A0A093H844_STRCA Loading...

Phosphoribosyl pyrophosphate synthase-associated protein 2

Seems to play a negative regulatory role in 5-phosphoribose 1-diphosphate synthesis.

AlphaFold DB , UniProt , Accession A0A093H844, Species STRCA (Struthio camelus australis), Gene n/a, Length 369 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
1M32Very low33.4Very low240 Ų240147.7 Ų147.7100%1.18286%0.855SS**  084.40-172.4177.9-9400107.6
2F30.5Very low34.1Very low201 Ų201148 Ų14888%0.88285%0.848SS**  trans-94.9116.1174.4-81.6-83000107.5M4F2-M4 PolarHBondContact O-N 3.16Å; F2-M4 VanDerWaalsContact O-N 3.15Å
3C27Very low34.9Very low133 Ų133141.8 Ų141.890%0.89981%0.809SS**  trans-74.299.8173.4-149.60000107.5
4M32.6Very low35Very low160 Ų160142.6 Ų142.679%0.78881%0.81SS**  trans-70.9133.7168.2-74.3-91.1167.700108.3F2 S6F2-M4 PolarHBondContact O-N 3.16Å; F2-M4 VanDerWaalsContact O-N 3.15Å; M4-S6 PolarHBondContact O-N 2.88Å; M4-S6 VanDerWaalsContact O-N 3.17Å
5P30.9Very low35.6Very low117 Ų117144.4 Ų144.476%0.7681%0.813SS**  trans-69.2114165.429.1-30.4000108.4T7P5-T7 PolarHBondContact O-N 2.8Å
6S38.9Very low36.1Very low110 Ų110138.4 Ų138.477%0.76978%0.781SS**  trans-78.8105.2170.650.60000110.4M4M4-S6 PolarHBondContact O-N 2.88Å; M4-S6 VanDerWaalsContact O-N 3.17Å
7T34.6Very low36.6Very low124 Ų124143.9 Ų143.976%0.76179%0.794SS**  trans175.4126.8165.733.20000106.9P5P5-T7 PolarHBondContact O-N 2.8Å
8E30.6Very low37.7Very low187 Ų187137.4 Ų137.487%0.87477%0.766SS**  cis-1461387.4-80.8170.9146.200107.7
9I42.3Very low40.1Very low184 Ų184131.7 Ų131.794%0.94474%0.742SS**  trans-82.2121.6165.2-65.3167.6000106.4
10G32.9Very low42.7Very low74 Ų74127 Ų12776%0.76371%0.714SS**  trans11961.4165.500000116.1
11A34.8Very low45.3Very low95 Ų95121.3 Ų121.379%0.78568%0.682SS**  trans-114.691.1150.300000107.7M13A11-M13 PolarHBondContact O-N 2.97Å; A11-M13 VanDerWaalsContact O-N 3.16Å
12I42.6Very low48.4Very low151 Ų151109.9 Ų109.977%0.77463%0.626SS**  trans-51.3121.9158.3-64.8171.4000105.1N14I12-N14 PolarHBondContact O-N 3Å
13M43.8Very low51.6Low68 Ų68100.3 Ų100.334%0.33558%0.584SS.*  trans-51.3113.3-178.1-78.3-159.3-165.900108.7A11 I15 L42 R350A11-M13 PolarHBondContact O-N 2.97Å; A11-M13 VanDerWaalsContact O-N 3.16Å; M13-I15 PolarHBondContact O-N 3.07Å; M13-L42 HydrophobicContact CE-CB 4.34Å; M13-L42 HydrophobicContact CE-CD2 3.57Å; M13-R350 HydrophobicContact CE-CG 3.8Å
14N36.3Very low55Low153 Ų15394.1 Ų94.182%0.81854%0.542SS*.  trans-53.9115167.4-98.3-30.2000106.7I12 T16I12-N14 PolarHBondContact O-N 3Å; N14-T16 PolarHBondContact O-N 2.77Å
15I44.6Very low58.1Low169 Ų16986.5 Ų86.587%0.86751%0.505SS*.  trans-38.6100.7175.7-64.7166000108.2M13M13-I15 PolarHBondContact O-N 3.07Å
16T43.8Very low61.1Low48 Ų4881.1 Ų81.129%0.29447%0.47SS..  trans-65.6146.1-172.446.90000109.7N14 G18 H353N14-T16 PolarHBondContact O-N 2.77Å; T16-G18 CarbonylContact O-C 3.38Å; T16-G18 PolarHBondContact O-N 3.38Å; T16-G18 PolarHBondContact OG1-O 3.05Å; T16-G18 VanDerWaalsContact OG1-O 3.06Å; T16-H353 PolarHBondContact OG1-NE2 2.77Å
17K43.4Very low63.4Low232 Ų23278.1 Ų78.1100%1.00945%0.448SS*.SBendtrans-57.48.3-179.7-97.9177.7172.1177.40116.7
18G57.5Low66Low27 Ų2776.1 Ų76.128%0.27843%0.433SS..SBendtrans-144.5125.116100000106.2T16 L20 H353T16-G18 CarbonylContact O-C 3.38Å; T16-G18 PolarHBondContact O-N 3.38Å; T16-G18 PolarHBondContact OG1-O 3.05Å; T16-G18 VanDerWaalsContact OG1-O 3.06Å; G18-L20 PolarHBondContact O-N 3.24Å; G18-H353 PolarHBondContact O-CE1 3.16Å; G18-H353 VanDerWaalsContact O-CE1 3.31Å
19G82.7Confident68.8Low30 Ų3071.2 Ų71.231%0.30942%0.42SS..  trans-67.4122-171.100000111.5K70 D71G19-K70 WeakPolarHBondContact O-CA 3.46Å; G19-K70 VanDerWaalsContact O-CB 3.24Å; G19-K70 WeakPolarHBondContact O-CB 3.24Å; G19-D71 PolarHBondContact O-N 3.49Å; G19-D71 VanDerWaalsContact O-N 3.09Å
20L92.4Very high71Confident36 Ų3665.9 Ų65.919%0.18840%0.399CS..EExtended strand (participates in β ladder)trans-79.2137.8166.5175144000109.1G18 L22 V44 D71 F73 I349 H353G18-L20 PolarHBondContact O-N 3.24Å; L20-L22 HydrophobicContact CD2-CD2 3.78Å; L20-L22 HydrophobicContact CD2-CG 3.83Å; L20-L22 HydrophobicContact CG-CD2 4.37Å; L20-V44 HydrophobicContact CD2-CG1 4.34Å; L20-V44 HydrophobicContact CD2-CG2 4.24Å; L20-D71 WeakPolarHBondContact CA-O 3.32Å; L20-F73 HydrophobicContact CD1-CD2 4.01Å; L20-F73 HydrophobicContact CD1-CE2 3.67Å; L20-F73 HydrophobicContact CG-CD2 4.08Å; L20-F73 HydrophobicContact CG-CE2 4.09Å; L20-I349 HydrophobicContact CD1-CG2 3.98Å; L20-H353 HydrophobicContact CD1-CB 3.96Å
21V96.8Very high73.8Confident8 Ų862.7 Ų62.75%0.04837%0.365CS..EExtended strand (participates in β ladder)trans-132.3131.4172.2-174.90000109.5F23 K70 D71 F73V21-F23 HydrophobicContact CB-CE2 4.39Å; V21-F23 HydrophobicContact CG1-CD2 4.05Å; V21-F23 HydrophobicContact CG1-CE1 4.05Å; V21-F23 HydrophobicContact CG1-CE2 3.48Å; V21-F23 VanDerWaalsContact CG1-CE2 3.48Å; V21-F23 HydrophobicContact CG1-CZ 3.48Å; V21-F23 VanDerWaalsContact CG1-CZ 3.48Å; V21-K70 HydrophobicContact CG2-CB 4.23Å; V21-K70 HydrophobicContact CG2-CD 3.31Å; V21-K70 HydrophobicContact CG2-CG 4.41Å; V21-D71 PolarHBondContact N-O 3.44Å; V21-F73 PolarHBondContact O-N 2.75Å
22L97.8Very high76.6Confident1 Ų160.8 Ų60.81%0.00534%0.34CS..EExtended strand (participates in β ladder)trans-104.6127.4173.4-55.3-174.7000109.6L20 I38 A39 L42 V44 M46 G47 F73 I349L20-L22 HydrophobicContact CD2-CD2 3.78Å; L20-L22 HydrophobicContact CD2-CG 3.83Å; L20-L22 HydrophobicContact CG-CD2 4.37Å; L22-I38 HydrophobicContact CD1-CG2 4.44Å; L22-A39 HydrophobicContact CD1-CB 4.01Å; L22-L42 HydrophobicContact CD1-CD1 3.77Å; L22-L42 HydrophobicContact CD2-CD1 4.43Å; L22-V44 HydrophobicContact CD1-CG2 3.38Å; L22-V44 HydrophobicContact CG-CG2 3.95Å; L22-M46 HydrophobicContact CB-SD 3.93Å; L22-G47 WeakPolarHBondContact O-CA 3.38Å; L22-G47 PolarHBondContact O-N 3.26Å; L22-F73 CarbonylContact C-O 3.57Å; L22-F73 WeakPolarHBondContact CA-O 3.07Å; L22-F73 HydrophobicContact CD2-CB 3.64Å; L22-F73 HydrophobicContact CD2-CD2 4.17Å; L22-F73 HydrophobicContact CD2-CG 4.13Å; L22-I349 HydrophobicContact CD2-CG2 4.26Å
23F98.3Very high79.2Confident0 Ų057.2 Ų57.20%032%0.32CS..EExtended strand (participates in β ladder)trans-116.9152.5167.3-66.7-66.1000110.6V21 G47 V49 I63 E65 V67 V72 F73 I75 M92V21-F23 HydrophobicContact CB-CE2 4.39Å; V21-F23 HydrophobicContact CG1-CD2 4.05Å; V21-F23 HydrophobicContact CG1-CE1 4.05Å; V21-F23 HydrophobicContact CG1-CE2 3.48Å; V21-F23 VanDerWaalsContact CG1-CE2 3.48Å; V21-F23 HydrophobicContact CG1-CZ 3.48Å; V21-F23 VanDerWaalsContact CG1-CZ 3.48Å; F23-G47 VanDerWaalsContact CE1-C 3.49Å; F23-V49 HydrophobicContact CD1-CB 3.91Å; F23-V49 HydrophobicContact CD1-CG1 3.99Å; F23-V49 HydrophobicContact CE1-CB 4.28Å; F23-I63 HydrophobicContact CE1-CG2 4.13Å; F23-I63 HydrophobicContact CE2-CG2 4.32Å; F23-I63 HydrophobicContact CZ-CG2 3.65Å; F23-E65 HydrophobicContact CE1-CG 4.17Å; F23-E65 HydrophobicContact CZ-CG 3.91Å; F23-V67 HydrophobicContact CE2-CG1 3.56Å; F23-V67 HydrophobicContact CZ-CG1 3.7Å; F23-V72 HydrophobicContact CD2-CG1 3.59Å; F23-V72 HydrophobicContact CE2-CG1 3.82Å; F23-F73 PolarHBondContact N-O 2.88Å; F23-I75 PolarHBondContact O-N 3.19Å; F23-M92 HydrophobicContact CB-SD 3.71Å; F23-M92 HydrophobicContact CG-SD 4.42Å
24S97.9Very high81.7Confident3 Ų354.3 Ų54.32%0.02131%0.306CS..EExtended strand (participates in β ladder)trans-104.6124.1164.6-177.80000107.5N26 S35 M46 I75S24-N26 VanDerWaalsContact C-N 3.3Å; S24-S35 WeakPolarHBondContact CB-OG 3.24Å; S24-S35 PolarHBondContact OG-OG 3.03Å; S24-M46 VanDerWaalsContact N-CE 3.32Å; S24-I75 WeakPolarHBondContact CA-O 3.42Å
25A96.3Very high84.6Confident0 Ų047 Ų470%027%0.267CS..  trans-83.1-8.1175.300000113.5V51 I74 I75 Q76 E88 M92A25-V51 WeakPolarHBondContact O-CG1 3.31Å; A25-I74 HydrophobicContact CB-CG2 3.72Å; A25-I75 PolarHBondContact N-O 2.83Å; A25-Q76 HydrophobicContact CB-CB 4.42Å; A25-Q76 VanDerWaalsContact CB-CD 3.49Å; A25-Q76 HydrophobicContact CB-CG 4.44Å; A25-Q76 VanDerWaalsContact CB-OE1 3.22Å; A25-E88 WeakPolarHBondContact O-CB 3.48Å; A25-M92 VanDerWaalsContact CA-CE 3.46Å; A25-M92 HydrophobicContact CB-CB 4.43Å; A25-M92 HydrophobicContact CB-CE 3.79Å; A25-M92 HydrophobicContact CB-SD 3.74Å
26N94.8Very high87.1Confident4 Ų443.5 Ų43.52%0.02125%0.245CC..  trans-72.8137.8179-65.6115.3000112.8S24 C31 M32 Q76 T77S24-N26 VanDerWaalsContact C-N 3.3Å; N26-C31 HydrophobicContact CB-CB 3.61Å; N26-C31 PolarHBondContact OD1-O 2.92Å; N26-M32 HydrophobicContact CB-CG 4.23Å; N26-Q76 PolarHBondContact ND2-OE1 2.72Å; N26-Q76 VanDerWaalsContact ND2-OE1 3.11Å; N26-Q76 PolarHBondContact OD1-OE1 2.83Å; N26-T77 PolarHBondContact ND2-O 2.76Å; N26-T77 PolarHBondContact OD1-N 2.76Å; N26-T77 PolarHBondContact OD1-OG1 2.81Å; N26-T77 VanDerWaalsContact OD1-OG1 3.07Å
27S87.8Confident89.6Confident46 Ų4645 Ų4532%0.32225%0.246SC..SBendtrans-87-18.3174.152.50000114.7V51 E88S27-V51 WeakPolarHBondContact CB-O 3.45Å; S27-E88 WeakPolarHBondContact CB-OE1 3.33Å; S27-E88 PolarHBondContact OG-OE1 3.46Å
28N89.1Confident92.2Very high83 Ų8334 Ų3444%0.44420%0.198SC..SBendtrans-102.2136.6-178-54.994.8000112.3S30 C31 M32N28-S30 VanDerWaalsContact C-N 3.32Å; N28-S30 PolarHBondContact O-N 3.49Å; N28-C31 WeakPolarHBondContact O-CB 3.35Å; N28-C31 PolarHBondContact O-N 3.31Å; N28-M32 WeakPolarHBondContact O-CG 3.47Å; N28-M32 PolarHBondContact O-N 3.47Å
29S88.6Confident94.1Very high84 Ų8432.9 Ų32.959%0.58719%0.186SC*.G310 helixtrans-55.1-40.6-178.6-175.50000113.9C31 M32S29-C31 PolarHBondContact O-N 2.87Å; S29-M32 WeakPolarHBondContact O-CB 3.5Å; S29-M32 PolarHBondContact O-N 3.17Å; S29-M32 VanDerWaalsContact O-N 3.08Å
30S89.4Confident94.7Very high72 Ų7238.7 Ų38.750%0.50321%0.205SC..G310 helixtrans-62.4-31.7178.956.70000112.8N28 M32N28-S30 VanDerWaalsContact C-N 3.32Å; N28-S30 PolarHBondContact O-N 3.49Å; S30-M32 VanDerWaalsContact C-N 3.32Å
31C91.3Very high94.8Very high7 Ų742.6 Ų42.65%0.04722%0.217CC..G310 helixtrans-81.3-13.4179.3-59.10000112.8N26 N28 S29 T77 P325N26-C31 HydrophobicContact CB-CB 3.61Å; N26-C31 PolarHBondContact OD1-O 2.92Å; N28-C31 WeakPolarHBondContact O-CB 3.35Å; N28-C31 PolarHBondContact O-N 3.31Å; S29-C31 PolarHBondContact O-N 2.87Å; C31-T77 WeakPolarHBondContact CB-OG1 3.31Å; C31-T77 PolarHBondContact O-OG1 3.25Å; C31-P325 HydrophobicContact CB-CG 4.1Å
32M94.1Very high94.7Very high55 Ų5542.6 Ų42.627%0.27122%0.217SC..G310 helixtrans-88.8-4176.2-57.9178.17800113.4N26 N28 S29 S30 L34 S35 K36N26-M32 HydrophobicContact CB-CG 4.23Å; N28-M32 WeakPolarHBondContact O-CG 3.47Å; N28-M32 PolarHBondContact O-N 3.47Å; S29-M32 WeakPolarHBondContact O-CB 3.5Å; S29-M32 PolarHBondContact O-N 3.17Å; S29-M32 VanDerWaalsContact O-N 3.08Å; S30-M32 VanDerWaalsContact C-N 3.32Å; M32-L34 PolarHBondContact O-N 2.81Å; M32-S35 PolarHBondContact O-N 3.28Å; M32-S35 PolarHBondContact O-OG 3.31Å; M32-K36 WeakPolarHBondContact O-CG 3.49Å; M32-K36 PolarHBondContact O-N 3.38Å
33E96Very high94.5Very high76 Ų7645 Ų4536%0.35524%0.242SC..Hα-helixtrans-61.7-44.7-175.1-179.858.3-162.300111.9S35 K36 R37E33-S35 PolarHBondContact O-N 3.06Å; E33-K36 PolarHBondContact O-N 3.49Å; E33-R37 WeakPolarHBondContact O-CG 3.37Å; E33-R37 PolarHBondContact O-N 2.9Å; E33-R37 VanDerWaalsContact O-N 3.09Å; E33-R37 IonicContact OE1-CZ 2.97Å; E33-R37 IonicContact OE1-NE 3.07Å; E33-R37 PolarHBondContact OE1-NE 3Å; E33-R37 IonicContact OE1-NH2 3.83Å; E33-R37 PolarHBondContact OE1-NH2 3.2Å
34L97.2Very high94.3Very high6 Ų647 Ų473%0.03126%0.255CS..Hα-helixtrans-65.9-38.9179-178.762.7000112.2M32 R37 I38 T77 P109 I341 L345M32-L34 PolarHBondContact O-N 2.81Å; L34-R37 PolarHBondContact O-N 3.05Å; L34-I38 HydrophobicContact CD1-CD1 4.26Å; L34-I38 HydrophobicContact CD1-CG1 4.45Å; L34-I38 HydrophobicContact CG-CD1 3.96Å; L34-I38 VanDerWaalsContact O-CG1 3.29Å; L34-I38 WeakPolarHBondContact O-CG1 3.48Å; L34-I38 PolarHBondContact O-N 3.03Å; L34-T77 HydrophobicContact CB-CG2 4.07Å; L34-T77 HydrophobicContact CD2-CG2 3.87Å; L34-P109 HydrophobicContact CD2-CB 4.22Å; L34-P109 HydrophobicContact CD2-CG 3.54Å; L34-I341 HydrophobicContact CD1-CD1 3.85Å; L34-I341 HydrophobicContact CD2-CD1 4.12Å; L34-L345 HydrophobicContact CD1-CD1 4.29Å; L34-L345 HydrophobicContact CD2-CD1 3.87Å; L34-L345 HydrophobicContact CG-CD1 4.35Å
35S97.3Very high94.2Very high0 Ų055.3 Ų55.30%029%0.293CS..Hα-helixtrans-66.9-38.2179600000111.8S24 M32 E33 I38 A39S24-S35 WeakPolarHBondContact CB-OG 3.24Å; S24-S35 PolarHBondContact OG-OG 3.03Å; M32-S35 PolarHBondContact O-N 3.28Å; M32-S35 PolarHBondContact O-OG 3.31Å; E33-S35 PolarHBondContact O-N 3.06Å; S35-I38 PolarHBondContact O-N 3.09Å; S35-A39 WeakPolarHBondContact O-CB 3.44Å; S35-A39 PolarHBondContact O-N 2.89Å
36K96.8Very high94.2Very high95 Ų9557.7 Ų57.741%0.41331%0.305SS..Hα-helixtrans-60.9-47172.1-71.4173.2-176.7172.70112.4M32 E33 I38 A39 E40M32-K36 WeakPolarHBondContact O-CG 3.49Å; M32-K36 PolarHBondContact O-N 3.38Å; E33-K36 PolarHBondContact O-N 3.49Å; K36-I38 VanDerWaalsContact C-N 3.33Å; K36-I38 PolarHBondContact O-N 3.07Å; K36-A39 PolarHBondContact O-N 3.43Å; K36-E40 PolarHBondContact O-N 3.09Å
37R97.2Very high94.2Very high80 Ų8058 Ų5830%0.30231%0.309SS..Hα-helixtrans-62.3-39.8177.8-69.4-178.8-172.3-159.90.7112.6E33 L34 E40 R41 D340E33-R37 WeakPolarHBondContact O-CG 3.37Å; E33-R37 PolarHBondContact O-N 2.9Å; E33-R37 VanDerWaalsContact O-N 3.09Å; E33-R37 IonicContact OE1-CZ 2.97Å; E33-R37 IonicContact OE1-NE 3.07Å; E33-R37 PolarHBondContact OE1-NE 3Å; E33-R37 IonicContact OE1-NH2 3.83Å; E33-R37 PolarHBondContact OE1-NH2 3.2Å; L34-R37 PolarHBondContact O-N 3.05Å; R37-E40 PolarHBondContact O-N 3.36Å; R37-R41 WeakPolarHBondContact O-CG 3.46Å; R37-R41 PolarHBondContact O-N 3.05Å; R37-D340 IonicContact NH1-OD1 3.95Å
38I97.6Very high94.6Very high0 Ų062.3 Ų62.30%032%0.322CS..Hα-helixtrans-62.7-44.8175.2-70.9166.3000110.5L22 L34 S35 K36 R41 L42 I75 L345 I349L22-I38 HydrophobicContact CD1-CG2 4.44Å; L34-I38 HydrophobicContact CD1-CD1 4.26Å; L34-I38 HydrophobicContact CD1-CG1 4.45Å; L34-I38 HydrophobicContact CG-CD1 3.96Å; L34-I38 VanDerWaalsContact O-CG1 3.29Å; L34-I38 WeakPolarHBondContact O-CG1 3.48Å; L34-I38 PolarHBondContact O-N 3.03Å; S35-I38 PolarHBondContact O-N 3.09Å; K36-I38 VanDerWaalsContact C-N 3.33Å; K36-I38 PolarHBondContact O-N 3.07Å; I38-R41 PolarHBondContact O-N 3.46Å; I38-L42 HydrophobicContact CG2-CD1 3.86Å; I38-L42 WeakPolarHBondContact O-CB 3.48Å; I38-L42 WeakPolarHBondContact O-CG 3.43Å; I38-L42 PolarHBondContact O-N 2.87Å; I38-I75 HydrophobicContact CB-CD1 4.13Å; I38-I75 HydrophobicContact CD1-CD1 4.02Å; I38-I75 HydrophobicContact CD1-CG2 4.33Å; I38-I75 HydrophobicContact CG2-CD1 3.92Å; I38-L345 HydrophobicContact CD1-CB 3.76Å; I38-L345 HydrophobicContact CD1-CD1 3.78Å; I38-L345 HydrophobicContact CD1-CG 4.44Å; I38-L345 HydrophobicContact CG1-CB 4.14Å; I38-I349 HydrophobicContact CG2-CD1 3.54Å
39A96.4Very high95Very high4 Ų459.9 Ų59.93%0.03331%0.31CS..Hα-helixtrans-63.1-43.2178.200000112.3L22 S35 K36 R41 L42 G43 V44 M46L22-A39 HydrophobicContact CD1-CB 4.01Å; S35-A39 WeakPolarHBondContact O-CB 3.44Å; S35-A39 PolarHBondContact O-N 2.89Å; K36-A39 PolarHBondContact O-N 3.43Å; A39-R41 PolarHBondContact O-N 3.01Å; A39-L42 CarbonylContact O-C 3.55Å; A39-L42 PolarHBondContact O-N 3.4Å; A39-G43 PolarHBondContact O-N 2.85Å; A39-V44 CarbonylContact C-O 3.57Å; A39-V44 HydrophobicContact CB-CG2 4.41Å; A39-V44 WeakPolarHBondContact CB-O 3.44Å; A39-V44 PolarHBondContact O-N 3.12Å; A39-M46 HydrophobicContact CB-CG 3.92Å; A39-M46 HydrophobicContact CB-SD 3.66Å
40E96.3Very high95.3Very high152 Ų15260.1 Ų60.171%0.7130%0.302SS*.Hα-helixtrans-59-46.7175-176.3179.8-168.800111.7K36 R37 L42 G43K36-E40 PolarHBondContact O-N 3.09Å; R37-E40 PolarHBondContact O-N 3.36Å; E40-L42 VanDerWaalsContact C-N 3.29Å; E40-L42 PolarHBondContact O-N 3.39Å; E40-G43 PolarHBondContact O-N 2.91Å
41R94.4Very high95.7Very high118 Ų11857.7 Ų57.745%0.44528%0.284SS..Hα-helixtrans-64.3-33.1177.8-72.7-175.8-176.5-74.30.2113.4R37 I38 A39 G43 D340 S342R37-R41 WeakPolarHBondContact O-CG 3.46Å; R37-R41 PolarHBondContact O-N 3.05Å; I38-R41 PolarHBondContact O-N 3.46Å; A39-R41 PolarHBondContact O-N 3.01Å; R41-G43 VanDerWaalsContact C-N 3.3Å; R41-D340 IonicContact CZ-OD2 3.93Å; R41-D340 IonicContact NE-OD2 3.93Å; R41-D340 IonicContact NH2-OD2 3.12Å; R41-D340 PolarHBondContact NH2-OD2 2.95Å; R41-S342 PolarHBondContact NE-OG 3.45Å
42L93.8Very high95.9Very high8 Ų861.7 Ų61.74%0.04230%0.298CS..Hα-helixtrans-80.4-13.2175.8-70.6170.5000112.7M13 L22 I38 A39 E40 V44 S346 I349 R350M13-L42 HydrophobicContact CE-CB 4.34Å; M13-L42 HydrophobicContact CE-CD2 3.57Å; L22-L42 HydrophobicContact CD1-CD1 3.77Å; L22-L42 HydrophobicContact CD2-CD1 4.43Å; I38-L42 HydrophobicContact CG2-CD1 3.86Å; I38-L42 WeakPolarHBondContact O-CB 3.48Å; I38-L42 WeakPolarHBondContact O-CG 3.43Å; I38-L42 PolarHBondContact O-N 2.87Å; A39-L42 CarbonylContact O-C 3.55Å; A39-L42 PolarHBondContact O-N 3.4Å; E40-L42 VanDerWaalsContact C-N 3.29Å; E40-L42 PolarHBondContact O-N 3.39Å; L42-V44 VanDerWaalsContact C-N 3.32Å; L42-V44 HydrophobicContact CB-CG1 4.34Å; L42-V44 HydrophobicContact CB-CG2 3.89Å; L42-S346 WeakPolarHBondContact CD2-O 3.42Å; L42-I349 HydrophobicContact CD1-CB 4.27Å; L42-I349 HydrophobicContact CD1-CD1 4.37Å; L42-I349 HydrophobicContact CD1-CG2 3.79Å; L42-R350 HydrophobicContact CD2-CB 4.04Å
43G94.2Very high95.9Very high52 Ų5263.2 Ų63.254%0.53631%0.305SS..THydrogen-bonded Turntrans65.834.4-174.500000112.8A39 E40 R41A39-G43 PolarHBondContact O-N 2.85Å; E40-G43 PolarHBondContact O-N 2.91Å; R41-G43 VanDerWaalsContact C-N 3.3Å
44V94.1Very high95.9Very high43 Ų4362.5 Ų62.526%0.26130%0.301SS..  trans-124.2154.6-179.3-56.90000111.2L20 L22 A39 L42L20-V44 HydrophobicContact CD2-CG1 4.34Å; L20-V44 HydrophobicContact CD2-CG2 4.24Å; L22-V44 HydrophobicContact CD1-CG2 3.38Å; L22-V44 HydrophobicContact CG-CG2 3.95Å; A39-V44 CarbonylContact C-O 3.57Å; A39-V44 HydrophobicContact CB-CG2 4.41Å; A39-V44 WeakPolarHBondContact CB-O 3.44Å; A39-V44 PolarHBondContact O-N 3.12Å; L42-V44 VanDerWaalsContact C-N 3.32Å; L42-V44 HydrophobicContact CB-CG1 4.34Å; L42-V44 HydrophobicContact CB-CG2 3.89Å
45E95Very high95.9Very high176 Ų17668.4 Ų68.482%0.82234%0.341SS*.PPolyproline II helixtrans-82.8149.4172.4-65.9-170.7167.300111.4
46M96.4Very high95.8Very high51 Ų5173.1 Ų73.125%0.25137%0.366SS..BIsolated β-bridgetrans-69.7135.4169.5-69.3-64.5-66.900109.9L22 S24 A39L22-M46 HydrophobicContact CB-SD 3.93Å; S24-M46 VanDerWaalsContact N-CE 3.32Å; A39-M46 HydrophobicContact CB-CG 3.92Å; A39-M46 HydrophobicContact CB-SD 3.66Å
47G95.4Very high95.7Very high11 Ų1178.5 Ų78.511%0.11338%0.383CS..PPolyproline II helixtrans-64.1148.4175.200000112L22 F23 V49 E65L22-G47 WeakPolarHBondContact O-CA 3.38Å; L22-G47 PolarHBondContact O-N 3.26Å; F23-G47 VanDerWaalsContact CE1-C 3.49Å; G47-V49 PolarHBondContact O-N 3.46Å; G47-E65 WeakPolarHBondContact CA-OE1 3.37Å
48K95.9Very high95.7Very high136 Ų13679.4 Ų79.459%0.59139%0.391SS*.  trans-78.3112.1-176.1-61-177.8-176.9179.10110.4Q64 E65K48-Q64 HydrophobicContact CB-CB 3.89Å; K48-Q64 PolarHBondContact O-N 2.89Å; K48-E65 PolarHBondContact N-OE1 3.07Å
49V96.8Very high95.7Very high32 Ų3280.3 Ų80.319%0.19440%0.396CS..EExtended strand (participates in β ladder)trans-142.8143.517967.20000110.6F23 G47 V51 V61 Q62 I63 M92F23-V49 HydrophobicContact CD1-CB 3.91Å; F23-V49 HydrophobicContact CD1-CG1 3.99Å; F23-V49 HydrophobicContact CE1-CB 4.28Å; G47-V49 PolarHBondContact O-N 3.46Å; V49-V51 HydrophobicContact CG2-CG2 4.11Å; V49-V61 HydrophobicContact CG2-CG1 3.94Å; V49-Q62 WeakPolarHBondContact CA-O 3.49Å; V49-I63 HydrophobicContact CG2-CG1 4.33Å; V49-M92 HydrophobicContact CB-CE 4.5Å; V49-M92 HydrophobicContact CG1-CE 4.26Å; V49-M92 HydrophobicContact CG2-CE 3.57Å
50Q96.7Very high95.8Very high89 Ų8985.7 Ų85.742%0.41642%0.416SS..EExtended strand (participates in β ladder)trans-109.5123.6168.4-72.1-179.2-12.100108.7Y52 V61 Q62Q50-Y52 HydrophobicContact CB-CD1 4.39Å; Q50-V61 CarbonylContact O-C 3.6Å; Q50-V61 WeakPolarHBondContact O-CA 3.41Å; Q50-Q62 HydrophobicContact CB-CB 4.44Å; Q50-Q62 PolarHBondContact N-O 3.43Å; Q50-Q62 PolarHBondContact O-N 2.87Å
51V96.8Very high95.9Very high20 Ų2079.6 Ų79.612%0.12139%0.389CS..EExtended strand (participates in β ladder)trans-123.3118172.8-1720000107.6A25 S27 V49 R60 V61 E88 M92A25-V51 WeakPolarHBondContact O-CG1 3.31Å; S27-V51 WeakPolarHBondContact CB-O 3.45Å; V49-V51 HydrophobicContact CG2-CG2 4.11Å; V51-R60 WeakPolarHBondContact CA-O 3.42Å; V51-V61 HydrophobicContact CG1-CG2 4.21Å; V51-V61 HydrophobicContact CG2-CG1 4.41Å; V51-V61 HydrophobicContact CG2-CG2 4.35Å; V51-E88 HydrophobicContact CG1-CB 4.25Å; V51-E88 HydrophobicContact CG1-CG 3.72Å; V51-M92 HydrophobicContact CG2-CE 3.49Å; V51-M92 VanDerWaalsContact CG2-CE 3.49Å
52Y95.3Very high96Very high91 Ų9179 Ų7936%0.35739%0.391SS..EExtended strand (participates in β ladder)trans-150.3165.3-177.766.3-86.5000111Q50 E54 R60Q50-Y52 HydrophobicContact CB-CD1 4.39Å; Y52-E54 HydrophobicContact CE2-CG 4.37Å; Y52-E54 VanDerWaalsContact CE2-OE1 3.31Å; Y52-E54 WeakPolarHBondContact CE2-OE1 3.46Å; Y52-E54 PolarHBondContact OH-OE1 3.31Å; Y52-R60 HydrophobicContact CD1-CB 4.24Å; Y52-R60 HydrophobicContact CD2-CB 4.31Å; Y52-R60 HydrophobicContact CE1-CB 3.77Å; Y52-R60 HydrophobicContact CE2-CB 3.84Å; Y52-R60 HydrophobicContact CE2-CG 4.05Å; Y52-R60 HydrophobicContact CG-CB 4.48Å; Y52-R60 PolarHBondContact N-O 3.43Å; Y52-R60 VanDerWaalsContact N-O 3.09Å; Y52-R60 PolarHBondContact O-N 2.99Å
53Q95.1Very high96.2Very high88 Ų8880.1 Ų80.141%0.41140%0.397SS..EExtended strand (participates in β ladder)trans-103.3135.9172.5-73.8-173.9-16.600110.6E58 T84Q53-E58 CarbonylContact C-O 3.57Å; Q53-E58 WeakPolarHBondContact CA-O 3.31Å; Q53-T84 PolarHBondContact NE2-OG1 2.82Å
54E95.6Very high96.3Very high60 Ų6082.1 Ų82.128%0.2839%0.393SS..  trans-70.7162.9169.2-69.4-6917000110.7Y52 N56 R57 E58 R60Y52-E54 HydrophobicContact CE2-CG 4.37Å; Y52-E54 VanDerWaalsContact CE2-OE1 3.31Å; Y52-E54 WeakPolarHBondContact CE2-OE1 3.46Å; Y52-E54 PolarHBondContact OH-OE1 3.31Å; E54-N56 WeakPolarHBondContact CB-OD1 3.47Å; E54-N56 PolarHBondContact O-N 3.26Å; E54-R57 WeakPolarHBondContact O-CA 3.49Å; E54-R57 PolarHBondContact O-N 3.34Å; E54-E58 HydrophobicContact CB-CB 4.48Å; E54-E58 PolarHBondContact N-O 3.02Å; E54-R60 HydrophobicContact CG-CG 3.6Å; E54-R60 WeakPolarHBondContact OE1-CG 3.18Å; E54-R60 IonicContact OE1-NE 2.89Å
55P96.1Very high96.3Very high131 Ų13183 Ų8385%0.85139%0.394SS*.THydrogen-bonded Turntrans-56.6-23.8178.5-27.235.6000114.7R57P55-R57 VanDerWaalsContact C-N 3.3Å
56N96.4Very high96.3Very high99 Ų9978.5 Ų78.553%0.52938%0.382SS..THydrogen-bonded Turntrans-86.36.9175.367.6-6000113.8E54 E58E54-N56 WeakPolarHBondContact CB-OD1 3.47Å; E54-N56 PolarHBondContact O-N 3.26Å; N56-E58 VanDerWaalsContact C-N 3.27Å; N56-E58 VanDerWaalsContact ND2-CD 3.27Å; N56-E58 PolarHBondContact ND2-OE1 3.3Å; N56-E58 PolarHBondContact O-N 3.26Å; N56-E58 WeakPolarHBondContact OD1-CB 3.37Å; N56-E58 PolarHBondContact OD1-N 3.31Å
57R94.8Very high96.4Very high207 Ų20776.1 Ų76.178%0.78137%0.37SS*.SBendtrans70.88.9-176.6-50.4-179.1178-177.2-1.5115.7E54 P55E54-R57 WeakPolarHBondContact O-CA 3.49Å; E54-R57 PolarHBondContact O-N 3.34Å; P55-R57 VanDerWaalsContact C-N 3.3Å
58E97.6Very high96.4Very high99 Ų9983.5 Ų83.546%0.46339%0.394SS..  trans-69139.2169.6-70.6-179.4-179.700110.6Q53 E54 N56 R60Q53-E58 CarbonylContact C-O 3.57Å; Q53-E58 WeakPolarHBondContact CA-O 3.31Å; E54-E58 HydrophobicContact CB-CB 4.48Å; E54-E58 PolarHBondContact N-O 3.02Å; N56-E58 VanDerWaalsContact C-N 3.27Å; N56-E58 VanDerWaalsContact ND2-CD 3.27Å; N56-E58 PolarHBondContact ND2-OE1 3.3Å; N56-E58 PolarHBondContact O-N 3.26Å; N56-E58 WeakPolarHBondContact OD1-CB 3.37Å; N56-E58 PolarHBondContact OD1-N 3.31Å; E58-R60 IonicContact OE2-NH2 3.44Å
59T97.8Very high96.3Very high19 Ų1979.1 Ų79.112%0.11739%0.388CS..EExtended strand (participates in β ladder)trans-83.1133.5176.2-59.30000110.4V61 E88 I91T59-V61 HydrophobicContact CG2-CG2 4.43Å; T59-E88 HydrophobicContact CG2-CB 4.23Å; T59-E88 HydrophobicContact CG2-CG 3.49Å; T59-E88 VanDerWaalsContact CG2-CG 3.49Å; T59-I91 HydrophobicContact CG2-CD1 4.02Å
60R97.6Very high96.3Very high118 Ų11880.5 Ų80.545%0.44539%0.391SS..EExtended strand (participates in β ladder)trans-117.5135.7171.9-71.1-75.1-175.7-139.1-12.3109.9V51 Y52 E54 E58V51-R60 WeakPolarHBondContact CA-O 3.42Å; Y52-R60 HydrophobicContact CD1-CB 4.24Å; Y52-R60 HydrophobicContact CD2-CB 4.31Å; Y52-R60 HydrophobicContact CE1-CB 3.77Å; Y52-R60 HydrophobicContact CE2-CB 3.84Å; Y52-R60 HydrophobicContact CE2-CG 4.05Å; Y52-R60 HydrophobicContact CG-CB 4.48Å; Y52-R60 PolarHBondContact N-O 3.43Å; Y52-R60 VanDerWaalsContact N-O 3.09Å; Y52-R60 PolarHBondContact O-N 2.99Å; E54-R60 HydrophobicContact CG-CG 3.6Å; E54-R60 WeakPolarHBondContact OE1-CG 3.18Å; E54-R60 IonicContact OE1-NE 2.89Å; E58-R60 IonicContact OE2-NH2 3.44Å
61V97.9Very high96.3Very high24 Ų2477 Ų7715%0.14538%0.375CS..EExtended strand (participates in β ladder)trans-125.8126.6173.2179.80000108.3V49 Q50 V51 T59 I91 M92V49-V61 HydrophobicContact CG2-CG1 3.94Å; Q50-V61 CarbonylContact O-C 3.6Å; Q50-V61 WeakPolarHBondContact O-CA 3.41Å; V51-V61 HydrophobicContact CG1-CG2 4.21Å; V51-V61 HydrophobicContact CG2-CG1 4.41Å; V51-V61 HydrophobicContact CG2-CG2 4.35Å; T59-V61 HydrophobicContact CG2-CG2 4.43Å; V61-I91 HydrophobicContact CB-CG2 3.82Å; V61-I91 HydrophobicContact CG2-CB 4.03Å; V61-I91 HydrophobicContact CG2-CG2 3.73Å; V61-M92 HydrophobicContact CG1-CB 4.02Å; V61-M92 HydrophobicContact CG1-CE 3.67Å; V61-M92 HydrophobicContact CG1-CG 4.14Å; V61-M92 HydrophobicContact CG2-CB 4.48Å
62Q97.4Very high96.4Very high104 Ų10476 Ų7649%0.48637%0.37SS..EExtended strand (participates in β ladder)trans-127.5109.5175.5-171.7177.98.400110.1V49 Q50V49-Q62 WeakPolarHBondContact CA-O 3.49Å; Q50-Q62 HydrophobicContact CB-CB 4.44Å; Q50-Q62 PolarHBondContact N-O 3.43Å; Q50-Q62 PolarHBondContact O-N 2.87Å
63I97.4Very high96.6Very high33 Ų3371.8 Ų71.817%0.16935%0.353CS..EExtended strand (participates in β ladder)trans-79.2123.9173.4-56.9172.4000107.8F23 V49 E65 V67 A95 C96F23-I63 HydrophobicContact CE1-CG2 4.13Å; F23-I63 HydrophobicContact CE2-CG2 4.32Å; F23-I63 HydrophobicContact CZ-CG2 3.65Å; V49-I63 HydrophobicContact CG2-CG1 4.33Å; I63-E65 HydrophobicContact CG2-CG 4.35Å; I63-E65 WeakPolarHBondContact CG2-O 3.44Å; I63-V67 HydrophobicContact CG2-CG1 4.04Å; I63-A95 HydrophobicContact CD1-CB 3.8Å; I63-A95 HydrophobicContact CG1-CB 4.47Å; I63-C96 WeakPolarHBondContact CD1-SG 3.48Å
