 Ų163.7 Ų63.71%0.00530%0.303CS..Hα-helixtrans-65-34.4-178.2-166.464.9000112.1E61 T69 C77 L79 M93 F169E61-L65 WeakPolarHBondContact O-CB 3.36Å; E61-L65 PolarHBondContact O-N 3.27Å; L65-T69 VanDerWaalsContact O-CB 3.3Å; L65-T69 WeakPolarHBondContact O-CB 3.19Å; L65-T69 PolarHBondContact O-N 3.14Å; L65-T69 PolarHBondContact O-OG1 3.01Å; L65-C77 HydrophobicContact CD1-CB 4.17Å; L65-C77 WeakPolarHBondContact CD1-O 3.44Å; L65-L79 HydrophobicContact CD2-CB 4.06Å; L65-L79 HydrophobicContact CD2-CD1 4.12Å; L65-L79 HydrophobicContact CG-CB 4.07Å; L65-M93 HydrophobicContact CD2-CB 3.99Å; L65-M93 HydrophobicContact CD2-SD 3.82Å; L65-F169 HydrophobicContact CD1-CD2 4.44Å; L65-F169 HydrophobicContact CD1-CE2 3.81Å
66K95.9Very high90.5Very high108 Ų10856.6 Ų56.647%0.4727%0.273SS..Hα-helixtrans-64.7-51.7173.4-176.3-180176.5-1750111.1V62 V63 V64 L68 T69 D70 L79V62-K66 WeakPolarHBondContact O-CB 3.38Å; V62-K66 PolarHBondContact O-N 3.46Å; V63-K66 PolarHBondContact O-N 3.38Å; V64-K66 VanDerWaalsContact C-N 3.28Å; V64-K66 PolarHBondContact O-N 3.48Å; K66-L68 VanDerWaalsContact C-N 3.3Å; K66-L68 PolarHBondContact O-N 3.44Å; K66-T69 WeakPolarHBondContact O-CB 3.42Å; K66-T69 PolarHBondContact O-N 3.2Å; K66-T69 VanDerWaalsContact O-N 3.09Å; K66-D70 VanDerWaalsContact O-CG 3.26Å; K66-D70 PolarHBondContact O-N 3.37Å; K66-L79 HydrophobicContact CB-CD2 3.98Å
67E97.2Very high92.2Very high61 Ų6148.1 Ų48.129%0.28524%0.241SC..Hα-helixtrans-58.7-41.9178.5-70.2-173.8-125.400111.7V63 V64 D70 I71 I141 Y143V63-E67 WeakPolarHBondContact CG1-OE1 3.35Å; V63-E67 WeakPolarHBondContact O-CG 3.45Å; V63-E67 PolarHBondContact O-N 2.99Å; V64-E67 PolarHBondContact O-N 3.16Å; E67-D70 PolarHBondContact O-N 3.39Å; E67-I71 PolarHBondContact O-N 3.44Å; E67-I141 HydrophobicContact CB-CD1 3.78Å; E67-Y143 WeakPolarHBondContact OE1-CE2 3.29Å; E67-Y143 PolarHBondContact OE1-OH 2.83Å
68L97.9Very high93.7Very high2 Ų250 Ų501%0.0124%0.244CC..Hα-helixtrans-64.3-38.5174.5-71.5174.4000112.9V64 K66 I71 N72 A73 C76 D137 L138 I141 F169V64-L68 HydrophobicContact CG1-CD1 3.88Å; V64-L68 HydrophobicContact CG1-CG 4.34Å; V64-L68 WeakPolarHBondContact O-CB 3.4Å; V64-L68 WeakPolarHBondContact O-CG 3.44Å; V64-L68 PolarHBondContact O-N 2.89Å; K66-L68 VanDerWaalsContact C-N 3.3Å; K66-L68 PolarHBondContact O-N 3.44Å; L68-I71 WeakPolarHBondContact O-CG1 3.28Å; L68-N72 PolarHBondContact O-N 3.43Å; L68-A73 HydrophobicContact CB-CB 4.16Å; L68-A73 HydrophobicContact CD2-CB 3.89Å; L68-A73 WeakPolarHBondContact O-CB 3.46Å; L68-A73 PolarHBondContact O-N 3.41Å; L68-C76 HydrophobicContact CB-CB 4.28Å; L68-C76 HydrophobicContact CD1-CB 3.93Å; L68-D137 HydrophobicContact CD2-CB 4.33Å; L68-L138 HydrophobicContact CD1-CD1 4.28Å; L68-I141 HydrophobicContact CD2-CD1 3.62Å; L68-I141 HydrophobicContact CD2-CG1 4Å; L68-I141 HydrophobicContact CD2-CG2 4.48Å; L68-I141 HydrophobicContact CG-CD1 3.61Å; L68-F169 HydrophobicContact CD1-CE1 3.9Å; L68-F169 HydrophobicContact CD1-CE2 4.37Å; L68-F169 HydrophobicContact CD1-CZ 3.73Å
69T97.3Very high94.7Very high36 Ų3650.7 Ų50.722%0.22125%0.248CC..Hα-helixtrans-66.8-41.8176.4-60.80000111L65 K66 I71 N72 L79L65-T69 VanDerWaalsContact O-CB 3.3Å; L65-T69 WeakPolarHBondContact O-CB 3.19Å; L65-T69 PolarHBondContact O-N 3.14Å; L65-T69 PolarHBondContact O-OG1 3.01Å; K66-T69 WeakPolarHBondContact O-CB 3.42Å; K66-T69 PolarHBondContact O-N 3.2Å; K66-T69 VanDerWaalsContact O-N 3.09Å; T69-I71 VanDerWaalsContact C-N 3.3Å; T69-I71 PolarHBondContact O-N 3.43Å; T69-N72 PolarHBondContact O-N 3.09Å; T69-L79 PolarHBondContact OG1-N 3.11Å
70D97.3Very high95.2Very high116 Ų11645.6 Ų45.662%0.6223%0.229SC*.Hα-helixtrans-63.5-34.5-178.2-70.6-17000111.9K66 E67 N72K66-D70 VanDerWaalsContact O-CG 3.26Å; K66-D70 PolarHBondContact O-N 3.37Å; E67-D70 PolarHBondContact O-N 3.39Å; D70-N72 VanDerWaalsContact C-N 3.32Å
71I97.3Very high95.6Very high75 Ų7543.1 Ų43.139%0.38522%0.221SC..THydrogen-bonded Turntrans-86.71.2173.768.3159.2000113.8E67 L68 T69 A73 F140 I141E67-I71 PolarHBondContact O-N 3.44Å; L68-I71 WeakPolarHBondContact O-CG1 3.28Å; T69-I71 VanDerWaalsContact C-N 3.3Å; T69-I71 PolarHBondContact O-N 3.43Å; I71-A73 VanDerWaalsContact C-N 3.32Å; I71-A73 HydrophobicContact CD1-CB 4.12Å; I71-A73 HydrophobicContact CG1-CB 4.08Å; I71-A73 PolarHBondContact O-N 3.43Å; I71-F140 HydrophobicContact CD1-CD1 4Å; I71-F140 HydrophobicContact CD1-CE1 4.48Å; I71-I141 HydrophobicContact CD1-CG2 3.5Å; I71-I141 HydrophobicContact CG1-CG2 4.17Å; I71-I141 HydrophobicContact CG2-CG2 4.37Å
72N96.9Very high95.9Very high100 Ų10047.3 Ų47.354%0.53524%0.242SC..THydrogen-bonded Turntrans50.150.4-173.4-172.958000112.3L68 T69 D70 K78L68-N72 PolarHBondContact O-N 3.43Å; T69-N72 PolarHBondContact O-N 3.09Å; D70-N72 VanDerWaalsContact C-N 3.32Å; N72-K78 WeakPolarHBondContact OD1-CE 3.18Å; N72-K78 PolarHBondContact OD1-NZ 2.99Å
73A98Very high96Very high10 Ų1046.8 Ų46.88%0.08324%0.243CC..  trans-54.8147.8179.500000112.2L68 I71 C76 D137L68-A73 HydrophobicContact CB-CB 4.16Å; L68-A73 HydrophobicContact CD2-CB 3.89Å; L68-A73 WeakPolarHBondContact O-CB 3.46Å; L68-A73 PolarHBondContact O-N 3.41Å; I71-A73 VanDerWaalsContact C-N 3.32Å; I71-A73 HydrophobicContact CD1-CB 4.12Å; I71-A73 HydrophobicContact CG1-CB 4.08Å; I71-A73 PolarHBondContact O-N 3.43Å; A73-C76 HydrophobicContact CB-CB 4.43Å; A73-C76 VanDerWaalsContact CB-SG 3.58Å; A73-D137 HydrophobicContact CB-CB 3.77Å
74R97.7Very high95.8Very high105 Ų10551.6 Ų51.640%0.39626%0.26SS..THydrogen-bonded Turntrans-71.4-41.1-164.9-65.5167.8-74.6179.20.5112.7Q133 E136 D137R74-Q133 PolarHBondContact NH2-O 2.79Å; R74-E136 IonicContact CZ-OE2 2.71Å; R74-E136 IonicContact NH1-OE2 3.1Å; R74-E136 PolarHBondContact NH1-OE2 3.1Å; R74-E136 VanDerWaalsContact NH1-OE2 3.14Å; R74-E136 IonicContact NH2-OE2 3.28Å; R74-E136 PolarHBondContact NH2-OE2 3.29Å; R74-D137 WeakPolarHBondContact CB-OD2 3.4Å; R74-D137 IonicContact CZ-OD1 2.68Å; R74-D137 VanDerWaalsContact CZ-OD1 3.28Å; R74-D137 IonicContact CZ-OD2 3.55Å; R74-D137 PolarHBondContact N-OD2 3.07Å; R74-D137 IonicContact NE-OD1 3.07Å; R74-D137 PolarHBondContact NE-OD1 2.86Å; R74-D137 VanDerWaalsContact NE-OD1 3.1Å; R74-D137 IonicContact NE-OD2 2.74Å; R74-D137 PolarHBondContact NE-OD2 2.86Å; R74-D137 VanDerWaalsContact NE-OD2 3.16Å; R74-D137 IonicContact NH2-OD1 3.51Å; R74-D137 PolarHBondContact NH2-OD1 3.19Å; R74-D137 IonicContact NH2-OD2 3.98Å
75N97.8Very high95.6Very high5 Ų554.7 Ų54.73%0.02727%0.273CS..THydrogen-bonded Turntrans-128.637.5-166.3-69.693.1000112.6Q133 V164 F165 V166N75-Q133 VanDerWaalsContact OD1-CB 3.25Å; N75-Q133 WeakPolarHBondContact OD1-CB 3.49Å; N75-Q133 PolarHBondContact OD1-OE1 3.26Å; N75-Q133 VanDerWaalsContact OD1-OE1 3.13Å; N75-V164 WeakPolarHBondContact CA-O 3.47Å; N75-V164 WeakPolarHBondContact CB-O 3.32Å; N75-V164 PolarHBondContact ND2-O 3.22Å; N75-F165 CarbonylContact O-C 3.51Å; N75-F165 WeakPolarHBondContact O-CA 3.34Å; N75-V166 WeakPolarHBondContact O-CG2 3.45Å; N75-V166 PolarHBondContact O-N 3Å
76C96.2Very high95.3Very high9 Ų963.6 Ų63.66%0.06132%0.315CS..BIsolated β-bridgetrans-123.1155.8175.6750000111.2L68 A73 F165L68-C76 HydrophobicContact CB-CB 4.28Å; L68-C76 HydrophobicContact CD1-CB 3.93Å; A73-C76 HydrophobicContact CB-CB 4.43Å; A73-C76 VanDerWaalsContact CB-SG 3.58Å; C76-F165 WeakPolarHBondContact O-CD1 3.38Å
77C96.3Very high94.8Very high2 Ų262.8 Ų62.81%0.01432%0.319CS..  trans-63.9146.9168.9-65.20000109.5L65 M93 V96L65-C77 HydrophobicContact CD1-CB 4.17Å; L65-C77 WeakPolarHBondContact CD1-O 3.44Å; C77-M93 HydrophobicContact CB-CB 4.34Å; C77-M93 HydrophobicContact CB-SD 4.4Å; C77-V96 VanDerWaalsContact SG-CG1 3.58Å
78K95.4Very high94.5Very high98 Ų9861 Ų6143%0.42631%0.31SS..  trans-89.5133.2171.6-64.6-170.8173.4-163.70109.3N72 V80 M93 T94N72-K78 WeakPolarHBondContact OD1-CE 3.18Å; N72-K78 PolarHBondContact OD1-NZ 2.99Å; K78-V80 PolarHBondContact O-N 3.41Å; K78-M93 CarbonylContact O-C 3.34Å; K78-M93 WeakPolarHBondContact O-CA 3.31Å; K78-M93 WeakPolarHBondContact O-CB 3.43Å; K78-T94 PolarHBondContact N-OG1 3.29Å; K78-T94 PolarHBondContact O-N 2.84Å
79L95.3Very high94.1Very high25 Ų2562.7 Ų62.713%0.13132%0.322CS..EExtended strand (participates in β ladder)trans-78.4112.5170.3-175.261.8000109.2L65 K66 T69 M82 I91L65-L79 HydrophobicContact CD2-CB 4.06Å; L65-L79 HydrophobicContact CD2-CD1 4.12Å; L65-L79 HydrophobicContact CG-CB 4.07Å; K66-L79 HydrophobicContact CB-CD2 3.98Å; T69-L79 PolarHBondContact OG1-N 3.11Å; L79-M82 HydrophobicContact CD2-CE 3.41Å; L79-M82 VanDerWaalsContact CD2-CE 3.41Å; L79-M82 HydrophobicContact CG-CE 4.22Å; L79-I91 HydrophobicContact CD1-CB 3.91Å; L79-I91 HydrophobicContact CD1-CG2 4.12Å
80V95.3Very high93.9Very high44 Ų4461.3 Ų61.327%0.26731%0.313SS..EExtended strand (participates in β ladder)trans-104-15.3-174.9-580000113.5E44 K78 V92E44-V80 HydrophobicContact CG-CG2 4.18Å; K78-V80 PolarHBondContact O-N 3.41Å; V80-V92 HydrophobicContact CG2-CB 3.74Å; V80-V92 HydrophobicContact CG2-CG1 3.47Å; V80-V92 VanDerWaalsContact CG2-CG1 3.47Å; V80-V92 VanDerWaalsContact CG2-O 3.27Å; V80-V92 WeakPolarHBondContact CG2-O 3.49Å; V80-V92 PolarHBondContact N-O 2.97Å
81G94.4Very high93.7Very high13 Ų1356 Ų5613%0.13428%0.284CS..EExtended strand (participates in β ladder)trans-169.7160.417800000112.9V92G81-V92 PolarHBondContact N-O 3.31Å; G81-V92 VanDerWaalsContact N-O 3.16Å; G81-V92 PolarHBondContact O-N 2.74Å
82M93.5Very high93.7Very high98 Ų9852.4 Ų52.448%0.48327%0.266SS..EExtended strand (participates in β ladder)trans-154.4155.3171.262.4177.464.100109.4V62 L79 Y90 I91V62-M82 HydrophobicContact CG1-CE 3.83Å; L79-M82 HydrophobicContact CD2-CE 3.41Å; L79-M82 VanDerWaalsContact CD2-CE 3.41Å; L79-M82 HydrophobicContact CG-CE 4.22Å; M82-Y90 VanDerWaalsContact CA-O 3.32Å; M82-Y90 WeakPolarHBondContact CA-O 3.43Å; M82-I91 HydrophobicContact CB-CG2 4.18Å
83G92Very high93.6Very high24 Ų2447.9 Ų47.925%0.24724%0.242CC..EExtended strand (participates in β ladder)trans-167.6169.1174.500000112.6Y90G83-Y90 VanDerWaalsContact CA-CE1 3.43Å; G83-Y90 PolarHBondContact N-O 2.58Å; G83-Y90 WeakPolarHBondContact O-CD1 3.39Å; G83-Y90 PolarHBondContact O-N 2.56Å
84K90.8Very high93.5Very high152 Ų15248.9 Ų48.966%0.66125%0.247SC*.EExtended strand (participates in β ladder)trans-127.7132176.7-175.6176.1179.7-173.10109.1
85K90.8Very high93.5Very high65 Ų6544.6 Ų44.628%0.28323%0.232SC..  trans-110.6175.2170.1-59.4-54.5-179.5-173.70109.3D15 T87 Y88D15-K85 IonicContact OD1-NZ 2.62Å; D15-K85 PolarHBondContact OD1-NZ 3.35Å; D15-K85 WeakPolarHBondContact OD2-CE 3.4Å; D15-K85 IonicContact OD2-NZ 3.03Å; D15-K85 PolarHBondContact OD2-NZ 3.37Å; K85-T87 VanDerWaalsContact C-N 3.33Å; K85-T87 PolarHBondContact O-N 3.39Å; K85-Y88 CarbonylContact C-O 3.55Å; K85-Y88 WeakPolarHBondContact CA-O 3.34Å; K85-Y88 HydrophobicContact CB-CD1 3.97Å; K85-Y88 HydrophobicContact CB-CD2 4.32Å; K85-Y88 HydrophobicContact CB-CE1 3.79Å; K85-Y88 HydrophobicContact CB-CE2 4.22Å; K85-Y88 HydrophobicContact CB-CG 4.24Å; K85-Y88 WeakPolarHBondContact CB-O 3.36Å; K85-Y88 HydrophobicContact CG-CD1 4.36Å; K85-Y88 HydrophobicContact CG-CD2 4.23Å; K85-Y88 HydrophobicContact CG-CE1 3.77Å; K85-Y88 HydrophobicContact CG-CE2 3.67Å; K85-Y88 VanDerWaalsContact CG-CZ 3.4Å; K85-Y88 PolarHBondContact N-O 3.1Å
86E87.5Confident93.4Very high187 Ų18744.4 Ų44.487%0.87423%0.231SC*.SBendtrans-59.8-46.3179.1-65.2-178.3172.200111
87T87.2Confident93.4Very high91 Ų9144.5 Ų44.556%0.55823%0.233SC*.SBendtrans-96.8-17.9-17352.90000114.3L50 T51 K85L50-T87 WeakPolarHBondContact CD2-O 3.38Å; T51-T87 PolarHBondContact N-O 3.4Å; T51-T87 VanDerWaalsContact OG1-C 3.3Å; T51-T87 PolarHBondContact OG1-O 3.47Å; K85-T87 VanDerWaalsContact C-N 3.33Å; K85-T87 PolarHBondContact O-N 3.39Å
88Y90Very high93.4Very high23 Ų2344.9 Ų44.99%0.0924%0.237CC..EExtended strand (participates in β ladder)trans-150159.2-176.267.4-92.9000113.6L8 V48 E49 T51 K85 Y90L8-Y88 HydrophobicContact CD2-CE1 4Å; V48-Y88 HydrophobicContact CG1-CD2 3.46Å; V48-Y88 VanDerWaalsContact CG1-CD2 3.46Å; V48-Y88 HydrophobicContact CG1-CE2 4.22Å; V48-Y88 HydrophobicContact CG1-CG 3.65Å; V48-Y88 HydrophobicContact CG2-CD2 4.5Å; E49-Y88 CarbonylContact O-C 3.54Å; E49-Y88 WeakPolarHBondContact O-CA 3.42Å; E49-Y88 VanDerWaalsContact O-CB 3.31Å; E49-Y88 WeakPolarHBondContact O-CB 3.25Å; T51-Y88 WeakPolarHBondContact OG1-CA 3.31Å; T51-Y88 PolarHBondContact OG1-N 3.17Å; K85-Y88 CarbonylContact C-O 3.55Å; K85-Y88 WeakPolarHBondContact CA-O 3.34Å; K85-Y88 HydrophobicContact CB-CD1 3.97Å; K85-Y88 HydrophobicContact CB-CD2 4.32Å; K85-Y88 HydrophobicContact CB-CE1 3.79Å; K85-Y88 HydrophobicContact CB-CE2 4.22Å; K85-Y88 HydrophobicContact CB-CG 4.24Å; K85-Y88 WeakPolarHBondContact CB-O 3.36Å; K85-Y88 HydrophobicContact CG-CD1 4.36Å; K85-Y88 HydrophobicContact CG-CD2 4.23Å; K85-Y88 HydrophobicContact CG-CE1 3.77Å; K85-Y88 HydrophobicContact CG-CE2 3.67Å; K85-Y88 VanDerWaalsContact CG-CZ 3.4Å; K85-Y88 PolarHBondContact N-O 3.1Å; Y88-Y90 HydrophobicContact CD2-CD1 4.21Å; Y88-Y90 AromaticContact CE2-CD1 3.7Å; Y88-Y90 HydrophobicContact CE2-CD1 3.7Å; Y88-Y90 HydrophobicContact CE2-CG 4.31Å
89S90Very high93.5Very high39 Ų3940.5 Ų40.527%0.27322%0.218SC..EExtended strand (participates in β ladder)trans-110.5151.4164.2-57.30000109.4V48 E49V48-S89 WeakPolarHBondContact CA-O 3.48Å; E49-S89 PolarHBondContact N-O 3.47Å; E49-S89 PolarHBondContact O-N 3.49Å
90Y92Very high93.6Very high7 Ų739.3 Ų39.33%0.02721%0.212CC..EExtended strand (participates in β ladder)trans-141.1152179.373.5-88.6000112.6V14 D15 W18 M46 K47 M82 G83 Y88 V92V14-Y90 HydrophobicContact CG1-CD1 4.2Å; V14-Y90 HydrophobicContact CG1-CE1 3.72Å; V14-Y90 HydrophobicContact CG1-CE2 4.38Å; D15-Y90 WeakPolarHBondContact OD2-CE1 3.49Å; D15-Y90 VanDerWaalsContact OD2-CZ 3.31Å; D15-Y90 PolarHBondContact OD2-OH 2.98Å; W18-Y90 HydrophobicContact CE3-CE2 4.02Å; W18-Y90 HydrophobicContact CH2-CE2 4.33Å; W18-Y90 AromaticContact CZ3-CE2 3.79Å; W18-Y90 HydrophobicContact CZ3-CE2 3.79Å; W18-Y90 AromaticContact CZ3-CZ 3.9Å; W18-Y90 WeakPolarHBondContact CZ3-OH 3.18Å; M46-Y90 HydrophobicContact CE-CD2 3.95Å; M46-Y90 HydrophobicContact CE-CE2 4.18Å; M46-Y90 HydrophobicContact CG-CD2 4.19Å; M46-Y90 HydrophobicContact SD-CD2 4.21Å; M46-Y90 HydrophobicContact SD-CG 4.38Å; K47-Y90 CarbonylContact O-C 3.54Å; K47-Y90 WeakPolarHBondContact O-CA 3.29Å; K47-Y90 WeakPolarHBondContact O-CB 3.47Å; M82-Y90 VanDerWaalsContact CA-O 3.32Å; M82-Y90 WeakPolarHBondContact CA-O 3.43Å; G83-Y90 VanDerWaalsContact CA-CE1 3.43Å; G83-Y90 PolarHBondContact N-O 2.58Å; G83-Y90 WeakPolarHBondContact O-CD1 3.39Å; G83-Y90 PolarHBondContact O-N 2.56Å; Y88-Y90 HydrophobicContact CD2-CD1 4.21Å; Y88-Y90 AromaticContact CE2-CD1 3.7Å; Y88-Y90 HydrophobicContact CE2-CD1 3.7Å; Y88-Y90 HydrophobicContact CE2-CG 4.31Å; Y90-V92 HydrophobicContact CD2-CG2 3.83Å; Y90-V92 HydrophobicContact CE2-CG2 3.89Å
91I93.8Very high93.6Very high3 Ų338.5 Ų38.52%0.01521%0.205CC..EExtended strand (participates in β ladder)trans-121.1150.516358.7173.2000109.4M46 K47 L58 V62 L79 M82 M93M46-I91 CarbonylContact C-O 3.4Å; M46-I91 VanDerWaalsContact CA-O 3.3Å; M46-I91 WeakPolarHBondContact CA-O 3.32Å; K47-I91 HydrophobicContact CB-CD1 4.47Å; K47-I91 HydrophobicContact CB-CG1 3.9Å; K47-I91 PolarHBondContact N-O 3.04Å; K47-I91 PolarHBondContact O-N 2.91Å; L58-I91 HydrophobicContact CD2-CD1 3.66Å; L58-I91 HydrophobicContact CD2-CG1 3.94Å; V62-I91 HydrophobicContact CG2-CG2 3.52Å; L79-I91 HydrophobicContact CD1-CB 3.91Å; L79-I91 HydrophobicContact CD1-CG2 4.12Å; M82-I91 HydrophobicContact CB-CG2 4.18Å; I91-M93 HydrophobicContact CD1-CE 3.6Å; I91-M93 HydrophobicContact CD1-SD 4.32Å; I91-M93 HydrophobicContact CG1-CE 4.1Å
92V96.1Very high93.7Very high0 Ų039.1 Ų39.10%021%0.207CC..EExtended strand (participates in β ladder)trans-120128.9170.8-168.50000107.9W18 V35 E44 A45 M46 V80 G81 Y90W18-V92 HydrophobicContact CD2-CG2 3.83Å; W18-V92 HydrophobicContact CE3-CG2 4.37Å; W18-V92 HydrophobicContact CG-CG2 4.07Å; W18-V92 HydrophobicContact CZ2-CB 4.42Å; W18-V92 HydrophobicContact CZ2-CG2 4.13Å; V35-V92 HydrophobicContact CG2-CG1 3.93Å; E44-V92 HydrophobicContact CB-CG1 3.61Å; E44-V92 HydrophobicContact CG-CG1 4.35Å; A45-V92 CarbonylContact O-C 3.51Å; A45-V92 VanDerWaalsContact O-CA 3.3Å; A45-V92 WeakPolarHBondContact O-CA 3.32Å; M46-V92 HydrophobicContact CB-CG2 4.23Å; M46-V92 HydrophobicContact CE-CG2 3.58Å; M46-V92 HydrophobicContact CG-CG2 4.11Å; V80-V92 HydrophobicContact CG2-CB 3.74Å; V80-V92 HydrophobicContact CG2-CG1 3.47Å; V80-V92 VanDerWaalsContact CG2-CG1 3.47Å; V80-V92 VanDerWaalsContact CG2-O 3.27Å; V80-V92 WeakPolarHBondContact CG2-O 3.49Å; V80-V92 PolarHBondContact N-O 2.97Å; G81-V92 PolarHBondContact N-O 3.31Å; G81-V92 VanDerWaalsContact N-O 3.16Å; G81-V92 PolarHBondContact O-N 2.74Å; Y90-V92 HydrophobicContact CD2-CG2 3.83Å; Y90-V92 HydrophobicContact CE2-CG2 3.89Å
93M96.2Very high93.9Very high6 Ų634.6 Ų34.63%0.0319%0.185CC..EExtended strand (participates in β ladder)trans-143.2170.3-176.263.3-177.3133.500111.8A45 K47 L65 C77 K78 I91 L95 M332A45-M93 HydrophobicContact CB-CG 4.31Å; A45-M93 PolarHBondContact N-O 3.22Å; A45-M93 PolarHBondContact O-N 3.14Å; K47-M93 HydrophobicContact CB-CE 3.93Å; K47-M93 HydrophobicContact CD-CE 4.04Å; L65-M93 HydrophobicContact CD2-CB 3.99Å; L65-M93 HydrophobicContact CD2-SD 3.82Å; C77-M93 HydrophobicContact CB-CB 4.34Å; C77-M93 HydrophobicContact CB-SD 4.4Å; K78-M93 CarbonylContact O-C 3.34Å; K78-M93 WeakPolarHBondContact O-CA 3.31Å; K78-M93 WeakPolarHBondContact O-CB 3.43Å; I91-M93 HydrophobicContact CD1-CE 3.6Å; I91-M93 HydrophobicContact CD1-SD 4.32Å; I91-M93 HydrophobicContact CG1-CE 4.1Å; M93-L95 PolarHBondContact O-N 3.4Å; M93-M332 HydrophobicContact CE-CE 4.13Å; M93-M332 HydrophobicContact CG-CE 4.1Å; M93-M332 HydrophobicContact SD-CE 3.81Å
94T96.1Very high94.1Very high30 Ų3033.7 Ų33.718%0.18418%0.175CC..EExtended strand (participates in β ladder)trans-47.5126.8175.2-55.50000112.1E44 K78 F165E44-T94 VanDerWaalsContact OE2-CA 3.3Å; E44-T94 WeakPolarHBondContact OE2-CA 3.44Å; K78-T94 PolarHBondContact N-OG1 3.29Å; K78-T94 PolarHBondContact O-N 2.84Å; T94-F165 HydrophobicContact CG2-CE1 4.02Å; T94-F165 HydrophobicContact CG2-CZ 4.13Å
95L96.5Very high94.4Very high15 Ų1530.8 Ų30.88%0.07917%0.167CC..  trans-81.8127171.5-17850.5000111L24 E34 A45 M93 R157 M332L24-L95 HydrophobicContact CD1-CD1 3.53Å; E34-L95 HydrophobicContact CB-CD2 3.9Å; E34-L95 VanDerWaalsContact CD-CD2 3.47Å; E34-L95 HydrophobicContact CG-CD2 3.45Å; E34-L95 VanDerWaalsContact CG-CD2 3.45Å; E34-L95 WeakPolarHBondContact OE1-CD2 3.46Å; A45-L95 HydrophobicContact CB-CB 4.27Å; A45-L95 HydrophobicContact CB-CD1 4Å; M93-L95 PolarHBondContact O-N 3.4Å; L95-R157 WeakPolarHBondContact O-CD 3.42Å; L95-M332 HydrophobicContact CD1-SD 4.32Å
96V96.4Very high94.6Very high2 Ų228.5 Ų28.51%0.01216%0.159CC..  trans-104.9168.7-174.6-59.50000112.5C77 A154 F165 L167 H330 M332C77-V96 VanDerWaalsContact SG-CG1 3.58Å; V96-A154 HydrophobicContact CB-CB 3.85Å; V96-A154 HydrophobicContact CG2-CB 3.64Å; V96-F165 HydrophobicContact CB-CD2 4.35Å; V96-F165 HydrophobicContact CG1-CB 3.84Å; V96-F165 HydrophobicContact CG1-CD1 4.27Å; V96-F165 HydrophobicContact CG1-CD2 3.66Å; V96-F165 HydrophobicContact CG1-CE2 4.3Å; V96-F165 HydrophobicContact CG1-CG 3.64Å; V96-L167 HydrophobicContact CG1-CD2 4.28Å; V96-L167 HydrophobicContact CG2-CD1 4.23Å; V96-L167 HydrophobicContact CG2-CD2 4.38Å; V96-H330 HydrophobicContact CG2-CB 4.11Å; V96-M332 HydrophobicContact CG2-CE 4.27Å; V96-M332 HydrophobicContact CG2-CG 4.13Å; V96-M332 HydrophobicContact CG2-SD 3.96Å
97G96.2Very high95.1Very high11 Ų1119.6 Ų19.611%0.11312%0.117CC..  trans-83.2-148175.700000113V155 H330G97-V155 WeakPolarHBondContact CA-O 3.4Å; G97-V155 PolarHBondContact N-O 2.68Å; G97-H330 VanDerWaalsContact O-CB 3.24Å; G97-H330 WeakPolarHBondContact O-CB 3.49Å; G97-H330 PolarHBondContact O-N 3.32Å
98A96Very high95.4Very high10 Ų1019 Ų198%0.08311%0.113CC..BIsolated β-bridgetrans-70.5151.3177.700000112L103 A154 V155 A327 P328A98-L103 HydrophobicContact CB-CD2 4.03Å; A98-L103 HydrophobicContact CB-CG 3.87Å; A98-A154 VanDerWaalsContact O-CA 3.27Å; A98-A154 WeakPolarHBondContact O-CA 3.5Å; A98-A154 WeakPolarHBondContact O-CB 3.32Å; A98-V155 PolarHBondContact O-N 3.47Å; A98-A327 HydrophobicContact CB-CB 3.84Å; A98-P328 WeakPolarHBondContact CB-O 3.36Å
99S96.7Very high95.6Very high6 Ų620.8 Ų20.84%0.04213%0.133CC..BIsolated β-bridgetrans-67.4157.9170.681.80000111Q101 S102 L103 Y153 H330S99-Q101 PolarHBondContact O-N 2.89Å; S99-Q101 PolarHBondContact OG-N 3.15Å; S99-S102 PolarHBondContact O-N 2.64Å; S99-S102 WeakPolarHBondContact OG-CB 2.83Å; S99-S102 PolarHBondContact OG-N 2.98Å; S99-S102 PolarHBondContact OG-OG 3.48Å; S99-L103 WeakPolarHBondContact O-CG 3.36Å; S99-L103 PolarHBondContact O-N 3.27Å; S99-Y153 CarbonylContact C-O 3.5Å; S99-Y153 VanDerWaalsContact CA-O 3.22Å; S99-Y153 WeakPolarHBondContact CA-O 3.28Å; S99-H330 VanDerWaalsContact CB-CD2 3.49Å; S99-H330 WeakPolarHBondContact CB-CD2 3.43Å
100L97.5Very high95.8Very high0 Ų020.2 Ų20.20%013%0.127CC..Hα-helixtrans-62.4-33.2172.9-58.6-175000111.8L104 L127 P150 Y153 V155L100-L104 VanDerWaalsContact O-CB 3.29Å; L100-L104 WeakPolarHBondContact O-CB 3.44Å; L100-L104 PolarHBondContact O-N 3.4Å; L100-L127 HydrophobicContact CD1-CD1 4.34Å; L100-L127 HydrophobicContact CD1-CD2 4.34Å; L100-L127 HydrophobicContact CD2-CD1 3.88Å; L100-L127 HydrophobicContact CD2-CD2 3.49Å; L100-L127 VanDerWaalsContact CD2-CD2 3.49Å; L100-L127 HydrophobicContact CD2-CG 4.29Å; L100-P150 HydrophobicContact CB-CB 4.01Å; L100-P150 WeakPolarHBondContact CB-O 3.41Å; L100-P150 PolarHBondContact N-O 3.23Å; L100-Y153 HydrophobicContact CD1-CD2 4.21Å; L100-Y153 HydrophobicContact CD1-CG 4.11Å; L100-Y153 PolarHBondContact N-O 3.44Å; L100-V155 HydrophobicContact CD2-CG1 4.01Å
101Q96.4Very high96Very high26 Ų2624.5 Ų24.512%0.12115%0.146CC..Hα-helixtrans-63.4-47.7174.9-17458.658.900111.3S99 L103 L104 D105 P150 Q151S99-Q101 PolarHBondContact O-N 2.89Å; S99-Q101 PolarHBondContact OG-N 3.15Å; Q101-L103 VanDerWaalsContact C-N 3.33Å; Q101-L103 PolarHBondContact O-N 3.39Å; Q101-L104 WeakPolarHBondContact O-CB 3.14Å; Q101-L104 PolarHBondContact O-N 3.19Å; Q101-D105 VanDerWaalsContact NE2-CG 3.28Å; Q101-D105 PolarHBondContact NE2-OD1 2.78Å; Q101-D105 PolarHBondContact NE2-OD2 3.19Å; Q101-D105 VanDerWaalsContact NE2-OD2 3.11Å; Q101-D105 PolarHBondContact O-N 3.32Å; Q101-P150 HydrophobicContact CB-CB 4.07Å; Q101-Q151 HydrophobicContact CB-CG 3.89Å; Q101-Q151 HydrophobicContact CG-CG 4.16Å
102S96.3Very high96Very high26 Ų2624.8 Ų24.818%0.18215%0.148CC..Hα-helixtrans-63.5-40-179.4-57.20000111.7S99 S106 A327S99-S102 PolarHBondContact O-N 2.64Å; S99-S102 WeakPolarHBondContact OG-CB 2.83Å; S99-S102 PolarHBondContact OG-N 2.98Å; S99-S102 PolarHBondContact OG-OG 3.48Å; S102-S106 PolarHBondContact O-N 3.05Å; S102-S106 VanDerWaalsContact O-N 3.13Å; S102-A327 WeakPolarHBondContact O-CB 3.14Å
