A0A077ZJ37_TRITR Loading...

tRNA (uracil(54)-C(5))-methyltransferase

AlphaFold DB , UniProt , Accession A0A077ZJ37, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 457 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
1M51.4Low82.3Confident240 Ų24095.8 Ų95.8100%1.18252%0.515SS*.  0122.80-67.1178.6-166.400108.8
2A62.6Low83.6Confident87 Ų8796.1 Ų96.172%0.71952%0.523SS*.  trans-65.3135.4172.600000109.3Q4A2-Q4 PolarHBondContact O-N 3.25Å
3V65.9Low84.7Confident46 Ų4689.1 Ų89.128%0.27949%0.485SS..  trans-68.5107.8178.7178.30000107.8L5 Y28 K29V3-L5 HydrophobicContact CG1-CD2 4.44Å; V3-L5 HydrophobicContact CG1-CG 4.31Å; V3-L5 PolarHBondContact O-N 3.17Å; V3-L5 VanDerWaalsContact O-N 3.14Å; V3-Y28 HydrophobicContact CG1-CD1 3.95Å; V3-Y28 HydrophobicContact CG1-CE1 3.8Å; V3-K29 HydrophobicContact CB-CB 4.49Å; V3-K29 HydrophobicContact CG1-CB 4.33Å; V3-K29 HydrophobicContact CG1-CD 4.12Å; V3-K29 HydrophobicContact CG2-CB 3.43Å; V3-K29 VanDerWaalsContact CG2-CB 3.43Å; V3-K29 HydrophobicContact CG2-CD 3.95Å; V3-K29 HydrophobicContact CG2-CG 4.34Å
4Q77.8Confident85.6Confident168 Ų16893.2 Ų93.279%0.78550%0.496SS*.  trans-80.792.2174.4-74.3-173-2.900109.6A2A2-Q4 PolarHBondContact O-N 3.25Å
5L88.9Confident86.5Confident14 Ų1487.3 Ų87.37%0.07346%0.464CS..  trans-76.2140.6160.9-69.7-177.7000109.3V3 L11 Y28 L31 I33 I48 A51 A56V3-L5 HydrophobicContact CG1-CD2 4.44Å; V3-L5 HydrophobicContact CG1-CG 4.31Å; V3-L5 PolarHBondContact O-N 3.17Å; V3-L5 VanDerWaalsContact O-N 3.14Å; L5-L11 HydrophobicContact CD1-CD1 4.35Å; L5-L11 HydrophobicContact CD2-CD1 3.78Å; L5-Y28 HydrophobicContact CD1-CD1 4.41Å; L5-Y28 HydrophobicContact CD2-CD1 3.75Å; L5-Y28 HydrophobicContact CD2-CE1 3.63Å; L5-Y28 HydrophobicContact CG-CD1 4.36Å; L5-L31 HydrophobicContact CD1-CD2 3.61Å; L5-L31 HydrophobicContact CG-CD2 4.1Å; L5-I33 HydrophobicContact CD1-CD1 3.83Å; L5-I33 HydrophobicContact CD1-CG1 4.35Å; L5-I48 HydrophobicContact CD1-CD1 4.03Å; L5-I48 HydrophobicContact CD1-CG1 4.32Å; L5-A51 HydrophobicContact CB-CB 4.09Å; L5-A51 WeakPolarHBondContact O-CB 3.21Å; L5-A56 HydrophobicContact CD1-CB 3.89Å
6K88.3Confident87.1Confident142 Ų14290.8 Ų90.862%0.61747%0.474SS*.  trans-106.6143.7174.7-64.2-177.3-179-178.50110.1Q9K6-Q9 WeakPolarHBondContact O-CB 3.36Å; K6-Q9 PolarHBondContact O-N 3.26Å; K6-Q9 VanDerWaalsContact O-N 3.14Å
7P89.9Confident87.6Confident79 Ų7990.4 Ų90.451%0.51347%0.465SS..THydrogen-bonded Turntrans-49.8146.3165.1-25.534.8000111.1Q9P7-Q9 PolarHBondContact O-N 3.2Å; P7-Q9 VanDerWaalsContact O-N 3.17Å
8N92.9Very high88.2Confident122 Ų12285.7 Ų85.765%0.65244%0.441SS*.THydrogen-bonded Turntrans67.9-5.5-174-58.6-47.9000116.7T10 I48N8-T10 PolarHBondContact O-N 2.95Å; N8-I48 PolarHBondContact N-O 3.45Å
9Q94.7Very high88.5Confident65 Ų6581.3 Ų81.330%0.30442%0.419SS..  trans-61.1134.3170.2-174.2174.11.400110K6 P7 L11 R47 I48K6-Q9 WeakPolarHBondContact O-CB 3.36Å; K6-Q9 PolarHBondContact O-N 3.26Å; K6-Q9 VanDerWaalsContact O-N 3.14Å; P7-Q9 PolarHBondContact O-N 3.2Å; P7-Q9 VanDerWaalsContact O-N 3.17Å; Q9-L11 HydrophobicContact CG-CD2 4.18Å; Q9-L11 HydrophobicContact CG-CG 4.45Å; Q9-R47 WeakPolarHBondContact O-CA 3.29Å; Q9-I48 HydrophobicContact CB-CG1 4.31Å; Q9-I48 WeakPolarHBondContact O-CG1 3.41Å; Q9-I48 PolarHBondContact O-N 3.26Å
10T96.3Very high88.7Confident75 Ų7580.1 Ų80.146%0.4641%0.413SS..EExtended strand (participates in β ladder)trans-104.9132.4177.7-61.50000109.8N8 I45 A46N8-T10 PolarHBondContact O-N 2.95Å; T10-I45 HydrophobicContact CG2-CG2 3.18Å; T10-A46 CarbonylContact C-O 3.59Å; T10-A46 WeakPolarHBondContact CA-O 3.43Å
11L96.8Very high88.9Confident16 Ų1680.1 Ų80.18%0.08441%0.414CS..EExtended strand (participates in β ladder)trans-129.5146.9-177.3-60.9175.4000110.5L5 Q9 L13 Y28 I33 I45 A46 I48L5-L11 HydrophobicContact CD1-CD1 4.35Å; L5-L11 HydrophobicContact CD2-CD1 3.78Å; Q9-L11 HydrophobicContact CG-CD2 4.18Å; Q9-L11 HydrophobicContact CG-CG 4.45Å; L11-L13 HydrophobicContact CB-CD2 3.92Å; L11-L13 HydrophobicContact CB-CG 4.03Å; L11-L13 HydrophobicContact CD1-CD2 4.21Å; L11-Y28 HydrophobicContact CD1-CD1 4.22Å; L11-Y28 HydrophobicContact CD1-CD2 4.3Å; L11-Y28 HydrophobicContact CD1-CE1 4.46Å; L11-Y28 HydrophobicContact CD1-CG 4.12Å; L11-Y28 HydrophobicContact CD2-CE2 4.18Å; L11-I33 HydrophobicContact CD1-CD1 3.87Å; L11-I45 WeakPolarHBondContact O-CA 3.27Å; L11-A46 PolarHBondContact N-O 2.71Å; L11-A46 PolarHBondContact O-N 3.23Å; L11-I48 HydrophobicContact CD1-CD1 4.05Å; L11-I48 HydrophobicContact CD1-CG1 4.38Å
12T97.6Very high91Very high99 Ų9968.9 Ų68.961%0.60736%0.359SS*.EExtended strand (participates in β ladder)trans-89.1117.9164.1-59.90000108.7T43 V44T12-T43 HydrophobicContact CG2-CG2 3.57Å; T12-V44 CarbonylContact C-O 3.52Å; T12-V44 WeakPolarHBondContact CA-O 3.46Å
13L97.8Very high92.5Very high5 Ų565.8 Ų65.83%0.02633%0.33CS..EExtended strand (participates in β ladder)trans-120.5137-173.7-60.3177.9000110.4L11 A26 I33 V35 T43 V44 A46L11-L13 HydrophobicContact CB-CD2 3.92Å; L11-L13 HydrophobicContact CB-CG 4.03Å; L11-L13 HydrophobicContact CD1-CD2 4.21Å; L13-A26 HydrophobicContact CB-CB 3.85Å; L13-A26 HydrophobicContact CD1-CB 4.11Å; L13-A26 HydrophobicContact CD2-CB 4.38Å; L13-A26 HydrophobicContact CG-CB 4.34Å; L13-I33 HydrophobicContact CD1-CB 4.28Å; L13-I33 HydrophobicContact CD1-CD1 4Å; L13-I33 HydrophobicContact CD1-CG2 3.88Å; L13-I33 HydrophobicContact CD2-CD1 3.96Å; L13-V35 HydrophobicContact CD1-CG2 3.96Å; L13-T43 WeakPolarHBondContact O-CA 3.5Å; L13-V44 HydrophobicContact CB-CG2 4.17Å; L13-V44 PolarHBondContact N-O 2.7Å; L13-V44 PolarHBondContact O-N 2.71Å; L13-A46 HydrophobicContact CD1-CB 3.91Å
14K98Very high94.1Very high147 Ų14763.6 Ų63.664%0.63932%0.316SS*.EExtended strand (participates in β ladder)trans-94119167-65.9-174.7-179.9-179.60108.4E42 T43K14-E42 WeakPolarHBondContact CA-O 3.12Å; K14-T43 HydrophobicContact CG-CG2 4.38Å
15I98.3Very high95Very high5 Ų556.1 Ų56.13%0.02628%0.282CS..  trans-78.9130.1-179.6-51.1-56.6000109.2A26 V35 A38 L39 N41 E42 V44I15-A26 HydrophobicContact CD1-CB 4.13Å; I15-V35 HydrophobicContact CD1-CB 4.3Å; I15-V35 HydrophobicContact CD1-CG2 4.12Å; I15-A38 HydrophobicContact CD1-CB 3.83Å; I15-A38 HydrophobicContact CG1-CB 3.81Å; I15-L39 WeakPolarHBondContact CB-O 3.45Å; I15-L39 VanDerWaalsContact CG2-O 3.23Å; I15-L39 WeakPolarHBondContact CG2-O 3.38Å; I15-N41 PolarHBondContact O-N 3.2Å; I15-E42 HydrophobicContact CG1-CB 4.22Å; I15-E42 PolarHBondContact N-O 3.24Å; I15-V44 HydrophobicContact CD1-CG2 3.76Å; I15-V44 HydrophobicContact CG1-CG1 4.34Å; I15-V44 HydrophobicContact CG1-CG2 4.15Å
16K96.6Very high95.4Very high142 Ų14255.5 Ų55.562%0.61728%0.278SS*.  trans-100-40.7-173.9-69.3-62.1-172.7174.10113.4I25 Y27K16-I25 PolarHBondContact N-O 2.9Å; K16-Y27 HydrophobicContact CB-CD2 4.49Å; K16-Y27 HydrophobicContact CB-CE2 4.33Å; K16-Y27 HydrophobicContact CG-CD2 4.08Å; K16-Y27 HydrophobicContact CG-CE2 4.37Å
17R95.8Very high95.8Very high85 Ų8553.6 Ų53.632%0.32127%0.268SS..EExtended strand (participates in β ladder)trans-159.3177.9-177.562.9-174-179.7-167.16.6109.8I25 Y27R17-I25 HydrophobicContact CG-CB 4.04Å; R17-I25 HydrophobicContact CG-CD1 4.33Å; R17-I25 HydrophobicContact CG-CG2 4.47Å; R17-I25 PolarHBondContact O-N 3.09Å; R17-Y27 PolarHBondContact NH2-OH 3.06Å; R17-Y27 VanDerWaalsContact NH2-OH 3.09Å