64Q96.6Very high96.7Very high94 Ų9467.6 Ų67.644%0.43933%0.333SS..  trans-101.914.4-172.6-60.2-175.3-27.600113.2K48K48-Q64 HydrophobicContact CB-CB 3.89Å; K48-Q64 PolarHBondContact O-N 2.89Å
65E94.8Very high96.9Very high61 Ų6164.7 Ų64.729%0.28532%0.32SS..SBendtrans-144.5160.9178.164.8176.186.800112.1F23 G47 K48 I63 V67 K70F23-E65 HydrophobicContact CE1-CG 4.17Å; F23-E65 HydrophobicContact CZ-CG 3.91Å; G47-E65 WeakPolarHBondContact CA-OE1 3.37Å; K48-E65 PolarHBondContact N-OE1 3.07Å; I63-E65 HydrophobicContact CG2-CG 4.35Å; I63-E65 WeakPolarHBondContact CG2-O 3.44Å; E65-V67 PolarHBondContact O-N 3.23Å; E65-K70 IonicContact OE2-NZ 3.45Å
66S95Very high97Very high81 Ų8158.6 Ų58.657%0.56628%0.28SS*.  trans-76126.8178.3-176.50000111.7K70S66-K70 VanDerWaalsContact O-CE 3.24Å; S66-K70 WeakPolarHBondContact O-CE 3.45Å; S66-K70 PolarHBondContact O-NZ 2.81Å
67V96.7Very high97Very high1 Ų154 Ų541%0.00626%0.255CS..  trans-1094.2175.4-59.80000113.1F23 I63 E65 G69 K70 V72 A101F23-V67 HydrophobicContact CE2-CG1 3.56Å; F23-V67 HydrophobicContact CZ-CG1 3.7Å; I63-V67 HydrophobicContact CG2-CG1 4.04Å; E65-V67 PolarHBondContact O-N 3.23Å; V67-G69 PolarHBondContact O-N 3.08Å; V67-K70 WeakPolarHBondContact O-CB 3.35Å; V67-K70 PolarHBondContact O-N 3.28Å; V67-K70 VanDerWaalsContact O-N 3.12Å; V67-V72 HydrophobicContact CB-CG2 3.99Å; V67-V72 HydrophobicContact CG1-CG2 4.28Å; V67-A101 HydrophobicContact CG2-CB 4.45Å; V67-A101 WeakPolarHBondContact O-CA 3.38Å
68R96.2Very high97.1Very high167 Ų16744.8 Ų44.863%0.6322%0.222SC*.THydrogen-bonded Turntrans-59.4124.5-175.5179.9-179.7-65.2-80.1-3.4111.1K70 C100R68-K70 PolarHBondContact O-N 3.37Å; R68-C100 HydrophobicContact CG-CB 4.3Å; R68-C100 PolarHBondContact NH1-SG 2.97Å; R68-C100 VanDerWaalsContact NH1-SG 3.43Å
69G94.9Very high96.7Very high44 Ų4441 Ų4145%0.45421%0.207SC..THydrogen-bonded Turntrans69.15.4178.200000115.1V67 C100 K102V67-G69 PolarHBondContact O-N 3.08Å; G69-C100 PolarHBondContact N-O 3.04Å; G69-K102 WeakPolarHBondContact O-CB 3.36Å
70K96.1Very high96.3Very high60 Ų6050.6 Ų50.626%0.26125%0.247SC..  trans-90.1156.9179.2-64.9-168.2-173.6168.20111.7G19 V21 E65 S66 V67 R68 V72 K102G19-K70 WeakPolarHBondContact O-CA 3.46Å; G19-K70 VanDerWaalsContact O-CB 3.24Å; G19-K70 WeakPolarHBondContact O-CB 3.24Å; V21-K70 HydrophobicContact CG2-CB 4.23Å; V21-K70 HydrophobicContact CG2-CD 3.31Å; V21-K70 HydrophobicContact CG2-CG 4.41Å; E65-K70 IonicContact OE2-NZ 3.45Å; S66-K70 VanDerWaalsContact O-CE 3.24Å; S66-K70 WeakPolarHBondContact O-CE 3.45Å; S66-K70 PolarHBondContact O-NZ 2.81Å; V67-K70 WeakPolarHBondContact O-CB 3.35Å; V67-K70 PolarHBondContact O-N 3.28Å; V67-K70 VanDerWaalsContact O-N 3.12Å; R68-K70 PolarHBondContact O-N 3.37Å; K70-V72 HydrophobicContact CB-CG2 4.49Å; K70-K102 WeakPolarHBondContact O-CB 3.16Å; K70-K102 PolarHBondContact O-N 3Å
71D96.9Very high96.1Very high16 Ų1648.5 Ų48.59%0.08625%0.245CC..EExtended strand (participates in β ladder)trans-90.5112.1171.2-65-54.7000107.9G19 L20 V21 K102 S103G19-D71 PolarHBondContact O-N 3.49Å; G19-D71 VanDerWaalsContact O-N 3.09Å; L20-D71 WeakPolarHBondContact CA-O 3.32Å; V21-D71 PolarHBondContact N-O 3.44Å; D71-K102 WeakPolarHBondContact OD1-CD 3.42Å; D71-K102 IonicContact OD1-NZ 3.59Å; D71-K102 PolarHBondContact OD1-NZ 2.96Å; D71-K102 IonicContact OD2-NZ 2.83Å; D71-K102 PolarHBondContact OD2-NZ 3.46Å; D71-S103 WeakPolarHBondContact CA-OG 3.44Å; D71-S103 WeakPolarHBondContact CB-OG 3.18Å; D71-S103 WeakPolarHBondContact OD1-CB 3.34Å; D71-S103 PolarHBondContact OD1-OG 3.48Å
72V98.3Very high96Very high0 Ų049.3 Ų49.30%025%0.249CC..EExtended strand (participates in β ladder)trans-108.3126-169.4-177.20000110.3F23 V67 K70 I74 A101 S103 I104 I105F23-V72 HydrophobicContact CD2-CG1 3.59Å; F23-V72 HydrophobicContact CE2-CG1 3.82Å; V67-V72 HydrophobicContact CB-CG2 3.99Å; V67-V72 HydrophobicContact CG1-CG2 4.28Å; K70-V72 HydrophobicContact CB-CG2 4.49Å; V72-I74 HydrophobicContact CG1-CG1 4.13Å; V72-A101 HydrophobicContact CG2-CB 3.84Å; V72-S103 PolarHBondContact N-O 3.09Å; V72-I104 CarbonylContact O-C 3.5Å; V72-I104 WeakPolarHBondContact O-CA 3.47Å; V72-I105 WeakPolarHBondContact O-CD1 3.36Å; V72-I105 PolarHBondContact O-N 2.87Å
73F98.7Very high96Very high1 Ų148.7 Ų48.70%0.00425%0.249CC..EExtended strand (participates in β ladder)trans-108.8119.3173.4-62.6-99.6000109.3L20 V21 L22 F23 I105 V107 I143 I349 I352 H353L20-F73 HydrophobicContact CD1-CD2 4.01Å; L20-F73 HydrophobicContact CD1-CE2 3.67Å; L20-F73 HydrophobicContact CG-CD2 4.08Å; L20-F73 HydrophobicContact CG-CE2 4.09Å; V21-F73 PolarHBondContact O-N 2.75Å; L22-F73 CarbonylContact C-O 3.57Å; L22-F73 WeakPolarHBondContact CA-O 3.07Å; L22-F73 HydrophobicContact CD2-CB 3.64Å; L22-F73 HydrophobicContact CD2-CD2 4.17Å; L22-F73 HydrophobicContact CD2-CG 4.13Å; F23-F73 PolarHBondContact N-O 2.88Å; F73-I105 CarbonylContact C-O 3.55Å; F73-I105 WeakPolarHBondContact CA-O 3.43Å; F73-I105 HydrophobicContact CD1-CB 3.54Å; F73-I105 HydrophobicContact CD1-CD1 4.19Å; F73-I105 HydrophobicContact CD1-CG1 4.08Å; F73-I105 HydrophobicContact CD1-CG2 3.64Å; F73-I105 HydrophobicContact CD2-CD1 4.41Å; F73-I105 HydrophobicContact CE1-CB 3.76Å; F73-I105 HydrophobicContact CE1-CD1 3.89Å; F73-I105 HydrophobicContact CE1-CG1 3.8Å; F73-I105 HydrophobicContact CE1-CG2 3.79Å; F73-I105 HydrophobicContact CE2-CD1 4.11Å; F73-I105 HydrophobicContact CG-CB 4.21Å; F73-I105 HydrophobicContact CG-CD1 4.44Å; F73-I105 HydrophobicContact CZ-CD1 3.85Å; F73-I105 HydrophobicContact CZ-CG1 4.23Å; F73-V107 HydrophobicContact CB-CG2 4.29Å; F73-V107 HydrophobicContact CD1-CG2 4.12Å; F73-I143 HydrophobicContact CE1-CD1 4.49Å; F73-I349 HydrophobicContact CD1-CB 4.27Å; F73-I349 HydrophobicContact CD1-CG1 3.84Å; F73-I349 HydrophobicContact CD1-CG2 3.84Å; F73-I349 HydrophobicContact CD2-CG2 4.11Å; F73-I349 HydrophobicContact CE1-CB 4.21Å; F73-I349 HydrophobicContact CE1-CG1 4.17Å; F73-I349 HydrophobicContact CE1-CG2 3.83Å; F73-I349 HydrophobicContact CE2-CG2 4.11Å; F73-I349 HydrophobicContact CG-CG1 4.5Å; F73-I349 HydrophobicContact CG-CG2 4Å; F73-I349 HydrophobicContact CZ-CG2 3.96Å; F73-I352 HydrophobicContact CE1-CB 4.47Å; F73-I352 HydrophobicContact CE1-CG2 4.25Å; F73-I352 HydrophobicContact CZ-CG2 4.25Å; F73-H353 HydrophobicContact CE2-CB 4.31Å; F73-H353 HydrophobicContact CZ-CB 4.12Å
74I98.7Very high96Very high0 Ų048.1 Ų48.10%025%0.247CC..EExtended strand (participates in β ladder)trans-103.8109.8177.6-60.9166.6000107.8A25 V72 L89 M92 V93 I104 I105 V107A25-I74 HydrophobicContact CB-CG2 3.72Å; V72-I74 HydrophobicContact CG1-CG1 4.13Å; I74-L89 HydrophobicContact CG2-CD1 3.79Å; I74-M92 HydrophobicContact CD1-CB 4.35Å; I74-M92 HydrophobicContact CD1-CG 3.84Å; I74-M92 HydrophobicContact CD1-SD 4.38Å; I74-M92 HydrophobicContact CG1-CG 4.24Å; I74-M92 HydrophobicContact CG1-SD 4.14Å; I74-M92 HydrophobicContact CG2-CG 4.32Å; I74-M92 HydrophobicContact CG2-SD 3.67Å; I74-V93 HydrophobicContact CD1-CB 4.35Å; I74-V93 HydrophobicContact CD1-CG2 3.65Å; I74-I104 HydrophobicContact CD1-CG2 3.72Å; I74-I105 PolarHBondContact N-O 2.85Å; I74-V107 PolarHBondContact O-N 3.07Å
75I98.6Very high96.1Very high0 Ų043.8 Ų43.80%023%0.227CC..EExtended strand (participates in β ladder)trans-87.3124177.3-54.4166.7000108.1F23 S24 A25 I38 V107F23-I75 PolarHBondContact O-N 3.19Å; S24-I75 WeakPolarHBondContact CA-O 3.42Å; A25-I75 PolarHBondContact N-O 2.83Å; I38-I75 HydrophobicContact CB-CD1 4.13Å; I38-I75 HydrophobicContact CD1-CD1 4.02Å; I38-I75 HydrophobicContact CD1-CG2 4.33Å; I38-I75 HydrophobicContact CG2-CD1 3.92Å; I75-V107 WeakPolarHBondContact CA-O 3.32Å; I75-V107 HydrophobicContact CB-CB 4.45Å; I75-V107 HydrophobicContact CG1-CB 4Å; I75-V107 HydrophobicContact CG1-CG1 4.37Å; I75-V107 HydrophobicContact CG1-CG2 4.37Å
76Q98.1Very high96.2Very high3 Ų341.6 Ų41.61%0.01422%0.217CC..  trans-133.9112.7178.1-172.171-3800111.1A25 N26 T85 E88 L89 V107 P109A25-Q76 HydrophobicContact CB-CB 4.42Å; A25-Q76 VanDerWaalsContact CB-CD 3.49Å; A25-Q76 HydrophobicContact CB-CG 4.44Å; A25-Q76 VanDerWaalsContact CB-OE1 3.22Å; N26-Q76 PolarHBondContact ND2-OE1 2.72Å; N26-Q76 VanDerWaalsContact ND2-OE1 3.11Å; N26-Q76 PolarHBondContact OD1-OE1 2.83Å; Q76-T85 HydrophobicContact CG-CG2 3.67Å; Q76-T85 PolarHBondContact NE2-O 3.15Å; Q76-E88 PolarHBondContact NE2-OE2 2.77Å; Q76-L89 HydrophobicContact CB-CD1 4.16Å; Q76-L89 HydrophobicContact CG-CB 4.12Å; Q76-V107 PolarHBondContact N-O 3.03Å; Q76-P109 WeakPolarHBondContact O-CD 3.3Å
77T97.6Very high96.4Very high1 Ų142.1 Ų42.11%0.00621%0.212CC..  trans-91.2160.316666.60000110.2N26 C31 L34 T85N26-T77 PolarHBondContact ND2-O 2.76Å; N26-T77 PolarHBondContact OD1-N 2.76Å; N26-T77 PolarHBondContact OD1-OG1 2.81Å; N26-T77 VanDerWaalsContact OD1-OG1 3.07Å; C31-T77 WeakPolarHBondContact CB-OG1 3.31Å; C31-T77 PolarHBondContact O-OG1 3.25Å; L34-T77 HydrophobicContact CB-CG2 4.07Å; L34-T77 HydrophobicContact CD2-CG2 3.87Å; T77-T85 WeakPolarHBondContact O-CG2 3.44Å
78V95.4Very high96.5Very high14 Ų1442.2 Ų42.29%0.08521%0.212CC..  trans-91.7122.7-179179.30000110.6V82 T85 Y110 P112V78-V82 HydrophobicContact CG1-CB 4.22Å; V78-V82 HydrophobicContact CG1-CG2 4.01Å; V78-T85 HydrophobicContact CG2-CG2 4.48Å; V78-Y110 HydrophobicContact CB-CD1 3.94Å; V78-Y110 HydrophobicContact CB-CE1 4.42Å; V78-Y110 HydrophobicContact CG1-CD1 4.49Å; V78-Y110 HydrophobicContact CG1-CE1 4.49Å; V78-Y110 HydrophobicContact CG2-CD1 3.61Å; V78-Y110 HydrophobicContact CG2-CE1 4.18Å; V78-P112 HydrophobicContact CG2-CB 4.2Å; V78-P112 HydrophobicContact CG2-CG 4.27Å
79S89.6Confident96.6Very high21 Ų2134.6 Ų34.615%0.14718%0.184CC..  trans-85.1178.8172.278.30000111.2D81 T85S79-D81 PolarHBondContact O-N 3.38Å; S79-D81 PolarHBondContact OG-N 2.97Å; S79-D81 PolarHBondContact OG-O 2.97Å; S79-T85 PolarHBondContact N-OG1 3.04Å; S79-T85 PolarHBondContact OG-OG1 2.73Å
80K89.2Confident96.7Very high220 Ų22033.6 Ų33.696%0.95717%0.168SC*.SBendtrans-57.6-31.4174.1-169.4175.2179.7173.20112.4
81D94.1Very high96.9Very high74 Ų7433.3 Ų33.340%0.39617%0.169SC..  trans-97.991.5173.1-172.6-13.5000110.2S79 N83 T84 T85S79-D81 PolarHBondContact O-N 3.38Å; S79-D81 PolarHBondContact OG-N 2.97Å; S79-D81 PolarHBondContact OG-O 2.97Å; D81-N83 VanDerWaalsContact C-N 3.27Å; D81-N83 PolarHBondContact O-N 3.26Å; D81-N83 PolarHBondContact OD1-N 3.44Å; D81-N83 VanDerWaalsContact OD1-N 3.11Å; D81-T84 VanDerWaalsContact CG-CB 3.48Å; D81-T84 PolarHBondContact OD1-N 2.78Å; D81-T84 WeakPolarHBondContact OD2-CB 3.48Å; D81-T84 PolarHBondContact OD2-OG1 3.1Å; D81-T85 WeakPolarHBondContact O-CB 3.28Å; D81-T85 PolarHBondContact O-N 3.4Å; D81-T85 PolarHBondContact O-OG1 3.48Å
82V96.2Very high96.9Very high40 Ų4032.5 Ų32.524%0.24217%0.165CC..Hα-helixtrans-62.5-33.1-179.8670000112.7V78 T85 I86 P112 Y113V78-V82 HydrophobicContact CG1-CB 4.22Å; V78-V82 HydrophobicContact CG1-CG2 4.01Å; V82-T85 WeakPolarHBondContact O-CB 3.37Å; V82-T85 PolarHBondContact O-N 3.31Å; V82-I86 HydrophobicContact CG2-CD1 4.17Å; V82-I86 WeakPolarHBondContact O-CD1 3.31Å; V82-I86 VanDerWaalsContact O-CG1 3.28Å; V82-I86 WeakPolarHBondContact O-CG1 3.31Å; V82-I86 PolarHBondContact O-N 3.49Å; V82-P112 HydrophobicContact CG2-CB 3.49Å; V82-P112 VanDerWaalsContact CG2-CB 3.49Å; V82-P112 HydrophobicContact CG2-CG 4.45Å; V82-Y113 HydrophobicContact CG1-CE2 4.26Å; V82-Y113 HydrophobicContact CG2-CD2 4.46Å; V82-Y113 HydrophobicContact CG2-CE2 4.08Å
83N97.4Very high97Very high92 Ų9232.6 Ų32.649%0.49217%0.165SC..Hα-helixtrans-73.1-45.3-177.1-72.4-39000111D81 T85 I86 M87 Y113D81-N83 VanDerWaalsContact C-N 3.27Å; D81-N83 PolarHBondContact O-N 3.26Å; D81-N83 PolarHBondContact OD1-N 3.44Å; D81-N83 VanDerWaalsContact OD1-N 3.11Å; N83-T85 VanDerWaalsContact C-N 3.3Å; N83-T85 PolarHBondContact O-N 2.98Å; N83-I86 PolarHBondContact O-N 3.35Å; N83-M87 WeakPolarHBondContact O-CG 3.46Å; N83-M87 PolarHBondContact O-N 3.41Å; N83-Y113 PolarHBondContact OD1-OH 2.81Å
84T97.2Very high97Very high20 Ų2039.2 Ų39.212%0.12319%0.191CC..Hα-helixtrans-58.4-46.2171.9-68.40000110.4Q53 D81 I86 M87 E88Q53-T84 PolarHBondContact NE2-OG1 2.82Å; D81-T84 VanDerWaalsContact CG-CB 3.48Å; D81-T84 PolarHBondContact OD1-N 2.78Å; D81-T84 WeakPolarHBondContact OD2-CB 3.48Å; D81-T84 PolarHBondContact OD2-OG1 3.1Å; T84-I86 VanDerWaalsContact C-N 3.26Å; T84-I86 PolarHBondContact O-N 2.94Å; T84-M87 PolarHBondContact O-N 3.33Å; T84-E88 HydrophobicContact CG2-CG 4.17Å; T84-E88 WeakPolarHBondContact O-CG 3.29Å; T84-E88 PolarHBondContact O-N 3Å
85T97.6Very high97Very high3 Ų340.4 Ų40.42%0.01820%0.201CC..Hα-helixtrans-55.4-42.1177.6-54.60000111.8Q76 T77 V78 S79 D81 V82 N83 L89Q76-T85 HydrophobicContact CG-CG2 3.67Å; Q76-T85 PolarHBondContact NE2-O 3.15Å; T77-T85 WeakPolarHBondContact O-CG2 3.44Å; V78-T85 HydrophobicContact CG2-CG2 4.48Å; S79-T85 PolarHBondContact N-OG1 3.04Å; S79-T85 PolarHBondContact OG-OG1 2.73Å; D81-T85 WeakPolarHBondContact O-CB 3.28Å; D81-T85 PolarHBondContact O-N 3.4Å; D81-T85 PolarHBondContact O-OG1 3.48Å; V82-T85 WeakPolarHBondContact O-CB 3.37Å; V82-T85 PolarHBondContact O-N 3.31Å; N83-T85 VanDerWaalsContact C-N 3.3Å; N83-T85 PolarHBondContact O-N 2.98Å; T85-L89 PolarHBondContact O-N 3.46Å; T85-L89 VanDerWaalsContact O-N 3.16Å
86I98.2Very high97Very high15 Ų1540.4 Ų40.48%0.07720%0.201CC..Hα-helixtrans-65.7-43.8177.1-71.3163000110.6V82 N83 T84 L89 L90 P112 Y113 L130V82-I86 HydrophobicContact CG2-CD1 4.17Å; V82-I86 WeakPolarHBondContact O-CD1 3.31Å; V82-I86 VanDerWaalsContact O-CG1 3.28Å; V82-I86 WeakPolarHBondContact O-CG1 3.31Å; V82-I86 PolarHBondContact O-N 3.49Å; N83-I86 PolarHBondContact O-N 3.35Å; T84-I86 VanDerWaalsContact C-N 3.26Å; T84-I86 PolarHBondContact O-N 2.94Å; I86-L89 PolarHBondContact O-N 3.42Å; I86-L90 HydrophobicContact CG2-CD1 3.72Å; I86-L90 HydrophobicContact CG2-CG 4.14Å; I86-L90 WeakPolarHBondContact O-CB 3.36Å; I86-L90 VanDerWaalsContact O-CG 3.27Å; I86-L90 WeakPolarHBondContact O-CG 3.44Å; I86-L90 PolarHBondContact O-N 3.29Å; I86-P112 HydrophobicContact CD1-CB 4.39Å; I86-P112 HydrophobicContact CD1-CG 4.2Å; I86-P112 HydrophobicContact CG1-CG 4.05Å; I86-Y113 HydrophobicContact CD1-CD2 3.66Å; I86-Y113 HydrophobicContact CD1-CE2 3.41Å; I86-Y113 VanDerWaalsContact CD1-CE2 3.41Å; I86-L130 HydrophobicContact CD1-CD1 4.05Å; I86-L130 HydrophobicContact CD1-CD2 4.19Å; I86-L130 HydrophobicContact CG1-CD1 4.11Å; I86-L130 HydrophobicContact CG2-CD1 3.66Å
87M98.3Very high97Very high93 Ų9345.2 Ų45.246%0.45822%0.222SC..Hα-helixtrans-65.2-42.8179-68.6-55-60.300112.5N83 T84 L89 L90 I91N83-M87 WeakPolarHBondContact O-CG 3.46Å; N83-M87 PolarHBondContact O-N 3.41Å; T84-M87 PolarHBondContact O-N 3.33Å; M87-L89 VanDerWaalsContact C-N 3.3Å; M87-L89 PolarHBondContact O-N 2.98Å; M87-L90 PolarHBondContact O-N 3.44Å; M87-L90 HydrophobicContact SD-CD1 4.37Å; M87-I91 HydrophobicContact CB-CD1 4.5Å; M87-I91 HydrophobicContact CE-CD1 4.37Å; M87-I91 WeakPolarHBondContact O-CB 3.36Å; M87-I91 WeakPolarHBondContact O-CD1 3.38Å; M87-I91 WeakPolarHBondContact O-CG1 3.29Å; M87-I91 PolarHBondContact O-N 2.81Å
88E98.3Very high97Very high2 Ų249.4 Ų49.41%0.00925%0.248CC..Hα-helixtrans-53-48.4172.7-72.3173.8159.800111.4A25 S27 V51 T59 Q76 T84 M92A25-E88 WeakPolarHBondContact O-CB 3.48Å; S27-E88 WeakPolarHBondContact CB-OE1 3.33Å; S27-E88 PolarHBondContact OG-OE1 3.46Å; V51-E88 HydrophobicContact CG1-CB 4.25Å; V51-E88 HydrophobicContact CG1-CG 3.72Å; T59-E88 HydrophobicContact CG2-CB 4.23Å; T59-E88 HydrophobicContact CG2-CG 3.49Å; T59-E88 VanDerWaalsContact CG2-CG 3.49Å; Q76-E88 PolarHBondContact NE2-OE2 2.77Å; T84-E88 HydrophobicContact CG2-CG 4.17Å; T84-E88 WeakPolarHBondContact O-CG 3.29Å; T84-E88 PolarHBondContact O-N 3Å; E88-M92 WeakPolarHBondContact O-CB 3.46Å; E88-M92 PolarHBondContact O-N 3.06Å
89L98.4Very high97.1Very high8 Ų851.1 Ų51.14%0.04226%0.261CS..Hα-helixtrans-63.1-52177.4173.865.8000112I74 Q76 T85 I86 M87 I91 M92 V93 I108 M134I74-L89 HydrophobicContact CG2-CD1 3.79Å; Q76-L89 HydrophobicContact CB-CD1 4.16Å; Q76-L89 HydrophobicContact CG-CB 4.12Å; T85-L89 PolarHBondContact O-N 3.46Å; T85-L89 VanDerWaalsContact O-N 3.16Å; I86-L89 PolarHBondContact O-N 3.42Å; M87-L89 VanDerWaalsContact C-N 3.3Å; M87-L89 PolarHBondContact O-N 2.98Å; L89-I91 VanDerWaalsContact C-N 3.32Å; L89-I91 PolarHBondContact O-N 3.44Å; L89-M92 PolarHBondContact O-N 2.77Å; L89-V93 HydrophobicContact CD1-CG2 3.93Å; L89-V93 HydrophobicContact CG-CG2 4.36Å; L89-V93 WeakPolarHBondContact O-CB 3.38Å; L89-V93 VanDerWaalsContact O-CG2 3.23Å; L89-V93 WeakPolarHBondContact O-CG2 3.49Å; L89-V93 PolarHBondContact O-N 2.82Å; L89-I108 HydrophobicContact CD2-CD1 3.43Å; L89-I108 VanDerWaalsContact CD2-CD1 3.43Å; L89-I108 HydrophobicContact CD2-CG1 4.29Å; L89-M134 HydrophobicContact CD2-CE 4.28Å; L89-M134 HydrophobicContact CD2-SD 4.46Å
90L98.8Very high97.5Very high22 Ų2253 Ų5312%0.11527%0.273CS..Hα-helixtrans-61.2-41.8-176.7-69.7176.2000111.5I86 M87 Y94 M133 M134 A137I86-L90 HydrophobicContact CG2-CD1 3.72Å; I86-L90 HydrophobicContact CG2-CG 4.14Å; I86-L90 WeakPolarHBondContact O-CB 3.36Å; I86-L90 VanDerWaalsContact O-CG 3.27Å; I86-L90 WeakPolarHBondContact O-CG 3.44Å; I86-L90 PolarHBondContact O-N 3.29Å; M87-L90 PolarHBondContact O-N 3.44Å; M87-L90 HydrophobicContact SD-CD1 4.37Å; L90-Y94 VanDerWaalsContact O-CB 3.31Å; L90-Y94 WeakPolarHBondContact O-CB 3.45Å; L90-Y94 PolarHBondContact O-N 3.19Å; L90-M133 HydrophobicContact CD1-CB 4.29Å; L90-M133 HydrophobicContact CD2-CB 4.27Å; L90-M134 HydrophobicContact CD2-CB 4.37Å; L90-M134 HydrophobicContact CD2-CG 3.85Å; L90-A137 HydrophobicContact CD2-CB 3.86Å
91I98.7Very high97.9Very high54 Ų5443.4 Ų43.428%0.27724%0.235SC..Hα-helixtrans-66.5-43.7177.7-64.5166.2000110.2T59 V61 M87 L89 Y94 A95T59-I91 HydrophobicContact CG2-CD1 4.02Å; V61-I91 HydrophobicContact CB-CG2 3.82Å; V61-I91 HydrophobicContact CG2-CB 4.03Å; V61-I91 HydrophobicContact CG2-CG2 3.73Å; M87-I91 HydrophobicContact CB-CD1 4.5Å; M87-I91 HydrophobicContact CE-CD1 4.37Å; M87-I91 WeakPolarHBondContact O-CB 3.36Å; M87-I91 WeakPolarHBondContact O-CD1 3.38Å; M87-I91 WeakPolarHBondContact O-CG1 3.29Å; M87-I91 PolarHBondContact O-N 2.81Å; L89-I91 VanDerWaalsContact C-N 3.32Å; L89-I91 PolarHBondContact O-N 3.44Å; I91-Y94 PolarHBondContact O-N 3.18Å; I91-A95 WeakPolarHBondContact O-CB 3.46Å; I91-A95 PolarHBondContact O-N 2.78Å
92M98.6Very high98Very high0 Ų046.4 Ų46.40%024%0.244CC..Hα-helixtrans-64.4-42.8178.4-171.6171.2-65.500112.6F23 A25 V49 V51 V61 I74 E88 L89 Y94 A95 C96F23-M92 HydrophobicContact CB-SD 3.71Å; F23-M92 HydrophobicContact CG-SD 4.42Å; A25-M92 VanDerWaalsContact CA-CE 3.46Å; A25-M92 HydrophobicContact CB-CB 4.43Å; A25-M92 HydrophobicContact CB-CE 3.79Å; A25-M92 HydrophobicContact CB-SD 3.74Å; V49-M92 HydrophobicContact CB-CE 4.5Å; V49-M92 HydrophobicContact CG1-CE 4.26Å; V49-M92 HydrophobicContact CG2-CE 3.57Å; V51-M92 HydrophobicContact CG2-CE 3.49Å; V51-M92 VanDerWaalsContact CG2-CE 3.49Å; V61-M92 HydrophobicContact CG1-CB 4.02Å; V61-M92 HydrophobicContact CG1-CE 3.67Å; V61-M92 HydrophobicContact CG1-CG 4.14Å; V61-M92 HydrophobicContact CG2-CB 4.48Å; I74-M92 HydrophobicContact CD1-CB 4.35Å; I74-M92 HydrophobicContact CD1-CG 3.84Å; I74-M92 HydrophobicContact CD1-SD 4.38Å; I74-M92 HydrophobicContact CG1-CG 4.24Å; I74-M92 HydrophobicContact CG1-SD 4.14Å; I74-M92 HydrophobicContact CG2-CG 4.32Å; I74-M92 HydrophobicContact CG2-SD 3.67Å; E88-M92 WeakPolarHBondContact O-CB 3.46Å; E88-M92 PolarHBondContact O-N 3.06Å; L89-M92 PolarHBondContact O-N 2.77Å; M92-Y94 VanDerWaalsContact C-N 3.33Å; M92-Y94 PolarHBondContact O-N 2.8Å; M92-A95 PolarHBondContact O-N 2.79Å; M92-C96 PolarHBondContact O-N 2.57Å; M92-C96 PolarHBondContact O-SG 2.95Å
93V98.8Very high98.1Very high2 Ų245.6 Ų45.61%0.01224%0.24CC..Hα-helixtrans-59.1-47.1174169.10000110.2I74 L89 A95 C96 K97 I104 A137 L139I74-V93 HydrophobicContact CD1-CB 4.35Å; I74-V93 HydrophobicContact CD1-CG2 3.65Å; L89-V93 HydrophobicContact CD1-CG2 3.93Å; L89-V93 HydrophobicContact CG-CG2 4.36Å; L89-V93 WeakPolarHBondContact O-CB 3.38Å; L89-V93 VanDerWaalsContact O-CG2 3.23Å; L89-V93 WeakPolarHBondContact O-CG2 3.49Å; L89-V93 PolarHBondContact O-N 2.82Å; V93-A95 PolarHBondContact O-N 3.06Å; V93-C96 PolarHBondContact O-N 3.32Å; V93-K97 PolarHBondContact O-N 2.9Å; V93-I104 HydrophobicContact CG1-CG2 4.21Å; V93-I104 HydrophobicContact CG2-CG2 4.27Å; V93-A137 HydrophobicContact CB-CB 4.36Å; V93-A137 HydrophobicContact CG1-CB 3.9Å; V93-L139 HydrophobicContact CG1-CB 4.42Å; V93-L139 HydrophobicContact CG1-CD1 4.26Å; V93-L139 HydrophobicContact CG2-CD1 3.74Å
94Y98.7Very high98.1Very high139 Ų13941.4 Ų41.455%0.54522%0.218SC..Hα-helixtrans-65.5-37179.5-168-102.9000112.6L90 I91 M92 K97 T98L90-Y94 VanDerWaalsContact O-CB 3.31Å; L90-Y94 WeakPolarHBondContact O-CB 3.45Å; L90-Y94 PolarHBondContact O-N 3.19Å; I91-Y94 PolarHBondContact O-N 3.18Å; M92-Y94 VanDerWaalsContact C-N 3.33Å; M92-Y94 PolarHBondContact O-N 2.8Å; Y94-K97 PolarHBondContact O-N 2.97Å; Y94-T98 WeakPolarHBondContact O-CB 3.33Å; Y94-T98 PolarHBondContact O-N 3.5Å; Y94-T98 PolarHBondContact O-OG1 2.87Å
95A98.6Very high98.2Very high25 Ų2540.7 Ų40.721%0.20721%0.213CC..Hα-helixtrans-64.9-42.6174.600000112I63 I91 M92 V93 T98 S99I63-A95 HydrophobicContact CD1-CB 3.8Å; I63-A95 HydrophobicContact CG1-CB 4.47Å; I91-A95 WeakPolarHBondContact O-CB 3.46Å; I91-A95 PolarHBondContact O-N 2.78Å; M92-A95 PolarHBondContact O-N 2.79Å; V93-A95 PolarHBondContact O-N 3.06Å; A95-T98 PolarHBondContact O-N 3.01Å; A95-S99 VanDerWaalsContact O-CB 3.31Å; A95-S99 WeakPolarHBondContact O-CB 3.31Å; A95-S99 PolarHBondContact O-N 3.45Å; A95-S99 PolarHBondContact O-OG 2.89Å
96C98.4Very high98.3Very high0 Ų040.5 Ų40.50%021%0.212CC..Hα-helixtrans-63.1-42.1174.6-67.80000111.8I63 M92 V93 S99 C100 A101 I104I63-C96 WeakPolarHBondContact CD1-SG 3.48Å; M92-C96 PolarHBondContact O-N 2.57Å; M92-C96 PolarHBondContact O-SG 2.95Å; V93-C96 PolarHBondContact O-N 3.32Å; C96-S99 CarbonylContact O-C 3.59Å; C96-S99 PolarHBondContact O-N 2.86Å; C96-C100 PolarHBondContact O-N 2.8Å; C96-A101 HydrophobicContact CB-CB 4.22Å; C96-A101 WeakPolarHBondContact O-CB 3.43Å; C96-A101 PolarHBondContact O-N 3.39Å; C96-I104 HydrophobicContact CB-CD1 3.78Å; C96-I104 HydrophobicContact CB-CG1 4.11Å; C96-I104 HydrophobicContact CB-CG2 4.42Å
97K98.4Very high98.3Very high104 Ų10439.8 Ų39.845%0.45221%0.208SC..Hα-helixtrans-62.2-47.8176.3177174177.2170.10111.8V93 Y94 S99 C100 I104 A137V93-K97 PolarHBondContact O-N 2.9Å; Y94-K97 PolarHBondContact O-N 2.97Å; K97-S99 PolarHBondContact O-N 3.27Å; K97-C100 PolarHBondContact O-N 3.14Å; K97-I104 HydrophobicContact CB-CD1 3.72Å; K97-I104 VanDerWaalsContact N-CD1 3.34Å; K97-A137 VanDerWaalsContact CD-O 3.29Å; K97-A137 WeakPolarHBondContact CD-O 3.4Å
98T98.1Very high98.3Very high90 Ų9035.6 Ų35.655%0.55219%0.188SC*.Hα-helixtrans-61.4-32.7177.9-55.80000111.3Y94 A95 C100Y94-T98 WeakPolarHBondContact O-CB 3.33Å; Y94-T98 PolarHBondContact O-N 3.5Å; Y94-T98 PolarHBondContact O-OG1 2.87Å; A95-T98 PolarHBondContact O-N 3.01Å; T98-C100 PolarHBondContact O-N 2.9Å
99S97.7Very high98.3Very high50 Ų5035.5 Ų35.535%0.3519%0.187SC..THydrogen-bonded Turntrans-82.511.2176.4-55.50000114.2A95 C96 K97 A101A95-S99 VanDerWaalsContact O-CB 3.31Å; A95-S99 WeakPolarHBondContact O-CB 3.31Å; A95-S99 PolarHBondContact O-N 3.45Å; A95-S99 PolarHBondContact O-OG 2.89Å; C96-S99 CarbonylContact O-C 3.59Å; C96-S99 PolarHBondContact O-N 2.86Å; K97-S99 PolarHBondContact O-N 3.27Å; S99-A101 PolarHBondContact O-N 3.32Å
100C97.4Very high98.3Very high61 Ų6135.8 Ų35.841%0.41219%0.188SC..THydrogen-bonded Turntrans59.440.1177.3-48.30000114.1R68 G69 C96 K97 T98R68-C100 HydrophobicContact CG-CB 4.3Å; R68-C100 PolarHBondContact NH1-SG 2.97Å; R68-C100 VanDerWaalsContact NH1-SG 3.43Å; G69-C100 PolarHBondContact N-O 3.04Å; C96-C100 PolarHBondContact O-N 2.8Å; K97-C100 PolarHBondContact O-N 3.14Å; T98-C100 PolarHBondContact O-N 2.9Å
101A97.8Very high98.3Very high18 Ų1834.8 Ų34.815%0.14918%0.183CC..  trans-55.3142.1164.800000110.4V67 V72 C96 S99 I104V67-A101 HydrophobicContact CG2-CB 4.45Å; V67-A101 WeakPolarHBondContact O-CA 3.38Å; V72-A101 HydrophobicContact CG2-CB 3.84Å; C96-A101 HydrophobicContact CB-CB 4.22Å; C96-A101 WeakPolarHBondContact O-CB 3.43Å; C96-A101 PolarHBondContact O-N 3.39Å; S99-A101 PolarHBondContact O-N 3.32Å; A101-I104 HydrophobicContact CB-CD1 4.27Å; A101-I104 HydrophobicContact CB-CG1 3.83Å
102K96.9Very high98.2Very high137 Ų13732.6 Ų32.660%0.59617%0.172SC*.SBendtrans-72.5-45.6-179.8169.9-175.3160-137.40110.6G69 K70 D71G69-K102 WeakPolarHBondContact O-CB 3.36Å; K70-K102 WeakPolarHBondContact O-CB 3.16Å; K70-K102 PolarHBondContact O-N 3Å; D71-K102 WeakPolarHBondContact OD1-CD 3.42Å; D71-K102 IonicContact OD1-NZ 3.59Å; D71-K102 PolarHBondContact OD1-NZ 2.96Å; D71-K102 IonicContact OD2-NZ 2.83Å; D71-K102 PolarHBondContact OD2-NZ 3.46Å
103S97.4Very high98.2Very high22 Ų2235.3 Ų35.315%0.15418%0.182CC..EExtended strand (participates in β ladder)trans-138.6148.3173.866.60000109.7D71 V72 I105D71-S103 WeakPolarHBondContact CA-OG 3.44Å; D71-S103 WeakPolarHBondContact CB-OG 3.18Å; D71-S103 WeakPolarHBondContact OD1-CB 3.34Å; D71-S103 PolarHBondContact OD1-OG 3.48Å; V72-S103 PolarHBondContact N-O 3.09Å; S103-I105 VanDerWaalsContact OG-CD1 3.28Å; S103-I105 WeakPolarHBondContact OG-CD1 3.31Å
104I98.6Very high98Very high5 Ų535.3 Ų35.33%0.02618%0.182CC..EExtended strand (participates in β ladder)trans-130104.9178.9-49.8171.4000106.9V72 I74 V93 C96 K97 A101 L139 T140 H141V72-I104 CarbonylContact O-C 3.5Å; V72-I104 WeakPolarHBondContact O-CA 3.47Å; I74-I104 HydrophobicContact CD1-CG2 3.72Å; V93-I104 HydrophobicContact CG1-CG2 4.21Å; V93-I104 HydrophobicContact CG2-CG2 4.27Å; C96-I104 HydrophobicContact CB-CD1 3.78Å; C96-I104 HydrophobicContact CB-CG1 4.11Å; C96-I104 HydrophobicContact CB-CG2 4.42Å; K97-I104 HydrophobicContact CB-CD1 3.72Å; K97-I104 VanDerWaalsContact N-CD1 3.34Å; A101-I104 HydrophobicContact CB-CD1 4.27Å; A101-I104 HydrophobicContact CB-CG1 3.83Å; I104-L139 HydrophobicContact CG2-CD1 4.17Å; I104-T140 VanDerWaalsContact C-OG1 3.3Å; I104-T140 PolarHBondContact N-OG1 3.23Å; I104-T140 PolarHBondContact O-N 3.16Å; I104-T140 PolarHBondContact O-OG1 3.39Å; I104-H141 PolarHBondContact O-N 2.7Å