103L97Very high95.7Very high4 Ų430.6 Ų30.62%0.02119%0.185CC..Hα-helixtrans-63.5-48.9172.6-73.5174.1000111A98 S99 Q101 D105 S106 L107 F119 V155 W314 T324 A327A98-L103 HydrophobicContact CB-CD2 4.03Å; A98-L103 HydrophobicContact CB-CG 3.87Å; S99-L103 WeakPolarHBondContact O-CG 3.36Å; S99-L103 PolarHBondContact O-N 3.27Å; Q101-L103 VanDerWaalsContact C-N 3.33Å; Q101-L103 PolarHBondContact O-N 3.39Å; L103-D105 VanDerWaalsContact C-N 3.3Å; L103-D105 PolarHBondContact O-N 2.7Å; L103-S106 WeakPolarHBondContact O-CB 3.47Å; L103-S106 PolarHBondContact O-N 3.28Å; L103-S106 PolarHBondContact O-OG 3.39Å; L103-L107 WeakPolarHBondContact O-CG 3.23Å; L103-L107 PolarHBondContact O-N 2.85Å; L103-F119 HydrophobicContact CB-CE1 3.93Å; L103-F119 HydrophobicContact CB-CZ 3.57Å; L103-F119 HydrophobicContact CD1-CE1 4.43Å; L103-F119 HydrophobicContact CD1-CZ 4.44Å; L103-V155 HydrophobicContact CD1-CB 4.35Å; L103-V155 HydrophobicContact CD1-CG1 3.55Å; L103-V155 HydrophobicContact CD1-CG2 3.82Å; L103-W314 HydrophobicContact CD1-CD2 4.26Å; L103-W314 HydrophobicContact CD1-CE3 4.28Å; L103-W314 HydrophobicContact CD1-CG 4.38Å; L103-W314 HydrophobicContact CD2-CB 4.02Å; L103-T324 HydrophobicContact CD2-CG2 4.05Å; L103-A327 HydrophobicContact CD2-CB 3.95Å; L103-A327 HydrophobicContact CG-CB 4.48Å
104L97Very high95.3Very high5 Ų535.5 Ų35.53%0.02621%0.212CC..Hα-helixtrans-55.3-45.4177.3-173.765.5000111.9L100 Q101 S106 L107 N117 F119 Q223L100-L104 VanDerWaalsContact O-CB 3.29Å; L100-L104 WeakPolarHBondContact O-CB 3.44Å; L100-L104 PolarHBondContact O-N 3.4Å; Q101-L104 WeakPolarHBondContact O-CB 3.14Å; Q101-L104 PolarHBondContact O-N 3.19Å; L104-S106 VanDerWaalsContact C-N 3.25Å; L104-S106 PolarHBondContact O-N 2.92Å; L104-L107 PolarHBondContact O-N 3.4Å; L104-N117 VanDerWaalsContact CD1-O 3.27Å; L104-N117 WeakPolarHBondContact CD1-O 3.33Å; L104-N117 WeakPolarHBondContact O-CB 3.43Å; L104-N117 PolarHBondContact O-ND2 3.43Å; L104-F119 HydrophobicContact CB-CE2 3.89Å; L104-F119 HydrophobicContact CB-CZ 4.5Å; L104-F119 HydrophobicContact CD1-CD2 3.83Å; L104-F119 HydrophobicContact CD1-CE2 3.91Å; L104-F119 HydrophobicContact CG-CE2 4.5Å; L104-Q223 HydrophobicContact CD2-CG 4.07Å
105D96.3Very high95.2Very high91 Ų9136.1 Ų36.149%0.48723%0.225SC..Hα-helixtrans-65.6-30.2179.5-65.9-26.3000112.2Q101 L103 N117Q101-D105 VanDerWaalsContact NE2-CG 3.28Å; Q101-D105 PolarHBondContact NE2-OD1 2.78Å; Q101-D105 PolarHBondContact NE2-OD2 3.19Å; Q101-D105 VanDerWaalsContact NE2-OD2 3.11Å; Q101-D105 PolarHBondContact O-N 3.32Å; L103-D105 VanDerWaalsContact C-N 3.3Å; L103-D105 PolarHBondContact O-N 2.7Å; D105-N117 PolarHBondContact O-ND2 3.13Å
106S96.3Very high95.1Very high16 Ų1640.4 Ų40.411%0.11224%0.243CC..Hα-helixtrans-74.9-24.9177.577.20000114.1S102 L103 L104 T108 M323 T324S102-S106 PolarHBondContact O-N 3.05Å; S102-S106 VanDerWaalsContact O-N 3.13Å; L103-S106 WeakPolarHBondContact O-CB 3.47Å; L103-S106 PolarHBondContact O-N 3.28Å; L103-S106 PolarHBondContact O-OG 3.39Å; L104-S106 VanDerWaalsContact C-N 3.25Å; L104-S106 PolarHBondContact O-N 2.92Å; S106-T108 PolarHBondContact O-N 3.15Å; S106-M323 WeakPolarHBondContact CB-O 2.78Å; S106-M323 WeakPolarHBondContact O-CB 3.41Å; S106-T324 WeakPolarHBondContact OG-CA 3.35Å
107L96.3Very high95.2Very high0 Ų041.8 Ų41.80%025%0.25CC..  trans-75.158.4-176.4-68.1174.1000112.8L103 L104 A109 N110 N117 C118 F119 D313 Y320 T324L103-L107 WeakPolarHBondContact O-CG 3.23Å; L103-L107 PolarHBondContact O-N 2.85Å; L104-L107 PolarHBondContact O-N 3.4Å; L107-A109 VanDerWaalsContact C-N 3.29Å; L107-A109 PolarHBondContact O-N 2.89Å; L107-N110 PolarHBondContact O-N 3.07Å; L107-N117 HydrophobicContact CB-CB 4.49Å; L107-N117 WeakPolarHBondContact O-CB 3.47Å; L107-N117 VanDerWaalsContact O-CG 3.26Å; L107-N117 PolarHBondContact O-OD1 3.2Å; L107-C118 WeakPolarHBondContact CD1-O 3.2Å; L107-F119 HydrophobicContact CD1-CB 4.4Å; L107-F119 HydrophobicContact CD1-CD1 3.55Å; L107-F119 HydrophobicContact CD1-CD2 4.23Å; L107-F119 HydrophobicContact CD1-CE1 3.81Å; L107-F119 HydrophobicContact CD1-CE2 4.49Å; L107-F119 HydrophobicContact CD1-CG 3.81Å; L107-F119 HydrophobicContact CD1-CZ 4.3Å; L107-D313 HydrophobicContact CD2-CB 4.29Å; L107-Y320 HydrophobicContact CD2-CD2 4.16Å; L107-Y320 HydrophobicContact CD2-CG 3.85Å; L107-T324 HydrophobicContact CD2-CG2 3.74Å; L107-T324 HydrophobicContact CG-CG2 4.48Å
108T94.6Very high95.2Very high78 Ų7841.6 Ų41.648%0.47925%0.247SC..  trans-70.8-20.8-17355.90000113.9S106 K111 M323S106-T108 PolarHBondContact O-N 3.15Å; T108-K111 WeakPolarHBondContact O-CE 3.46Å; T108-K111 PolarHBondContact O-NZ 3.12Å; T108-K111 VanDerWaalsContact O-NZ 3.08Å; T108-M323 VanDerWaalsContact OG1-CE 3.23Å; T108-M323 WeakPolarHBondContact OG1-CE 3.48Å
109A94.6Very high95.3Very high61 Ų6141.3 Ų41.350%0.50424%0.244SC..SBendtrans-89.6-24.2175.700000114.4L107 Y320 M323L107-A109 VanDerWaalsContact C-N 3.29Å; L107-A109 PolarHBondContact O-N 2.89Å; A109-Y320 HydrophobicContact CB-CD1 4.44Å; A109-Y320 HydrophobicContact CB-CE1 4.27Å; A109-M323 HydrophobicContact CB-CE 3.36Å; A109-M323 HydrophobicContact CB-SD 3.6Å; A109-M323 PolarHBondContact N-SD 2.75Å
110N94.6Very high95.3Very high27 Ų2742.6 Ų42.614%0.14425%0.251CS..  trans-95.3109.3179.2-168.631.4000110.2L107 N117 C118 F119 T120 Y320L107-N110 PolarHBondContact O-N 3.07Å; N110-N117 WeakPolarHBondContact O-CA 3.4Å; N110-C118 PolarHBondContact ND2-O 3.3Å; N110-C118 PolarHBondContact O-N 3.11Å; N110-F119 PolarHBondContact ND2-O 2.74Å; N110-T120 PolarHBondContact ND2-N 3.37Å; N110-Y320 HydrophobicContact CB-CD1 4.46Å; N110-Y320 HydrophobicContact CB-CD2 4.26Å; N110-Y320 HydrophobicContact CB-CE1 3.99Å; N110-Y320 HydrophobicContact CB-CE2 3.73Å
111K95.1Very high95.3Very high98 Ų9844.8 Ų44.843%0.42626%0.263SS..BIsolated β-bridgetrans-113.6136.7-175.2-57.5-58.1-164.1-175.70111.7T108 K116 N117T108-K111 WeakPolarHBondContact O-CE 3.46Å; T108-K111 PolarHBondContact O-NZ 3.12Å; T108-K111 VanDerWaalsContact O-NZ 3.08Å; K111-K116 CarbonylContact C-O 3.55Å; K111-K116 VanDerWaalsContact CA-O 3.29Å; K111-K116 WeakPolarHBondContact CA-O 3.39Å; K111-N117 PolarHBondContact NZ-OD1 2.95Å
112S93.3Very high95.3Very high8 Ų844.2 Ų44.26%0.05626%0.259CS..  trans-60164.7161.768.30000110.6D114 G115 K116 C118 M226S112-D114 PolarHBondContact O-N 3.16Å; S112-D114 PolarHBondContact OG-N 2.72Å; S112-G115 PolarHBondContact O-N 3.23Å; S112-K116 PolarHBondContact N-O 3.5Å; S112-K116 PolarHBondContact OG-N 3.14Å; S112-K116 VanDerWaalsContact OG-N 3.14Å; S112-K116 PolarHBondContact OG-O 2.99Å; S112-C118 PolarHBondContact N-SG 2.9Å; S112-M226 WeakPolarHBondContact CB-O 3.32Å; S112-M226 PolarHBondContact OG-O 3.27Å
113P89.5Confident95.4Very high122 Ų12243 Ų4379%0.79225%0.251SS*.THydrogen-bonded Turntrans-52.6-27.3171.9-28.336.4000114.5G115P113-G115 VanDerWaalsContact C-N 3.3Å; P113-G115 PolarHBondContact O-N 2.92Å
114D88.7Confident95.5Very high109 Ų10942.8 Ų42.858%0.58325%0.25SC*.THydrogen-bonded Turntrans-86.78.9177.8-73.34.3000113.5S112 K116 K232S112-D114 PolarHBondContact O-N 3.16Å; S112-D114 PolarHBondContact OG-N 2.72Å; D114-K116 VanDerWaalsContact C-N 3.28Å; D114-K116 PolarHBondContact O-N 3.31Å; D114-K232 IonicContact OD2-NZ 3.11Å; D114-K232 PolarHBondContact OD2-NZ 3.16Å
115G93.9Very high95.5Very high44 Ų4442.7 Ų42.745%0.45425%0.249SC..SBendtrans74.59.5178.500000115.4S112 P113S112-G115 PolarHBondContact O-N 3.23Å; P113-G115 VanDerWaalsContact C-N 3.3Å; P113-G115 PolarHBondContact O-N 2.92Å
116K95.4Very high95.6Very high105 Ų10539.7 Ų39.746%0.45723%0.232SC..  trans-86.6145.9174.2-59-59.5-177.1179.50111.7K111 S112 D114 C118K111-K116 CarbonylContact C-O 3.55Å; K111-K116 VanDerWaalsContact CA-O 3.29Å; K111-K116 WeakPolarHBondContact CA-O 3.39Å; S112-K116 PolarHBondContact N-O 3.5Å; S112-K116 PolarHBondContact OG-N 3.14Å; S112-K116 VanDerWaalsContact OG-N 3.14Å; S112-K116 PolarHBondContact OG-O 2.99Å; D114-K116 VanDerWaalsContact C-N 3.28Å; D114-K116 PolarHBondContact O-N 3.31Å; K116-C118 PolarHBondContact O-N 2.66Å
117N97Very high95.7Very high30 Ų3038.9 Ų38.916%0.1623%0.227CC..BIsolated β-bridgetrans-58.5137.1173.9-61.1-0.5000109.7L104 D105 L107 N110 K111 G227L104-N117 VanDerWaalsContact CD1-O 3.27Å; L104-N117 WeakPolarHBondContact CD1-O 3.33Å; L104-N117 WeakPolarHBondContact O-CB 3.43Å; L104-N117 PolarHBondContact O-ND2 3.43Å; D105-N117 PolarHBondContact O-ND2 3.13Å; L107-N117 HydrophobicContact CB-CB 4.49Å; L107-N117 WeakPolarHBondContact O-CB 3.47Å; L107-N117 VanDerWaalsContact O-CG 3.26Å; L107-N117 PolarHBondContact O-OD1 3.2Å; N110-N117 WeakPolarHBondContact O-CA 3.4Å; K111-N117 PolarHBondContact NZ-OD1 2.95Å; N117-G227 WeakPolarHBondContact O-CA 3.41Å
118C97.4Very high95.8Very high8 Ų838.9 Ų38.95%0.05423%0.227CC..  trans-142.3161.4174.960.40000110.7L107 N110 S112 K116 T225L107-C118 WeakPolarHBondContact CD1-O 3.2Å; N110-C118 PolarHBondContact ND2-O 3.3Å; N110-C118 PolarHBondContact O-N 3.11Å; S112-C118 PolarHBondContact N-SG 2.9Å; K116-C118 PolarHBondContact O-N 2.66Å; C118-T225 WeakPolarHBondContact CB-O 3.49Å
119F97.9Very high96Very high4 Ų436.1 Ų36.12%0.01821%0.21CC..  trans-75.6158.8165.1-69.6-92.6000110.2L103 L104 L107 N110 A124 L127 V224 D313 W314L103-F119 HydrophobicContact CB-CE1 3.93Å; L103-F119 HydrophobicContact CB-CZ 3.57Å; L103-F119 HydrophobicContact CD1-CE1 4.43Å; L103-F119 HydrophobicContact CD1-CZ 4.44Å; L104-F119 HydrophobicContact CB-CE2 3.89Å; L104-F119 HydrophobicContact CB-CZ 4.5Å; L104-F119 HydrophobicContact CD1-CD2 3.83Å; L104-F119 HydrophobicContact CD1-CE2 3.91Å; L104-F119 HydrophobicContact CG-CE2 4.5Å; L107-F119 HydrophobicContact CD1-CB 4.4Å; L107-F119 HydrophobicContact CD1-CD1 3.55Å; L107-F119 HydrophobicContact CD1-CD2 4.23Å; L107-F119 HydrophobicContact CD1-CE1 3.81Å; L107-F119 HydrophobicContact CD1-CE2 4.49Å; L107-F119 HydrophobicContact CD1-CG 3.81Å; L107-F119 HydrophobicContact CD1-CZ 4.3Å; N110-F119 PolarHBondContact ND2-O 2.74Å; F119-A124 HydrophobicContact CB-CB 4.35Å; F119-L127 HydrophobicContact CD1-CD1 4.21Å; F119-L127 HydrophobicContact CD2-CD1 4.25Å; F119-L127 HydrophobicContact CE1-CD1 4.11Å; F119-L127 HydrophobicContact CE2-CD1 4.11Å; F119-L127 HydrophobicContact CG-CD1 4.25Å; F119-L127 HydrophobicContact CZ-CD1 4.03Å; F119-V224 HydrophobicContact CD2-CB 3.6Å; F119-V224 HydrophobicContact CD2-CG1 4.23Å; F119-V224 WeakPolarHBondContact CD2-O 3.27Å; F119-V224 HydrophobicContact CE2-CB 3.89Å; F119-V224 HydrophobicContact CE2-CG1 3.98Å; F119-V224 PolarHBondContact N-O 3.5Å; F119-D313 WeakPolarHBondContact CA-OD2 3.49Å; F119-D313 WeakPolarHBondContact CB-OD2 3.12Å; F119-D313 HydrophobicContact CD1-CB 4.29Å; F119-D313 VanDerWaalsContact CD1-OD2 3.32Å; F119-D313 WeakPolarHBondContact CD1-OD2 3.38Å; F119-W314 HydrophobicContact CD1-CE3 4.05Å; F119-W314 AromaticContact CD1-CZ3 3.69Å; F119-W314 HydrophobicContact CD1-CZ3 3.69Å; F119-W314 AromaticContact CE1-CE3 3.68Å; F119-W314 HydrophobicContact CE1-CE3 3.68Å; F119-W314 AromaticContact CE1-CZ3 3.56Å; F119-W314 HydrophobicContact CE1-CZ3 3.56Å
120T97Very high96.2Very high32 Ų3234.5 Ų34.520%0.19619%0.192CC..  trans-61153.9164.7660000109.5N110 R122 S123 A124 D313 Y320N110-T120 PolarHBondContact ND2-N 3.37Å; T120-R122 PolarHBondContact O-N 2.7Å; T120-S123 PolarHBondContact O-N 3.27Å; T120-S123 VanDerWaalsContact O-N 3.13Å; T120-S123 WeakPolarHBondContact OG1-CB 3.32Å; T120-S123 PolarHBondContact OG1-N 3.09Å; T120-S123 PolarHBondContact OG1-OG 3.02Å; T120-A124 WeakPolarHBondContact O-CB 3.5Å; T120-A124 PolarHBondContact O-N 2.87Å; T120-D313 WeakPolarHBondContact CB-OD1 3.16Å; T120-D313 WeakPolarHBondContact CG2-OD1 3.25Å; T120-D313 PolarHBondContact N-OD2 2.76Å; T120-D313 PolarHBondContact OG1-OD1 2.84Å; T120-Y320 HydrophobicContact CG2-CD2 4.16Å; T120-Y320 HydrophobicContact CG2-CE2 3.55Å
121L97.1Very high96.4Very high47 Ų4733.2 Ų33.225%0.24619%0.185CC..Hα-helixtrans-58.2-36.3177.5-177.861.8000111.7S123 A124 I125 T225 P269 V300 K304 F306L121-S123 PolarHBondContact O-N 3.27Å; L121-A124 PolarHBondContact O-N 2.99Å; L121-I125 HydrophobicContact CD1-CD1 4.26Å; L121-I125 HydrophobicContact CD1-CG1 4.01Å; L121-I125 HydrophobicContact CG-CG1 4.36Å; L121-I125 VanDerWaalsContact O-CG1 3.28Å; L121-I125 WeakPolarHBondContact O-CG1 3.32Å; L121-I125 PolarHBondContact O-N 3.22Å; L121-T225 HydrophobicContact CD1-CG2 4.18Å; L121-P269 HydrophobicContact CD1-CG 3.76Å; L121-P269 HydrophobicContact CD2-CG 4.23Å; L121-V300 HydrophobicContact CD2-CG1 4.34Å; L121-K304 HydrophobicContact CD2-CD 4.38Å; L121-K304 HydrophobicContact CD2-CG 4.12Å; L121-F306 HydrophobicContact CB-CZ 4.19Å; L121-F306 HydrophobicContact CD2-CE2 4.39Å; L121-F306 HydrophobicContact CD2-CZ 4.21Å; L121-F306 HydrophobicContact CG-CE2 4.07Å; L121-F306 HydrophobicContact CG-CZ 4.07Å
122R97.1Very high96.6Very high14 Ų1428.5 Ų28.55%0.05317%0.165CC..Hα-helixtrans-59.6-47.3176.7174.260.7-171.779.7-0.3111.6T120 H126 F306 T307 M310T120-R122 PolarHBondContact O-N 2.7Å; R122-H126 PolarHBondContact O-N 2.74Å; R122-F306 HydrophobicContact CB-CD1 4.15Å; R122-F306 HydrophobicContact CB-CD2 4.44Å; R122-F306 HydrophobicContact CB-CE1 3.88Å; R122-F306 HydrophobicContact CB-CE2 4.2Å; R122-F306 HydrophobicContact CB-CG 4.43Å; R122-F306 HydrophobicContact CB-CZ 3.91Å; R122-F306 VanDerWaalsContact CD-CG 3.41Å; R122-F306 HydrophobicContact CG-CD1 4.39Å; R122-F306 HydrophobicContact CG-CG 4.47Å; R122-T307 PolarHBondContact NE-O 2.8Å; R122-T307 VanDerWaalsContact NE-O 3.15Å; R122-T307 PolarHBondContact NH2-O 3.24Å; R122-M310 HydrophobicContact CG-CB 4.34Å
123S97.9Very high96.8Very high0 Ų030.2 Ų30.20%017%0.172CC..Hα-helixtrans-70.2-40.7178.9-67.50000112T120 L121 I125 H126 L127 L312 D313T120-S123 PolarHBondContact O-N 3.27Å; T120-S123 VanDerWaalsContact O-N 3.13Å; T120-S123 WeakPolarHBondContact OG1-CB 3.32Å; T120-S123 PolarHBondContact OG1-N 3.09Å; T120-S123 PolarHBondContact OG1-OG 3.02Å; L121-S123 PolarHBondContact O-N 3.27Å; S123-I125 PolarHBondContact O-N 3.35Å; S123-H126 VanDerWaalsContact O-CB 3.29Å; S123-H126 WeakPolarHBondContact O-CB 3.24Å; S123-H126 PolarHBondContact O-N 3.23Å; S123-L127 WeakPolarHBondContact O-CG 3.31Å; S123-L127 PolarHBondContact O-N 2.85Å; S123-L312 WeakPolarHBondContact OG-CA 3.1Å; S123-D313 VanDerWaalsContact CB-CG 3.47Å; S123-D313 WeakPolarHBondContact CB-OD1 3.42Å; S123-D313 WeakPolarHBondContact CB-OD2 3.33Å; S123-D313 PolarHBondContact OG-N 3.41Å; S123-D313 PolarHBondContact OG-OD1 3.41Å; S123-D313 PolarHBondContact OG-OD2 3Å
124A98.1Very high97.2Very high0 Ų024.6 Ų24.60%014%0.137CC..Hα-helixtrans-61.7-41.7177.700000112.7F119 T120 L121 L127 A128 T225F119-A124 HydrophobicContact CB-CB 4.35Å; T120-A124 WeakPolarHBondContact O-CB 3.5Å; T120-A124 PolarHBondContact O-N 2.87Å; L121-A124 PolarHBondContact O-N 2.99Å; A124-L127 PolarHBondContact O-N 3.08Å; A124-A128 WeakPolarHBondContact O-CB 3.28Å; A124-A128 PolarHBondContact O-N 2.88Å; A124-T225 HydrophobicContact CB-CG2 4.29Å; A124-T225 WeakPolarHBondContact CB-OG1 3.35Å
125I98.1Very high97.7Very high2 Ų219.4 Ų19.41%0.0111%0.109CC..Hα-helixtrans-68.3-36.4176.3-62.9-60.1000111.6L121 S123 A128 V129 F272 L297 V300L121-I125 HydrophobicContact CD1-CD1 4.26Å; L121-I125 HydrophobicContact CD1-CG1 4.01Å; L121-I125 HydrophobicContact CG-CG1 4.36Å; L121-I125 VanDerWaalsContact O-CG1 3.28Å; L121-I125 WeakPolarHBondContact O-CG1 3.32Å; L121-I125 PolarHBondContact O-N 3.22Å; S123-I125 PolarHBondContact O-N 3.35Å; I125-A128 WeakPolarHBondContact O-CB 3.45Å; I125-A128 PolarHBondContact O-N 3Å; I125-V129 WeakPolarHBondContact O-CG2 3.44Å; I125-V129 PolarHBondContact O-N 2.69Å; I125-V129 VanDerWaalsContact O-N 3.13Å; I125-F272 HydrophobicContact CD1-CE2 3.8Å; I125-F272 HydrophobicContact CD1-CZ 4.05Å; I125-L297 HydrophobicContact CD1-CD2 4.15Å; I125-V300 HydrophobicContact CD1-CB 4.13Å; I125-V300 HydrophobicContact CD1-CG1 4.01Å; I125-V300 HydrophobicContact CD1-CG2 4.08Å; I125-V300 HydrophobicContact CG1-CB 4.28Å; I125-V300 HydrophobicContact CG1-CG1 3.9Å
126H98Very high97.9Very high28 Ų2819.6 Ų19.613%0.1310%0.098CC..Hα-helixtrans-56.9-51.7171.9-172.487.8000111.5R122 S123 A128 V129 L130 R162 L312R122-H126 PolarHBondContact O-N 2.74Å; S123-H126 VanDerWaalsContact O-CB 3.29Å; S123-H126 WeakPolarHBondContact O-CB 3.24Å; S123-H126 PolarHBondContact O-N 3.23Å; H126-A128 VanDerWaalsContact C-N 3.31Å; H126-A128 PolarHBondContact O-N 3.35Å; H126-V129 PolarHBondContact O-N 3.06Å; H126-L130 WeakPolarHBondContact NE2-CD1 3.24Å; H126-L130 PolarHBondContact O-N 3.03Å; H126-L130 VanDerWaalsContact O-N 3.13Å; H126-R162 PolarHBondContact NE2-O 3.31Å; H126-L312 HydrophobicContact CB-CD2 3.83Å
127L98.4Very high98.1Very high0 Ų015.5 Ų15.50%08%0.081CC..Hα-helixtrans-60-42.7177.5-66.4176.5000111.1L100 F119 S123 A124 V129 L130 C131 V164 W314L100-L127 HydrophobicContact CD1-CD1 4.34Å; L100-L127 HydrophobicContact CD1-CD2 4.34Å; L100-L127 HydrophobicContact CD2-CD1 3.88Å; L100-L127 HydrophobicContact CD2-CD2 3.49Å; L100-L127 VanDerWaalsContact CD2-CD2 3.49Å; L100-L127 HydrophobicContact CD2-CG 4.29Å; F119-L127 HydrophobicContact CD1-CD1 4.21Å; F119-L127 HydrophobicContact CD2-CD1 4.25Å; F119-L127 HydrophobicContact CE1-CD1 4.11Å; F119-L127 HydrophobicContact CE2-CD1 4.11Å; F119-L127 HydrophobicContact CG-CD1 4.25Å; F119-L127 HydrophobicContact CZ-CD1 4.03Å; S123-L127 WeakPolarHBondContact O-CG 3.31Å; S123-L127 PolarHBondContact O-N 2.85Å; A124-L127 PolarHBondContact O-N 3.08Å; L127-V129 VanDerWaalsContact C-N 3.32Å; L127-V129 PolarHBondContact O-N 2.87Å; L127-L130 PolarHBondContact O-N 3.45Å; L127-C131 WeakPolarHBondContact O-CB 3.15Å; L127-C131 PolarHBondContact O-N 3.29Å; L127-C131 PolarHBondContact O-SG 3.19Å; L127-V164 HydrophobicContact CD2-CG2 3.69Å; L127-W314 HydrophobicContact CD1-CH2 4.06Å; L127-W314 HydrophobicContact CD1-CZ3 4.08Å; L127-W314 HydrophobicContact CD2-CH2 3.46Å; L127-W314 VanDerWaalsContact CD2-CH2 3.46Å; L127-W314 HydrophobicContact CD2-CZ2 4.01Å; L127-W314 HydrophobicContact CD2-CZ3 4.24Å; L127-W314 HydrophobicContact CG-CH2 3.68Å; L127-W314 HydrophobicContact CG-CZ3 4.21Å
128A98.6Very high98.2Very high0 Ų014 Ų140%07%0.073CC..Hα-helixtrans-54.5-47.8178.100000112A124 I125 H126 L132 W217 I221 L297A124-A128 WeakPolarHBondContact O-CB 3.28Å; A124-A128 PolarHBondContact O-N 2.88Å; I125-A128 WeakPolarHBondContact O-CB 3.45Å; I125-A128 PolarHBondContact O-N 3Å; H126-A128 VanDerWaalsContact C-N 3.31Å; H126-A128 PolarHBondContact O-N 3.35Å; A128-L132 WeakPolarHBondContact O-CB 3.48Å; A128-L132 PolarHBondContact O-N 3.45Å; A128-W217 HydrophobicContact CB-CZ2 3.98Å; A128-W217 VanDerWaalsContact O-CZ2 3.31Å; A128-W217 WeakPolarHBondContact O-CZ2 3.48Å; A128-W217 PolarHBondContact O-NE1 2.74Å; A128-I221 HydrophobicContact CB-CD1 4.02Å; A128-I221 HydrophobicContact CB-CG1 3.92Å; A128-I221 HydrophobicContact CB-CG2 3.76Å; A128-L297 HydrophobicContact CB-CD1 3.97Å; A128-L297 HydrophobicContact CB-CD2 3.79Å
129V98.5Very high98.2Very high20 Ų2013.9 Ų13.912%0.1217%0.072CC..Hα-helixtrans-64.9-53.6179.6175.50000111.2I125 H126 L127 L132 Q133 Y294 L297 M298I125-V129 WeakPolarHBondContact O-CG2 3.44Å; I125-V129 PolarHBondContact O-N 2.69Å; I125-V129 VanDerWaalsContact O-N 3.13Å; H126-V129 PolarHBondContact O-N 3.06Å; L127-V129 VanDerWaalsContact C-N 3.32Å; L127-V129 PolarHBondContact O-N 2.87Å; V129-L132 PolarHBondContact O-N 3.01Å; V129-Q133 WeakPolarHBondContact O-CG 3.46Å; V129-Q133 PolarHBondContact O-N 3.22Å; V129-Y294 HydrophobicContact CG1-CD1 4.24Å; V129-Y294 HydrophobicContact CG1-CE1 4.22Å; V129-L297 HydrophobicContact CG2-CB 4.06Å; V129-L297 HydrophobicContact CG2-CD1 3.82Å; V129-M298 HydrophobicContact CG2-CE 3.58Å
130L98.5Very high98.2Very high26 Ų2621 Ų2114%0.13610%0.103CC..Hα-helixtrans-71.5-34.4-172.2-64-166.5000113.3H126 L127 L132 Q133 G134 R162 V164H126-L130 WeakPolarHBondContact NE2-CD1 3.24Å; H126-L130 PolarHBondContact O-N 3.03Å; H126-L130 VanDerWaalsContact O-N 3.13Å; L127-L130 PolarHBondContact O-N 3.45Å; L130-L132 VanDerWaalsContact C-N 3.32Å; L130-Q133 PolarHBondContact O-N 3.11Å; L130-G134 PolarHBondContact O-N 2.63Å; L130-R162 WeakPolarHBondContact CD1-O 3.42Å; L130-V164 HydrophobicContact CB-CB 3.85Å; L130-V164 HydrophobicContact CB-CG2 3.93Å; L130-V164 HydrophobicContact CD1-CB 4.31Å; L130-V164 HydrophobicContact CD1-CG2 3.93Å
131C98.8Very high98.2Very high0 Ų020.4 Ų20.40%010%0.098CC..Hα-helixtrans-62.1-43.1172.2-65.60000110.5L127 Q133 G134 L135 Y153L127-C131 WeakPolarHBondContact O-CB 3.15Å; L127-C131 PolarHBondContact O-N 3.29Å; L127-C131 PolarHBondContact O-SG 3.19Å; C131-Q133 PolarHBondContact O-N 2.74Å; C131-G134 PolarHBondContact O-N 2.99Å; C131-L135 PolarHBondContact O-N 3.46Å; C131-Y153 HydrophobicContact CB-CD1 4.13Å; C131-Y153 HydrophobicContact CB-CE1 3.59Å; C131-Y153 HydrophobicContact CB-CE2 4.26Å
132L98.8Very high98.3Very high0 Ų018.2 Ų18.20%09%0.087CC..Hα-helixtrans-66.8-37.7179.7-171.364.5000112.1A128 V129 L130 G134 L135 E136 V214 W217 Y290 I293 Y294A128-L132 WeakPolarHBondContact O-CB 3.48Å; A128-L132 PolarHBondContact O-N 3.45Å; V129-L132 PolarHBondContact O-N 3.01Å; L130-L132 VanDerWaalsContact C-N 3.32Å; L132-G134 VanDerWaalsContact C-N 3.31Å; L132-G134 PolarHBondContact O-N 3.36Å; L132-L135 PolarHBondContact O-N 3.11Å; L132-E136 WeakPolarHBondContact O-CB 3.47Å; L132-E136 PolarHBondContact O-N 3.35Å; L132-V214 HydrophobicContact CD1-CG1 4.29Å; L132-V214 HydrophobicContact CD1-CG2 4.44Å; L132-W217 HydrophobicContact CB-CZ2 4.08Å; L132-W217 HydrophobicContact CD1-CD2 4.07Å; L132-W217 HydrophobicContact CD1-CE3 4.34Å; L132-W217 HydrophobicContact CD1-CG 4.38Å; L132-W217 HydrophobicContact CD2-CH2 4.31Å; L132-W217 HydrophobicContact CD2-CZ2 4.18Å; L132-Y290 HydrophobicContact CD1-CD1 3.93Å; L132-Y290 HydrophobicContact CD1-CE1 4.21Å; L132-Y290 HydrophobicContact CD2-CD1 4.45Å; L132-Y290 HydrophobicContact CG-CD1 4.12Å; L132-I293 HydrophobicContact CD2-CB 3.82Å; L132-I293 HydrophobicContact CD2-CD1 4.35Å; L132-I293 HydrophobicContact CD2-CG2 3.38Å; L132-Y294 HydrophobicContact CB-CE1 4Å; L132-Y294 HydrophobicContact CD2-CD1 4.1Å; L132-Y294 HydrophobicContact CD2-CE1 3.66Å; L132-Y294 HydrophobicContact CG-CE1 4.02Å; L132-Y294 PolarHBondContact O-OH 3.04Å
133Q98.6Very high98.3Very high43 Ų4318.1 Ų18.120%0.2019%0.086CC..Hα-helixtrans-58.1-42.8174.5-73.1178.1-12.900112R74 N75 V129 L130 C131 L135 E136 D137 Y294R74-Q133 PolarHBondContact NH2-O 2.79Å; N75-Q133 VanDerWaalsContact OD1-CB 3.25Å; N75-Q133 WeakPolarHBondContact OD1-CB 3.49Å; N75-Q133 PolarHBondContact OD1-OE1 3.26Å; N75-Q133 VanDerWaalsContact OD1-OE1 3.13Å; V129-Q133 WeakPolarHBondContact O-CG 3.46Å; V129-Q133 PolarHBondContact O-N 3.22Å; L130-Q133 PolarHBondContact O-N 3.11Å; C131-Q133 PolarHBondContact O-N 2.74Å; Q133-L135 VanDerWaalsContact C-N 3.34Å; Q133-L135 PolarHBondContact O-N 3.44Å; Q133-E136 PolarHBondContact O-N 2.84Å; Q133-D137 PolarHBondContact O-N 3.47Å; Q133-Y294 WeakPolarHBondContact CA-OH 3.45Å; Q133-Y294 HydrophobicContact CG-CE1 3.94Å; Q133-Y294 WeakPolarHBondContact CG-OH 3.2Å; Q133-Y294 PolarHBondContact N-OH 3.42Å; Q133-Y294 VanDerWaalsContact N-OH 3.12Å
134G98.5Very high98.3Very high5 Ų518.2 Ų18.25%0.0529%0.087CC..Hα-helixtrans-62.3-39.417500000113.4L130 C131 L132 L138L130-G134 PolarHBondContact O-N 2.63Å; C131-G134 PolarHBondContact O-N 2.99Å; L132-G134 VanDerWaalsContact C-N 3.31Å; L132-G134 PolarHBondContact O-N 3.36Å; G134-L138 PolarHBondContact O-N 3.27Å; G134-L138 VanDerWaalsContact O-N 3.1Å