18L97.4Very high96Very high5 Ų552.9 Ų52.93%0.02626%0.256CS..EExtended strand (participates in β ladder)trans-100.6149.3171-66.5176.8000110.8E23 A38 L39 P40 L86 L89 F97 Q104L18-E23 CarbonylContact C-O 3.52Å; L18-E23 WeakPolarHBondContact CA-O 3.5Å; L18-A38 WeakPolarHBondContact CD2-O 3.3Å; L18-L39 HydrophobicContact CD1-CD2 4.22Å; L18-L39 HydrophobicContact CD2-CD2 4.17Å; L18-P40 HydrophobicContact CD2-CG 4.48Å; L18-P40 HydrophobicContact CG-CG 3.93Å; L18-L86 HydrophobicContact CD1-CD2 4.35Å; L18-L89 HydrophobicContact CD1-CD2 4.01Å; L18-F97 HydrophobicContact CB-CD2 3.47Å; L18-F97 VanDerWaalsContact CB-CD2 3.47Å; L18-F97 HydrophobicContact CB-CE2 3.2Å; L18-F97 HydrophobicContact CB-CG 4.45Å; L18-F97 HydrophobicContact CB-CZ 4.03Å; L18-F97 HydrophobicContact CD1-CB 4.31Å; L18-F97 HydrophobicContact CD1-CD1 4.38Å; L18-F97 HydrophobicContact CD1-CD2 3.67Å; L18-F97 HydrophobicContact CD1-CE2 4.02Å; L18-F97 HydrophobicContact CD1-CG 3.84Å; L18-F97 HydrophobicContact CD1-CZ 4.48Å; L18-F97 HydrophobicContact CG-CD2 4.14Å; L18-F97 HydrophobicContact CG-CE2 4.23Å; L18-Q104 PolarHBondContact O-NE2 3Å
19G94.8Very high95.8Very high3 Ų354 Ų543%0.03126%0.255CS..  trans-91.9177.417300000112.9N21 G22 E23 F97G19-N21 PolarHBondContact O-N 2.83Å; G19-N21 VanDerWaalsContact O-N 3.14Å; G19-G22 PolarHBondContact O-N 3.18Å; G19-E23 PolarHBondContact N-O 2.79Å; G19-F97 WeakPolarHBondContact O-CE2 3.24Å; G19-F97 VanDerWaalsContact O-CZ 3.24Å; G19-F97 WeakPolarHBondContact O-CZ 3.44Å
20I92.5Very high95.6Very high57 Ų5762.4 Ų62.429%0.29228%0.284SS..THydrogen-bonded Turntrans-64.5-18.8-171.6-164.6169.1000114.2L101 V417I20-L101 HydrophobicContact CB-CD2 4.5Å; I20-V417 HydrophobicContact CD1-CG2 4.4Å
21N92.4Very high95.5Very high81 Ų8159.6 Ų59.643%0.43327%0.266SS..THydrogen-bonded Turntrans-10612.3175.4-43.2-70.2000112.7G19 E23 A446G19-N21 PolarHBondContact O-N 2.83Å; G19-N21 VanDerWaalsContact O-N 3.14Å; N21-E23 WeakPolarHBondContact CA-OE2 3.41Å; N21-E23 WeakPolarHBondContact CB-OE2 3.22Å; N21-E23 PolarHBondContact N-OE2 2.77Å; N21-A446 VanDerWaalsContact C-CB 3.44Å
22G95Very high95.4Very high3 Ų361.5 Ų61.53%0.03128%0.275CS..SBendtrans84.27.8-179.900000114.3G19G19-G22 PolarHBondContact O-N 3.18Å
23E95.8Very high95.4Very high23 Ų2356.8 Ų56.811%0.10725%0.246CC..  trans-74.6141.3174.770.3-76.3-176.900112.1L18 G19 N21 F34L18-E23 CarbonylContact C-O 3.52Å; L18-E23 WeakPolarHBondContact CA-O 3.5Å; G19-E23 PolarHBondContact N-O 2.79Å; N21-E23 WeakPolarHBondContact CA-OE2 3.41Å; N21-E23 WeakPolarHBondContact CB-OE2 3.22Å; N21-E23 PolarHBondContact N-OE2 2.77Å; E23-F34 HydrophobicContact CG-CB 3.9Å; E23-F34 HydrophobicContact CG-CD1 3.57Å; E23-F34 HydrophobicContact CG-CG 4.1Å
24G97.8Very high95.4Very high0 Ų059 Ų590%026%0.256CS..EExtended strand (participates in β ladder)trans-67.9134.1172.700000111.4F34 V35 A38G24-F34 CarbonylContact O-C 3.49Å; G24-F34 WeakPolarHBondContact O-CA 3.39Å; G24-V35 PolarHBondContact N-O 2.88Å; G24-V35 PolarHBondContact O-N 2.83Å; G24-A38 VanDerWaalsContact CA-O 3.3Å; G24-A38 WeakPolarHBondContact CA-O 3.34Å; G24-A38 PolarHBondContact N-O 2.99Å
25I97.6Very high95.3Very high10 Ų1052 Ų525%0.05123%0.226CC..EExtended strand (participates in β ladder)trans-104.7121.1176.5-64.8177.7000109.6K16 R17 Y27 I32 F34K16-I25 PolarHBondContact N-O 2.9Å; R17-I25 HydrophobicContact CG-CB 4.04Å; R17-I25 HydrophobicContact CG-CD1 4.33Å; R17-I25 HydrophobicContact CG-CG2 4.47Å; R17-I25 PolarHBondContact O-N 3.09Å; I25-Y27 HydrophobicContact CG2-CE2 4.01Å; I25-I32 HydrophobicContact CG2-CG2 4.04Å; I25-F34 HydrophobicContact CD1-CD1 4.42Å; I25-F34 HydrophobicContact CD1-CE1 4.03Å; I25-F34 HydrophobicContact CG1-CD1 3.92Å; I25-F34 HydrophobicContact CG1-CE1 4Å
26A97.8Very high95.1Very high1 Ų156.9 Ų56.91%0.00826%0.256CS..EExtended strand (participates in β ladder)trans-116.7163.2168.400000110.9L13 I15 I33L13-A26 HydrophobicContact CB-CB 3.85Å; L13-A26 HydrophobicContact CD1-CB 4.11Å; L13-A26 HydrophobicContact CD2-CB 4.38Å; L13-A26 HydrophobicContact CG-CB 4.34Å; I15-A26 HydrophobicContact CD1-CB 4.13Å; A26-I33 PolarHBondContact N-O 2.84Å; A26-I33 PolarHBondContact O-N 3.38Å
27Y95.7Very high95Very high103 Ų10350.9 Ų50.940%0.40424%0.235SC..EExtended strand (participates in β ladder)trans-121.5125.9174.3-63.1-91.8000109.2K16 R17 I25 L31 I32K16-Y27 HydrophobicContact CB-CD2 4.49Å; K16-Y27 HydrophobicContact CB-CE2 4.33Å; K16-Y27 HydrophobicContact CG-CD2 4.08Å; K16-Y27 HydrophobicContact CG-CE2 4.37Å; R17-Y27 PolarHBondContact NH2-OH 3.06Å; R17-Y27 VanDerWaalsContact NH2-OH 3.09Å; I25-Y27 HydrophobicContact CG2-CE2 4.01Å; Y27-L31 WeakPolarHBondContact CA-O 3.38Å; Y27-I32 HydrophobicContact CD1-CG1 4.1Å; Y27-I32 HydrophobicContact CE1-CD1 4.41Å; Y27-I32 HydrophobicContact CE1-CG1 3.72Å
28Y93.5Very high95.1Very high64 Ų6446.9 Ų46.925%0.25122%0.219SC..EExtended strand (participates in β ladder)trans-122.9111.9173.5-179.2-103.8000109V3 L5 L11 R30 L31 I33V3-Y28 HydrophobicContact CG1-CD1 3.95Å; V3-Y28 HydrophobicContact CG1-CE1 3.8Å; L5-Y28 HydrophobicContact CD1-CD1 4.41Å; L5-Y28 HydrophobicContact CD2-CD1 3.75Å; L5-Y28 HydrophobicContact CD2-CE1 3.63Å; L5-Y28 HydrophobicContact CG-CD1 4.36Å; L11-Y28 HydrophobicContact CD1-CD1 4.22Å; L11-Y28 HydrophobicContact CD1-CD2 4.3Å; L11-Y28 HydrophobicContact CD1-CE1 4.46Å; L11-Y28 HydrophobicContact CD1-CG 4.12Å; L11-Y28 HydrophobicContact CD2-CE2 4.18Å; Y28-R30 PolarHBondContact O-N 3.4Å; Y28-L31 PolarHBondContact N-O 2.88Å; Y28-L31 WeakPolarHBondContact O-CB 3.35Å; Y28-L31 PolarHBondContact O-N 3.17Å; Y28-I33 HydrophobicContact CG-CD1 4.36Å
29K90.2Very high95.1Very high145 Ų14546.6 Ų46.663%0.6322%0.218SC*.THydrogen-bonded Turntrans48.746.2-177.4-61.2-176.8-179.5-173.90112.6V3 L31V3-K29 HydrophobicContact CB-CB 4.49Å; V3-K29 HydrophobicContact CG1-CB 4.33Å; V3-K29 HydrophobicContact CG1-CD 4.12Å; V3-K29 HydrophobicContact CG2-CB 3.43Å; V3-K29 VanDerWaalsContact CG2-CB 3.43Å; V3-K29 HydrophobicContact CG2-CD 3.95Å; V3-K29 HydrophobicContact CG2-CG 4.34Å; K29-L31 PolarHBondContact O-N 3.14Å
30R89.7Confident95.2Very high242 Ų24248.1 Ų48.191%0.91323%0.227SC*.THydrogen-bonded Turntrans70.4-7.2-175.6-52.5178.5178.4178.7-1.1116.5Y28Y28-R30 PolarHBondContact O-N 3.4Å
31L93.9Very high95.4Very high16 Ų1650.6 Ų50.68%0.08424%0.241CC..EExtended strand (participates in β ladder)trans-78.6132.2172.2-16970000109.9L5 Y27 Y28 K29 R54 A56L5-L31 HydrophobicContact CD1-CD2 3.61Å; L5-L31 HydrophobicContact CG-CD2 4.1Å; Y27-L31 WeakPolarHBondContact CA-O 3.38Å; Y28-L31 PolarHBondContact N-O 2.88Å; Y28-L31 WeakPolarHBondContact O-CB 3.35Å; Y28-L31 PolarHBondContact O-N 3.17Å; K29-L31 PolarHBondContact O-N 3.14Å; L31-R54 VanDerWaalsContact CD1-C 3.45Å; L31-A56 HydrophobicContact CD2-CB 4.31Å
32I95.5Very high95.7Very high55 Ų5546.8 Ų46.828%0.28222%0.221SC..EExtended strand (participates in β ladder)trans-75.2130.8175.3-61174.6000108.5I25 Y27 F34 F55 A56I25-I32 HydrophobicContact CG2-CG2 4.04Å; Y27-I32 HydrophobicContact CD1-CG1 4.1Å; Y27-I32 HydrophobicContact CE1-CD1 4.41Å; Y27-I32 HydrophobicContact CE1-CG1 3.72Å; I32-F34 HydrophobicContact CG2-CD1 4.41Å; I32-F34 HydrophobicContact CG2-CE1 3.88Å; I32-F34 HydrophobicContact CG2-CE2 4.12Å; I32-F34 HydrophobicContact CG2-CZ 3.72Å; I32-F55 HydrophobicContact CB-CB 4.47Å; I32-F55 CarbonylContact O-C 3.5Å; I32-F55 VanDerWaalsContact O-CA 3.26Å; I32-F55 WeakPolarHBondContact O-CA 3.32Å; I32-A56 PolarHBondContact O-N 2.99Å