105I98.8Very high97.8Very high4 Ų433.5 Ų33.52%0.02118%0.178CC..EExtended strand (participates in β ladder)trans-102.7121.8-177.7-56.788.9000108.1V72 F73 I74 S103 V107 H141 I143V72-I105 WeakPolarHBondContact O-CD1 3.36Å; V72-I105 PolarHBondContact O-N 2.87Å; F73-I105 CarbonylContact C-O 3.55Å; F73-I105 WeakPolarHBondContact CA-O 3.43Å; F73-I105 HydrophobicContact CD1-CB 3.54Å; F73-I105 HydrophobicContact CD1-CD1 4.19Å; F73-I105 HydrophobicContact CD1-CG1 4.08Å; F73-I105 HydrophobicContact CD1-CG2 3.64Å; F73-I105 HydrophobicContact CD2-CD1 4.41Å; F73-I105 HydrophobicContact CE1-CB 3.76Å; F73-I105 HydrophobicContact CE1-CD1 3.89Å; F73-I105 HydrophobicContact CE1-CG1 3.8Å; F73-I105 HydrophobicContact CE1-CG2 3.79Å; F73-I105 HydrophobicContact CE2-CD1 4.11Å; F73-I105 HydrophobicContact CG-CB 4.21Å; F73-I105 HydrophobicContact CG-CD1 4.44Å; F73-I105 HydrophobicContact CZ-CD1 3.85Å; F73-I105 HydrophobicContact CZ-CG1 4.23Å; I74-I105 PolarHBondContact N-O 2.85Å; S103-I105 VanDerWaalsContact OG-CD1 3.28Å; S103-I105 WeakPolarHBondContact OG-CD1 3.31Å; I105-V107 HydrophobicContact CG2-CG2 4.49Å; I105-H141 CarbonylContact C-O 3.59Å; I105-H141 WeakPolarHBondContact CA-O 3.4Å; I105-H141 HydrophobicContact CB-CB 4.38Å; I105-H141 HydrophobicContact CG1-CB 3.9Å; I105-H141 HydrophobicContact CG2-CB 4.11Å; I105-I143 HydrophobicContact CG2-CD1 4.09Å; I105-I143 HydrophobicContact CG2-CG1 3.93Å
106G98.6Very high97.5Very high0 Ų036.7 Ų36.70%019%0.188CC..EExtended strand (participates in β ladder)trans-84.7123.3172.300000109.2H141 L142 I143G106-H141 PolarHBondContact N-O 3.4Å; G106-L142 CarbonylContact O-C 3.58Å; G106-L142 WeakPolarHBondContact O-CA 3.45Å; G106-I143 PolarHBondContact O-N 3.47Å
107V98.7Very high97.2Very high0 Ų037.1 Ų37.10%019%0.191CC..EExtended strand (participates in β ladder)trans-105.397.3170.9-174.90000106.7F73 I74 I75 Q76 I105 P109 I143 L345 I349F73-V107 HydrophobicContact CB-CG2 4.29Å; F73-V107 HydrophobicContact CD1-CG2 4.12Å; I74-V107 PolarHBondContact O-N 3.07Å; I75-V107 WeakPolarHBondContact CA-O 3.32Å; I75-V107 HydrophobicContact CB-CB 4.45Å; I75-V107 HydrophobicContact CG1-CB 4Å; I75-V107 HydrophobicContact CG1-CG1 4.37Å; I75-V107 HydrophobicContact CG1-CG2 4.37Å; Q76-V107 PolarHBondContact N-O 3.03Å; I105-V107 HydrophobicContact CG2-CG2 4.49Å; V107-P109 WeakPolarHBondContact O-CD 3.46Å; V107-I143 HydrophobicContact CG1-CB 4.49Å; V107-I143 HydrophobicContact CG2-CB 4.41Å; V107-I143 HydrophobicContact CG2-CD1 4.04Å; V107-L345 HydrophobicContact CG1-CD2 4.09Å; V107-I349 HydrophobicContact CG1-CD1 4.48Å; V107-I349 HydrophobicContact CG2-CD1 4.04Å; V107-I349 HydrophobicContact CG2-CG1 4.05Å
108I98.6Very high96.8Very high4 Ų437.5 Ų37.52%0.02119%0.193CC..EExtended strand (participates in β ladder)trans-122.785.9-171.4-50.9177.8000107.8L89 Y110 M134 L142 I143 T144L89-I108 HydrophobicContact CD2-CD1 3.43Å; L89-I108 VanDerWaalsContact CD2-CD1 3.43Å; L89-I108 HydrophobicContact CD2-CG1 4.29Å; I108-Y110 VanDerWaalsContact C-N 3.31Å; I108-Y110 WeakPolarHBondContact CG2-O 3.4Å; I108-Y110 PolarHBondContact O-N 3.11Å; I108-M134 HydrophobicContact CD1-CE 3.21Å; I108-M134 HydrophobicContact CD1-SD 4.24Å; I108-L142 HydrophobicContact CB-CD1 4Å; I108-L142 HydrophobicContact CD1-CD1 3.63Å; I108-L142 HydrophobicContact CG1-CD1 3.82Å; I108-I143 PolarHBondContact N-O 3.21Å; I108-T144 VanDerWaalsContact O-CA 3.3Å; I108-T144 WeakPolarHBondContact O-CA 3.43Å; I108-T144 VanDerWaalsContact O-CB 3.26Å; I108-T144 WeakPolarHBondContact O-CB 3.5Å; I108-T144 PolarHBondContact O-OG1 3.07Å
109P98.3Very high96.4Very high0 Ų038.2 Ų38.20%019%0.191CC..SBendtrans-58.9-42.1-170.1-22.932.8000112.6L34 Q76 V107 M145 H299 T323 L345L34-P109 HydrophobicContact CD2-CB 4.22Å; L34-P109 HydrophobicContact CD2-CG 3.54Å; Q76-P109 WeakPolarHBondContact O-CD 3.3Å; V107-P109 WeakPolarHBondContact O-CD 3.46Å; P109-M145 PolarHBondContact O-N 2.82Å; P109-H299 PolarHBondContact O-CE1 3.39Å; P109-H299 VanDerWaalsContact O-CE1 3.3Å; P109-T323 HydrophobicContact CB-CG2 3.74Å; P109-L345 HydrophobicContact CB-CD1 4.19Å; P109-L345 HydrophobicContact CG-CD1 3.79Å
110Y98.4Very high95.6Very high14 Ų1440.2 Ų40.26%0.05519%0.191CC..SBendtrans-110.1117.4168.6167.5-115.4000110V78 I108 P112 I271 H299 L301 I324V78-Y110 HydrophobicContact CB-CD1 3.94Å; V78-Y110 HydrophobicContact CB-CE1 4.42Å; V78-Y110 HydrophobicContact CG1-CD1 4.49Å; V78-Y110 HydrophobicContact CG1-CE1 4.49Å; V78-Y110 HydrophobicContact CG2-CD1 3.61Å; V78-Y110 HydrophobicContact CG2-CE1 4.18Å; I108-Y110 VanDerWaalsContact C-N 3.31Å; I108-Y110 WeakPolarHBondContact CG2-O 3.4Å; I108-Y110 PolarHBondContact O-N 3.11Å; Y110-P112 WeakPolarHBondContact O-CD 3.38Å; Y110-I271 HydrophobicContact CE2-CD1 3.91Å; Y110-I271 HydrophobicContact CE2-CG1 4.25Å; Y110-H299 HydrophobicContact CD2-CB 3.96Å; Y110-H299 AromaticContact CD2-CD2 3.79Å; Y110-H299 AromaticContact CD2-CG 3.55Å; Y110-H299 AromaticContact CD2-ND1 3.75Å; Y110-H299 HydrophobicContact CE2-CB 4.47Å; Y110-L301 HydrophobicContact CD1-CD1 4.33Å; Y110-L301 HydrophobicContact CD2-CD1 4.33Å; Y110-L301 HydrophobicContact CE1-CD1 3.85Å; Y110-L301 HydrophobicContact CE1-CD2 4.15Å; Y110-L301 HydrophobicContact CE1-CG 4.26Å; Y110-L301 HydrophobicContact CE2-CD1 3.85Å; Y110-I324 HydrophobicContact CD1-CD1 3.43Å; Y110-I324 VanDerWaalsContact CD1-CD1 3.43Å; Y110-I324 HydrophobicContact CD1-CG1 3.93Å; Y110-I324 HydrophobicContact CD2-CD1 4.12Å; Y110-I324 HydrophobicContact CE1-CD1 3.99Å; Y110-I324 HydrophobicContact CG-CD1 3.5Å; Y110-I324 HydrophobicContact CG-CG1 3.88Å
111F98.4Very high94.9Very high2 Ų244 Ų441%0.00920%0.2CC..  trans-79.3114.5178.6-170-108.5000111.3S114 L130 M134 L142 L147 I152 F156F111-S114 WeakPolarHBondContact O-CB 3.5Å; F111-S114 PolarHBondContact O-N 3Å; F111-S114 PolarHBondContact O-OG 3.25Å; F111-L130 HydrophobicContact CE1-CD2 4.2Å; F111-L130 HydrophobicContact CE2-CD2 4.17Å; F111-L130 HydrophobicContact CE2-CG 4.42Å; F111-L130 HydrophobicContact CZ-CB 4.41Å; F111-L130 HydrophobicContact CZ-CD2 3.76Å; F111-L130 HydrophobicContact CZ-CG 3.93Å; F111-M134 HydrophobicContact CE2-CE 4.14Å; F111-M134 HydrophobicContact CE2-SD 3.66Å; F111-M134 HydrophobicContact CZ-SD 4.26Å; F111-L142 HydrophobicContact CD2-CD2 4.46Å; F111-L147 HydrophobicContact CB-CD2 3.57Å; F111-L147 HydrophobicContact CD1-CD2 4.17Å; F111-L147 HydrophobicContact CG-CD2 3.98Å; F111-I152 HydrophobicContact CD1-CG2 4.24Å; F111-I152 HydrophobicContact CE1-CG2 4.18Å; F111-F156 HydrophobicContact CD2-CZ 4.41Å; F111-F156 HydrophobicContact CE1-CZ 4.43Å; F111-F156 HydrophobicContact CE2-CE1 4.48Å; F111-F156 HydrophobicContact CE2-CE2 4.37Å; F111-F156 AromaticContact CE2-CZ 3.56Å; F111-F156 HydrophobicContact CE2-CZ 3.56Å; F111-F156 HydrophobicContact CZ-CE2 4.17Å; F111-F156 AromaticContact CZ-CZ 3.57Å; F111-F156 HydrophobicContact CZ-CZ 3.57Å
112P97.6Very high94.2Very high8 Ų854 Ų545%0.05224%0.235CC..THydrogen-bonded Turntrans-68.6158.8-177.626-29.8000111.6V78 V82 I86 Y110 S114 L130V78-P112 HydrophobicContact CG2-CB 4.2Å; V78-P112 HydrophobicContact CG2-CG 4.27Å; V82-P112 HydrophobicContact CG2-CB 3.49Å; V82-P112 VanDerWaalsContact CG2-CB 3.49Å; V82-P112 HydrophobicContact CG2-CG 4.45Å; I86-P112 HydrophobicContact CD1-CB 4.39Å; I86-P112 HydrophobicContact CD1-CG 4.2Å; I86-P112 HydrophobicContact CG1-CG 4.05Å; Y110-P112 WeakPolarHBondContact O-CD 3.38Å; P112-S114 PolarHBondContact O-N 3.48Å; P112-L130 HydrophobicContact CB-CD2 4.43Å; P112-L130 HydrophobicContact CG-CD2 3.79Å; P112-L130 VanDerWaalsContact O-CD2 3.3Å; P112-L130 WeakPolarHBondContact O-CD2 3.49Å
113Y97.4Very high93.6Very high56 Ų5649.4 Ų49.422%0.2223%0.226CC..THydrogen-bonded Turntrans58.210.2-174.6-68.1-89.7000115.2V82 N83 I86 K115 Q116 V126 S127 L130V82-Y113 HydrophobicContact CG1-CE2 4.26Å; V82-Y113 HydrophobicContact CG2-CD2 4.46Å; V82-Y113 HydrophobicContact CG2-CE2 4.08Å; N83-Y113 PolarHBondContact OD1-OH 2.81Å; I86-Y113 HydrophobicContact CD1-CD2 3.66Å; I86-Y113 HydrophobicContact CD1-CE2 3.41Å; I86-Y113 VanDerWaalsContact CD1-CE2 3.41Å; Y113-K115 VanDerWaalsContact C-N 3.31Å; Y113-K115 PolarHBondContact O-N 2.84Å; Y113-Q116 WeakPolarHBondContact O-CA 3.23Å; Y113-Q116 WeakPolarHBondContact O-CB 3.23Å; Y113-Q116 PolarHBondContact O-N 2.8Å; Y113-V126 HydrophobicContact CD1-CB 4.09Å; Y113-V126 HydrophobicContact CD1-CG1 3.42Å; Y113-V126 VanDerWaalsContact CD1-CG1 3.42Å; Y113-V126 HydrophobicContact CE1-CG1 3.92Å; Y113-V126 HydrophobicContact CG-CG1 3.83Å; Y113-S127 WeakPolarHBondContact O-CB 3.23Å; Y113-L130 HydrophobicContact CD2-CD2 4.21Å
114S96Very high93.4Very high2 Ų252.1 Ų52.11%0.01424%0.244CC..G310 helixtrans-60.7-33.5-178.953.20000113.9F111 P112 Q116 C117F111-S114 WeakPolarHBondContact O-CB 3.5Å; F111-S114 PolarHBondContact O-N 3Å; F111-S114 PolarHBondContact O-OG 3.25Å; P112-S114 PolarHBondContact O-N 3.48Å; S114-Q116 PolarHBondContact O-N 2.89Å; S114-C117 VanDerWaalsContact O-CB 3.24Å; S114-C117 WeakPolarHBondContact O-CB 3.25Å; S114-C117 PolarHBondContact O-N 3.32Å; S114-C117 PolarHBondContact O-SG 3.49Å
115K92.9Very high93.2Very high102 Ų10255 Ų5544%0.44326%0.259SS..G310 helixtrans-62.3-23171.2-68.8174.868.3176.50113Y113 C117 I271 D273Y113-K115 VanDerWaalsContact C-N 3.31Å; Y113-K115 PolarHBondContact O-N 2.84Å; K115-C117 VanDerWaalsContact C-N 3.29Å; K115-C117 PolarHBondContact O-N 2.97Å; K115-I271 HydrophobicContact CD-CD1 4.22Å; K115-I271 HydrophobicContact CG-CD1 3.98Å; K115-D273 IonicContact NZ-OD2 3.18Å; K115-D273 PolarHBondContact NZ-OD2 3.29Å
116Q93.8Very high93.1Very high91 Ų9156 Ų5643%0.42527%0.266SS..G310 helixtrans-94.240.8177.1-55.9-174.826.800112.2Y113 S114 V126 S127Y113-Q116 WeakPolarHBondContact O-CA 3.23Å; Y113-Q116 WeakPolarHBondContact O-CB 3.23Å; Y113-Q116 PolarHBondContact O-N 2.8Å; S114-Q116 PolarHBondContact O-N 2.89Å; Q116-V126 HydrophobicContact CB-CB 4.14Å; Q116-V126 PolarHBondContact O-N 2.91Å; Q116-S127 PolarHBondContact O-N 3.45Å; Q116-S127 PolarHBondContact O-OG 3Å
117C92.4Very high93.1Very high10 Ų1056 Ų567%0.06827%0.266CS..  trans-89.6-6.7179.659.70000115.1S114 K115 I125 S127 Q149 I152 F155S114-C117 VanDerWaalsContact O-CB 3.24Å; S114-C117 WeakPolarHBondContact O-CB 3.25Å; S114-C117 PolarHBondContact O-N 3.32Å; S114-C117 PolarHBondContact O-SG 3.49Å; K115-C117 VanDerWaalsContact C-N 3.29Å; K115-C117 PolarHBondContact O-N 2.97Å; C117-I125 WeakPolarHBondContact O-CG2 3.35Å; C117-S127 VanDerWaalsContact CA-OG 3.25Å; C117-S127 WeakPolarHBondContact CA-OG 3.44Å; C117-Q149 WeakPolarHBondContact SG-CG 3.31Å; C117-I152 HydrophobicContact CB-CD1 3.75Å; C117-I152 HydrophobicContact CB-CG1 3.75Å; C117-F155 HydrophobicContact CB-CE2 4.1Å
118K89.4Confident93Very high111 Ų11160.4 Ų60.448%0.48329%0.285SS..SBendtrans-123141.5175.6-65.9175.5-174.5166.90109.1R120K118-R120 PolarHBondContact O-N 2.6Å
119M88.5Confident93Very high105 Ų10564.8 Ų64.852%0.51731%0.308SS..  trans-68123.7174.6-171.2170.870.700108.9G123 I125M119-G123 WeakPolarHBondContact CG-O 3.46Å; M119-I125 HydrophobicContact CB-CD1 4.42Å; M119-I125 HydrophobicContact CB-CG1 4.01Å
120R81.1Confident93Very high93 Ų9365 Ų6535%0.35131%0.309SS..  trans-109.7127.8174.5-58.5-63.4-169.5156.810.2108.7K118 R122 G123 D220K118-R120 PolarHBondContact O-N 2.6Å; R120-R122 PolarHBondContact O-N 2.9Å; R120-G123 WeakPolarHBondContact O-CA 3.28Å; R120-G123 PolarHBondContact O-N 3.18Å; R120-D220 IonicContact CZ-OD1 2.61Å; R120-D220 IonicContact CZ-OD2 3.02Å; R120-D220 IonicContact NE-OD1 3.92Å; R120-D220 IonicContact NH1-OD1 2.91Å; R120-D220 PolarHBondContact NH1-OD1 3.14Å; R120-D220 IonicContact NH1-OD2 3.04Å; R120-D220 IonicContact NH2-OD1 2.79Å; R120-D220 PolarHBondContact NH2-OD1 2.86Å; R120-D220 IonicContact NH2-OD2 3.76Å; R120-D220 PolarHBondContact NH2-OD2 3.06Å
121K82.6Confident93Very high139 Ų13964.3 Ų64.360%0.60431%0.306SS*.THydrogen-bonded Turntrans48.1-135.6-178.7-57.7178.4-179.6173.80111.3G123 D223K121-G123 PolarHBondContact O-N 3.43Å; K121-G123 VanDerWaalsContact O-N 3.16Å; K121-D223 WeakPolarHBondContact CA-OD2 3.16Å
122R83.7Confident93Very high230 Ų23066.6 Ų66.687%0.86832%0.323SS*.THydrogen-bonded Turntrans-84.950.8170.6-61-178.1-174.4-176.41.8111.4R120R120-R122 PolarHBondContact O-N 2.9Å
123G85.3Confident93.1Very high40 Ų4069.9 Ų69.941%0.41234%0.338SS..  trans-104.9-170.2-178.800000113.1M119 R120 K121M119-G123 WeakPolarHBondContact CG-O 3.46Å; R120-G123 WeakPolarHBondContact O-CA 3.28Å; R120-G123 PolarHBondContact O-N 3.18Å; K121-G123 PolarHBondContact O-N 3.43Å; K121-G123 VanDerWaalsContact O-N 3.16Å
124S91.8Very high93.2Very high78 Ų7867.4 Ų67.455%0.54533%0.328SS..  trans-123.9160.7176.659.80000111.1V126S124-V126 PolarHBondContact O-N 3.48Å; S124-V126 WeakPolarHBondContact OG-CG2 3.46Å
125I95.4Very high93.3Very high66 Ų6668.2 Ų68.234%0.33833%0.334SS..  trans-9184.6171.2-57177000107.4C117 M119 S127 K128 L129 F155C117-I125 WeakPolarHBondContact O-CG2 3.35Å; M119-I125 HydrophobicContact CB-CD1 4.42Å; M119-I125 HydrophobicContact CB-CG1 4.01Å; I125-S127 VanDerWaalsContact C-N 3.3Å; I125-S127 PolarHBondContact O-N 2.85Å; I125-K128 HydrophobicContact CB-CB 4.31Å; I125-K128 HydrophobicContact CG2-CB 3.79Å; I125-K128 PolarHBondContact O-N 3.33Å; I125-K128 VanDerWaalsContact O-N 3.16Å; I125-L129 PolarHBondContact O-N 2.88Å; I125-F155 HydrophobicContact CG2-CE2 3.95Å; I125-F155 HydrophobicContact CG2-CZ 3.96Å
126V96.9Very high93.5Very high26 Ų2671.5 Ų71.516%0.15835%0.348CS..Hα-helixtrans-66.8-32.3-172.6-178.10000111.8Y113 Q116 S124 K128 L129 L130Y113-V126 HydrophobicContact CD1-CB 4.09Å; Y113-V126 HydrophobicContact CD1-CG1 3.42Å; Y113-V126 VanDerWaalsContact CD1-CG1 3.42Å; Y113-V126 HydrophobicContact CE1-CG1 3.92Å; Y113-V126 HydrophobicContact CG-CG1 3.83Å; Q116-V126 HydrophobicContact CB-CB 4.14Å; Q116-V126 PolarHBondContact O-N 2.91Å; S124-V126 PolarHBondContact O-N 3.48Å; S124-V126 WeakPolarHBondContact OG-CG2 3.46Å; V126-K128 PolarHBondContact O-N 2.84Å; V126-L129 WeakPolarHBondContact O-CB 3.25Å; V126-L129 PolarHBondContact O-N 3.28Å; V126-L129 VanDerWaalsContact O-N 3.11Å; V126-L130 PolarHBondContact O-N 2.81Å
127S97.3Very high93.8Very high0 Ų067.8 Ų67.80%033%0.333CS..Hα-helixtrans-60.1-34.217568.50000112.3Y113 Q116 C117 I125 A131 F155Y113-S127 WeakPolarHBondContact O-CB 3.23Å; Q116-S127 PolarHBondContact O-N 3.45Å; Q116-S127 PolarHBondContact O-OG 3Å; C117-S127 VanDerWaalsContact CA-OG 3.25Å; C117-S127 WeakPolarHBondContact CA-OG 3.44Å; I125-S127 VanDerWaalsContact C-N 3.3Å; I125-S127 PolarHBondContact O-N 2.85Å; S127-A131 WeakPolarHBondContact O-CB 3.29Å; S127-A131 PolarHBondContact O-N 3.29Å; S127-F155 WeakPolarHBondContact OG-CD2 3.08Å; S127-F155 WeakPolarHBondContact OG-CE2 3.36Å
128K98Very high94.1Very high91 Ų9167.8 Ų67.840%0.39634%0.335SS..Hα-helixtrans-71.9-39.3175.317357.4-171.9-81.50111.6I125 V126 L130 A131 S132 F155I125-K128 HydrophobicContact CB-CB 4.31Å; I125-K128 HydrophobicContact CG2-CB 3.79Å; I125-K128 PolarHBondContact O-N 3.33Å; I125-K128 VanDerWaalsContact O-N 3.16Å; V126-K128 PolarHBondContact O-N 2.84Å; K128-L130 VanDerWaalsContact C-N 3.33Å; K128-A131 PolarHBondContact O-N 3.31Å; K128-S132 WeakPolarHBondContact CE-OG 3.35Å; K128-S132 WeakPolarHBondContact O-CB 3.34Å; K128-S132 PolarHBondContact O-N 3.1Å; K128-S132 PolarHBondContact O-OG 3.01Å; K128-F155 HydrophobicContact CB-CB 4.44Å; K128-F155 HydrophobicContact CB-CD1 4.35Å; K128-F155 HydrophobicContact CB-CD2 3.99Å; K128-F155 HydrophobicContact CB-CE2 4.34Å; K128-F155 HydrophobicContact CB-CG 4.01Å; K128-F155 HydrophobicContact CD-CB 3.64Å; K128-F155 HydrophobicContact CD-CD1 4.07Å; K128-F155 HydrophobicContact CD-CG 3.89Å; K128-F155 HydrophobicContact CG-CG 4.48Å
129L98.4Very high94.5Very high97 Ų9762.8 Ų62.851%0.50831%0.313SS..Hα-helixtrans-58.2-49.1172.5172.762.7000110.1I125 V126 S132 M133I125-L129 PolarHBondContact O-N 2.88Å; V126-L129 WeakPolarHBondContact O-CB 3.25Å; V126-L129 PolarHBondContact O-N 3.28Å; V126-L129 VanDerWaalsContact O-N 3.11Å; L129-S132 WeakPolarHBondContact O-CB 3.23Å; L129-S132 PolarHBondContact O-N 3.32Å; L129-S132 VanDerWaalsContact O-N 3.14Å; L129-M133 HydrophobicContact CD1-CG 4.29Å; L129-M133 HydrophobicContact CD1-SD 4.43Å; L129-M133 HydrophobicContact CG-CE 4.17Å; L129-M133 HydrophobicContact CG-SD 4.39Å; L129-M133 WeakPolarHBondContact O-CG 3.44Å; L129-M133 PolarHBondContact O-N 2.84Å
130L98.5Very high95Very high3 Ų360.5 Ų60.52%0.01631%0.305CS..Hα-helixtrans-59.1-48.3178.3179.359.1000112.6I86 F111 P112 Y113 V126 K128 S132 M133 M134I86-L130 HydrophobicContact CD1-CD1 4.05Å; I86-L130 HydrophobicContact CD1-CD2 4.19Å; I86-L130 HydrophobicContact CG1-CD1 4.11Å; I86-L130 HydrophobicContact CG2-CD1 3.66Å; F111-L130 HydrophobicContact CE1-CD2 4.2Å; F111-L130 HydrophobicContact CE2-CD2 4.17Å; F111-L130 HydrophobicContact CE2-CG 4.42Å; F111-L130 HydrophobicContact CZ-CB 4.41Å; F111-L130 HydrophobicContact CZ-CD2 3.76Å; F111-L130 HydrophobicContact CZ-CG 3.93Å; P112-L130 HydrophobicContact CB-CD2 4.43Å; P112-L130 HydrophobicContact CG-CD2 3.79Å; P112-L130 VanDerWaalsContact O-CD2 3.3Å; P112-L130 WeakPolarHBondContact O-CD2 3.49Å; Y113-L130 HydrophobicContact CD2-CD2 4.21Å; V126-L130 PolarHBondContact O-N 2.81Å; K128-L130 VanDerWaalsContact C-N 3.33Å; L130-S132 VanDerWaalsContact C-N 3.26Å; L130-S132 PolarHBondContact O-N 3.09Å; L130-M133 HydrophobicContact CB-CE 4.34Å; L130-M133 HydrophobicContact CD1-CE 3.92Å; L130-M133 PolarHBondContact O-N 2.81Å; L130-M133 VanDerWaalsContact O-N 3.17Å; L130-M134 HydrophobicContact CD1-CG 4.3Å; L130-M134 HydrophobicContact CD1-SD 4.15Å; L130-M134 HydrophobicContact CG-SD 4.04Å; L130-M134 WeakPolarHBondContact O-CG 3.38Å; L130-M134 PolarHBondContact O-N 2.77Å
131A98.6Very high95.8Very high0 Ų057.6 Ų57.60%030%0.296CS..Hα-helixtrans-55.4-43.9174.600000111.5S127 K128 M133 M134 C135 F155 F156S127-A131 WeakPolarHBondContact O-CB 3.29Å; S127-A131 PolarHBondContact O-N 3.29Å; K128-A131 PolarHBondContact O-N 3.31Å; A131-M133 PolarHBondContact O-N 3.16Å; A131-M134 PolarHBondContact O-N 2.83Å; A131-C135 PolarHBondContact O-N 2.78Å; A131-C135 PolarHBondContact O-SG 3.4Å; A131-F155 HydrophobicContact CB-CB 3.94Å; A131-F156 HydrophobicContact CB-CD1 3.89Å; A131-F156 HydrophobicContact CB-CD2 4.04Å; A131-F156 HydrophobicContact CB-CE1 3.58Å; A131-F156 HydrophobicContact CB-CE2 3.74Å; A131-F156 HydrophobicContact CB-CG 4.1Å; A131-F156 HydrophobicContact CB-CZ 3.5Å
132S98.6Very high96.6Very high51 Ų5151 Ų5136%0.35727%0.267SS..Hα-helixtrans-64.3-40.5179-53.40000112.3K128 L129 L130 K136K128-S132 WeakPolarHBondContact CE-OG 3.35Å; K128-S132 WeakPolarHBondContact O-CB 3.34Å; K128-S132 PolarHBondContact O-N 3.1Å; K128-S132 PolarHBondContact O-OG 3.01Å; L129-S132 WeakPolarHBondContact O-CB 3.23Å; L129-S132 PolarHBondContact O-N 3.32Å; L129-S132 VanDerWaalsContact O-N 3.14Å; L130-S132 VanDerWaalsContact C-N 3.26Å; L130-S132 PolarHBondContact O-N 3.09Å; S132-K136 VanDerWaalsContact O-CB 3.27Å; S132-K136 WeakPolarHBondContact O-CB 3.22Å; S132-K136 PolarHBondContact O-N 2.83Å
133M98.7Very high97.3Very high76 Ų7640 Ų4037%0.37423%0.226SC..Hα-helixtrans-64.4-43176.2-69-173-60.700111.7L90 L129 L130 A131 K136 A137L90-M133 HydrophobicContact CD1-CB 4.29Å; L90-M133 HydrophobicContact CD2-CB 4.27Å; L129-M133 HydrophobicContact CD1-CG 4.29Å; L129-M133 HydrophobicContact CD1-SD 4.43Å; L129-M133 HydrophobicContact CG-CE 4.17Å; L129-M133 HydrophobicContact CG-SD 4.39Å; L129-M133 WeakPolarHBondContact O-CG 3.44Å; L129-M133 PolarHBondContact O-N 2.84Å; L130-M133 HydrophobicContact CB-CE 4.34Å; L130-M133 HydrophobicContact CD1-CE 3.92Å; L130-M133 PolarHBondContact O-N 2.81Å; L130-M133 VanDerWaalsContact O-N 3.17Å; A131-M133 PolarHBondContact O-N 3.16Å; M133-K136 PolarHBondContact O-N 3.45Å; M133-A137 WeakPolarHBondContact O-CB 3.27Å; M133-A137 PolarHBondContact O-N 3.35Å
134M98.6Very high97.9Very high4 Ų438.1 Ų38.12%0.0221%0.206CC..Hα-helixtrans-64.3-46.5178.1-69169.454.500112.1L89 L90 I108 F111 L130 A131 K136 A137 G138 L139 L142 F156L89-M134 HydrophobicContact CD2-CE 4.28Å; L89-M134 HydrophobicContact CD2-SD 4.46Å; L90-M134 HydrophobicContact CD2-CB 4.37Å; L90-M134 HydrophobicContact CD2-CG 3.85Å; I108-M134 HydrophobicContact CD1-CE 3.21Å; I108-M134 HydrophobicContact CD1-SD 4.24Å; F111-M134 HydrophobicContact CE2-CE 4.14Å; F111-M134 HydrophobicContact CE2-SD 3.66Å; F111-M134 HydrophobicContact CZ-SD 4.26Å; L130-M134 HydrophobicContact CD1-CG 4.3Å; L130-M134 HydrophobicContact CD1-SD 4.15Å; L130-M134 HydrophobicContact CG-SD 4.04Å; L130-M134 WeakPolarHBondContact O-CG 3.38Å; L130-M134 PolarHBondContact O-N 2.77Å; A131-M134 PolarHBondContact O-N 2.83Å; M134-K136 VanDerWaalsContact C-N 3.3Å; M134-K136 PolarHBondContact O-N 2.9Å; M134-A137 PolarHBondContact O-N 3.47Å; M134-G138 PolarHBondContact O-N 3.48Å; M134-L139 HydrophobicContact CB-CD2 4.28Å; M134-L139 HydrophobicContact CE-CD2 3.45Å; M134-L139 VanDerWaalsContact CE-CD2 3.45Å; M134-L139 WeakPolarHBondContact O-CB 3.49Å; M134-L139 PolarHBondContact O-N 3.49Å; M134-L139 VanDerWaalsContact O-N 3.15Å; M134-L142 HydrophobicContact CE-CD1 4.15Å; M134-F156 HydrophobicContact CE-CE1 4.14Å; M134-F156 HydrophobicContact SD-CE1 4.44Å
135C98.4Very high98.2Very high20 Ų2034.4 Ų34.414%0.13518%0.18CC..Hα-helixtrans-58.1-43.1172.6-68.20000111.3A131 G138 N157A131-C135 PolarHBondContact O-N 2.78Å; A131-C135 PolarHBondContact O-SG 3.4Å; C135-G138 PolarHBondContact O-N 2.78Å; C135-N157 WeakPolarHBondContact CB-OD1 3.5Å; C135-N157 PolarHBondContact SG-OD1 3.31Å
136K98.6Very high98.2Very high171 Ų17131.3 Ų31.374%0.74316%0.164SC*.Hα-helixtrans-67.2-39.4-179.9-174.660.3176.8-177.10112.7S132 M133 M134 G138S132-K136 VanDerWaalsContact O-CB 3.27Å; S132-K136 WeakPolarHBondContact O-CB 3.22Å; S132-K136 PolarHBondContact O-N 2.83Å; M133-K136 PolarHBondContact O-N 3.45Å; M134-K136 VanDerWaalsContact C-N 3.3Å; M134-K136 PolarHBondContact O-N 2.9Å; K136-G138 PolarHBondContact O-N 2.87Å
137A98.5Very high98.2Very high13 Ų1330.3 Ų30.311%0.10716%0.158CC..Hα-helixtrans-59.1-34.4176.300000111.6L90 V93 K97 M133 M134L90-A137 HydrophobicContact CD2-CB 3.86Å; V93-A137 HydrophobicContact CB-CB 4.36Å; V93-A137 HydrophobicContact CG1-CB 3.9Å; K97-A137 VanDerWaalsContact CD-O 3.29Å; K97-A137 WeakPolarHBondContact CD-O 3.4Å; M133-A137 WeakPolarHBondContact O-CB 3.27Å; M133-A137 PolarHBondContact O-N 3.35Å; M134-A137 PolarHBondContact O-N 3.47Å
138G98.3Very high98.1Very high9 Ų932.6 Ų32.69%0.09317%0.168CC..THydrogen-bonded Turntrans136.98.7175.900000115.8M134 C135 K136 T140M134-G138 PolarHBondContact O-N 3.48Å; C135-G138 PolarHBondContact O-N 2.78Å; K136-G138 PolarHBondContact O-N 2.87Å; G138-T140 PolarHBondContact O-N 3.25Å
139L98.5Very high97.9Very high6 Ų630.8 Ų30.83%0.03116%0.161CC..  trans-62.9135.8179.6-150.668.7000110.2V93 I104 M134 L142 I158V93-L139 HydrophobicContact CG1-CB 4.42Å; V93-L139 HydrophobicContact CG1-CD1 4.26Å; V93-L139 HydrophobicContact CG2-CD1 3.74Å; I104-L139 HydrophobicContact CG2-CD1 4.17Å; M134-L139 HydrophobicContact CB-CD2 4.28Å; M134-L139 HydrophobicContact CE-CD2 3.45Å; M134-L139 VanDerWaalsContact CE-CD2 3.45Å; M134-L139 WeakPolarHBondContact O-CB 3.49Å; M134-L139 PolarHBondContact O-N 3.49Å; M134-L139 VanDerWaalsContact O-N 3.15Å; L139-L142 HydrophobicContact CD2-CB 4.42Å; L139-L142 HydrophobicContact CD2-CD1 4.41Å; L139-I158 HydrophobicContact CB-CD1 3.96Å; L139-I158 HydrophobicContact CD2-CD1 4.12Å; L139-I158 HydrophobicContact CG-CD1 4.1Å
140T98.6Very high97.6Very high58 Ų5829.6 Ų29.636%0.35615%0.152SC..  trans-109.4-23.1-17761.50000113I104 G138I104-T140 VanDerWaalsContact C-OG1 3.3Å; I104-T140 PolarHBondContact N-OG1 3.23Å; I104-T140 PolarHBondContact O-N 3.16Å; I104-T140 PolarHBondContact O-OG1 3.39Å; G138-T140 PolarHBondContact O-N 3.25Å
141H98.7Very high97.4Very high32 Ų3234.9 Ų34.915%0.14818%0.177CC..EExtended strand (participates in β ladder)trans-154146.5177.2-157.2152.2000108.2I104 I105 G106 P159 D161I104-H141 PolarHBondContact O-N 2.7Å; I105-H141 CarbonylContact C-O 3.59Å; I105-H141 WeakPolarHBondContact CA-O 3.4Å; I105-H141 HydrophobicContact CB-CB 4.38Å; I105-H141 HydrophobicContact CG1-CB 3.9Å; I105-H141 HydrophobicContact CG2-CB 4.11Å; G106-H141 PolarHBondContact N-O 3.4Å; H141-P159 PolarHBondContact CD2-O 3.32Å; H141-D161 IonicContact CE1-OD2 3.53Å; H141-D161 PolarHBondContact CE1-OD2 3.22Å; H141-D161 IonicContact NE2-OD2 2.78Å; H141-D161 PolarHBondContact NE2-OD2 2.92Å
142L98.7Very high97.4Very high0 Ų034.9 Ų34.90%018%0.177CC..EExtended strand (participates in β ladder)trans-116.9129.2170177.465.4000111.3G106 I108 F111 M134 L139 T144 F156 P159 V160 D161G106-L142 CarbonylContact O-C 3.58Å; G106-L142 WeakPolarHBondContact O-CA 3.45Å; I108-L142 HydrophobicContact CB-CD1 4Å; I108-L142 HydrophobicContact CD1-CD1 3.63Å; I108-L142 HydrophobicContact CG1-CD1 3.82Å; F111-L142 HydrophobicContact CD2-CD2 4.46Å; M134-L142 HydrophobicContact CE-CD1 4.15Å; L139-L142 HydrophobicContact CD2-CB 4.42Å; L139-L142 HydrophobicContact CD2-CD1 4.41Å; L142-T144 HydrophobicContact CD2-CG2 4.43Å; L142-F156 HydrophobicContact CD2-CD1 4.35Å; L142-F156 HydrophobicContact CD2-CD2 4.33Å; L142-F156 HydrophobicContact CD2-CE1 3.74Å; L142-F156 HydrophobicContact CD2-CE2 3.71Å; L142-F156 HydrophobicContact CD2-CZ 3.38Å; L142-P159 PolarHBondContact N-O 2.9Å; L142-V160 HydrophobicContact CB-CG1 4.27Å; L142-V160 HydrophobicContact CB-CG2 4.23Å; L142-V160 HydrophobicContact CD2-CG1 4Å; L142-V160 HydrophobicContact CD2-CG2 4.42Å; L142-V160 HydrophobicContact CG-CG1 4.23Å; L142-V160 CarbonylContact O-C 3.57Å; L142-V160 WeakPolarHBondContact O-CA 3.25Å; L142-D161 PolarHBondContact O-N 3.4Å
143I98.6Very high97.3Very high0 Ų035.9 Ų35.90%018%0.176CC..EExtended strand (participates in β ladder)trans-103.7126.9161-52.8177.2000107.2F73 I105 G106 V107 I108 L163 L345 A348 I349 I352F73-I143 HydrophobicContact CE1-CD1 4.49Å; I105-I143 HydrophobicContact CG2-CD1 4.09Å; I105-I143 HydrophobicContact CG2-CG1 3.93Å; G106-I143 PolarHBondContact O-N 3.47Å; V107-I143 HydrophobicContact CG1-CB 4.49Å; V107-I143 HydrophobicContact CG2-CB 4.41Å; V107-I143 HydrophobicContact CG2-CD1 4.04Å; I108-I143 PolarHBondContact N-O 3.21Å; I143-L163 HydrophobicContact CG2-CD1 3.65Å; I143-L163 HydrophobicContact CG2-CG 4.1Å; I143-L345 HydrophobicContact CG2-CD2 4.17Å; I143-A348 HydrophobicContact CD1-CB 4.16Å; I143-A348 HydrophobicContact CG2-CB 4.18Å; I143-I349 HydrophobicContact CD1-CG1 3.92Å; I143-I352 HydrophobicContact CD1-CD1 3.44Å; I143-I352 VanDerWaalsContact CD1-CD1 3.44Å; I143-I352 HydrophobicContact CG1-CD1 3.56Å
144T98.6Very high97.3Very high0 Ų035.4 Ų35.40%019%0.19CC..EExtended strand (participates in β ladder)trans-142.9174176.8-167.20000109.7I108 L142 L147 V160 D161 N162 L163I108-T144 VanDerWaalsContact O-CA 3.3Å; I108-T144 WeakPolarHBondContact O-CA 3.43Å; I108-T144 VanDerWaalsContact O-CB 3.26Å; I108-T144 WeakPolarHBondContact O-CB 3.5Å; I108-T144 PolarHBondContact O-OG1 3.07Å; L142-T144 HydrophobicContact CD2-CG2 4.43Å; T144-L147 HydrophobicContact CG2-CD1 3.88Å; T144-L147 HydrophobicContact CG2-CD2 3.84Å; T144-L147 HydrophobicContact CG2-CG 3.64Å; T144-V160 HydrophobicContact CG2-CG1 4.19Å; T144-D161 PolarHBondContact N-O 3.27Å; T144-D161 VanDerWaalsContact O-O 3.09Å; T144-N162 HydrophobicContact CG2-CB 4.3Å; T144-L163 WeakPolarHBondContact O-CB 3.33Å; T144-L163 WeakPolarHBondContact O-CG 3.48Å; T144-L163 PolarHBondContact O-N 2.74Å