135L98.5Very high98.3Very high0 Ų018.2 Ų18.20%09%0.087CC..Hα-helixtrans-70.2-39.7174.9-62-173.1000113C131 L132 Q133 D137 L138 H139 I148 Y153 W217C131-L135 PolarHBondContact O-N 3.46Å; L132-L135 PolarHBondContact O-N 3.11Å; Q133-L135 VanDerWaalsContact C-N 3.34Å; Q133-L135 PolarHBondContact O-N 3.44Å; L135-D137 VanDerWaalsContact C-N 3.31Å; L135-D137 PolarHBondContact O-N 3.19Å; L135-L138 PolarHBondContact O-N 3.46Å; L135-H139 WeakPolarHBondContact O-CB 3.29Å; L135-H139 PolarHBondContact O-N 2.88Å; L135-H139 PolarHBondContact O-ND1 3.45Å; L135-I148 HydrophobicContact CD1-CD1 4.33Å; L135-I148 HydrophobicContact CD1-CG1 4.15Å; L135-I148 HydrophobicContact CD1-CG2 4.45Å; L135-I148 HydrophobicContact CD2-CD1 3.36Å; L135-I148 HydrophobicContact CD2-CG1 4.01Å; L135-I148 HydrophobicContact CG-CD1 4.44Å; L135-Y153 WeakPolarHBondContact CD1-OH 3.37Å; L135-Y153 WeakPolarHBondContact CG-OH 3.31Å; L135-W217 HydrophobicContact CD1-CB 3.74Å; L135-W217 HydrophobicContact CD1-CG 4.3Å
136E98.7Very high98.3Very high48 Ų4819.8 Ų19.822%0.2249%0.093CC..Hα-helixtrans-59-44.6175.5-178179.4-140.300110.6R74 L132 Q133 H139 F140 Y290 Y294R74-E136 IonicContact CZ-OE2 2.71Å; R74-E136 IonicContact NH1-OE2 3.1Å; R74-E136 PolarHBondContact NH1-OE2 3.1Å; R74-E136 VanDerWaalsContact NH1-OE2 3.14Å; R74-E136 IonicContact NH2-OE2 3.28Å; R74-E136 PolarHBondContact NH2-OE2 3.29Å; L132-E136 WeakPolarHBondContact O-CB 3.47Å; L132-E136 PolarHBondContact O-N 3.35Å; Q133-E136 PolarHBondContact O-N 2.84Å; E136-H139 PolarHBondContact O-N 2.97Å; E136-F140 WeakPolarHBondContact O-CB 3.36Å; E136-F140 PolarHBondContact O-N 3.04Å; E136-Y290 HydrophobicContact CB-CD1 4.05Å; E136-Y290 HydrophobicContact CB-CD2 4.44Å; E136-Y290 HydrophobicContact CB-CE1 4.21Å; E136-Y290 HydrophobicContact CB-CG 4.2Å; E136-Y290 HydrophobicContact CG-CD1 4.28Å; E136-Y290 HydrophobicContact CG-CD2 3.82Å; E136-Y290 HydrophobicContact CG-CE2 4.14Å; E136-Y290 HydrophobicContact CG-CG 3.92Å; E136-Y290 VanDerWaalsContact OE1-CB 3.32Å; E136-Y290 WeakPolarHBondContact OE1-CB 3.34Å; E136-Y294 WeakPolarHBondContact OE2-CE2 3.46Å; E136-Y294 PolarHBondContact OE2-OH 3.3Å
137D98.6Very high98.2Very high18 Ų1819 Ų1910%0.0969%0.09CC..Hα-helixtrans-64.8-41.2176.7-68.3-15.8000112.1L68 A73 R74 Q133 L135 F140 I141L68-D137 HydrophobicContact CD2-CB 4.33Å; A73-D137 HydrophobicContact CB-CB 3.77Å; R74-D137 WeakPolarHBondContact CB-OD2 3.4Å; R74-D137 IonicContact CZ-OD1 2.68Å; R74-D137 VanDerWaalsContact CZ-OD1 3.28Å; R74-D137 IonicContact CZ-OD2 3.55Å; R74-D137 PolarHBondContact N-OD2 3.07Å; R74-D137 IonicContact NE-OD1 3.07Å; R74-D137 PolarHBondContact NE-OD1 2.86Å; R74-D137 VanDerWaalsContact NE-OD1 3.1Å; R74-D137 IonicContact NE-OD2 2.74Å; R74-D137 PolarHBondContact NE-OD2 2.86Å; R74-D137 VanDerWaalsContact NE-OD2 3.16Å; R74-D137 IonicContact NH2-OD1 3.51Å; R74-D137 PolarHBondContact NH2-OD1 3.19Å; R74-D137 IonicContact NH2-OD2 3.98Å; Q133-D137 PolarHBondContact O-N 3.47Å; L135-D137 VanDerWaalsContact C-N 3.31Å; L135-D137 PolarHBondContact O-N 3.19Å; D137-F140 WeakPolarHBondContact O-CB 3.42Å; D137-F140 PolarHBondContact O-N 3.49Å; D137-I141 PolarHBondContact O-N 3.21Å
138L98.6Very high98.2Very high0 Ų019 Ų190%09%0.09CC..Hα-helixtrans-62.9-43.7175.2-177.668.1000112V64 L68 G134 L135 F140 I141 G142 Y143 H145 F169V64-L138 HydrophobicContact CG1-CD1 3.48Å; V64-L138 VanDerWaalsContact CG1-CD1 3.48Å; L68-L138 HydrophobicContact CD1-CD1 4.28Å; G134-L138 PolarHBondContact O-N 3.27Å; G134-L138 VanDerWaalsContact O-N 3.1Å; L135-L138 PolarHBondContact O-N 3.46Å; L138-F140 VanDerWaalsContact C-N 3.3Å; L138-F140 PolarHBondContact O-N 2.87Å; L138-I141 HydrophobicContact CD1-CD1 4.32Å; L138-I141 WeakPolarHBondContact O-CG1 3.31Å; L138-I141 PolarHBondContact O-N 2.77Å; L138-G142 PolarHBondContact O-N 3.16Å; L138-Y143 CarbonylContact C-O 3.5Å; L138-Y143 PolarHBondContact O-N 3.01Å; L138-Y143 VanDerWaalsContact O-O 3.14Å; L138-H145 HydrophobicContact CD2-CB 3.6Å; L138-F169 HydrophobicContact CD1-CD1 4.22Å; L138-F169 HydrophobicContact CD1-CE1 4.22Å
139H98.6Very high98.1Very high4 Ų420 Ų202%0.0199%0.094CC..Hα-helixtrans-66.3-35.3176.4-66.8153.8000111.6L135 E136 G142 Y143 Y175 R210 D213 Y290L135-H139 WeakPolarHBondContact O-CB 3.29Å; L135-H139 PolarHBondContact O-N 2.88Å; L135-H139 PolarHBondContact O-ND1 3.45Å; E136-H139 PolarHBondContact O-N 2.97Å; H139-G142 PolarHBondContact O-N 3.1Å; H139-Y143 PolarHBondContact CD2-O 3.34Å; H139-Y143 VanDerWaalsContact CD2-O 3.29Å; H139-Y175 WeakPolarHBondContact O-CE1 3.48Å; H139-Y175 PolarHBondContact O-OH 3.05Å; H139-R210 HydrophobicContact CB-CG 4.13Å; H139-D213 IonicContact NE2-OD2 2.73Å; H139-D213 PolarHBondContact NE2-OD2 3.24Å; H139-D213 VanDerWaalsContact NE2-OD2 3.11Å; H139-Y290 AromaticContact ND1-CZ 3.69Å; H139-Y290 PolarHBondContact ND1-OH 3.16Å
140F97.6Very high98Very high154 Ų15419 Ų1968%0.6759%0.088SC*.Hα-helixtrans-61.1-42.1177.3178-100.7000112I71 E136 D137 L138 G142I71-F140 HydrophobicContact CD1-CD1 4Å; I71-F140 HydrophobicContact CD1-CE1 4.48Å; E136-F140 WeakPolarHBondContact O-CB 3.36Å; E136-F140 PolarHBondContact O-N 3.04Å; D137-F140 WeakPolarHBondContact O-CB 3.42Å; D137-F140 PolarHBondContact O-N 3.49Å; L138-F140 VanDerWaalsContact C-N 3.3Å; L138-F140 PolarHBondContact O-N 2.87Å; F140-G142 PolarHBondContact O-N 2.71Å
141I97.4Very high97.9Very high20 Ų2020 Ų2010%0.1039%0.092CC..THydrogen-bonded Turntrans-77.65.317464.7157.3000113.7V64 E67 L68 I71 D137 L138 Y143V64-I141 HydrophobicContact CG1-CD1 4.28Å; E67-I141 HydrophobicContact CB-CD1 3.78Å; L68-I141 HydrophobicContact CD2-CD1 3.62Å; L68-I141 HydrophobicContact CD2-CG1 4Å; L68-I141 HydrophobicContact CD2-CG2 4.48Å; L68-I141 HydrophobicContact CG-CD1 3.61Å; I71-I141 HydrophobicContact CD1-CG2 3.5Å; I71-I141 HydrophobicContact CG1-CG2 4.17Å; I71-I141 HydrophobicContact CG2-CG2 4.37Å; D137-I141 PolarHBondContact O-N 3.21Å; L138-I141 HydrophobicContact CD1-CD1 4.32Å; L138-I141 WeakPolarHBondContact O-CG1 3.31Å; L138-I141 PolarHBondContact O-N 2.77Å; I141-Y143 HydrophobicContact CD1-CD2 3.81Å; I141-Y143 HydrophobicContact CD1-CE2 4.3Å; I141-Y143 HydrophobicContact CG1-CD2 3.93Å; I141-Y143 WeakPolarHBondContact O-CD2 3.38Å
142G98Very high97.8Very high0 Ų020.3 Ų20.30%09%0.093CC..THydrogen-bonded Turntrans86.418.7170.300000115.8L138 H139 F140 K174 Y175 L176L138-G142 PolarHBondContact O-N 3.16Å; H139-G142 PolarHBondContact O-N 3.1Å; F140-G142 PolarHBondContact O-N 2.71Å; G142-K174 CarbonylContact O-C 3.54Å; G142-K174 WeakPolarHBondContact O-CA 3.35Å; G142-K174 WeakPolarHBondContact O-CG 3.49Å; G142-Y175 VanDerWaalsContact CA-CE1 3.43Å; G142-Y175 WeakPolarHBondContact O-CD1 3.34Å; G142-Y175 PolarHBondContact O-N 2.96Å; G142-L176 PolarHBondContact O-N 2.94Å
143Y98.2Very high97.8Very high12 Ų1220.3 Ų20.35%0.0479%0.093CC..EExtended strand (participates in β ladder)trans-113.3148.8176.7-68.6-95.8000112M60 V63 V64 E67 L138 H139 I141 C172 R173 K174M60-Y143 HydrophobicContact SD-CD1 4.45Å; M60-Y143 HydrophobicContact SD-CE1 3.97Å; V63-Y143 WeakPolarHBondContact CG1-OH 3.3Å; V64-Y143 HydrophobicContact CG2-CD1 3.65Å; V64-Y143 HydrophobicContact CG2-CD2 4.31Å; V64-Y143 HydrophobicContact CG2-CE1 3.78Å; V64-Y143 HydrophobicContact CG2-CE2 4.42Å; V64-Y143 HydrophobicContact CG2-CG 3.93Å; E67-Y143 WeakPolarHBondContact OE1-CE2 3.29Å; E67-Y143 PolarHBondContact OE1-OH 2.83Å; L138-Y143 CarbonylContact C-O 3.5Å; L138-Y143 PolarHBondContact O-N 3.01Å; L138-Y143 VanDerWaalsContact O-O 3.14Å; H139-Y143 PolarHBondContact CD2-O 3.34Å; H139-Y143 VanDerWaalsContact CD2-O 3.29Å; I141-Y143 HydrophobicContact CD1-CD2 3.81Å; I141-Y143 HydrophobicContact CD1-CE2 4.3Å; I141-Y143 HydrophobicContact CG1-CD2 3.93Å; I141-Y143 WeakPolarHBondContact O-CD2 3.38Å; Y143-C172 HydrophobicContact CD1-CB 4.45Å; Y143-R173 WeakPolarHBondContact CA-O 3.26Å; Y143-K174 HydrophobicContact CD1-CB 3.88Å; Y143-K174 HydrophobicContact CD1-CG 4.32Å; Y143-K174 HydrophobicContact CE1-CB 3.62Å; Y143-K174 HydrophobicContact CE1-CD 4.43Å; Y143-K174 HydrophobicContact CE1-CG 3.98Å; Y143-K174 HydrophobicContact CE2-CG 4.24Å
144L98.1Very high97.7Very high2 Ų218.2 Ų18.21%0.018%0.084CC..EExtended strand (participates in β ladder)trans-102.2146166-53.5175.1000108.5R146 C172 R173 Y175 Q208 S209 R210 D213L144-R146 HydrophobicContact CB-CG 3.86Å; L144-C172 CarbonylContact O-C 3.43Å; L144-C172 WeakPolarHBondContact O-CA 3.46Å; L144-C172 WeakPolarHBondContact O-CB 3.38Å; L144-C172 PolarHBondContact O-SG 2.85Å; L144-R173 PolarHBondContact N-O 3.26Å; L144-R173 PolarHBondContact O-N 3.48Å; L144-Y175 HydrophobicContact CD2-CD1 3.58Å; L144-Y175 HydrophobicContact CD2-CE1 4.14Å; L144-Y175 HydrophobicContact CD2-CG 3.99Å; L144-Y175 HydrophobicContact CG-CD1 3.78Å; L144-Y175 HydrophobicContact CG-CG 4.1Å; L144-Q208 HydrophobicContact CD1-CB 4.45Å; L144-Q208 WeakPolarHBondContact CD1-O 3.37Å; L144-S209 VanDerWaalsContact CD2-C 3.47Å; L144-R210 HydrophobicContact CD2-CB 4.4Å; L144-R210 HydrophobicContact CD2-CG 3.83Å; L144-R210 VanDerWaalsContact CD2-N 3.34Å; L144-D213 WeakPolarHBondContact CA-OD2 3.27Å; L144-D213 WeakPolarHBondContact CB-OD2 3.48Å
145H97.5Very high97.7Very high0 Ų018.3 Ų18.30%08%0.083CC..  trans-80.4-48.7176.6-165.6-57.9000112.8L138 D147 I148 L167 D168 M171 D213L138-H145 HydrophobicContact CD2-CB 3.6Å; H145-D147 VanDerWaalsContact C-N 3.26Å; H145-D147 PolarHBondContact ND1-N 3.18Å; H145-D147 PolarHBondContact O-N 3.46Å; H145-I148 HydrophobicContact CB-CD1 3.45Å; H145-I148 VanDerWaalsContact CB-CD1 3.45Å; H145-I148 HydrophobicContact CB-CG1 4.07Å; H145-I148 VanDerWaalsContact CD2-CD1 3.41Å; H145-I148 WeakPolarHBondContact CD2-CD1 3.33Å; H145-L167 PolarHBondContact NE2-O 3.49Å; H145-D168 PolarHBondContact CE1-O 2.96Å; H145-D168 PolarHBondContact NE2-O 3.15Å; H145-M171 CarbonylContact O-C 3.57Å; H145-D213 PolarHBondContact N-OD2 3.46Å
146R96.7Very high97.5Very high35 Ų3518.5 Ų18.513%0.1329%0.085CC..SBendtrans66.88.8178.9-49.6-168.7-63.2159.10.9117.1L144 M171 G193 Q208 D213L144-R146 HydrophobicContact CB-CG 3.86Å; R146-M171 PolarHBondContact NE-O 3.38Å; R146-M171 PolarHBondContact NH2-O 3.37Å; R146-G193 WeakPolarHBondContact O-CA 3.25Å; R146-Q208 HydrophobicContact CG-CB 4.47Å; R146-Q208 VanDerWaalsContact CG-OE1 3.25Å; R146-D213 WeakPolarHBondContact CA-OD1 3.39Å; R146-D213 PolarHBondContact N-OD1 2.84Å
147D96.4Very high97.3Very high12 Ų1220.5 Ų20.56%0.0649%0.09CC..  trans-148.948.2176.2-163.837.8000112H145 K149 N152 M171 G193 T194H145-D147 VanDerWaalsContact C-N 3.26Å; H145-D147 PolarHBondContact ND1-N 3.18Å; H145-D147 PolarHBondContact O-N 3.46Å; D147-K149 PolarHBondContact O-N 3.22Å; D147-K149 IonicContact OD1-NZ 3.05Å; D147-K149 WeakPolarHBondContact OD2-CE 3.43Å; D147-K149 IonicContact OD2-NZ 2.78Å; D147-K149 PolarHBondContact OD2-NZ 3.44Å; D147-N152 PolarHBondContact O-ND2 3.23Å; D147-N152 PolarHBondContact OD2-ND2 3.25Å; D147-M171 HydrophobicContact CB-CB 4.24Å; D147-M171 HydrophobicContact CB-CG 4.2Å; D147-G193 WeakPolarHBondContact OD1-CA 3.48Å; D147-T194 WeakPolarHBondContact OD1-CB 3.21Å; D147-T194 PolarHBondContact OD1-N 3.27Å; D147-T194 PolarHBondContact OD1-OG1 3.06Å
148I98.2Very high96.8Very high1 Ų125.5 Ų25.51%0.00512%0.117CC..  trans-73.5123179.5-59.3-51.1000110.8L135 H145 Y153 Y197 D213 W217L135-I148 HydrophobicContact CD1-CD1 4.33Å; L135-I148 HydrophobicContact CD1-CG1 4.15Å; L135-I148 HydrophobicContact CD1-CG2 4.45Å; L135-I148 HydrophobicContact CD2-CD1 3.36Å; L135-I148 HydrophobicContact CD2-CG1 4.01Å; L135-I148 HydrophobicContact CG-CD1 4.44Å; H145-I148 HydrophobicContact CB-CD1 3.45Å; H145-I148 VanDerWaalsContact CB-CD1 3.45Å; H145-I148 HydrophobicContact CB-CG1 4.07Å; H145-I148 VanDerWaalsContact CD2-CD1 3.41Å; H145-I148 WeakPolarHBondContact CD2-CD1 3.33Å; I148-Y153 HydrophobicContact CG2-CE2 3.78Å; I148-Y197 WeakPolarHBondContact O-CB 3.44Å; I148-D213 HydrophobicContact CG1-CB 4.27Å; I148-W217 HydrophobicContact CG2-CB 4.25Å
149K97.3Very high96.4Very high20 Ų2030.5 Ų30.59%0.08715%0.15CC..SBendtrans-164.2161.6-178.463.2-164.6-171.8-158.40110.8D147 Q151 N152 Y153 T194 Y197 T220D147-K149 PolarHBondContact O-N 3.22Å; D147-K149 IonicContact OD1-NZ 3.05Å; D147-K149 WeakPolarHBondContact OD2-CE 3.43Å; D147-K149 IonicContact OD2-NZ 2.78Å; D147-K149 PolarHBondContact OD2-NZ 3.44Å; K149-Q151 HydrophobicContact CG-CB 4.25Å; K149-Q151 PolarHBondContact O-N 3.31Å; K149-Q151 VanDerWaalsContact O-N 3.12Å; K149-N152 HydrophobicContact CG-CB 4.21Å; K149-N152 PolarHBondContact O-N 3Å; K149-Y153 WeakPolarHBondContact O-CD2 3.41Å; K149-T194 HydrophobicContact CD-CG2 4.47Å; K149-T194 VanDerWaalsContact CD-OG1 3.32Å; K149-T194 WeakPolarHBondContact CD-OG1 2.96Å; K149-T194 PolarHBondContact NZ-OG1 2.93Å; K149-Y197 HydrophobicContact CB-CD1 4.49Å; K149-Y197 HydrophobicContact CB-CD2 3.32Å; K149-Y197 HydrophobicContact CB-CE2 3.52Å; K149-Y197 HydrophobicContact CB-CG 3.86Å; K149-Y197 HydrophobicContact CD-CD2 4.36Å; K149-Y197 HydrophobicContact CD-CE2 4.5Å; K149-Y197 HydrophobicContact CG-CD2 4.48Å; K149-T220 WeakPolarHBondContact CA-OG1 3.42Å
150P97.2Very high96.1Very high0 Ų034 Ų340%017%0.169CC..G310 helixtrans-56.9-30.4-178-19.826.2000114.6L100 Q101 N152 Y153 Y197 T220L100-P150 HydrophobicContact CB-CB 4.01Å; L100-P150 WeakPolarHBondContact CB-O 3.41Å; L100-P150 PolarHBondContact N-O 3.23Å; Q101-P150 HydrophobicContact CB-CB 4.07Å; P150-N152 VanDerWaalsContact C-N 3.3Å; P150-N152 PolarHBondContact O-N 3.5Å; P150-Y153 PolarHBondContact O-N 2.97Å; P150-Y197 HydrophobicContact CG-CE1 4.35Å; P150-T220 HydrophobicContact CB-CG2 4.44Å; P150-T220 HydrophobicContact CG-CG2 3.95Å
151Q96.1Very high95.9Very high47 Ų4729.1 Ų29.122%0.2215%0.147CC..G310 helixtrans-66.1-31.9177.7-62.583.3-9.600112.4Q101 K149 Y153 H330Q101-Q151 HydrophobicContact CB-CG 3.89Å; Q101-Q151 HydrophobicContact CG-CG 4.16Å; K149-Q151 HydrophobicContact CG-CB 4.25Å; K149-Q151 PolarHBondContact O-N 3.31Å; K149-Q151 VanDerWaalsContact O-N 3.12Å; Q151-Y153 PolarHBondContact O-N 3.22Å; Q151-H330 PolarHBondContact O-CD2 3.42Å; Q151-H330 PolarHBondContact O-NE2 3.47Å
152N96.7Very high95.8Very high5 Ų532.1 Ų32.13%0.02716%0.157CC..G310 helixtrans-8917.1-177.8-70.6-7.8000112.6D147 K149 P150 L167D147-N152 PolarHBondContact O-ND2 3.23Å; D147-N152 PolarHBondContact OD2-ND2 3.25Å; K149-N152 HydrophobicContact CG-CB 4.21Å; K149-N152 PolarHBondContact O-N 3Å; P150-N152 VanDerWaalsContact C-N 3.3Å; P150-N152 PolarHBondContact O-N 3.5Å; N152-L167 PolarHBondContact O-N 3.43Å
153Y97.8Very high95.8Very high0 Ų036.3 Ų36.30%018%0.176CC..EExtended strand (participates in β ladder)trans-126.9142167.3-66.6-78.1000109.6S99 L100 C131 L135 I148 K149 P150 Q151 V164 F165 V166 T220S99-Y153 CarbonylContact C-O 3.5Å; S99-Y153 VanDerWaalsContact CA-O 3.22Å; S99-Y153 WeakPolarHBondContact CA-O 3.28Å; L100-Y153 HydrophobicContact CD1-CD2 4.21Å; L100-Y153 HydrophobicContact CD1-CG 4.11Å; L100-Y153 PolarHBondContact N-O 3.44Å; C131-Y153 HydrophobicContact CB-CD1 4.13Å; C131-Y153 HydrophobicContact CB-CE1 3.59Å; C131-Y153 HydrophobicContact CB-CE2 4.26Å; L135-Y153 WeakPolarHBondContact CD1-OH 3.37Å; L135-Y153 WeakPolarHBondContact CG-OH 3.31Å; I148-Y153 HydrophobicContact CG2-CE2 3.78Å; K149-Y153 WeakPolarHBondContact O-CD2 3.41Å; P150-Y153 PolarHBondContact O-N 2.97Å; Q151-Y153 PolarHBondContact O-N 3.22Å; Y153-V164 HydrophobicContact CD1-CG1 4.05Å; Y153-F165 VanDerWaalsContact CA-O 3.28Å; Y153-F165 WeakPolarHBondContact CA-O 3.34Å; Y153-V166 HydrophobicContact CD1-CB 4.47Å; Y153-V166 HydrophobicContact CD1-CG2 4.15Å; Y153-V166 HydrophobicContact CE1-CB 4.28Å; Y153-V166 HydrophobicContact CE1-CG1 4.17Å; Y153-V166 HydrophobicContact CE1-CG2 3.7Å; Y153-T220 HydrophobicContact CD2-CG2 4.45Å; Y153-T220 HydrophobicContact CE2-CG2 4.37Å
154A97.6Very high95.8Very high0 Ų035.8 Ų35.80%017%0.174CC..EExtended strand (participates in β ladder)trans-133.2150.6170.900000111.4V96 A98 V164 F165 L167 H330V96-A154 HydrophobicContact CB-CB 3.85Å; V96-A154 HydrophobicContact CG2-CB 3.64Å; A98-A154 VanDerWaalsContact O-CA 3.27Å; A98-A154 WeakPolarHBondContact O-CA 3.5Å; A98-A154 WeakPolarHBondContact O-CB 3.32Å; A154-V164 CarbonylContact O-C 3.56Å; A154-V164 WeakPolarHBondContact O-CA 3.34Å; A154-F165 PolarHBondContact N-O 3.22Å; A154-F165 PolarHBondContact O-N 3.25Å; A154-L167 HydrophobicContact CB-CD1 3.69Å; A154-H330 HydrophobicContact CB-CB 4.3Å
155V97.4Very high95.8Very high7 Ų736.6 Ų36.64%0.04218%0.177CC..EExtended strand (participates in β ladder)trans-77.7163.7172.1-61.90000110.9G97 A98 L100 L103 K163 W314G97-V155 WeakPolarHBondContact CA-O 3.4Å; G97-V155 PolarHBondContact N-O 2.68Å; A98-V155 PolarHBondContact O-N 3.47Å; L100-V155 HydrophobicContact CD2-CG1 4.01Å; L103-V155 HydrophobicContact CD1-CB 4.35Å; L103-V155 HydrophobicContact CD1-CG1 3.55Å; L103-V155 HydrophobicContact CD1-CG2 3.82Å; V155-K163 CarbonylContact C-O 3.56Å; V155-K163 WeakPolarHBondContact CA-O 3.4Å; V155-W314 HydrophobicContact CG1-CD2 4.23Å; V155-W314 HydrophobicContact CG1-CZ2 3.86Å
156G95.8Very high95.8Very high3 Ų336.8 Ų36.83%0.03118%0.178CC..  trans-69.817317100000113.3D160 K163G156-D160 WeakPolarHBondContact CA-O 3.1Å; G156-K163 PolarHBondContact N-O 3.02Å
157R93.3Very high95.6Very high90 Ų9035.6 Ų35.634%0.3417%0.174SC..  trans-106.9170.5173.4-60.2176.766.1-170.58.6108.8E34 L95 P159 D160 F161E34-R157 IonicContact OE1-CZ 3.97Å; E34-R157 IonicContact OE1-NH1 3.49Å; E34-R157 PolarHBondContact OE1-NH1 3.31Å; E34-R157 IonicContact OE1-NH2 3.48Å; E34-R157 PolarHBondContact OE1-NH2 3.44Å; L95-R157 WeakPolarHBondContact O-CD 3.42Å; R157-P159 CarbonylContact O-C 3.52Å; R157-D160 CarbonylContact O-C 3.56Å; R157-D160 VanDerWaalsContact O-C 3.23Å; R157-D160 VanDerWaalsContact O-CA 3.31Å; R157-D160 WeakPolarHBondContact O-CA 3.22Å; R157-D160 PolarHBondContact O-N 3.01Å; R157-F161 PolarHBondContact O-N 2.81Å
158D89.3Confident95.4Very high123 Ų12335.9 Ų35.966%0.65818%0.176SC*.THydrogen-bonded Turntrans-47.3134.7170-172.669.8000111.6F161D158-F161 HydrophobicContact CB-CE1 4.26Å; D158-F161 HydrophobicContact CB-CE2 3.7Å; D158-F161 HydrophobicContact CB-CZ 3.48Å; D158-F161 VanDerWaalsContact CB-CZ 3.48Å; D158-F161 VanDerWaalsContact N-CE1 3.34Å; D158-F161 WeakPolarHBondContact OD1-CE2 3.3Å
159P90Very high95.1Very high106 Ų10636 Ų3669%0.68818%0.176SC*.THydrogen-bonded Turncis-88.30.7-4.436-36000114.3R157 F161R157-P159 CarbonylContact O-C 3.52Å; P159-F161 PolarHBondContact O-N 3.34Å
160D92.4Very high94.6Very high77 Ų7735.9 Ų35.941%0.41218%0.181SC..  trans-94.839.3-171.8-75-24.6000113.7G156 R157 R162 K163G156-D160 WeakPolarHBondContact CA-O 3.1Å; R157-D160 CarbonylContact O-C 3.56Å; R157-D160 VanDerWaalsContact O-C 3.23Å; R157-D160 VanDerWaalsContact O-CA 3.31Å; R157-D160 WeakPolarHBondContact O-CA 3.22Å; R157-D160 PolarHBondContact O-N 3.01Å; D160-R162 PolarHBondContact O-N 3.13Å; D160-K163 HydrophobicContact CB-CD 3.96Å; D160-K163 HydrophobicContact CB-CG 4.18Å; D160-K163 PolarHBondContact O-N 3.38Å; D160-K163 IonicContact OD1-NZ 3.14Å; D160-K163 IonicContact OD2-NZ 2.72Å; D160-K163 PolarHBondContact OD2-NZ 3.43Å
161F92.8Very high94.2Very high52 Ų5238.4 Ų38.423%0.22819%0.193CC..THydrogen-bonded Turntrans-54.5-23.7-177.5-66.3-71.2000114.5R157 D158 P159 K163 W314 E315 P316R157-F161 PolarHBondContact O-N 2.81Å; D158-F161 HydrophobicContact CB-CE1 4.26Å; D158-F161 HydrophobicContact CB-CE2 3.7Å; D158-F161 HydrophobicContact CB-CZ 3.48Å; D158-F161 VanDerWaalsContact CB-CZ 3.48Å; D158-F161 VanDerWaalsContact N-CE1 3.34Å; D158-F161 WeakPolarHBondContact OD1-CE2 3.3Å; P159-F161 PolarHBondContact O-N 3.34Å; F161-K163 VanDerWaalsContact C-N 3.35Å; F161-W314 PolarHBondContact O-NE1 3.13Å; F161-E315 HydrophobicContact CB-CG 4.43Å; F161-P316 HydrophobicContact CE2-CG 4.28Å
162R95.8Very high94.2Very high82 Ų8236.6 Ų36.631%0.30919%0.185SC..THydrogen-bonded Turntrans-78.1-15.9-179.9-63.4-176.7169.5-145.6-19.3114.1H126 L130 D160 D308 M310 L312 E315H126-R162 PolarHBondContact NE2-O 3.31Å; L130-R162 WeakPolarHBondContact CD1-O 3.42Å; D160-R162 PolarHBondContact O-N 3.13Å; R162-D308 PolarHBondContact NH1-O 3.43Å; R162-D308 PolarHBondContact NH2-O 3.3Å; R162-M310 PolarHBondContact NH2-O 2.89Å; R162-L312 HydrophobicContact CB-CD1 4.47Å; R162-L312 HydrophobicContact CG-CD1 4.01Å; R162-E315 WeakPolarHBondContact CD-OE1 3.42Å; R162-E315 WeakPolarHBondContact CG-OE1 3.21Å; R162-E315 IonicContact CZ-OE1 3.2Å; R162-E315 IonicContact CZ-OE2 3.54Å; R162-E315 IonicContact NE-OE1 3.31Å; R162-E315 PolarHBondContact NE-OE1 3.13Å; R162-E315 IonicContact NE-OE2 2.78Å; R162-E315 PolarHBondContact NE-OE2 3.35Å; R162-E315 IonicContact NH2-OE1 3.37Å; R162-E315 IonicContact NH2-OE2 3.72Å; R162-E315 PolarHBondContact NH2-OE2 3.39Å
163K96.9Very high94.1Very high89 Ų8939.6 Ų39.639%0.38720%0.197SC..  trans-70.1150.8176.2-73-174.5-179.6157.30110.2V155 G156 D160 F161 F165V155-K163 CarbonylContact C-O 3.56Å; V155-K163 WeakPolarHBondContact CA-O 3.4Å; G156-K163 PolarHBondContact N-O 3.02Å; D160-K163 HydrophobicContact CB-CD 3.96Å; D160-K163 HydrophobicContact CB-CG 4.18Å; D160-K163 PolarHBondContact O-N 3.38Å; D160-K163 IonicContact OD1-NZ 3.14Å; D160-K163 IonicContact OD2-NZ 2.72Å; D160-K163 PolarHBondContact OD2-NZ 3.43Å; F161-K163 VanDerWaalsContact C-N 3.35Å; K163-F165 HydrophobicContact CB-CE2 3.74Å; K163-F165 HydrophobicContact CB-CZ 3.98Å; K163-F165 HydrophobicContact CD-CZ 4.07Å
164V98Very high94Very high1 Ų142.2 Ų42.21%0.00621%0.208CC..EExtended strand (participates in β ladder)trans-126.3140170176.90000107.6N75 L127 L130 Y153 A154N75-V164 WeakPolarHBondContact CA-O 3.47Å; N75-V164 WeakPolarHBondContact CB-O 3.32Å; N75-V164 PolarHBondContact ND2-O 3.22Å; L127-V164 HydrophobicContact CD2-CG2 3.69Å; L130-V164 HydrophobicContact CB-CB 3.85Å; L130-V164 HydrophobicContact CB-CG2 3.93Å; L130-V164 HydrophobicContact CD1-CB 4.31Å; L130-V164 HydrophobicContact CD1-CG2 3.93Å; Y153-V164 HydrophobicContact CD1-CG1 4.05Å; A154-V164 CarbonylContact O-C 3.56Å; A154-V164 WeakPolarHBondContact O-CA 3.34Å
165F98Very high94Very high19 Ų1942.7 Ų42.78%0.08321%0.21CC..EExtended strand (participates in β ladder)trans-119.2129-177.1-63.4-87000109.6N75 C76 T94 V96 Y153 A154 K163 L167N75-F165 CarbonylContact O-C 3.51Å; N75-F165 WeakPolarHBondContact O-CA 3.34Å; C76-F165 WeakPolarHBondContact O-CD1 3.38Å; T94-F165 HydrophobicContact CG2-CE1 4.02Å; T94-F165 HydrophobicContact CG2-CZ 4.13Å; V96-F165 HydrophobicContact CB-CD2 4.35Å; V96-F165 HydrophobicContact CG1-CB 3.84Å; V96-F165 HydrophobicContact CG1-CD1 4.27Å; V96-F165 HydrophobicContact CG1-CD2 3.66Å; V96-F165 HydrophobicContact CG1-CE2 4.3Å; V96-F165 HydrophobicContact CG1-CG 3.64Å; Y153-F165 VanDerWaalsContact CA-O 3.28Å; Y153-F165 WeakPolarHBondContact CA-O 3.34Å; A154-F165 PolarHBondContact N-O 3.22Å; A154-F165 PolarHBondContact O-N 3.25Å; K163-F165 HydrophobicContact CB-CE2 3.74Å; K163-F165 HydrophobicContact CB-CZ 3.98Å; K163-F165 HydrophobicContact CD-CZ 4.07Å; F165-L167 HydrophobicContact CB-CD2 4.11Å