33I97.5Very high95.9Very high0 Ų047.8 Ų47.80%023%0.226CC..EExtended strand (participates in β ladder)trans-120.8123.7174.3-52.8-175.5000108.9L5 L11 L13 A26 Y28 V35 I48 A56 A58L5-I33 HydrophobicContact CD1-CD1 3.83Å; L5-I33 HydrophobicContact CD1-CG1 4.35Å; L11-I33 HydrophobicContact CD1-CD1 3.87Å; L13-I33 HydrophobicContact CD1-CB 4.28Å; L13-I33 HydrophobicContact CD1-CD1 4Å; L13-I33 HydrophobicContact CD1-CG2 3.88Å; L13-I33 HydrophobicContact CD2-CD1 3.96Å; A26-I33 PolarHBondContact N-O 2.84Å; A26-I33 PolarHBondContact O-N 3.38Å; Y28-I33 HydrophobicContact CG-CD1 4.36Å; I33-V35 HydrophobicContact CG2-CG2 4.03Å; I33-I48 HydrophobicContact CD1-CD1 4.23Å; I33-I48 HydrophobicContact CG2-CD1 4.25Å; I33-A56 WeakPolarHBondContact CA-O 3.2Å; I33-A56 HydrophobicContact CG1-CB 4.29Å; I33-A58 HydrophobicContact CG2-CB 3.84Å
34F97.4Very high96Very high52 Ų5246.7 Ų46.723%0.22822%0.221CC..EExtended strand (participates in β ladder)trans-91.6126.7173.9-60.9-66.2000110E23 G24 I25 I32 F55 A56 E57 A58E23-F34 HydrophobicContact CG-CB 3.9Å; E23-F34 HydrophobicContact CG-CD1 3.57Å; E23-F34 HydrophobicContact CG-CG 4.1Å; G24-F34 CarbonylContact O-C 3.49Å; G24-F34 WeakPolarHBondContact O-CA 3.39Å; I25-F34 HydrophobicContact CD1-CD1 4.42Å; I25-F34 HydrophobicContact CD1-CE1 4.03Å; I25-F34 HydrophobicContact CG1-CD1 3.92Å; I25-F34 HydrophobicContact CG1-CE1 4Å; I32-F34 HydrophobicContact CG2-CD1 4.41Å; I32-F34 HydrophobicContact CG2-CE1 3.88Å; I32-F34 HydrophobicContact CG2-CE2 4.12Å; I32-F34 HydrophobicContact CG2-CZ 3.72Å; F34-F55 HydrophobicContact CD2-CB 4.25Å; F34-F55 AromaticContact CD2-CD2 3.76Å; F34-F55 HydrophobicContact CD2-CD2 3.76Å; F34-F55 HydrophobicContact CD2-CG 4.31Å; F34-F55 HydrophobicContact CE2-CB 3.69Å; F34-F55 AromaticContact CE2-CD2 3.69Å; F34-F55 HydrophobicContact CE2-CD2 3.69Å; F34-F55 AromaticContact CE2-CG 3.81Å; F34-F55 HydrophobicContact CE2-CG 3.81Å; F34-A56 PolarHBondContact N-O 2.94Å; F34-E57 CarbonylContact O-C 3.59Å; F34-A58 PolarHBondContact O-N 2.87Å
35V97.2Very high96Very high0 Ų048.7 Ų48.70%023%0.231CC..EExtended strand (participates in β ladder)trans-12899-175.9-167.20000109.5L13 I15 G24 I33 G37 A38 V44 A46 A58 L60L13-V35 HydrophobicContact CD1-CG2 3.96Å; I15-V35 HydrophobicContact CD1-CB 4.3Å; I15-V35 HydrophobicContact CD1-CG2 4.12Å; G24-V35 PolarHBondContact N-O 2.88Å; G24-V35 PolarHBondContact O-N 2.83Å; I33-V35 HydrophobicContact CG2-CG2 4.03Å; V35-G37 PolarHBondContact O-N 3.16Å; V35-A38 HydrophobicContact CB-CB 3.96Å; V35-A38 HydrophobicContact CG1-CB 3.78Å; V35-A38 PolarHBondContact O-N 3.19Å; V35-V44 HydrophobicContact CG1-CG2 4.5Å; V35-A46 HydrophobicContact CG1-CB 3.97Å; V35-A46 HydrophobicContact CG2-CB 4.33Å; V35-A58 WeakPolarHBondContact CA-O 3.48Å; V35-A58 HydrophobicContact CG2-CB 4.3Å; V35-L60 HydrophobicContact CG1-CB 4.23Å
36T92.5Very high96Very high107 Ų10748.2 Ų48.266%0.65623%0.229SC*.EExtended strand (participates in β ladder)trans-59.5134.4178.8-53.80000110.9A38T36-A38 VanDerWaalsContact C-N 3.3Å; T36-A38 PolarHBondContact O-N 3.49Å
37G94.7Very high96Very high17 Ų1753.7 Ų53.718%0.17525%0.249CC..THydrogen-bonded Turntrans79.13.1177.600000115.5V35 R70 H88V35-G37 PolarHBondContact O-N 3.16Å; G37-R70 PolarHBondContact O-NH1 3.27Å; G37-R70 PolarHBondContact O-NH2 3.33Å; G37-H88 PolarHBondContact O-NE2 3.38Å
38A97.6Very high96Very high0 Ų048.8 Ų48.80%023%0.23CC..  trans-97.8142.4176.600000111.7I15 L18 G24 V35 T36 V44I15-A38 HydrophobicContact CD1-CB 3.83Å; I15-A38 HydrophobicContact CG1-CB 3.81Å; L18-A38 WeakPolarHBondContact CD2-O 3.3Å; G24-A38 VanDerWaalsContact CA-O 3.3Å; G24-A38 WeakPolarHBondContact CA-O 3.34Å; G24-A38 PolarHBondContact N-O 2.99Å; V35-A38 HydrophobicContact CB-CB 3.96Å; V35-A38 HydrophobicContact CG1-CB 3.78Å; V35-A38 PolarHBondContact O-N 3.19Å; T36-A38 VanDerWaalsContact C-N 3.3Å; T36-A38 PolarHBondContact O-N 3.49Å; A38-V44 HydrophobicContact CB-CG1 4.27Å
39L98.3Very high96.1Very high0 Ų049.5 Ų49.50%024%0.241CC..  trans-111.7157.6-174.6-68.2175.8000112.8I15 L18 E42 R70 H88 L89I15-L39 WeakPolarHBondContact CB-O 3.45Å; I15-L39 VanDerWaalsContact CG2-O 3.23Å; I15-L39 WeakPolarHBondContact CG2-O 3.38Å; L18-L39 HydrophobicContact CD1-CD2 4.22Å; L18-L39 HydrophobicContact CD2-CD2 4.17Å; L39-E42 HydrophobicContact CB-CG 4.18Å; L39-E42 PolarHBondContact N-OE2 3.17Å; L39-E42 VanDerWaalsContact O-CB 3.28Å; L39-E42 WeakPolarHBondContact O-CB 3.42Å; L39-E42 VanDerWaalsContact O-CG 3.29Å; L39-E42 WeakPolarHBondContact O-CG 3.49Å; L39-E42 PolarHBondContact O-N 3.35Å; L39-R70 HydrophobicContact CD1-CB 3.76Å; L39-R70 HydrophobicContact CD1-CG 4.17Å; L39-H88 WeakPolarHBondContact CD1-O 3.33Å; L39-H88 WeakPolarHBondContact CD2-NE2 3.37Å; L39-H88 VanDerWaalsContact CG-CD2 3.48Å; L39-H88 WeakPolarHBondContact CG-CD2 3.33Å; L39-L89 HydrophobicContact CD1-CB 4.32Å; L39-L89 HydrophobicContact CD1-CD1 3.95Å; L39-L89 HydrophobicContact CD2-CB 4.03Å; L39-L89 HydrophobicContact CD2-CD1 4Å; L39-L89 HydrophobicContact CD2-CD2 4.25Å; L39-L89 HydrophobicContact CD2-CG 4.33Å
40P97.4Very high96.3Very high35 Ų3547.2 Ų47.223%0.22723%0.231CC..THydrogen-bonded Turntrans-54.4150.6172-22.934.8000111.7L18 E42 S67L18-P40 HydrophobicContact CD2-CG 4.48Å; L18-P40 HydrophobicContact CG-CG 3.93Å; P40-E42 PolarHBondContact O-N 3.18Å; P40-S67 WeakPolarHBondContact O-CB 3.48Å; P40-S67 PolarHBondContact O-OG 2.96Å
41N96.5Very high96.4Very high108 Ų10837.5 Ų37.558%0.57820%0.203SC*.THydrogen-bonded Turntrans68.73.1-176.1-56-44.3000115.6I15I15-N41 PolarHBondContact O-N 3.2Å
42E98.4Very high96.3Very high1 Ų138.5 Ų38.51%0.00521%0.21CC..  trans-83151172.3-62.6-167.1141.300113.2K14 I15 L39 P40 V44 K65 S67 R70K14-E42 WeakPolarHBondContact CA-O 3.12Å; I15-E42 HydrophobicContact CG1-CB 4.22Å; I15-E42 PolarHBondContact N-O 3.24Å; L39-E42 HydrophobicContact CB-CG 4.18Å; L39-E42 PolarHBondContact N-OE2 3.17Å; L39-E42 VanDerWaalsContact O-CB 3.28Å; L39-E42 WeakPolarHBondContact O-CB 3.42Å; L39-E42 VanDerWaalsContact O-CG 3.29Å; L39-E42 WeakPolarHBondContact O-CG 3.49Å; L39-E42 PolarHBondContact O-N 3.35Å; P40-E42 PolarHBondContact O-N 3.18Å; E42-V44 HydrophobicContact CB-CG1 3.91Å; E42-K65 WeakPolarHBondContact CA-O 3.44Å; E42-K65 WeakPolarHBondContact CB-O 3.12Å; E42-S67 PolarHBondContact OE1-N 3.49Å; E42-R70 VanDerWaalsContact CD-NH2 3.29Å; E42-R70 IonicContact OE1-CZ 3.38Å; E42-R70 IonicContact OE1-NE 2.71Å; E42-R70 PolarHBondContact OE1-NE 3.34Å; E42-R70 IonicContact OE1-NH2 3.17Å; E42-R70 PolarHBondContact OE1-NH2 3.46Å; E42-R70 IonicContact OE2-CZ 3.67Å; E42-R70 IonicContact OE2-NE 3.79Å; E42-R70 IonicContact OE2-NH2 2.71Å; E42-R70 PolarHBondContact OE2-NH2 3.06Å
43T98.5Very high96Very high24 Ų2441.8 Ų41.815%0.14723%0.234CC..EExtended strand (participates in β ladder)trans-111.4128.3157.3-54.50000107.5T12 L13 K14 T64 K65T12-T43 HydrophobicContact CG2-CG2 3.57Å; L13-T43 WeakPolarHBondContact O-CA 3.5Å; K14-T43 HydrophobicContact CG-CG2 4.38Å; T43-T64 WeakPolarHBondContact CB-OG1 3.49Å; T43-T64 WeakPolarHBondContact CG2-OG1 3.36Å; T43-T64 PolarHBondContact O-N 3.07Å; T43-T64 PolarHBondContact O-OG1 3.26Å; T43-K65 PolarHBondContact N-O 3.5Å; T43-K65 VanDerWaalsContact N-O 3.09Å; T43-K65 PolarHBondContact O-N 2.66Å