145M97.6Very high97.3Very high0 Ų037.4 Ų37.40%020%0.199CC..EExtended strand (participates in β ladder)trans-132.9136.7178.8-164.2166.863.400110.7P109 L147 L163 A165 T298 H299 T321 T323 I341 I344P109-M145 PolarHBondContact O-N 2.82Å; M145-L147 PolarHBondContact O-N 3.15Å; M145-L163 WeakPolarHBondContact CA-O 3.45Å; M145-L163 HydrophobicContact CB-CB 4.38Å; M145-L163 HydrophobicContact CG-CB 4.11Å; M145-L163 WeakPolarHBondContact CG-O 3.46Å; M145-A165 HydrophobicContact CE-CB 3.9Å; M145-A165 HydrophobicContact CG-CB 4.49Å; M145-A165 HydrophobicContact SD-CB 3.87Å; M145-T298 HydrophobicContact CE-CG2 3.59Å; M145-T298 HydrophobicContact CG-CG2 4.35Å; M145-H299 PolarHBondContact O-CE1 2.8Å; M145-H299 PolarHBondContact O-NE2 2.77Å; M145-H299 VanDerWaalsContact O-NE2 3.09Å; M145-T321 HydrophobicContact CE-CG2 4.44Å; M145-T323 HydrophobicContact CE-CG2 3.02Å; M145-I341 HydrophobicContact CE-CB 3.96Å; M145-I341 HydrophobicContact CE-CD1 4.26Å; M145-I341 HydrophobicContact CE-CG1 3.59Å; M145-I341 HydrophobicContact CE-CG2 3.97Å; M145-I341 HydrophobicContact SD-CB 4.28Å; M145-I341 HydrophobicContact SD-CG1 4.47Å; M145-I341 HydrophobicContact SD-CG2 4.3Å; M145-I344 HydrophobicContact SD-CG2 4.17Å
146D96.3Very high97.3Very high1 Ų137.2 Ų37.21%0.00520%0.196CC..SBendtrans40.758.3176.9-73.3-45.8000115H148 N162 L163 R164 A165 R195 T298 H299D146-H148 PolarHBondContact O-N 3.27Å; D146-N162 PolarHBondContact N-OD1 3.3Å; D146-L163 PolarHBondContact N-O 3.44Å; D146-R164 WeakPolarHBondContact OD1-CD 3.35Å; D146-R164 IonicContact OD1-CZ 2.93Å; D146-R164 IonicContact OD1-NE 3.04Å; D146-R164 IonicContact OD1-NH1 3.81Å; D146-R164 PolarHBondContact OD1-NH1 3.32Å; D146-R164 VanDerWaalsContact OD1-NH1 3.12Å; D146-A165 WeakPolarHBondContact OD2-CB 3.46Å; D146-A165 PolarHBondContact OD2-N 3.47Å; D146-R195 IonicContact OD1-NH1 3.35Å; D146-T298 HydrophobicContact CB-CG2 3.88Å; D146-T298 WeakPolarHBondContact OD2-CG2 3.47Å; D146-T298 PolarHBondContact OD2-OG1 3.47Å; D146-H299 PolarHBondContact O-NE2 2.85Å
147L97Very high97.2Very high4 Ų435.5 Ų35.52%0.02120%0.195CC..  trans-47.1132.6170.8-73171.5000111.8F111 T144 M145 Q149 I152 Q153 N162F111-L147 HydrophobicContact CB-CD2 3.57Å; F111-L147 HydrophobicContact CD1-CD2 4.17Å; F111-L147 HydrophobicContact CG-CD2 3.98Å; T144-L147 HydrophobicContact CG2-CD1 3.88Å; T144-L147 HydrophobicContact CG2-CD2 3.84Å; T144-L147 HydrophobicContact CG2-CG 3.64Å; M145-L147 PolarHBondContact O-N 3.15Å; L147-Q149 PolarHBondContact O-N 2.93Å; L147-I152 HydrophobicContact CD1-CB 4.15Å; L147-I152 HydrophobicContact CD1-CG2 4.23Å; L147-I152 HydrophobicContact CD2-CB 4.47Å; L147-I152 HydrophobicContact CD2-CG2 4.06Å; L147-Q153 HydrophobicContact CD1-CG 3.66Å; L147-N162 HydrophobicContact CD1-CB 4.06Å; L147-N162 HydrophobicContact CG-CB 4.49Å; L147-N162 WeakPolarHBondContact CG-OD1 3.44Å; L147-N162 PolarHBondContact N-OD1 3.2Å
148H94.8Very high97.2Very high48 Ų4836.4 Ų36.422%0.22220%0.197CC..SBendtrans-48.9-38.3-177.8-176.463000113.7D146 I152 D270 I271D146-H148 PolarHBondContact O-N 3.27Å; H148-I152 HydrophobicContact CB-CD1 4.46Å; H148-D270 VanDerWaalsContact CA-OD2 3.24Å; H148-D270 WeakPolarHBondContact CA-OD2 3.16Å; H148-D270 WeakPolarHBondContact CB-OD2 3.47Å; H148-D270 IonicContact CE1-OD1 3.5Å; H148-D270 IonicContact CE1-OD2 3.88Å; H148-D270 IonicContact CG-OD2 2.79Å; H148-D270 IonicContact ND1-OD1 3.21Å; H148-D270 PolarHBondContact ND1-OD1 3.42Å; H148-D270 IonicContact ND1-OD2 3.5Å; H148-D270 PolarHBondContact ND1-OD2 2.94Å; H148-I271 HydrophobicContact CB-CD1 4.26Å
149Q92.8Very high97.2Very high54 Ų5439.7 Ų39.725%0.25222%0.217SC..SBendtrans-131.1130166-61.3-70.4-82.900107.7C117 L147 E151 I152C117-Q149 WeakPolarHBondContact SG-CG 3.31Å; L147-Q149 PolarHBondContact O-N 2.93Å; Q149-E151 WeakPolarHBondContact CB-OE2 3.44Å; Q149-E151 PolarHBondContact O-N 3.48Å; Q149-E151 VanDerWaalsContact O-N 3.14Å; Q149-I152 HydrophobicContact CB-CD1 4.31Å; Q149-I152 HydrophobicContact CB-CG1 4.29Å; Q149-I152 VanDerWaalsContact O-CB 3.29Å; Q149-I152 WeakPolarHBondContact O-CB 3.4Å; Q149-I152 WeakPolarHBondContact O-CD1 3.47Å; Q149-I152 VanDerWaalsContact O-CG1 3.23Å; Q149-I152 WeakPolarHBondContact O-CG1 3.3Å; Q149-I152 PolarHBondContact O-N 3.15Å
150K92.8Very high97.2Very high72 Ų7240.4 Ų40.431%0.31322%0.222SC..G310 helixtrans-62-24.6-177.564.7-176.6177.1-172.30112.9I152 Q153 L367K150-I152 PolarHBondContact O-N 3.46Å; K150-Q153 WeakPolarHBondContact O-CB 3.39Å; K150-Q153 WeakPolarHBondContact O-CG 3.39Å; K150-Q153 PolarHBondContact O-N 3.24Å; K150-Q153 PolarHBondContact O-NE2 3.16Å; K150-L367 PolarHBondContact NZ-O 3.21Å
151E95.1Very high97.1Very high113 Ų11338.9 Ų38.953%0.52821%0.211SC..G310 helixtrans-65-18.6177.4-62.473.4-161.300112.7Q149 Q153 G154Q149-E151 WeakPolarHBondContact CB-OE2 3.44Å; Q149-E151 PolarHBondContact O-N 3.48Å; Q149-E151 VanDerWaalsContact O-N 3.14Å; E151-Q153 PolarHBondContact O-N 3.31Å; E151-Q153 VanDerWaalsContact O-N 3.13Å; E151-G154 PolarHBondContact O-N 3.15Å
152I97.3Very high97Very high1 Ų137.7 Ų37.71%0.00521%0.206CC..G310 helixtrans-57.4-26.6173.6-65.8169000111.1F111 C117 L147 H148 Q149 K150 G154 F155 F156F111-I152 HydrophobicContact CD1-CG2 4.24Å; F111-I152 HydrophobicContact CE1-CG2 4.18Å; C117-I152 HydrophobicContact CB-CD1 3.75Å; C117-I152 HydrophobicContact CB-CG1 3.75Å; L147-I152 HydrophobicContact CD1-CB 4.15Å; L147-I152 HydrophobicContact CD1-CG2 4.23Å; L147-I152 HydrophobicContact CD2-CB 4.47Å; L147-I152 HydrophobicContact CD2-CG2 4.06Å; H148-I152 HydrophobicContact CB-CD1 4.46Å; Q149-I152 HydrophobicContact CB-CD1 4.31Å; Q149-I152 HydrophobicContact CB-CG1 4.29Å; Q149-I152 VanDerWaalsContact O-CB 3.29Å; Q149-I152 WeakPolarHBondContact O-CB 3.4Å; Q149-I152 WeakPolarHBondContact O-CD1 3.47Å; Q149-I152 VanDerWaalsContact O-CG1 3.23Å; Q149-I152 WeakPolarHBondContact O-CG1 3.3Å; Q149-I152 PolarHBondContact O-N 3.15Å; K150-I152 PolarHBondContact O-N 3.46Å; I152-G154 PolarHBondContact O-N 3.05Å; I152-F155 HydrophobicContact CB-CD2 4.22Å; I152-F155 HydrophobicContact CB-CE2 4.42Å; I152-F155 HydrophobicContact CG1-CD2 4.23Å; I152-F155 HydrophobicContact CG1-CE2 3.97Å; I152-F155 HydrophobicContact CG2-CD2 4Å; I152-F155 VanDerWaalsContact O-CB 3.26Å; I152-F155 WeakPolarHBondContact O-CB 3.46Å; I152-F155 PolarHBondContact O-N 3.41Å; I152-F156 HydrophobicContact CG2-CE2 4.27Å
153Q97.1Very high96.9Very high72 Ų7237.7 Ų37.734%0.33621%0.206SC..G310 helixtrans-54.2-37.4172.4-68.2173.583.900111.9L147 K150 E151 F155 F156 V160 N162L147-Q153 HydrophobicContact CD1-CG 3.66Å; K150-Q153 WeakPolarHBondContact O-CB 3.39Å; K150-Q153 WeakPolarHBondContact O-CG 3.39Å; K150-Q153 PolarHBondContact O-N 3.24Å; K150-Q153 PolarHBondContact O-NE2 3.16Å; E151-Q153 PolarHBondContact O-N 3.31Å; E151-Q153 VanDerWaalsContact O-N 3.13Å; Q153-F155 PolarHBondContact O-N 3.33Å; Q153-F156 PolarHBondContact O-N 3.38Å; Q153-V160 HydrophobicContact CB-CB 4.48Å; Q153-V160 HydrophobicContact CG-CB 4.28Å; Q153-V160 HydrophobicContact CG-CG1 4.01Å; Q153-N162 HydrophobicContact CG-CB 4.1Å
154G97.9Very high96.7Very high65 Ų6538.6 Ų38.667%0.6721%0.209SC*.G310 helixtrans-73.2-4.2177.200000114.8E151 I152 F156E151-G154 PolarHBondContact O-N 3.15Å; I152-G154 PolarHBondContact O-N 3.05Å; G154-F156 VanDerWaalsContact C-N 3.33Å
155F98.3Very high96.5Very high47 Ų4738.6 Ų38.621%0.20621%0.209CC..G310 helixtrans-78.7-21.1172.2-65.1-14.3000112.8C117 I125 S127 K128 A131 I152 Q153C117-F155 HydrophobicContact CB-CE2 4.1Å; I125-F155 HydrophobicContact CG2-CE2 3.95Å; I125-F155 HydrophobicContact CG2-CZ 3.96Å; S127-F155 WeakPolarHBondContact OG-CD2 3.08Å; S127-F155 WeakPolarHBondContact OG-CE2 3.36Å; K128-F155 HydrophobicContact CB-CB 4.44Å; K128-F155 HydrophobicContact CB-CD1 4.35Å; K128-F155 HydrophobicContact CB-CD2 3.99Å; K128-F155 HydrophobicContact CB-CE2 4.34Å; K128-F155 HydrophobicContact CB-CG 4.01Å; K128-F155 HydrophobicContact CD-CB 3.64Å; K128-F155 HydrophobicContact CD-CD1 4.07Å; K128-F155 HydrophobicContact CD-CG 3.89Å; K128-F155 HydrophobicContact CG-CG 4.48Å; A131-F155 HydrophobicContact CB-CB 3.94Å; I152-F155 HydrophobicContact CB-CD2 4.22Å; I152-F155 HydrophobicContact CB-CE2 4.42Å; I152-F155 HydrophobicContact CG1-CD2 4.23Å; I152-F155 HydrophobicContact CG1-CE2 3.97Å; I152-F155 HydrophobicContact CG2-CD2 4Å; I152-F155 VanDerWaalsContact O-CB 3.26Å; I152-F155 WeakPolarHBondContact O-CB 3.46Å; I152-F155 PolarHBondContact O-N 3.41Å; Q153-F155 PolarHBondContact O-N 3.33Å
156F98.4Very high96.3Very high16 Ų1638.6 Ų38.67%0.0721%0.21CC..  trans-89.4145.4177.1-65.8-91.4000110.6F111 A131 M134 L142 I152 Q153 G154 I158 V160F111-F156 HydrophobicContact CD2-CZ 4.41Å; F111-F156 HydrophobicContact CE1-CZ 4.43Å; F111-F156 HydrophobicContact CE2-CE1 4.48Å; F111-F156 HydrophobicContact CE2-CE2 4.37Å; F111-F156 AromaticContact CE2-CZ 3.56Å; F111-F156 HydrophobicContact CE2-CZ 3.56Å; F111-F156 HydrophobicContact CZ-CE2 4.17Å; F111-F156 AromaticContact CZ-CZ 3.57Å; F111-F156 HydrophobicContact CZ-CZ 3.57Å; A131-F156 HydrophobicContact CB-CD1 3.89Å; A131-F156 HydrophobicContact CB-CD2 4.04Å; A131-F156 HydrophobicContact CB-CE1 3.58Å; A131-F156 HydrophobicContact CB-CE2 3.74Å; A131-F156 HydrophobicContact CB-CG 4.1Å; A131-F156 HydrophobicContact CB-CZ 3.5Å; M134-F156 HydrophobicContact CE-CE1 4.14Å; M134-F156 HydrophobicContact SD-CE1 4.44Å; L142-F156 HydrophobicContact CD2-CD1 4.35Å; L142-F156 HydrophobicContact CD2-CD2 4.33Å; L142-F156 HydrophobicContact CD2-CE1 3.74Å; L142-F156 HydrophobicContact CD2-CE2 3.71Å; L142-F156 HydrophobicContact CD2-CZ 3.38Å; I152-F156 HydrophobicContact CG2-CE2 4.27Å; Q153-F156 PolarHBondContact O-N 3.38Å; G154-F156 VanDerWaalsContact C-N 3.33Å; F156-I158 VanDerWaalsContact C-N 3.33Å; F156-I158 HydrophobicContact CB-CG1 3.98Å; F156-I158 HydrophobicContact CD1-CD1 4.24Å; F156-I158 HydrophobicContact CD1-CG1 4.12Å; F156-I158 HydrophobicContact CG-CG1 4.48Å; F156-V160 HydrophobicContact CB-CG2 3.6Å; F156-V160 HydrophobicContact CD1-CG2 4.48Å; F156-V160 HydrophobicContact CD2-CG2 3.74Å; F156-V160 HydrophobicContact CG-CG2 3.68Å
157N97.1Very high96.2Very high135 Ų13540.8 Ų40.872%0.72222%0.224SC*.SBendtrans-100.216169.964.9-2.4000112.2C135C135-N157 WeakPolarHBondContact CB-OD1 3.5Å; C135-N157 PolarHBondContact SG-OD1 3.31Å
158I98.4Very high96.1Very high31 Ų3143 Ų4316%0.15923%0.233CC..SBendtrans-125.5159.7178.856.3175.1000108.6L139 F156L139-I158 HydrophobicContact CB-CD1 3.96Å; L139-I158 HydrophobicContact CD2-CD1 4.12Å; L139-I158 HydrophobicContact CG-CD1 4.1Å; F156-I158 VanDerWaalsContact C-N 3.33Å; F156-I158 HydrophobicContact CB-CG1 3.98Å; F156-I158 HydrophobicContact CD1-CD1 4.24Å; F156-I158 HydrophobicContact CD1-CG1 4.12Å; F156-I158 HydrophobicContact CG-CG1 4.48Å
159P98.2Very high96.2Very high78 Ų7840.8 Ų40.851%0.50622%0.223SC..  trans-55.9141.2172.7-2535.9000111.9H141 L142H141-P159 PolarHBondContact CD2-O 3.32Å; L142-P159 PolarHBondContact N-O 2.9Å
160V98.3Very high96.3Very high22 Ų2239 Ų3913%0.13322%0.215CC..EExtended strand (participates in β ladder)trans-132.1121.3176.9-176.40000108.8L142 T144 Q153 F156L142-V160 HydrophobicContact CB-CG1 4.27Å; L142-V160 HydrophobicContact CB-CG2 4.23Å; L142-V160 HydrophobicContact CD2-CG1 4Å; L142-V160 HydrophobicContact CD2-CG2 4.42Å; L142-V160 HydrophobicContact CG-CG1 4.23Å; L142-V160 CarbonylContact O-C 3.57Å; L142-V160 WeakPolarHBondContact O-CA 3.25Å; T144-V160 HydrophobicContact CG2-CG1 4.19Å; Q153-V160 HydrophobicContact CB-CB 4.48Å; Q153-V160 HydrophobicContact CG-CB 4.28Å; Q153-V160 HydrophobicContact CG-CG1 4.01Å; F156-V160 HydrophobicContact CB-CG2 3.6Å; F156-V160 HydrophobicContact CD1-CG2 4.48Å; F156-V160 HydrophobicContact CD2-CG2 3.74Å; F156-V160 HydrophobicContact CG-CG2 3.68Å
161D97.4Very high96.5Very high26 Ų2639.6 Ų39.614%0.13922%0.219CC..EExtended strand (participates in β ladder)trans-95.499.9167.8-75.7-56.5000108.9H141 L142 T144 L163 I352 M358H141-D161 IonicContact CE1-OD2 3.53Å; H141-D161 PolarHBondContact CE1-OD2 3.22Å; H141-D161 IonicContact NE2-OD2 2.78Å; H141-D161 PolarHBondContact NE2-OD2 2.92Å; L142-D161 PolarHBondContact O-N 3.4Å; T144-D161 PolarHBondContact N-O 3.27Å; T144-D161 VanDerWaalsContact O-O 3.09Å; D161-L163 HydrophobicContact CB-CD2 4.47Å; D161-L163 PolarHBondContact O-N 3.03Å; D161-I352 VanDerWaalsContact OD2-CD1 3.23Å; D161-I352 WeakPolarHBondContact OD2-CD1 3.43Å; D161-M358 HydrophobicContact CB-CE 4.11Å
162N96.8Very high96.6Very high6 Ų635.9 Ų35.93%0.03220%0.2CC..EExtended strand (participates in β ladder)trans-89.390.3172.6179.839.9000110.1T144 D146 L147 Q153 F362T144-N162 HydrophobicContact CG2-CB 4.3Å; D146-N162 PolarHBondContact N-OD1 3.3Å; L147-N162 HydrophobicContact CD1-CB 4.06Å; L147-N162 HydrophobicContact CG-CB 4.49Å; L147-N162 WeakPolarHBondContact CG-OD1 3.44Å; L147-N162 PolarHBondContact N-OD1 3.2Å; Q153-N162 HydrophobicContact CG-CB 4.1Å; N162-F362 WeakPolarHBondContact O-CE1 3.36Å
163L95.9Very high96.6Very high0 Ų035.9 Ų35.90%020%0.2CC..EExtended strand (participates in β ladder)trans-68.9168.4178.9-52.8-180000111.4I143 T144 M145 D146 D161 I344 L345 A348 M358 L361 F362I143-L163 HydrophobicContact CG2-CD1 3.65Å; I143-L163 HydrophobicContact CG2-CG 4.1Å; T144-L163 WeakPolarHBondContact O-CB 3.33Å; T144-L163 WeakPolarHBondContact O-CG 3.48Å; T144-L163 PolarHBondContact O-N 2.74Å; M145-L163 WeakPolarHBondContact CA-O 3.45Å; M145-L163 HydrophobicContact CB-CB 4.38Å; M145-L163 HydrophobicContact CG-CB 4.11Å; M145-L163 WeakPolarHBondContact CG-O 3.46Å; D146-L163 PolarHBondContact N-O 3.44Å; D161-L163 HydrophobicContact CB-CD2 4.47Å; D161-L163 PolarHBondContact O-N 3.03Å; L163-I344 HydrophobicContact CB-CD1 4.2Å; L163-I344 HydrophobicContact CD1-CG1 4.28Å; L163-L345 HydrophobicContact CD1-CD2 3.89Å; L163-A348 HydrophobicContact CD1-CB 3.76Å; L163-A348 HydrophobicContact CD2-CB 4.27Å; L163-M358 HydrophobicContact CD2-CE 3.7Å; L163-L361 HydrophobicContact CD2-CD1 4.18Å; L163-F362 HydrophobicContact CD2-CZ 4.05Å
164R94Very high96.6Very high19 Ų1936.9 Ų36.97%0.07221%0.205CC..  trans-124.1140.7176.2-52.6-63.1-173.7154.311.1112.6D146 I344 I365 D369D146-R164 WeakPolarHBondContact OD1-CD 3.35Å; D146-R164 IonicContact OD1-CZ 2.93Å; D146-R164 IonicContact OD1-NE 3.04Å; D146-R164 IonicContact OD1-NH1 3.81Å; D146-R164 PolarHBondContact OD1-NH1 3.32Å; D146-R164 VanDerWaalsContact OD1-NH1 3.12Å; R164-I344 WeakPolarHBondContact O-CD1 3.39Å; R164-I365 HydrophobicContact CB-CD1 3.63Å; R164-I365 HydrophobicContact CB-CG1 4.5Å; R164-I365 HydrophobicContact CB-CG2 4.4Å; R164-I365 HydrophobicContact CG-CD1 3.54Å; R164-I365 HydrophobicContact CG-CG1 4.39Å; R164-I365 HydrophobicContact CG-CG2 3.58Å; R164-D369 PolarHBondContact NH1-O 3.29Å; R164-D369 PolarHBondContact NH1-OXT 2.84Å; R164-D369 PolarHBondContact NH2-O 2.97Å
165A94.9Very high96.5Very high0 Ų039.8 Ų39.80%020%0.201CC..SBendtrans-86.6-14.4168.800000113M145 D146 P167 F168 L169 T298 T321M145-A165 HydrophobicContact CE-CB 3.9Å; M145-A165 HydrophobicContact CG-CB 4.49Å; M145-A165 HydrophobicContact SD-CB 3.87Å; D146-A165 WeakPolarHBondContact OD2-CB 3.46Å; D146-A165 PolarHBondContact OD2-N 3.47Å; A165-P167 VanDerWaalsContact C-N 3.31Å; A165-P167 VanDerWaalsContact O-N 3.13Å; A165-F168 WeakPolarHBondContact O-CB 3.47Å; A165-F168 PolarHBondContact O-N 3.02Å; A165-L169 HydrophobicContact CB-CD1 4.34Å; A165-L169 HydrophobicContact CB-CG 4.45Å; A165-L169 PolarHBondContact O-N 3.25Å; A165-T298 HydrophobicContact CB-CG2 3.54Å; A165-T321 HydrophobicContact CB-CG2 3.77Å
166S94.2Very high96.5Very high1 Ų143.3 Ų43.31%0.00722%0.218CC..Hα-helixtrans-51.3-37.6-174.667.40000114.8F168 L169 L170 R202 D369S166-F168 VanDerWaalsContact C-N 3.32Å; S166-F168 PolarHBondContact O-N 3.02Å; S166-L169 PolarHBondContact O-N 3.36Å; S166-L170 VanDerWaalsContact O-CB 3.25Å; S166-L170 WeakPolarHBondContact O-CB 3.4Å; S166-L170 WeakPolarHBondContact O-CG 3.47Å; S166-L170 PolarHBondContact O-N 3.23Å; S166-R202 PolarHBondContact OG-NH1 3.36Å; S166-D369 WeakPolarHBondContact CB-OD2 3.32Å; S166-D369 PolarHBondContact OG-OD2 2.84Å
167P93.3Very high96.4Very high46 Ų4642.8 Ų42.830%0.29922%0.216SC..Hα-helixtrans-63-37.6176.4-22.136.1000113.1A165 Q171 I365A165-P167 VanDerWaalsContact C-N 3.31Å; A165-P167 VanDerWaalsContact O-N 3.13Å; P167-Q171 WeakPolarHBondContact O-CB 3.44Å; P167-Q171 PolarHBondContact O-N 3.01Å; P167-I365 HydrophobicContact CG-CD1 4.32Å; P167-I365 HydrophobicContact CG-CG1 4.11Å
168F95.1Very high96.3Very high51 Ų5139.9 Ų39.922%0.22420%0.204CC..Hα-helixtrans-74.5-40.1179.9-68.5-101.8000111.3A165 S166 Q171 Y172 V339 I344A165-F168 WeakPolarHBondContact O-CB 3.47Å; A165-F168 PolarHBondContact O-N 3.02Å; S166-F168 VanDerWaalsContact C-N 3.32Å; S166-F168 PolarHBondContact O-N 3.02Å; F168-Q171 PolarHBondContact O-N 2.67Å; F168-Y172 PolarHBondContact O-N 3.2Å; F168-V339 HydrophobicContact CB-CG1 3.79Å; F168-I344 HydrophobicContact CE2-CB 3.86Å; F168-I344 HydrophobicContact CE2-CD1 4.17Å; F168-I344 HydrophobicContact CE2-CG1 4.42Å; F168-I344 HydrophobicContact CE2-CG2 4.23Å; F168-I344 HydrophobicContact CZ-CB 4.02Å
169L96.7Very high96.1Very high2 Ų244 Ų441%0.0123%0.227CC..Hα-helixtrans-68.1-37.8175.3-63.4178.3000111.8A165 S166 Y172 I173 F199 V319 T321 V339A165-L169 HydrophobicContact CB-CD1 4.34Å; A165-L169 HydrophobicContact CB-CG 4.45Å; A165-L169 PolarHBondContact O-N 3.25Å; S166-L169 PolarHBondContact O-N 3.36Å; L169-Y172 WeakPolarHBondContact O-CB 3.42Å; L169-Y172 PolarHBondContact O-N 3.04Å; L169-I173 WeakPolarHBondContact O-CG1 3.26Å; L169-I173 PolarHBondContact O-N 2.97Å; L169-F199 HydrophobicContact CB-CE1 3.99Å; L169-F199 HydrophobicContact CB-CZ 4.07Å; L169-F199 HydrophobicContact CD1-CZ 4.24Å; L169-V319 HydrophobicContact CD2-CG1 4.18Å; L169-T321 HydrophobicContact CD2-CG2 4.3Å; L169-V339 HydrophobicContact CD2-CG2 4.21Å
170L96Very high96.1Very high15 Ų1542 Ų428%0.07921%0.21CC..Hα-helixtrans-64.1-42.4173.5-77.9171.5000112.2S166 Y172 I173 Q174 F199 R202 L203S166-L170 VanDerWaalsContact O-CB 3.25Å; S166-L170 WeakPolarHBondContact O-CB 3.4Å; S166-L170 WeakPolarHBondContact O-CG 3.47Å; S166-L170 PolarHBondContact O-N 3.23Å; L170-Y172 VanDerWaalsContact C-N 3.32Å; L170-I173 PolarHBondContact O-N 3.37Å; L170-Q174 WeakPolarHBondContact O-CG 3.3Å; L170-Q174 PolarHBondContact O-N 3.08Å; L170-Q174 VanDerWaalsContact O-N 3.1Å; L170-F199 HydrophobicContact CD2-CD1 3.75Å; L170-F199 HydrophobicContact CD2-CE1 4.21Å; L170-F199 HydrophobicContact CD2-CG 4.27Å; L170-F199 HydrophobicContact CG-CD1 4.19Å; L170-F199 HydrophobicContact CG-CE1 4.17Å; L170-R202 HydrophobicContact CD1-CB 4Å; L170-R202 HydrophobicContact CD2-CB 4.49Å; L170-L203 HydrophobicContact CD2-CD1 3.7Å; L170-L203 HydrophobicContact CD2-CD2 3.65Å; L170-L203 HydrophobicContact CD2-CG 3.44Å; L170-L203 VanDerWaalsContact CD2-CG 3.44Å
171Q95.3Very high96Very high85 Ų8548.1 Ų48.140%0.39723%0.23SC..Hα-helixtrans-60-45.4174.6-177.3178.3-2.100110.5P167 F168 I173 Q174 E175P167-Q171 WeakPolarHBondContact O-CB 3.44Å; P167-Q171 PolarHBondContact O-N 3.01Å; F168-Q171 PolarHBondContact O-N 2.67Å; Q171-I173 PolarHBondContact O-N 3.01Å; Q171-Q174 PolarHBondContact O-N 3.09Å; Q171-Q174 VanDerWaalsContact O-N 3.08Å; Q171-E175 VanDerWaalsContact CG-CD 3.43Å; Q171-E175 HydrophobicContact CG-CG 4.2Å; Q171-E175 VanDerWaalsContact CG-OE1 3.31Å; Q171-E175 WeakPolarHBondContact CG-OE1 3.3Å; Q171-E175 PolarHBondContact NE2-OE1 3.35Å; Q171-E175 PolarHBondContact NE2-OE2 3.03Å; Q171-E175 WeakPolarHBondContact O-CB 3.3Å; Q171-E175 WeakPolarHBondContact O-CG 3.5Å; Q171-E175 PolarHBondContact O-N 3.49Å
172Y97.6Very high96Very high36 Ų3650.3 Ų50.314%0.14124%0.242CC..Hα-helixtrans-56.7-46.4175.3-172.2-81000112.3F168 L169 L170 Q174 E175 E176 M296 E317 V319 K337 V339F168-Y172 PolarHBondContact O-N 3.2Å; L169-Y172 WeakPolarHBondContact O-CB 3.42Å; L169-Y172 PolarHBondContact O-N 3.04Å; L170-Y172 VanDerWaalsContact C-N 3.32Å; Y172-Q174 PolarHBondContact O-N 2.97Å; Y172-E175 PolarHBondContact O-N 2.86Å; Y172-E176 HydrophobicContact CD1-CB 4.12Å; Y172-E176 HydrophobicContact CD2-CB 4.37Å; Y172-E176 HydrophobicContact CD2-CG 3.94Å; Y172-E176 HydrophobicContact CE1-CB 3.83Å; Y172-E176 HydrophobicContact CE1-CG 4.4Å; Y172-E176 HydrophobicContact CE2-CB 4.13Å; Y172-E176 HydrophobicContact CE2-CG 3.81Å; Y172-E176 HydrophobicContact CG-CB 4.38Å; Y172-E176 HydrophobicContact CG-CG 4.32Å; Y172-E176 WeakPolarHBondContact O-CB 3.28Å; Y172-E176 PolarHBondContact O-N 2.93Å; Y172-M296 HydrophobicContact CD1-CE 4.01Å; Y172-M296 HydrophobicContact CE1-CE 4.29Å; Y172-E317 WeakPolarHBondContact CE1-OE1 3.48Å; Y172-E317 PolarHBondContact OH-OE1 3.43Å; Y172-V319 HydrophobicContact CD1-CG1 3.95Å; Y172-V319 HydrophobicContact CD1-CG2 3.96Å; Y172-V319 HydrophobicContact CD2-CG1 4.21Å; Y172-V319 HydrophobicContact CE1-CB 4.33Å; Y172-V319 HydrophobicContact CE1-CG1 4Å; Y172-V319 HydrophobicContact CE1-CG2 3.39Å; Y172-V319 HydrophobicContact CE2-CG1 4.23Å; Y172-V319 HydrophobicContact CG-CG1 4.06Å; Y172-K337 WeakPolarHBondContact OH-CG 3.15Å; Y172-V339 HydrophobicContact CD2-CG2 3.7Å; Y172-V339 HydrophobicContact CE2-CG2 4.34Å; Y172-V339 HydrophobicContact CG-CG2 4.17Å
173I97.7Very high96.1Very high0 Ų050.1 Ų50.10%024%0.241CC..Hα-helixtrans-58.7-39176.9-67.4165.3000111.4L169 L170 Q171 I177 Y180 F199 L203 I266 M296L169-I173 WeakPolarHBondContact O-CG1 3.26Å; L169-I173 PolarHBondContact O-N 2.97Å; L170-I173 PolarHBondContact O-N 3.37Å; Q171-I173 PolarHBondContact O-N 3.01Å; I173-I177 HydrophobicContact CB-CD1 4.42Å; I173-I177 HydrophobicContact CG1-CD1 4.1Å; I173-I177 HydrophobicContact CG2-CD1 4.36Å; I173-I177 WeakPolarHBondContact O-CB 3.38Å; I173-I177 PolarHBondContact O-N 3.3Å; I173-Y180 HydrophobicContact CG2-CD2 4.15Å; I173-Y180 HydrophobicContact CG2-CG 4.21Å; I173-F199 HydrophobicContact CD1-CD1 4Å; I173-F199 HydrophobicContact CD1-CE1 4.16Å; I173-L203 HydrophobicContact CD1-CD1 4Å; I173-L203 HydrophobicContact CG2-CD1 3.91Å; I173-L203 HydrophobicContact CG2-CD2 4.43Å; I173-I266 HydrophobicContact CD1-CD1 4.5Å; I173-I266 HydrophobicContact CD1-CG2 4.26Å; I173-I266 HydrophobicContact CG1-CD1 4.45Å; I173-I266 HydrophobicContact CG2-CD1 3.89Å; I173-M296 HydrophobicContact CD1-CE 4.45Å; I173-M296 HydrophobicContact CD1-CG 4.3Å; I173-M296 HydrophobicContact CD1-SD 4.36Å; I173-M296 HydrophobicContact CG1-CE 3.73Å; I173-M296 HydrophobicContact CG1-SD 4.07Å
174Q96.8Very high96.2Very high94 Ų9450.2 Ų50.244%0.43924%0.242SC..Hα-helixtrans-76.9-32-177.2-70.2175.4-1500113.5L170 Q171 Y172 Y180 L203L170-Q174 WeakPolarHBondContact O-CG 3.3Å; L170-Q174 PolarHBondContact O-N 3.08Å; L170-Q174 VanDerWaalsContact O-N 3.1Å; Q171-Q174 PolarHBondContact O-N 3.09Å; Q171-Q174 VanDerWaalsContact O-N 3.08Å; Y172-Q174 PolarHBondContact O-N 2.97Å; Q174-Y180 HydrophobicContact CB-CE1 4.45Å; Q174-Y180 HydrophobicContact CG-CE1 4.39Å; Q174-Y180 HydrophobicContact CG-CE2 4.08Å; Q174-L203 HydrophobicContact CG-CD2 3.92Å
175E96.5Very high96.5Very high126 Ų12649.3 Ų49.359%0.58924%0.238SC*.Hα-helixtrans-93.4-40.6-174.4-68.8177.8175.400112.4Q171 Y172Q171-E175 VanDerWaalsContact CG-CD 3.43Å; Q171-E175 HydrophobicContact CG-CG 4.2Å; Q171-E175 VanDerWaalsContact CG-OE1 3.31Å; Q171-E175 WeakPolarHBondContact CG-OE1 3.3Å; Q171-E175 PolarHBondContact NE2-OE1 3.35Å; Q171-E175 PolarHBondContact NE2-OE2 3.03Å; Q171-E175 WeakPolarHBondContact O-CB 3.3Å; Q171-E175 WeakPolarHBondContact O-CG 3.5Å; Q171-E175 PolarHBondContact O-N 3.49Å; Y172-E175 PolarHBondContact O-N 2.86Å
176E96.9Very high96.6Very high121 Ų12149.3 Ų49.357%0.56524%0.238SC*.Hα-helixtrans-106.4-25.4-168.3-60.8-63.1147.400113.6Y172 P178Y172-E176 HydrophobicContact CD1-CB 4.12Å; Y172-E176 HydrophobicContact CD2-CB 4.37Å; Y172-E176 HydrophobicContact CD2-CG 3.94Å; Y172-E176 HydrophobicContact CE1-CB 3.83Å; Y172-E176 HydrophobicContact CE1-CG 4.4Å; Y172-E176 HydrophobicContact CE2-CB 4.13Å; Y172-E176 HydrophobicContact CE2-CG 3.81Å; Y172-E176 HydrophobicContact CG-CB 4.38Å; Y172-E176 HydrophobicContact CG-CG 4.32Å; Y172-E176 WeakPolarHBondContact O-CB 3.28Å; Y172-E176 PolarHBondContact O-N 2.93Å; E176-P178 VanDerWaalsContact O-CD 3.25Å; E176-P178 WeakPolarHBondContact O-CD 3.33Å
177I97Very high96.7Very high5 Ų549.2 Ų49.23%0.02624%0.238CC..SBendtrans-87.7111.8178.1-59.5-174.6000110.2I173 Y180 I264 I266 F294 M296I173-I177 HydrophobicContact CB-CD1 4.42Å; I173-I177 HydrophobicContact CG1-CD1 4.1Å; I173-I177 HydrophobicContact CG2-CD1 4.36Å; I173-I177 WeakPolarHBondContact O-CB 3.38Å; I173-I177 PolarHBondContact O-N 3.3Å; I177-Y180 PolarHBondContact O-N 3.1Å; I177-I264 HydrophobicContact CG2-CD1 4.15Å; I177-I266 HydrophobicContact CD1-CD1 3.94Å; I177-I266 HydrophobicContact CD1-CG1 4.44Å; I177-F294 HydrophobicContact CD1-CB 4.28Å; I177-F294 HydrophobicContact CD1-CD1 3.54Å; I177-F294 HydrophobicContact CD1-CD2 4.14Å; I177-F294 HydrophobicContact CD1-CE1 3.85Å; I177-F294 HydrophobicContact CD1-CE2 4.38Å; I177-F294 HydrophobicContact CD1-CG 3.72Å; I177-F294 HydrophobicContact CD1-CZ 4.26Å; I177-F294 HydrophobicContact CG1-CD1 4.02Å; I177-F294 HydrophobicContact CG1-CE1 3.8Å; I177-F294 HydrophobicContact CG1-CZ 4.14Å; I177-F294 HydrophobicContact CG2-CE2 4.03Å; I177-F294 HydrophobicContact CG2-CZ 4.02Å; I177-M296 HydrophobicContact CD1-CE 3.49Å; I177-M296 VanDerWaalsContact CD1-CE 3.49Å; I177-M296 HydrophobicContact CG1-CE 4.5Å
178P94.3Very high96.7Very high73 Ų7349 Ų4947%0.47423%0.232SC..THydrogen-bonded Turntrans-65.6142.1175.429.2-34.6000110E176 Y180 I264E176-P178 VanDerWaalsContact O-CD 3.25Å; E176-P178 WeakPolarHBondContact O-CD 3.33Å; P178-Y180 PolarHBondContact O-N 3.08Å; P178-Y180 VanDerWaalsContact O-N 3.16Å; P178-I264 WeakPolarHBondContact O-CD1 3.32Å
179D95.4Very high96.5Very high119 Ų11948.2 Ų48.264%0.63623%0.233SC*.THydrogen-bonded Turntrans5431.9179.1-60.5-31.6000114.6R181 N182D179-R181 PolarHBondContact O-N 3.39Å; D179-N182 PolarHBondContact O-N 3.31Å