166V97.5Very high94Very high4 Ų443.7 Ų43.72%0.02422%0.215CC..EExtended strand (participates in β ladder)trans-76.6133.9165.4-164.40000109N75 Y153 F169N75-V166 WeakPolarHBondContact O-CG2 3.45Å; N75-V166 PolarHBondContact O-N 3Å; Y153-V166 HydrophobicContact CD1-CB 4.47Å; Y153-V166 HydrophobicContact CD1-CG2 4.15Å; Y153-V166 HydrophobicContact CE1-CB 4.28Å; Y153-V166 HydrophobicContact CE1-CG1 4.17Å; Y153-V166 HydrophobicContact CE1-CG2 3.7Å; V166-F169 HydrophobicContact CB-CE1 4.41Å; V166-F169 HydrophobicContact CB-CZ 4.31Å; V166-F169 HydrophobicContact CG1-CE1 4.16Å; V166-F169 HydrophobicContact CG1-CZ 4.49Å; V166-F169 WeakPolarHBondContact O-CZ 3.23Å
167L94.4Very high94Very high9 Ų948.3 Ų48.35%0.04723%0.231CC..  trans-125.4164.7-174.6-53.4-179.7000111.5V96 H145 N152 A154 F165 H330 M332V96-L167 HydrophobicContact CG1-CD2 4.28Å; V96-L167 HydrophobicContact CG2-CD1 4.23Å; V96-L167 HydrophobicContact CG2-CD2 4.38Å; H145-L167 PolarHBondContact NE2-O 3.49Å; N152-L167 PolarHBondContact O-N 3.43Å; A154-L167 HydrophobicContact CB-CD1 3.69Å; F165-L167 HydrophobicContact CB-CD2 4.11Å; L167-H330 VanDerWaalsContact CD1-CD2 3.46Å; L167-H330 WeakPolarHBondContact CD1-CD2 3.45Å; L167-H330 WeakPolarHBondContact CD1-NE2 3.42Å; L167-M332 HydrophobicContact CD2-CE 4.32Å
168D90.4Very high94Very high18 Ų1851 Ų5110%0.09625%0.252CS..  trans58.775.5174.3-162.3-6.8000115H145 G170 P334 G335H145-D168 PolarHBondContact CE1-O 2.96Å; H145-D168 PolarHBondContact NE2-O 3.15Å; D168-G170 PolarHBondContact O-N 3.36Å; D168-G170 PolarHBondContact OD1-N 3.43Å; D168-G170 VanDerWaalsContact OD1-N 3.16Å; D168-P334 WeakPolarHBondContact OD2-CA 3.15Å; D168-G335 PolarHBondContact OD2-N 2.78Å
169F92.2Very high94.3Very high4 Ų450.6 Ų50.62%0.01825%0.25CS..G310 helixtrans-82.110174.4-53.9-70.9000113.4E61 V64 L65 L68 L138 V166 M171 C172E61-F169 HydrophobicContact CB-CB 4.45Å; E61-F169 HydrophobicContact CG-CB 4.29Å; E61-F169 HydrophobicContact CG-CD2 4.24Å; V64-F169 HydrophobicContact CB-CB 4.14Å; V64-F169 HydrophobicContact CB-CG 4.28Å; V64-F169 HydrophobicContact CG1-CB 4.07Å; V64-F169 HydrophobicContact CG1-CD1 3.66Å; V64-F169 HydrophobicContact CG1-CD2 4.39Å; V64-F169 HydrophobicContact CG1-CE1 4.2Å; V64-F169 HydrophobicContact CG1-CG 3.76Å; L65-F169 HydrophobicContact CD1-CD2 4.44Å; L65-F169 HydrophobicContact CD1-CE2 3.81Å; L68-F169 HydrophobicContact CD1-CE1 3.9Å; L68-F169 HydrophobicContact CD1-CE2 4.37Å; L68-F169 HydrophobicContact CD1-CZ 3.73Å; L138-F169 HydrophobicContact CD1-CD1 4.22Å; L138-F169 HydrophobicContact CD1-CE1 4.22Å; V166-F169 HydrophobicContact CB-CE1 4.41Å; V166-F169 HydrophobicContact CB-CZ 4.31Å; V166-F169 HydrophobicContact CG1-CE1 4.16Å; V166-F169 HydrophobicContact CG1-CZ 4.49Å; V166-F169 WeakPolarHBondContact O-CZ 3.23Å; F169-M171 PolarHBondContact O-N 2.86Å; F169-C172 HydrophobicContact CB-CB 4.46Å; F169-C172 VanDerWaalsContact O-CB 3.23Å; F169-C172 WeakPolarHBondContact O-CB 3.22Å; F169-C172 PolarHBondContact O-N 3.33Å
170G86.9Confident94.5Very high17 Ų1747.8 Ų47.818%0.17524%0.24CC..G310 helixtrans-62-27.2-177.500000113.3D168D168-G170 PolarHBondContact O-N 3.36Å; D168-G170 PolarHBondContact OD1-N 3.43Å; D168-G170 VanDerWaalsContact OD1-N 3.16Å
171M89.8Confident94.7Very high53 Ų5346.9 Ų46.926%0.26124%0.238SC..G310 helixtrans-92.50.9178.4-57.5-50.3-65.700113.6H145 R146 D147 F169 R192H145-M171 CarbonylContact O-C 3.57Å; R146-M171 PolarHBondContact NE-O 3.38Å; R146-M171 PolarHBondContact NH2-O 3.37Å; D147-M171 HydrophobicContact CB-CB 4.24Å; D147-M171 HydrophobicContact CB-CG 4.2Å; F169-M171 PolarHBondContact O-N 2.86Å; M171-R192 HydrophobicContact CE-CB 3.46Å; M171-R192 VanDerWaalsContact CE-CB 3.46Å; M171-R192 HydrophobicContact CE-CG 3.82Å
172C94.7Very high94.9Very high9 Ų945.9 Ų45.96%0.06123%0.234CC..  trans-61.3154.6-175.4-79.20000113.2M60 V64 Y143 L144 F169M60-C172 HydrophobicContact CG-CB 4.03Å; V64-C172 HydrophobicContact CG2-CB 4.03Å; Y143-C172 HydrophobicContact CD1-CB 4.45Å; L144-C172 CarbonylContact O-C 3.43Å; L144-C172 WeakPolarHBondContact O-CA 3.46Å; L144-C172 WeakPolarHBondContact O-CB 3.38Å; L144-C172 PolarHBondContact O-SG 2.85Å; F169-C172 HydrophobicContact CB-CB 4.46Å; F169-C172 VanDerWaalsContact O-CB 3.23Å; F169-C172 WeakPolarHBondContact O-CB 3.22Å; F169-C172 PolarHBondContact O-N 3.33Å
173R94.3Very high94.9Very high69 Ų6945.3 Ų45.326%0.2623%0.234SC..EExtended strand (participates in β ladder)trans-145.4125.7176.1-178.4-178.1173.5106.4-3.4110.9Y143 L144 Y175 R186 E207Y143-R173 WeakPolarHBondContact CA-O 3.26Å; L144-R173 PolarHBondContact N-O 3.26Å; L144-R173 PolarHBondContact O-N 3.48Å; R173-Y175 PolarHBondContact O-N 3.41Å; R173-R186 VanDerWaalsContact NH1-NH1 3.18Å; R173-E207 IonicContact CZ-OE2 3.56Å; R173-E207 IonicContact NE-OE1 2.66Å; R173-E207 IonicContact NE-OE2 3.63Å; R173-E207 IonicContact NH2-OE2 3.64Å; R173-E207 PolarHBondContact NH2-OE2 3.05Å
174K96.2Very high94.9Very high55 Ų5550.5 Ų50.524%0.23925%0.251CS..EExtended strand (participates in β ladder)trans-66.1115.3174.1-156.8-179.9-174.1175.80110.1G142 Y143 L176 D178 K183G142-K174 CarbonylContact O-C 3.54Å; G142-K174 WeakPolarHBondContact O-CA 3.35Å; G142-K174 WeakPolarHBondContact O-CG 3.49Å; Y143-K174 HydrophobicContact CD1-CB 3.88Å; Y143-K174 HydrophobicContact CD1-CG 4.32Å; Y143-K174 HydrophobicContact CE1-CB 3.62Å; Y143-K174 HydrophobicContact CE1-CD 4.43Å; Y143-K174 HydrophobicContact CE1-CG 3.98Å; Y143-K174 HydrophobicContact CE2-CG 4.24Å; K174-L176 WeakPolarHBondContact CG-O 3.31Å; K174-D178 IonicContact NZ-OD1 3.47Å; K174-D178 PolarHBondContact NZ-OD1 3.25Å; K174-K183 WeakPolarHBondContact O-CD 3.33Å; K174-K183 PolarHBondContact O-NZ 3.08Å
175Y97.6Very high94.9Very high9 Ų953.2 Ų53.24%0.03527%0.269CS..  trans-96.8-20.3178.876.1-86.7000112.8H139 G142 L144 R173 H182 K183 R210H139-Y175 WeakPolarHBondContact O-CE1 3.48Å; H139-Y175 PolarHBondContact O-OH 3.05Å; G142-Y175 VanDerWaalsContact CA-CE1 3.43Å; G142-Y175 WeakPolarHBondContact O-CD1 3.34Å; G142-Y175 PolarHBondContact O-N 2.96Å; L144-Y175 HydrophobicContact CD2-CD1 3.58Å; L144-Y175 HydrophobicContact CD2-CE1 4.14Å; L144-Y175 HydrophobicContact CD2-CG 3.99Å; L144-Y175 HydrophobicContact CG-CD1 3.78Å; L144-Y175 HydrophobicContact CG-CG 4.1Å; R173-Y175 PolarHBondContact O-N 3.41Å; Y175-H182 AromaticContact CD2-CD2 3.66Å; Y175-H182 AromaticContact CD2-CE1 3.89Å; Y175-H182 AromaticContact CD2-NE2 3.38Å; Y175-H182 WeakPolarHBondContact CD2-NE2 3.41Å; Y175-H182 AromaticContact CE2-CD2 3.93Å; Y175-H182 AromaticContact CE2-NE2 3.95Å; Y175-K183 VanDerWaalsContact O-CB 3.32Å; Y175-K183 WeakPolarHBondContact O-CB 3.15Å; Y175-K183 VanDerWaalsContact O-CG 3.31Å; Y175-K183 WeakPolarHBondContact O-CG 3.21Å; Y175-K183 PolarHBondContact O-N 3.3Å; Y175-R210 HydrophobicContact CE1-CG 4.17Å; Y175-R210 HydrophobicContact CE2-CG 4.22Å; Y175-R210 WeakPolarHBondContact OH-CD 3.42Å; Y175-R210 PolarHBondContact OH-NH1 3.4Å; Y175-R210 VanDerWaalsContact OH-NH1 3.14Å
176L97.7Very high94.7Very high29 Ų2957 Ų5715%0.15228%0.282CS..BIsolated β-bridgetrans-89.2150170.6-60.6-176.8000111.5G142 K174 G180 T181 K183G142-L176 PolarHBondContact O-N 2.94Å; K174-L176 WeakPolarHBondContact CG-O 3.31Å; L176-G180 WeakPolarHBondContact CD2-O 3.35Å; L176-T181 CarbonylContact C-O 3.6Å; L176-T181 WeakPolarHBondContact CA-O 3.03Å; L176-K183 WeakPolarHBondContact O-CE 3.34Å
177R96.6Very high94.3Very high99 Ų9962.7 Ų62.737%0.37432%0.322SS..  trans-79.6170.9161.8-65.3-171.5-171.889.54.1109.6D179 G180 T181 H182 K183R177-D179 WeakPolarHBondContact CB-OD1 3.49Å; R177-D179 PolarHBondContact O-N 3.39Å; R177-G180 PolarHBondContact O-N 2.82Å; R177-T181 WeakPolarHBondContact CD-OG1 3.4Å; R177-T181 PolarHBondContact N-O 3.05Å; R177-T181 PolarHBondContact NH1-OG1 3.46Å; R177-H182 PolarHBondContact NH1-O 3.22Å; R177-K183 HydrophobicContact CG-CG 3.87Å
178D92.9Very high94Very high147 Ų14770.1 Ų70.179%0.78636%0.357SS*.THydrogen-bonded Turntrans-67.7-20.7179.6-58.6-28.9000112.7K174 G180K174-D178 IonicContact NZ-OD1 3.47Å; K174-D178 PolarHBondContact NZ-OD1 3.25Å; D178-G180 PolarHBondContact O-N 3.19Å
179D95.4Very high93.9Very high114 Ų11470.5 Ų70.561%0.6136%0.36SS*.THydrogen-bonded Turntrans-81.24.4171.267.45.3000113.7R177 T181R177-D179 WeakPolarHBondContact CB-OD1 3.49Å; R177-D179 PolarHBondContact O-N 3.39Å; D179-T181 VanDerWaalsContact C-N 3.26Å; D179-T181 PolarHBondContact O-N 2.94Å; D179-T181 VanDerWaalsContact OD1-CB 3.26Å; D179-T181 WeakPolarHBondContact OD1-CB 3.21Å; D179-T181 WeakPolarHBondContact OD1-CG2 2.91Å; D179-T181 PolarHBondContact OD1-N 3.03Å; D179-T181 PolarHBondContact OD1-OG1 3.07Å; D179-T181 PolarHBondContact OD2-OG1 2.76Å
180G94.1Very high93.7Very high47 Ų4773 Ų7349%0.48539%0.386SS..SBendtrans78.8-0.5-178.100000114.9L176 R177 D178L176-G180 WeakPolarHBondContact CD2-O 3.35Å; R177-G180 PolarHBondContact O-N 2.82Å; D178-G180 PolarHBondContact O-N 3.19Å
181T95.9Very high93.9Very high58 Ų5873.2 Ų73.236%0.35638%0.382SS..PPolyproline II helixtrans-79.5147.8178.966.40000112.2L176 R177 D179 K183L176-T181 CarbonylContact C-O 3.6Å; L176-T181 WeakPolarHBondContact CA-O 3.03Å; R177-T181 WeakPolarHBondContact CD-OG1 3.4Å; R177-T181 PolarHBondContact N-O 3.05Å; R177-T181 PolarHBondContact NH1-OG1 3.46Å; D179-T181 VanDerWaalsContact C-N 3.26Å; D179-T181 PolarHBondContact O-N 2.94Å; D179-T181 VanDerWaalsContact OD1-CB 3.26Å; D179-T181 WeakPolarHBondContact OD1-CB 3.21Å; D179-T181 WeakPolarHBondContact OD1-CG2 2.91Å; D179-T181 PolarHBondContact OD1-N 3.03Å; D179-T181 PolarHBondContact OD1-OG1 3.07Å; D179-T181 PolarHBondContact OD2-OG1 2.76Å; T181-K183 PolarHBondContact O-N 3.38Å
182H97.2Very high93.7Very high31 Ų3177.8 Ų77.814%0.14440%0.397CS..BIsolated β-bridgetrans-66.9131.3176.6-153.8-62.2000110.8Y175 R177 Y284 Y285Y175-H182 AromaticContact CD2-CD2 3.66Å; Y175-H182 AromaticContact CD2-CE1 3.89Å; Y175-H182 AromaticContact CD2-NE2 3.38Å; Y175-H182 WeakPolarHBondContact CD2-NE2 3.41Å; Y175-H182 AromaticContact CE2-CD2 3.93Å; Y175-H182 AromaticContact CE2-NE2 3.95Å; R177-H182 PolarHBondContact NH1-O 3.22Å; H182-Y284 AromaticContact CE1-CD1 3.94Å; H182-Y284 AromaticContact CE1-CE1 3.28Å; H182-Y284 WeakPolarHBondContact CE1-CE1 3.3Å; H182-Y284 AromaticContact CE1-CZ 3.37Å; H182-Y284 AromaticContact ND1-CE1 3.45Å; H182-Y284 WeakPolarHBondContact ND1-CE1 3.32Å; H182-Y284 AromaticContact ND1-CZ 3.85Å; H182-Y284 PolarHBondContact NE2-O 3.17Å; H182-Y285 HydrophobicContact CB-CD1 3.96Å; H182-Y285 HydrophobicContact CB-CE1 4.36Å; H182-Y285 AromaticContact CG-CD1 3.82Å; H182-Y285 AromaticContact ND1-CD1 3.97Å
183K97.5Very high93.4Very high71 Ų7178.8 Ų78.831%0.30941%0.408SS..PPolyproline II helixtrans-62.2151.4170.9-71.7175.8-178.2168.50109.9K174 Y175 L176 R177 T181 Y284K174-K183 WeakPolarHBondContact O-CD 3.33Å; K174-K183 PolarHBondContact O-NZ 3.08Å; Y175-K183 VanDerWaalsContact O-CB 3.32Å; Y175-K183 WeakPolarHBondContact O-CB 3.15Å; Y175-K183 VanDerWaalsContact O-CG 3.31Å; Y175-K183 WeakPolarHBondContact O-CG 3.21Å; Y175-K183 PolarHBondContact O-N 3.3Å; L176-K183 WeakPolarHBondContact O-CE 3.34Å; R177-K183 HydrophobicContact CG-CG 3.87Å; T181-K183 PolarHBondContact O-N 3.38Å; K183-Y284 WeakPolarHBondContact O-CE1 3.43Å; K183-Y284 PolarHBondContact O-OH 3.03Å
184R96.7Very high93.4Very high197 Ų19777.3 Ų77.374%0.74341%0.407SS*.PPolyproline II helixtrans-72.2144.4172.7-66.7-177.1-178.5-175.40.7109.4
185P96.5Very high93.4Very high59 Ų5975.9 Ų75.938%0.38340%0.402SS..PPolyproline II helixtrans-64.5141.5174.828.6-33.1000109.7E207 Y284 Y285P185-E207 HydrophobicContact CB-CB 3.81Å; P185-E207 HydrophobicContact CB-CG 4.31Å; P185-Y284 HydrophobicContact CB-CD1 4.04Å; P185-Y284 HydrophobicContact CB-CD2 4.27Å; P185-Y284 HydrophobicContact CB-CE1 3.78Å; P185-Y284 HydrophobicContact CB-CE2 4.07Å; P185-Y284 HydrophobicContact CB-CG 4.27Å; P185-Y284 VanDerWaalsContact CD-CE1 3.48Å; P185-Y284 HydrophobicContact CG-CD1 4.05Å; P185-Y284 HydrophobicContact CG-CE1 4.01Å; P185-Y285 WeakPolarHBondContact CD-OH 3.19Å
186R94.8Very high93.3Very high97 Ų9778.5 Ų78.537%0.36641%0.412SS..PPolyproline II helixtrans-74.5146.9170.2-68.6176.2-66.8167.44.8109.8R173 E188 V189 E207R173-R186 VanDerWaalsContact NH1-NH1 3.18Å; R186-E188 VanDerWaalsContact C-N 3.32Å; R186-V189 HydrophobicContact CB-CG1 3.87Å; R186-E207 WeakPolarHBondContact CG-OE2 3.42Å; R186-E207 IonicContact CZ-OE1 2.69Å; R186-E207 IonicContact CZ-OE2 3.82Å; R186-E207 IonicContact NE-OE1 3.36Å; R186-E207 IonicContact NE-OE2 3.5Å; R186-E207 PolarHBondContact NE-OE2 2.79Å; R186-E207 IonicContact NH2-OE1 2.95Å; R186-E207 PolarHBondContact NH2-OE1 3.26Å; R186-E207 IonicContact NH2-OE2 2.77Å; R186-E207 PolarHBondContact NH2-OE2 2.75Å
187S89.6Confident93.3Very high124 Ų12477.7 Ų77.787%0.86741%0.407SS*.SBendtrans-69-31.8172.451.60000112.7
188E86.8Confident93.4Very high165 Ų16573.4 Ų73.477%0.77139%0.393SS*.  trans-126.3128.1178.7-67-179-174.200110.7R186R186-E188 VanDerWaalsContact C-N 3.32Å
189V88.3Confident93.6Very high27 Ų2766.5 Ų66.516%0.16436%0.356CS..  trans-132.8120.7179.9-56.40000110.3R186 F191 G205 E207R186-V189 HydrophobicContact CB-CG1 3.87Å; V189-F191 PolarHBondContact O-N 3.47Å; V189-G205 WeakPolarHBondContact CG2-O 3.14Å; V189-E207 HydrophobicContact CG1-CB 4.03Å; V189-E207 HydrophobicContact CG1-CG 4.46Å; V189-E207 WeakPolarHBondContact CG1-OE1 3.36Å
190G88Confident93.6Very high55 Ų5562.7 Ų62.757%0.56734%0.335SS*.  trans-67.9119.2163.100000108.9
191F90.6Very high93.7Very high22 Ų2260.9 Ų60.910%0.09631%0.314CS..  trans-61.1140.3175.9174.9-86.9000110.3V189 G193 L195 A198 A202 L203 F242 K246V189-F191 PolarHBondContact O-N 3.47Å; F191-G193 VanDerWaalsContact CE1-O 3.22Å; F191-G193 WeakPolarHBondContact CE1-O 3.37Å; F191-L195 HydrophobicContact CD1-CD2 3.91Å; F191-L195 HydrophobicContact CE1-CD2 3.47Å; F191-L195 VanDerWaalsContact CE1-CD2 3.47Å; F191-L195 HydrophobicContact CE1-CG 4.22Å; F191-L195 HydrophobicContact CZ-CD2 3.88Å; F191-A198 HydrophobicContact CE2-CB 3.58Å; F191-A198 HydrophobicContact CZ-CB 3.6Å; F191-A202 HydrophobicContact CD2-CB 4.38Å; F191-A202 HydrophobicContact CE2-CB 4.14Å; F191-L203 HydrophobicContact CE2-CD2 4.26Å; F191-L203 HydrophobicContact CZ-CD2 4.42Å; F191-F242 HydrophobicContact CB-CE1 4.49Å; F191-F242 HydrophobicContact CD1-CE1 4.23Å; F191-F242 AromaticContact CD1-CZ 3.71Å; F191-F242 HydrophobicContact CD1-CZ 3.71Å; F191-F242 HydrophobicContact CE1-CZ 4.3Å; F191-K246 HydrophobicContact CB-CD 4.43Å
192R85.6Confident93.8Very high150 Ų15058.2 Ų58.257%0.56630%0.298SS*.  trans-140.4138.3178.2-72.7-55.3-172.7-138.32.2107.7M171 Q208M171-R192 HydrophobicContact CE-CB 3.46Å; M171-R192 VanDerWaalsContact CE-CB 3.46Å; M171-R192 HydrophobicContact CE-CG 3.82Å; R192-Q208 PolarHBondContact O-NE2 3.33Å
193G89.6Confident93.7Very high29 Ų2956.8 Ų56.830%0.29929%0.291SS..SBendtrans120.4-173.5-17800000112.6R146 D147 F191R146-G193 WeakPolarHBondContact O-CA 3.25Å; D147-G193 WeakPolarHBondContact OD1-CA 3.48Å; F191-G193 VanDerWaalsContact CE1-O 3.22Å; F191-G193 WeakPolarHBondContact CE1-O 3.37Å
194T93.8Very high93.6Very high39 Ų3958.8 Ų58.824%0.23930%0.3CS..  trans-93.4114.2-178.9-54.10000110.4D147 K149 Y196 Y197 A198D147-T194 WeakPolarHBondContact OD1-CB 3.21Å; D147-T194 PolarHBondContact OD1-N 3.27Å; D147-T194 PolarHBondContact OD1-OG1 3.06Å; K149-T194 HydrophobicContact CD-CG2 4.47Å; K149-T194 VanDerWaalsContact CD-OG1 3.32Å; K149-T194 WeakPolarHBondContact CD-OG1 2.96Å; K149-T194 PolarHBondContact NZ-OG1 2.93Å; T194-Y196 PolarHBondContact O-N 3.36Å; T194-Y196 VanDerWaalsContact O-N 3.07Å; T194-Y197 HydrophobicContact CG2-CD2 3.76Å; T194-Y197 HydrophobicContact CG2-CE2 4.16Å; T194-Y197 PolarHBondContact O-N 2.87Å; T194-A198 PolarHBondContact O-N 3.09Å
195L96.1Very high93.4Very high25 Ų2550.7 Ų50.713%0.13128%0.278CS..THydrogen-bonded Turntrans-51.2-38.2-176.4-65.4177.8000113F191 Y197 A198 L203 F242 R245 K246 F249 K253F191-L195 HydrophobicContact CD1-CD2 3.91Å; F191-L195 HydrophobicContact CE1-CD2 3.47Å; F191-L195 VanDerWaalsContact CE1-CD2 3.47Å; F191-L195 HydrophobicContact CE1-CG 4.22Å; F191-L195 HydrophobicContact CZ-CD2 3.88Å; L195-Y197 VanDerWaalsContact C-N 3.28Å; L195-Y197 PolarHBondContact O-N 3.36Å; L195-A198 PolarHBondContact O-N 3.26Å; L195-L203 HydrophobicContact CB-CD2 4.33Å; L195-L203 HydrophobicContact CD2-CD2 3.45Å; L195-L203 VanDerWaalsContact CD2-CD2 3.45Å; L195-F242 HydrophobicContact CD1-CE2 4.05Å; L195-F242 HydrophobicContact CD1-CZ 4.36Å; L195-F242 HydrophobicContact CD2-CE2 4.39Å; L195-F242 HydrophobicContact CD2-CZ 3.92Å; L195-F242 HydrophobicContact CG-CE2 4.34Å; L195-F242 HydrophobicContact CG-CZ 4.35Å; L195-R245 HydrophobicContact CD1-CB 4.06Å; L195-K246 HydrophobicContact CD1-CB 4.49Å; L195-K246 HydrophobicContact CD2-CB 3.88Å; L195-K246 HydrophobicContact CD2-CG 4.03Å; L195-F249 HydrophobicContact CB-CD2 3.78Å; L195-F249 HydrophobicContact CB-CE2 4.02Å; L195-F249 HydrophobicContact CD1-CD2 4.44Å; L195-K253 PolarHBondContact O-NZ 3.2Å
196Y96.5Very high93.3Very high63 Ų6351.7 Ų51.725%0.24728%0.278CS..THydrogen-bonded Turntrans-58.2-37.9-178.2-161.2-104.2000112.7T194 V229 W231 F249 K253T194-Y196 PolarHBondContact O-N 3.36Å; T194-Y196 VanDerWaalsContact O-N 3.07Å; Y196-V229 HydrophobicContact CD1-CG2 4.15Å; Y196-V229 HydrophobicContact CE1-CG2 3.3Å; Y196-V229 HydrophobicContact CE2-CG2 4.11Å; Y196-V229 VanDerWaalsContact OH-CG2 3.26Å; Y196-V229 WeakPolarHBondContact OH-CG2 3.11Å; Y196-W231 AromaticContact CD2-NE1 3.99Å; Y196-W231 AromaticContact CE2-CD1 3.9Å; Y196-W231 WeakPolarHBondContact O-CZ2 3.35Å; Y196-W231 PolarHBondContact O-NE1 3.37Å; Y196-F249 AromaticContact CD2-CE1 3.73Å; Y196-F249 HydrophobicContact CD2-CE1 3.73Å; Y196-F249 AromaticContact CD2-CZ 3.85Å; Y196-F249 HydrophobicContact CD2-CZ 3.85Å; Y196-F249 HydrophobicContact CE2-CE1 4.28Å; Y196-K253 PolarHBondContact O-NZ 3.37Å
197Y97.5Very high93.4Very high13 Ų1347.5 Ų47.55%0.05126%0.262CS..THydrogen-bonded Turntrans-103.7-11-178.9-56-74.8000113.9I148 K149 P150 T194 L195 S216 Y219 Q223I148-Y197 WeakPolarHBondContact O-CB 3.44Å; K149-Y197 HydrophobicContact CB-CD1 4.49Å; K149-Y197 HydrophobicContact CB-CD2 3.32Å; K149-Y197 HydrophobicContact CB-CE2 3.52Å; K149-Y197 HydrophobicContact CB-CG 3.86Å; K149-Y197 HydrophobicContact CD-CD2 4.36Å; K149-Y197 HydrophobicContact CD-CE2 4.5Å; K149-Y197 HydrophobicContact CG-CD2 4.48Å; P150-Y197 HydrophobicContact CG-CE1 4.35Å; T194-Y197 HydrophobicContact CG2-CD2 3.76Å; T194-Y197 HydrophobicContact CG2-CE2 4.16Å; T194-Y197 PolarHBondContact O-N 2.87Å; L195-Y197 VanDerWaalsContact C-N 3.28Å; L195-Y197 PolarHBondContact O-N 3.36Å; Y197-S216 VanDerWaalsContact O-CA 3.31Å; Y197-S216 WeakPolarHBondContact O-CA 3.32Å; Y197-S216 VanDerWaalsContact O-CB 3.24Å; Y197-S216 WeakPolarHBondContact O-CB 3.37Å; Y197-S216 PolarHBondContact O-OG 2.95Å; Y197-Y219 VanDerWaalsContact O-CD2 3.28Å; Y197-Y219 WeakPolarHBondContact O-CD2 3.18Å; Y197-Q223 VanDerWaalsContact CZ-OE1 3.31Å; Y197-Q223 PolarHBondContact OH-OE1 3.06Å
198A97.7Very high93.8Very high9 Ų942.4 Ų42.47%0.07423%0.225CC..SBendtrans-60.9144.9-178.500000113.1F191 T194 L195 L203 K253F191-A198 HydrophobicContact CE2-CB 3.58Å; F191-A198 HydrophobicContact CZ-CB 3.6Å; T194-A198 PolarHBondContact O-N 3.09Å; L195-A198 PolarHBondContact O-N 3.26Å; A198-L203 HydrophobicContact CB-CD1 4.37Å; A198-L203 HydrophobicContact CB-CD2 3.87Å; A198-L203 HydrophobicContact CB-CG 3.86Å; A198-K253 PolarHBondContact O-NZ 3.13Å
199S97.6Very high94.3Very high1 Ų134.6 Ų34.61%0.00719%0.188CC..  trans-60.3155.9172.870.10000111.7T201 A202 L203 D212S199-T201 VanDerWaalsContact C-N 3.27Å; S199-T201 PolarHBondContact O-N 3.04Å; S199-T201 PolarHBondContact OG-OG1 2.98Å; S199-T201 VanDerWaalsContact OG-OG1 3.1Å; S199-A202 PolarHBondContact O-N 3.41Å; S199-A202 WeakPolarHBondContact OG-CB 3.46Å; S199-A202 PolarHBondContact OG-N 2.97Å; S199-L203 VanDerWaalsContact O-CG 3.25Å; S199-L203 WeakPolarHBondContact O-CG 3.29Å; S199-L203 PolarHBondContact O-N 3.39Å; S199-D212 WeakPolarHBondContact CB-OD1 3.38Å; S199-D212 PolarHBondContact OG-OD1 2.98Å
200H96.3Very high94.8Very high35 Ų3534.7 Ų34.716%0.16219%0.185CC..Hα-helixtrans-62-35.2175.361.9-80.6000112.5L203 K204 W215 K253 I254 L257H200-L203 PolarHBondContact O-N 3.26Å; H200-K204 WeakPolarHBondContact O-CG 3.39Å; H200-K204 PolarHBondContact O-N 3.36Å; H200-W215 AromaticContact CE1-CE2 3.85Å; H200-W215 AromaticContact CE1-NE1 3.84Å; H200-K253 HydrophobicContact CB-CB 4.12Å; H200-I254 HydrophobicContact CB-CG1 4Å; H200-L257 VanDerWaalsContact ND1-CD1 3.28Å; H200-L257 WeakPolarHBondContact ND1-CD1 3.45Å
201T95.9Very high95.3Very high8 Ų833.2 Ų33.25%0.04916%0.163CC..Hα-helixtrans-65.7-44.8175.537.60000112S199 L203 K204 G205 E206 D212S199-T201 VanDerWaalsContact C-N 3.27Å; S199-T201 PolarHBondContact O-N 3.04Å; S199-T201 PolarHBondContact OG-OG1 2.98Å; S199-T201 VanDerWaalsContact OG-OG1 3.1Å; T201-L203 VanDerWaalsContact C-N 3.31Å; T201-L203 PolarHBondContact O-N 3.42Å; T201-K204 PolarHBondContact O-N 3.09Å; T201-K204 VanDerWaalsContact O-N 3.09Å; T201-G205 PolarHBondContact O-N 2.77Å; T201-E206 WeakPolarHBondContact O-CB 3.36Å; T201-E206 PolarHBondContact O-N 3.07Å; T201-E206 VanDerWaalsContact O-N 3.11Å; T201-D212 PolarHBondContact OG1-OD1 2.93Å
202A96.4Very high95.7Very high3 Ų332.2 Ų32.23%0.02516%0.158CC..Hα-helixtrans-62.1-40.7174.300000111.7F191 S199 K204 G205 Q208F191-A202 HydrophobicContact CD2-CB 4.38Å; F191-A202 HydrophobicContact CE2-CB 4.14Å; S199-A202 PolarHBondContact O-N 3.41Å; S199-A202 WeakPolarHBondContact OG-CB 3.46Å; S199-A202 PolarHBondContact OG-N 2.97Å; A202-K204 VanDerWaalsContact C-N 3.26Å; A202-K204 PolarHBondContact O-N 3.31Å; A202-G205 PolarHBondContact O-N 2.9Å; A202-G205 VanDerWaalsContact O-N 3.09Å; A202-Q208 HydrophobicContact CB-CG 3.7Å
203L96.5Very high96.3Very high0 Ų025.1 Ų25.10%013%0.132CC..Hα-helixtrans-69.4-19.9175.8-65.6170.8000113F191 L195 A198 S199 H200 T201 G205 K246 F249 A250 K253F191-L203 HydrophobicContact CE2-CD2 4.26Å; F191-L203 HydrophobicContact CZ-CD2 4.42Å; L195-L203 HydrophobicContact CB-CD2 4.33Å; L195-L203 HydrophobicContact CD2-CD2 3.45Å; L195-L203 VanDerWaalsContact CD2-CD2 3.45Å; A198-L203 HydrophobicContact CB-CD1 4.37Å; A198-L203 HydrophobicContact CB-CD2 3.87Å; A198-L203 HydrophobicContact CB-CG 3.86Å; S199-L203 VanDerWaalsContact O-CG 3.25Å; S199-L203 WeakPolarHBondContact O-CG 3.29Å; S199-L203 PolarHBondContact O-N 3.39Å; H200-L203 PolarHBondContact O-N 3.26Å; T201-L203 VanDerWaalsContact C-N 3.31Å; T201-L203 PolarHBondContact O-N 3.42Å; L203-G205 VanDerWaalsContact C-N 3.27Å; L203-K246 HydrophobicContact CB-CG 4.31Å; L203-K246 HydrophobicContact CD2-CG 3.84Å; L203-K246 WeakPolarHBondContact O-CE 3.12Å; L203-K246 WeakPolarHBondContact O-CG 3.37Å; L203-F249 HydrophobicContact CD1-CB 3.77Å; L203-A250 HydrophobicContact CB-CB 3.74Å; L203-A250 HydrophobicContact CD1-CB 4.49Å; L203-K253 HydrophobicContact CD1-CD 3.77Å
204K94.4Very high96.7Very high114 Ų11423.7 Ų23.750%0.49612%0.117SC..THydrogen-bonded Turntrans-82.6-1.1169.6-77.3-168.4-178.2-171.50113.9H200 T201 A202 I254H200-K204 WeakPolarHBondContact O-CG 3.39Å; H200-K204 PolarHBondContact O-N 3.36Å; T201-K204 PolarHBondContact O-N 3.09Å; T201-K204 VanDerWaalsContact O-N 3.09Å; A202-K204 VanDerWaalsContact C-N 3.26Å; A202-K204 PolarHBondContact O-N 3.31Å; K204-I254 HydrophobicContact CD-CD1 4.36Å