44V98.3Very high95.7Very high0 Ų052.2 Ų52.20%027%0.274CS..EExtended strand (participates in β ladder)trans-132.3149.4-173.3-570000111.1T12 L13 I15 V35 A38 E42 A46 L60 K62 I63T12-V44 CarbonylContact C-O 3.52Å; T12-V44 WeakPolarHBondContact CA-O 3.46Å; L13-V44 HydrophobicContact CB-CG2 4.17Å; L13-V44 PolarHBondContact N-O 2.7Å; L13-V44 PolarHBondContact O-N 2.71Å; I15-V44 HydrophobicContact CD1-CG2 3.76Å; I15-V44 HydrophobicContact CG1-CG1 4.34Å; I15-V44 HydrophobicContact CG1-CG2 4.15Å; V35-V44 HydrophobicContact CG1-CG2 4.5Å; A38-V44 HydrophobicContact CB-CG1 4.27Å; E42-V44 HydrophobicContact CB-CG1 3.91Å; V44-A46 HydrophobicContact CG2-CB 4.39Å; V44-L60 HydrophobicContact CB-CD1 3.48Å; V44-L60 VanDerWaalsContact CB-CD1 3.48Å; V44-L60 HydrophobicContact CG1-CD1 3.56Å; V44-L60 HydrophobicContact CG2-CD1 4.12Å; V44-K62 CarbonylContact C-O 3.53Å; V44-K62 WeakPolarHBondContact CA-O 3.43Å; V44-I63 HydrophobicContact CG1-CG1 4.2Å
45I98.2Very high95.5Very high43 Ų4352.8 Ų52.822%0.22128%0.276CS..EExtended strand (participates in β ladder)trans-90.9119.9161.6-61.2177.7000106.2T10 L11 V61 K62 T64T10-I45 HydrophobicContact CG2-CG2 3.18Å; L11-I45 WeakPolarHBondContact O-CA 3.27Å; I45-V61 HydrophobicContact CG2-CB 4.19Å; I45-V61 WeakPolarHBondContact O-CA 3.26Å; I45-V61 WeakPolarHBondContact O-CB 3.47Å; I45-V61 PolarHBondContact O-N 3.14Å; I45-K62 HydrophobicContact CB-CB 4.29Å; I45-K62 HydrophobicContact CD1-CB 4.46Å; I45-K62 PolarHBondContact N-O 3.14Å; I45-K62 PolarHBondContact O-N 2.87Å; I45-T64 HydrophobicContact CD1-CG2 3.97Å; I45-T64 HydrophobicContact CG1-CG2 3.93Å
46A97.8Very high95.5Very high0 Ų052.8 Ų52.80%028%0.276CS..EExtended strand (participates in β ladder)trans-125.8142.9-179.700000110.7T10 L11 L13 V35 V44 A58 R59T10-A46 CarbonylContact C-O 3.59Å; T10-A46 WeakPolarHBondContact CA-O 3.43Å; L11-A46 PolarHBondContact N-O 2.71Å; L11-A46 PolarHBondContact O-N 3.23Å; L13-A46 HydrophobicContact CD1-CB 3.91Å; V35-A46 HydrophobicContact CG1-CB 3.97Å; V35-A46 HydrophobicContact CG2-CB 4.33Å; V44-A46 HydrophobicContact CG2-CB 4.39Å; A46-A58 HydrophobicContact CB-CB 3.94Å; A46-R59 CarbonylContact C-O 3.57Å; A46-R59 VanDerWaalsContact CA-O 3.3Å; A46-R59 WeakPolarHBondContact CA-O 3.37Å
47R97.2Very high95.7Very high116 Ų11650.9 Ų50.944%0.43826%0.26SS..EExtended strand (participates in β ladder)trans-105.5123.3178-173.2-174.9-52.6160.37109.6Q9 T49 A58 R59 V61Q9-R47 WeakPolarHBondContact O-CA 3.29Å; R47-T49 PolarHBondContact O-N 3.06Å; R47-A58 CarbonylContact O-C 3.52Å; R47-A58 WeakPolarHBondContact O-CA 3.48Å; R47-A58 WeakPolarHBondContact O-CB 3.28Å; R47-R59 PolarHBondContact N-O 3.11Å; R47-R59 PolarHBondContact O-N 3.28Å; R47-V61 HydrophobicContact CB-CG2 3.76Å
48I96.8Very high95.7Very high0 Ų050.2 Ų50.20%025%0.253CS..EExtended strand (participates in β ladder)trans-62.6124.8178.8-56.5-50.9000109.8L5 N8 Q9 L11 I33 A51 A56 A58L5-I48 HydrophobicContact CD1-CD1 4.03Å; L5-I48 HydrophobicContact CD1-CG1 4.32Å; N8-I48 PolarHBondContact N-O 3.45Å; Q9-I48 HydrophobicContact CB-CG1 4.31Å; Q9-I48 WeakPolarHBondContact O-CG1 3.41Å; Q9-I48 PolarHBondContact O-N 3.26Å; L11-I48 HydrophobicContact CD1-CD1 4.05Å; L11-I48 HydrophobicContact CD1-CG1 4.38Å; I33-I48 HydrophobicContact CD1-CD1 4.23Å; I33-I48 HydrophobicContact CG2-CD1 4.25Å; I48-A51 HydrophobicContact CG2-CB 4.21Å; I48-A56 HydrophobicContact CD1-CB 4.46Å; I48-A56 HydrophobicContact CG2-CB 4.49Å; I48-A58 HydrophobicContact CD1-CB 3.88Å
49T94.7Very high95.6Very high78 Ų7859.3 Ų59.348%0.47929%0.287SS..EExtended strand (participates in β ladder)trans-99.2-33.3175.251.50000111.3R47 E57 R59R47-T49 PolarHBondContact O-N 3.06Å; T49-E57 PolarHBondContact N-O 2.86Å; T49-E57 PolarHBondContact OG1-O 3.43Å; T49-E57 VanDerWaalsContact OG1-O 3.11Å; T49-R59 HydrophobicContact CG2-CB 3.97Å
50K94Very high95.5Very high97 Ų9761.4 Ų61.442%0.42230%0.298SS..EExtended strand (participates in β ladder)trans-147.3138.5179.1-177.3-179.7167.6-163.60110T52 A56 E57K50-T52 HydrophobicContact CG-CG2 4.49Å; K50-A56 CarbonylContact O-C 3.41Å; K50-A56 VanDerWaalsContact O-CA 3.24Å; K50-A56 WeakPolarHBondContact O-CA 3.45Å; K50-A56 WeakPolarHBondContact O-CB 3.43Å; K50-E57 HydrophobicContact CB-CB 4.19Å; K50-E57 WeakPolarHBondContact CD-OE1 3.42Å; K50-E57 PolarHBondContact N-O 2.88Å; K50-E57 IonicContact NZ-OE1 2.84Å; K50-E57 PolarHBondContact NZ-OE1 2.84Å; K50-E57 PolarHBondContact O-N 3.29Å
51A92.9Very high95.4Very high38 Ų3863.1 Ų63.131%0.31431%0.308SS..EExtended strand (participates in β ladder)trans-127.7131.7176.700000109.7L5 I48L5-A51 HydrophobicContact CB-CB 4.09Å; L5-A51 WeakPolarHBondContact O-CB 3.21Å; I48-A51 HydrophobicContact CG2-CB 4.21Å
52T91.8Very high95.4Very high38 Ų3864.3 Ų64.323%0.23331%0.308CS..  trans-127.5168.4174.578.40000109.3K50 R54 F55K50-T52 HydrophobicContact CG-CG2 4.49Å; T52-R54 PolarHBondContact O-N 3.36Å; T52-R54 PolarHBondContact OG1-N 2.79Å; T52-F55 WeakPolarHBondContact CA-O 3.24Å; T52-F55 WeakPolarHBondContact CB-O 2.84Å; T52-F55 HydrophobicContact CG2-CE1 4.04Å; T52-F55 HydrophobicContact CG2-CE2 4.22Å; T52-F55 HydrophobicContact CG2-CZ 3.88Å; T52-F55 PolarHBondContact N-O 2.83Å; T52-F55 VanDerWaalsContact OG1-CD1 3.26Å; T52-F55 WeakPolarHBondContact OG1-CD1 3.46Å; T52-F55 WeakPolarHBondContact OG1-CE1 3.28Å; T52-F55 PolarHBondContact OG1-N 2.84Å; T52-F55 PolarHBondContact OG1-O 3.23Å
53P88.3Confident95.4Very high123 Ų12366.7 Ų66.780%0.79932%0.32SS*.SBendtrans-60.9-24.5176.4-25.835.7000114.7
54R91.2Very high95.4Very high219 Ų21969 Ų6983%0.82634%0.335SS*.SBendtrans-106.3-27.6-173.2-65.7-174.8179.7-176.60.4113.9L31 T52L31-R54 VanDerWaalsContact CD1-C 3.45Å; T52-R54 PolarHBondContact O-N 3.36Å; T52-R54 PolarHBondContact OG1-N 2.79Å
55F94Very high95.4Very high64 Ų6475.2 Ų75.228%0.28136%0.362SS..EExtended strand (participates in β ladder)trans-156.3165.9-179.369.6-86.7000111.7I32 F34 T52 E57I32-F55 HydrophobicContact CB-CB 4.47Å; I32-F55 CarbonylContact O-C 3.5Å; I32-F55 VanDerWaalsContact O-CA 3.26Å; I32-F55 WeakPolarHBondContact O-CA 3.32Å; F34-F55 HydrophobicContact CD2-CB 4.25Å; F34-F55 AromaticContact CD2-CD2 3.76Å; F34-F55 HydrophobicContact CD2-CD2 3.76Å; F34-F55 HydrophobicContact CD2-CG 4.31Å; F34-F55 HydrophobicContact CE2-CB 3.69Å; F34-F55 AromaticContact CE2-CD2 3.69Å; F34-F55 HydrophobicContact CE2-CD2 3.69Å; F34-F55 AromaticContact CE2-CG 3.81Å; F34-F55 HydrophobicContact CE2-CG 3.81Å; T52-F55 WeakPolarHBondContact CA-O 3.24Å; T52-F55 WeakPolarHBondContact CB-O 2.84Å; T52-F55 HydrophobicContact CG2-CE1 4.04Å; T52-F55 HydrophobicContact CG2-CE2 4.22Å; T52-F55 HydrophobicContact CG2-CZ 3.88Å; T52-F55 PolarHBondContact N-O 2.83Å; T52-F55 VanDerWaalsContact OG1-CD1 3.26Å; T52-F55 WeakPolarHBondContact OG1-CD1 3.46Å; T52-F55 WeakPolarHBondContact OG1-CE1 3.28Å; T52-F55 PolarHBondContact OG1-N 2.84Å; T52-F55 PolarHBondContact OG1-O 3.23Å; F55-E57 HydrophobicContact CD2-CG 4.35Å; F55-E57 HydrophobicContact CE2-CG 4.05Å; F55-E57 WeakPolarHBondContact CE2-OE1 3.47Å