180Y97.2Very high96.2Very high35 Ų3552.3 Ų52.314%0.13726%0.26CS..G310 helixtrans-54.6-21.3177.482.7-89.4000113.5I173 Q174 I177 P178 N182 A183 L203 L205I173-Y180 HydrophobicContact CG2-CD2 4.15Å; I173-Y180 HydrophobicContact CG2-CG 4.21Å; Q174-Y180 HydrophobicContact CB-CE1 4.45Å; Q174-Y180 HydrophobicContact CG-CE1 4.39Å; Q174-Y180 HydrophobicContact CG-CE2 4.08Å; I177-Y180 PolarHBondContact O-N 3.1Å; P178-Y180 PolarHBondContact O-N 3.08Å; P178-Y180 VanDerWaalsContact O-N 3.16Å; Y180-N182 PolarHBondContact O-N 3.01Å; Y180-A183 WeakPolarHBondContact O-CB 3.27Å; Y180-A183 PolarHBondContact O-N 3.41Å; Y180-L203 HydrophobicContact CD2-CD2 4.42Å; Y180-L203 HydrophobicContact CE2-CD2 4.17Å; Y180-L205 WeakPolarHBondContact O-CD1 3.36Å
181R97.6Very high95.7Very high151 Ų15155.9 Ų55.957%0.5729%0.291SS*.G310 helixtrans-66-24.4173.8-67.6-66.3-172.7169.8-0.2113.6D179 A183 L203 L205D179-R181 PolarHBondContact O-N 3.39Å; R181-A183 VanDerWaalsContact C-N 3.28Å; R181-L203 PolarHBondContact NH1-O 3.09Å; R181-L205 WeakPolarHBondContact O-CD2 3.44Å
182N97.5Very high95.4Very high71 Ų7152.1 Ų52.138%0.3827%0.274SS..G310 helixtrans-92.516.8171-169.435.5000111.9D179 Y180 G262 R263 I264D179-N182 PolarHBondContact O-N 3.31Å; Y180-N182 PolarHBondContact O-N 3.01Å; N182-G262 PolarHBondContact ND2-O 3.34Å; N182-R263 WeakPolarHBondContact O-CA 3.45Å; N182-R263 VanDerWaalsContact O-CB 3.25Å; N182-R263 WeakPolarHBondContact O-CB 3.34Å; N182-I264 PolarHBondContact O-N 2.97Å
183A98.4Very high95.2Very high2 Ų251.5 Ų51.52%0.01728%0.277CS..EExtended strand (participates in β ladder)trans-90.2161.8176.500000112.8Y180 R181 L205 I264 I266Y180-A183 WeakPolarHBondContact O-CB 3.27Å; Y180-A183 PolarHBondContact O-N 3.41Å; R181-A183 VanDerWaalsContact C-N 3.28Å; A183-L205 HydrophobicContact CB-CD1 4.1Å; A183-I264 CarbonylContact C-O 3.56Å; A183-I264 WeakPolarHBondContact CA-O 3.38Å; A183-I264 HydrophobicContact CB-CB 3.83Å; A183-I264 HydrophobicContact CB-CG2 4.25Å; A183-I264 WeakPolarHBondContact CB-O 3.32Å; A183-I266 HydrophobicContact CB-CD1 3.71Å; A183-I266 HydrophobicContact CB-CG1 4.09Å
184V98.4Very high94.9Very high2 Ų257.8 Ų57.81%0.01230%0.304CS..EExtended strand (participates in β ladder)trans-125.2132.6168.258.50000108.1V186 A208 V260 R263 I264 A265 I266V184-V186 HydrophobicContact CG1-CG2 4.28Å; V184-A208 HydrophobicContact CG2-CB 4Å; V184-V260 HydrophobicContact CG1-CB 4.18Å; V184-V260 HydrophobicContact CG1-CG1 3.93Å; V184-R263 HydrophobicContact CG1-CB 4.27Å; V184-I264 PolarHBondContact N-O 3.38Å; V184-A265 HydrophobicContact CG1-CB 4.48Å; V184-I266 PolarHBondContact O-N 2.74Å
185I98.6Very high94.7Very high0 Ų054.6 Ų54.60%029%0.288CS..EExtended strand (participates in β ladder)trans-82.2128.9177-54.2-53.8000108.5A196 F199 A200 L203 L205 G206 I207 A208 I266 V268I185-A196 HydrophobicContact CG2-CB 3.89Å; I185-A196 WeakPolarHBondContact CG2-O 3.46Å; I185-F199 HydrophobicContact CG1-CB 4.38Å; I185-F199 HydrophobicContact CG2-CB 4Å; I185-A200 HydrophobicContact CB-CB 4.12Å; I185-A200 HydrophobicContact CG1-CB 4.02Å; I185-L203 HydrophobicContact CD1-CD1 3.88Å; I185-L205 HydrophobicContact CD1-CD1 4.02Å; I185-L205 HydrophobicContact CG1-CB 4.36Å; I185-L205 HydrophobicContact CG1-CD1 4.29Å; I185-G206 PolarHBondContact N-O 3.42Å; I185-I207 CarbonylContact O-C 3.59Å; I185-I207 VanDerWaalsContact O-CA 3.26Å; I185-I207 WeakPolarHBondContact O-CA 3.48Å; I185-A208 PolarHBondContact O-N 3.02Å; I185-I266 CarbonylContact C-O 3.49Å; I185-I266 HydrophobicContact CD1-CB 3.98Å; I185-I266 HydrophobicContact CD1-CD1 4.17Å; I185-I266 HydrophobicContact CD1-CG2 4.39Å; I185-V268 HydrophobicContact CG2-CB 4.38Å; I185-V268 HydrophobicContact CG2-CG2 3.68Å
186V98.3Very high94.7Very high0 Ų048.6 Ų48.60%026%0.26CS..EExtended strand (participates in β ladder)trans-114.2127.7-173.7-174.40000110.2V184 A208 I210 A265 I266 I267 V268 L285V184-V186 HydrophobicContact CG1-CG2 4.28Å; V186-A208 CarbonylContact C-O 3.58Å; V186-A208 VanDerWaalsContact CA-O 3.31Å; V186-A208 WeakPolarHBondContact CA-O 3.46Å; V186-A208 HydrophobicContact CG2-CB 4.32Å; V186-I210 HydrophobicContact CG1-CD1 3.88Å; V186-I210 HydrophobicContact CG1-CG1 3.91Å; V186-A265 HydrophobicContact CG2-CB 3.94Å; V186-I266 PolarHBondContact N-O 3.39Å; V186-I267 HydrophobicContact CB-CG1 4.13Å; V186-I267 HydrophobicContact CG1-CG1 4.33Å; V186-I267 CarbonylContact O-C 3.6Å; V186-I267 VanDerWaalsContact O-CA 3.3Å; V186-I267 WeakPolarHBondContact O-CA 3.45Å; V186-V268 PolarHBondContact O-N 3.21Å; V186-L285 HydrophobicContact CB-CD1 4.49Å; V186-L285 HydrophobicContact CG1-CD1 4.08Å; V186-L285 HydrophobicContact CG1-CD2 4.06Å; V186-L285 HydrophobicContact CG2-CD1 4.3Å; V186-L285 HydrophobicContact CG2-CD2 4.01Å
187A96.9Very high94.6Very high0 Ų046.9 Ų46.90%025%0.252CS..EExtended strand (participates in β ladder)trans-88.3124.7166.200000109.4S189 A193 A196 A208 V209 I210A187-S189 PolarHBondContact O-N 2.57Å; A187-A193 HydrophobicContact CB-CB 4.36Å; A187-A196 HydrophobicContact CB-CB 3.67Å; A187-A208 PolarHBondContact N-O 2.94Å; A187-V209 HydrophobicContact CB-CB 4.38Å; A187-V209 HydrophobicContact CB-CG1 4.16Å; A187-V209 HydrophobicContact CB-CG2 4.1Å; A187-I210 PolarHBondContact O-N 3.05Å
188K93.1Very high94.5Very high42 Ų4246.9 Ų46.918%0.18325%0.252CS..SBendtrans-62.7-28.2177.7-175.5177.770.278.90113S192 I210 I267 D269 S277 F278 A281K188-S192 PolarHBondContact N-OG 2.83Å; K188-I210 WeakPolarHBondContact O-CB 3.14Å; K188-I267 HydrophobicContact CB-CG2 4.07Å; K188-D269 WeakPolarHBondContact CE-OD2 3.43Å; K188-D269 IonicContact NZ-OD2 2.82Å; K188-S277 PolarHBondContact NZ-OG 2.98Å; K188-F278 HydrophobicContact CD-CD1 3.66Å; K188-F278 HydrophobicContact CD-CD2 3.7Å; K188-F278 HydrophobicContact CD-CE1 3.66Å; K188-F278 HydrophobicContact CD-CE2 3.71Å; K188-F278 HydrophobicContact CD-CG 3.68Å; K188-F278 HydrophobicContact CD-CZ 3.69Å; K188-A281 HydrophobicContact CG-CB 4.48Å
189S90.4Very high94.6Very high34 Ų3443.6 Ų43.624%0.23823%0.23CC..SBendtrans-149.4166.7178.5690000111A187 A191 S192 A193 I210A187-S189 PolarHBondContact O-N 2.57Å; S189-A191 PolarHBondContact O-N 2.84Å; S189-A191 VanDerWaalsContact O-N 3.15Å; S189-A191 PolarHBondContact OG-N 3.41Å; S189-S192 PolarHBondContact N-OG 2.82Å; S189-S192 PolarHBondContact O-N 2.97Å; S189-S192 VanDerWaalsContact O-N 3.08Å; S189-S192 PolarHBondContact O-OG 3.07Å; S189-S192 PolarHBondContact OG-N 3.33Å; S189-S192 PolarHBondContact OG-OG 2.76Å; S189-A193 PolarHBondContact O-N 2.94Å; S189-I210 WeakPolarHBondContact CA-O 3.39Å
190P89.9Confident94.7Very high88 Ų8838.2 Ų38.257%0.57120%0.203SC*.G310 helixtrans-56.8-28.4171.3-26.236.2000113.5S192 A193 I210 H211P190-S192 VanDerWaalsContact C-N 3.34Å; P190-S192 PolarHBondContact O-N 2.91Å; P190-A193 VanDerWaalsContact O-CB 3.27Å; P190-A193 WeakPolarHBondContact O-CB 3.48Å; P190-A193 PolarHBondContact O-N 2.99Å; P190-I210 WeakPolarHBondContact CD-O 3.33Å; P190-H211 HydrophobicContact CG-CB 4.48Å
191A86.3Confident94.6Very high89 Ų8942.3 Ų42.374%0.73622%0.223SC*.G310 helixtrans-67.4-34.1178.100000112.6S189 A193S189-A191 PolarHBondContact O-N 2.84Å; S189-A191 VanDerWaalsContact O-N 3.15Å; S189-A191 PolarHBondContact OG-N 3.41Å; A191-A193 VanDerWaalsContact C-N 3.33Å
192S88.8Confident94.5Very high6 Ų638.2 Ų38.24%0.04221%0.208CC..G310 helixtrans-83.3-3.5176.850.90000114K188 S189 P190 K194 R195 A196K188-S192 PolarHBondContact N-OG 2.83Å; S189-S192 PolarHBondContact N-OG 2.82Å; S189-S192 PolarHBondContact O-N 2.97Å; S189-S192 VanDerWaalsContact O-N 3.08Å; S189-S192 PolarHBondContact O-OG 3.07Å; S189-S192 PolarHBondContact OG-N 3.33Å; S189-S192 PolarHBondContact OG-OG 2.76Å; P190-S192 VanDerWaalsContact C-N 3.34Å; P190-S192 PolarHBondContact O-N 2.91Å; S192-K194 PolarHBondContact O-N 2.55Å; S192-R195 WeakPolarHBondContact O-CB 3.28Å; S192-R195 PolarHBondContact O-N 3.1Å; S192-R195 VanDerWaalsContact O-N 3.14Å; S192-A196 PolarHBondContact O-N 3.3Å; S192-A196 VanDerWaalsContact O-N 3.08Å
193A92.2Very high94.4Very high24 Ų2435 Ų3520%0.19819%0.19CC..Hα-helixtrans-59.7-39.7-17200000113.8A187 S189 P190 A191 R195 A196 Q197 V209A187-A193 HydrophobicContact CB-CB 4.36Å; S189-A193 PolarHBondContact O-N 2.94Å; P190-A193 VanDerWaalsContact O-CB 3.27Å; P190-A193 WeakPolarHBondContact O-CB 3.48Å; P190-A193 PolarHBondContact O-N 2.99Å; A191-A193 VanDerWaalsContact C-N 3.33Å; A193-R195 VanDerWaalsContact C-N 3.34Å; A193-R195 PolarHBondContact O-N 3.19Å; A193-A196 PolarHBondContact O-N 3.14Å; A193-Q197 WeakPolarHBondContact O-CB 3.34Å; A193-Q197 PolarHBondContact O-N 3.18Å; A193-V209 HydrophobicContact CB-CG2 4.32Å
194K91.7Very high94.3Very high132 Ų13245.1 Ų45.157%0.57423%0.228SC*.Hα-helixtrans-61.9-41.3177.5-69-172.3178.2-173.80112.4S192 Q197 S198S192-K194 PolarHBondContact O-N 2.55Å; K194-Q197 PolarHBondContact O-N 2.72Å; K194-S198 PolarHBondContact O-N 3.31Å
195R93.1Very high94.3Very high26 Ų2646.2 Ų46.210%0.09823%0.234CC..Hα-helixtrans-65.2-48.8177.7-174.1-178.5-60.3-64.9-8110.9D146 S192 A193 Q197 S198 F199 V268 D269 D369D146-R195 IonicContact OD1-NH1 3.35Å; S192-R195 WeakPolarHBondContact O-CB 3.28Å; S192-R195 PolarHBondContact O-N 3.1Å; S192-R195 VanDerWaalsContact O-N 3.14Å; A193-R195 VanDerWaalsContact C-N 3.34Å; A193-R195 PolarHBondContact O-N 3.19Å; R195-Q197 VanDerWaalsContact C-N 3.29Å; R195-Q197 PolarHBondContact O-N 3.2Å; R195-S198 PolarHBondContact O-N 3.07Å; R195-F199 HydrophobicContact CG-CE2 4.43Å; R195-F199 WeakPolarHBondContact O-CD2 3.18Å; R195-F199 PolarHBondContact O-N 3.2Å; R195-F199 VanDerWaalsContact O-N 3.16Å; R195-V268 HydrophobicContact CG-CG1 3.83Å; R195-D269 VanDerWaalsContact CD-C 3.48Å; R195-D369 PolarHBondContact NH1-OXT 2.94Å
196A95.9Very high94.2Very high0 Ų047.9 Ų47.90%025%0.251CS..Hα-helixtrans-58.7-41.4175.600000111.9I185 A187 S192 A193 F199 A200 I207I185-A196 HydrophobicContact CG2-CB 3.89Å; I185-A196 WeakPolarHBondContact CG2-O 3.46Å; A187-A196 HydrophobicContact CB-CB 3.67Å; S192-A196 PolarHBondContact O-N 3.3Å; S192-A196 VanDerWaalsContact O-N 3.08Å; A193-A196 PolarHBondContact O-N 3.14Å; A196-F199 PolarHBondContact O-N 3.11Å; A196-A200 WeakPolarHBondContact O-CB 3.41Å; A196-A200 PolarHBondContact O-N 2.99Å; A196-I207 HydrophobicContact CB-CD1 3.87Å; A196-I207 HydrophobicContact CB-CG1 4.26Å
197Q95.8Very high94.2Very high86 Ų8651.1 Ų51.140%0.40227%0.268SS..Hα-helixtrans-60.9-46.5176.4-178.3178.3-4.700111.8A193 K194 R195 F199 A200 E201 I207A193-Q197 WeakPolarHBondContact O-CB 3.34Å; A193-Q197 PolarHBondContact O-N 3.18Å; K194-Q197 PolarHBondContact O-N 2.72Å; R195-Q197 VanDerWaalsContact C-N 3.29Å; R195-Q197 PolarHBondContact O-N 3.2Å; Q197-F199 VanDerWaalsContact C-N 3.28Å; Q197-F199 PolarHBondContact O-N 2.88Å; Q197-A200 PolarHBondContact O-N 3.34Å; Q197-A200 VanDerWaalsContact O-N 3.13Å; Q197-E201 HydrophobicContact CG-CG 4.31Å; Q197-E201 WeakPolarHBondContact CG-OE1 3.25Å; Q197-E201 PolarHBondContact NE2-OE1 3.17Å; Q197-E201 WeakPolarHBondContact O-CG 3.18Å; Q197-E201 PolarHBondContact O-N 3.41Å; Q197-I207 HydrophobicContact CB-CD1 3.97Å
198S94.7Very high94.2Very high4 Ų451.1 Ų51.13%0.02827%0.268CS..Hα-helixtrans-59.8-36.1177.4177.50000113K194 R195 R202 D369K194-S198 PolarHBondContact O-N 3.31Å; R195-S198 PolarHBondContact O-N 3.07Å; S198-R202 PolarHBondContact O-N 3.24Å; S198-R202 PolarHBondContact O-NE 3.09Å; S198-R202 PolarHBondContact OG-NH2 2.99Å; S198-D369 VanDerWaalsContact CB-OD1 3.22Å; S198-D369 WeakPolarHBondContact CB-OD1 3.44Å; S198-D369 PolarHBondContact OG-OD1 3.34Å
199F96.5Very high94.4Very high4 Ų450.7 Ų50.72%0.01827%0.268CS..Hα-helixtrans-69.5-46.1172.7-87.2-115.3000111.7L169 L170 I173 I185 R195 A196 Q197 E201 R202 L203 V268L169-F199 HydrophobicContact CB-CE1 3.99Å; L169-F199 HydrophobicContact CB-CZ 4.07Å; L169-F199 HydrophobicContact CD1-CZ 4.24Å; L170-F199 HydrophobicContact CD2-CD1 3.75Å; L170-F199 HydrophobicContact CD2-CE1 4.21Å; L170-F199 HydrophobicContact CD2-CG 4.27Å; L170-F199 HydrophobicContact CG-CD1 4.19Å; L170-F199 HydrophobicContact CG-CE1 4.17Å; I173-F199 HydrophobicContact CD1-CD1 4Å; I173-F199 HydrophobicContact CD1-CE1 4.16Å; I185-F199 HydrophobicContact CG1-CB 4.38Å; I185-F199 HydrophobicContact CG2-CB 4Å; R195-F199 HydrophobicContact CG-CE2 4.43Å; R195-F199 WeakPolarHBondContact O-CD2 3.18Å; R195-F199 PolarHBondContact O-N 3.2Å; R195-F199 VanDerWaalsContact O-N 3.16Å; A196-F199 PolarHBondContact O-N 3.11Å; Q197-F199 VanDerWaalsContact C-N 3.28Å; Q197-F199 PolarHBondContact O-N 2.88Å; F199-E201 PolarHBondContact O-N 3.02Å; F199-R202 PolarHBondContact O-N 3.05Å; F199-L203 WeakPolarHBondContact O-CB 3.35Å; F199-L203 WeakPolarHBondContact O-CG 3.34Å; F199-L203 PolarHBondContact O-N 3.24Å; F199-V268 HydrophobicContact CB-CG2 4.44Å; F199-V268 HydrophobicContact CD1-CG1 4.28Å; F199-V268 HydrophobicContact CD1-CG2 4Å; F199-V268 HydrophobicContact CD2-CG1 3.88Å; F199-V268 HydrophobicContact CE1-CG1 4.21Å; F199-V268 HydrophobicContact CE1-CG2 4.42Å; F199-V268 HydrophobicContact CE2-CG1 3.82Å; F199-V268 HydrophobicContact CG-CG1 4.11Å; F199-V268 HydrophobicContact CG-CG2 4.16Å; F199-V268 HydrophobicContact CZ-CG1 3.98Å
200A97.1Very high94.5Very high7 Ų749.4 Ų49.46%0.05826%0.258CS..Hα-helixtrans-60.1-4418000000112.2I185 A196 Q197 R202 L203 R204 L205 I207I185-A200 HydrophobicContact CB-CB 4.12Å; I185-A200 HydrophobicContact CG1-CB 4.02Å; A196-A200 WeakPolarHBondContact O-CB 3.41Å; A196-A200 PolarHBondContact O-N 2.99Å; Q197-A200 PolarHBondContact O-N 3.34Å; Q197-A200 VanDerWaalsContact O-N 3.13Å; A200-R202 PolarHBondContact O-N 3.42Å; A200-L203 PolarHBondContact O-N 2.92Å; A200-R204 VanDerWaalsContact O-CA 3.31Å; A200-R204 WeakPolarHBondContact O-CA 2.9Å; A200-R204 PolarHBondContact O-N 3.08Å; A200-L205 PolarHBondContact O-N 3.05Å; A200-I207 HydrophobicContact CB-CB 4.23Å
201E95.7Very high94.3Very high121 Ų12148.6 Ų48.657%0.56525%0.247SC*.Hα-helixtrans-62-44.1178.5-74.5177.6-173.600112Q197 F199 R204Q197-E201 HydrophobicContact CG-CG 4.31Å; Q197-E201 WeakPolarHBondContact CG-OE1 3.25Å; Q197-E201 PolarHBondContact NE2-OE1 3.17Å; Q197-E201 WeakPolarHBondContact O-CG 3.18Å; Q197-E201 PolarHBondContact O-N 3.41Å; F199-E201 PolarHBondContact O-N 3.02Å; E201-R204 PolarHBondContact O-N 3.43Å
202R94.2Very high93.8Very high65 Ų6545.9 Ų45.925%0.24523%0.227CC..Hα-helixtrans-73.1-32.2-179.4-73.4-179.8-71.3170.83.1113.3S166 L170 S198 F199 A200 D369S166-R202 PolarHBondContact OG-NH1 3.36Å; L170-R202 HydrophobicContact CD1-CB 4Å; L170-R202 HydrophobicContact CD2-CB 4.49Å; S198-R202 PolarHBondContact O-N 3.24Å; S198-R202 PolarHBondContact O-NE 3.09Å; S198-R202 PolarHBondContact OG-NH2 2.99Å; F199-R202 PolarHBondContact O-N 3.05Å; A200-R202 PolarHBondContact O-N 3.42Å; R202-D369 IonicContact CZ-OD1 2.71Å; R202-D369 IonicContact CZ-OD2 2.73Å; R202-D369 IonicContact NH1-OD2 2.81Å; R202-D369 PolarHBondContact NH1-OD2 2.85Å; R202-D369 IonicContact NH2-OD1 3.44Å; R202-D369 PolarHBondContact NH2-OD1 3.11Å; R202-D369 IonicContact NH2-OD2 2.81Å; R202-D369 PolarHBondContact NH2-OD2 2.84Å
203L95.9Very high92.6Very high2 Ų248.5 Ų48.51%0.0124%0.239CC..Hα-helixtrans-84.9-13.1174.7-65172.3000113.3L170 I173 Q174 Y180 R181 I185 F199 A200 L205L170-L203 HydrophobicContact CD2-CD1 3.7Å; L170-L203 HydrophobicContact CD2-CD2 3.65Å; L170-L203 HydrophobicContact CD2-CG 3.44Å; L170-L203 VanDerWaalsContact CD2-CG 3.44Å; I173-L203 HydrophobicContact CD1-CD1 4Å; I173-L203 HydrophobicContact CG2-CD1 3.91Å; I173-L203 HydrophobicContact CG2-CD2 4.43Å; Q174-L203 HydrophobicContact CG-CD2 3.92Å; Y180-L203 HydrophobicContact CD2-CD2 4.42Å; Y180-L203 HydrophobicContact CE2-CD2 4.17Å; R181-L203 PolarHBondContact NH1-O 3.09Å; I185-L203 HydrophobicContact CD1-CD1 3.88Å; F199-L203 WeakPolarHBondContact O-CB 3.35Å; F199-L203 WeakPolarHBondContact O-CG 3.34Å; F199-L203 PolarHBondContact O-N 3.24Å; A200-L203 PolarHBondContact O-N 2.92Å; L203-L205 HydrophobicContact CB-CB 4.42Å; L203-L205 HydrophobicContact CB-CD1 3.68Å; L203-L205 HydrophobicContact CB-CG 3.72Å; L203-L205 HydrophobicContact CD1-CD1 3.94Å; L203-L205 HydrophobicContact CG-CD1 4.43Å
204R97Very high90.8Very high215 Ų21549.2 Ų49.281%0.81125%0.245SC*.THydrogen-bonded Turntrans57.748.4-170.5-52.5179.7-176.3170.5-0.4111.8A200 E201A200-R204 VanDerWaalsContact O-CA 3.31Å; A200-R204 WeakPolarHBondContact O-CA 2.9Å; A200-R204 PolarHBondContact O-N 3.08Å; E201-R204 PolarHBondContact O-N 3.43Å
205L97.8Very high88.6Confident26 Ų2652.4 Ų52.414%0.13626%0.262CS..  trans-114.2166.6-179.9-63.3177.5000111.2Y180 R181 A183 I185 A200 L203Y180-L205 WeakPolarHBondContact O-CD1 3.36Å; R181-L205 WeakPolarHBondContact O-CD2 3.44Å; A183-L205 HydrophobicContact CB-CD1 4.1Å; I185-L205 HydrophobicContact CD1-CD1 4.02Å; I185-L205 HydrophobicContact CG1-CB 4.36Å; I185-L205 HydrophobicContact CG1-CD1 4.29Å; A200-L205 PolarHBondContact O-N 3.05Å; L203-L205 HydrophobicContact CB-CB 4.42Å; L203-L205 HydrophobicContact CB-CD1 3.68Å; L203-L205 HydrophobicContact CB-CG 3.72Å; L203-L205 HydrophobicContact CD1-CD1 3.94Å; L203-L205 HydrophobicContact CG-CD1 4.43Å
206G97.2Very high86.1Confident34 Ų3458.6 Ų58.635%0.35130%0.297SS..EExtended strand (participates in β ladder)trans-70.7161.5168.700000111.8I185I185-G206 PolarHBondContact N-O 3.42Å
207I97.4Very high83.6Confident69 Ų6960.4 Ų60.435%0.35431%0.312SS..EExtended strand (participates in β ladder)trans-117.9141.6172.1-174.2176.5000109.9I185 A196 Q197 A200 V209I185-I207 CarbonylContact O-C 3.59Å; I185-I207 VanDerWaalsContact O-CA 3.26Å; I185-I207 WeakPolarHBondContact O-CA 3.48Å; A196-I207 HydrophobicContact CB-CD1 3.87Å; A196-I207 HydrophobicContact CB-CG1 4.26Å; Q197-I207 HydrophobicContact CB-CD1 3.97Å; A200-I207 HydrophobicContact CB-CB 4.23Å; I207-V209 HydrophobicContact CD1-CG2 4.32Å; I207-V209 HydrophobicContact CG1-CG2 4.39Å
208A97.4Very high81.1Confident0 Ų065.8 Ų65.80%034%0.337CS..EExtended strand (participates in β ladder)trans-124151.8163.600000110V184 I185 V186 A187 V256 V257 V260V184-A208 HydrophobicContact CG2-CB 4Å; I185-A208 PolarHBondContact O-N 3.02Å; V186-A208 CarbonylContact C-O 3.58Å; V186-A208 VanDerWaalsContact CA-O 3.31Å; V186-A208 WeakPolarHBondContact CA-O 3.46Å; V186-A208 HydrophobicContact CG2-CB 4.32Å; A187-A208 PolarHBondContact N-O 2.94Å; A208-V256 HydrophobicContact CB-CG1 4.02Å; A208-V257 CarbonylContact C-O 3.42Å; A208-V257 WeakPolarHBondContact CA-O 3.46Å; A208-V260 HydrophobicContact CB-CG1 3.7Å
209V96.7Very high79Confident33 Ų3369.5 Ų69.520%0.236%0.363CS..EExtended strand (participates in β ladder)trans-129.1129.9-179.9-177.30000108.8A187 A193 I207 V257A187-V209 HydrophobicContact CB-CB 4.38Å; A187-V209 HydrophobicContact CB-CG1 4.16Å; A187-V209 HydrophobicContact CB-CG2 4.1Å; A193-V209 HydrophobicContact CB-CG2 4.32Å; I207-V209 HydrophobicContact CD1-CG2 4.32Å; I207-V209 HydrophobicContact CG1-CG2 4.39Å; V209-V257 PolarHBondContact N-O 2.91Å; V209-V257 PolarHBondContact O-N 3.16Å
210I92.9Very high76.7Confident6 Ų673.7 Ų73.73%0.03139%0.386CS..EExtended strand (participates in β ladder)trans-86.9132.9172.8-60.8179000108.4V186 A187 K188 S189 P190 I254 T255 V256 A281 L285V186-I210 HydrophobicContact CG1-CD1 3.88Å; V186-I210 HydrophobicContact CG1-CG1 3.91Å; A187-I210 PolarHBondContact O-N 3.05Å; K188-I210 WeakPolarHBondContact O-CB 3.14Å; S189-I210 WeakPolarHBondContact CA-O 3.39Å; P190-I210 WeakPolarHBondContact CD-O 3.33Å; I210-I254 HydrophobicContact CG2-CG2 3.55Å; I210-T255 WeakPolarHBondContact CA-O 3.46Å; I210-V256 HydrophobicContact CG1-CG2 4.28Å; I210-A281 HydrophobicContact CD1-CB 3.28Å; I210-L285 HydrophobicContact CD1-CD1 4.26Å; I210-L285 HydrophobicContact CD1-CG 4.26Å
211H86.4Confident74.4Confident72 Ų7280.4 Ų80.433%0.33342%0.418SS..EExtended strand (participates in β ladder)trans-132.7157173.684.771.7000111.1P190 I254 T255P190-H211 HydrophobicContact CG-CB 4.48Å; H211-I254 CarbonylContact O-C 3.52Å; H211-I254 WeakPolarHBondContact O-CA 3.17Å; H211-T255 PolarHBondContact CD2-OG1 2.89Å; H211-T255 PolarHBondContact CE1-OG1 2.86Å; H211-T255 PolarHBondContact N-O 3.2Å; H211-T255 PolarHBondContact ND1-OG1 3.47Å; H211-T255 PolarHBondContact NE2-OG1 3.41Å; H211-T255 PolarHBondContact O-N 3.49Å; H211-T255 PolarHBondContact O-OG1 3.26Å
212G75.1Confident72.3Confident31 Ų3179.4 Ų79.432%0.3242%0.419SS..SBendtrans105.2169.4-172.300000110.9P252G212-P252 WeakPolarHBondContact CA-O 3.43Å
213E64Low70.1Confident61 Ų6178.2 Ų78.229%0.28542%0.418SS..  trans-121.1139.5178.6-68-177.5-158.800108.6A217 K251 P252E213-A217 HydrophobicContact CB-CB 4.48Å; E213-K251 HydrophobicContact CB-CD 4.28Å; E213-K251 WeakPolarHBondContact OE2-CD 3.49Å; E213-K251 WeakPolarHBondContact OE2-CE 3.37Å; E213-K251 IonicContact OE2-NZ 3.68Å; E213-K251 PolarHBondContact OE2-NZ 3.34Å; E213-P252 PolarHBondContact N-O 3.29Å
214A54.3Low68.1Low40 Ų4081.1 Ų81.133%0.33145%0.449SS..  trans-59.7147.4164.300000108D216 A217 I254A214-D216 PolarHBondContact O-N 3.26Å; A214-A217 PolarHBondContact O-N 3.11Å; A214-A217 VanDerWaalsContact O-N 3.13Å; A214-I254 HydrophobicContact CB-CD1 3.86Å
215Q46.2Very low66.1Low199 Ų19977.9 Ų77.993%0.9344%0.437SS*.THydrogen-bonded Turntrans-55.5-11.8-174.1-82.6-173.9-22.600114.5
216D40.9Very low63.8Low155 Ų15585.4 Ų85.483%0.82947%0.471SS*.THydrogen-bonded Turntrans-120.211.7-177.6-63.4-49.5000115.9A214 E218A214-D216 PolarHBondContact O-N 3.26Å; D216-E218 PolarHBondContact O-N 2.59Å
217A42.4Very low61.6Low38 Ų3887.9 Ų87.931%0.31448%0.483SS..  trans-77.289.8179.200000112.4E213 A214 S219E213-A217 HydrophobicContact CB-CB 4.48Å; A214-A217 PolarHBondContact O-N 3.11Å; A214-A217 VanDerWaalsContact O-N 3.13Å; A217-S219 PolarHBondContact O-N 2.76Å
218E43.9Very low59Low200 Ų20089.9 Ų89.994%0.93550%0.5SS*.  trans-73.161.2167.7-80.6-152145.200112.4D216D216-E218 PolarHBondContact O-N 2.59Å
219S49.9Very low56.5Low82 Ų8295.7 Ų95.757%0.57354%0.538SS*.  trans-164.296.7163.358.60000111.4A217A217-S219 PolarHBondContact O-N 2.76Å
220D48.4Very low53.9Low91 Ų91100.7 Ų100.749%0.48757%0.569SS.*  trans168.851.7135.2-84.3-5.4000114.9R120 V222R120-D220 IonicContact CZ-OD1 2.61Å; R120-D220 IonicContact CZ-OD2 3.02Å; R120-D220 IonicContact NE-OD1 3.92Å; R120-D220 IonicContact NH1-OD1 2.91Å; R120-D220 PolarHBondContact NH1-OD1 3.14Å; R120-D220 IonicContact NH1-OD2 3.04Å; R120-D220 IonicContact NH2-OD1 2.79Å; R120-D220 PolarHBondContact NH2-OD1 2.86Å; R120-D220 IonicContact NH2-OD2 3.76Å; R120-D220 PolarHBondContact NH2-OD2 3.06Å; D220-V222 PolarHBondContact O-N 3.24Å
221M48.5Very low51.5Low149 Ų149104.2 Ų104.273%0.73460%0.598SS**  trans-83.196.8160.5-68.7-156.1128.700110.3D223M221-D223 PolarHBondContact O-N 3.5Å
222V51.4Low49.3Very low99 Ų99110.2 Ų110.260%0.662%0.624SS**  trans-68.4118.6162.5-176.80000107.1D220 G224D220-V222 PolarHBondContact O-N 3.24Å; V222-G224 PolarHBondContact O-N 3.16Å
223D47.9Very low47.5Very low40 Ų40115.7 Ų115.721%0.21465%0.645CS.*  trans-75.4123.617370.219.1000109K121 M221 R225K121-D223 WeakPolarHBondContact CA-OD2 3.16Å; M221-D223 PolarHBondContact O-N 3.5Å; D223-R225 HydrophobicContact CB-CG 4.32Å; D223-R225 PolarHBondContact O-N 2.86Å; D223-R225 WeakPolarHBondContact OD1-CG 3.47Å; D223-R225 IonicContact OD1-NE 2.97Å; D223-R225 IonicContact OD2-CZ 3.02Å; D223-R225 IonicContact OD2-NE 3.9Å; D223-R225 PolarHBondContact OD2-NE 2.86Å; D223-R225 IonicContact OD2-NH2 2.7Å; D223-R225 PolarHBondContact OD2-NH2 2.97Å
224G54.9Low46.6Very low64 Ų64119.7 Ų119.766%0.6667%0.674SS**  trans-68.639.7-173.800000114.8V222 H226V222-G224 PolarHBondContact O-N 3.16Å; G224-H226 PolarHBondContact O-N 2.57Å
225R54.8Low46Very low147 Ų147121.7 Ų121.756%0.55569%0.69SS**THydrogen-bonded Turntrans-797.6-175.6-64.3-172.2-164.6171.624.8114.8D223 S227D223-R225 HydrophobicContact CB-CG 4.32Å; D223-R225 PolarHBondContact O-N 2.86Å; D223-R225 WeakPolarHBondContact OD1-CG 3.47Å; D223-R225 IonicContact OD1-NE 2.97Å; D223-R225 IonicContact OD2-CZ 3.02Å; D223-R225 IonicContact OD2-NE 3.9Å; D223-R225 PolarHBondContact OD2-NE 2.86Å; D223-R225 IonicContact OD2-NH2 2.7Å; D223-R225 PolarHBondContact OD2-NH2 2.97Å; R225-S227 PolarHBondContact O-N 3.42Å
226H48.8Very low45.8Very low183 Ų183116.9 Ų116.985%0.84769%0.685SS**THydrogen-bonded Turntrans-78.3-1.1169-68.287.9000112.8G224G224-H226 PolarHBondContact O-N 2.57Å
227S50.8Low45.9Very low87 Ų87117.6 Ų117.661%0.60869%0.687SS**SBendtrans-74.6134.9161.8-56.20000109.4R225R225-S227 PolarHBondContact O-N 3.42Å
228P43Very low46.2Very low111 Ų111122 Ų12272%0.72170%0.701SS**PPolyproline II helixtrans-52.8148.1177.4-20.830.2000111T230P228-T230 PolarHBondContact O-N 2.75Å
229P44.8Very low46.5Very low122 Ų122118.7 Ų118.779%0.79270%0.696SS**PPolyproline II helixtrans-58.9129.3177.524.8-31.7000109.2A231P229-A231 PolarHBondContact O-N 2.87Å
230T42.6Very low46.7Very low138 Ų138118.8 Ų118.885%0.84770%0.697SS**  trans-57.1112.7168.3-34.50000107P228 K232P228-T230 PolarHBondContact O-N 2.75Å; T230-K232 PolarHBondContact O-N 3.12Å; T230-K232 VanDerWaalsContact O-N 3.15Å
231A41.7Very low46.9Very low79 Ų79121.2 Ų121.265%0.65371%0.709SS**  trans-51.7125.4173.800000107.9P229 N233P229-A231 PolarHBondContact O-N 2.87Å; A231-N233 PolarHBondContact O-N 2.73Å
232K41.2Very low47.2Very low199 Ų199123.1 Ų123.187%0.86572%0.716SS**  trans-68.582.8175.8-75.8-175.7177.2-179.60108.9T230 V234T230-K232 PolarHBondContact O-N 3.12Å; T230-K232 VanDerWaalsContact O-N 3.15Å; K232-V234 PolarHBondContact O-N 2.85Å
233N36.6Very low47.5Very low145 Ų145125.5 Ų125.578%0.77572%0.724SS**  trans-78101.7157.3-79.5-17.6000107.1A231 A235A231-N233 PolarHBondContact O-N 2.73Å; N233-A235 PolarHBondContact O-N 3.5Å
234V46.3Very low48Very low146 Ų146128.8 Ų128.889%0.88575%0.748SS**  trans-72.580.9162.1-175.90000106.4K232K232-V234 PolarHBondContact O-N 2.85Å
235A41.2Very low47.8Very low81 Ų81134.3 Ų134.367%0.66976%0.759SS**  trans-147.6113.4172.400000109.7N233N233-A235 PolarHBondContact O-N 3.5Å
236A41.4Very low47.7Very low99 Ų99135.3 Ų135.382%0.81877%0.774SS**  trans49.197.6160.100000117.4H238A236-H238 PolarHBondContact O-N 2.89Å; A236-H238 VanDerWaalsContact O-N 3.11Å
237I44.3Very low47.9Very low169 Ų169133.7 Ų133.787%0.86777%0.77SS**  trans-64108.5156.1-61.3170.8000106.7
238H48.5Very low48.1Very low132 Ų132134.8 Ų134.861%0.61178%0.775SS**  trans-68.4129.1166.8-146-86.6000107.6A236 S240A236-H238 PolarHBondContact O-N 2.89Å; A236-H238 VanDerWaalsContact O-N 3.11Å; H238-S240 PolarHBondContact ND1-OG 2.77Å; H238-S240 PolarHBondContact O-N 2.95Å
239P50.7Low48.7Very low130 Ų130139.2 Ų139.284%0.84478%0.783SS**THydrogen-bonded Turntrans-72.219.7-172.328-33.7000114.6
240S52.3Low49.2Very low83 Ų83142.2 Ų142.258%0.5879%0.786SS**THydrogen-bonded Turntrans-137.312.9-169.462.90000114.6H238H238-S240 PolarHBondContact ND1-OG 2.77Å; H238-S240 PolarHBondContact O-N 2.95Å
241L53.5Low49.9Very low142 Ų142141.1 Ų141.174%0.74377%0.77SS**  trans-105.792.7168.7-101.698.4000110I243L241-I243 PolarHBondContact O-N 3.09Å
242E54.1Low50.8Low189 Ų189140.8 Ų140.888%0.88376%0.761SS**  trans-70.2113.4158.3-72.2-176.8166.600107.8P244E242-P244 WeakPolarHBondContact O-CD 3.44Å