205G93.4Very high97Very high27 Ų2722 Ų2228%0.27811%0.107SC..THydrogen-bonded Turntrans80.620.4-177.400000113.8V189 T201 A202 L203V189-G205 WeakPolarHBondContact CG2-O 3.14Å; T201-G205 PolarHBondContact O-N 2.77Å; A202-G205 PolarHBondContact O-N 2.9Å; A202-G205 VanDerWaalsContact O-N 3.09Å; L203-G205 VanDerWaalsContact C-N 3.27Å
206E94.9Very high97.1Very high80 Ų8021.2 Ų21.237%0.37410%0.103SC..PPolyproline II helixtrans-74.3149.7167.3-63.5178.7-141.200110.3T201 Q208 R211T201-E206 WeakPolarHBondContact O-CB 3.36Å; T201-E206 PolarHBondContact O-N 3.07Å; T201-E206 VanDerWaalsContact O-N 3.11Å; E206-Q208 PolarHBondContact O-N 3.35Å; E206-R211 IonicContact OE2-CZ 3.64Å; E206-R211 IonicContact OE2-NH2 2.9Å; E206-R211 PolarHBondContact OE2-NH2 3.05Å
207E96.4Very high97.2Very high9 Ų918.2 Ų18.24%0.0429%0.091CC..PPolyproline II helixtrans-61.4126.6172.2-178.576.5-77.400109.7R173 P185 R186 V189 Y284R173-E207 IonicContact CZ-OE2 3.56Å; R173-E207 IonicContact NE-OE1 2.66Å; R173-E207 IonicContact NE-OE2 3.63Å; R173-E207 IonicContact NH2-OE2 3.64Å; R173-E207 PolarHBondContact NH2-OE2 3.05Å; P185-E207 HydrophobicContact CB-CB 3.81Å; P185-E207 HydrophobicContact CB-CG 4.31Å; R186-E207 WeakPolarHBondContact CG-OE2 3.42Å; R186-E207 IonicContact CZ-OE1 2.69Å; R186-E207 IonicContact CZ-OE2 3.82Å; R186-E207 IonicContact NE-OE1 3.36Å; R186-E207 IonicContact NE-OE2 3.5Å; R186-E207 PolarHBondContact NE-OE2 2.79Å; R186-E207 IonicContact NH2-OE1 2.95Å; R186-E207 PolarHBondContact NH2-OE1 3.26Å; R186-E207 IonicContact NH2-OE2 2.77Å; R186-E207 PolarHBondContact NH2-OE2 2.75Å; V189-E207 HydrophobicContact CG1-CB 4.03Å; V189-E207 HydrophobicContact CG1-CG 4.46Å; V189-E207 WeakPolarHBondContact CG1-OE1 3.36Å; E207-Y284 HydrophobicContact CB-CD2 4.29Å; E207-Y284 HydrophobicContact CB-CE2 3.74Å; E207-Y284 HydrophobicContact CG-CD2 4.42Å; E207-Y284 HydrophobicContact CG-CE2 3.43Å; E207-Y284 VanDerWaalsContact CG-CE2 3.43Å; E207-Y284 VanDerWaalsContact O-CD2 3.29Å; E207-Y284 WeakPolarHBondContact O-CD2 3.49Å; E207-Y284 WeakPolarHBondContact O-CE2 3.49Å
208Q97.4Very high97.2Very high17 Ų1717.6 Ų17.68%0.0799%0.089CC..PPolyproline II helixtrans-66.6144.9179-66.4-176.63600110.9L144 R146 R192 A202 E206 D212L144-Q208 HydrophobicContact CD1-CB 4.45Å; L144-Q208 WeakPolarHBondContact CD1-O 3.37Å; R146-Q208 HydrophobicContact CG-CB 4.47Å; R146-Q208 VanDerWaalsContact CG-OE1 3.25Å; R192-Q208 PolarHBondContact O-NE2 3.33Å; A202-Q208 HydrophobicContact CB-CG 3.7Å; E206-Q208 PolarHBondContact O-N 3.35Å; Q208-D212 WeakPolarHBondContact CA-OD2 3.41Å; Q208-D212 HydrophobicContact CB-CB 4.24Å; Q208-D212 HydrophobicContact CG-CB 4.31Å
209S97.9Very high97.3Very high0 Ų017.1 Ų17.10%09%0.085CC..  trans-139.4-177.4178.963.40000109.6L144 R211 D212 Y284L144-S209 VanDerWaalsContact CD2-C 3.47Å; S209-R211 PolarHBondContact O-N 3.47Å; S209-R211 VanDerWaalsContact O-N 3.15Å; S209-R211 WeakPolarHBondContact OG-CG 3.3Å; S209-D212 PolarHBondContact N-OD2 3.21Å; S209-D212 WeakPolarHBondContact O-CB 3.28Å; S209-D212 PolarHBondContact O-N 2.82Å; S209-D212 PolarHBondContact OG-OD2 2.79Å; S209-Y284 VanDerWaalsContact CB-O 3.22Å; S209-Y284 WeakPolarHBondContact CB-O 3.2Å
210R98.6Very high97.3Very high29 Ų2917.1 Ų17.111%0.1099%0.085CC..Hα-helixtrans-54.7-35.1179.1-65.1172.7-76.8-150.71112.8H139 L144 Y175 D212 D213 V214 Y285 D286 P288H139-R210 HydrophobicContact CB-CG 4.13Å; L144-R210 HydrophobicContact CD2-CB 4.4Å; L144-R210 HydrophobicContact CD2-CG 3.83Å; L144-R210 VanDerWaalsContact CD2-N 3.34Å; Y175-R210 HydrophobicContact CE1-CG 4.17Å; Y175-R210 HydrophobicContact CE2-CG 4.22Å; Y175-R210 WeakPolarHBondContact OH-CD 3.42Å; Y175-R210 PolarHBondContact OH-NH1 3.4Å; Y175-R210 VanDerWaalsContact OH-NH1 3.14Å; R210-D212 PolarHBondContact O-N 2.85Å; R210-D213 PolarHBondContact O-N 3.14Å; R210-V214 WeakPolarHBondContact O-CG2 3.45Å; R210-V214 PolarHBondContact O-N 3.15Å; R210-Y285 PolarHBondContact NH2-O 3.09Å; R210-D286 PolarHBondContact NE-O 2.97Å; R210-D286 VanDerWaalsContact NH2-C 3.31Å; R210-D286 PolarHBondContact NH2-O 2.9Å; R210-P288 HydrophobicContact CB-CG 3.85Å
211R98.1Very high97.4Very high24 Ų2415.4 Ų15.49%0.0918%0.077CC..Hα-helixtrans-60.8-32.617981.8-167.4166.8161.3-0.7112E206 S209 V214 W215 L282E206-R211 IonicContact OE2-CZ 3.64Å; E206-R211 IonicContact OE2-NH2 2.9Å; E206-R211 PolarHBondContact OE2-NH2 3.05Å; S209-R211 PolarHBondContact O-N 3.47Å; S209-R211 VanDerWaalsContact O-N 3.15Å; S209-R211 WeakPolarHBondContact OG-CG 3.3Å; R211-V214 PolarHBondContact O-N 2.87Å; R211-W215 PolarHBondContact O-N 3.04Å; R211-L282 HydrophobicContact CB-CB 3.77Å; R211-L282 HydrophobicContact CB-CD1 3.84Å; R211-L282 HydrophobicContact CB-CG 4.49Å; R211-L282 WeakPolarHBondContact CD-O 3.37Å; R211-L282 PolarHBondContact NH1-O 3.02Å
212D98.6Very high97.5Very high1 Ų115.1 Ų15.11%0.0058%0.075CC..Hα-helixtrans-72.6-41.8-176-58.7-80.3000111S199 T201 Q208 S209 R210 V214 W215 S216S199-D212 WeakPolarHBondContact CB-OD1 3.38Å; S199-D212 PolarHBondContact OG-OD1 2.98Å; T201-D212 PolarHBondContact OG1-OD1 2.93Å; Q208-D212 WeakPolarHBondContact CA-OD2 3.41Å; Q208-D212 HydrophobicContact CB-CB 4.24Å; Q208-D212 HydrophobicContact CG-CB 4.31Å; S209-D212 PolarHBondContact N-OD2 3.21Å; S209-D212 WeakPolarHBondContact O-CB 3.28Å; S209-D212 PolarHBondContact O-N 2.82Å; S209-D212 PolarHBondContact OG-OD2 2.79Å; R210-D212 PolarHBondContact O-N 2.85Å; D212-V214 VanDerWaalsContact C-N 3.31Å; D212-V214 PolarHBondContact O-N 2.88Å; D212-W215 PolarHBondContact O-N 3.26Å; D212-S216 PolarHBondContact O-N 2.6Å; D212-S216 PolarHBondContact O-OG 3.21Å
213D98.7Very high97.5Very high1 Ų115.7 Ų15.71%0.0058%0.078CC..Hα-helixtrans-62.4-39172.2-78.5-25.7000111.5H139 L144 H145 R146 I148 R210 S216 W217H139-D213 IonicContact NE2-OD2 2.73Å; H139-D213 PolarHBondContact NE2-OD2 3.24Å; H139-D213 VanDerWaalsContact NE2-OD2 3.11Å; L144-D213 WeakPolarHBondContact CA-OD2 3.27Å; L144-D213 WeakPolarHBondContact CB-OD2 3.48Å; H145-D213 PolarHBondContact N-OD2 3.46Å; R146-D213 WeakPolarHBondContact CA-OD1 3.39Å; R146-D213 PolarHBondContact N-OD1 2.84Å; I148-D213 HydrophobicContact CG1-CB 4.27Å; R210-D213 PolarHBondContact O-N 3.14Å; D213-S216 PolarHBondContact O-N 3.28Å; D213-W217 WeakPolarHBondContact O-CB 3.38Å; D213-W217 PolarHBondContact O-N 2.86Å
214V98.8Very high97.6Very high0 Ų015.7 Ų15.70%08%0.078CC..Hα-helixtrans-72.8-33.2177.8-172.30000112.2L132 R210 R211 D212 W217 L218 L279 P288 Y290 I293L132-V214 HydrophobicContact CD1-CG1 4.29Å; L132-V214 HydrophobicContact CD1-CG2 4.44Å; R210-V214 WeakPolarHBondContact O-CG2 3.45Å; R210-V214 PolarHBondContact O-N 3.15Å; R211-V214 PolarHBondContact O-N 2.87Å; D212-V214 VanDerWaalsContact C-N 3.31Å; D212-V214 PolarHBondContact O-N 2.88Å; V214-W217 HydrophobicContact CG1-CE3 3.9Å; V214-W217 HydrophobicContact CG1-CZ3 4.42Å; V214-W217 WeakPolarHBondContact O-CB 3.07Å; V214-W217 PolarHBondContact O-N 2.65Å; V214-L218 PolarHBondContact O-N 2.95Å; V214-L279 HydrophobicContact CB-CD2 3.98Å; V214-L279 HydrophobicContact CG1-CD1 4.13Å; V214-L279 HydrophobicContact CG1-CD2 3.54Å; V214-L279 HydrophobicContact CG1-CG 4.44Å; V214-P288 HydrophobicContact CG2-CB 4.14Å; V214-P288 HydrophobicContact CG2-CG 3.88Å; V214-Y290 HydrophobicContact CG2-CE1 4.04Å; V214-I293 HydrophobicContact CG1-CD1 3.86Å
215W98.5Very high97.7Very high3 Ų310.9 Ų10.91%0.0116%0.058CC..Hα-helixtrans-61-46.5168.8-86.7117.8000111.5H200 R211 D212 W217 L218 Y219 L257 L264 Q276 L279 K280H200-W215 AromaticContact CE1-CE2 3.85Å; H200-W215 AromaticContact CE1-NE1 3.84Å; R211-W215 PolarHBondContact O-N 3.04Å; D212-W215 PolarHBondContact O-N 3.26Å; W215-W217 VanDerWaalsContact C-N 3.32Å; W215-W217 PolarHBondContact O-N 2.61Å; W215-L218 HydrophobicContact CE3-CD2 3.98Å; W215-L218 HydrophobicContact CZ3-CD2 3.74Å; W215-L218 WeakPolarHBondContact O-CB 3.39Å; W215-L218 PolarHBondContact O-N 2.73Å; W215-Y219 AromaticContact CE3-CE1 3.71Å; W215-Y219 HydrophobicContact CE3-CE1 3.71Å; W215-Y219 AromaticContact CE3-CZ 3.8Å; W215-Y219 HydrophobicContact CZ3-CE1 4.19Å; W215-Y219 WeakPolarHBondContact O-CD1 3.41Å; W215-Y219 WeakPolarHBondContact O-CD2 3.22Å; W215-Y219 PolarHBondContact O-N 3.13Å; W215-L257 HydrophobicContact CH2-CD1 4.41Å; W215-L257 HydrophobicContact CH2-CD2 3.51Å; W215-L257 HydrophobicContact CZ2-CD2 4.41Å; W215-L257 HydrophobicContact CZ3-CD2 3.8Å; W215-L264 HydrophobicContact CZ3-CD2 4.3Å; W215-Q276 HydrophobicContact CH2-CG 4.06Å; W215-Q276 HydrophobicContact CZ3-CG 4.42Å; W215-L279 HydrophobicContact CD2-CB 4.11Å; W215-L279 HydrophobicContact CD2-CD1 3.9Å; W215-L279 HydrophobicContact CE3-CB 4.47Å; W215-L279 HydrophobicContact CE3-CD1 3.86Å; W215-L279 HydrophobicContact CG-CD1 4.4Å; W215-L279 HydrophobicContact CH2-CB 3.81Å; W215-L279 HydrophobicContact CH2-CD1 4.44Å; W215-L279 HydrophobicContact CZ2-CB 3.38Å; W215-L279 HydrophobicContact CZ2-CD1 4.5Å; W215-L279 HydrophobicContact CZ3-CB 4.34Å; W215-L279 HydrophobicContact CZ3-CD1 4.14Å; W215-K280 HydrophobicContact CH2-CG 4.04Å; W215-K280 HydrophobicContact CZ2-CG 4.02Å
216S98.6Very high97.9Very high8 Ų811.4 Ų11.46%0.0565%0.053CC..Hα-helixtrans-65.4-34.5177.1-65.50000112.8Y197 D212 D213 Y219 T220Y197-S216 VanDerWaalsContact O-CA 3.31Å; Y197-S216 WeakPolarHBondContact O-CA 3.32Å; Y197-S216 VanDerWaalsContact O-CB 3.24Å; Y197-S216 WeakPolarHBondContact O-CB 3.37Å; Y197-S216 PolarHBondContact O-OG 2.95Å; D212-S216 PolarHBondContact O-N 2.6Å; D212-S216 PolarHBondContact O-OG 3.21Å; D213-S216 PolarHBondContact O-N 3.28Å; S216-Y219 PolarHBondContact O-N 2.79Å; S216-T220 WeakPolarHBondContact O-CB 3.48Å; S216-T220 PolarHBondContact O-N 3.4Å; S216-T220 PolarHBondContact O-OG1 2.98Å
217W98.8Very high97.9Very high0 Ų08.1 Ų8.10%04%0.041CC..Hα-helixtrans-60.1-50168.4165.787.1000111.4A128 L132 L135 I148 D213 V214 W215 Y219 T220 I221 I275 I293 L297A128-W217 HydrophobicContact CB-CZ2 3.98Å; A128-W217 VanDerWaalsContact O-CZ2 3.31Å; A128-W217 WeakPolarHBondContact O-CZ2 3.48Å; A128-W217 PolarHBondContact O-NE1 2.74Å; L132-W217 HydrophobicContact CB-CZ2 4.08Å; L132-W217 HydrophobicContact CD1-CD2 4.07Å; L132-W217 HydrophobicContact CD1-CE3 4.34Å; L132-W217 HydrophobicContact CD1-CG 4.38Å; L132-W217 HydrophobicContact CD2-CH2 4.31Å; L132-W217 HydrophobicContact CD2-CZ2 4.18Å; L135-W217 HydrophobicContact CD1-CB 3.74Å; L135-W217 HydrophobicContact CD1-CG 4.3Å; I148-W217 HydrophobicContact CG2-CB 4.25Å; D213-W217 WeakPolarHBondContact O-CB 3.38Å; D213-W217 PolarHBondContact O-N 2.86Å; V214-W217 HydrophobicContact CG1-CE3 3.9Å; V214-W217 HydrophobicContact CG1-CZ3 4.42Å; V214-W217 WeakPolarHBondContact O-CB 3.07Å; V214-W217 PolarHBondContact O-N 2.65Å; W215-W217 VanDerWaalsContact C-N 3.32Å; W215-W217 PolarHBondContact O-N 2.61Å; W217-Y219 VanDerWaalsContact C-N 3.26Å; W217-Y219 PolarHBondContact O-N 2.66Å; W217-T220 WeakPolarHBondContact O-CA 3.15Å; W217-T220 VanDerWaalsContact O-CB 3.31Å; W217-T220 WeakPolarHBondContact O-CB 3.3Å; W217-T220 PolarHBondContact O-N 3.47Å; W217-I221 HydrophobicContact CD2-CG1 4.15Å; W217-I221 HydrophobicContact CG-CG1 4.37Å; W217-I221 HydrophobicContact CZ2-CG1 4Å; W217-I221 WeakPolarHBondContact O-CG1 3.06Å; W217-I221 PolarHBondContact O-N 3.24Å; W217-I275 HydrophobicContact CH2-CD1 4.27Å; W217-I275 HydrophobicContact CZ3-CG2 3.93Å; W217-I293 HydrophobicContact CH2-CG2 3.46Å; W217-I293 VanDerWaalsContact CH2-CG2 3.46Å; W217-I293 HydrophobicContact CZ2-CG2 4.35Å; W217-I293 HydrophobicContact CZ3-CG2 3.81Å; W217-L297 HydrophobicContact CH2-CD1 4.16Å; W217-L297 HydrophobicContact CZ2-CD1 3.99Å
218L98.6Very high97.8Very high0 Ų08.4 Ų8.40%04%0.044CC..Hα-helixtrans-56.4-43.6178.717460.4000111V214 W215 T220 I221 I222 F272 L279V214-L218 PolarHBondContact O-N 2.95Å; W215-L218 HydrophobicContact CE3-CD2 3.98Å; W215-L218 HydrophobicContact CZ3-CD2 3.74Å; W215-L218 WeakPolarHBondContact O-CB 3.39Å; W215-L218 PolarHBondContact O-N 2.73Å; L218-T220 PolarHBondContact O-N 3.24Å; L218-I221 PolarHBondContact O-N 3.31Å; L218-I222 HydrophobicContact CD1-CD1 4.18Å; L218-I222 HydrophobicContact CD1-CG1 4.29Å; L218-I222 HydrophobicContact CG-CD1 4.03Å; L218-I222 VanDerWaalsContact O-CG1 3.29Å; L218-I222 WeakPolarHBondContact O-CG1 3.28Å; L218-I222 PolarHBondContact O-N 3.01Å; L218-F272 HydrophobicContact CD1-CD1 3.68Å; L218-F272 HydrophobicContact CD1-CE1 4.11Å; L218-L279 HydrophobicContact CB-CD1 4.31Å; L218-L279 HydrophobicContact CD2-CD1 3.94Å
219Y98.4Very high97.7Very high0 Ų07.7 Ų7.70%04%0.041CC..Hα-helixtrans-65.9-37.9178.2-56.9-19.4000112.7Y197 W215 S216 W217 I222 Q223 V229 W231 K253 L264Y197-Y219 VanDerWaalsContact O-CD2 3.28Å; Y197-Y219 WeakPolarHBondContact O-CD2 3.18Å; W215-Y219 AromaticContact CE3-CE1 3.71Å; W215-Y219 HydrophobicContact CE3-CE1 3.71Å; W215-Y219 AromaticContact CE3-CZ 3.8Å; W215-Y219 HydrophobicContact CZ3-CE1 4.19Å; W215-Y219 WeakPolarHBondContact O-CD1 3.41Å; W215-Y219 WeakPolarHBondContact O-CD2 3.22Å; W215-Y219 PolarHBondContact O-N 3.13Å; S216-Y219 PolarHBondContact O-N 2.79Å; W217-Y219 VanDerWaalsContact C-N 3.26Å; W217-Y219 PolarHBondContact O-N 2.66Å; Y219-I222 HydrophobicContact CD1-CD1 4.38Å; Y219-I222 PolarHBondContact O-N 3.09Å; Y219-Q223 PolarHBondContact O-N 3.37Å; Y219-V229 WeakPolarHBondContact O-CG1 3.27Å; Y219-W231 AromaticContact CD1-CH2 3.44Å; Y219-W231 HydrophobicContact CD1-CH2 3.44Å; Y219-W231 VanDerWaalsContact CD1-CH2 3.44Å; Y219-W231 HydrophobicContact CD1-CZ2 4.3Å; Y219-W231 HydrophobicContact CD1-CZ3 4.28Å; Y219-W231 AromaticContact CD2-CH2 3.62Å; Y219-W231 HydrophobicContact CD2-CH2 3.62Å; Y219-W231 AromaticContact CD2-CZ2 3.76Å; Y219-W231 HydrophobicContact CD2-CZ2 3.76Å; Y219-W231 AromaticContact CE1-CH2 3.72Å; Y219-W231 HydrophobicContact CE1-CH2 3.72Å; Y219-W231 HydrophobicContact CE1-CZ3 4.21Å; Y219-W231 AromaticContact CE2-CH2 3.92Å; Y219-W231 HydrophobicContact CE2-CH2 3.92Å; Y219-W231 HydrophobicContact CE2-CZ2 4.29Å; Y219-W231 AromaticContact CG-CH2 3.38Å; Y219-W231 HydrophobicContact CG-CH2 3.38Å; Y219-W231 AromaticContact CG-CZ2 3.77Å; Y219-W231 HydrophobicContact CG-CZ2 3.77Å; Y219-W231 AromaticContact CZ-CH2 3.97Å; Y219-K253 HydrophobicContact CE2-CD 4.11Å; Y219-L264 HydrophobicContact CE1-CD1 4.26Å; Y219-L264 HydrophobicContact CE1-CD2 4.19Å
220T98.3Very high97.4Very high0 Ų09.1 Ų9.10%05%0.05CC..Hα-helixtrans-60.4-45.4171.7-61.90000110.7K149 P150 Y153 S216 W217 L218 Q223 V224K149-T220 WeakPolarHBondContact CA-OG1 3.42Å; P150-T220 HydrophobicContact CB-CG2 4.44Å; P150-T220 HydrophobicContact CG-CG2 3.95Å; Y153-T220 HydrophobicContact CD2-CG2 4.45Å; Y153-T220 HydrophobicContact CE2-CG2 4.37Å; S216-T220 WeakPolarHBondContact O-CB 3.48Å; S216-T220 PolarHBondContact O-N 3.4Å; S216-T220 PolarHBondContact O-OG1 2.98Å; W217-T220 WeakPolarHBondContact O-CA 3.15Å; W217-T220 VanDerWaalsContact O-CB 3.31Å; W217-T220 WeakPolarHBondContact O-CB 3.3Å; W217-T220 PolarHBondContact O-N 3.47Å; L218-T220 PolarHBondContact O-N 3.24Å; T220-Q223 PolarHBondContact O-N 2.98Å; T220-V224 PolarHBondContact O-N 3.2Å
221I98.4Very high97.2Very high0 Ų07.8 Ų7.80%05%0.045CC..Hα-helixtrans-66.8-38.7179-59.5-43.6000111.9A128 W217 L218 Q223 V224 T225 F272A128-I221 HydrophobicContact CB-CD1 4.02Å; A128-I221 HydrophobicContact CB-CG1 3.92Å; A128-I221 HydrophobicContact CB-CG2 3.76Å; W217-I221 HydrophobicContact CD2-CG1 4.15Å; W217-I221 HydrophobicContact CG-CG1 4.37Å; W217-I221 HydrophobicContact CZ2-CG1 4Å; W217-I221 WeakPolarHBondContact O-CG1 3.06Å; W217-I221 PolarHBondContact O-N 3.24Å; L218-I221 PolarHBondContact O-N 3.31Å; I221-Q223 VanDerWaalsContact C-N 3.34Å; I221-Q223 PolarHBondContact O-N 3.3Å; I221-V224 HydrophobicContact CD1-CG2 4.31Å; I221-V224 VanDerWaalsContact O-CG2 3.29Å; I221-V224 WeakPolarHBondContact O-CG2 3.29Å; I221-V224 PolarHBondContact O-N 3.21Å; I221-T225 VanDerWaalsContact O-CB 3.3Å; I221-T225 WeakPolarHBondContact O-CB 3.42Å; I221-T225 PolarHBondContact O-N 3.36Å; I221-T225 PolarHBondContact O-OG1 3.02Å; I221-F272 HydrophobicContact CB-CE1 4.47Å; I221-F272 HydrophobicContact CG2-CE1 3.67Å; I221-F272 HydrophobicContact CG2-CZ 3.75Å
222I97.7Very high96.9Very high2 Ų29.6 Ų9.61%0.015%0.053CC..Hα-helixtrans-58.3-47.4172.7-70.3166.8000110.3L218 Y219 T225 M226 V229 L264 L265 L268L218-I222 HydrophobicContact CD1-CD1 4.18Å; L218-I222 HydrophobicContact CD1-CG1 4.29Å; L218-I222 HydrophobicContact CG-CD1 4.03Å; L218-I222 VanDerWaalsContact O-CG1 3.29Å; L218-I222 WeakPolarHBondContact O-CG1 3.28Å; L218-I222 PolarHBondContact O-N 3.01Å; Y219-I222 HydrophobicContact CD1-CD1 4.38Å; Y219-I222 PolarHBondContact O-N 3.09Å; I222-T225 PolarHBondContact O-N 3.19Å; I222-M226 WeakPolarHBondContact O-CB 3.33Å; I222-M226 PolarHBondContact O-N 2.82Å; I222-V229 HydrophobicContact CG2-CG1 4.42Å; I222-L264 HydrophobicContact CD1-CD1 3.84Å; I222-L264 HydrophobicContact CD1-CG 4.09Å; I222-L265 HydrophobicContact CD1-CD2 4.23Å; I222-L268 HydrophobicContact CB-CD1 4.49Å; I222-L268 HydrophobicContact CG1-CD1 3.87Å; I222-L268 HydrophobicContact CG1-CD2 4.02Å; I222-L268 HydrophobicContact CG2-CD1 4.23Å
223Q97.6Very high96.6Very high15 Ų1515.1 Ų15.17%0.078%0.083CC..Hα-helixtrans-62.6-47.3179.5-175.1-171.3-4.400112.6L104 Y197 Y219 T220 I221 T225 G227 V229L104-Q223 HydrophobicContact CD2-CG 4.07Å; Y197-Q223 VanDerWaalsContact CZ-OE1 3.31Å; Y197-Q223 PolarHBondContact OH-OE1 3.06Å; Y219-Q223 PolarHBondContact O-N 3.37Å; T220-Q223 PolarHBondContact O-N 2.98Å; I221-Q223 VanDerWaalsContact C-N 3.34Å; I221-Q223 PolarHBondContact O-N 3.3Å; Q223-T225 PolarHBondContact O-N 3.39Å; Q223-G227 CarbonylContact O-C 3.59Å; Q223-G227 WeakPolarHBondContact O-CA 3.43Å; Q223-G227 PolarHBondContact O-N 2.86Å; Q223-V229 HydrophobicContact CB-CG1 4.05Å
224V97.6Very high96.3Very high0 Ų016.5 Ų16.50%09%0.091CC..Hα-helixtrans-67.6-28.3-178.4-59.70000111.7F119 T220 I221F119-V224 HydrophobicContact CD2-CB 3.6Å; F119-V224 HydrophobicContact CD2-CG1 4.23Å; F119-V224 WeakPolarHBondContact CD2-O 3.27Å; F119-V224 HydrophobicContact CE2-CB 3.89Å; F119-V224 HydrophobicContact CE2-CG1 3.98Å; F119-V224 PolarHBondContact N-O 3.5Å; T220-V224 PolarHBondContact O-N 3.2Å; I221-V224 HydrophobicContact CD1-CG2 4.31Å; I221-V224 VanDerWaalsContact O-CG2 3.29Å; I221-V224 WeakPolarHBondContact O-CG2 3.29Å; I221-V224 PolarHBondContact O-N 3.21Å
225T97.4Very high95.9Very high13 Ų1327.3 Ų27.38%0.0813%0.132CC..Hα-helixtrans-80.4-43.4177.9-500000112.5C118 L121 A124 I221 I222 Q223 L268C118-T225 WeakPolarHBondContact CB-O 3.49Å; L121-T225 HydrophobicContact CD1-CG2 4.18Å; A124-T225 HydrophobicContact CB-CG2 4.29Å; A124-T225 WeakPolarHBondContact CB-OG1 3.35Å; I221-T225 VanDerWaalsContact O-CB 3.3Å; I221-T225 WeakPolarHBondContact O-CB 3.42Å; I221-T225 PolarHBondContact O-N 3.36Å; I221-T225 PolarHBondContact O-OG1 3.02Å; I222-T225 PolarHBondContact O-N 3.19Å; Q223-T225 PolarHBondContact O-N 3.39Å; T225-L268 HydrophobicContact CG2-CD2 4.37Å
226M96.2Very high95.5Very high37 Ų3730.2 Ų30.218%0.18215%0.148CC..Hα-helixtrans-107.12.4-171.3-57.5-53.3-59.200113.2S112 I222 S228 L268S112-M226 WeakPolarHBondContact CB-O 3.32Å; S112-M226 PolarHBondContact OG-O 3.27Å; I222-M226 WeakPolarHBondContact O-CB 3.33Å; I222-M226 PolarHBondContact O-N 2.82Å; M226-S228 PolarHBondContact O-N 3.26Å; M226-L268 HydrophobicContact CG-CD1 3.94Å; M226-L268 HydrophobicContact CG-CG 4.15Å; M226-L268 HydrophobicContact SD-CG 4.34Å
227G95.5Very high95.2Very high12 Ų1233.6 Ų33.612%0.12417%0.168CC..SBendtrans70-11.1-174.900000115.8N117 Q223N117-G227 WeakPolarHBondContact O-CA 3.41Å; Q223-G227 CarbonylContact O-C 3.59Å; Q223-G227 WeakPolarHBondContact O-CA 3.43Å; Q223-G227 PolarHBondContact O-N 2.86Å
228S94Very high94.7Very high15 Ų1544.8 Ų44.811%0.10521%0.21CC..SBendtrans-159.316117859.20000111.5M226 K232M226-S228 PolarHBondContact O-N 3.26Å; S228-K232 VanDerWaalsContact OG-CD 3.31Å; S228-K232 WeakPolarHBondContact OG-CD 3.44Å; S228-K232 PolarHBondContact OG-NZ 3.46Å; S228-K232 VanDerWaalsContact OG-NZ 3.09Å
229V94.8Very high94.4Very high1 Ų152.1 Ų52.11%0.00625%0.25CC..  trans-92.3153.7169.9-63.60000110.6Y196 Y219 I222 Q223 W231 K232Y196-V229 HydrophobicContact CD1-CG2 4.15Å; Y196-V229 HydrophobicContact CE1-CG2 3.3Å; Y196-V229 HydrophobicContact CE2-CG2 4.11Å; Y196-V229 VanDerWaalsContact OH-CG2 3.26Å; Y196-V229 WeakPolarHBondContact OH-CG2 3.11Å; Y219-V229 WeakPolarHBondContact O-CG1 3.27Å; I222-V229 HydrophobicContact CG2-CG1 4.42Å; Q223-V229 HydrophobicContact CB-CG1 4.05Å; V229-W231 HydrophobicContact CB-CD2 4.19Å; V229-W231 HydrophobicContact CB-CH2 4.06Å; V229-W231 HydrophobicContact CB-CZ2 3.68Å; V229-W231 HydrophobicContact CG1-CH2 4.27Å; V229-W231 HydrophobicContact CG1-CZ2 3.86Å; V229-W231 HydrophobicContact CG2-CD2 3.97Å; V229-W231 VanDerWaalsContact CG2-CE2 3.42Å; V229-W231 HydrophobicContact CG2-CG 4.11Å; V229-W231 HydrophobicContact CG2-CZ2 3.8Å; V229-W231 VanDerWaalsContact CG2-NE1 3.3Å; V229-W231 PolarHBondContact O-N 3.46Å; V229-W231 VanDerWaalsContact O-N 3.11Å; V229-K232 WeakPolarHBondContact O-CB 3.29Å; V229-K232 PolarHBondContact O-N 3.31Å
230P93.1Very high94.2Very high30 Ų3053.8 Ų53.820%0.19526%0.258CS..THydrogen-bonded Turntrans-65.1-16.9-174.3-2839.3000115.8M256 L264P230-M256 HydrophobicContact CB-CE 3.33Å; P230-M256 HydrophobicContact CB-SD 3.68Å; P230-M256 VanDerWaalsContact O-CE 3.24Å; P230-M256 WeakPolarHBondContact O-CE 3.48Å; P230-L264 HydrophobicContact CG-CD1 4.38Å
231W94.1Very high94Very high1 Ų156.5 Ų56.50%0.00428%0.277CS..THydrogen-bonded Turntrans-94.417.8174.257.679.1000114Y196 Y219 V229 D233 V234 F249 R252 K253 M256 L264Y196-W231 AromaticContact CD2-NE1 3.99Å; Y196-W231 AromaticContact CE2-CD1 3.9Å; Y196-W231 WeakPolarHBondContact O-CZ2 3.35Å; Y196-W231 PolarHBondContact O-NE1 3.37Å; Y219-W231 AromaticContact CD1-CH2 3.44Å; Y219-W231 HydrophobicContact CD1-CH2 3.44Å; Y219-W231 VanDerWaalsContact CD1-CH2 3.44Å; Y219-W231 HydrophobicContact CD1-CZ2 4.3Å; Y219-W231 HydrophobicContact CD1-CZ3 4.28Å; Y219-W231 AromaticContact CD2-CH2 3.62Å; Y219-W231 HydrophobicContact CD2-CH2 3.62Å; Y219-W231 AromaticContact CD2-CZ2 3.76Å; Y219-W231 HydrophobicContact CD2-CZ2 3.76Å; Y219-W231 AromaticContact CE1-CH2 3.72Å; Y219-W231 HydrophobicContact CE1-CH2 3.72Å; Y219-W231 HydrophobicContact CE1-CZ3 4.21Å; Y219-W231 AromaticContact CE2-CH2 3.92Å; Y219-W231 HydrophobicContact CE2-CH2 3.92Å; Y219-W231 HydrophobicContact CE2-CZ2 4.29Å; Y219-W231 AromaticContact CG-CH2 3.38Å; Y219-W231 HydrophobicContact CG-CH2 3.38Å; Y219-W231 AromaticContact CG-CZ2 3.77Å; Y219-W231 HydrophobicContact CG-CZ2 3.77Å; Y219-W231 AromaticContact CZ-CH2 3.97Å; V229-W231 HydrophobicContact CB-CD2 4.19Å; V229-W231 HydrophobicContact CB-CH2 4.06Å; V229-W231 HydrophobicContact CB-CZ2 3.68Å; V229-W231 HydrophobicContact CG1-CH2 4.27Å; V229-W231 HydrophobicContact CG1-CZ2 3.86Å; V229-W231 HydrophobicContact CG2-CD2 3.97Å; V229-W231 VanDerWaalsContact CG2-CE2 3.42Å; V229-W231 HydrophobicContact CG2-CG 4.11Å; V229-W231 HydrophobicContact CG2-CZ2 3.8Å; V229-W231 VanDerWaalsContact CG2-NE1 3.3Å; V229-W231 PolarHBondContact O-N 3.46Å; V229-W231 VanDerWaalsContact O-N 3.11Å; W231-D233 PolarHBondContact O-N 3.12Å; W231-D233 VanDerWaalsContact O-N 3.09Å; W231-V234 HydrophobicContact CB-CG2 3.82Å; W231-V234 WeakPolarHBondContact O-CB 2.95Å; W231-V234 WeakPolarHBondContact O-CG2 3.31Å; W231-V234 PolarHBondContact O-N 3.26Å; W231-V234 VanDerWaalsContact O-N 3.08Å; W231-F249 AromaticContact CD1-CD1 3.7Å; W231-F249 AromaticContact CD1-CE1 3.71Å; W231-F249 HydrophobicContact CG-CD1 4.34Å; W231-R252 HydrophobicContact CB-CB 4.29Å; W231-R252 HydrophobicContact CB-CG 3.51Å; W231-K253 HydrophobicContact CD2-CG 3.99Å; W231-K253 HydrophobicContact CE3-CG 3.69Å; W231-K253 HydrophobicContact CH2-CG 4.42Å; W231-K253 HydrophobicContact CZ3-CG 3.92Å; W231-M256 HydrophobicContact CE3-SD 3.74Å; W231-M256 HydrophobicContact CZ3-SD 4.34Å; W231-L264 HydrophobicContact CH2-CD1 4.27Å; W231-L264 HydrophobicContact CZ3-CD1 3.63Å