56A96Very high95.3Very high0 Ų078.8 Ų78.80%038%0.376CS..EExtended strand (participates in β ladder)trans-128.5155.8166.900000111L5 L31 I32 I33 F34 I48 K50L5-A56 HydrophobicContact CD1-CB 3.89Å; L31-A56 HydrophobicContact CD2-CB 4.31Å; I32-A56 PolarHBondContact O-N 2.99Å; I33-A56 WeakPolarHBondContact CA-O 3.2Å; I33-A56 HydrophobicContact CG1-CB 4.29Å; F34-A56 PolarHBondContact N-O 2.94Å; I48-A56 HydrophobicContact CD1-CB 4.46Å; I48-A56 HydrophobicContact CG2-CB 4.49Å; K50-A56 CarbonylContact O-C 3.41Å; K50-A56 VanDerWaalsContact O-CA 3.24Å; K50-A56 WeakPolarHBondContact O-CA 3.45Å; K50-A56 WeakPolarHBondContact O-CB 3.43Å
57E96.2Very high95.3Very high67 Ų6779 Ų7931%0.31338%0.377SS..EExtended strand (participates in β ladder)trans-110.6143.3169.7-62.7162.4-152.700107.9F34 T49 K50 F55F34-E57 CarbonylContact O-C 3.59Å; T49-E57 PolarHBondContact N-O 2.86Å; T49-E57 PolarHBondContact OG1-O 3.43Å; T49-E57 VanDerWaalsContact OG1-O 3.11Å; K50-E57 HydrophobicContact CB-CB 4.19Å; K50-E57 WeakPolarHBondContact CD-OE1 3.42Å; K50-E57 PolarHBondContact N-O 2.88Å; K50-E57 IonicContact NZ-OE1 2.84Å; K50-E57 PolarHBondContact NZ-OE1 2.84Å; K50-E57 PolarHBondContact O-N 3.29Å; F55-E57 HydrophobicContact CD2-CG 4.35Å; F55-E57 HydrophobicContact CE2-CG 4.05Å; F55-E57 WeakPolarHBondContact CE2-OE1 3.47Å
58A96.1Very high95.4Very high4 Ų478.9 Ų78.93%0.03339%0.391CS..EExtended strand (participates in β ladder)trans-142.6147.3-179.200000111.5I33 F34 V35 A46 R47 I48I33-A58 HydrophobicContact CG2-CB 3.84Å; F34-A58 PolarHBondContact O-N 2.87Å; V35-A58 WeakPolarHBondContact CA-O 3.48Å; V35-A58 HydrophobicContact CG2-CB 4.3Å; A46-A58 HydrophobicContact CB-CB 3.94Å; R47-A58 CarbonylContact O-C 3.52Å; R47-A58 WeakPolarHBondContact O-CA 3.48Å; R47-A58 WeakPolarHBondContact O-CB 3.28Å; I48-A58 HydrophobicContact CD1-CB 3.88Å
59R94.4Very high95.4Very high190 Ų19080.9 Ų80.972%0.71740%0.402SS*.EExtended strand (participates in β ladder)trans-92.8133.6172.1-175.4176.7177.5173.12109.9A46 R47 T49 V61A46-R59 CarbonylContact C-O 3.57Å; A46-R59 VanDerWaalsContact CA-O 3.3Å; A46-R59 WeakPolarHBondContact CA-O 3.37Å; R47-R59 PolarHBondContact N-O 3.11Å; R47-R59 PolarHBondContact O-N 3.28Å; T49-R59 HydrophobicContact CG2-CB 3.97Å; R59-V61 PolarHBondContact O-N 3.32Å
60L96Very high95.6Very high44 Ų4478.7 Ų78.723%0.2339%0.385CS..EExtended strand (participates in β ladder)trans-61.3125.4170.4-179.761.5000110.2V35 V44 I63V35-L60 HydrophobicContact CG1-CB 4.23Å; V44-L60 HydrophobicContact CB-CD1 3.48Å; V44-L60 VanDerWaalsContact CB-CD1 3.48Å; V44-L60 HydrophobicContact CG1-CD1 3.56Å; V44-L60 HydrophobicContact CG2-CD1 4.12Å; L60-I63 HydrophobicContact CD1-CG1 4.04Å; L60-I63 HydrophobicContact CD2-CD1 4.14Å; L60-I63 HydrophobicContact CD2-CG1 3.96Å; L60-I63 HydrophobicContact CG-CG1 4.44Å
61V96.3Very high95.8Very high72 Ų7277.3 Ų77.344%0.43638%0.381SS..EExtended strand (participates in β ladder)trans-102.9-48.3176.3179.40000110.5I45 R47 R59I45-V61 HydrophobicContact CG2-CB 4.19Å; I45-V61 WeakPolarHBondContact O-CA 3.26Å; I45-V61 WeakPolarHBondContact O-CB 3.47Å; I45-V61 PolarHBondContact O-N 3.14Å; R47-V61 HydrophobicContact CB-CG2 3.76Å; R59-V61 PolarHBondContact O-N 3.32Å
62K97.2Very high96Very high133 Ų13381.2 Ų81.258%0.57840%0.401SS*.EExtended strand (participates in β ladder)trans-152.8139.7-178.5-177.2177179.9178.60110.4V44 I45V44-K62 CarbonylContact C-O 3.53Å; V44-K62 WeakPolarHBondContact CA-O 3.43Å; I45-K62 HydrophobicContact CB-CB 4.29Å; I45-K62 HydrophobicContact CD1-CB 4.46Å; I45-K62 PolarHBondContact N-O 3.14Å; I45-K62 PolarHBondContact O-N 2.87Å
63I97.9Very high96.2Very high51 Ų5180.6 Ų80.626%0.26240%0.398SS..EExtended strand (participates in β ladder)trans-90.6120.9169.1-57.3167.9000107.7V44 L60 K65 K66V44-I63 HydrophobicContact CG1-CG1 4.2Å; L60-I63 HydrophobicContact CD1-CG1 4.04Å; L60-I63 HydrophobicContact CD2-CD1 4.14Å; L60-I63 HydrophobicContact CD2-CG1 3.96Å; L60-I63 HydrophobicContact CG-CG1 4.44Å; I63-K65 WeakPolarHBondContact CG2-O 3.38Å; I63-K66 HydrophobicContact CG2-CB 4.16Å
64T97.6Very high96.6Very high73 Ų7378.1 Ų78.145%0.44838%0.382SS..EExtended strand (participates in β ladder)trans-98.4-26178.256.40000112.6T43 I45T43-T64 WeakPolarHBondContact CB-OG1 3.49Å; T43-T64 WeakPolarHBondContact CG2-OG1 3.36Å; T43-T64 PolarHBondContact O-N 3.07Å; T43-T64 PolarHBondContact O-OG1 3.26Å; I45-T64 HydrophobicContact CD1-CG2 3.97Å; I45-T64 HydrophobicContact CG1-CG2 3.93Å
65K98.1Very high96.8Very high130 Ų13068.4 Ų68.457%0.56535%0.347SS*.EExtended strand (participates in β ladder)trans-132.8114.3166-179.1-177177.8-178.20108.1E42 T43 I63E42-K65 WeakPolarHBondContact CA-O 3.44Å; E42-K65 WeakPolarHBondContact CB-O 3.12Å; T43-K65 PolarHBondContact N-O 3.5Å; T43-K65 VanDerWaalsContact N-O 3.09Å; T43-K65 PolarHBondContact O-N 2.66Å; I63-K65 WeakPolarHBondContact CG2-O 3.38Å
66K97.7Very high96.8Very high118 Ų11871.1 Ų71.151%0.51337%0.371SS..  trans-77.7143.4-179.4-166.6-178.9170.5-175.50110.6I63 R70I63-K66 HydrophobicContact CG2-CB 4.16Å; K66-R70 HydrophobicContact CD-CB 4.41Å; K66-R70 VanDerWaalsContact CE-CB 3.48Å; K66-R70 VanDerWaalsContact CE-CG 3.47Å; K66-R70 WeakPolarHBondContact CE-O 3.37Å; K66-R70 HydrophobicContact CG-CB 4.02Å; K66-R70 HydrophobicContact CG-CG 4.42Å; K66-R70 PolarHBondContact NZ-O 3.11Å
67S98Very high96.6Very high3 Ų372.6 Ų72.62%0.02138%0.38CS..  trans-69.9139.7169.8176.80000109.2P40 E42 D69 R70P40-S67 WeakPolarHBondContact O-CB 3.48Å; P40-S67 PolarHBondContact O-OG 2.96Å; E42-S67 PolarHBondContact OE1-N 3.49Å; S67-D69 PolarHBondContact O-N 2.8Å; S67-D69 PolarHBondContact OG-N 3.43Å; S67-R70 PolarHBondContact O-N 3.38Å; S67-R70 VanDerWaalsContact O-N 3.16Å
68P97.7Very high96.5Very high115 Ų11570.5 Ų70.575%0.74737%0.37SS*.THydrogen-bonded Turntrans-59.4-24.2171.427.1-35.6000112.2R70P68-R70 VanDerWaalsContact C-N 3.32Å; P68-R70 PolarHBondContact O-N 2.89Å
69D98.1Very high96.3Very high42 Ų4277.7 Ų77.723%0.22540%0.403CS..THydrogen-bonded Turntrans-85.7-2-177.9-55.3-48.7000113.3S67 L89 V90 K93S67-D69 PolarHBondContact O-N 2.8Å; S67-D69 PolarHBondContact OG-N 3.43Å; D69-L89 HydrophobicContact CB-CD1 3.8Å; D69-V90 HydrophobicContact CB-CG1 3.99Å; D69-V90 PolarHBondContact O-N 3.32Å; D69-K93 HydrophobicContact CB-CB 4.36Å; D69-K93 HydrophobicContact CB-CG 3.89Å
70R98.3Very high96.2Very high31 Ų3173.8 Ų73.812%0.11739%0.393CS..BIsolated β-bridgetrans-82.1121.7-179.7179.4178.4-67.3-90.50.6111.7G37 L39 E42 K66 S67 P68 H88G37-R70 PolarHBondContact O-NH1 3.27Å; G37-R70 PolarHBondContact O-NH2 3.33Å; L39-R70 HydrophobicContact CD1-CB 3.76Å; L39-R70 HydrophobicContact CD1-CG 4.17Å; E42-R70 VanDerWaalsContact CD-NH2 3.29Å; E42-R70 IonicContact OE1-CZ 3.38Å; E42-R70 IonicContact OE1-NE 2.71Å; E42-R70 PolarHBondContact OE1-NE 3.34Å; E42-R70 IonicContact OE1-NH2 3.17Å; E42-R70 PolarHBondContact OE1-NH2 3.46Å; E42-R70 IonicContact OE2-CZ 3.67Å; E42-R70 IonicContact OE2-NE 3.79Å; E42-R70 IonicContact OE2-NH2 2.71Å; E42-R70 PolarHBondContact OE2-NH2 3.06Å; K66-R70 HydrophobicContact CD-CB 4.41Å; K66-R70 VanDerWaalsContact CE-CB 3.48Å; K66-R70 VanDerWaalsContact CE-CG 3.47Å; K66-R70 WeakPolarHBondContact CE-O 3.37Å; K66-R70 HydrophobicContact CG-CB 4.02Å; K66-R70 HydrophobicContact CG-CG 4.42Å; K66-R70 PolarHBondContact NZ-O 3.11Å; S67-R70 PolarHBondContact O-N 3.38Å; S67-R70 VanDerWaalsContact O-N 3.16Å; P68-R70 VanDerWaalsContact C-N 3.32Å; P68-R70 PolarHBondContact O-N 2.89Å; R70-H88 VanDerWaalsContact CA-O 3.27Å; R70-H88 WeakPolarHBondContact CA-O 3.4Å; R70-H88 WeakPolarHBondContact CG-O 3.28Å; R70-H88 PolarHBondContact NH1-CD2 3.15Å