243I59.3Low52.4Low150 Ų150136 Ų13677%0.76975%0.75SS**  trans-68.6120169.3-60175000106.1L241 M245L241-I243 PolarHBondContact O-N 3.09Å; I243-M245 PolarHBondContact O-N 3.28Å
244P56.5Low54.6Low109 Ų109130.9 Ų130.971%0.70872%0.722SS**  trans-56.8127.7178.4-2232000109.6E242 L246E242-P244 WeakPolarHBondContact O-CD 3.44Å; P244-L246 PolarHBondContact O-N 3.09Å
245M51.1Low56.6Low180 Ų180125.7 Ų125.789%0.88769%0.691SS**  trans-60.8113.9170.3-73.3-165-60.200108.1I243 I247I243-M245 PolarHBondContact O-N 3.28Å; M245-I247 PolarHBondContact O-N 3.29Å
246L53.4Low59.1Low168 Ų168122.1 Ų122.188%0.8866%0.661SS**  trans-63.4105169.3-80.7159.8000107.4P244 P248P244-L246 PolarHBondContact O-N 3.09Å; L246-P248 WeakPolarHBondContact O-CD 3.31Å
247I53.7Low61.6Low149 Ų149121.5 Ų121.576%0.76465%0.647SS**  trans-57.3123.7167.9-57.1170.8000106M245 K249M245-I247 PolarHBondContact O-N 3.29Å; I247-K249 PolarHBondContact O-N 3.21Å; I247-K249 VanDerWaalsContact O-N 3.08Å
248P54.6Low64Low110 Ų110115.3 Ų115.371%0.71463%0.625SS**  trans-54.1121.6173.3-21.832000108L246 E250L246-P248 WeakPolarHBondContact O-CD 3.31Å; P248-E250 PolarHBondContact O-N 3.29Å
249K54.5Low66.2Low204 Ų204113.7 Ų113.789%0.88762%0.621SS**  trans-59115.6170.4-81.7-174.4173.8-178.20107I247 K251I247-K249 PolarHBondContact O-N 3.21Å; I247-K249 VanDerWaalsContact O-N 3.08Å; K249-K251 PolarHBondContact O-N 2.99Å
250E54.8Low68.4Low184 Ų184107.6 Ų107.686%0.8658%0.581SS**PPolyproline II helixtrans-55.5131.8168.2-76.2-175.8163.400108.3P248P248-E250 PolarHBondContact O-N 3.29Å
251K58.4Low70.5Confident116 Ų116105.3 Ų105.350%0.50457%0.57SS.*PPolyproline II helixtrans-67.5128-178.7-70.4172.7172.2-1720108.1E213 K249E213-K251 HydrophobicContact CB-CD 4.28Å; E213-K251 WeakPolarHBondContact OE2-CD 3.49Å; E213-K251 WeakPolarHBondContact OE2-CE 3.37Å; E213-K251 IonicContact OE2-NZ 3.68Å; E213-K251 PolarHBondContact OE2-NZ 3.34Å; K249-K251 PolarHBondContact O-N 2.99Å
252P60.3Low72.6Confident71 Ų71100.8 Ų100.846%0.46156%0.558SS.*PPolyproline II helixtrans-65.7143.9-179.725.5-31.5000110.2G212 E213G212-P252 WeakPolarHBondContact CA-O 3.43Å; E213-P252 PolarHBondContact N-O 3.29Å
253P74.9Confident74.7Confident98 Ų9895.5 Ų95.564%0.63653%0.53SS*.PPolyproline II helixtrans-59.6157.4174.326.7-34.2000110.7T255P253-T255 PolarHBondContact O-N 2.78Å
254I83Confident76.5Confident39 Ų3988.4 Ų88.420%0.249%0.494CS..PPolyproline II helixtrans-59.9128.3176.5-65.3176000109.3I210 H211 A214 A280 T284I210-I254 HydrophobicContact CG2-CG2 3.55Å; H211-I254 CarbonylContact O-C 3.52Å; H211-I254 WeakPolarHBondContact O-CA 3.17Å; A214-I254 HydrophobicContact CB-CD1 3.86Å; I254-A280 HydrophobicContact CD1-CB 3.59Å; I254-T284 HydrophobicContact CG2-CG2 4.18Å; I254-T284 WeakPolarHBondContact CG2-OG1 3.44Å
255T88.9Confident78.6Confident36 Ų3683.2 Ų83.222%0.22146%0.46CS..EExtended strand (participates in β ladder)trans-142.6159.5177.555.90000110.6I210 H211 P253I210-T255 WeakPolarHBondContact CA-O 3.46Å; H211-T255 PolarHBondContact CD2-OG1 2.89Å; H211-T255 PolarHBondContact CE1-OG1 2.86Å; H211-T255 PolarHBondContact N-O 3.2Å; H211-T255 PolarHBondContact ND1-OG1 3.47Å; H211-T255 PolarHBondContact NE2-OG1 3.41Å; H211-T255 PolarHBondContact O-N 3.49Å; H211-T255 PolarHBondContact O-OG1 3.26Å; P253-T255 PolarHBondContact O-N 2.78Å
256V93.1Very high80.8Confident7 Ų774.7 Ų74.74%0.04242%0.418CS..EExtended strand (participates in β ladder)trans-107.6132.1179.4-175.70000109.4A208 I210 V260 T284 L285 R288A208-V256 HydrophobicContact CB-CG1 4.02Å; I210-V256 HydrophobicContact CG1-CG2 4.28Å; V256-V260 HydrophobicContact CG1-CG1 3.92Å; V256-T284 HydrophobicContact CG2-CG2 3.64Å; V256-L285 HydrophobicContact CG1-CD2 4.41Å; V256-L285 HydrophobicContact CG2-CD2 4.17Å; V256-R288 PolarHBondContact O-NH1 2.83Å
257V94.1Very high83Confident85 Ų8566.7 Ų66.752%0.51538%0.376SS..EExtended strand (participates in β ladder)trans-106.7111.6168.2175.90000107.9A208 V209A208-V257 CarbonylContact C-O 3.42Å; A208-V257 WeakPolarHBondContact CA-O 3.46Å; V209-V257 PolarHBondContact N-O 2.91Å; V209-V257 PolarHBondContact O-N 3.16Å
258G93.1Very high85Confident40 Ų4059.6 Ų59.641%0.41234%0.34SS..SBendtrans130.7161-17400000111.9
259D95Very high87Confident97 Ų9755.1 Ų55.152%0.51931%0.31SS..  trans-90.4120176.5177.431000110.7G261 R263D259-G261 PolarHBondContact OD1-N 3.47Å; D259-R263 IonicContact OD2-CZ 3.52Å; D259-R263 IonicContact OD2-NE 3.69Å; D259-R263 IonicContact OD2-NH2 3.88Å; D259-R263 PolarHBondContact OD2-NH2 3.49Å
260V97.1Very high89Confident2 Ų245.8 Ų45.81%0.01227%0.27CS..  trans-123.5-4.4-178.4-54.50000112.8V184 A208 V256 G262 R263 L285 R288V184-V260 HydrophobicContact CG1-CB 4.18Å; V184-V260 HydrophobicContact CG1-CG1 3.93Å; A208-V260 HydrophobicContact CB-CG1 3.7Å; V256-V260 HydrophobicContact CG1-CG1 3.92Å; V260-G262 PolarHBondContact O-N 3.32Å; V260-R263 PolarHBondContact O-N 3.06Å; V260-L285 HydrophobicContact CB-CD2 4.34Å; V260-L285 HydrophobicContact CG1-CD2 3.92Å; V260-L285 HydrophobicContact CG2-CD2 4.32Å; V260-R288 HydrophobicContact CG2-CB 3.5Å
261G97.1Very high91Very high35 Ų3537.5 Ų37.536%0.36123%0.231SC..THydrogen-bonded Turntrans-70.7130-172.800000112.2D259 R263 R288D259-G261 PolarHBondContact OD1-N 3.47Å; G261-R263 PolarHBondContact O-N 3.03Å; G261-R288 WeakPolarHBondContact CA-O 3.34Å
262G97.1Very high92.8Very high47 Ų4732 Ų3249%0.48521%0.207SC..THydrogen-bonded Turntrans69.316.3-179.500000114.3N182 V260 G289 Y291N182-G262 PolarHBondContact ND2-O 3.34Å; V260-G262 PolarHBondContact O-N 3.32Å; G262-G289 PolarHBondContact N-O 3.26Å; G262-Y291 WeakPolarHBondContact O-CE1 3.43Å
263R98.1Very high94.4Very high78 Ų7830.2 Ų30.229%0.29419%0.194SC..SBendtrans-117.7163.2-177.8-62.6-174.8-162.3-147.48.3112N182 V184 D259 V260 G261 A290 Y291N182-R263 WeakPolarHBondContact O-CA 3.45Å; N182-R263 VanDerWaalsContact O-CB 3.25Å; N182-R263 WeakPolarHBondContact O-CB 3.34Å; V184-R263 HydrophobicContact CG1-CB 4.27Å; D259-R263 IonicContact OD2-CZ 3.52Å; D259-R263 IonicContact OD2-NE 3.69Å; D259-R263 IonicContact OD2-NH2 3.88Å; D259-R263 PolarHBondContact OD2-NH2 3.49Å; V260-R263 PolarHBondContact O-N 3.06Å; G261-R263 PolarHBondContact O-N 3.03Å; R263-A290 WeakPolarHBondContact O-CA 3.32Å; R263-Y291 VanDerWaalsContact O-CD1 3.29Å; R263-Y291 WeakPolarHBondContact O-CD1 3.46Å; R263-Y291 PolarHBondContact O-N 2.84Å
264I98.6Very high95Very high2 Ų229.9 Ų29.91%0.0119%0.187CC..EExtended strand (participates in β ladder)trans-78.5128.6164.7-56.8180000107.6I177 P178 N182 A183 V184 I266 Y291 K292 F294I177-I264 HydrophobicContact CG2-CD1 4.15Å; P178-I264 WeakPolarHBondContact O-CD1 3.32Å; N182-I264 PolarHBondContact O-N 2.97Å; A183-I264 CarbonylContact C-O 3.56Å; A183-I264 WeakPolarHBondContact CA-O 3.38Å; A183-I264 HydrophobicContact CB-CB 3.83Å; A183-I264 HydrophobicContact CB-CG2 4.25Å; A183-I264 WeakPolarHBondContact CB-O 3.32Å; V184-I264 PolarHBondContact N-O 3.38Å; I264-I266 HydrophobicContact CG2-CG1 4.1Å; I264-Y291 HydrophobicContact CG1-CE1 3.99Å; I264-Y291 HydrophobicContact CG1-CE2 3.97Å; I264-Y291 VanDerWaalsContact CG1-CZ 3.45Å; I264-Y291 WeakPolarHBondContact CG1-OH 3.22Å; I264-K292 HydrophobicContact CG1-CB 4.29Å; I264-K292 HydrophobicContact CG2-CB 4.12Å; I264-F294 HydrophobicContact CG2-CD2 3.51Å; I264-F294 HydrophobicContact CG2-CE2 3.6Å
265A98.6Very high95.6Very high0 Ų028.1 Ų28.10%018%0.178CC..EExtended strand (participates in β ladder)trans-97.4125172.700000110.1V184 V186 L285 A290 K292 I293 F294V184-A265 HydrophobicContact CG1-CB 4.48Å; V186-A265 HydrophobicContact CG2-CB 3.94Å; A265-L285 HydrophobicContact CB-CB 4.42Å; A265-L285 HydrophobicContact CB-CD1 3.95Å; A265-L285 HydrophobicContact CB-CD2 4.31Å; A265-L285 HydrophobicContact CB-CG 4.45Å; A265-A290 HydrophobicContact CB-CB 3.91Å; A265-K292 PolarHBondContact N-O 3.15Å; A265-I293 CarbonylContact O-C 3.5Å; A265-I293 WeakPolarHBondContact O-CA 3.38Å; A265-F294 PolarHBondContact O-N 2.93Å
266I98.7Very high95.7Very high0 Ų031 Ų310%019%0.192CC..EExtended strand (participates in β ladder)trans-115.1100.3176.6-53.6175.8000108.1I173 I177 A183 V184 I185 V186 I264 V268 F294 M296I173-I266 HydrophobicContact CD1-CD1 4.5Å; I173-I266 HydrophobicContact CD1-CG2 4.26Å; I173-I266 HydrophobicContact CG1-CD1 4.45Å; I173-I266 HydrophobicContact CG2-CD1 3.89Å; I177-I266 HydrophobicContact CD1-CD1 3.94Å; I177-I266 HydrophobicContact CD1-CG1 4.44Å; A183-I266 HydrophobicContact CB-CD1 3.71Å; A183-I266 HydrophobicContact CB-CG1 4.09Å; V184-I266 PolarHBondContact O-N 2.74Å; I185-I266 CarbonylContact C-O 3.49Å; I185-I266 HydrophobicContact CD1-CB 3.98Å; I185-I266 HydrophobicContact CD1-CD1 4.17Å; I185-I266 HydrophobicContact CD1-CG2 4.39Å; V186-I266 PolarHBondContact N-O 3.39Å; I264-I266 HydrophobicContact CG2-CG1 4.1Å; I266-V268 HydrophobicContact CG2-CG2 4.25Å; I266-F294 CarbonylContact C-O 3.57Å; I266-F294 HydrophobicContact CG1-CB 4.28Å; I266-F294 HydrophobicContact CG2-CB 4.26Å; I266-M296 HydrophobicContact CG2-CE 4.33Å; I266-M296 HydrophobicContact CG2-CG 3.57Å
267I98.4Very high95.6Very high0 Ų032.8 Ų32.80%021%0.205CC..EExtended strand (participates in β ladder)trans-72.5127.5175.2-55.7174.3000108.5V186 K188 F278 A281 L285 I293 F294 V295 M296V186-I267 HydrophobicContact CB-CG1 4.13Å; V186-I267 HydrophobicContact CG1-CG1 4.33Å; V186-I267 CarbonylContact O-C 3.6Å; V186-I267 VanDerWaalsContact O-CA 3.3Å; V186-I267 WeakPolarHBondContact O-CA 3.45Å; K188-I267 HydrophobicContact CB-CG2 4.07Å; I267-F278 HydrophobicContact CG2-CD1 4.14Å; I267-F278 HydrophobicContact CG2-CE1 4.2Å; I267-A281 HydrophobicContact CD1-CB 3.99Å; I267-L285 HydrophobicContact CD1-CD1 3.75Å; I267-L285 HydrophobicContact CG1-CD1 3.81Å; I267-I293 HydrophobicContact CD1-CG2 4.14Å; I267-F294 PolarHBondContact N-O 3.31Å; I267-V295 HydrophobicContact CB-CG2 4.27Å; I267-V295 HydrophobicContact CD1-CG2 4.23Å; I267-V295 CarbonylContact O-C 3.42Å; I267-V295 WeakPolarHBondContact O-CA 3.35Å; I267-M296 PolarHBondContact O-N 3.16Å
268V97.5Very high95.6Very high1 Ų128.9 Ų28.91%0.00618%0.181CC..EExtended strand (participates in β ladder)trans-119.6126.6178.2-176.50000110.1I185 V186 R195 F199 I266 M296I185-V268 HydrophobicContact CG2-CB 4.38Å; I185-V268 HydrophobicContact CG2-CG2 3.68Å; V186-V268 PolarHBondContact O-N 3.21Å; R195-V268 HydrophobicContact CG-CG1 3.83Å; F199-V268 HydrophobicContact CB-CG2 4.44Å; F199-V268 HydrophobicContact CD1-CG1 4.28Å; F199-V268 HydrophobicContact CD1-CG2 4Å; F199-V268 HydrophobicContact CD2-CG1 3.88Å; F199-V268 HydrophobicContact CE1-CG1 4.21Å; F199-V268 HydrophobicContact CE1-CG2 4.42Å; F199-V268 HydrophobicContact CE2-CG1 3.82Å; F199-V268 HydrophobicContact CG-CG1 4.11Å; F199-V268 HydrophobicContact CG-CG2 4.16Å; F199-V268 HydrophobicContact CZ-CG1 3.98Å; I266-V268 HydrophobicContact CG2-CG2 4.25Å; V268-M296 WeakPolarHBondContact CA-O 3.41Å; V268-M296 HydrophobicContact CG2-CB 4.23Å
269D95.9Very high95.8Very high16 Ų1628.4 Ų28.49%0.08617%0.169CC..EExtended strand (participates in β ladder)trans-140.9173.3174.2-141.4-34.4000111.1K188 R195 F278 M296 A297K188-D269 WeakPolarHBondContact CE-OD2 3.43Å; K188-D269 IonicContact NZ-OD2 2.82Å; R195-D269 VanDerWaalsContact CD-C 3.48Å; D269-F278 HydrophobicContact CB-CE1 3.96Å; D269-F278 HydrophobicContact CB-CZ 3.81Å; D269-M296 PolarHBondContact N-O 3.28Å; D269-A297 VanDerWaalsContact O-CA 3.31Å; D269-A297 WeakPolarHBondContact O-CA 3.48Å
270D95.6Very high95.7Very high8 Ų825 Ų254%0.04315%0.154CC..EExtended strand (participates in β ladder)trans-85.5-38.4174.566.6-53.3000112.5H148 T298 H299H148-D270 VanDerWaalsContact CA-OD2 3.24Å; H148-D270 WeakPolarHBondContact CA-OD2 3.16Å; H148-D270 WeakPolarHBondContact CB-OD2 3.47Å; H148-D270 IonicContact CE1-OD1 3.5Å; H148-D270 IonicContact CE1-OD2 3.88Å; H148-D270 IonicContact CG-OD2 2.79Å; H148-D270 IonicContact ND1-OD1 3.21Å; H148-D270 PolarHBondContact ND1-OD1 3.42Å; H148-D270 IonicContact ND1-OD2 3.5Å; H148-D270 PolarHBondContact ND1-OD2 2.94Å; D270-T298 PolarHBondContact O-N 3.22Å; D270-T298 VanDerWaalsContact O-N 3.09Å; D270-H299 PolarHBondContact O-CD2 3.19Å; D270-H299 PolarHBondContact O-N 2.82Å
271I96.8Very high95.6Very high10 Ų1025 Ų255%0.05115%0.154CC..EExtended strand (participates in β ladder)trans-132.6132.9-173.2-63.5161.3000109.8Y110 K115 H148 D273 H299 L301Y110-I271 HydrophobicContact CE2-CD1 3.91Å; Y110-I271 HydrophobicContact CE2-CG1 4.25Å; K115-I271 HydrophobicContact CD-CD1 4.22Å; K115-I271 HydrophobicContact CG-CD1 3.98Å; H148-I271 HydrophobicContact CB-CD1 4.26Å; I271-D273 HydrophobicContact CG2-CB 3.93Å; I271-H299 WeakPolarHBondContact CA-O 3.35Å; I271-H299 HydrophobicContact CB-CB 4.43Å; I271-H299 HydrophobicContact CG1-CB 3.88Å; I271-L301 HydrophobicContact CG2-CD1 3.66Å
272I96.5Very high95.6Very high0 Ų023.3 Ų23.30%014%0.137CC..EExtended strand (participates in β ladder)trans-111.2117.7161.7-172.9172.4000109.1V275 F278 V295 A297 H299 L301 L302 I310 V318 V320I272-V275 HydrophobicContact CD1-CG1 4.12Å; I272-V275 HydrophobicContact CG1-CG1 4.03Å; I272-F278 HydrophobicContact CB-CE2 4.24Å; I272-F278 HydrophobicContact CB-CZ 4.18Å; I272-F278 HydrophobicContact CD1-CD2 4.49Å; I272-F278 HydrophobicContact CD1-CG 4.5Å; I272-F278 HydrophobicContact CG1-CD2 4.14Å; I272-F278 HydrophobicContact CG1-CE2 3.95Å; I272-F278 HydrophobicContact CG1-CZ 4.27Å; I272-V295 HydrophobicContact CD1-CG1 4.25Å; I272-A297 HydrophobicContact CB-CB 4.23Å; I272-A297 HydrophobicContact CG2-CB 4.02Å; I272-H299 PolarHBondContact N-O 2.8Å; I272-L301 PolarHBondContact O-N 2.61Å; I272-L302 HydrophobicContact CD1-CD2 3.98Å; I272-L302 HydrophobicContact CG1-CD2 4.05Å; I272-L302 HydrophobicContact CG2-CD2 3.96Å; I272-L302 HydrophobicContact CG2-CG 4.24Å; I272-L302 PolarHBondContact O-N 3.44Å; I272-L302 VanDerWaalsContact O-N 3.09Å; I272-I310 HydrophobicContact CD1-CD1 4.11Å; I272-V318 HydrophobicContact CD1-CG1 3.94Å; I272-V320 HydrophobicContact CG2-CG1 3.55Å
273D93.6Very high95.6Very high34 Ų3425 Ų2518%0.18213%0.132CC..SBendtrans-135.7-78.6-172.7175.328.8000109.5K115 I271 L301 S303K115-D273 IonicContact NZ-OD2 3.18Å; K115-D273 PolarHBondContact NZ-OD2 3.29Å; I271-D273 HydrophobicContact CG2-CB 3.93Å; D273-L301 HydrophobicContact CB-CB 3.82Å; D273-L301 HydrophobicContact CB-CD2 4.19Å; D273-L301 HydrophobicContact CB-CG 4.47Å; D273-S303 PolarHBondContact O-N 2.86Å; D273-S303 VanDerWaalsContact OD1-CB 3.22Å; D273-S303 WeakPolarHBondContact OD1-CB 3.3Å; D273-S303 PolarHBondContact OD1-OG 2.96Å
274D88.9Confident95.4Very high91 Ų9122 Ų2249%0.48712%0.123SC..SBendtrans-80.8132.2160.3175.420.6000109.2D276D274-D276 PolarHBondContact OD1-N 3.02Å
275V94.2Very high95.4Very high2 Ų222 Ų221%0.01212%0.122CC..  trans-100.8-15.3-170.4-65.60000113.2I272 S277 F278 L279 A306 L309 I310I272-V275 HydrophobicContact CD1-CG1 4.12Å; I272-V275 HydrophobicContact CG1-CG1 4.03Å; V275-S277 VanDerWaalsContact C-N 3.26Å; V275-S277 PolarHBondContact O-N 3.49Å; V275-S277 VanDerWaalsContact O-N 3.12Å; V275-F278 CarbonylContact O-C 3.51Å; V275-F278 WeakPolarHBondContact O-CA 3.33Å; V275-F278 VanDerWaalsContact O-CB 3.3Å; V275-F278 WeakPolarHBondContact O-CB 3.46Å; V275-F278 PolarHBondContact O-N 3.26Å; V275-L279 HydrophobicContact CB-CD2 4.45Å; V275-L279 HydrophobicContact CB-CG 4.41Å; V275-L279 HydrophobicContact CG2-CD1 4.23Å; V275-L279 HydrophobicContact CG2-CG 4.37Å; V275-L279 WeakPolarHBondContact O-CG 3.23Å; V275-L279 PolarHBondContact O-N 3.17Å; V275-A306 HydrophobicContact CB-CB 4.43Å; V275-A306 HydrophobicContact CG1-CB 3.49Å; V275-A306 VanDerWaalsContact CG1-CB 3.49Å; V275-A306 HydrophobicContact CG2-CB 4.05Å; V275-L309 HydrophobicContact CG2-CB 3.87Å; V275-L309 HydrophobicContact CG2-CD1 3.69Å; V275-L309 HydrophobicContact CG2-CG 4.44Å; V275-I310 HydrophobicContact CG1-CD1 3.91Å; V275-I310 HydrophobicContact CG1-CG1 4.05Å
276D91.7Very high95.3Very high95 Ų9527.5 Ų27.551%0.50815%0.147SC..Hα-helixtrans-53.7-44.1-170.5-72.3-10.3000112.6D274 F278 L279 A280D274-D276 PolarHBondContact OD1-N 3.02Å; D276-F278 VanDerWaalsContact C-N 3.32Å; D276-F278 PolarHBondContact O-N 3.11Å; D276-L279 PolarHBondContact O-N 2.93Å; D276-A280 PolarHBondContact O-N 3.14Å
277S90.6Very high95.2Very high46 Ų4635.1 Ų35.132%0.32218%0.182SC..Hα-helixtrans-66.9-28.617663.50000114.3K188 V275 A281K188-S277 PolarHBondContact NZ-OG 2.98Å; V275-S277 VanDerWaalsContact C-N 3.26Å; V275-S277 PolarHBondContact O-N 3.49Å; V275-S277 VanDerWaalsContact O-N 3.12Å; S277-A281 VanDerWaalsContact O-CB 3.23Å; S277-A281 WeakPolarHBondContact O-CB 3.3Å; S277-A281 PolarHBondContact O-N 3.49Å
278F95.3Very high95.1Very high3 Ų340.5 Ų40.51%0.01320%0.202CC..Hα-helixtrans-74.2-37.2172.3-69.3-92.5000111.3K188 I267 D269 I272 V275 D276 A281 A282 V295 I315K188-F278 HydrophobicContact CD-CD1 3.66Å; K188-F278 HydrophobicContact CD-CD2 3.7Å; K188-F278 HydrophobicContact CD-CE1 3.66Å; K188-F278 HydrophobicContact CD-CE2 3.71Å; K188-F278 HydrophobicContact CD-CG 3.68Å; K188-F278 HydrophobicContact CD-CZ 3.69Å; I267-F278 HydrophobicContact CG2-CD1 4.14Å; I267-F278 HydrophobicContact CG2-CE1 4.2Å; D269-F278 HydrophobicContact CB-CE1 3.96Å; D269-F278 HydrophobicContact CB-CZ 3.81Å; I272-F278 HydrophobicContact CB-CE2 4.24Å; I272-F278 HydrophobicContact CB-CZ 4.18Å; I272-F278 HydrophobicContact CD1-CD2 4.49Å; I272-F278 HydrophobicContact CD1-CG 4.5Å; I272-F278 HydrophobicContact CG1-CD2 4.14Å; I272-F278 HydrophobicContact CG1-CE2 3.95Å; I272-F278 HydrophobicContact CG1-CZ 4.27Å; V275-F278 CarbonylContact O-C 3.51Å; V275-F278 WeakPolarHBondContact O-CA 3.33Å; V275-F278 VanDerWaalsContact O-CB 3.3Å; V275-F278 WeakPolarHBondContact O-CB 3.46Å; V275-F278 PolarHBondContact O-N 3.26Å; D276-F278 VanDerWaalsContact C-N 3.32Å; D276-F278 PolarHBondContact O-N 3.11Å; F278-A281 WeakPolarHBondContact O-CB 3.39Å; F278-A281 PolarHBondContact O-N 2.89Å; F278-A282 WeakPolarHBondContact O-CB 3.4Å; F278-A282 PolarHBondContact O-N 2.74Å; F278-V295 HydrophobicContact CD1-CG1 3.65Å; F278-V295 HydrophobicContact CD1-CG2 4.23Å; F278-V295 HydrophobicContact CE1-CG1 3.66Å; F278-I315 HydrophobicContact CB-CD1 4.46Å
279L95.8Very high95.1Very high29 Ų2942.2 Ų42.215%0.15222%0.22CC..Hα-helixtrans-66.1-49.2176.8-52.3-175.5000110.8V275 D276 A281 A282 E283 L309 I315V275-L279 HydrophobicContact CB-CD2 4.45Å; V275-L279 HydrophobicContact CB-CG 4.41Å; V275-L279 HydrophobicContact CG2-CD1 4.23Å; V275-L279 HydrophobicContact CG2-CG 4.37Å; V275-L279 WeakPolarHBondContact O-CG 3.23Å; V275-L279 PolarHBondContact O-N 3.17Å; D276-L279 PolarHBondContact O-N 2.93Å; L279-A281 VanDerWaalsContact C-N 3.26Å; L279-A281 PolarHBondContact O-N 3.31Å; L279-A282 WeakPolarHBondContact O-CB 3.4Å; L279-A282 PolarHBondContact O-N 2.78Å; L279-E283 PolarHBondContact O-N 3.47Å; L279-L309 HydrophobicContact CD1-CB 3.87Å; L279-I315 HydrophobicContact CD2-CD1 3.94Å
280A93.8Very high95.2Very high26 Ų2641.7 Ų41.722%0.21522%0.218CC..Hα-helixtrans-60.9-38.2177.600000111.8I254 D276 T284I254-A280 HydrophobicContact CD1-CB 3.59Å; D276-A280 PolarHBondContact O-N 3.14Å; A280-T284 WeakPolarHBondContact O-CB 3.22Å; A280-T284 PolarHBondContact O-N 3.34Å; A280-T284 PolarHBondContact O-OG1 3Å
281A94.9Very high95.2Very high1 Ų146.5 Ų46.51%0.00824%0.237CC..Hα-helixtrans-60.6-47.1171.600000111.8K188 I210 I267 S277 F278 L279 T284 L285K188-A281 HydrophobicContact CG-CB 4.48Å; I210-A281 HydrophobicContact CD1-CB 3.28Å; I267-A281 HydrophobicContact CD1-CB 3.99Å; S277-A281 VanDerWaalsContact O-CB 3.23Å; S277-A281 WeakPolarHBondContact O-CB 3.3Å; S277-A281 PolarHBondContact O-N 3.49Å; F278-A281 WeakPolarHBondContact O-CB 3.39Å; F278-A281 PolarHBondContact O-N 2.89Å; L279-A281 VanDerWaalsContact C-N 3.26Å; L279-A281 PolarHBondContact O-N 3.31Å; A281-T284 PolarHBondContact O-N 3.37Å; A281-L285 WeakPolarHBondContact O-CD1 3.45Å; A281-L285 WeakPolarHBondContact O-CG 3.08Å; A281-L285 PolarHBondContact O-N 3.44Å
282A97.1Very high95.3Very high0 Ų049.5 Ų49.50%025%0.249CC..Hα-helixtrans-61.5-46.3179.800000112.3F278 L279 T284 L285 K286 I293 A314 I315F278-A282 WeakPolarHBondContact O-CB 3.4Å; F278-A282 PolarHBondContact O-N 2.74Å; L279-A282 WeakPolarHBondContact O-CB 3.4Å; L279-A282 PolarHBondContact O-N 2.78Å; A282-T284 PolarHBondContact O-N 2.83Å; A282-L285 PolarHBondContact O-N 2.98Å; A282-K286 WeakPolarHBondContact O-CB 3.12Å; A282-K286 PolarHBondContact O-N 3.43Å; A282-I293 HydrophobicContact CB-CD1 3.94Å; A282-I293 HydrophobicContact CB-CG2 4.04Å; A282-I293 WeakPolarHBondContact O-CD1 3.16Å; A282-A314 HydrophobicContact CB-CB 4.33Å; A282-I315 HydrophobicContact CB-CD1 4.34Å; A282-I315 HydrophobicContact CB-CG1 3.57Å
283E96.3Very high95.4Very high83 Ų8349.6 Ų49.639%0.38825%0.25SC..Hα-helixtrans-61-45176.7-64.9-51.5139.900111.5L279 L285 K286 E287 A314L279-E283 PolarHBondContact O-N 3.47Å; E283-L285 VanDerWaalsContact C-N 3.31Å; E283-L285 PolarHBondContact O-N 3.33Å; E283-K286 WeakPolarHBondContact O-CB 3.25Å; E283-K286 PolarHBondContact O-N 3.19Å; E283-K286 VanDerWaalsContact O-N 3.14Å; E283-E287 WeakPolarHBondContact O-CG 3.43Å; E283-E287 PolarHBondContact O-N 3.2Å; E283-A314 WeakPolarHBondContact OE1-CB 3.43Å; E283-A314 PolarHBondContact OE1-N 2.82Å
284T95.7Very high95.7Very high16 Ų1648.4 Ų48.410%0.09824%0.243CC..Hα-helixtrans-62-38.8178.1-500000111.8I254 V256 A280 A281 A282 R288I254-T284 HydrophobicContact CG2-CG2 4.18Å; I254-T284 WeakPolarHBondContact CG2-OG1 3.44Å; V256-T284 HydrophobicContact CG2-CG2 3.64Å; A280-T284 WeakPolarHBondContact O-CB 3.22Å; A280-T284 PolarHBondContact O-N 3.34Å; A280-T284 PolarHBondContact O-OG1 3Å; A281-T284 PolarHBondContact O-N 3.37Å; A282-T284 PolarHBondContact O-N 2.83Å; T284-R288 WeakPolarHBondContact O-CG 3.42Å; T284-R288 PolarHBondContact O-N 3.4Å
285L97.3Very high96.1Very high0 Ų044.1 Ų44.10%022%0.22CC..Hα-helixtrans-66.8-40.1176.7-68.5164.9000111.3V186 I210 V256 V260 A265 I267 A281 A282 E283 R288 G289 A290 I293V186-L285 HydrophobicContact CB-CD1 4.49Å; V186-L285 HydrophobicContact CG1-CD1 4.08Å; V186-L285 HydrophobicContact CG1-CD2 4.06Å; V186-L285 HydrophobicContact CG2-CD1 4.3Å; V186-L285 HydrophobicContact CG2-CD2 4.01Å; I210-L285 HydrophobicContact CD1-CD1 4.26Å; I210-L285 HydrophobicContact CD1-CG 4.26Å; V256-L285 HydrophobicContact CG1-CD2 4.41Å; V256-L285 HydrophobicContact CG2-CD2 4.17Å; V260-L285 HydrophobicContact CB-CD2 4.34Å; V260-L285 HydrophobicContact CG1-CD2 3.92Å; V260-L285 HydrophobicContact CG2-CD2 4.32Å; A265-L285 HydrophobicContact CB-CB 4.42Å; A265-L285 HydrophobicContact CB-CD1 3.95Å; A265-L285 HydrophobicContact CB-CD2 4.31Å; A265-L285 HydrophobicContact CB-CG 4.45Å; I267-L285 HydrophobicContact CD1-CD1 3.75Å; I267-L285 HydrophobicContact CG1-CD1 3.81Å; A281-L285 WeakPolarHBondContact O-CD1 3.45Å; A281-L285 WeakPolarHBondContact O-CG 3.08Å; A281-L285 PolarHBondContact O-N 3.44Å; A282-L285 PolarHBondContact O-N 2.98Å; E283-L285 VanDerWaalsContact C-N 3.31Å; E283-L285 PolarHBondContact O-N 3.33Å; L285-R288 CarbonylContact O-C 3.51Å; L285-R288 PolarHBondContact O-N 3.49Å; L285-G289 PolarHBondContact O-N 3.34Å; L285-A290 HydrophobicContact CB-CB 4.11Å; L285-A290 VanDerWaalsContact O-CB 3.24Å; L285-A290 WeakPolarHBondContact O-CB 3.47Å; L285-A290 PolarHBondContact O-N 2.63Å; L285-I293 HydrophobicContact CB-CD1 4.1Å
286K97.2Very high96.3Very high117 Ų11744 Ų4451%0.50922%0.219SC..Hα-helixtrans-65.7-44.4177.4-168.6162.5179.3175.80112.2A282 E283 R288 G289 I293 A314A282-K286 WeakPolarHBondContact O-CB 3.12Å; A282-K286 PolarHBondContact O-N 3.43Å; E283-K286 WeakPolarHBondContact O-CB 3.25Å; E283-K286 PolarHBondContact O-N 3.19Å; E283-K286 VanDerWaalsContact O-N 3.14Å; K286-R288 PolarHBondContact O-N 3.03Å; K286-G289 PolarHBondContact O-N 2.92Å; K286-I293 HydrophobicContact CB-CD1 4.13Å; K286-A314 HydrophobicContact CD-CB 3.59Å
287E96.1Very high96.6Very high159 Ų15939.5 Ų39.574%0.74320%0.195SC*.Hα-helixtrans-58.6-31.7173.7-73.6177.3175.600112.4E283 G289E283-E287 WeakPolarHBondContact O-CG 3.43Å; E283-E287 PolarHBondContact O-N 3.2Å; E287-G289 VanDerWaalsContact C-N 3.27Å; E287-G289 PolarHBondContact O-N 3.45Å
288R96.2Very high97Very high113 Ų11337.4 Ų37.443%0.42618%0.181SC..THydrogen-bonded Turntrans-87.310.7175.2-66.6-155.2-177-164.36114.6V256 V260 G261 T284 L285 K286V256-R288 PolarHBondContact O-NH1 2.83Å; V260-R288 HydrophobicContact CG2-CB 3.5Å; G261-R288 WeakPolarHBondContact CA-O 3.34Å; T284-R288 WeakPolarHBondContact O-CG 3.42Å; T284-R288 PolarHBondContact O-N 3.4Å; L285-R288 CarbonylContact O-C 3.51Å; L285-R288 PolarHBondContact O-N 3.49Å; K286-R288 PolarHBondContact O-N 3.03Å
289G96.9Very high97.1Very high37 Ų3737.4 Ų37.438%0.38118%0.181SC..THydrogen-bonded Turntrans87.315.7170.600000115.1G262 L285 K286 E287 Y291G262-G289 PolarHBondContact N-O 3.26Å; L285-G289 PolarHBondContact O-N 3.34Å; K286-G289 PolarHBondContact O-N 2.92Å; E287-G289 VanDerWaalsContact C-N 3.27Å; E287-G289 PolarHBondContact O-N 3.45Å; G289-Y291 PolarHBondContact O-N 2.54Å
290A98.2Very high97.2Very high5 Ų536 Ų364%0.04117%0.173CC..  trans-66.6126.8165.100000109.1R263 A265 L285R263-A290 WeakPolarHBondContact O-CA 3.32Å; A265-A290 HydrophobicContact CB-CB 3.91Å; L285-A290 HydrophobicContact CB-CB 4.11Å; L285-A290 VanDerWaalsContact O-CB 3.24Å; L285-A290 WeakPolarHBondContact O-CB 3.47Å; L285-A290 PolarHBondContact O-N 2.63Å
291Y97.4Very high97.3Very high110 Ų11036.3 Ų36.343%0.43117%0.171SC..SBendtrans-96.7-14.1-173.571.6-91.2000113.7G262 R263 I264 G289G262-Y291 WeakPolarHBondContact O-CE1 3.43Å; R263-Y291 VanDerWaalsContact O-CD1 3.29Å; R263-Y291 WeakPolarHBondContact O-CD1 3.46Å; R263-Y291 PolarHBondContact O-N 2.84Å; I264-Y291 HydrophobicContact CG1-CE1 3.99Å; I264-Y291 HydrophobicContact CG1-CE2 3.97Å; I264-Y291 VanDerWaalsContact CG1-CZ 3.45Å; I264-Y291 WeakPolarHBondContact CG1-OH 3.22Å; G289-Y291 PolarHBondContact O-N 2.54Å
292K98.3Very high97.3Very high73 Ų7336.4 Ų36.432%0.31717%0.171SC..EExtended strand (participates in β ladder)trans-142145.1168.9-78.4-167.3174.4-172.10110.8I264 A265 F294 D316I264-K292 HydrophobicContact CG1-CB 4.29Å; I264-K292 HydrophobicContact CG2-CB 4.12Å; A265-K292 PolarHBondContact N-O 3.15Å; K292-F294 HydrophobicContact CB-CE2 3.95Å; K292-F294 HydrophobicContact CD-CE2 4.11Å; K292-F294 HydrophobicContact CD-CZ 4.39Å; K292-D316 WeakPolarHBondContact CA-OD2 3.24Å