232K92Very high93.8Very high62 Ų6262 Ų6227%0.2730%0.301SS..THydrogen-bonded Turntrans-52.6-28.317467.6-167.4177.3-171.40113.7D114 S228 V229D114-K232 IonicContact OD2-NZ 3.11Å; D114-K232 PolarHBondContact OD2-NZ 3.16Å; S228-K232 VanDerWaalsContact OG-CD 3.31Å; S228-K232 WeakPolarHBondContact OG-CD 3.44Å; S228-K232 PolarHBondContact OG-NZ 3.46Å; S228-K232 VanDerWaalsContact OG-NZ 3.09Å; V229-K232 WeakPolarHBondContact O-CB 3.29Å; V229-K232 PolarHBondContact O-N 3.31Å
233D90.6Very high93.6Very high117 Ų11766.3 Ų66.363%0.62632%0.321SS*.THydrogen-bonded Turntrans-91.98.4-177-53.7-51.8000113.8W231 R235W231-D233 PolarHBondContact O-N 3.12Å; W231-D233 VanDerWaalsContact O-N 3.09Å; D233-R235 PolarHBondContact O-N 2.77Å
234V92.8Very high93.5Very high30 Ų3070.5 Ų70.518%0.18234%0.341CS..  trans-62.3110.7172.3170.80000108.8W231 L236 A248 F249 R252W231-V234 HydrophobicContact CB-CG2 3.82Å; W231-V234 WeakPolarHBondContact O-CB 2.95Å; W231-V234 WeakPolarHBondContact O-CG2 3.31Å; W231-V234 PolarHBondContact O-N 3.26Å; W231-V234 VanDerWaalsContact O-N 3.08Å; V234-L236 HydrophobicContact CG1-CD2 3.8Å; V234-L236 HydrophobicContact CG1-CG 4.44Å; V234-L236 PolarHBondContact O-N 2.73Å; V234-A248 HydrophobicContact CG1-CB 4.04Å; V234-F249 HydrophobicContact CB-CD1 4.25Å; V234-F249 HydrophobicContact CB-CE1 3.92Å; V234-F249 HydrophobicContact CG1-CD1 4.18Å; V234-F249 HydrophobicContact CG1-CE1 4.03Å; V234-F249 HydrophobicContact CG1-CZ 4.38Å; V234-F249 HydrophobicContact CG2-CD1 4.22Å; V234-F249 HydrophobicContact CG2-CE1 4.31Å; V234-R252 HydrophobicContact CG2-CB 3.83Å; V234-R252 HydrophobicContact CG2-CG 3.75Å
235R90.6Very high93.4Very high228 Ų22873.7 Ų73.786%0.8635%0.353SS*.  trans-79.5108.6-178.5-63.8-175.4-179.4-173-0.6109.9D233D233-R235 PolarHBondContact O-N 2.77Å
236L91.2Very high93.3Very high63 Ų6373.9 Ų73.933%0.3335%0.353SS..  trans-95.8128.9170.3-53-179.4000108.9V234 M240 R245 A248 F249V234-L236 HydrophobicContact CG1-CD2 3.8Å; V234-L236 HydrophobicContact CG1-CG 4.44Å; V234-L236 PolarHBondContact O-N 2.73Å; L236-M240 HydrophobicContact CD2-CE 4.13Å; L236-M240 HydrophobicContact CD2-SD 4.42Å; L236-R245 HydrophobicContact CD1-CG 4.4Å; L236-R245 HydrophobicContact CD2-CB 4.11Å; L236-R245 HydrophobicContact CD2-CG 4.1Å; L236-A248 HydrophobicContact CD2-CB 4.37Å; L236-F249 HydrophobicContact CD1-CE2 3.71Å; L236-F249 HydrophobicContact CD1-CZ 3.94Å; L236-F249 HydrophobicContact CD2-CE2 4.23Å; L236-F249 HydrophobicContact CG-CE2 4.44Å
237T90.6Very high93.2Very high80 Ų8075.7 Ų75.749%0.49136%0.361SS..  trans-95.5153.2172.3740000110N239 M240T237-N239 PolarHBondContact O-N 2.96Å; T237-N239 VanDerWaalsContact O-N 3.13Å; T237-M240 PolarHBondContact N-SD 2.87Å; T237-M240 VanDerWaalsContact N-SD 3.37Å; T237-M240 PolarHBondContact O-N 2.68Å; T237-M240 VanDerWaalsContact O-N 3.09Å; T237-M240 WeakPolarHBondContact OG1-CG 3.28Å
238R89.6Confident93.3Very high234 Ų23476.5 Ų76.588%0.88337%0.366SS*.THydrogen-bonded Turntrans-56.6-30.1179.3-71.3-176.6175.2175.6-2.4112.8R245R238-R245 PolarHBondContact O-NH2 3.42Å
239N92.9Very high93.5Very high154 Ų15476.4 Ų76.482%0.82436%0.364SS*.THydrogen-bonded Turntrans-83.9-11.1-177.7-63-13.3000114T237 S241T237-N239 PolarHBondContact O-N 2.96Å; T237-N239 VanDerWaalsContact O-N 3.13Å; N239-S241 PolarHBondContact O-N 2.98Å
240M93.1Very high93.5Very high36 Ų3676.3 Ų76.318%0.17736%0.363CS..  trans-66.5125.9175.9-75.4169.775.500110L236 T237 E244 R245 A248L236-M240 HydrophobicContact CD2-CE 4.13Å; L236-M240 HydrophobicContact CD2-SD 4.42Å; T237-M240 PolarHBondContact N-SD 2.87Å; T237-M240 VanDerWaalsContact N-SD 3.37Å; T237-M240 PolarHBondContact O-N 2.68Å; T237-M240 VanDerWaalsContact O-N 3.09Å; T237-M240 WeakPolarHBondContact OG1-CG 3.28Å; M240-E244 WeakPolarHBondContact CA-OE2 3.47Å; M240-E244 HydrophobicContact CB-CB 4.1Å; M240-E244 HydrophobicContact CE-CB 3.9Å; M240-E244 WeakPolarHBondContact CE-O 3.47Å; M240-E244 HydrophobicContact CG-CB 4.27Å; M240-R245 HydrophobicContact CB-CG 3.77Å; M240-R245 HydrophobicContact CE-CG 4.34Å; M240-R245 PolarHBondContact O-NE 3.09Å; M240-A248 HydrophobicContact CE-CB 4.01Å
241S95Very high93.7Very high57 Ų5778.4 Ų78.440%0.39937%0.373SS..  trans-57.8160.9167.967.40000111.2N239 E243 E244 R245N239-S241 PolarHBondContact O-N 2.98Å; S241-E243 PolarHBondContact O-N 2.86Å; S241-E244 VanDerWaalsContact CB-OE2 3.3Å; S241-E244 WeakPolarHBondContact CB-OE2 3.49Å; S241-E244 PolarHBondContact N-OE2 3.06Å; S241-E244 PolarHBondContact O-N 2.77Å; S241-E244 VanDerWaalsContact OG-CG 3.28Å; S241-E244 WeakPolarHBondContact OG-CG 3.05Å; S241-E244 PolarHBondContact OG-N 2.71Å; S241-E244 PolarHBondContact OG-OE2 2.99Å; S241-R245 WeakPolarHBondContact O-CG 3.43Å; S241-R245 PolarHBondContact O-N 3.4Å
242F93Very high93.8Very high115 Ų11581.1 Ų81.150%0.50438%0.383SS..Hα-helixtrans-55.2-40.2176.5-177.6-93.8000112.3F191 L195 R245 K246F191-F242 HydrophobicContact CB-CE1 4.49Å; F191-F242 HydrophobicContact CD1-CE1 4.23Å; F191-F242 AromaticContact CD1-CZ 3.71Å; F191-F242 HydrophobicContact CD1-CZ 3.71Å; F191-F242 HydrophobicContact CE1-CZ 4.3Å; L195-F242 HydrophobicContact CD1-CE2 4.05Å; L195-F242 HydrophobicContact CD1-CZ 4.36Å; L195-F242 HydrophobicContact CD2-CE2 4.39Å; L195-F242 HydrophobicContact CD2-CZ 3.92Å; L195-F242 HydrophobicContact CG-CE2 4.34Å; L195-F242 HydrophobicContact CG-CZ 4.35Å; F242-R245 PolarHBondContact O-N 2.92Å; F242-K246 HydrophobicContact CE1-CD 4.27Å; F242-K246 VanDerWaalsContact O-CB 3.32Å; F242-K246 WeakPolarHBondContact O-CB 3.35Å; F242-K246 PolarHBondContact O-N 2.95Å
243E93.6Very high94Very high93 Ų9378.2 Ų78.244%0.43537%0.37SS..Hα-helixtrans-69.3-39.5-179.4-166.159.2-152.600112S241 R245 K246 Q247S241-E243 PolarHBondContact O-N 2.86Å; E243-R245 PolarHBondContact O-N 3Å; E243-K246 PolarHBondContact O-N 3.46Å; E243-K246 WeakPolarHBondContact OE1-CE 3.46Å; E243-K246 IonicContact OE1-NZ 3.82Å; E243-K246 PolarHBondContact OE1-NZ 3.33Å; E243-K246 IonicContact OE2-NZ 2.64Å; E243-K246 PolarHBondContact OE2-NZ 2.91Å; E243-Q247 WeakPolarHBondContact O-CB 3.49Å; E243-Q247 PolarHBondContact O-N 3.12Å
244E95.6Very high94.2Very high102 Ų10274.2 Ų74.248%0.47735%0.348SS..Hα-helixtrans-63.8-40.8174.4-72.3165.3125.400111.9M240 S241 Q247 A248M240-E244 WeakPolarHBondContact CA-OE2 3.47Å; M240-E244 HydrophobicContact CB-CB 4.1Å; M240-E244 HydrophobicContact CE-CB 3.9Å; M240-E244 WeakPolarHBondContact CE-O 3.47Å; M240-E244 HydrophobicContact CG-CB 4.27Å; S241-E244 VanDerWaalsContact CB-OE2 3.3Å; S241-E244 WeakPolarHBondContact CB-OE2 3.49Å; S241-E244 PolarHBondContact N-OE2 3.06Å; S241-E244 PolarHBondContact O-N 2.77Å; S241-E244 VanDerWaalsContact OG-CG 3.28Å; S241-E244 WeakPolarHBondContact OG-CG 3.05Å; S241-E244 PolarHBondContact OG-N 2.71Å; S241-E244 PolarHBondContact OG-OE2 2.99Å; E244-Q247 PolarHBondContact O-N 3.02Å; E244-A248 WeakPolarHBondContact O-CB 3.41Å; E244-A248 PolarHBondContact O-N 2.91Å
245R95.7Very high94.3Very high67 Ų6780.4 Ų80.425%0.25337%0.369SS..Hα-helixtrans-64.1-44.4175.8-62.7178.9-169.6-159.91.9111.1L195 L236 R238 M240 S241 F242 E243 A248 F249L195-R245 HydrophobicContact CD1-CB 4.06Å; L236-R245 HydrophobicContact CD1-CG 4.4Å; L236-R245 HydrophobicContact CD2-CB 4.11Å; L236-R245 HydrophobicContact CD2-CG 4.1Å; R238-R245 PolarHBondContact O-NH2 3.42Å; M240-R245 HydrophobicContact CB-CG 3.77Å; M240-R245 HydrophobicContact CE-CG 4.34Å; M240-R245 PolarHBondContact O-NE 3.09Å; S241-R245 WeakPolarHBondContact O-CG 3.43Å; S241-R245 PolarHBondContact O-N 3.4Å; F242-R245 PolarHBondContact O-N 2.92Å; E243-R245 PolarHBondContact O-N 3Å; R245-A248 PolarHBondContact O-N 2.76Å; R245-F249 VanDerWaalsContact O-CD2 3.3Å; R245-F249 WeakPolarHBondContact O-CD2 3.39Å; R245-F249 PolarHBondContact O-N 3.02Å
246K95.2Very high94.5Very high18 Ų1869.7 Ų69.78%0.07833%0.328CS..Hα-helixtrans-59.6-47.1176.5176.8-176.3141-148.90111.1F191 L195 L203 F242 E243 F249 A250F191-K246 HydrophobicContact CB-CD 4.43Å; L195-K246 HydrophobicContact CD1-CB 4.49Å; L195-K246 HydrophobicContact CD2-CB 3.88Å; L195-K246 HydrophobicContact CD2-CG 4.03Å; L203-K246 HydrophobicContact CB-CG 4.31Å; L203-K246 HydrophobicContact CD2-CG 3.84Å; L203-K246 WeakPolarHBondContact O-CE 3.12Å; L203-K246 WeakPolarHBondContact O-CG 3.37Å; F242-K246 HydrophobicContact CE1-CD 4.27Å; F242-K246 VanDerWaalsContact O-CB 3.32Å; F242-K246 WeakPolarHBondContact O-CB 3.35Å; F242-K246 PolarHBondContact O-N 2.95Å; E243-K246 PolarHBondContact O-N 3.46Å; E243-K246 WeakPolarHBondContact OE1-CE 3.46Å; E243-K246 IonicContact OE1-NZ 3.82Å; E243-K246 PolarHBondContact OE1-NZ 3.33Å; E243-K246 IonicContact OE2-NZ 2.64Å; E243-K246 PolarHBondContact OE2-NZ 2.91Å; K246-F249 PolarHBondContact O-N 3.3Å; K246-A250 PolarHBondContact O-N 3.34Å
247Q95.3Very high94.6Very high75 Ų7567.2 Ų67.235%0.3532%0.315SS..Hα-helixtrans-63.3-42.5177.7-170.461.544.500112.1E243 E244 F249 A250 D251E243-Q247 WeakPolarHBondContact O-CB 3.49Å; E243-Q247 PolarHBondContact O-N 3.12Å; E244-Q247 PolarHBondContact O-N 3.02Å; Q247-F249 VanDerWaalsContact C-N 3.33Å; Q247-F249 PolarHBondContact O-N 3.31Å; Q247-A250 WeakPolarHBondContact O-CB 3.24Å; Q247-A250 PolarHBondContact O-N 2.74Å; Q247-A250 VanDerWaalsContact O-N 3.08Å; Q247-D251 VanDerWaalsContact NE2-CG 3.32Å; Q247-D251 PolarHBondContact NE2-OD1 2.81Å; Q247-D251 PolarHBondContact NE2-OD2 3.06Å; Q247-D251 PolarHBondContact O-N 2.78Å
248A96.7Very high94.6Very high29 Ų2969.5 Ų69.524%0.2432%0.324CS..Hα-helixtrans-58.7-42.4178.400000112.7V234 L236 M240 E244 R245 R252V234-A248 HydrophobicContact CG1-CB 4.04Å; L236-A248 HydrophobicContact CD2-CB 4.37Å; M240-A248 HydrophobicContact CE-CB 4.01Å; E244-A248 WeakPolarHBondContact O-CB 3.41Å; E244-A248 PolarHBondContact O-N 2.91Å; R245-A248 PolarHBondContact O-N 2.76Å; A248-R252 PolarHBondContact O-N 3.48Å
249F97.2Very high94.6Very high12 Ų1260 Ų605%0.05329%0.294CS..Hα-helixtrans-68.8-40.3173-76.1-63.6000112.5L195 Y196 L203 W231 V234 L236 R245 K246 Q247 R252 K253L195-F249 HydrophobicContact CB-CD2 3.78Å; L195-F249 HydrophobicContact CB-CE2 4.02Å; L195-F249 HydrophobicContact CD1-CD2 4.44Å; Y196-F249 AromaticContact CD2-CE1 3.73Å; Y196-F249 HydrophobicContact CD2-CE1 3.73Å; Y196-F249 AromaticContact CD2-CZ 3.85Å; Y196-F249 HydrophobicContact CD2-CZ 3.85Å; Y196-F249 HydrophobicContact CE2-CE1 4.28Å; L203-F249 HydrophobicContact CD1-CB 3.77Å; W231-F249 AromaticContact CD1-CD1 3.7Å; W231-F249 AromaticContact CD1-CE1 3.71Å; W231-F249 HydrophobicContact CG-CD1 4.34Å; V234-F249 HydrophobicContact CB-CD1 4.25Å; V234-F249 HydrophobicContact CB-CE1 3.92Å; V234-F249 HydrophobicContact CG1-CD1 4.18Å; V234-F249 HydrophobicContact CG1-CE1 4.03Å; V234-F249 HydrophobicContact CG1-CZ 4.38Å; V234-F249 HydrophobicContact CG2-CD1 4.22Å; V234-F249 HydrophobicContact CG2-CE1 4.31Å; L236-F249 HydrophobicContact CD1-CE2 3.71Å; L236-F249 HydrophobicContact CD1-CZ 3.94Å; L236-F249 HydrophobicContact CD2-CE2 4.23Å; L236-F249 HydrophobicContact CG-CE2 4.44Å; R245-F249 VanDerWaalsContact O-CD2 3.3Å; R245-F249 WeakPolarHBondContact O-CD2 3.39Å; R245-F249 PolarHBondContact O-N 3.02Å; K246-F249 PolarHBondContact O-N 3.3Å; Q247-F249 VanDerWaalsContact C-N 3.33Å; Q247-F249 PolarHBondContact O-N 3.31Å; F249-R252 PolarHBondContact O-N 2.87Å; F249-K253 WeakPolarHBondContact O-CB 3.48Å; F249-K253 WeakPolarHBondContact O-CG 3.43Å; F249-K253 PolarHBondContact O-N 3.39Å
250A96.4Very high94.3Very high0 Ų057.8 Ų57.80%029%0.291CS..Hα-helixtrans-57.3-52.817800000110.4L203 K246 Q247 R252 K253 I254L203-A250 HydrophobicContact CB-CB 3.74Å; L203-A250 HydrophobicContact CD1-CB 4.49Å; K246-A250 PolarHBondContact O-N 3.34Å; Q247-A250 WeakPolarHBondContact O-CB 3.24Å; Q247-A250 PolarHBondContact O-N 2.74Å; Q247-A250 VanDerWaalsContact O-N 3.08Å; A250-R252 PolarHBondContact O-N 2.96Å; A250-K253 PolarHBondContact O-N 2.94Å; A250-I254 HydrophobicContact CB-CD1 4.39Å; A250-I254 WeakPolarHBondContact O-CD1 3.49Å; A250-I254 WeakPolarHBondContact O-CG1 3.39Å; A250-I254 PolarHBondContact O-N 3.1Å
251D96Very high94Very high73 Ų7361.6 Ų61.639%0.3931%0.312SS..Hα-helixtrans-61.4-42.4-177.6-70-22.5000112Q247 R255Q247-D251 VanDerWaalsContact NE2-CG 3.32Å; Q247-D251 PolarHBondContact NE2-OD1 2.81Å; Q247-D251 PolarHBondContact NE2-OD2 3.06Å; Q247-D251 PolarHBondContact O-N 2.78Å; D251-R255 VanDerWaalsContact O-CB 3.31Å; D251-R255 WeakPolarHBondContact O-CB 3.41Å; D251-R255 PolarHBondContact O-N 3.42Å
252R96.2Very high93.7Very high58 Ų5861.3 Ų61.322%0.21931%0.306CS..Hα-helixtrans-63.8-44177.5-173.562.2167.9139.34.8111.4W231 V234 A248 F249 A250 R255 M256 E263W231-R252 HydrophobicContact CB-CB 4.29Å; W231-R252 HydrophobicContact CB-CG 3.51Å; V234-R252 HydrophobicContact CG2-CB 3.83Å; V234-R252 HydrophobicContact CG2-CG 3.75Å; A248-R252 PolarHBondContact O-N 3.48Å; F249-R252 PolarHBondContact O-N 2.87Å; A250-R252 PolarHBondContact O-N 2.96Å; R252-R255 PolarHBondContact O-N 3.3Å; R252-M256 HydrophobicContact CG-CE 4Å; R252-M256 HydrophobicContact CG-SD 4.4Å; R252-M256 VanDerWaalsContact NE-CE 3.28Å; R252-M256 WeakPolarHBondContact O-CG 3.38Å; R252-M256 PolarHBondContact O-N 3.01Å; R252-M256 VanDerWaalsContact O-N 3.14Å; R252-E263 IonicContact CZ-OE1 3.95Å; R252-E263 VanDerWaalsContact CZ-OE1 3.31Å; R252-E263 IonicContact NH1-OE1 3.84Å; R252-E263 PolarHBondContact NH1-OE1 3.39Å; R252-E263 IonicContact NH1-OE2 3.11Å; R252-E263 IonicContact NH2-OE1 3.16Å; R252-E263 PolarHBondContact NH2-OE1 3.32Å
253K96.7Very high93.6Very high2 Ų257.8 Ų57.81%0.00929%0.291CS..Hα-helixtrans-65.7-44.5179.2-74.3170176.2174.40112L195 Y196 A198 H200 L203 Y219 W231 F249 A250 R255 M256 L257L195-K253 PolarHBondContact O-NZ 3.2Å; Y196-K253 PolarHBondContact O-NZ 3.37Å; A198-K253 PolarHBondContact O-NZ 3.13Å; H200-K253 HydrophobicContact CB-CB 4.12Å; L203-K253 HydrophobicContact CD1-CD 3.77Å; Y219-K253 HydrophobicContact CE2-CD 4.11Å; W231-K253 HydrophobicContact CD2-CG 3.99Å; W231-K253 HydrophobicContact CE3-CG 3.69Å; W231-K253 HydrophobicContact CH2-CG 4.42Å; W231-K253 HydrophobicContact CZ3-CG 3.92Å; F249-K253 WeakPolarHBondContact O-CB 3.48Å; F249-K253 WeakPolarHBondContact O-CG 3.43Å; F249-K253 PolarHBondContact O-N 3.39Å; A250-K253 PolarHBondContact O-N 2.94Å; K253-R255 PolarHBondContact O-N 3.23Å; K253-M256 PolarHBondContact O-N 2.87Å; K253-L257 WeakPolarHBondContact O-CG 3.3Å; K253-L257 PolarHBondContact O-N 3.01Å
254I95.5Very high93.6Very high32 Ų3253.5 Ų53.516%0.16427%0.271CS..Hα-helixtrans-62.3-44.4177.3-64.3153.9000110.7H200 K204 A250 M256 L257 N258H200-I254 HydrophobicContact CB-CG1 4Å; K204-I254 HydrophobicContact CD-CD1 4.36Å; A250-I254 HydrophobicContact CB-CD1 4.39Å; A250-I254 WeakPolarHBondContact O-CD1 3.49Å; A250-I254 WeakPolarHBondContact O-CG1 3.39Å; A250-I254 PolarHBondContact O-N 3.1Å; I254-M256 VanDerWaalsContact C-N 3.3Å; I254-M256 PolarHBondContact O-N 3.21Å; I254-L257 PolarHBondContact O-N 3.39Å; I254-N258 PolarHBondContact O-N 3.07Å; I254-N258 VanDerWaalsContact O-N 3.08Å; I254-N258 PolarHBondContact O-ND2 3.06Å
255R94.9Very high93.6Very high161 Ų16149.3 Ų49.361%0.60825%0.252SS*.Hα-helixtrans-58.2-43.4177.8-171.7-173.2-56.6175.11.6111.7D251 R252 K253 N258 S259D251-R255 VanDerWaalsContact O-CB 3.31Å; D251-R255 WeakPolarHBondContact O-CB 3.41Å; D251-R255 PolarHBondContact O-N 3.42Å; R252-R255 PolarHBondContact O-N 3.3Å; K253-R255 PolarHBondContact O-N 3.23Å; R255-N258 PolarHBondContact O-N 3.06Å; R255-S259 PolarHBondContact O-N 2.79Å; R255-S259 VanDerWaalsContact O-N 3.1Å
256M94Very high93.4Very high3 Ų354.2 Ų54.22%0.01527%0.27CS..Hα-helixtrans-65.5-41.3177.7-73.3170.6170.700112.8P230 W231 R252 K253 I254 N258 S259 E263 L264P230-M256 HydrophobicContact CB-CE 3.33Å; P230-M256 HydrophobicContact CB-SD 3.68Å; P230-M256 VanDerWaalsContact O-CE 3.24Å; P230-M256 WeakPolarHBondContact O-CE 3.48Å; W231-M256 HydrophobicContact CE3-SD 3.74Å; W231-M256 HydrophobicContact CZ3-SD 4.34Å; R252-M256 HydrophobicContact CG-CE 4Å; R252-M256 HydrophobicContact CG-SD 4.4Å; R252-M256 VanDerWaalsContact NE-CE 3.28Å; R252-M256 WeakPolarHBondContact O-CG 3.38Å; R252-M256 PolarHBondContact O-N 3.01Å; R252-M256 VanDerWaalsContact O-N 3.14Å; K253-M256 PolarHBondContact O-N 2.87Å; I254-M256 VanDerWaalsContact C-N 3.3Å; I254-M256 PolarHBondContact O-N 3.21Å; M256-N258 PolarHBondContact O-N 3.07Å; M256-S259 WeakPolarHBondContact O-CB 3.48Å; M256-S259 PolarHBondContact O-N 2.68Å; M256-E263 HydrophobicContact CE-CG 4.42Å; M256-E263 WeakPolarHBondContact CE-OE1 3.45Å; M256-E263 HydrophobicContact CG-CG 4.34Å; M256-L264 HydrophobicContact CB-CB 4.39Å
257L93.1Very high93.3Very high11 Ų1156.2 Ų56.26%0.05830%0.296CS..Hα-helixtrans-66.3-25.9178.7-72169.9000113.1H200 W215 K253 I254 L264 Q276H200-L257 VanDerWaalsContact ND1-CD1 3.28Å; H200-L257 WeakPolarHBondContact ND1-CD1 3.45Å; W215-L257 HydrophobicContact CH2-CD1 4.41Å; W215-L257 HydrophobicContact CH2-CD2 3.51Å; W215-L257 HydrophobicContact CZ2-CD2 4.41Å; W215-L257 HydrophobicContact CZ3-CD2 3.8Å; K253-L257 WeakPolarHBondContact O-CG 3.3Å; K253-L257 PolarHBondContact O-N 3.01Å; I254-L257 PolarHBondContact O-N 3.39Å; L257-L264 HydrophobicContact CD2-CD2 3.57Å; L257-L264 HydrophobicContact CG-CD2 4.42Å; L257-Q276 HydrophobicContact CD2-CG 4.26Å
258N91.2Very high93.3Very high127 Ų12753.7 Ų53.768%0.67929%0.285SS*.THydrogen-bonded Turntrans-96.2-1.6177.6-66.5-21000113.2I254 R255 M256I254-N258 PolarHBondContact O-N 3.07Å; I254-N258 VanDerWaalsContact O-N 3.08Å; I254-N258 PolarHBondContact O-ND2 3.06Å; R255-N258 PolarHBondContact O-N 3.06Å; M256-N258 PolarHBondContact O-N 3.07Å
259S90.5Very high93.3Very high35 Ų3553 Ų5325%0.24528%0.278CS..  trans-73.7137.9179.2-177.60000110.7R255 M256 D261R255-S259 PolarHBondContact O-N 2.79Å; R255-S259 VanDerWaalsContact O-N 3.1Å; M256-S259 WeakPolarHBondContact O-CB 3.48Å; M256-S259 PolarHBondContact O-N 2.68Å; S259-D261 PolarHBondContact O-N 3.5Å; S259-D261 PolarHBondContact OG-N 2.92Å
260S86.6Confident93.3Very high108 Ų10858.8 Ų58.876%0.75531%0.305SS*.THydrogen-bonded Turntrans-68.5-21.8174.450.10000113.5D262S260-D262 VanDerWaalsContact C-N 3.29Å; S260-D262 PolarHBondContact O-N 2.89Å
261D85.8Confident93.3Very high115 Ų11559.8 Ų59.862%0.61531%0.31SS*.THydrogen-bonded Turntrans-93.414.6-166.2-59.9-5.2000112.8S259 E263S259-D261 PolarHBondContact O-N 3.5Å; S259-D261 PolarHBondContact OG-N 2.92Å; D261-E263 PolarHBondContact O-N 2.96Å; D261-E263 VanDerWaalsContact O-N 3.11Å
262D87.8Confident93.4Very high52 Ų5256.3 Ų56.328%0.27829%0.291SS..  trans48.738.5-176-68.9-33.4000112.2S260 L264 L265 R266 K273S260-D262 VanDerWaalsContact C-N 3.29Å; S260-D262 PolarHBondContact O-N 2.89Å; D262-L264 PolarHBondContact O-N 3.43Å; D262-L265 PolarHBondContact O-N 2.83Å; D262-R266 PolarHBondContact O-N 3.35Å; D262-K273 IonicContact OD1-NZ 2.74Å; D262-K273 IonicContact OD2-NZ 2.74Å; D262-K273 PolarHBondContact OD2-NZ 2.82Å
263E91.8Very high93.4Very high40 Ų4058.1 Ų58.119%0.18730%0.301CS..G310 helixtrans-52.9-36.4-173.3-172.9-175.2169.700112.2R252 M256 D261 L265R252-E263 IonicContact CZ-OE1 3.95Å; R252-E263 VanDerWaalsContact CZ-OE1 3.31Å; R252-E263 IonicContact NH1-OE1 3.84Å; R252-E263 PolarHBondContact NH1-OE1 3.39Å; R252-E263 IonicContact NH1-OE2 3.11Å; R252-E263 IonicContact NH2-OE1 3.16Å; R252-E263 PolarHBondContact NH2-OE1 3.32Å; M256-E263 HydrophobicContact CE-CG 4.42Å; M256-E263 WeakPolarHBondContact CE-OE1 3.45Å; M256-E263 HydrophobicContact CG-CG 4.34Å; D261-E263 PolarHBondContact O-N 2.96Å; D261-E263 VanDerWaalsContact O-N 3.11Å; E263-L265 VanDerWaalsContact C-N 3.3Å; E263-L265 PolarHBondContact O-N 3.06Å
264L93.3Very high93.5Very high3 Ų361.6 Ų61.62%0.01632%0.322CS..G310 helixtrans-61.6-37178-179.257.2000112.9W215 Y219 I222 P230 W231 M256 L257 D262W215-L264 HydrophobicContact CZ3-CD2 4.3Å; Y219-L264 HydrophobicContact CE1-CD1 4.26Å; Y219-L264 HydrophobicContact CE1-CD2 4.19Å; I222-L264 HydrophobicContact CD1-CD1 3.84Å; I222-L264 HydrophobicContact CD1-CG 4.09Å; P230-L264 HydrophobicContact CG-CD1 4.38Å; W231-L264 HydrophobicContact CH2-CD1 4.27Å; W231-L264 HydrophobicContact CZ3-CD1 3.63Å; M256-L264 HydrophobicContact CB-CB 4.39Å; L257-L264 HydrophobicContact CD2-CD2 3.57Å; L257-L264 HydrophobicContact CG-CD2 4.42Å; D262-L264 PolarHBondContact O-N 3.43Å
265L95.2Very high93.6Very high14 Ų1460.1 Ų60.17%0.07331%0.314CS..G310 helixtrans-106.49.9-170.1-56.9-178.2000113.2I222 D262 E263 G267 L268 F272 K273 Q276I222-L265 HydrophobicContact CD1-CD2 4.23Å; D262-L265 PolarHBondContact O-N 2.83Å; E263-L265 VanDerWaalsContact C-N 3.3Å; E263-L265 PolarHBondContact O-N 3.06Å; L265-G267 PolarHBondContact O-N 2.81Å; L265-G267 VanDerWaalsContact O-N 3.16Å; L265-L268 WeakPolarHBondContact O-CB 3.4Å; L265-L268 PolarHBondContact O-N 2.89Å; L265-F272 HydrophobicContact CD1-CB 4.37Å; L265-F272 HydrophobicContact CD2-CB 4.21Å; L265-K273 HydrophobicContact CD1-CB 4.16Å; L265-Q276 HydrophobicContact CD1-CB 3.91Å
266R92.7Very high93.7Very high170 Ų17052.7 Ų52.764%0.64229%0.287SS*.THydrogen-bonded Turntrans-54.3122.2-178.5-174.2-178.9-64.9175.70.2111D262 L268D262-R266 PolarHBondContact O-N 3.35Å; R266-L268 VanDerWaalsContact C-N 3.33Å
267G92.8Very high93.9Very high61 Ų6155.8 Ų55.863%0.62930%0.301SS*.THydrogen-bonded Turntrans86.6-8.3179.100000115.3L265L265-G267 PolarHBondContact O-N 2.81Å; L265-G267 VanDerWaalsContact O-N 3.16Å
268L95.9Very high94.1Very high22 Ų2256.8 Ų56.812%0.11531%0.305CS..SBendtrans-82.3156.7174.2-72.4110.7000112.2I222 T225 M226 L265 R266 F272I222-L268 HydrophobicContact CB-CD1 4.49Å; I222-L268 HydrophobicContact CG1-CD1 3.87Å; I222-L268 HydrophobicContact CG1-CD2 4.02Å; I222-L268 HydrophobicContact CG2-CD1 4.23Å; T225-L268 HydrophobicContact CG2-CD2 4.37Å; M226-L268 HydrophobicContact CG-CD1 3.94Å; M226-L268 HydrophobicContact CG-CG 4.15Å; M226-L268 HydrophobicContact SD-CG 4.34Å; L265-L268 WeakPolarHBondContact O-CB 3.4Å; L265-L268 PolarHBondContact O-N 2.89Å; R266-L268 VanDerWaalsContact C-N 3.33Å; L268-F272 HydrophobicContact CB-CB 4.28Å; L268-F272 HydrophobicContact CB-CD2 4.19Å; L268-F272 HydrophobicContact CB-CG 4.16Å; L268-F272 HydrophobicContact CD2-CD1 3.68Å; L268-F272 HydrophobicContact CD2-CD2 4.09Å; L268-F272 HydrophobicContact CD2-CE1 3.69Å; L268-F272 HydrophobicContact CD2-CE2 4.09Å; L268-F272 HydrophobicContact CD2-CG 3.88Å; L268-F272 HydrophobicContact CD2-CZ 3.89Å