71I97.8Very high96Very high68 Ų6872.6 Ų72.635%0.34939%0.388SS..  trans-106.7166.7170.563.5170.6000111.3P73 Q87 H88 V90I71-P73 WeakPolarHBondContact O-CD 3.36Å; I71-Q87 WeakPolarHBondContact CD1-O 3.39Å; I71-Q87 WeakPolarHBondContact CG1-O 3.35Å; I71-H88 PolarHBondContact N-O 3.03Å; I71-V90 HydrophobicContact CG2-CB 4.11Å
72T96.9Very high95.7Very high120 Ų12070.6 Ų70.674%0.73638%0.382SS*.  trans-79.2123.2167.6-58.10000108.2
73P96.8Very high95.4Very high26 Ų2665.1 Ų65.117%0.16936%0.363CS..  trans-54.5130174.2-27.135.7000111.4I71 C75 Y78 Q87 H88I71-P73 WeakPolarHBondContact O-CD 3.36Å; P73-C75 VanDerWaalsContact C-N 3.31Å; P73-C75 PolarHBondContact O-N 2.92Å; P73-Y78 HydrophobicContact CB-CD1 3.5Å; P73-Y78 VanDerWaalsContact CB-CD1 3.5Å; P73-Y78 HydrophobicContact CB-CD2 4.26Å; P73-Y78 HydrophobicContact CB-CE1 4.19Å; P73-Y78 HydrophobicContact CB-CG 3.54Å; P73-Y78 HydrophobicContact CG-CD1 3.27Å; P73-Y78 HydrophobicContact CG-CE1 3.61Å; P73-Y78 HydrophobicContact CG-CG 3.88Å; P73-Q87 HydrophobicContact CB-CB 3.82Å; P73-Q87 HydrophobicContact CG-CB 4.37Å; P73-H88 HydrophobicContact CG-CB 3.83Å
74P95.7Very high95.3Very high70 Ų7063.4 Ų63.446%0.45536%0.356SS..SBendtrans-74.1-22.1179.528.5-34000112.9W129 L167P74-W129 HydrophobicContact CG-CH2 3.41Å; P74-W129 VanDerWaalsContact CG-CH2 3.41Å; P74-W129 HydrophobicContact CG-CZ2 3.62Å; P74-W129 HydrophobicContact CG-CZ3 4.27Å; P74-L167 HydrophobicContact CB-CD1 3.78Å; P74-L167 HydrophobicContact CG-CD1 3.8Å
75C95.7Very high95.1Very high15 Ų1562.6 Ų62.610%0.10135%0.347CS..SBendtrans-79.1125.9179.9-1780000111.5P73 V77 Y78 L167P73-C75 VanDerWaalsContact C-N 3.31Å; P73-C75 PolarHBondContact O-N 2.92Å; C75-V77 PolarHBondContact O-N 3.35Å; C75-Y78 VanDerWaalsContact O-CB 3.26Å; C75-Y78 WeakPolarHBondContact O-CB 3.23Å; C75-Y78 PolarHBondContact O-N 3.16Å; C75-L167 HydrophobicContact CB-CD1 4.05Å
76P93.7Very high95.1Very high121 Ų12156.4 Ų56.479%0.78632%0.32SS*.THydrogen-bonded Turntrans-67.7-21.3-174.726.1-35.3000114.1
77V93.6Very high95.1Very high31 Ų3151 Ų5119%0.18830%0.296CS..THydrogen-bonded Turntrans-105.813.2179.9-61.90000112.7C75 E79 E80 C81 V161 I163C75-V77 PolarHBondContact O-N 3.35Å; V77-E79 VanDerWaalsContact C-N 3.29Å; V77-E79 PolarHBondContact O-N 2.91Å; V77-E80 PolarHBondContact O-N 2.87Å; V77-C81 HydrophobicContact CG2-CB 4.13Å; V77-C81 VanDerWaalsContact O-CB 3.28Å; V77-C81 WeakPolarHBondContact O-CB 3.38Å; V77-C81 PolarHBondContact O-N 2.97Å; V77-V161 HydrophobicContact CB-CG1 3.96Å; V77-V161 HydrophobicContact CG1-CG1 4.13Å; V77-V161 HydrophobicContact CG2-CG1 4.45Å; V77-I163 HydrophobicContact CG2-CG1 4.28Å
78Y94.1Very high95.1Very high24 Ų2451 Ų519%0.09430%0.296CS..THydrogen-bonded Turntrans-55.1-41.3-174174.6-102.3000113.6P73 C75 E80 C84 Q85 Q87 H88P73-Y78 HydrophobicContact CB-CD1 3.5Å; P73-Y78 VanDerWaalsContact CB-CD1 3.5Å; P73-Y78 HydrophobicContact CB-CD2 4.26Å; P73-Y78 HydrophobicContact CB-CE1 4.19Å; P73-Y78 HydrophobicContact CB-CG 3.54Å; P73-Y78 HydrophobicContact CG-CD1 3.27Å; P73-Y78 HydrophobicContact CG-CE1 3.61Å; P73-Y78 HydrophobicContact CG-CG 3.88Å; C75-Y78 VanDerWaalsContact O-CB 3.26Å; C75-Y78 WeakPolarHBondContact O-CB 3.23Å; C75-Y78 PolarHBondContact O-N 3.16Å; Y78-E80 VanDerWaalsContact C-N 3.25Å; Y78-E80 PolarHBondContact O-N 2.86Å; Y78-C84 HydrophobicContact CD2-CB 4.19Å; Y78-C84 HydrophobicContact CE2-CB 4Å; Y78-Q85 PolarHBondContact OH-O 3.19Å; Y78-Q87 HydrophobicContact CD2-CB 3.61Å; Y78-Q87 HydrophobicContact CD2-CG 3.73Å; Y78-Q87 HydrophobicContact CE2-CB 3.5Å; Y78-Q87 HydrophobicContact CE2-CG 3.76Å; Y78-Q87 HydrophobicContact CG-CB 4.25Å; Y78-H88 HydrophobicContact CE1-CB 4.33Å; Y78-H88 AromaticContact CE1-ND1 3.83Å; Y78-H88 AromaticContact CZ-ND1 3.57Å; Y78-H88 PolarHBondContact OH-CE1 3.27Å; Y78-H88 PolarHBondContact OH-ND1 3.09Å
79E91.2Very high95.1Very high155 Ų15545.7 Ų45.772%0.72426%0.261SS*.THydrogen-bonded Turntrans-71.5-19.2-178.3-62.5-64.2155.500113.3V77V77-E79 VanDerWaalsContact C-N 3.29Å; V77-E79 PolarHBondContact O-N 2.91Å
80E92.1Very high95.1Very high108 Ų10846 Ų4651%0.50526%0.264SS..THydrogen-bonded Turntrans-103.4-39.1-177.9-62.8-178-150.200112.2V77 Y78 Q154 V161V77-E80 PolarHBondContact O-N 2.87Å; Y78-E80 VanDerWaalsContact C-N 3.25Å; Y78-E80 PolarHBondContact O-N 2.86Å; E80-Q154 WeakPolarHBondContact O-CA 3.13Å; E80-Q154 WeakPolarHBondContact O-CG 3.3Å; E80-V161 HydrophobicContact CB-CG1 4.3Å; E80-V161 HydrophobicContact CB-CG2 4.04Å
81C92.4Very high95.1Very high18 Ų1846.4 Ų46.412%0.12227%0.266CS..BIsolated β-bridgetrans-77129.6-173.6-176.80000112V77 G83V77-C81 HydrophobicContact CG2-CB 4.13Å; V77-C81 VanDerWaalsContact O-CB 3.28Å; V77-C81 WeakPolarHBondContact O-CB 3.38Å; V77-C81 PolarHBondContact O-N 2.97Å; C81-G83 PolarHBondContact O-N 3.42Å; C81-G83 VanDerWaalsContact O-N 3.15Å; C81-G83 PolarHBondContact SG-N 3.41Å; C81-G83 VanDerWaalsContact SG-N 3.43Å
82G88.4Confident95.1Very high31 Ų3146.5 Ų46.532%0.3227%0.273SS..THydrogen-bonded Turntrans-73.93175.800000115.6Q85 Y153G82-Q85 PolarHBondContact O-NE2 2.8Å; G82-Y153 PolarHBondContact N-O 2.89Å
83G91.5Very high95.2Very high17 Ų1744.2 Ų44.218%0.17525%0.253CS..THydrogen-bonded Turntrans-78.7-31.5-168.400000116C81C81-G83 PolarHBondContact O-N 3.42Å; C81-G83 VanDerWaalsContact O-N 3.15Å; C81-G83 PolarHBondContact SG-N 3.41Å; C81-G83 VanDerWaalsContact SG-N 3.43Å
84C95.1Very high95.3Very high16 Ų1643 Ų4311%0.10825%0.245CC..  trans-126.8147.9-179.5-64.10000110Y78 Q87 Q444Y78-C84 HydrophobicContact CD2-CB 4.19Å; Y78-C84 HydrophobicContact CE2-CB 4Å; C84-Q87 HydrophobicContact CB-CG 4.05Å; C84-Q87 PolarHBondContact SG-NE2 2.97Å; C84-Q87 VanDerWaalsContact SG-NE2 3.42Å; C84-Q444 HydrophobicContact CB-CB 4.26Å
85Q95.4Very high95.4Very high56 Ų5641.2 Ų41.226%0.26223%0.231SC..SBendtrans-124.6-11.8-176.2-60.578.542.900113.4Y78 G82 H88 Q444Y78-Q85 PolarHBondContact OH-O 3.19Å; G82-Q85 PolarHBondContact O-NE2 2.8Å; Q85-H88 PolarHBondContact O-CE1 3.03Å; Q85-Q444 PolarHBondContact N-O 2.92Å
86L97.5Very high95.5Very high0 Ų044.1 Ų44.10%025%0.246CC..  trans-125.16.2-170.1-60.7-175.5000115.3L18 H88 L89 Q94 F97 Q444 T445L18-L86 HydrophobicContact CD1-CD2 4.35Å; L86-H88 PolarHBondContact O-N 2.64Å; L86-L89 WeakPolarHBondContact O-CB 3.26Å; L86-L89 PolarHBondContact O-N 3.23Å; L86-Q94 HydrophobicContact CB-CG 4.02Å; L86-Q94 HydrophobicContact CD1-CB 4.13Å; L86-Q94 HydrophobicContact CD1-CG 4.14Å; L86-Q94 PolarHBondContact O-NE2 3.43Å; L86-Q94 VanDerWaalsContact O-NE2 3.1Å; L86-F97 HydrophobicContact CD1-CD1 3.59Å; L86-F97 HydrophobicContact CD1-CE1 3.74Å; L86-F97 HydrophobicContact CD2-CD1 4.3Å; L86-F97 HydrophobicContact CD2-CE1 4.14Å; L86-Q444 PolarHBondContact N-O 3.28Å; L86-T445 WeakPolarHBondContact CD1-O 3.43Å