293I98.6Very high97Very high2 Ų238.9 Ų38.91%0.0119%0.189CC..EExtended strand (participates in β ladder)trans-131.8115.9-175.5-54.6178.6000109.6A265 I267 A282 L285 K286 A314 I315 D316 E317A265-I293 CarbonylContact O-C 3.5Å; A265-I293 WeakPolarHBondContact O-CA 3.38Å; I267-I293 HydrophobicContact CD1-CG2 4.14Å; A282-I293 HydrophobicContact CB-CD1 3.94Å; A282-I293 HydrophobicContact CB-CG2 4.04Å; A282-I293 WeakPolarHBondContact O-CD1 3.16Å; L285-I293 HydrophobicContact CB-CD1 4.1Å; K286-I293 HydrophobicContact CB-CD1 4.13Å; I293-A314 HydrophobicContact CD1-CB 4.35Å; I293-I315 HydrophobicContact CG2-CG1 4.4Å; I293-D316 PolarHBondContact N-OD2 3.16Å; I293-D316 WeakPolarHBondContact O-CB 3.24Å; I293-D316 PolarHBondContact O-N 3.01Å; I293-E317 PolarHBondContact O-N 2.93Å
294F98.8Very high96.7Very high9 Ų940.4 Ų40.44%0.03921%0.208CC..EExtended strand (participates in β ladder)trans-109.1146174.4-66.6-100.9000109.6I177 I264 A265 I266 I267 K292 M296 E317I177-F294 HydrophobicContact CD1-CB 4.28Å; I177-F294 HydrophobicContact CD1-CD1 3.54Å; I177-F294 HydrophobicContact CD1-CD2 4.14Å; I177-F294 HydrophobicContact CD1-CE1 3.85Å; I177-F294 HydrophobicContact CD1-CE2 4.38Å; I177-F294 HydrophobicContact CD1-CG 3.72Å; I177-F294 HydrophobicContact CD1-CZ 4.26Å; I177-F294 HydrophobicContact CG1-CD1 4.02Å; I177-F294 HydrophobicContact CG1-CE1 3.8Å; I177-F294 HydrophobicContact CG1-CZ 4.14Å; I177-F294 HydrophobicContact CG2-CE2 4.03Å; I177-F294 HydrophobicContact CG2-CZ 4.02Å; I264-F294 HydrophobicContact CG2-CD2 3.51Å; I264-F294 HydrophobicContact CG2-CE2 3.6Å; A265-F294 PolarHBondContact O-N 2.93Å; I266-F294 CarbonylContact C-O 3.57Å; I266-F294 HydrophobicContact CG1-CB 4.28Å; I266-F294 HydrophobicContact CG2-CB 4.26Å; I267-F294 PolarHBondContact N-O 3.31Å; K292-F294 HydrophobicContact CB-CE2 3.95Å; K292-F294 HydrophobicContact CD-CE2 4.11Å; K292-F294 HydrophobicContact CD-CZ 4.39Å; F294-M296 HydrophobicContact CB-CE 4.27Å; F294-M296 HydrophobicContact CD1-CE 4.45Å; F294-E317 CarbonylContact C-O 3.59Å; F294-E317 WeakPolarHBondContact CA-O 3.11Å; F294-E317 HydrophobicContact CD1-CB 3.65Å; F294-E317 HydrophobicContact CD1-CG 4.39Å; F294-E317 HydrophobicContact CE1-CB 3.76Å; F294-E317 HydrophobicContact CE1-CG 4.47Å
295V98.6Very high96.7Very high0 Ų044.4 Ų44.40%023%0.229CC..EExtended strand (participates in β ladder)trans-116.8129.2168.4-178.80000108.9I267 I272 F278 I315 E317 V318 V319I267-V295 HydrophobicContact CB-CG2 4.27Å; I267-V295 HydrophobicContact CD1-CG2 4.23Å; I267-V295 CarbonylContact O-C 3.42Å; I267-V295 WeakPolarHBondContact O-CA 3.35Å; I272-V295 HydrophobicContact CD1-CG1 4.25Å; F278-V295 HydrophobicContact CD1-CG1 3.65Å; F278-V295 HydrophobicContact CD1-CG2 4.23Å; F278-V295 HydrophobicContact CE1-CG1 3.66Å; V295-I315 HydrophobicContact CG2-CD1 3.95Å; V295-I315 HydrophobicContact CG2-CG1 4.27Å; V295-I315 HydrophobicContact CG2-CG2 3.94Å; V295-E317 PolarHBondContact N-O 3.48Å; V295-V318 HydrophobicContact CB-CG1 4.43Å; V295-V318 HydrophobicContact CB-CG2 4.16Å; V295-V318 HydrophobicContact CG2-CG2 4.45Å; V295-V318 CarbonylContact O-C 3.5Å; V295-V318 WeakPolarHBondContact O-CA 3.29Å; V295-V319 PolarHBondContact O-N 3.37Å
296M98.3Very high96.6Very high0 Ų044.5 Ų44.50%023%0.23CC..EExtended strand (participates in β ladder)trans-118.1121.4177.8-61.3-79162.800108.1Y172 I173 I177 I266 I267 V268 D269 F294 V319Y172-M296 HydrophobicContact CD1-CE 4.01Å; Y172-M296 HydrophobicContact CE1-CE 4.29Å; I173-M296 HydrophobicContact CD1-CE 4.45Å; I173-M296 HydrophobicContact CD1-CG 4.3Å; I173-M296 HydrophobicContact CD1-SD 4.36Å; I173-M296 HydrophobicContact CG1-CE 3.73Å; I173-M296 HydrophobicContact CG1-SD 4.07Å; I177-M296 HydrophobicContact CD1-CE 3.49Å; I177-M296 VanDerWaalsContact CD1-CE 3.49Å; I177-M296 HydrophobicContact CG1-CE 4.5Å; I266-M296 HydrophobicContact CG2-CE 4.33Å; I266-M296 HydrophobicContact CG2-CG 3.57Å; I267-M296 PolarHBondContact O-N 3.16Å; V268-M296 WeakPolarHBondContact CA-O 3.41Å; V268-M296 HydrophobicContact CG2-CB 4.23Å; D269-M296 PolarHBondContact N-O 3.28Å; F294-M296 HydrophobicContact CB-CE 4.27Å; F294-M296 HydrophobicContact CD1-CE 4.45Å; M296-V319 WeakPolarHBondContact CA-O 3.3Å; M296-V319 HydrophobicContact CE-CB 4Å; M296-V319 HydrophobicContact CE-CG2 3.58Å; M296-V319 HydrophobicContact SD-CB 3.54Å; M296-V319 VanDerWaalsContact SD-CB 3.54Å; M296-V319 HydrophobicContact SD-CG1 3.97Å; M296-V319 HydrophobicContact SD-CG2 3.85Å
297A98Very high96.6Very high0 Ų039 Ų390%021%0.206CC..EExtended strand (participates in β ladder)trans-140.3148.3173.500000111.8D269 I272 V319 V320D269-A297 VanDerWaalsContact O-CA 3.31Å; D269-A297 WeakPolarHBondContact O-CA 3.48Å; I272-A297 HydrophobicContact CB-CB 4.23Å; I272-A297 HydrophobicContact CG2-CB 4.02Å; A297-V319 PolarHBondContact N-O 3.4Å; A297-V320 HydrophobicContact CB-CG1 4.29Å; A297-V320 VanDerWaalsContact O-CA 3.28Å; A297-V320 WeakPolarHBondContact O-CA 3.32Å
298T98Very high96.6Very high3 Ų336.8 Ų36.82%0.01819%0.191CC..EExtended strand (participates in β ladder)trans-69-47.9174.5-580000110.1M145 D146 A165 D270 T321 T323M145-T298 HydrophobicContact CE-CG2 3.59Å; M145-T298 HydrophobicContact CG-CG2 4.35Å; D146-T298 HydrophobicContact CB-CG2 3.88Å; D146-T298 WeakPolarHBondContact OD2-CG2 3.47Å; D146-T298 PolarHBondContact OD2-OG1 3.47Å; A165-T298 HydrophobicContact CB-CG2 3.54Å; D270-T298 PolarHBondContact O-N 3.22Å; D270-T298 VanDerWaalsContact O-N 3.09Å; T298-T321 HydrophobicContact CG2-CG2 4.24Å; T298-T321 WeakPolarHBondContact O-CB 3.41Å; T298-T321 PolarHBondContact O-N 3.25Å; T298-T321 PolarHBondContact O-OG1 3.31Å; T298-T323 HydrophobicContact CG2-CG2 4.26Å; T298-T323 PolarHBondContact O-OG1 3.35Å
299H98.3Very high96.7Very high3 Ų333.4 Ų33.41%0.01418%0.181CC..EExtended strand (participates in β ladder)trans-109.3112.9-172.6-53.1-61.2000112P109 Y110 M145 D146 D270 I271 I272 L301 T323 I324P109-H299 PolarHBondContact O-CE1 3.39Å; P109-H299 VanDerWaalsContact O-CE1 3.3Å; Y110-H299 HydrophobicContact CD2-CB 3.96Å; Y110-H299 AromaticContact CD2-CD2 3.79Å; Y110-H299 AromaticContact CD2-CG 3.55Å; Y110-H299 AromaticContact CD2-ND1 3.75Å; Y110-H299 HydrophobicContact CE2-CB 4.47Å; M145-H299 PolarHBondContact O-CE1 2.8Å; M145-H299 PolarHBondContact O-NE2 2.77Å; M145-H299 VanDerWaalsContact O-NE2 3.09Å; D146-H299 PolarHBondContact O-NE2 2.85Å; D270-H299 PolarHBondContact O-CD2 3.19Å; D270-H299 PolarHBondContact O-N 2.82Å; I271-H299 WeakPolarHBondContact CA-O 3.35Å; I271-H299 HydrophobicContact CB-CB 4.43Å; I271-H299 HydrophobicContact CG1-CB 3.88Å; I272-H299 PolarHBondContact N-O 2.8Å; H299-L301 HydrophobicContact CB-CD1 4.18Å; H299-L301 PolarHBondContact O-N 2.94Å; H299-T323 PolarHBondContact ND1-OG1 2.88Å; H299-I324 HydrophobicContact CB-CD1 4.05Å
300G97.6Very high96.8Very high0 Ų031.6 Ų31.60%016%0.163CC..EExtended strand (participates in β ladder)trans-92.685.4171.500000112.1
301L95.9Very high96.7Very high32 Ų3235 Ų3517%0.16818%0.178CC..  trans-71.3-46.4171.1-87.781.4000110.2Y110 I271 I272 D273 H299 S303 I324Y110-L301 HydrophobicContact CD1-CD1 4.33Å; Y110-L301 HydrophobicContact CD2-CD1 4.33Å; Y110-L301 HydrophobicContact CE1-CD1 3.85Å; Y110-L301 HydrophobicContact CE1-CD2 4.15Å; Y110-L301 HydrophobicContact CE1-CG 4.26Å; Y110-L301 HydrophobicContact CE2-CD1 3.85Å; I271-L301 HydrophobicContact CG2-CD1 3.66Å; I272-L301 PolarHBondContact O-N 2.61Å; D273-L301 HydrophobicContact CB-CB 3.82Å; D273-L301 HydrophobicContact CB-CD2 4.19Å; D273-L301 HydrophobicContact CB-CG 4.47Å; H299-L301 HydrophobicContact CB-CD1 4.18Å; H299-L301 PolarHBondContact O-N 2.94Å; L301-S303 PolarHBondContact O-N 2.95Å; L301-I324 HydrophobicContact CB-CD1 4.42Å; L301-I324 HydrophobicContact CD1-CD1 3.11Å; L301-I324 HydrophobicContact CG-CD1 3.58Å
302L95Very high96.7Very high2 Ų236 Ų361%0.0119%0.186CC..  trans47.958.3173.4-61.4161.6000111.4I272 A306 I310 H326 Q329 I336I272-L302 HydrophobicContact CD1-CD2 3.98Å; I272-L302 HydrophobicContact CG1-CD2 4.05Å; I272-L302 HydrophobicContact CG2-CD2 3.96Å; I272-L302 HydrophobicContact CG2-CG 4.24Å; I272-L302 PolarHBondContact O-N 3.44Å; I272-L302 VanDerWaalsContact O-N 3.09Å; L302-A306 HydrophobicContact CB-CB 4.4Å; L302-I310 HydrophobicContact CD2-CD1 3.58Å; L302-H326 HydrophobicContact CD1-CB 4.29Å; L302-Q329 HydrophobicContact CB-CB 4.43Å; L302-Q329 HydrophobicContact CB-CG 3.93Å; L302-Q329 HydrophobicContact CD1-CB 4.24Å; L302-I336 HydrophobicContact CD1-CD1 3.94Å; L302-I336 HydrophobicContact CD1-CG2 4.33Å
303S89.9Confident96.7Very high52 Ų5233.4 Ų33.436%0.36418%0.178SC..  trans-75.4155.5-173-64.80000111.9D273 L301 D305 A306D273-S303 PolarHBondContact O-N 2.86Å; D273-S303 VanDerWaalsContact OD1-CB 3.22Å; D273-S303 WeakPolarHBondContact OD1-CB 3.3Å; D273-S303 PolarHBondContact OD1-OG 2.96Å; L301-S303 PolarHBondContact O-N 2.95Å; S303-D305 PolarHBondContact O-N 2.77Å; S303-A306 WeakPolarHBondContact O-CB 3.46Å; S303-A306 PolarHBondContact O-N 3.14Å; S303-A306 VanDerWaalsContact O-N 3.16Å
304S91.9Very high96.6Very high115 Ų11533.9 Ų33.980%0.80418%0.182SC*.THydrogen-bonded Turntrans55.6-127.2172.2-53.40000112.7A306S304-A306 VanDerWaalsContact C-N 3.26Å; S304-A306 PolarHBondContact O-N 3.01Å
305D93.9Very high96.6Very high101 Ų10133.5 Ų33.554%0.5418%0.18SC..THydrogen-bonded Turntrans-87.410-176.2-65.3-15.7000113.2S303 P307 R308 L309S303-D305 PolarHBondContact O-N 2.77Å; D305-P307 VanDerWaalsContact C-CD 3.45Å; D305-P307 VanDerWaalsContact C-N 3.35Å; D305-R308 PolarHBondContact O-N 3.22Å; D305-R308 VanDerWaalsContact O-N 3.08Å; D305-L309 HydrophobicContact CB-CD1 4.43Å; D305-L309 HydrophobicContact CB-CG 4.44Å; D305-L309 WeakPolarHBondContact O-CG 3.23Å; D305-L309 PolarHBondContact O-N 3.05Å
306A96Very high96.6Very high2 Ų237 Ų372%0.01720%0.198CC..Hα-helixtrans-48-46.3-177.500000114.1V275 L302 S303 S304 R308 L309 I310V275-A306 HydrophobicContact CB-CB 4.43Å; V275-A306 HydrophobicContact CG1-CB 3.49Å; V275-A306 VanDerWaalsContact CG1-CB 3.49Å; V275-A306 HydrophobicContact CG2-CB 4.05Å; L302-A306 HydrophobicContact CB-CB 4.4Å; S303-A306 WeakPolarHBondContact O-CB 3.46Å; S303-A306 PolarHBondContact O-N 3.14Å; S303-A306 VanDerWaalsContact O-N 3.16Å; S304-A306 VanDerWaalsContact C-N 3.26Å; S304-A306 PolarHBondContact O-N 3.01Å; A306-R308 PolarHBondContact O-N 2.92Å; A306-L309 PolarHBondContact O-N 3.25Å; A306-I310 WeakPolarHBondContact O-CD1 3.11Å; A306-I310 VanDerWaalsContact O-CG1 3.23Å; A306-I310 WeakPolarHBondContact O-CG1 3.26Å; A306-I310 PolarHBondContact O-N 2.92Å
307P96.9Very high96.6Very high0 Ų038.8 Ų38.80%021%0.207CC..Hα-helixtrans-62.5-42.1-179.8-23.536.1000112.9D305 I310 E311 Q329 Q332 C333 I336D305-P307 VanDerWaalsContact C-CD 3.45Å; D305-P307 VanDerWaalsContact C-N 3.35Å; P307-I310 PolarHBondContact O-N 3.13Å; P307-E311 PolarHBondContact O-N 2.71Å; P307-Q329 HydrophobicContact CB-CB 4.35Å; P307-Q329 HydrophobicContact CG-CB 3.58Å; P307-Q329 HydrophobicContact CG-CG 3.52Å; P307-Q332 HydrophobicContact CB-CB 3.83Å; P307-C333 HydrophobicContact CB-CB 3.85Å; P307-C333 WeakPolarHBondContact O-CB 3.37Å; P307-I336 HydrophobicContact CB-CD1 4.34Å
308R97.1Very high96.7Very high113 Ų11338.8 Ų38.843%0.42621%0.207SC..Hα-helixtrans-63.7-45.2178.2-175.4-173.667.175.33.4110.8D305 A306 I310 E311 E312D305-R308 PolarHBondContact O-N 3.22Å; D305-R308 VanDerWaalsContact O-N 3.08Å; A306-R308 PolarHBondContact O-N 2.92Å; R308-I310 PolarHBondContact O-N 3.24Å; R308-E311 WeakPolarHBondContact O-CB 3.04Å; R308-E311 PolarHBondContact O-N 3.16Å; R308-E312 VanDerWaalsContact CG-OE1 3.32Å; R308-E312 WeakPolarHBondContact CG-OE1 3.43Å; R308-E312 IonicContact CZ-OE1 2.63Å; R308-E312 IonicContact CZ-OE2 3.97Å; R308-E312 IonicContact NH1-OE1 3.12Å; R308-E312 PolarHBondContact NH1-OE1 2.93Å; R308-E312 IonicContact NH1-OE2 3.83Å; R308-E312 PolarHBondContact NH1-OE2 3.23Å; R308-E312 WeakPolarHBondContact O-CG 3.29Å; R308-E312 PolarHBondContact O-N 3.22Å; R308-E312 VanDerWaalsContact O-N 3.09Å
309L97.4Very high96.7Very high42 Ų4238.7 Ų38.722%0.2221%0.206CC..Hα-helixtrans-64.5-39179.5-68175.1000112.2V275 L279 D305 A306 E312 S313V275-L309 HydrophobicContact CG2-CB 3.87Å; V275-L309 HydrophobicContact CG2-CD1 3.69Å; V275-L309 HydrophobicContact CG2-CG 4.44Å; L279-L309 HydrophobicContact CD1-CB 3.87Å; D305-L309 HydrophobicContact CB-CD1 4.43Å; D305-L309 HydrophobicContact CB-CG 4.44Å; D305-L309 WeakPolarHBondContact O-CG 3.23Å; D305-L309 PolarHBondContact O-N 3.05Å; A306-L309 PolarHBondContact O-N 3.25Å; L309-E312 PolarHBondContact O-N 3.37Å; L309-S313 WeakPolarHBondContact O-CB 3.45Å; L309-S313 PolarHBondContact O-N 3.46Å
310I98.1Very high96.7Very high0 Ų038.5 Ų38.50%021%0.206CC..Hα-helixtrans-62.2-44.4173.6-69.9163.8000110.5I272 V275 L302 A306 P307 R308 E312 S313 V318 K335I272-I310 HydrophobicContact CD1-CD1 4.11Å; V275-I310 HydrophobicContact CG1-CD1 3.91Å; V275-I310 HydrophobicContact CG1-CG1 4.05Å; L302-I310 HydrophobicContact CD2-CD1 3.58Å; A306-I310 WeakPolarHBondContact O-CD1 3.11Å; A306-I310 VanDerWaalsContact O-CG1 3.23Å; A306-I310 WeakPolarHBondContact O-CG1 3.26Å; A306-I310 PolarHBondContact O-N 2.92Å; P307-I310 PolarHBondContact O-N 3.13Å; R308-I310 PolarHBondContact O-N 3.24Å; I310-E312 VanDerWaalsContact C-N 3.33Å; I310-E312 PolarHBondContact O-N 3.35Å; I310-S313 PolarHBondContact O-N 2.77Å; I310-S313 PolarHBondContact O-OG 3.12Å; I310-V318 HydrophobicContact CD1-CG2 4.21Å; I310-V318 HydrophobicContact CG1-CG2 4.45Å; I310-V318 HydrophobicContact CG2-CG2 3.56Å; I310-K335 HydrophobicContact CG2-CB 4.43Å; I310-K335 HydrophobicContact CG2-CD 4.34Å; I310-K335 PolarHBondContact O-NZ 2.86Å; I310-K335 VanDerWaalsContact O-NZ 3.15Å
311E97.4Very high96.8Very high76 Ų7638.5 Ų38.536%0.35521%0.206SC..Hα-helixtrans-59.6-44.1179.7-170.760.8-159.500112P307 R308 S313 C333 P334 K335P307-E311 PolarHBondContact O-N 2.71Å; R308-E311 WeakPolarHBondContact O-CB 3.04Å; R308-E311 PolarHBondContact O-N 3.16Å; E311-S313 VanDerWaalsContact C-N 3.27Å; E311-S313 PolarHBondContact O-N 3.35Å; E311-C333 HydrophobicContact CB-CB 4.5Å; E311-C333 PolarHBondContact OE2-SG 3.25Å; E311-P334 WeakPolarHBondContact OE2-CD 3.33Å; E311-K335 WeakPolarHBondContact O-CE 3.17Å; E311-K335 PolarHBondContact O-NZ 3.25Å
312E97.3Very high96.8Very high131 Ų13137.8 Ų37.861%0.61220%0.202SC*.Hα-helixtrans-75.3-12.7-179.5-68.5169.4-165.300113.8R308 L309 I310R308-E312 VanDerWaalsContact CG-OE1 3.32Å; R308-E312 WeakPolarHBondContact CG-OE1 3.43Å; R308-E312 IonicContact CZ-OE1 2.63Å; R308-E312 IonicContact CZ-OE2 3.97Å; R308-E312 IonicContact NH1-OE1 3.12Å; R308-E312 PolarHBondContact NH1-OE1 2.93Å; R308-E312 IonicContact NH1-OE2 3.83Å; R308-E312 PolarHBondContact NH1-OE2 3.23Å; R308-E312 WeakPolarHBondContact O-CG 3.29Å; R308-E312 PolarHBondContact O-N 3.22Å; R308-E312 VanDerWaalsContact O-N 3.09Å; L309-E312 PolarHBondContact O-N 3.37Å; I310-E312 VanDerWaalsContact C-N 3.33Å; I310-E312 PolarHBondContact O-N 3.35Å
313S97.8Very high97Very high19 Ų1937.7 Ų37.713%0.13320%0.201CC..SBendtrans-87.5172-173.276.70000115.4L309 I310 E311 I315 K335L309-S313 WeakPolarHBondContact O-CB 3.45Å; L309-S313 PolarHBondContact O-N 3.46Å; I310-S313 PolarHBondContact O-N 2.77Å; I310-S313 PolarHBondContact O-OG 3.12Å; E311-S313 VanDerWaalsContact C-N 3.27Å; E311-S313 PolarHBondContact O-N 3.35Å; S313-I315 PolarHBondContact O-N 3.5Å; S313-I315 WeakPolarHBondContact OG-CB 2.92Å; S313-I315 PolarHBondContact OG-N 3.34Å; S313-K335 PolarHBondContact O-NZ 3.41Å
314A97.4Very high97.3Very high11 Ų1135.6 Ų35.69%0.09119%0.186CC..SBendtrans-66.1-7.6169.600000115.9A282 E283 K286 I293 D316A282-A314 HydrophobicContact CB-CB 4.33Å; E283-A314 WeakPolarHBondContact OE1-CB 3.43Å; E283-A314 PolarHBondContact OE1-N 2.82Å; K286-A314 HydrophobicContact CD-CB 3.59Å; I293-A314 HydrophobicContact CD1-CB 4.35Å; A314-D316 PolarHBondContact O-N 3.3Å
315I98.6Very high97.5Very high1 Ų131.8 Ų31.81%0.00516%0.159CC..  trans-69.2130.6177.8-59.8166.6000109F278 L279 A282 I293 V295 S313 V318 K335F278-I315 HydrophobicContact CB-CD1 4.46Å; L279-I315 HydrophobicContact CD2-CD1 3.94Å; A282-I315 HydrophobicContact CB-CD1 4.34Å; A282-I315 HydrophobicContact CB-CG1 3.57Å; I293-I315 HydrophobicContact CG2-CG1 4.4Å; V295-I315 HydrophobicContact CG2-CD1 3.95Å; V295-I315 HydrophobicContact CG2-CG1 4.27Å; V295-I315 HydrophobicContact CG2-CG2 3.94Å; S313-I315 PolarHBondContact O-N 3.5Å; S313-I315 WeakPolarHBondContact OG-CB 2.92Å; S313-I315 PolarHBondContact OG-N 3.34Å; I315-V318 HydrophobicContact CG2-CG2 3.71Å; I315-K335 VanDerWaalsContact O-CD 3.3Å; I315-K335 WeakPolarHBondContact O-CD 3.44Å; I315-K335 VanDerWaalsContact O-CE 3.32Å; I315-K335 WeakPolarHBondContact O-CE 3.46Å; I315-K335 PolarHBondContact O-NZ 2.89Å
316D98.5Very high97.6Very high73 Ų7327.1 Ų27.139%0.3913%0.133SC..  trans-83.8-41.3177.9-66-83.4000111.8K292 I293 A314 K335K292-D316 WeakPolarHBondContact CA-OD2 3.24Å; I293-D316 PolarHBondContact N-OD2 3.16Å; I293-D316 WeakPolarHBondContact O-CB 3.24Å; I293-D316 PolarHBondContact O-N 3.01Å; A314-D316 PolarHBondContact O-N 3.3Å; D316-K335 WeakPolarHBondContact O-CG 3.24Å
317E98.6Very high97.4Very high39 Ų3931.2 Ų31.218%0.18215%0.152CC..EExtended strand (participates in β ladder)trans-151.8140.2-176.8-167.4171.7105.200111.9Y172 I293 F294 V295 V319 K335 K337Y172-E317 WeakPolarHBondContact CE1-OE1 3.48Å; Y172-E317 PolarHBondContact OH-OE1 3.43Å; I293-E317 PolarHBondContact O-N 2.93Å; F294-E317 CarbonylContact C-O 3.59Å; F294-E317 WeakPolarHBondContact CA-O 3.11Å; F294-E317 HydrophobicContact CD1-CB 3.65Å; F294-E317 HydrophobicContact CD1-CG 4.39Å; F294-E317 HydrophobicContact CE1-CB 3.76Å; F294-E317 HydrophobicContact CE1-CG 4.47Å; V295-E317 PolarHBondContact N-O 3.48Å; E317-V319 HydrophobicContact CG-CG2 4.12Å; E317-V319 WeakPolarHBondContact OE1-CG2 3.45Å; E317-K335 WeakPolarHBondContact CG-O 3.46Å; E317-K337 HydrophobicContact CG-CG 3.74Å
318V98.7Very high97.2Very high0 Ų036.8 Ų36.80%018%0.181CC..EExtended strand (participates in β ladder)trans-118.3115.6175.3177.50000108.6I272 V295 I310 I315 V320 K335 I336 K337I272-V318 HydrophobicContact CD1-CG1 3.94Å; V295-V318 HydrophobicContact CB-CG1 4.43Å; V295-V318 HydrophobicContact CB-CG2 4.16Å; V295-V318 HydrophobicContact CG2-CG2 4.45Å; V295-V318 CarbonylContact O-C 3.5Å; V295-V318 WeakPolarHBondContact O-CA 3.29Å; I310-V318 HydrophobicContact CD1-CG2 4.21Å; I310-V318 HydrophobicContact CG1-CG2 4.45Å; I310-V318 HydrophobicContact CG2-CG2 3.56Å; I315-V318 HydrophobicContact CG2-CG2 3.71Å; V318-V320 HydrophobicContact CG1-CG1 4.15Å; V318-K335 PolarHBondContact N-O 3.28Å; V318-I336 HydrophobicContact CB-CG1 4.39Å; V318-I336 CarbonylContact O-C 3.57Å; V318-I336 VanDerWaalsContact O-CA 3.3Å; V318-I336 WeakPolarHBondContact O-CA 3.31Å; V318-K337 PolarHBondContact O-N 3.43Å
319V98.6Very high97.1Very high0 Ų033.1 Ų33.10%017%0.168CC..EExtended strand (participates in β ladder)trans-108.1116.7-178-173.30000108.9L169 Y172 V295 M296 A297 E317 K337 V339L169-V319 HydrophobicContact CD2-CG1 4.18Å; Y172-V319 HydrophobicContact CD1-CG1 3.95Å; Y172-V319 HydrophobicContact CD1-CG2 3.96Å; Y172-V319 HydrophobicContact CD2-CG1 4.21Å; Y172-V319 HydrophobicContact CE1-CB 4.33Å; Y172-V319 HydrophobicContact CE1-CG1 4Å; Y172-V319 HydrophobicContact CE1-CG2 3.39Å; Y172-V319 HydrophobicContact CE2-CG1 4.23Å; Y172-V319 HydrophobicContact CG-CG1 4.06Å; V295-V319 PolarHBondContact O-N 3.37Å; M296-V319 WeakPolarHBondContact CA-O 3.3Å; M296-V319 HydrophobicContact CE-CB 4Å; M296-V319 HydrophobicContact CE-CG2 3.58Å; M296-V319 HydrophobicContact SD-CB 3.54Å; M296-V319 VanDerWaalsContact SD-CB 3.54Å; M296-V319 HydrophobicContact SD-CG1 3.97Å; M296-V319 HydrophobicContact SD-CG2 3.85Å; A297-V319 PolarHBondContact N-O 3.4Å; E317-V319 HydrophobicContact CG-CG2 4.12Å; E317-V319 WeakPolarHBondContact OE1-CG2 3.45Å; V319-K337 WeakPolarHBondContact CA-O 3.38Å; V319-K337 HydrophobicContact CG2-CB 4.37Å; V319-V339 HydrophobicContact CG1-CG2 3.62Å
320V98.5Very high97Very high0 Ų034 Ų340%017%0.17CC..EExtended strand (participates in β ladder)trans-126160.9177.9-66.40000111.3I272 A297 V318 H326 I336 K337 T338 V339I272-V320 HydrophobicContact CG2-CG1 3.55Å; A297-V320 HydrophobicContact CB-CG1 4.29Å; A297-V320 VanDerWaalsContact O-CA 3.28Å; A297-V320 WeakPolarHBondContact O-CA 3.32Å; V318-V320 HydrophobicContact CG1-CG1 4.15Å; V320-H326 WeakPolarHBondContact CG2-NE2 3.33Å; V320-I336 HydrophobicContact CG2-CG2 4.07Å; V320-K337 PolarHBondContact N-O 3.41Å; V320-T338 CarbonylContact O-C 3.59Å; V320-T338 VanDerWaalsContact O-CA 3.23Å; V320-T338 WeakPolarHBondContact O-CA 3.47Å; V320-V339 PolarHBondContact O-N 3.08Å
321T98.6Very high96.8Very high0 Ų041.3 Ų41.30%021%0.209CC..EExtended strand (participates in β ladder)trans-88.8163.2172.275.70000111.9M145 A165 L169 T298 T323 H326 V339 I341M145-T321 HydrophobicContact CE-CG2 4.44Å; A165-T321 HydrophobicContact CB-CG2 3.77Å; L169-T321 HydrophobicContact CD2-CG2 4.3Å; T298-T321 HydrophobicContact CG2-CG2 4.24Å; T298-T321 WeakPolarHBondContact O-CB 3.41Å; T298-T321 PolarHBondContact O-N 3.25Å; T298-T321 PolarHBondContact O-OG1 3.31Å; T321-T323 PolarHBondContact O-N 2.93Å; T321-T323 VanDerWaalsContact O-N 3.09Å; T321-T323 WeakPolarHBondContact OG1-CG2 3.42Å; T321-T323 PolarHBondContact OG1-N 2.97Å; T321-T323 PolarHBondContact OG1-OG1 3.23Å; T321-T323 VanDerWaalsContact OG1-OG1 3.1Å; T321-H326 PolarHBondContact O-CE1 3Å; T321-H326 VanDerWaalsContact O-CE1 3.25Å; T321-V339 VanDerWaalsContact CA-O 3.25Å; T321-V339 WeakPolarHBondContact CA-O 3.39Å; T321-I341 HydrophobicContact CG2-CG2 3.76Å
322N97.6Very high96.8Very high16 Ų1643 Ų439%0.08622%0.217CC..BIsolated β-bridgetrans-77.325.5171.564.2-16.3000114.6I324 T338 V339 D340 I341N322-I324 PolarHBondContact O-N 3.35Å; N322-T338 HydrophobicContact CB-CG2 3.73Å; N322-V339 PolarHBondContact N-O 3.49Å; N322-V339 VanDerWaalsContact N-O 3.1Å; N322-V339 PolarHBondContact OD1-O 2.88Å; N322-D340 PolarHBondContact ND2-OD1 3.25Å; N322-D340 WeakPolarHBondContact OD1-CA 3.23Å; N322-I341 VanDerWaalsContact OD1-CD1 3.28Å; N322-I341 WeakPolarHBondContact OD1-CD1 3.25Å; N322-I341 WeakPolarHBondContact OD1-CG1 3.45Å; N322-I341 PolarHBondContact OD1-N 3.33Å
323T97.9Very high96.7Very high0 Ų036.8 Ų36.80%019%0.188CC..THydrogen-bonded Turntrans-58.7-31.2170.845.80000113.7P109 M145 T298 H299 T321 I341P109-T323 HydrophobicContact CB-CG2 3.74Å; M145-T323 HydrophobicContact CE-CG2 3.02Å; T298-T323 HydrophobicContact CG2-CG2 4.26Å; T298-T323 PolarHBondContact O-OG1 3.35Å; H299-T323 PolarHBondContact ND1-OG1 2.88Å; T321-T323 PolarHBondContact O-N 2.93Å; T321-T323 VanDerWaalsContact O-N 3.09Å; T321-T323 WeakPolarHBondContact OG1-CG2 3.42Å; T321-T323 PolarHBondContact OG1-N 2.97Å; T321-T323 PolarHBondContact OG1-OG1 3.23Å; T321-T323 VanDerWaalsContact OG1-OG1 3.1Å; T323-I341 HydrophobicContact CG2-CD1 4.26Å; T323-I341 HydrophobicContact CG2-CG1 4.14Å
324I97.4Very high96.7Very high9 Ų939.8 Ų39.85%0.04621%0.207CC..SBendtrans-125.3135.5177.2-57.6177.4000107.2Y110 H299 L301 N322 H326Y110-I324 HydrophobicContact CD1-CD1 3.43Å; Y110-I324 VanDerWaalsContact CD1-CD1 3.43Å; Y110-I324 HydrophobicContact CD1-CG1 3.93Å; Y110-I324 HydrophobicContact CD2-CD1 4.12Å; Y110-I324 HydrophobicContact CE1-CD1 3.99Å; Y110-I324 HydrophobicContact CG-CD1 3.5Å; Y110-I324 HydrophobicContact CG-CG1 3.88Å; H299-I324 HydrophobicContact CB-CD1 4.05Å; L301-I324 HydrophobicContact CB-CD1 4.42Å; L301-I324 HydrophobicContact CD1-CD1 3.11Å; L301-I324 HydrophobicContact CG-CD1 3.58Å; N322-I324 PolarHBondContact O-N 3.35Å; I324-H326 PolarHBondContact O-CE1 3.24Å; I324-H326 PolarHBondContact O-N 2.91Å; I324-H326 PolarHBondContact O-ND1 3.13Å
325P96.1Very high96.8Very high35 Ų3541.1 Ų41.123%0.22721%0.21CC..  trans-67.3125.5176-16.429.7000111.1C31C31-P325 HydrophobicContact CB-CG 4.1Å
326H95.3Very high96.8Very high2 Ų241.3 Ų41.31%0.00921%0.211CC..  trans-140.231.6-176.954.3-89.4000113.3L302 V320 T321 I324 I328 Q329 K330 T338L302-H326 HydrophobicContact CD1-CB 4.29Å; V320-H326 WeakPolarHBondContact CG2-NE2 3.33Å; T321-H326 PolarHBondContact O-CE1 3Å; T321-H326 VanDerWaalsContact O-CE1 3.25Å; I324-H326 PolarHBondContact O-CE1 3.24Å; I324-H326 PolarHBondContact O-N 2.91Å; I324-H326 PolarHBondContact O-ND1 3.13Å; H326-I328 VanDerWaalsContact C-N 3.31Å; H326-I328 PolarHBondContact O-N 3.18Å; H326-Q329 VanDerWaalsContact C-OE1 3.28Å; H326-Q329 HydrophobicContact CB-CB 4.28Å; H326-Q329 PolarHBondContact O-N 3.37Å; H326-Q329 PolarHBondContact O-OE1 3.32Å; H326-K330 PolarHBondContact O-N 3.5Å; H326-T338 WeakPolarHBondContact NE2-CG2 3.47Å; H326-T338 PolarHBondContact NE2-OG1 3.49Å
327E92.1Very high96.7Very high88 Ų8841.9 Ų41.941%0.41121%0.21SC..Hα-helixtrans-64.7-33.2-177.9-62-54.7149.800113K330 L331E327-K330 PolarHBondContact O-N 3.2Å; E327-K330 IonicContact OE1-NZ 2.76Å; E327-K330 PolarHBondContact OE1-NZ 2.78Å; E327-K330 IonicContact OE2-NZ 3.15Å; E327-K330 PolarHBondContact OE2-NZ 2.83Å; E327-L331 WeakPolarHBondContact O-CG 3.39Å; E327-L331 PolarHBondContact O-N 2.87Å; E327-L331 VanDerWaalsContact O-N 3.16Å
328I93.4Very high96.7Very high117 Ų11742 Ų4260%0.621%0.214SC*.Hα-helixtrans-66.1-43.4175.7-62173.9000110H326 K330 L331 Q332H326-I328 VanDerWaalsContact C-N 3.31Å; H326-I328 PolarHBondContact O-N 3.18Å; I328-K330 VanDerWaalsContact C-N 3.34Å; I328-K330 PolarHBondContact O-N 2.84Å; I328-L331 WeakPolarHBondContact O-CB 3.41Å; I328-L331 PolarHBondContact O-N 3.4Å; I328-Q332 WeakPolarHBondContact O-CG 3.26Å; I328-Q332 PolarHBondContact O-N 3.45Å; I328-Q332 VanDerWaalsContact O-N 3.15Å
329Q94.9Very high96.7Very high36 Ų3642.8 Ų42.817%0.16822%0.219CC..Hα-helixtrans-63.9-39.3179.5-65.691.2-35.300111.4L302 P307 H326 L331 Q332 C333 I336L302-Q329 HydrophobicContact CB-CB 4.43Å; L302-Q329 HydrophobicContact CB-CG 3.93Å; L302-Q329 HydrophobicContact CD1-CB 4.24Å; P307-Q329 HydrophobicContact CB-CB 4.35Å; P307-Q329 HydrophobicContact CG-CB 3.58Å; P307-Q329 HydrophobicContact CG-CG 3.52Å; H326-Q329 VanDerWaalsContact C-OE1 3.28Å; H326-Q329 HydrophobicContact CB-CB 4.28Å; H326-Q329 PolarHBondContact O-N 3.37Å; H326-Q329 PolarHBondContact O-OE1 3.32Å; Q329-L331 VanDerWaalsContact C-N 3.34Å; Q329-L331 PolarHBondContact O-N 3.08Å; Q329-Q332 WeakPolarHBondContact O-CB 3.31Å; Q329-Q332 PolarHBondContact O-N 3.14Å; Q329-Q332 VanDerWaalsContact O-N 3.15Å; Q329-C333 PolarHBondContact O-N 2.99Å; Q329-I336 HydrophobicContact CB-CD1 4.14Å
330K94.2Very high96.6Very high60 Ų6044.9 Ų44.926%0.26123%0.23SC..Hα-helixtrans-64.9-35.8174.6-73164.168.6-170.40113.5H326 E327 I328 Q332 C333 I336 T338H326-K330 PolarHBondContact O-N 3.5Å; E327-K330 PolarHBondContact O-N 3.2Å; E327-K330 IonicContact OE1-NZ 2.76Å; E327-K330 PolarHBondContact OE1-NZ 2.78Å; E327-K330 IonicContact OE2-NZ 3.15Å; E327-K330 PolarHBondContact OE2-NZ 2.83Å; I328-K330 VanDerWaalsContact C-N 3.34Å; I328-K330 PolarHBondContact O-N 2.84Å; K330-Q332 PolarHBondContact O-N 3.29Å; K330-C333 CarbonylContact O-C 3.6Å; K330-C333 PolarHBondContact O-N 3.32Å; K330-I336 HydrophobicContact CG-CB 4.08Å; K330-I336 HydrophobicContact CG-CG2 3.76Å; K330-T338 VanDerWaalsContact CD-OG1 3.25Å; K330-T338 WeakPolarHBondContact CD-OG1 3.44Å; K330-T338 VanDerWaalsContact CE-OG1 3.29Å; K330-T338 WeakPolarHBondContact CE-OG1 3.4Å; K330-T338 PolarHBondContact NZ-OG1 3.37Å