269P96.9Very high94.4Very high13 Ų1350.8 Ų50.88%0.08427%0.273CS..  trans-53.3141.7169.7-25.934.2000112.7L121 E271 F272 V300L121-P269 HydrophobicContact CD1-CG 3.76Å; L121-P269 HydrophobicContact CD2-CG 4.23Å; P269-E271 VanDerWaalsContact CB-OE2 3.25Å; P269-E271 WeakPolarHBondContact CB-OE2 3.47Å; P269-E271 PolarHBondContact O-N 3Å; P269-F272 HydrophobicContact CB-CD2 4.07Å; P269-F272 HydrophobicContact CB-CE2 4.38Å; P269-F272 HydrophobicContact CG-CD2 4.2Å; P269-F272 HydrophobicContact CG-CE2 4.1Å; P269-F272 WeakPolarHBondContact O-CB 2.98Å; P269-F272 WeakPolarHBondContact O-CD2 3.48Å; P269-F272 PolarHBondContact O-N 3.19Å; P269-V300 HydrophobicContact CB-CG1 4.08Å; P269-V300 HydrophobicContact CB-CG2 3.67Å; P269-V300 HydrophobicContact CG-CG1 3.86Å; P269-V300 HydrophobicContact CG-CG2 4.11Å
270Q96Very high94.7Very high135 Ų13553 Ų5363%0.63128%0.279SS*.THydrogen-bonded Turntrans-53.4-27.1-177.875.4-171.71.400114.4F272 K273 R303Q270-F272 PolarHBondContact O-N 3.43Å; Q270-K273 WeakPolarHBondContact O-CB 3.31Å; Q270-K273 PolarHBondContact O-N 2.88Å; Q270-R303 VanDerWaalsContact CG-NH1 3.33Å; Q270-R303 VanDerWaalsContact NE2-NH1 3.12Å
271E97.6Very high95.3Very high21 Ų2154.5 Ų54.510%0.09827%0.274CS..Hα-helixtrans-62.6-25179.5-63.979.5-176.800111.9P269 K273 V274 I275 A296 V300 R303P269-E271 VanDerWaalsContact CB-OE2 3.25Å; P269-E271 WeakPolarHBondContact CB-OE2 3.47Å; P269-E271 PolarHBondContact O-N 3Å; E271-K273 PolarHBondContact O-N 3.33Å; E271-V274 WeakPolarHBondContact O-CB 3.33Å; E271-V274 PolarHBondContact O-N 2.64Å; E271-V274 VanDerWaalsContact O-N 3.17Å; E271-I275 PolarHBondContact O-N 3.23Å; E271-A296 HydrophobicContact CB-CB 4.14Å; E271-A296 VanDerWaalsContact CB-O 3.29Å; E271-A296 WeakPolarHBondContact CB-O 3.4Å; E271-A296 WeakPolarHBondContact CG-O 3.49Å; E271-V300 HydrophobicContact CB-CG2 3.89Å; E271-V300 HydrophobicContact CG-CG2 4Å; E271-R303 VanDerWaalsContact CD-NH2 3.32Å; E271-R303 IonicContact OE1-CZ 3.83Å; E271-R303 IonicContact OE1-NE 2.74Å; E271-R303 PolarHBondContact OE1-NE 3.24Å; E271-R303 IonicContact OE1-NH1 3.94Å; E271-R303 IonicContact OE1-NH2 2.7Å; E271-R303 PolarHBondContact OE1-NH2 3.11Å; E271-R303 IonicContact OE2-CZ 3.27Å; E271-R303 IonicContact OE2-NH1 2.99Å; E271-R303 IonicContact OE2-NH2 3.58Å; E271-R303 PolarHBondContact OE2-NH2 2.86Å
272F97.7Very high95.8Very high0 Ų049.8 Ų49.80%025%0.248CC..Hα-helixtrans-64.9-23.2173.2-79.5-100.6000113.1I125 L218 I221 L265 L268 P269 Q270 V274 I275 Q276 L297I125-F272 HydrophobicContact CD1-CE2 3.8Å; I125-F272 HydrophobicContact CD1-CZ 4.05Å; L218-F272 HydrophobicContact CD1-CD1 3.68Å; L218-F272 HydrophobicContact CD1-CE1 4.11Å; I221-F272 HydrophobicContact CB-CE1 4.47Å; I221-F272 HydrophobicContact CG2-CE1 3.67Å; I221-F272 HydrophobicContact CG2-CZ 3.75Å; L265-F272 HydrophobicContact CD1-CB 4.37Å; L265-F272 HydrophobicContact CD2-CB 4.21Å; L268-F272 HydrophobicContact CB-CB 4.28Å; L268-F272 HydrophobicContact CB-CD2 4.19Å; L268-F272 HydrophobicContact CB-CG 4.16Å; L268-F272 HydrophobicContact CD2-CD1 3.68Å; L268-F272 HydrophobicContact CD2-CD2 4.09Å; L268-F272 HydrophobicContact CD2-CE1 3.69Å; L268-F272 HydrophobicContact CD2-CE2 4.09Å; L268-F272 HydrophobicContact CD2-CG 3.88Å; L268-F272 HydrophobicContact CD2-CZ 3.89Å; P269-F272 HydrophobicContact CB-CD2 4.07Å; P269-F272 HydrophobicContact CB-CE2 4.38Å; P269-F272 HydrophobicContact CG-CD2 4.2Å; P269-F272 HydrophobicContact CG-CE2 4.1Å; P269-F272 WeakPolarHBondContact O-CB 2.98Å; P269-F272 WeakPolarHBondContact O-CD2 3.48Å; P269-F272 PolarHBondContact O-N 3.19Å; Q270-F272 PolarHBondContact O-N 3.43Å; F272-V274 VanDerWaalsContact C-N 3.34Å; F272-I275 HydrophobicContact CD1-CD1 4.32Å; F272-I275 WeakPolarHBondContact O-CB 3.39Å; F272-I275 PolarHBondContact O-N 3.05Å; F272-Q276 PolarHBondContact O-N 3.04Å; F272-L297 HydrophobicContact CE2-CD2 4.35Å; F272-L297 HydrophobicContact CZ-CD2 4.05Å
273K96.7Very high96.3Very high95 Ų9550.5 Ų50.541%0.41325%0.254SS..Hα-helixtrans-64.9-39.9173.6-171.5167.4-175152.70111.5D262 L265 Q270 E271 I275 Q276 E277D262-K273 IonicContact OD1-NZ 2.74Å; D262-K273 IonicContact OD2-NZ 2.74Å; D262-K273 PolarHBondContact OD2-NZ 2.82Å; L265-K273 HydrophobicContact CD1-CB 4.16Å; Q270-K273 WeakPolarHBondContact O-CB 3.31Å; Q270-K273 PolarHBondContact O-N 2.88Å; E271-K273 PolarHBondContact O-N 3.33Å; K273-I275 VanDerWaalsContact C-N 3.27Å; K273-I275 PolarHBondContact O-N 3.13Å; K273-Q276 PolarHBondContact O-N 2.77Å; K273-E277 HydrophobicContact CG-CG 4.45Å; K273-E277 WeakPolarHBondContact O-CG 3.39Å; K273-E277 PolarHBondContact O-N 3.33Å
274V97.3Very high96.6Very high76 Ų7649.7 Ų49.746%0.46125%0.25SS..Hα-helixtrans-60.8-41.3175.7-177.60000110.5E271 F272 H278 L292E271-V274 WeakPolarHBondContact O-CB 3.33Å; E271-V274 PolarHBondContact O-N 2.64Å; E271-V274 VanDerWaalsContact O-N 3.17Å; F272-V274 VanDerWaalsContact C-N 3.34Å; V274-H278 WeakPolarHBondContact O-CB 3.23Å; V274-H278 PolarHBondContact O-N 3.4Å; V274-H278 VanDerWaalsContact O-N 3.1Å; V274-L292 HydrophobicContact CG1-CD2 4.07Å; V274-L292 HydrophobicContact CG1-CG 4.33Å
275I98.3Very high96.8Very high0 Ų055.3 Ų55.30%027%0.272CS..Hα-helixtrans-64.2-51.5177.1-58.4173.1000110.5W217 E271 F272 K273 E277 H278 L279 I293 A296 L297W217-I275 HydrophobicContact CH2-CD1 4.27Å; W217-I275 HydrophobicContact CZ3-CG2 3.93Å; E271-I275 PolarHBondContact O-N 3.23Å; F272-I275 HydrophobicContact CD1-CD1 4.32Å; F272-I275 WeakPolarHBondContact O-CB 3.39Å; F272-I275 PolarHBondContact O-N 3.05Å; K273-I275 VanDerWaalsContact C-N 3.27Å; K273-I275 PolarHBondContact O-N 3.13Å; I275-E277 PolarHBondContact O-N 2.93Å; I275-H278 PolarHBondContact O-N 3.47Å; I275-L279 HydrophobicContact CG2-CD1 4.31Å; I275-L279 HydrophobicContact CG2-CG 4.5Å; I275-L279 WeakPolarHBondContact O-CG 3.38Å; I275-L279 PolarHBondContact O-N 2.63Å; I275-I293 HydrophobicContact CD1-CG2 3.89Å; I275-I293 HydrophobicContact CG1-CG2 4.05Å; I275-I293 HydrophobicContact CG2-CG1 4.33Å; I275-I293 HydrophobicContact CG2-CG2 4.18Å; I275-A296 HydrophobicContact CD1-CB 4.1Å; I275-A296 HydrophobicContact CG1-CB 3.83Å; I275-L297 HydrophobicContact CD1-CD2 4.16Å; I275-L297 HydrophobicContact CD1-CG 4.32Å
276Q97.5Very high97Very high6 Ų657.6 Ų57.63%0.02828%0.284CS..Hα-helixtrans-58.3-47.1179.6-179.9-168.7-83.800112.1W215 L257 L265 F272 K273 H278 L279 K280W215-Q276 HydrophobicContact CH2-CG 4.06Å; W215-Q276 HydrophobicContact CZ3-CG 4.42Å; L257-Q276 HydrophobicContact CD2-CG 4.26Å; L265-Q276 HydrophobicContact CD1-CB 3.91Å; F272-Q276 PolarHBondContact O-N 3.04Å; K273-Q276 PolarHBondContact O-N 2.77Å; Q276-H278 VanDerWaalsContact C-N 3.32Å; Q276-H278 PolarHBondContact O-N 3.27Å; Q276-L279 PolarHBondContact O-N 3.08Å; Q276-K280 HydrophobicContact CG-CD 4.02Å; Q276-K280 WeakPolarHBondContact O-CG 3.18Å; Q276-K280 PolarHBondContact O-N 2.73Å
277E96.8Very high97.2Very high67 Ų6753.1 Ų53.131%0.31328%0.278SS..Hα-helixtrans-65-37.3-178.7-68.9-48.7123.300111.8K273 I275 K280 Q281K273-E277 HydrophobicContact CG-CG 4.45Å; K273-E277 WeakPolarHBondContact O-CG 3.39Å; K273-E277 PolarHBondContact O-N 3.33Å; I275-E277 PolarHBondContact O-N 2.93Å; E277-K280 PolarHBondContact O-N 3.35Å; E277-K280 IonicContact OE1-NZ 2.92Å; E277-K280 PolarHBondContact OE1-NZ 3.02Å; E277-K280 IonicContact OE2-NZ 3.09Å; E277-K280 PolarHBondContact OE2-NZ 3.07Å; E277-K280 VanDerWaalsContact OE2-NZ 3.09Å; E277-Q281 WeakPolarHBondContact O-CG 3.5Å
278H98.3Very high97.5Very high33 Ų3350.3 Ų50.315%0.15325%0.248CC..Hα-helixtrans-59.6-49.1170.1172.365.9000111.9V274 I275 Q276 K280 Q281 N289 L292V274-H278 WeakPolarHBondContact O-CB 3.23Å; V274-H278 PolarHBondContact O-N 3.4Å; V274-H278 VanDerWaalsContact O-N 3.1Å; I275-H278 PolarHBondContact O-N 3.47Å; Q276-H278 VanDerWaalsContact C-N 3.32Å; Q276-H278 PolarHBondContact O-N 3.27Å; H278-K280 VanDerWaalsContact C-N 3.29Å; H278-K280 PolarHBondContact O-N 2.74Å; H278-Q281 PolarHBondContact O-N 3.47Å; H278-Q281 VanDerWaalsContact O-N 3.12Å; H278-N289 PolarHBondContact CE1-N 3.36Å; H278-N289 PolarHBondContact NE2-N 3.16Å; H278-L292 HydrophobicContact CB-CD2 3.66Å
279L98.1Very high97.6Very high1 Ų153.2 Ų53.21%0.00526%0.264CS..Hα-helixtrans-63.6-31.8-179.1-64.2-177.8000113.5V214 W215 L218 I275 Q276 Q281 L282V214-L279 HydrophobicContact CB-CD2 3.98Å; V214-L279 HydrophobicContact CG1-CD1 4.13Å; V214-L279 HydrophobicContact CG1-CD2 3.54Å; V214-L279 HydrophobicContact CG1-CG 4.44Å; W215-L279 HydrophobicContact CD2-CB 4.11Å; W215-L279 HydrophobicContact CD2-CD1 3.9Å; W215-L279 HydrophobicContact CE3-CB 4.47Å; W215-L279 HydrophobicContact CE3-CD1 3.86Å; W215-L279 HydrophobicContact CG-CD1 4.4Å; W215-L279 HydrophobicContact CH2-CB 3.81Å; W215-L279 HydrophobicContact CH2-CD1 4.44Å; W215-L279 HydrophobicContact CZ2-CB 3.38Å; W215-L279 HydrophobicContact CZ2-CD1 4.5Å; W215-L279 HydrophobicContact CZ3-CB 4.34Å; W215-L279 HydrophobicContact CZ3-CD1 4.14Å; L218-L279 HydrophobicContact CB-CD1 4.31Å; L218-L279 HydrophobicContact CD2-CD1 3.94Å; I275-L279 HydrophobicContact CG2-CD1 4.31Å; I275-L279 HydrophobicContact CG2-CG 4.5Å; I275-L279 WeakPolarHBondContact O-CG 3.38Å; I275-L279 PolarHBondContact O-N 2.63Å; Q276-L279 PolarHBondContact O-N 3.08Å; L279-Q281 PolarHBondContact O-N 3.22Å; L279-L282 HydrophobicContact CD2-CD1 3.75Å; L279-L282 PolarHBondContact O-N 3.06Å
280K96.8Very high97.7Very high82 Ų8253.2 Ų53.236%0.35726%0.263SS..Hα-helixtrans-64.9-24.6176.1-76.7167.763.4-171.70113.2W215 Q276 E277 H278W215-K280 HydrophobicContact CH2-CG 4.04Å; W215-K280 HydrophobicContact CZ2-CG 4.02Å; Q276-K280 HydrophobicContact CG-CD 4.02Å; Q276-K280 WeakPolarHBondContact O-CG 3.18Å; Q276-K280 PolarHBondContact O-N 2.73Å; E277-K280 PolarHBondContact O-N 3.35Å; E277-K280 IonicContact OE1-NZ 2.92Å; E277-K280 PolarHBondContact OE1-NZ 3.02Å; E277-K280 IonicContact OE2-NZ 3.09Å; E277-K280 PolarHBondContact OE2-NZ 3.07Å; E277-K280 VanDerWaalsContact OE2-NZ 3.09Å; H278-K280 VanDerWaalsContact C-N 3.29Å; H278-K280 PolarHBondContact O-N 2.74Å
281Q97.4Very high97.8Very high139 Ų13948.4 Ų48.465%0.6525%0.249SC*.Hα-helixtrans-85.5-15.1178.7-57.8-53.5-47.500113.4E277 H278 L279E277-Q281 WeakPolarHBondContact O-CG 3.5Å; H278-Q281 PolarHBondContact O-N 3.47Å; H278-Q281 VanDerWaalsContact O-N 3.12Å; L279-Q281 PolarHBondContact O-N 3.22Å
282L98.2Very high97.9Very high15 Ų1549.7 Ų49.78%0.07926%0.257CS..  trans-74.8130.2-173.3-62.6178.9000112.3R211 L279 D286 P288R211-L282 HydrophobicContact CB-CB 3.77Å; R211-L282 HydrophobicContact CB-CD1 3.84Å; R211-L282 HydrophobicContact CB-CG 4.49Å; R211-L282 WeakPolarHBondContact CD-O 3.37Å; R211-L282 PolarHBondContact NH1-O 3.02Å; L279-L282 HydrophobicContact CD2-CD1 3.75Å; L279-L282 PolarHBondContact O-N 3.06Å; L282-D286 HydrophobicContact CB-CB 4.48Å; L282-D286 HydrophobicContact CD2-CB 3.75Å; L282-P288 HydrophobicContact CD1-CB 3.96Å; L282-P288 HydrophobicContact CD1-CG 3.97Å
283T97.8Very high97.9Very high67 Ų6749.7 Ų49.741%0.41126%0.257SS..  trans-95.9176.6169.475.90000111.1Y285 D286T283-Y285 PolarHBondContact O-N 3.13Å; T283-D286 WeakPolarHBondContact CA-OD2 3.38Å; T283-D286 VanDerWaalsContact CB-OD2 3.29Å; T283-D286 WeakPolarHBondContact CB-OD2 3.36Å; T283-D286 WeakPolarHBondContact CG2-OD2 3.22Å; T283-D286 PolarHBondContact N-OD2 2.79Å; T283-D286 PolarHBondContact O-N 3.38Å; T283-D286 VanDerWaalsContact OG1-CG 3.31Å; T283-D286 PolarHBondContact OG1-OD2 3.11Å
284Y97.6Very high98Very high24 Ų2447 Ų479%0.09424%0.244CC..THydrogen-bonded Turntrans-54.5-35.1179.1176.4-101.5000114.1H182 K183 P185 E207 S209H182-Y284 AromaticContact CE1-CD1 3.94Å; H182-Y284 AromaticContact CE1-CE1 3.28Å; H182-Y284 WeakPolarHBondContact CE1-CE1 3.3Å; H182-Y284 AromaticContact CE1-CZ 3.37Å; H182-Y284 AromaticContact ND1-CE1 3.45Å; H182-Y284 WeakPolarHBondContact ND1-CE1 3.32Å; H182-Y284 AromaticContact ND1-CZ 3.85Å; H182-Y284 PolarHBondContact NE2-O 3.17Å; K183-Y284 WeakPolarHBondContact O-CE1 3.43Å; K183-Y284 PolarHBondContact O-OH 3.03Å; P185-Y284 HydrophobicContact CB-CD1 4.04Å; P185-Y284 HydrophobicContact CB-CD2 4.27Å; P185-Y284 HydrophobicContact CB-CE1 3.78Å; P185-Y284 HydrophobicContact CB-CE2 4.07Å; P185-Y284 HydrophobicContact CB-CG 4.27Å; P185-Y284 VanDerWaalsContact CD-CE1 3.48Å; P185-Y284 HydrophobicContact CG-CD1 4.05Å; P185-Y284 HydrophobicContact CG-CE1 4.01Å; E207-Y284 HydrophobicContact CB-CD2 4.29Å; E207-Y284 HydrophobicContact CB-CE2 3.74Å; E207-Y284 HydrophobicContact CG-CD2 4.42Å; E207-Y284 HydrophobicContact CG-CE2 3.43Å; E207-Y284 VanDerWaalsContact CG-CE2 3.43Å; E207-Y284 VanDerWaalsContact O-CD2 3.29Å; E207-Y284 WeakPolarHBondContact O-CD2 3.49Å; E207-Y284 WeakPolarHBondContact O-CE2 3.49Å; S209-Y284 VanDerWaalsContact CB-O 3.22Å; S209-Y284 WeakPolarHBondContact CB-O 3.2Å
285Y98Very high98.1Very high120 Ų12050 Ų5047%0.47125%0.253SS..THydrogen-bonded Turntrans-89.1-15.7-174.1-67.7-69.8000113.6H182 P185 R210 T283H182-Y285 HydrophobicContact CB-CD1 3.96Å; H182-Y285 HydrophobicContact CB-CE1 4.36Å; H182-Y285 AromaticContact CG-CD1 3.82Å; H182-Y285 AromaticContact ND1-CD1 3.97Å; P185-Y285 WeakPolarHBondContact CD-OH 3.19Å; R210-Y285 PolarHBondContact NH2-O 3.09Å; T283-Y285 PolarHBondContact O-N 3.13Å
286D98Very high98.1Very high63 Ų6350.5 Ų50.534%0.33726%0.257SS..PPolyproline II helixtrans-72149.6-169.5-65-42.6000112.2R210 L282 T283R210-D286 PolarHBondContact NE-O 2.97Å; R210-D286 VanDerWaalsContact NH2-C 3.31Å; R210-D286 PolarHBondContact NH2-O 2.9Å; L282-D286 HydrophobicContact CB-CB 4.48Å; L282-D286 HydrophobicContact CD2-CB 3.75Å; T283-D286 WeakPolarHBondContact CA-OD2 3.38Å; T283-D286 VanDerWaalsContact CB-OD2 3.29Å; T283-D286 WeakPolarHBondContact CB-OD2 3.36Å; T283-D286 WeakPolarHBondContact CG2-OD2 3.22Å; T283-D286 PolarHBondContact N-OD2 2.79Å; T283-D286 PolarHBondContact O-N 3.38Å; T283-D286 VanDerWaalsContact OG1-CG 3.31Å; T283-D286 PolarHBondContact OG1-OD2 3.11Å
287C98Very high98.1Very high75 Ų7550.2 Ų50.251%0.50726%0.256SS..PPolyproline II helixtrans-90.4123.1165.8-169.10000107.8N289C287-N289 PolarHBondContact O-N 2.95Å
288P98.6Very high98.2Very high2 Ų250.1 Ų50.11%0.01326%0.256CS..PPolyproline II helixtrans-55133.2169.9-22.331.6000110.3R210 V214 L282 Y290R210-P288 HydrophobicContact CB-CG 3.85Å; V214-P288 HydrophobicContact CG2-CB 4.14Å; V214-P288 HydrophobicContact CG2-CG 3.88Å; L282-P288 HydrophobicContact CD1-CB 3.96Å; L282-P288 HydrophobicContact CD1-CG 3.97Å; P288-Y290 VanDerWaalsContact C-N 3.26Å; P288-Y290 HydrophobicContact CB-CD1 4.5Å; P288-Y290 HydrophobicContact CB-CE1 4.03Å; P288-Y290 HydrophobicContact CB-CE2 4.28Å; P288-Y290 HydrophobicContact CG-CE1 4.37Å; P288-Y290 WeakPolarHBondContact O-CD2 3.27Å; P288-Y290 VanDerWaalsContact O-CE2 3.28Å; P288-Y290 WeakPolarHBondContact O-CE2 3.48Å; P288-Y290 PolarHBondContact O-N 2.8Å
289N98.7Very high98.2Very high83 Ų8349.1 Ų49.144%0.44426%0.255SS..  trans-7481.5171.5-172.8-17.3000109.8H278 C287 G291 L292 I293H278-N289 PolarHBondContact CE1-N 3.36Å; H278-N289 PolarHBondContact NE2-N 3.16Å; C287-N289 PolarHBondContact O-N 2.95Å; N289-G291 PolarHBondContact O-N 2.81Å; N289-G291 PolarHBondContact OD1-N 3.08Å; N289-L292 HydrophobicContact CB-CB 4.05Å; N289-L292 PolarHBondContact O-N 3.27Å; N289-L292 VanDerWaalsContact O-N 3.17Å; N289-L292 PolarHBondContact OD1-N 3.47Å; N289-I293 PolarHBondContact O-N 3.42Å
290Y98.7Very high98.2Very high14 Ų1449 Ų496%0.05525%0.254CS..Hα-helixtrans-57.2-37179-56.6-79000111.8L132 E136 H139 V214 P288 L292 I293 Y294L132-Y290 HydrophobicContact CD1-CD1 3.93Å; L132-Y290 HydrophobicContact CD1-CE1 4.21Å; L132-Y290 HydrophobicContact CD2-CD1 4.45Å; L132-Y290 HydrophobicContact CG-CD1 4.12Å; E136-Y290 HydrophobicContact CB-CD1 4.05Å; E136-Y290 HydrophobicContact CB-CD2 4.44Å; E136-Y290 HydrophobicContact CB-CE1 4.21Å; E136-Y290 HydrophobicContact CB-CG 4.2Å; E136-Y290 HydrophobicContact CG-CD1 4.28Å; E136-Y290 HydrophobicContact CG-CD2 3.82Å; E136-Y290 HydrophobicContact CG-CE2 4.14Å; E136-Y290 HydrophobicContact CG-CG 3.92Å; E136-Y290 VanDerWaalsContact OE1-CB 3.32Å; E136-Y290 WeakPolarHBondContact OE1-CB 3.34Å; H139-Y290 AromaticContact ND1-CZ 3.69Å; H139-Y290 PolarHBondContact ND1-OH 3.16Å; V214-Y290 HydrophobicContact CG2-CE1 4.04Å; P288-Y290 VanDerWaalsContact C-N 3.26Å; P288-Y290 HydrophobicContact CB-CD1 4.5Å; P288-Y290 HydrophobicContact CB-CE1 4.03Å; P288-Y290 HydrophobicContact CB-CE2 4.28Å; P288-Y290 HydrophobicContact CG-CE1 4.37Å; P288-Y290 WeakPolarHBondContact O-CD2 3.27Å; P288-Y290 VanDerWaalsContact O-CE2 3.28Å; P288-Y290 WeakPolarHBondContact O-CE2 3.48Å; P288-Y290 PolarHBondContact O-N 2.8Å; Y290-L292 VanDerWaalsContact C-N 3.35Å; Y290-L292 PolarHBondContact O-N 2.87Å; Y290-I293 WeakPolarHBondContact O-CB 3.27Å; Y290-I293 PolarHBondContact O-N 3.01Å; Y290-I293 VanDerWaalsContact O-N 3.08Å; Y290-Y294 WeakPolarHBondContact O-CD2 3.34Å; Y290-Y294 PolarHBondContact O-N 2.82Å
291G98.7Very high98.1Very high34 Ų3446.7 Ų46.735%0.35124%0.244SC..Hα-helixtrans-55.9-45.4175.800000113.1N289 I293 Y294 Q295N289-G291 PolarHBondContact O-N 2.81Å; N289-G291 PolarHBondContact OD1-N 3.08Å; G291-I293 VanDerWaalsContact C-N 3.34Å; G291-I293 PolarHBondContact O-N 2.78Å; G291-Y294 PolarHBondContact O-N 3.41Å; G291-Q295 WeakPolarHBondContact O-CB 3.27Å; G291-Q295 VanDerWaalsContact O-CG 3.27Å; G291-Q295 WeakPolarHBondContact O-CG 3.43Å; G291-Q295 PolarHBondContact O-N 3.26Å
292L98.7Very high98.1Very high48 Ų4848.1 Ų48.125%0.25124%0.244SC..Hα-helixtrans-62.5-40.7175173.8141.5000111.9V274 H278 N289 Y290 Q295 A296V274-L292 HydrophobicContact CG1-CD2 4.07Å; V274-L292 HydrophobicContact CG1-CG 4.33Å; H278-L292 HydrophobicContact CB-CD2 3.66Å; N289-L292 HydrophobicContact CB-CB 4.05Å; N289-L292 PolarHBondContact O-N 3.27Å; N289-L292 VanDerWaalsContact O-N 3.17Å; N289-L292 PolarHBondContact OD1-N 3.47Å; Y290-L292 VanDerWaalsContact C-N 3.35Å; Y290-L292 PolarHBondContact O-N 2.87Å; L292-Q295 PolarHBondContact O-N 2.96Å; L292-A296 PolarHBondContact O-N 3.21Å
293I98.7Very high98Very high0 Ų052.7 Ų52.70%026%0.26CS..Hα-helixtrans-65.5-45.5177.5-57.3173.1000110.4L132 V214 W217 I275 N289 Y290 G291 Q295 A296 L297L132-I293 HydrophobicContact CD2-CB 3.82Å; L132-I293 HydrophobicContact CD2-CD1 4.35Å; L132-I293 HydrophobicContact CD2-CG2 3.38Å; V214-I293 HydrophobicContact CG1-CD1 3.86Å; W217-I293 HydrophobicContact CH2-CG2 3.46Å; W217-I293 VanDerWaalsContact CH2-CG2 3.46Å; W217-I293 HydrophobicContact CZ2-CG2 4.35Å; W217-I293 HydrophobicContact CZ3-CG2 3.81Å; I275-I293 HydrophobicContact CD1-CG2 3.89Å; I275-I293 HydrophobicContact CG1-CG2 4.05Å; I275-I293 HydrophobicContact CG2-CG1 4.33Å; I275-I293 HydrophobicContact CG2-CG2 4.18Å; N289-I293 PolarHBondContact O-N 3.42Å; Y290-I293 WeakPolarHBondContact O-CB 3.27Å; Y290-I293 PolarHBondContact O-N 3.01Å; Y290-I293 VanDerWaalsContact O-N 3.08Å; G291-I293 VanDerWaalsContact C-N 3.34Å; G291-I293 PolarHBondContact O-N 2.78Å; I293-Q295 PolarHBondContact O-N 3.26Å; I293-A296 WeakPolarHBondContact O-CB 3.43Å; I293-A296 PolarHBondContact O-N 2.97Å; I293-L297 HydrophobicContact CG2-CD1 4.33Å; I293-L297 WeakPolarHBondContact O-CG 3.3Å; I293-L297 PolarHBondContact O-N 3.48Å
294Y98.7Very high98Very high37 Ų3754.7 Ų54.715%0.14526%0.263CS..Hα-helixtrans-61.1-42.8175.2-66.9-51.7000112.1V129 L132 Q133 E136 Y290 G291 A296 L297 M298V129-Y294 HydrophobicContact CG1-CD1 4.24Å; V129-Y294 HydrophobicContact CG1-CE1 4.22Å; L132-Y294 HydrophobicContact CB-CE1 4Å; L132-Y294 HydrophobicContact CD2-CD1 4.1Å; L132-Y294 HydrophobicContact CD2-CE1 3.66Å; L132-Y294 HydrophobicContact CG-CE1 4.02Å; L132-Y294 PolarHBondContact O-OH 3.04Å; Q133-Y294 WeakPolarHBondContact CA-OH 3.45Å; Q133-Y294 HydrophobicContact CG-CE1 3.94Å; Q133-Y294 WeakPolarHBondContact CG-OH 3.2Å; Q133-Y294 PolarHBondContact N-OH 3.42Å; Q133-Y294 VanDerWaalsContact N-OH 3.12Å; E136-Y294 WeakPolarHBondContact OE2-CE2 3.46Å; E136-Y294 PolarHBondContact OE2-OH 3.3Å; Y290-Y294 WeakPolarHBondContact O-CD2 3.34Å; Y290-Y294 PolarHBondContact O-N 2.82Å; G291-Y294 PolarHBondContact O-N 3.41Å; Y294-A296 VanDerWaalsContact C-N 3.31Å; Y294-A296 PolarHBondContact O-N 2.9Å; Y294-L297 PolarHBondContact O-N 2.86Å; Y294-M298 WeakPolarHBondContact O-CB 3.39Å; Y294-M298 VanDerWaalsContact O-CG 3.26Å; Y294-M298 WeakPolarHBondContact O-CG 3.41Å; Y294-M298 PolarHBondContact O-N 2.79Å
295Q98.5Very high98Very high140 Ų14061 Ų6165%0.65429%0.293SS*.Hα-helixtrans-60.8-40.1176.9-76.4175.90.600112.2G291 L292 I293 M298 G299G291-Q295 WeakPolarHBondContact O-CB 3.27Å; G291-Q295 VanDerWaalsContact O-CG 3.27Å; G291-Q295 WeakPolarHBondContact O-CG 3.43Å; G291-Q295 PolarHBondContact O-N 3.26Å; L292-Q295 PolarHBondContact O-N 2.96Å; I293-Q295 PolarHBondContact O-N 3.26Å; Q295-M298 PolarHBondContact O-N 2.99Å; Q295-G299 PolarHBondContact O-N 3.4Å
296A98.5Very high97.9Very high10 Ų1056.9 Ų56.98%0.08328%0.278CS..Hα-helixtrans-62.4-48.5174.400000111.4E271 I275 L292 I293 Y294 M298 G299 V300E271-A296 HydrophobicContact CB-CB 4.14Å; E271-A296 VanDerWaalsContact CB-O 3.29Å; E271-A296 WeakPolarHBondContact CB-O 3.4Å; E271-A296 WeakPolarHBondContact CG-O 3.49Å; I275-A296 HydrophobicContact CD1-CB 4.1Å; I275-A296 HydrophobicContact CG1-CB 3.83Å; L292-A296 PolarHBondContact O-N 3.21Å; I293-A296 WeakPolarHBondContact O-CB 3.43Å; I293-A296 PolarHBondContact O-N 2.97Å; Y294-A296 VanDerWaalsContact C-N 3.31Å; Y294-A296 PolarHBondContact O-N 2.9Å; A296-M298 PolarHBondContact O-N 3.21Å; A296-G299 WeakPolarHBondContact O-CA 3.4Å; A296-G299 PolarHBondContact O-N 3.18Å; A296-V300 PolarHBondContact O-N 3.02Å
297L98.3Very high97.8Very high0 Ų056.6 Ų56.60%028%0.278CS..Hα-helixtrans-61.4-41.9176.9-65.3171.9000112.2I125 A128 V129 W217 F272 I275 I293 Y294 G299 V300 F301I125-L297 HydrophobicContact CD1-CD2 4.15Å; A128-L297 HydrophobicContact CB-CD1 3.97Å; A128-L297 HydrophobicContact CB-CD2 3.79Å; V129-L297 HydrophobicContact CG2-CB 4.06Å; V129-L297 HydrophobicContact CG2-CD1 3.82Å; W217-L297 HydrophobicContact CH2-CD1 4.16Å; W217-L297 HydrophobicContact CZ2-CD1 3.99Å; F272-L297 HydrophobicContact CE2-CD2 4.35Å; F272-L297 HydrophobicContact CZ-CD2 4.05Å; I275-L297 HydrophobicContact CD1-CD2 4.16Å; I275-L297 HydrophobicContact CD1-CG 4.32Å; I293-L297 HydrophobicContact CG2-CD1 4.33Å; I293-L297 WeakPolarHBondContact O-CG 3.3Å; I293-L297 PolarHBondContact O-N 3.48Å; Y294-L297 PolarHBondContact O-N 2.86Å; L297-G299 PolarHBondContact O-N 3.07Å; L297-V300 WeakPolarHBondContact O-CB 3.22Å; L297-V300 PolarHBondContact O-N 2.91Å; L297-V300 VanDerWaalsContact O-N 3.14Å; L297-F301 PolarHBondContact O-N 3.23Å
298M97.6Very high97.5Very high65 Ų6558.4 Ų58.432%0.3228%0.283SS..Hα-helixtrans-67.5-24.7174.5-67.8-60101.500112.7V129 Y294 Q295 A296 V300 F301 R302V129-M298 HydrophobicContact CG2-CE 3.58Å; Y294-M298 WeakPolarHBondContact O-CB 3.39Å; Y294-M298 VanDerWaalsContact O-CG 3.26Å; Y294-M298 WeakPolarHBondContact O-CG 3.41Å; Y294-M298 PolarHBondContact O-N 2.79Å; Q295-M298 PolarHBondContact O-N 2.99Å; A296-M298 PolarHBondContact O-N 3.21Å; M298-V300 VanDerWaalsContact C-N 3.34Å; M298-F301 WeakPolarHBondContact O-CB 3.31Å; M298-F301 PolarHBondContact O-N 3.38Å; M298-R302 WeakPolarHBondContact O-CG 3.06Å; M298-R302 PolarHBondContact O-N 2.9Å; M298-R302 PolarHBondContact O-NH1 2.5Å
299G98.1Very high97.3Very high12 Ų1264 Ų6412%0.12432%0.317CS..Hα-helixtrans-61-42.5169.200000112.1Q295 A296 L297 F301 R302 R303Q295-G299 PolarHBondContact O-N 3.4Å; A296-G299 WeakPolarHBondContact O-CA 3.4Å; A296-G299 PolarHBondContact O-N 3.18Å; L297-G299 PolarHBondContact O-N 3.07Å; G299-F301 VanDerWaalsContact C-N 3.34Å; G299-R302 PolarHBondContact O-N 2.76Å; G299-R303 WeakPolarHBondContact O-CB 3.32Å; G299-R303 PolarHBondContact O-N 2.89Å