87Q97.7Very high95.7Very high4 Ų438.9 Ų38.92%0.01921%0.211CC..THydrogen-bonded Turntrans-61.6-16.8-176.6-67-171.215.200114.3I71 P73 Y78 C84 L89 W129 Q444I71-Q87 WeakPolarHBondContact CD1-O 3.39Å; I71-Q87 WeakPolarHBondContact CG1-O 3.35Å; P73-Q87 HydrophobicContact CB-CB 3.82Å; P73-Q87 HydrophobicContact CG-CB 4.37Å; Y78-Q87 HydrophobicContact CD2-CB 3.61Å; Y78-Q87 HydrophobicContact CD2-CG 3.73Å; Y78-Q87 HydrophobicContact CE2-CB 3.5Å; Y78-Q87 HydrophobicContact CE2-CG 3.76Å; Y78-Q87 HydrophobicContact CG-CB 4.25Å; C84-Q87 HydrophobicContact CB-CG 4.05Å; C84-Q87 PolarHBondContact SG-NE2 2.97Å; C84-Q87 VanDerWaalsContact SG-NE2 3.42Å; Q87-L89 VanDerWaalsContact C-N 3.28Å; Q87-W129 HydrophobicContact CG-CH2 4.15Å; Q87-W129 HydrophobicContact CG-CZ3 4.48Å; Q87-Q444 HydrophobicContact CG-CB 3.72Å; Q87-Q444 HydrophobicContact CG-CG 4.1Å
88H97.6Very high95.9Very high2 Ų237.4 Ų37.41%0.00920%0.202CC..THydrogen-bonded Turntrans-83.7-1.8175.262.7-74.9000113.3G37 L39 R70 I71 P73 Y78 Q85 L86G37-H88 PolarHBondContact O-NE2 3.38Å; L39-H88 WeakPolarHBondContact CD1-O 3.33Å; L39-H88 WeakPolarHBondContact CD2-NE2 3.37Å; L39-H88 VanDerWaalsContact CG-CD2 3.48Å; L39-H88 WeakPolarHBondContact CG-CD2 3.33Å; R70-H88 VanDerWaalsContact CA-O 3.27Å; R70-H88 WeakPolarHBondContact CA-O 3.4Å; R70-H88 WeakPolarHBondContact CG-O 3.28Å; R70-H88 PolarHBondContact NH1-CD2 3.15Å; I71-H88 PolarHBondContact N-O 3.03Å; P73-H88 HydrophobicContact CG-CB 3.83Å; Y78-H88 HydrophobicContact CE1-CB 4.33Å; Y78-H88 AromaticContact CE1-ND1 3.83Å; Y78-H88 AromaticContact CZ-ND1 3.57Å; Y78-H88 PolarHBondContact OH-CE1 3.27Å; Y78-H88 PolarHBondContact OH-ND1 3.09Å; Q85-H88 PolarHBondContact O-CE1 3.03Å; L86-H88 PolarHBondContact O-N 2.64Å
89L98.1Very high96Very high5 Ų538.9 Ų38.93%0.02621%0.208CC..BIsolated β-bridgetrans-109.3129.6176.6-176.757.9000109.3L18 L39 D69 L86 Q87 Y91 K93 Q94L18-L89 HydrophobicContact CD1-CD2 4.01Å; L39-L89 HydrophobicContact CD1-CB 4.32Å; L39-L89 HydrophobicContact CD1-CD1 3.95Å; L39-L89 HydrophobicContact CD2-CB 4.03Å; L39-L89 HydrophobicContact CD2-CD1 4Å; L39-L89 HydrophobicContact CD2-CD2 4.25Å; L39-L89 HydrophobicContact CD2-CG 4.33Å; D69-L89 HydrophobicContact CB-CD1 3.8Å; L86-L89 WeakPolarHBondContact O-CB 3.26Å; L86-L89 PolarHBondContact O-N 3.23Å; Q87-L89 VanDerWaalsContact C-N 3.28Å; L89-Y91 PolarHBondContact O-N 3.17Å; L89-K93 HydrophobicContact CD1-CB 3.59Å; L89-K93 HydrophobicContact CD2-CB 4.23Å; L89-K93 HydrophobicContact CG-CB 3.83Å; L89-Q94 HydrophobicContact CB-CG 4.09Å; L89-Q94 HydrophobicContact CD2-CG 4.07Å; L89-Q94 HydrophobicContact CG-CG 4.05Å; L89-Q94 PolarHBondContact O-NE2 3.38Å
90V98Very high96.3Very high47 Ų4733.4 Ų33.429%0.28518%0.184SC..  trans-54.3139.317568.20000110.7D69 I71 S92 K93 Q94D69-V90 HydrophobicContact CB-CG1 3.99Å; D69-V90 PolarHBondContact O-N 3.32Å; I71-V90 HydrophobicContact CG2-CB 4.11Å; V90-S92 VanDerWaalsContact C-N 3.35Å; V90-S92 PolarHBondContact O-N 3.15Å; V90-K93 HydrophobicContact CG1-CB 3.81Å; V90-K93 HydrophobicContact CG1-CG 3.48Å; V90-K93 VanDerWaalsContact CG1-CG 3.48Å; V90-K93 WeakPolarHBondContact O-CA 3.44Å; V90-K93 WeakPolarHBondContact O-CB 3.43Å; V90-K93 PolarHBondContact O-N 3.37Å; V90-Q94 PolarHBondContact O-N 3.32Å
91Y98.4Very high96.4Very high41 Ų4128.7 Ų28.716%0.16116%0.162CC..Hα-helixtrans-58.2-41.7-165.5-173.8-120.6000114L89 K93 Q94 L95 G124 M125 P128 D440 P443L89-Y91 PolarHBondContact O-N 3.17Å; Y91-K93 PolarHBondContact O-N 2.79Å; Y91-K93 VanDerWaalsContact O-N 3.14Å; Y91-Q94 HydrophobicContact CD2-CB 4.32Å; Y91-Q94 HydrophobicContact CD2-CG 4.43Å; Y91-Q94 WeakPolarHBondContact O-CA 3.29Å; Y91-Q94 VanDerWaalsContact O-CB 3.26Å; Y91-Q94 WeakPolarHBondContact O-CB 3.42Å; Y91-Q94 PolarHBondContact O-N 3.42Å; Y91-L95 HydrophobicContact CE1-CD1 4.23Å; Y91-L95 HydrophobicContact CE1-CD2 4.34Å; Y91-L95 HydrophobicContact CE1-CG 4.41Å; Y91-L95 HydrophobicContact CE2-CD2 4.3Å; Y91-L95 PolarHBondContact O-N 2.74Å; Y91-G124 WeakPolarHBondContact OH-CA 3.4Å; Y91-M125 VanDerWaalsContact CE1-O 3.27Å; Y91-M125 WeakPolarHBondContact CE1-O 3.46Å; Y91-M125 PolarHBondContact OH-N 3.01Å; Y91-P128 HydrophobicContact CD1-CB 4.17Å; Y91-P128 HydrophobicContact CD1-CG 3.91Å; Y91-P128 HydrophobicContact CD2-CB 3.86Å; Y91-P128 HydrophobicContact CD2-CG 4.03Å; Y91-P128 HydrophobicContact CE1-CB 3.86Å; Y91-P128 HydrophobicContact CE1-CG 4.07Å; Y91-P128 HydrophobicContact CE2-CB 3.57Å; Y91-P128 HydrophobicContact CE2-CG 4.22Å; Y91-P128 HydrophobicContact CG-CB 4.18Å; Y91-P128 HydrophobicContact CG-CG 3.9Å; Y91-D440 WeakPolarHBondContact CE2-OD2 3.35Å; Y91-D440 PolarHBondContact OH-OD2 3.25Å; Y91-P443 HydrophobicContact CE2-CB 3.84Å; Y91-P443 HydrophobicContact CE2-CG 4.45Å
92S97.9Very high96.6Very high69 Ų6927.9 Ų27.948%0.48316%0.157SC..Hα-helixtrans-55-34.7175.155.10000112.9V90 L95 D96V90-S92 VanDerWaalsContact C-N 3.35Å; V90-S92 PolarHBondContact O-N 3.15Å; S92-L95 WeakPolarHBondContact O-CB 3.35Å; S92-L95 PolarHBondContact O-N 2.86Å; S92-D96 PolarHBondContact O-N 2.91Å; S92-D96 VanDerWaalsContact O-N 3.17Å
93K98Very high97Very high73 Ų7330.6 Ų30.632%0.31716%0.157SC..Hα-helixtrans-81.6-19.2177.1-62.6-70.9168.8-156.10113.6D69 L89 V90 Y91 L95 D96 F97D69-K93 HydrophobicContact CB-CB 4.36Å; D69-K93 HydrophobicContact CB-CG 3.89Å; L89-K93 HydrophobicContact CD1-CB 3.59Å; L89-K93 HydrophobicContact CD2-CB 4.23Å; L89-K93 HydrophobicContact CG-CB 3.83Å; V90-K93 HydrophobicContact CG1-CB 3.81Å; V90-K93 HydrophobicContact CG1-CG 3.48Å; V90-K93 VanDerWaalsContact CG1-CG 3.48Å; V90-K93 WeakPolarHBondContact O-CA 3.44Å; V90-K93 WeakPolarHBondContact O-CB 3.43Å; V90-K93 PolarHBondContact O-N 3.37Å; Y91-K93 PolarHBondContact O-N 2.79Å; Y91-K93 VanDerWaalsContact O-N 3.14Å; K93-L95 VanDerWaalsContact C-N 3.33Å; K93-D96 WeakPolarHBondContact CD-OD2 3.26Å; K93-D96 IonicContact NZ-OD2 3.82Å; K93-D96 PolarHBondContact NZ-OD2 3.17Å; K93-F97 VanDerWaalsContact O-CB 3.31Å; K93-F97 WeakPolarHBondContact O-CB 3.47Å; K93-F97 PolarHBondContact O-N 2.94Å
94Q98.4Very high97.2Very high1 Ų131.2 Ų31.21%0.00516%0.156CC..Hα-helixtrans-66.9-38.8166.5-55.7-177.224.200110.9L86 L89 V90 Y91 F97 K98L86-Q94 HydrophobicContact CB-CG 4.02Å; L86-Q94 HydrophobicContact CD1-CB 4.13Å; L86-Q94 HydrophobicContact CD1-CG 4.14Å; L86-Q94 PolarHBondContact O-NE2 3.43Å; L86-Q94 VanDerWaalsContact O-NE2 3.1Å; L89-Q94 HydrophobicContact CB-CG 4.09Å; L89-Q94 HydrophobicContact CD2-CG 4.07Å; L89-Q94 HydrophobicContact CG-CG 4.05Å; L89-Q94 PolarHBondContact O-NE2 3.38Å; V90-Q94 PolarHBondContact O-N 3.32Å; Y91-Q94 HydrophobicContact CD2-CB 4.32Å; Y91-Q94 HydrophobicContact CD2-CG 4.43Å; Y91-Q94 WeakPolarHBondContact O-CA 3.29Å; Y91-Q94 VanDerWaalsContact O-CB 3.26Å; Y91-Q94 WeakPolarHBondContact O-CB 3.42Å; Y91-Q94 PolarHBondContact O-N 3.42Å; Q94-F97 WeakPolarHBondContact O-CB 3.36Å; Q94-F97 PolarHBondContact O-N 3.32Å; Q94-K98 WeakPolarHBondContact O-CG 3.33Å; Q94-K98 PolarHBondContact O-N 2.84Å
95L98.5Very high97.3Very high32 Ų3230.7 Ų30.717%0.16815%0.153CC..Hα-helixtrans-65.3-48175.1-56.9-177.7000111Y91 S92 K93 F97 K98 K99 T122 D440Y91-L95 HydrophobicContact CE1-CD1 4.23Å; Y91-L95 HydrophobicContact CE1-CD2 4.34Å; Y91-L95 HydrophobicContact CE1-CG 4.41Å; Y91-L95 HydrophobicContact CE2-CD2 4.3Å; Y91-L95 PolarHBondContact O-N 2.74Å; S92-L95 WeakPolarHBondContact O-CB 3.35Å; S92-L95 PolarHBondContact O-N 2.86Å; K93-L95 VanDerWaalsContact C-N 3.33Å; L95-F97 VanDerWaalsContact C-N 3.25Å; L95-F97 PolarHBondContact O-N 2.95Å; L95-K98 PolarHBondContact O-N 3.24Å; L95-K98 VanDerWaalsContact O-N 3.1Å; L95-K99 PolarHBondContact O-N 3.35Å; L95-K99 VanDerWaalsContact O-N 3.11Å; L95-T122 HydrophobicContact CD2-CG2 3.99Å; L95-T122 PolarHBondContact O-OG1 3.45Å; L95-T122 VanDerWaalsContact O-OG1 3.08Å; L95-D440 HydrophobicContact CD2-CB 3.94Å