331L94.8Very high96.5Very high155 Ų15544.9 Ų44.981%0.81223%0.23SC*.Hα-helixtrans-66.4-31.3174-71170.4000111.7E327 I328 Q329E327-L331 WeakPolarHBondContact O-CG 3.39Å; E327-L331 PolarHBondContact O-N 2.87Å; E327-L331 VanDerWaalsContact O-N 3.16Å; I328-L331 WeakPolarHBondContact O-CB 3.41Å; I328-L331 PolarHBondContact O-N 3.4Å; Q329-L331 VanDerWaalsContact C-N 3.34Å; Q329-L331 PolarHBondContact O-N 3.08Å
332Q95.6Very high96.4Very high112 Ų11244.9 Ų44.952%0.52323%0.23SC..Hα-helixtrans-80.8-28.7177.8-69.1174-18.500113.3P307 I328 Q329 K330P307-Q332 HydrophobicContact CB-CB 3.83Å; I328-Q332 WeakPolarHBondContact O-CG 3.26Å; I328-Q332 PolarHBondContact O-N 3.45Å; I328-Q332 VanDerWaalsContact O-N 3.15Å; Q329-Q332 WeakPolarHBondContact O-CB 3.31Å; Q329-Q332 PolarHBondContact O-N 3.14Å; Q329-Q332 VanDerWaalsContact O-N 3.15Å; K330-Q332 PolarHBondContact O-N 3.29Å
333C97.3Very high96.2Very high0 Ų048.5 Ų48.50%025%0.247CC..  trans-139.7102.7-176.3-179.30000111.1P307 E311 Q329 K330 K335 I336P307-C333 HydrophobicContact CB-CB 3.85Å; P307-C333 WeakPolarHBondContact O-CB 3.37Å; E311-C333 HydrophobicContact CB-CB 4.5Å; E311-C333 PolarHBondContact OE2-SG 3.25Å; Q329-C333 PolarHBondContact O-N 2.99Å; K330-C333 CarbonylContact O-C 3.6Å; K330-C333 PolarHBondContact O-N 3.32Å; C333-K335 PolarHBondContact O-N 2.89Å; C333-I336 HydrophobicContact CB-CD1 3.77Å; C333-I336 HydrophobicContact CB-CG1 4.09Å; C333-I336 PolarHBondContact O-N 3.3Å; C333-I336 VanDerWaalsContact O-N 3.11Å
334P97.3Very high96.1Very high81 Ų8148.9 Ų48.953%0.52625%0.249SC..THydrogen-bonded Turntrans-67.2-14.6-179.727.2-36.4000114.2E311 I336 K337E311-P334 WeakPolarHBondContact OE2-CD 3.33Å; P334-I336 PolarHBondContact O-N 3.17Å; P334-K337 PolarHBondContact O-NZ 2.95Å; P334-K337 VanDerWaalsContact O-NZ 3.16Å
335K98.2Very high96.1Very high39 Ų3948.5 Ų48.517%0.1725%0.247CC..THydrogen-bonded Turntrans-65.9-17171.4-59.4179.5179.4-178.70112.7I310 E311 S313 I315 D316 E317 V318 C333 K337I310-K335 HydrophobicContact CG2-CB 4.43Å; I310-K335 HydrophobicContact CG2-CD 4.34Å; I310-K335 PolarHBondContact O-NZ 2.86Å; I310-K335 VanDerWaalsContact O-NZ 3.15Å; E311-K335 WeakPolarHBondContact O-CE 3.17Å; E311-K335 PolarHBondContact O-NZ 3.25Å; S313-K335 PolarHBondContact O-NZ 3.41Å; I315-K335 VanDerWaalsContact O-CD 3.3Å; I315-K335 WeakPolarHBondContact O-CD 3.44Å; I315-K335 VanDerWaalsContact O-CE 3.32Å; I315-K335 WeakPolarHBondContact O-CE 3.46Å; I315-K335 PolarHBondContact O-NZ 2.89Å; D316-K335 WeakPolarHBondContact O-CG 3.24Å; E317-K335 WeakPolarHBondContact CG-O 3.46Å; V318-K335 PolarHBondContact N-O 3.28Å; C333-K335 PolarHBondContact O-N 2.89Å; K335-K337 PolarHBondContact O-N 2.71Å
336I98.4Very high96.1Very high5 Ų547.1 Ų47.13%0.02624%0.239CC..EExtended strand (participates in β ladder)trans-81.8117.4178.6-58.6168.3000110L302 P307 V318 V320 Q329 K330 C333 P334L302-I336 HydrophobicContact CD1-CD1 3.94Å; L302-I336 HydrophobicContact CD1-CG2 4.33Å; P307-I336 HydrophobicContact CB-CD1 4.34Å; V318-I336 HydrophobicContact CB-CG1 4.39Å; V318-I336 CarbonylContact O-C 3.57Å; V318-I336 VanDerWaalsContact O-CA 3.3Å; V318-I336 WeakPolarHBondContact O-CA 3.31Å; V320-I336 HydrophobicContact CG2-CG2 4.07Å; Q329-I336 HydrophobicContact CB-CD1 4.14Å; K330-I336 HydrophobicContact CG-CB 4.08Å; K330-I336 HydrophobicContact CG-CG2 3.76Å; C333-I336 HydrophobicContact CB-CD1 3.77Å; C333-I336 HydrophobicContact CB-CG1 4.09Å; C333-I336 PolarHBondContact O-N 3.3Å; C333-I336 VanDerWaalsContact O-N 3.11Å; P334-I336 PolarHBondContact O-N 3.17Å
337K98.3Very high96.1Very high85 Ų8548.9 Ų48.937%0.3725%0.247SC..EExtended strand (participates in β ladder)trans-110.2143.6174.2-57.2-57.1-174.6-157.50110.4Y172 E317 V318 V319 V320 P334 K335Y172-K337 WeakPolarHBondContact OH-CG 3.15Å; E317-K337 HydrophobicContact CG-CG 3.74Å; V318-K337 PolarHBondContact O-N 3.43Å; V319-K337 WeakPolarHBondContact CA-O 3.38Å; V319-K337 HydrophobicContact CG2-CB 4.37Å; V320-K337 PolarHBondContact N-O 3.41Å; P334-K337 PolarHBondContact O-NZ 2.95Å; P334-K337 VanDerWaalsContact O-NZ 3.16Å; K335-K337 PolarHBondContact O-N 2.71Å
338T98.2Very high96.3Very high42 Ų4244.7 Ų44.726%0.25823%0.227SC..EExtended strand (participates in β ladder)trans-114.8126.9-176.6-46.20000111.2V320 N322 H326 K330V320-T338 CarbonylContact O-C 3.59Å; V320-T338 VanDerWaalsContact O-CA 3.23Å; V320-T338 WeakPolarHBondContact O-CA 3.47Å; N322-T338 HydrophobicContact CB-CG2 3.73Å; H326-T338 WeakPolarHBondContact NE2-CG2 3.47Å; H326-T338 PolarHBondContact NE2-OG1 3.49Å; K330-T338 VanDerWaalsContact CD-OG1 3.25Å; K330-T338 WeakPolarHBondContact CD-OG1 3.44Å; K330-T338 VanDerWaalsContact CE-OG1 3.29Å; K330-T338 WeakPolarHBondContact CE-OG1 3.4Å; K330-T338 PolarHBondContact NZ-OG1 3.37Å
339V97.9Very high96.5Very high17 Ų1739.1 Ų39.110%0.10320%0.199CC..EExtended strand (participates in β ladder)trans-95.7128169.6178.70000109.6F168 L169 Y172 V319 V320 T321 N322F168-V339 HydrophobicContact CB-CG1 3.79Å; L169-V339 HydrophobicContact CD2-CG2 4.21Å; Y172-V339 HydrophobicContact CD2-CG2 3.7Å; Y172-V339 HydrophobicContact CE2-CG2 4.34Å; Y172-V339 HydrophobicContact CG-CG2 4.17Å; V319-V339 HydrophobicContact CG1-CG2 3.62Å; V320-V339 PolarHBondContact O-N 3.08Å; T321-V339 VanDerWaalsContact CA-O 3.25Å; T321-V339 WeakPolarHBondContact CA-O 3.39Å; N322-V339 PolarHBondContact N-O 3.49Å; N322-V339 VanDerWaalsContact N-O 3.1Å; N322-V339 PolarHBondContact OD1-O 2.88Å
340D96.9Very high96.5Very high43 Ų4340 Ų4023%0.2320%0.201CC..  trans-79.4123.8179.3178.936.4000111.6R37 R41 N322 S342R37-D340 IonicContact NH1-OD1 3.95Å; R41-D340 IonicContact CZ-OD2 3.93Å; R41-D340 IonicContact NE-OD2 3.93Å; R41-D340 IonicContact NH2-OD2 3.12Å; R41-D340 PolarHBondContact NH2-OD2 2.95Å; N322-D340 PolarHBondContact ND2-OD1 3.25Å; N322-D340 WeakPolarHBondContact OD1-CA 3.23Å; D340-S342 VanDerWaalsContact OD1-CB 3.31Å; D340-S342 WeakPolarHBondContact OD1-CB 3.47Å; D340-S342 PolarHBondContact OD1-N 3.14Å; D340-S342 PolarHBondContact OD1-OG 3.34Å; D340-S342 PolarHBondContact OD2-OG 3.07Å
341I96.6Very high96.5Very high0 Ų038.9 Ų38.90%020%0.195CC..  trans-112.79.7177.853.861.1000113L34 M145 T321 N322 T323 M343 I344 L345L34-I341 HydrophobicContact CD1-CD1 3.85Å; L34-I341 HydrophobicContact CD2-CD1 4.12Å; M145-I341 HydrophobicContact CE-CB 3.96Å; M145-I341 HydrophobicContact CE-CD1 4.26Å; M145-I341 HydrophobicContact CE-CG1 3.59Å; M145-I341 HydrophobicContact CE-CG2 3.97Å; M145-I341 HydrophobicContact SD-CB 4.28Å; M145-I341 HydrophobicContact SD-CG1 4.47Å; M145-I341 HydrophobicContact SD-CG2 4.3Å; T321-I341 HydrophobicContact CG2-CG2 3.76Å; N322-I341 VanDerWaalsContact OD1-CD1 3.28Å; N322-I341 WeakPolarHBondContact OD1-CD1 3.25Å; N322-I341 WeakPolarHBondContact OD1-CG1 3.45Å; N322-I341 PolarHBondContact OD1-N 3.33Å; T323-I341 HydrophobicContact CG2-CD1 4.26Å; T323-I341 HydrophobicContact CG2-CG1 4.14Å; I341-M343 PolarHBondContact O-N 3.05Å; I341-I344 HydrophobicContact CB-CG2 4.01Å; I341-I344 VanDerWaalsContact O-CG2 3.23Å; I341-I344 WeakPolarHBondContact O-CG2 3.47Å; I341-I344 PolarHBondContact O-N 2.74Å; I341-L345 HydrophobicContact CD1-CD1 3.52Å; I341-L345 HydrophobicContact CD1-CG 4.24Å; I341-L345 PolarHBondContact O-N 3.34Å
342S96.5Very high96.5Very high0 Ų033.2 Ų33.20%017%0.165CC..Hα-helixtrans-59.3-29.9176.259.20000112.3R41 D340 L345 S346R41-S342 PolarHBondContact NE-OG 3.45Å; D340-S342 VanDerWaalsContact OD1-CB 3.31Å; D340-S342 WeakPolarHBondContact OD1-CB 3.47Å; D340-S342 PolarHBondContact OD1-N 3.14Å; D340-S342 PolarHBondContact OD1-OG 3.34Å; D340-S342 PolarHBondContact OD2-OG 3.07Å; S342-L345 PolarHBondContact O-N 3.25Å; S342-S346 VanDerWaalsContact O-CB 3.31Å; S342-S346 WeakPolarHBondContact O-CB 3.48Å; S342-S346 PolarHBondContact O-N 2.95Å; S342-S346 PolarHBondContact O-OG 2.82Å; S342-S346 VanDerWaalsContact O-OG 3.1Å
343M94Very high96.5Very high92 Ų9229.5 Ų29.545%0.45315%0.147SC..Hα-helixtrans-60.6-52.6176.2-173.464.4-177.400112.3I341 L345 S346 E347I341-M343 PolarHBondContact O-N 3.05Å; M343-L345 VanDerWaalsContact C-N 3.32Å; M343-L345 PolarHBondContact O-N 2.91Å; M343-S346 PolarHBondContact O-N 3.37Å; M343-S346 PolarHBondContact O-OG 3.32Å; M343-E347 WeakPolarHBondContact O-CB 3.46Å; M343-E347 PolarHBondContact O-N 2.95Å
344I95.4Very high96.3Very high9 Ų932.8 Ų32.85%0.04617%0.165CC..Hα-helixtrans-65.7-36.5-178.2-165.2178000111.6M145 L163 R164 F168 I341 A348 L361M145-I344 HydrophobicContact SD-CG2 4.17Å; L163-I344 HydrophobicContact CB-CD1 4.2Å; L163-I344 HydrophobicContact CD1-CG1 4.28Å; R164-I344 WeakPolarHBondContact O-CD1 3.39Å; F168-I344 HydrophobicContact CE2-CB 3.86Å; F168-I344 HydrophobicContact CE2-CD1 4.17Å; F168-I344 HydrophobicContact CE2-CG1 4.42Å; F168-I344 HydrophobicContact CE2-CG2 4.23Å; F168-I344 HydrophobicContact CZ-CB 4.02Å; I341-I344 HydrophobicContact CB-CG2 4.01Å; I341-I344 VanDerWaalsContact O-CG2 3.23Å; I341-I344 WeakPolarHBondContact O-CG2 3.47Å; I341-I344 PolarHBondContact O-N 2.74Å; I344-A348 WeakPolarHBondContact O-CB 3.44Å; I344-A348 PolarHBondContact O-N 3.3Å; I344-L361 HydrophobicContact CG1-CD1 4.49Å; I344-L361 HydrophobicContact CG1-CD2 4.22Å
345L97Very high96Very high0 Ų032.4 Ų32.40%018%0.175CC..Hα-helixtrans-67.8-43.8175.9-68.4174.6000112.1L34 I38 V107 P109 I143 L163 I341 S342 M343 E347 A348 I349L34-L345 HydrophobicContact CD1-CD1 4.29Å; L34-L345 HydrophobicContact CD2-CD1 3.87Å; L34-L345 HydrophobicContact CG-CD1 4.35Å; I38-L345 HydrophobicContact CD1-CB 3.76Å; I38-L345 HydrophobicContact CD1-CD1 3.78Å; I38-L345 HydrophobicContact CD1-CG 4.44Å; I38-L345 HydrophobicContact CG1-CB 4.14Å; V107-L345 HydrophobicContact CG1-CD2 4.09Å; P109-L345 HydrophobicContact CB-CD1 4.19Å; P109-L345 HydrophobicContact CG-CD1 3.79Å; I143-L345 HydrophobicContact CG2-CD2 4.17Å; L163-L345 HydrophobicContact CD1-CD2 3.89Å; I341-L345 HydrophobicContact CD1-CD1 3.52Å; I341-L345 HydrophobicContact CD1-CG 4.24Å; I341-L345 PolarHBondContact O-N 3.34Å; S342-L345 PolarHBondContact O-N 3.25Å; M343-L345 VanDerWaalsContact C-N 3.32Å; M343-L345 PolarHBondContact O-N 2.91Å; L345-E347 VanDerWaalsContact C-N 3.33Å; L345-E347 PolarHBondContact O-N 2.97Å; L345-A348 PolarHBondContact O-N 3.47Å; L345-I349 VanDerWaalsContact O-CG1 3.31Å; L345-I349 WeakPolarHBondContact O-CG1 3.36Å; L345-I349 PolarHBondContact O-N 3.18Å
346S96.1Very high95.8Very high7 Ų734 Ų345%0.04918%0.183CC..Hα-helixtrans-61.9-41.9176.364.70000111.7L42 S342 M343 A348 I349 R350L42-S346 WeakPolarHBondContact CD2-O 3.42Å; S342-S346 VanDerWaalsContact O-CB 3.31Å; S342-S346 WeakPolarHBondContact O-CB 3.48Å; S342-S346 PolarHBondContact O-N 2.95Å; S342-S346 PolarHBondContact O-OG 2.82Å; S342-S346 VanDerWaalsContact O-OG 3.1Å; M343-S346 PolarHBondContact O-N 3.37Å; M343-S346 PolarHBondContact O-OG 3.32Å; S346-A348 PolarHBondContact O-N 2.94Å; S346-I349 PolarHBondContact O-N 2.84Å; S346-R350 WeakPolarHBondContact O-CB 3.22Å; S346-R350 PolarHBondContact O-N 3.21Å
347E95.2Very high95.4Very high39 Ų3937.1 Ų37.118%0.18221%0.206CC..Hα-helixtrans-68.3-36.5178.4-177.259.1-168.400112.1M343 L345 R350 R351 L361M343-E347 WeakPolarHBondContact O-CB 3.46Å; M343-E347 PolarHBondContact O-N 2.95Å; L345-E347 VanDerWaalsContact C-N 3.33Å; L345-E347 PolarHBondContact O-N 2.97Å; E347-R350 PolarHBondContact O-N 2.83Å; E347-R350 IonicContact OE1-CZ 3.62Å; E347-R350 IonicContact OE1-NE 3.91Å; E347-R350 IonicContact OE1-NH2 3.74Å; E347-R350 PolarHBondContact OE1-NH2 3.04Å; E347-R350 IonicContact OE2-CZ 3.78Å; E347-R350 IonicContact OE2-NE 2.72Å; E347-R350 PolarHBondContact OE2-NE 2.93Å; E347-R350 IonicContact OE2-NH2 3.3Å; E347-R351 WeakPolarHBondContact O-CB 3.27Å; E347-R351 VanDerWaalsContact O-CG 3.3Å; E347-R351 WeakPolarHBondContact O-CG 3.47Å; E347-R351 PolarHBondContact O-N 2.81Å; E347-R351 IonicContact OE1-CZ 3.33Å; E347-R351 IonicContact OE1-NE 2.76Å; E347-R351 PolarHBondContact OE1-NE 2.79Å; E347-R351 IonicContact OE1-NH2 3.82Å; E347-R351 PolarHBondContact OE1-NH2 2.85Å; E347-L361 HydrophobicContact CB-CD2 4.36Å; E347-L361 HydrophobicContact CG-CD2 3.81Å
348A96.6Very high95Very high0 Ų034.2 Ų34.20%019%0.194CC..Hα-helixtrans-62-47.5172.800000111.9I143 L163 I344 L345 S346 R350 R351 I352 M358 L361I143-A348 HydrophobicContact CD1-CB 4.16Å; I143-A348 HydrophobicContact CG2-CB 4.18Å; L163-A348 HydrophobicContact CD1-CB 3.76Å; L163-A348 HydrophobicContact CD2-CB 4.27Å; I344-A348 WeakPolarHBondContact O-CB 3.44Å; I344-A348 PolarHBondContact O-N 3.3Å; L345-A348 PolarHBondContact O-N 3.47Å; S346-A348 PolarHBondContact O-N 2.94Å; A348-R350 PolarHBondContact O-N 3.15Å; A348-R351 PolarHBondContact O-N 2.94Å; A348-I352 WeakPolarHBondContact O-CG1 3.39Å; A348-I352 PolarHBondContact O-N 2.93Å; A348-M358 HydrophobicContact CB-CE 3.63Å; A348-M358 HydrophobicContact CB-SD 4.45Å; A348-L361 HydrophobicContact CB-CD1 4.03Å
349I96.6Very high94.2Very high0 Ų035.7 Ų35.70%021%0.206CC..Hα-helixtrans-58-48.7176.1-69.5164.7000110.5L20 L22 I38 L42 F73 V107 I143 L345 S346 R351 I352 H353L20-I349 HydrophobicContact CD1-CG2 3.98Å; L22-I349 HydrophobicContact CD2-CG2 4.26Å; I38-I349 HydrophobicContact CG2-CD1 3.54Å; L42-I349 HydrophobicContact CD1-CB 4.27Å; L42-I349 HydrophobicContact CD1-CD1 4.37Å; L42-I349 HydrophobicContact CD1-CG2 3.79Å; F73-I349 HydrophobicContact CD1-CB 4.27Å; F73-I349 HydrophobicContact CD1-CG1 3.84Å; F73-I349 HydrophobicContact CD1-CG2 3.84Å; F73-I349 HydrophobicContact CD2-CG2 4.11Å; F73-I349 HydrophobicContact CE1-CB 4.21Å; F73-I349 HydrophobicContact CE1-CG1 4.17Å; F73-I349 HydrophobicContact CE1-CG2 3.83Å; F73-I349 HydrophobicContact CE2-CG2 4.11Å; F73-I349 HydrophobicContact CG-CG1 4.5Å; F73-I349 HydrophobicContact CG-CG2 4Å; F73-I349 HydrophobicContact CZ-CG2 3.96Å; V107-I349 HydrophobicContact CG1-CD1 4.48Å; V107-I349 HydrophobicContact CG2-CD1 4.04Å; V107-I349 HydrophobicContact CG2-CG1 4.05Å; I143-I349 HydrophobicContact CD1-CG1 3.92Å; L345-I349 VanDerWaalsContact O-CG1 3.31Å; L345-I349 WeakPolarHBondContact O-CG1 3.36Å; L345-I349 PolarHBondContact O-N 3.18Å; S346-I349 PolarHBondContact O-N 2.84Å; I349-R351 VanDerWaalsContact C-N 3.34Å; I349-R351 PolarHBondContact O-N 2.61Å; I349-I352 PolarHBondContact O-N 2.94Å; I349-H353 VanDerWaalsContact O-CB 3.32Å; I349-H353 WeakPolarHBondContact O-CB 3.43Å; I349-H353 PolarHBondContact O-N 2.84Å
350R95.1Very high93.2Very high55 Ų5541.7 Ų41.721%0.20823%0.228CC..Hα-helixtrans-57.9-45.6179.6-168.6-167.970.666.77.1111.7M13 L42 S346 E347 A348 N354 E356M13-R350 HydrophobicContact CE-CG 3.8Å; L42-R350 HydrophobicContact CD2-CB 4.04Å; S346-R350 WeakPolarHBondContact O-CB 3.22Å; S346-R350 PolarHBondContact O-N 3.21Å; E347-R350 PolarHBondContact O-N 2.83Å; E347-R350 IonicContact OE1-CZ 3.62Å; E347-R350 IonicContact OE1-NE 3.91Å; E347-R350 IonicContact OE1-NH2 3.74Å; E347-R350 PolarHBondContact OE1-NH2 3.04Å; E347-R350 IonicContact OE2-CZ 3.78Å; E347-R350 IonicContact OE2-NE 2.72Å; E347-R350 PolarHBondContact OE2-NE 2.93Å; E347-R350 IonicContact OE2-NH2 3.3Å; A348-R350 PolarHBondContact O-N 3.15Å; R350-N354 PolarHBondContact NH1-ND2 3.38Å; R350-N354 WeakPolarHBondContact O-CB 3.5Å; R350-N354 PolarHBondContact O-N 3.21Å; R350-E356 IonicContact CZ-OE1 3.6Å; R350-E356 IonicContact CZ-OE2 3.63Å; R350-E356 VanDerWaalsContact CZ-OE2 3.3Å; R350-E356 VanDerWaalsContact NH1-CD 3.25Å; R350-E356 IonicContact NH1-OE1 3.86Å; R350-E356 PolarHBondContact NH1-OE1 3.22Å; R350-E356 IonicContact NH1-OE2 2.86Å; R350-E356 PolarHBondContact NH1-OE2 3.45Å; R350-E356 IonicContact NH2-OE1 2.77Å; R350-E356 IonicContact NH2-OE2 3.57Å; R350-E356 PolarHBondContact NH2-OE2 3.13Å
351R94.8Very high92.4Very high36 Ų3640.9 Ų40.914%0.13622%0.223CC..Hα-helixtrans-66.2-47-179.4-75.1176.8-178.8-78.2-17.8112.4E347 A348 I349 H353 N354 G355 E356 S357 M358E347-R351 WeakPolarHBondContact O-CB 3.27Å; E347-R351 VanDerWaalsContact O-CG 3.3Å; E347-R351 WeakPolarHBondContact O-CG 3.47Å; E347-R351 PolarHBondContact O-N 2.81Å; E347-R351 IonicContact OE1-CZ 3.33Å; E347-R351 IonicContact OE1-NE 2.76Å; E347-R351 PolarHBondContact OE1-NE 2.79Å; E347-R351 IonicContact OE1-NH2 3.82Å; E347-R351 PolarHBondContact OE1-NH2 2.85Å; A348-R351 PolarHBondContact O-N 2.94Å; I349-R351 VanDerWaalsContact C-N 3.34Å; I349-R351 PolarHBondContact O-N 2.61Å; R351-H353 VanDerWaalsContact C-N 3.32Å; R351-H353 PolarHBondContact O-N 3.45Å; R351-N354 PolarHBondContact O-N 2.96Å; R351-G355 PolarHBondContact O-N 3.4Å; R351-E356 HydrophobicContact CB-CB 4.09Å; R351-E356 HydrophobicContact CG-CB 4.05Å; R351-E356 PolarHBondContact O-N 3.31Å; R351-S357 WeakPolarHBondContact CD-O 2.98Å; R351-S357 PolarHBondContact NH1-O 3.42Å; R351-M358 HydrophobicContact CB-SD 3.68Å; R351-M358 HydrophobicContact CG-SD 4.43Å
352I95.1Very high91.3Very high36 Ų3644.1 Ų44.119%0.18524%0.238CC..Hα-helixtrans-60.8-44.6178.3-69.6172.7000110.5F73 I143 D161 A348 I349 N354 G355 M358F73-I352 HydrophobicContact CE1-CB 4.47Å; F73-I352 HydrophobicContact CE1-CG2 4.25Å; F73-I352 HydrophobicContact CZ-CG2 4.25Å; I143-I352 HydrophobicContact CD1-CD1 3.44Å; I143-I352 VanDerWaalsContact CD1-CD1 3.44Å; I143-I352 HydrophobicContact CG1-CD1 3.56Å; D161-I352 VanDerWaalsContact OD2-CD1 3.23Å; D161-I352 WeakPolarHBondContact OD2-CD1 3.43Å; A348-I352 WeakPolarHBondContact O-CG1 3.39Å; A348-I352 PolarHBondContact O-N 2.93Å; I349-I352 PolarHBondContact O-N 2.94Å; I352-N354 VanDerWaalsContact C-N 3.34Å; I352-N354 PolarHBondContact O-N 2.92Å; I352-G355 PolarHBondContact O-N 2.82Å; I352-M358 HydrophobicContact CG1-SD 4.35Å
353H94.5Very high89.6Confident33 Ų3352.6 Ų52.615%0.15327%0.27CS..Hα-helixtrans-61.3-41.3178.7-176.463.8000112.8T16 G18 L20 F73 I349 R351 G355T16-H353 PolarHBondContact OG1-NE2 2.77Å; G18-H353 PolarHBondContact O-CE1 3.16Å; G18-H353 VanDerWaalsContact O-CE1 3.31Å; L20-H353 HydrophobicContact CD1-CB 3.96Å; F73-H353 HydrophobicContact CE2-CB 4.31Å; F73-H353 HydrophobicContact CZ-CB 4.12Å; I349-H353 VanDerWaalsContact O-CB 3.32Å; I349-H353 WeakPolarHBondContact O-CB 3.43Å; I349-H353 PolarHBondContact O-N 2.84Å; R351-H353 VanDerWaalsContact C-N 3.32Å; R351-H353 PolarHBondContact O-N 3.45Å; H353-G355 VanDerWaalsContact C-N 3.35Å
354N93.4Very high87.7Confident70 Ų7054.9 Ų54.937%0.37428%0.283SS..Hα-helixtrans-84.9-3.3179.7-69.9-12.7000114.3R350 R351 I352 E356R350-N354 PolarHBondContact NH1-ND2 3.38Å; R350-N354 WeakPolarHBondContact O-CB 3.5Å; R350-N354 PolarHBondContact O-N 3.21Å; R351-N354 PolarHBondContact O-N 2.96Å; I352-N354 VanDerWaalsContact C-N 3.34Å; I352-N354 PolarHBondContact O-N 2.92Å; N354-E356 VanDerWaalsContact C-N 3.26Å; N354-E356 HydrophobicContact CB-CG 3.83Å; N354-E356 WeakPolarHBondContact CB-OE1 3.41Å; N354-E356 PolarHBondContact ND2-OE1 2.72Å; N354-E356 PolarHBondContact O-N 3.49Å
355G92.3Very high86.1Confident72 Ų7256.1 Ų56.174%0.74229%0.29SS*.THydrogen-bonded Turntrans67.125.5-173.700000113.8R351 I352 H353R351-G355 PolarHBondContact O-N 3.4Å; I352-G355 PolarHBondContact O-N 2.82Å; H353-G355 VanDerWaalsContact C-N 3.35Å
356E92.7Very high84Confident72 Ų7257.4 Ų57.434%0.33630%0.303SS..  trans-83.4155.6178.9-65.8171.6-149.400111.8R350 R351 N354 M358R350-E356 IonicContact CZ-OE1 3.6Å; R350-E356 IonicContact CZ-OE2 3.63Å; R350-E356 VanDerWaalsContact CZ-OE2 3.3Å; R350-E356 VanDerWaalsContact NH1-CD 3.25Å; R350-E356 IonicContact NH1-OE1 3.86Å; R350-E356 PolarHBondContact NH1-OE1 3.22Å; R350-E356 IonicContact NH1-OE2 2.86Å; R350-E356 PolarHBondContact NH1-OE2 3.45Å; R350-E356 IonicContact NH2-OE1 2.77Å; R350-E356 IonicContact NH2-OE2 3.57Å; R350-E356 PolarHBondContact NH2-OE2 3.13Å; R351-E356 HydrophobicContact CB-CB 4.09Å; R351-E356 HydrophobicContact CG-CB 4.05Å; R351-E356 PolarHBondContact O-N 3.31Å; N354-E356 VanDerWaalsContact C-N 3.26Å; N354-E356 HydrophobicContact CB-CG 3.83Å; N354-E356 WeakPolarHBondContact CB-OE1 3.41Å; N354-E356 PolarHBondContact ND2-OE1 2.72Å; N354-E356 PolarHBondContact O-N 3.49Å; E356-M358 PolarHBondContact O-N 3.33Å
357S90.6Very high81.8Confident71 Ų7164.3 Ų64.350%0.49734%0.339SS..  trans-66132.6177.8172.90000112.2R351 S359R351-S357 WeakPolarHBondContact CD-O 2.98Å; R351-S357 PolarHBondContact NH1-O 3.42Å; S357-S359 VanDerWaalsContact C-N 3.28Å; S357-S359 VanDerWaalsContact OG-CB 3.31Å; S357-S359 WeakPolarHBondContact OG-CB 3.33Å; S357-S359 PolarHBondContact OG-N 2.7Å; S357-S359 VanDerWaalsContact OG-N 3.09Å; S357-S359 PolarHBondContact OG-OG 2.91Å
358M89.8Confident79.6Confident24 Ų2465.6 Ų65.612%0.11835%0.347CS..THydrogen-bonded Turntrans-76.5-11.4171.6-70-64.8-8100113.4D161 L163 A348 R351 I352 E356 Y360 L361 F362D161-M358 HydrophobicContact CB-CE 4.11Å; L163-M358 HydrophobicContact CD2-CE 3.7Å; A348-M358 HydrophobicContact CB-CE 3.63Å; A348-M358 HydrophobicContact CB-SD 4.45Å; R351-M358 HydrophobicContact CB-SD 3.68Å; R351-M358 HydrophobicContact CG-SD 4.43Å; I352-M358 HydrophobicContact CG1-SD 4.35Å; E356-M358 PolarHBondContact O-N 3.33Å; M358-Y360 PolarHBondContact O-N 3.24Å; M358-L361 HydrophobicContact CE-CD1 3.65Å; M358-L361 WeakPolarHBondContact O-CB 3.16Å; M358-L361 PolarHBondContact O-N 3.02Å; M358-L361 HydrophobicContact SD-CD1 4Å; M358-F362 HydrophobicContact CB-CD2 4.47Å; M358-F362 HydrophobicContact CB-CE2 4.11Å; M358-F362 VanDerWaalsContact O-CD2 3.3Å; M358-F362 WeakPolarHBondContact O-CD2 3.46Å
359S81.1Confident77.7Confident73 Ų7366 Ų6651%0.5135%0.349SS..Hα-helixtrans-57.2-28.4-172.2-55.30000113.7S357 L361 F362 R363S357-S359 VanDerWaalsContact C-N 3.28Å; S357-S359 VanDerWaalsContact OG-CB 3.31Å; S357-S359 WeakPolarHBondContact OG-CB 3.33Å; S357-S359 PolarHBondContact OG-N 2.7Å; S357-S359 VanDerWaalsContact OG-N 3.09Å; S357-S359 PolarHBondContact OG-OG 2.91Å; S359-L361 VanDerWaalsContact C-N 3.3Å; S359-L361 PolarHBondContact O-N 3.23Å; S359-F362 CarbonylContact O-C 3.58Å; S359-F362 PolarHBondContact O-N 3.08Å; S359-R363 WeakPolarHBondContact O-CG 3.44Å; S359-R363 PolarHBondContact O-N 3.44Å; S359-R363 VanDerWaalsContact O-N 3.08Å
360Y76.5Confident76.7Confident143 Ų14369.4 Ų69.456%0.56137%0.367SS*.Hα-helixtrans-62-37.9177.3-170.5-95.2000112.5M358 F362 R363M358-Y360 PolarHBondContact O-N 3.24Å; Y360-F362 PolarHBondContact O-N 2.99Å; Y360-R363 PolarHBondContact O-N 3.35Å
361L80.4Confident75.8Confident26 Ų2670.1 Ų70.114%0.13638%0.375CS..Hα-helixtrans-67.5-15.7176.2-61.5-178.8000112.3L163 I344 E347 A348 M358 S359 I365L163-L361 HydrophobicContact CD2-CD1 4.18Å; I344-L361 HydrophobicContact CG1-CD1 4.49Å; I344-L361 HydrophobicContact CG1-CD2 4.22Å; E347-L361 HydrophobicContact CB-CD2 4.36Å; E347-L361 HydrophobicContact CG-CD2 3.81Å; A348-L361 HydrophobicContact CB-CD1 4.03Å; M358-L361 HydrophobicContact CE-CD1 3.65Å; M358-L361 WeakPolarHBondContact O-CB 3.16Å; M358-L361 PolarHBondContact O-N 3.02Å; M358-L361 HydrophobicContact SD-CD1 4Å; S359-L361 VanDerWaalsContact C-N 3.3Å; S359-L361 PolarHBondContact O-N 3.23Å; L361-I365 WeakPolarHBondContact O-CD1 3.42Å
362F73.3Confident74.7Confident69 Ų6972 Ų7230%0.30339%0.388SS..Hα-helixtrans-108.6-3.2-179.5-60.5-77000115.1N162 L163 M358 S359 Y360 N364 I365N162-F362 WeakPolarHBondContact O-CE1 3.36Å; L163-F362 HydrophobicContact CD2-CZ 4.05Å; M358-F362 HydrophobicContact CB-CD2 4.47Å; M358-F362 HydrophobicContact CB-CE2 4.11Å; M358-F362 VanDerWaalsContact O-CD2 3.3Å; M358-F362 WeakPolarHBondContact O-CD2 3.46Å; S359-F362 CarbonylContact O-C 3.58Å; S359-F362 PolarHBondContact O-N 3.08Å; Y360-F362 PolarHBondContact O-N 2.99Å; F362-N364 VanDerWaalsContact C-N 3.26Å; F362-N364 PolarHBondContact O-N 3.15Å; F362-N364 VanDerWaalsContact O-N 3.14Å; F362-I365 HydrophobicContact CD1-CD1 3.89Å; F362-I365 PolarHBondContact O-N 2.79Å
363R61.3Low73.5Confident178 Ų17874.1 Ų74.167%0.67240%0.4SS*.THydrogen-bonded Turntrans-60.5-28.5-171.6-86.8-179.6-175.3-178.51114.9S359 Y360S359-R363 WeakPolarHBondContact O-CG 3.44Å; S359-R363 PolarHBondContact O-N 3.44Å; S359-R363 VanDerWaalsContact O-N 3.08Å; Y360-R363 PolarHBondContact O-N 3.35Å
364N55Low72.2Confident139 Ų13976.7 Ų76.774%0.74342%0.416SS*.THydrogen-bonded Turntrans-115.124.2-176.6-64.2-21.7000112.8F362F362-N364 VanDerWaalsContact C-N 3.26Å; F362-N364 PolarHBondContact O-N 3.15Å; F362-N364 VanDerWaalsContact O-N 3.14Å
365I60.2Low70.8Confident35 Ų3577.1 Ų77.118%0.17942%0.419CS..  trans-107.9131.7-174.6-61.8-174000109.7R164 P167 L361 F362 D369R164-I365 HydrophobicContact CB-CD1 3.63Å; R164-I365 HydrophobicContact CB-CG1 4.5Å; R164-I365 HydrophobicContact CB-CG2 4.4Å; R164-I365 HydrophobicContact CG-CD1 3.54Å; R164-I365 HydrophobicContact CG-CG1 4.39Å; R164-I365 HydrophobicContact CG-CG2 3.58Å; P167-I365 HydrophobicContact CG-CD1 4.32Å; P167-I365 HydrophobicContact CG-CG1 4.11Å; L361-I365 WeakPolarHBondContact O-CD1 3.42Å; F362-I365 HydrophobicContact CD1-CD1 3.89Å; F362-I365 PolarHBondContact O-N 2.79Å; I365-D369 HydrophobicContact CG2-CB 4.09Å
366G52.8Low69.2Low27 Ų2777.5 Ų77.528%0.27840%0.395SS..  trans-71.4151.917700000112.3D368 D369G366-D368 PolarHBondContact O-N 2.98Å; G366-D369 PolarHBondContact O-N 3.04Å
367L49.8Very low67.4Low152 Ų15277.9 Ų77.980%0.79640%0.4SS*.THydrogen-bonded Turntrans-65.8-21-179.3-137.9132.4000113K150K150-L367 PolarHBondContact NZ-O 3.21Å
368D50.3Low65.5Low67 Ų6778.5 Ų78.536%0.35839%0.392SS..THydrogen-bonded Turntrans-106.27.7-176-67.4-54.5000114.5G366G366-D368 PolarHBondContact O-N 2.98Å
369D55.6Low63.3Low9 Ų983.5 Ų83.55%0.04842%0.417CS..  trans-60.40170.9-97.1-15.1000114.2R164 S166 R195 S198 R202 I365 G366R164-D369 PolarHBondContact NH1-O 3.29Å; R164-D369 PolarHBondContact NH1-OXT 2.84Å; R164-D369 PolarHBondContact NH2-O 2.97Å; S166-D369 WeakPolarHBondContact CB-OD2 3.32Å; S166-D369 PolarHBondContact OG-OD2 2.84Å; R195-D369 PolarHBondContact NH1-OXT 2.94Å; S198-D369 VanDerWaalsContact CB-OD1 3.22Å; S198-D369 WeakPolarHBondContact CB-OD1 3.44Å; S198-D369 PolarHBondContact OG-OD1 3.34Å; R202-D369 IonicContact CZ-OD1 2.71Å; R202-D369 IonicContact CZ-OD2 2.73Å; R202-D369 IonicContact NH1-OD2 2.81Å; R202-D369 PolarHBondContact NH1-OD2 2.85Å; R202-D369 IonicContact NH2-OD1 3.44Å; R202-D369 PolarHBondContact NH2-OD1 3.11Å; R202-D369 IonicContact NH2-OD2 2.81Å; R202-D369 PolarHBondContact NH2-OD2 2.84Å; I365-D369 HydrophobicContact CG2-CB 4.09Å; G366-D369 PolarHBondContact O-N 3.04Å

Retrieved 369 of 369 residues in 739.2 ms (Link to these results)

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