300V97.8Very high97.2Very high0 Ų063.2 Ų63.20%031%0.312CS..Hα-helixtrans-60.9-46.6173.1-1710000110.5L121 I125 P269 E271 A296 L297 M298 R302 R303 K304L121-V300 HydrophobicContact CD2-CG1 4.34Å; I125-V300 HydrophobicContact CD1-CB 4.13Å; I125-V300 HydrophobicContact CD1-CG1 4.01Å; I125-V300 HydrophobicContact CD1-CG2 4.08Å; I125-V300 HydrophobicContact CG1-CB 4.28Å; I125-V300 HydrophobicContact CG1-CG1 3.9Å; P269-V300 HydrophobicContact CB-CG1 4.08Å; P269-V300 HydrophobicContact CB-CG2 3.67Å; P269-V300 HydrophobicContact CG-CG1 3.86Å; P269-V300 HydrophobicContact CG-CG2 4.11Å; E271-V300 HydrophobicContact CB-CG2 3.89Å; E271-V300 HydrophobicContact CG-CG2 4Å; A296-V300 PolarHBondContact O-N 3.02Å; L297-V300 WeakPolarHBondContact O-CB 3.22Å; L297-V300 PolarHBondContact O-N 2.91Å; L297-V300 VanDerWaalsContact O-N 3.14Å; M298-V300 VanDerWaalsContact C-N 3.34Å; V300-R302 PolarHBondContact O-N 2.84Å; V300-R303 PolarHBondContact O-N 3.08Å; V300-K304 HydrophobicContact CG1-CG 4.16Å; V300-K304 WeakPolarHBondContact O-CB 3.15Å; V300-K304 PolarHBondContact O-N 2.88Å
301F96.1Very high97.1Very high33 Ų3365.2 Ų65.215%0.14533%0.327CS..Hα-helixtrans-56.5-48.2-179.7-154.7-92.2000111.8L297 M298 G299 E305 F306 T307L297-F301 PolarHBondContact O-N 3.23Å; M298-F301 WeakPolarHBondContact O-CB 3.31Å; M298-F301 PolarHBondContact O-N 3.38Å; G299-F301 VanDerWaalsContact C-N 3.34Å; F301-E305 PolarHBondContact O-N 3.03Å; F301-E305 VanDerWaalsContact O-N 3.11Å; F301-F306 HydrophobicContact CD1-CB 3.97Å; F301-F306 WeakPolarHBondContact CD1-O 3.4Å; F301-F306 HydrophobicContact CD2-CB 3.57Å; F301-F306 HydrophobicContact CD2-CD2 4.19Å; F301-F306 HydrophobicContact CD2-CG 4.4Å; F301-F306 HydrophobicContact CE1-CB 4.07Å; F301-F306 WeakPolarHBondContact CE1-O 3.21Å; F301-F306 HydrophobicContact CE2-CB 3.65Å; F301-F306 HydrophobicContact CG-CB 3.75Å; F301-F306 HydrophobicContact CZ-CB 3.92Å; F301-F306 PolarHBondContact O-N 2.84Å; F301-T307 VanDerWaalsContact CZ-C 3.43Å
302R96.7Very high97Very high169 Ų16963.6 Ų63.664%0.63831%0.31SS*.Hα-helixtrans-63.7-49.2176.7-71.6-172.8-63.7-85.80.1112.5M298 G299 V300 K304 E305M298-R302 WeakPolarHBondContact O-CG 3.06Å; M298-R302 PolarHBondContact O-N 2.9Å; M298-R302 PolarHBondContact O-NH1 2.5Å; G299-R302 PolarHBondContact O-N 2.76Å; V300-R302 PolarHBondContact O-N 2.84Å; R302-K304 VanDerWaalsContact C-N 3.3Å; R302-K304 PolarHBondContact O-N 3.34Å; R302-E305 PolarHBondContact O-N 2.62Å; R302-E305 VanDerWaalsContact O-N 3.16Å
303R97.2Very high96.9Very high110 Ų11061.5 Ų61.542%0.41530%0.299SS..Hα-helixtrans-67.2-31.4-175.8-176179.959.6174.6-6.1113Q270 E271 G299 V300 E305Q270-R303 VanDerWaalsContact CG-NH1 3.33Å; Q270-R303 VanDerWaalsContact NE2-NH1 3.12Å; E271-R303 VanDerWaalsContact CD-NH2 3.32Å; E271-R303 IonicContact OE1-CZ 3.83Å; E271-R303 IonicContact OE1-NE 2.74Å; E271-R303 PolarHBondContact OE1-NE 3.24Å; E271-R303 IonicContact OE1-NH1 3.94Å; E271-R303 IonicContact OE1-NH2 2.7Å; E271-R303 PolarHBondContact OE1-NH2 3.11Å; E271-R303 IonicContact OE2-CZ 3.27Å; E271-R303 IonicContact OE2-NH1 2.99Å; E271-R303 IonicContact OE2-NH2 3.58Å; E271-R303 PolarHBondContact OE2-NH2 2.86Å; G299-R303 WeakPolarHBondContact O-CB 3.32Å; G299-R303 PolarHBondContact O-N 2.89Å; V300-R303 PolarHBondContact O-N 3.08Å; R303-E305 VanDerWaalsContact C-N 3.34Å
304K97Very high96.8Very high109 Ų10961.9 Ų61.947%0.47430%0.301SS..THydrogen-bonded Turntrans-92.64.5177-65.2-64.5-172.31770113L121 V300 R302 F306L121-K304 HydrophobicContact CD2-CD 4.38Å; L121-K304 HydrophobicContact CD2-CG 4.12Å; V300-K304 HydrophobicContact CG1-CG 4.16Å; V300-K304 WeakPolarHBondContact O-CB 3.15Å; V300-K304 PolarHBondContact O-N 2.88Å; R302-K304 VanDerWaalsContact C-N 3.3Å; R302-K304 PolarHBondContact O-N 3.34Å; K304-F306 HydrophobicContact CB-CD1 3.96Å; K304-F306 HydrophobicContact CB-CD2 3.91Å; K304-F306 HydrophobicContact CB-CE1 3.73Å; K304-F306 HydrophobicContact CB-CE2 3.67Å; K304-F306 HydrophobicContact CB-CG 4.05Å; K304-F306 HydrophobicContact CB-CZ 3.57Å; K304-F306 HydrophobicContact CG-CE2 4.12Å; K304-F306 HydrophobicContact CG-CZ 4.05Å; K304-F306 PolarHBondContact O-N 2.84Å; K304-F306 VanDerWaalsContact O-N 3.13Å
305E97.2Very high96.6Very high157 Ų15760.9 Ų60.973%0.73430%0.297SS*.THydrogen-bonded Turntrans51.834.6-179.5-56.7-177.8151.300112.9F301 R302 R303 M310F301-E305 PolarHBondContact O-N 3.03Å; F301-E305 VanDerWaalsContact O-N 3.11Å; R302-E305 PolarHBondContact O-N 2.62Å; R302-E305 VanDerWaalsContact O-N 3.16Å; R303-E305 VanDerWaalsContact C-N 3.34Å; E305-M310 VanDerWaalsContact O-CE 3.23Å; E305-M310 WeakPolarHBondContact O-CE 3.3Å
306F97.2Very high96.3Very high33 Ų3357.3 Ų57.315%0.14529%0.286CS..  trans-66.9147.9174.8-67-27.2000109.9L121 R122 F301 K304 M310L121-F306 HydrophobicContact CB-CZ 4.19Å; L121-F306 HydrophobicContact CD2-CE2 4.39Å; L121-F306 HydrophobicContact CD2-CZ 4.21Å; L121-F306 HydrophobicContact CG-CE2 4.07Å; L121-F306 HydrophobicContact CG-CZ 4.07Å; R122-F306 HydrophobicContact CB-CD1 4.15Å; R122-F306 HydrophobicContact CB-CD2 4.44Å; R122-F306 HydrophobicContact CB-CE1 3.88Å; R122-F306 HydrophobicContact CB-CE2 4.2Å; R122-F306 HydrophobicContact CB-CG 4.43Å; R122-F306 HydrophobicContact CB-CZ 3.91Å; R122-F306 VanDerWaalsContact CD-CG 3.41Å; R122-F306 HydrophobicContact CG-CD1 4.39Å; R122-F306 HydrophobicContact CG-CG 4.47Å; F301-F306 HydrophobicContact CD1-CB 3.97Å; F301-F306 WeakPolarHBondContact CD1-O 3.4Å; F301-F306 HydrophobicContact CD2-CB 3.57Å; F301-F306 HydrophobicContact CD2-CD2 4.19Å; F301-F306 HydrophobicContact CD2-CG 4.4Å; F301-F306 HydrophobicContact CE1-CB 4.07Å; F301-F306 WeakPolarHBondContact CE1-O 3.21Å; F301-F306 HydrophobicContact CE2-CB 3.65Å; F301-F306 HydrophobicContact CG-CB 3.75Å; F301-F306 HydrophobicContact CZ-CB 3.92Å; F301-F306 PolarHBondContact O-N 2.84Å; K304-F306 HydrophobicContact CB-CD1 3.96Å; K304-F306 HydrophobicContact CB-CD2 3.91Å; K304-F306 HydrophobicContact CB-CE1 3.73Å; K304-F306 HydrophobicContact CB-CE2 3.67Å; K304-F306 HydrophobicContact CB-CG 4.05Å; K304-F306 HydrophobicContact CB-CZ 3.57Å; K304-F306 HydrophobicContact CG-CE2 4.12Å; K304-F306 HydrophobicContact CG-CZ 4.05Å; K304-F306 PolarHBondContact O-N 2.84Å; K304-F306 VanDerWaalsContact O-N 3.13Å; F306-M310 HydrophobicContact CB-SD 4.35Å; F306-M310 HydrophobicContact CD1-SD 3.88Å
307T95.6Very high96.1Very high57 Ų5763.5 Ų63.535%0.3531%0.313SS..  trans-127.5161.9172.672.20000110.2R122 F301 T309 M310R122-T307 PolarHBondContact NE-O 2.8Å; R122-T307 VanDerWaalsContact NE-O 3.15Å; R122-T307 PolarHBondContact NH2-O 3.24Å; F301-T307 VanDerWaalsContact CZ-C 3.43Å; T307-T309 PolarHBondContact O-N 2.8Å; T307-T309 PolarHBondContact OG1-N 3.01Å; T307-T309 PolarHBondContact OG1-OG1 2.79Å; T307-M310 HydrophobicContact CG2-CE 4.48Å; T307-M310 PolarHBondContact O-N 2.99Å; T307-M310 WeakPolarHBondContact OG1-CG 3.34Å; T307-M310 PolarHBondContact OG1-N 2.8Å
308D91.5Very high95.9Very high113 Ų11364 Ų6460%0.60432%0.318SS*.THydrogen-bonded Turntrans-64.8-31.7172.7-69.9-27.5000110.5R162 M310R162-D308 PolarHBondContact NH1-O 3.43Å; R162-D308 PolarHBondContact NH2-O 3.3Å; D308-M310 PolarHBondContact O-N 2.88Å
309T94.1Very high95.8Very high120 Ų12068.2 Ų68.274%0.73634%0.337SS*.THydrogen-bonded Turntrans-71.5-14.7-179.759.70000114.3T307T307-T309 PolarHBondContact O-N 2.8Å; T307-T309 PolarHBondContact OG1-N 3.01Å; T307-T309 PolarHBondContact OG1-OG1 2.79Å
310M96.4Very high95.6Very high67 Ų6769 Ų6933%0.3334%0.336SS..SBendtrans-64.1129.4175.3-72.7179.5-178.300110.6R122 R162 E305 F306 T307 D308R122-M310 HydrophobicContact CG-CB 4.34Å; R162-M310 PolarHBondContact NH2-O 2.89Å; E305-M310 VanDerWaalsContact O-CE 3.23Å; E305-M310 WeakPolarHBondContact O-CE 3.3Å; F306-M310 HydrophobicContact CB-SD 4.35Å; F306-M310 HydrophobicContact CD1-SD 3.88Å; T307-M310 HydrophobicContact CG2-CE 4.48Å; T307-M310 PolarHBondContact O-N 2.99Å; T307-M310 WeakPolarHBondContact OG1-CG 3.34Å; T307-M310 PolarHBondContact OG1-N 2.8Å; D308-M310 PolarHBondContact O-N 2.88Å
311P96.2Very high95.5Very high56 Ų5670.5 Ų70.536%0.36434%0.344SS..PPolyproline II helixtrans-62.4141.5177.1-23.934.6000112.4E315 Q317P311-E315 VanDerWaalsContact CA-OE2 3.31Å; P311-E315 WeakPolarHBondContact CA-OE2 3.26Å; P311-Q317 HydrophobicContact CB-CB 3.99Å; P311-Q317 HydrophobicContact CG-CB 3.7Å
312L97.1Very high95.4Very high0 Ų075.6 Ų75.60%037%0.368CS..PPolyproline II helixtrans-84.2162.1168.1-48.4171.9000110.4S123 H126 R162 W314 E315 G318S123-L312 WeakPolarHBondContact OG-CA 3.1Å; H126-L312 HydrophobicContact CB-CD2 3.83Å; R162-L312 HydrophobicContact CB-CD1 4.47Å; R162-L312 HydrophobicContact CG-CD1 4.01Å; L312-W314 HydrophobicContact CB-CD2 4.23Å; L312-W314 HydrophobicContact CB-CE3 4.36Å; L312-W314 HydrophobicContact CB-CH2 4.15Å; L312-W314 HydrophobicContact CB-CZ2 4.03Å; L312-W314 HydrophobicContact CB-CZ3 4.33Å; L312-W314 HydrophobicContact CD1-CH2 4Å; L312-W314 HydrophobicContact CD1-CZ2 3.44Å; L312-W314 VanDerWaalsContact CD1-CZ2 3.44Å; L312-W314 HydrophobicContact CG-CZ2 4.33Å; L312-W314 PolarHBondContact O-N 2.97Å; L312-E315 HydrophobicContact CB-CG 3.97Å; L312-E315 HydrophobicContact CG-CG 4.38Å; L312-E315 PolarHBondContact N-OE2 2.85Å; L312-E315 PolarHBondContact O-N 3.21Å; L312-G318 VanDerWaalsContact O-CA 3.28Å; L312-G318 WeakPolarHBondContact O-CA 3.38Å
313D97.1Very high95.3Very high4 Ų470 Ų702%0.02135%0.349CS..THydrogen-bonded Turntrans-58-28.3-171.3-58.7-4.9000113L107 F119 T120 S123 Y320 H321L107-D313 HydrophobicContact CD2-CB 4.29Å; F119-D313 WeakPolarHBondContact CA-OD2 3.49Å; F119-D313 WeakPolarHBondContact CB-OD2 3.12Å; F119-D313 HydrophobicContact CD1-CB 4.29Å; F119-D313 VanDerWaalsContact CD1-OD2 3.32Å; F119-D313 WeakPolarHBondContact CD1-OD2 3.38Å; T120-D313 WeakPolarHBondContact CB-OD1 3.16Å; T120-D313 WeakPolarHBondContact CG2-OD1 3.25Å; T120-D313 PolarHBondContact N-OD2 2.76Å; T120-D313 PolarHBondContact OG1-OD1 2.84Å; S123-D313 VanDerWaalsContact CB-CG 3.47Å; S123-D313 WeakPolarHBondContact CB-OD1 3.42Å; S123-D313 WeakPolarHBondContact CB-OD2 3.33Å; S123-D313 PolarHBondContact OG-N 3.41Å; S123-D313 PolarHBondContact OG-OD1 3.41Å; S123-D313 PolarHBondContact OG-OD2 3Å; D313-Y320 HydrophobicContact CB-CD2 4.2Å; D313-Y320 CarbonylContact O-C 3.58Å; D313-Y320 VanDerWaalsContact O-C 3.24Å; D313-H321 PolarHBondContact O-N 2.86Å
314W95.6Very high95.2Very high8 Ų865.2 Ų65.23%0.0333%0.333CS..THydrogen-bonded Turntrans-101.8-3.2-17859.788.5000114.8L103 F119 L127 V155 F161 L312 H321 T324L103-W314 HydrophobicContact CD1-CD2 4.26Å; L103-W314 HydrophobicContact CD1-CE3 4.28Å; L103-W314 HydrophobicContact CD1-CG 4.38Å; L103-W314 HydrophobicContact CD2-CB 4.02Å; F119-W314 HydrophobicContact CD1-CE3 4.05Å; F119-W314 AromaticContact CD1-CZ3 3.69Å; F119-W314 HydrophobicContact CD1-CZ3 3.69Å; F119-W314 AromaticContact CE1-CE3 3.68Å; F119-W314 HydrophobicContact CE1-CE3 3.68Å; F119-W314 AromaticContact CE1-CZ3 3.56Å; F119-W314 HydrophobicContact CE1-CZ3 3.56Å; L127-W314 HydrophobicContact CD1-CH2 4.06Å; L127-W314 HydrophobicContact CD1-CZ3 4.08Å; L127-W314 HydrophobicContact CD2-CH2 3.46Å; L127-W314 VanDerWaalsContact CD2-CH2 3.46Å; L127-W314 HydrophobicContact CD2-CZ2 4.01Å; L127-W314 HydrophobicContact CD2-CZ3 4.24Å; L127-W314 HydrophobicContact CG-CH2 3.68Å; L127-W314 HydrophobicContact CG-CZ3 4.21Å; V155-W314 HydrophobicContact CG1-CD2 4.23Å; V155-W314 HydrophobicContact CG1-CZ2 3.86Å; F161-W314 PolarHBondContact O-NE1 3.13Å; L312-W314 HydrophobicContact CB-CD2 4.23Å; L312-W314 HydrophobicContact CB-CE3 4.36Å; L312-W314 HydrophobicContact CB-CH2 4.15Å; L312-W314 HydrophobicContact CB-CZ2 4.03Å; L312-W314 HydrophobicContact CB-CZ3 4.33Å; L312-W314 HydrophobicContact CD1-CH2 4Å; L312-W314 HydrophobicContact CD1-CZ2 3.44Å; L312-W314 VanDerWaalsContact CD1-CZ2 3.44Å; L312-W314 HydrophobicContact CG-CZ2 4.33Å; L312-W314 PolarHBondContact O-N 2.97Å; W314-H321 PolarHBondContact O-ND1 3.49Å; W314-T324 WeakPolarHBondContact CA-OG1 3.2Å; W314-T324 HydrophobicContact CB-CG2 3.91Å
315E95Very high95Very high15 Ų1565.3 Ų65.37%0.0734%0.336CS..SBendtrans-75.5154.4177.2-67.9-169.8128.700111.3F161 R162 P311 L312 Q317 G318 H321F161-E315 HydrophobicContact CB-CG 4.43Å; R162-E315 WeakPolarHBondContact CD-OE1 3.42Å; R162-E315 WeakPolarHBondContact CG-OE1 3.21Å; R162-E315 IonicContact CZ-OE1 3.2Å; R162-E315 IonicContact CZ-OE2 3.54Å; R162-E315 IonicContact NE-OE1 3.31Å; R162-E315 PolarHBondContact NE-OE1 3.13Å; R162-E315 IonicContact NE-OE2 2.78Å; R162-E315 PolarHBondContact NE-OE2 3.35Å; R162-E315 IonicContact NH2-OE1 3.37Å; R162-E315 IonicContact NH2-OE2 3.72Å; R162-E315 PolarHBondContact NH2-OE2 3.39Å; P311-E315 VanDerWaalsContact CA-OE2 3.31Å; P311-E315 WeakPolarHBondContact CA-OE2 3.26Å; L312-E315 HydrophobicContact CB-CG 3.97Å; L312-E315 HydrophobicContact CG-CG 4.38Å; L312-E315 PolarHBondContact N-OE2 2.85Å; L312-E315 PolarHBondContact O-N 3.21Å; E315-Q317 PolarHBondContact O-N 2.84Å; E315-G318 WeakPolarHBondContact O-CA 3.5Å; E315-G318 PolarHBondContact O-N 2.85Å; E315-H321 WeakPolarHBondContact O-CB 3.42Å; E315-H321 VanDerWaalsContact O-CG 3.24Å; E315-H321 PolarHBondContact O-ND1 3.09Å
316P93.3Very high94.7Very high66 Ų6665.2 Ų65.243%0.42934%0.338SS..THydrogen-bonded Turntrans-53.2-28.6179.3-28.636.2000115.2F161F161-P316 HydrophobicContact CE2-CG 4.28Å
317Q93.3Very high94.5Very high140 Ų14064.3 Ų64.365%0.65434%0.336SS*.THydrogen-bonded Turntrans-93.8-2.2177.2-54.978.618.900113.4P311 E315P311-Q317 HydrophobicContact CB-CB 3.99Å; P311-Q317 HydrophobicContact CG-CB 3.7Å; E315-Q317 PolarHBondContact O-N 2.84Å
318G94.7Very high94.3Very high10 Ų1065.8 Ų65.810%0.10335%0.347CS..SBendtrans-71.4143.1179.700000112.5L312 E315 Y320 H321L312-G318 VanDerWaalsContact O-CA 3.28Å; L312-G318 WeakPolarHBondContact O-CA 3.38Å; E315-G318 WeakPolarHBondContact O-CA 3.5Å; E315-G318 PolarHBondContact O-N 2.85Å; G318-Y320 PolarHBondContact O-N 3.39Å; G318-Y320 VanDerWaalsContact O-N 3.13Å; G318-H321 WeakPolarHBondContact O-CB 3.46Å; G318-H321 PolarHBondContact O-N 3.48Å; G318-H321 VanDerWaalsContact O-N 3.11Å
319E94.1Very high94Very high153 Ų15363.5 Ų63.572%0.71534%0.344SS*.THydrogen-bonded Turntrans-53.7-36.1-179.3-173-176.5154.100112.7
320Y95.7Very high93.7Very high28 Ų2858.9 Ų58.911%0.1131%0.313CS..THydrogen-bonded Turntrans-104.413.3-175.8-53.5-63.2000114L107 A109 N110 T120 D313 G318 Q322 M323 T324L107-Y320 HydrophobicContact CD2-CD2 4.16Å; L107-Y320 HydrophobicContact CD2-CG 3.85Å; A109-Y320 HydrophobicContact CB-CD1 4.44Å; A109-Y320 HydrophobicContact CB-CE1 4.27Å; N110-Y320 HydrophobicContact CB-CD1 4.46Å; N110-Y320 HydrophobicContact CB-CD2 4.26Å; N110-Y320 HydrophobicContact CB-CE1 3.99Å; N110-Y320 HydrophobicContact CB-CE2 3.73Å; T120-Y320 HydrophobicContact CG2-CD2 4.16Å; T120-Y320 HydrophobicContact CG2-CE2 3.55Å; D313-Y320 HydrophobicContact CB-CD2 4.2Å; D313-Y320 CarbonylContact O-C 3.58Å; D313-Y320 VanDerWaalsContact O-C 3.24Å; G318-Y320 PolarHBondContact O-N 3.39Å; G318-Y320 VanDerWaalsContact O-N 3.13Å; Y320-Q322 VanDerWaalsContact C-N 3.28Å; Y320-Q322 PolarHBondContact O-N 2.69Å; Y320-M323 HydrophobicContact CD1-SD 4.47Å; Y320-M323 WeakPolarHBondContact O-CB 3.21Å; Y320-M323 PolarHBondContact O-N 3.12Å; Y320-T324 PolarHBondContact O-N 2.99Å
321H95Very high93.3Very high33 Ų3358.1 Ų58.115%0.15331%0.311CS..Hα-helixtrans-51.8-46.9-174.1-177.954.9000112.9D313 W314 E315 G318 M323 T324 M325D313-H321 PolarHBondContact O-N 2.86Å; W314-H321 PolarHBondContact O-ND1 3.49Å; E315-H321 WeakPolarHBondContact O-CB 3.42Å; E315-H321 VanDerWaalsContact O-CG 3.24Å; E315-H321 PolarHBondContact O-ND1 3.09Å; G318-H321 WeakPolarHBondContact O-CB 3.46Å; G318-H321 PolarHBondContact O-N 3.48Å; G318-H321 VanDerWaalsContact O-N 3.11Å; H321-M323 PolarHBondContact O-N 3.07Å; H321-T324 WeakPolarHBondContact CA-OG1 3.07Å; H321-T324 PolarHBondContact O-N 3.24Å; H321-T324 PolarHBondContact O-OG1 3.17Å; H321-M325 WeakPolarHBondContact O-CG 3.39Å; H321-M325 PolarHBondContact O-N 3.1Å
322Q94.3Very high92.8Very high139 Ų13956 Ų5665%0.6530%0.296SS*.Hα-helixtrans-56-38.8-179.5-68.5-63-28.200112.5Y320Y320-Q322 VanDerWaalsContact C-N 3.28Å; Y320-Q322 PolarHBondContact O-N 2.69Å
323M94.4Very high92.1Very high51 Ų5157.4 Ų57.425%0.25130%0.303SS..Hα-helixtrans-71.3-44.5176.3-62.8-170.3149.500111.2S106 T108 A109 Y320 H321 M325 M326S106-M323 WeakPolarHBondContact CB-O 2.78Å; S106-M323 WeakPolarHBondContact O-CB 3.41Å; T108-M323 VanDerWaalsContact OG1-CE 3.23Å; T108-M323 WeakPolarHBondContact OG1-CE 3.48Å; A109-M323 HydrophobicContact CB-CE 3.36Å; A109-M323 HydrophobicContact CB-SD 3.6Å; A109-M323 PolarHBondContact N-SD 2.75Å; Y320-M323 HydrophobicContact CD1-SD 4.47Å; Y320-M323 WeakPolarHBondContact O-CB 3.21Å; Y320-M323 PolarHBondContact O-N 3.12Å; H321-M323 PolarHBondContact O-N 3.07Å; M323-M325 PolarHBondContact O-N 3.04Å; M323-M326 VanDerWaalsContact O-CB 3.27Å; M323-M326 WeakPolarHBondContact O-CB 3.3Å; M323-M326 PolarHBondContact O-N 2.99Å
324T93.8Very high90.6Very high10 Ų1059.7 Ų59.76%0.06132%0.318CS..Hα-helixtrans-65.8-24.2-178.364.80000113.8L103 S106 L107 W314 Y320 H321 M326 A327L103-T324 HydrophobicContact CD2-CG2 4.05Å; S106-T324 WeakPolarHBondContact OG-CA 3.35Å; L107-T324 HydrophobicContact CD2-CG2 3.74Å; L107-T324 HydrophobicContact CG-CG2 4.48Å; W314-T324 WeakPolarHBondContact CA-OG1 3.2Å; W314-T324 HydrophobicContact CB-CG2 3.91Å; Y320-T324 PolarHBondContact O-N 2.99Å; H321-T324 WeakPolarHBondContact CA-OG1 3.07Å; H321-T324 PolarHBondContact O-N 3.24Å; H321-T324 PolarHBondContact O-OG1 3.17Å; T324-M326 PolarHBondContact O-N 2.84Å; T324-A327 WeakPolarHBondContact O-CB 3.38Å; T324-A327 PolarHBondContact O-N 2.84Å
325M92.4Very high88.8Confident111 Ų11161.4 Ų61.455%0.54734%0.338SS..THydrogen-bonded Turntrans-63.7-22.2171-69-163.4-59.900113H321 M323 A327H321-M325 WeakPolarHBondContact O-CG 3.39Å; H321-M325 PolarHBondContact O-N 3.1Å; M323-M325 PolarHBondContact O-N 3.04Å; M325-A327 VanDerWaalsContact C-N 3.28Å
326M91.7Very high86.5Confident156 Ų15661.9 Ų61.977%0.76835%0.347SS*.THydrogen-bonded Turntrans-79.9-11.5175.2-52.9-175.874.700112.5M323 T324M323-M326 VanDerWaalsContact O-CB 3.27Å; M323-M326 WeakPolarHBondContact O-CB 3.3Å; M323-M326 PolarHBondContact O-N 2.99Å; T324-M326 PolarHBondContact O-N 2.84Å
327A93.3Very high83.4Confident14 Ų1464.5 Ų64.512%0.11636%0.364CS..SBendtrans-67124.2176.300000109.5A98 S102 L103 T324 M325A98-A327 HydrophobicContact CB-CB 3.84Å; S102-A327 WeakPolarHBondContact O-CB 3.14Å; L103-A327 HydrophobicContact CD2-CB 3.95Å; L103-A327 HydrophobicContact CG-CB 4.48Å; T324-A327 WeakPolarHBondContact O-CB 3.38Å; T324-A327 PolarHBondContact O-N 2.84Å; M325-A327 VanDerWaalsContact C-N 3.28Å
328P90.9Very high80.4Confident88 Ų8862 Ų6257%0.57137%0.368SS*.PPolyproline II helixtrans-62143.1176.726.1-34.7000110.3A98A98-P328 WeakPolarHBondContact CB-O 3.36Å
329A85.2Confident77.1Confident65 Ų6566.3 Ų66.354%0.53740%0.396SS..BIsolated β-bridgetrans-58.5147.7170.300000110.4N331A329-N331 PolarHBondContact O-N 3.47Å
330H88.9Confident73.9Confident22 Ų2270.3 Ų70.310%0.10242%0.415CS..PPolyproline II helixtrans-64.8131178-169-67.2000110.3V96 G97 S99 Q151 A154 L167 M332V96-H330 HydrophobicContact CG2-CB 4.11Å; G97-H330 VanDerWaalsContact O-CB 3.24Å; G97-H330 WeakPolarHBondContact O-CB 3.49Å; G97-H330 PolarHBondContact O-N 3.32Å; S99-H330 VanDerWaalsContact CB-CD2 3.49Å; S99-H330 WeakPolarHBondContact CB-CD2 3.43Å; Q151-H330 PolarHBondContact O-CD2 3.42Å; Q151-H330 PolarHBondContact O-NE2 3.47Å; A154-H330 HydrophobicContact CB-CB 4.3Å; L167-H330 VanDerWaalsContact CD1-CD2 3.46Å; L167-H330 WeakPolarHBondContact CD1-CD2 3.45Å; L167-H330 WeakPolarHBondContact CD1-NE2 3.42Å; H330-M332 VanDerWaalsContact C-N 3.33Å; H330-M332 VanDerWaalsContact CE1-CA 3.49Å; H330-M332 WeakPolarHBondContact CE1-CA 3.38Å; H330-M332 PolarHBondContact CE1-N 2.83Å; H330-M332 VanDerWaalsContact ND1-CA 3.27Å; H330-M332 WeakPolarHBondContact ND1-CA 3.49Å; H330-M332 PolarHBondContact ND1-N 3.47Å; H330-M332 PolarHBondContact O-N 2.96Å
331N86.3Confident72.8Confident51 Ų5172.4 Ų72.427%0.27343%0.43SS..  trans-79.1-14.1-176.968.67.5000114.4L24 V32 A329 M333L24-N331 WeakPolarHBondContact O-CB 3.4Å; V32-N331 WeakPolarHBondContact CB-O 3.28Å; V32-N331 WeakPolarHBondContact CG2-O 3.42Å; A329-N331 PolarHBondContact O-N 3.47Å; N331-M333 PolarHBondContact O-N 3.32Å; N331-M333 VanDerWaalsContact O-N 3.08Å; N331-M333 PolarHBondContact OD1-N 3.47Å; N331-M333 VanDerWaalsContact OD1-N 3.16Å
332M86.3Confident71.6Confident12 Ų1274.5 Ų74.56%0.05945%0.445CS..  trans58.916.8178.3-51.4-176.973.500114.6V32 A45 M93 L95 V96 L167 H330V32-M332 HydrophobicContact CG1-CB 4.1Å; V32-M332 HydrophobicContact CG2-CB 4.26Å; A45-M332 HydrophobicContact CB-CE 4.15Å; A45-M332 HydrophobicContact CB-SD 3.39Å; A45-M332 WeakPolarHBondContact CB-SD 3.42Å; M93-M332 HydrophobicContact CE-CE 4.13Å; M93-M332 HydrophobicContact CG-CE 4.1Å; M93-M332 HydrophobicContact SD-CE 3.81Å; L95-M332 HydrophobicContact CD1-SD 4.32Å; V96-M332 HydrophobicContact CG2-CE 4.27Å; V96-M332 HydrophobicContact CG2-CG 4.13Å; V96-M332 HydrophobicContact CG2-SD 3.96Å; L167-M332 HydrophobicContact CD2-CE 4.32Å; H330-M332 VanDerWaalsContact C-N 3.33Å; H330-M332 VanDerWaalsContact CE1-CA 3.49Å; H330-M332 WeakPolarHBondContact CE1-CA 3.38Å; H330-M332 PolarHBondContact CE1-N 2.83Å; H330-M332 VanDerWaalsContact ND1-CA 3.27Å; H330-M332 WeakPolarHBondContact ND1-CA 3.49Å; H330-M332 PolarHBondContact ND1-N 3.47Å; H330-M332 PolarHBondContact O-N 2.96Å
333M81.7Confident70.4Confident29 Ų2970.9 Ų70.914%0.14343%0.433CS..  trans-75.6145.9170.8-71.4-67-66.800109.9V32 N331 G335V32-M333 HydrophobicContact CG2-CG 4.21Å; V32-M333 HydrophobicContact CG2-SD 3.74Å; N331-M333 PolarHBondContact O-N 3.32Å; N331-M333 VanDerWaalsContact O-N 3.08Å; N331-M333 PolarHBondContact OD1-N 3.47Å; N331-M333 VanDerWaalsContact OD1-N 3.16Å; M333-G335 PolarHBondContact O-N 3.04Å
334P67.2Low68.9Low52 Ų5272.1 Ų72.134%0.33844%0.444SS..THydrogen-bonded Turntrans-58.9138.8171.5-14.926.1000110.7D168D168-P334 WeakPolarHBondContact OD2-CA 3.15Å
335G57.8Low67.4Low44 Ų4475.9 Ų75.945%0.45447%0.468SS..THydrogen-bonded Turntrans58.651.617000000114.6D168 M333D168-G335 PolarHBondContact OD2-N 2.78Å; M333-G335 PolarHBondContact O-N 3.04Å
336G45.9Very low65.7Low25 Ų2573.6 Ų73.626%0.25846%0.463SS..  trans-39.7150.8174.600000112.9A338G336-A338 PolarHBondContact O-N 3.36Å
337P29.2Very low63.9Low121 Ų12167.7 Ų67.779%0.78644%0.441SS*.SBendtrans-39.9107.8-153.718.8-32.4000110.2S339P337-S339 PolarHBondContact O-N 3.27Å
338A28.6Very low61.6Low88 Ų8871.8 Ų71.873%0.72747%0.466SS*.  trans-53.3111.7179.100000106.9G336 E340G336-A338 PolarHBondContact O-N 3.36Å; A338-E340 PolarHBondContact O-N 3.13Å
339S26.8Very low59.2Low100 Ų10070.5 Ų70.570%0.69946%0.457SS*.  trans-59.6110.8159.153.30000105.4P337P337-S339 PolarHBondContact O-N 3.27Å
340E26Very low56.8Low237 Ų23771 Ų71100%1.10745%0.45SS*.  trans-46.80170.9-69-173.7148.800113.1A338A338-E340 PolarHBondContact O-N 3.13Å

Retrieved 340 of 340 residues in 183.3 ms (Link to these results)

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