96D97.8Very high97.5Very high76 Ų7628.1 Ų28.141%0.40614%0.141SC..Hα-helixtrans-54.9-43.5173.7-72.1-13.7000111.5S92 K93 K99 D100S92-D96 PolarHBondContact O-N 2.91Å; S92-D96 VanDerWaalsContact O-N 3.17Å; K93-D96 WeakPolarHBondContact CD-OD2 3.26Å; K93-D96 IonicContact NZ-OD2 3.82Å; K93-D96 PolarHBondContact NZ-OD2 3.17Å; D96-K99 PolarHBondContact O-N 2.86Å; D96-D100 WeakPolarHBondContact O-CB 3.39Å; D96-D100 PolarHBondContact O-N 2.74Å
97F97.6Very high97.4Very high11 Ų1131.7 Ų31.75%0.04816%0.158CC..Hα-helixtrans-62.3-41.3176.8162.3-112.2000113.1L18 G19 L86 K93 Q94 L95 D100 L101 A446L18-F97 HydrophobicContact CB-CD2 3.47Å; L18-F97 VanDerWaalsContact CB-CD2 3.47Å; L18-F97 HydrophobicContact CB-CE2 3.2Å; L18-F97 HydrophobicContact CB-CG 4.45Å; L18-F97 HydrophobicContact CB-CZ 4.03Å; L18-F97 HydrophobicContact CD1-CB 4.31Å; L18-F97 HydrophobicContact CD1-CD1 4.38Å; L18-F97 HydrophobicContact CD1-CD2 3.67Å; L18-F97 HydrophobicContact CD1-CE2 4.02Å; L18-F97 HydrophobicContact CD1-CG 3.84Å; L18-F97 HydrophobicContact CD1-CZ 4.48Å; L18-F97 HydrophobicContact CG-CD2 4.14Å; L18-F97 HydrophobicContact CG-CE2 4.23Å; G19-F97 WeakPolarHBondContact O-CE2 3.24Å; G19-F97 VanDerWaalsContact O-CZ 3.24Å; G19-F97 WeakPolarHBondContact O-CZ 3.44Å; L86-F97 HydrophobicContact CD1-CD1 3.59Å; L86-F97 HydrophobicContact CD1-CE1 3.74Å; L86-F97 HydrophobicContact CD2-CD1 4.3Å; L86-F97 HydrophobicContact CD2-CE1 4.14Å; K93-F97 VanDerWaalsContact O-CB 3.31Å; K93-F97 WeakPolarHBondContact O-CB 3.47Å; K93-F97 PolarHBondContact O-N 2.94Å; Q94-F97 WeakPolarHBondContact O-CB 3.36Å; Q94-F97 PolarHBondContact O-N 3.32Å; L95-F97 VanDerWaalsContact C-N 3.25Å; L95-F97 PolarHBondContact O-N 2.95Å; F97-D100 CarbonylContact O-C 3.54Å; F97-D100 WeakPolarHBondContact O-CA 3.27Å; F97-D100 WeakPolarHBondContact O-CB 3.47Å; F97-D100 PolarHBondContact O-N 2.96Å; F97-D100 VanDerWaalsContact O-N 3.11Å; F97-L101 HydrophobicContact CD2-CD2 4.37Å; F97-L101 HydrophobicContact CD2-CG 4.1Å; F97-L101 HydrophobicContact CE1-CD1 3.75Å; F97-L101 HydrophobicContact CE1-CG 4.17Å; F97-L101 HydrophobicContact CE2-CD1 3.94Å; F97-L101 HydrophobicContact CE2-CD2 3.45Å; F97-L101 VanDerWaalsContact CE2-CD2 3.45Å; F97-L101 HydrophobicContact CE2-CG 3.49Å; F97-L101 VanDerWaalsContact CE2-CG 3.49Å; F97-L101 HydrophobicContact CZ-CD1 3.44Å; F97-L101 VanDerWaalsContact CZ-CD1 3.44Å; F97-L101 HydrophobicContact CZ-CD2 3.7Å; F97-L101 HydrophobicContact CZ-CG 3.57Å; F97-L101 PolarHBondContact O-N 2.75Å; F97-A446 HydrophobicContact CE1-CB 3.99Å; F97-A446 HydrophobicContact CZ-CB 4.28Å
98K97.8Very high97.4Very high0 Ų038.2 Ų38.20%019%0.186CC..Hα-helixtrans-65.1-41.6179.5-75.5166.7-176.5-178.30111.6Q94 L95 D100 L101 L102 T122 D440 F442 T445 R447 C448Q94-K98 WeakPolarHBondContact O-CG 3.33Å; Q94-K98 PolarHBondContact O-N 2.84Å; L95-K98 PolarHBondContact O-N 3.24Å; L95-K98 VanDerWaalsContact O-N 3.1Å; K98-D100 VanDerWaalsContact C-N 3.31Å; K98-D100 PolarHBondContact O-N 3.24Å; K98-L101 PolarHBondContact O-N 3.43Å; K98-L102 PolarHBondContact O-N 2.83Å; K98-T122 HydrophobicContact CB-CG2 3.99Å; K98-T122 HydrophobicContact CD-CG2 4.35Å; K98-D440 HydrophobicContact CD-CB 4.29Å; K98-D440 IonicContact NZ-OD1 3.76Å; K98-D440 PolarHBondContact NZ-OD1 2.94Å; K98-D440 IonicContact NZ-OD2 2.92Å; K98-D440 PolarHBondContact NZ-OD2 3.08Å; K98-F442 PolarHBondContact NZ-O 3.4Å; K98-T445 WeakPolarHBondContact CE-O 3.43Å; K98-T445 PolarHBondContact NZ-O 2.86Å; K98-R447 WeakPolarHBondContact CE-O 3.35Å; K98-R447 PolarHBondContact NZ-O 2.89Å; K98-C448 HydrophobicContact CB-CB 3.97Å; K98-C448 HydrophobicContact CD-CB 3.97Å; K98-C448 HydrophobicContact CG-CB 3.9Å
99K97.3Very high97.4Very high54 Ų5442 Ų4224%0.23520%0.2CC..Hα-helixtrans-60.2-41.8168.9-172-178-170.9172.20111.8L95 D96 L101 L102 R103 L119 R120 N121 T122L95-K99 PolarHBondContact O-N 3.35Å; L95-K99 VanDerWaalsContact O-N 3.11Å; D96-K99 PolarHBondContact O-N 2.86Å; K99-L101 PolarHBondContact O-N 2.8Å; K99-L102 WeakPolarHBondContact O-CB 3.43Å; K99-L102 PolarHBondContact O-N 2.85Å; K99-R103 PolarHBondContact O-N 3.21Å; K99-R103 VanDerWaalsContact O-N 3.12Å; K99-L119 WeakPolarHBondContact CE-O 3.43Å; K99-L119 PolarHBondContact NZ-O 2.92Å; K99-R120 WeakPolarHBondContact CD-O 3.32Å; K99-R120 VanDerWaalsContact CE-O 3.24Å; K99-R120 WeakPolarHBondContact CE-O 3.29Å; K99-N121 PolarHBondContact NZ-OD1 2.91Å; K99-T122 PolarHBondContact N-OG1 3.2Å
100D96.5Very high97.4Very high40 Ų4048.3 Ų48.321%0.21423%0.228CC..Hα-helixtrans-64-38.3178.7-16466.3000113D96 F97 K98 L102 R103 Q104D96-D100 WeakPolarHBondContact O-CB 3.39Å; D96-D100 PolarHBondContact O-N 2.74Å; F97-D100 CarbonylContact O-C 3.54Å; F97-D100 WeakPolarHBondContact O-CA 3.27Å; F97-D100 WeakPolarHBondContact O-CB 3.47Å; F97-D100 PolarHBondContact O-N 2.96Å; F97-D100 VanDerWaalsContact O-N 3.11Å; K98-D100 VanDerWaalsContact C-N 3.31Å; K98-D100 PolarHBondContact O-N 3.24Å; D100-L102 VanDerWaalsContact C-N 3.28Å; D100-L102 PolarHBondContact O-N 2.71Å; D100-R103 WeakPolarHBondContact O-CB 3.43Å; D100-R103 PolarHBondContact O-N 3.12Å; D100-R103 IonicContact OD1-CZ 2.88Å; D100-R103 IonicContact OD1-NE 2.55Å; D100-R103 PolarHBondContact OD1-NE 2.83Å; D100-R103 IonicContact OD1-NH2 2.97Å; D100-R103 PolarHBondContact OD1-NH2 3.32Å; D100-R103 IonicContact OD2-NH2 2.71Å; D100-R103 PolarHBondContact OD2-NH2 3.27Å; D100-Q104 WeakPolarHBondContact O-CB 3.39Å; D100-Q104 VanDerWaalsContact O-CG 3.32Å; D100-Q104 WeakPolarHBondContact O-CG 3.48Å; D100-Q104 PolarHBondContact O-N 3.07Å; D100-Q104 PolarHBondContact OD2-NE2 2.75Å
101L95.7Very high97.4Very high9 Ų946.1 Ų46.15%0.04722%0.215CC..Hα-helixtrans-58.7-41.3174.8-75.4-176.7000112.1I20 F97 K98 K99 Q104 A105 V417 A446I20-L101 HydrophobicContact CB-CD2 4.5Å; F97-L101 HydrophobicContact CD2-CD2 4.37Å; F97-L101 HydrophobicContact CD2-CG 4.1Å; F97-L101 HydrophobicContact CE1-CD1 3.75Å; F97-L101 HydrophobicContact CE1-CG 4.17Å; F97-L101 HydrophobicContact CE2-CD1 3.94Å; F97-L101 HydrophobicContact CE2-CD2 3.45Å; F97-L101 VanDerWaalsContact CE2-CD2 3.45Å; F97-L101 HydrophobicContact CE2-CG 3.49Å; F97-L101 VanDerWaalsContact CE2-CG 3.49Å; F97-L101 HydrophobicContact CZ-CD1 3.44Å; F97-L101 VanDerWaalsContact CZ-CD1 3.44Å; F97-L101 HydrophobicContact CZ-CD2 3.7Å; F97-L101 HydrophobicContact CZ-CG 3.57Å; F97-L101 PolarHBondContact O-N 2.75Å; K98-L101 PolarHBondContact O-N 3.43Å; K99-L101 PolarHBondContact O-N 2.8Å; L101-Q104 PolarHBondContact O-N 2.65Å; L101-A105 WeakPolarHBondContact O-CB 3.42Å; L101-A105 PolarHBondContact O-N 2.86Å; L101-V417 HydrophobicContact CB-CG2 4.36Å; L101-A446 WeakPolarHBondContact CD1-O 3.46Å
102L96.3Very high97.3Very high2 Ų249.5 Ų49.51%0.0123%0.232CC..Hα-helixtrans-63.4-47.5175.517958.1000111K98 K99 D100 Q104 A105 L106 L119 V417 L420 L436 V450K98-L102 PolarHBondContact O-N 2.83Å; K99-L102 WeakPolarHBondContact O-CB 3.43Å; K99-L102 PolarHBondContact O-N 2.85Å; D100-L102 VanDerWaalsContact C-N 3.28Å; D100-L102 PolarHBondContact O-N 2.71Å; L102-Q104 PolarHBondContact O-N 2.86Å; L102-A105 PolarHBondContact O-N 2.85Å; L102-L106 HydrophobicContact CD1-CD1 4.49Å; L102-L106 HydrophobicContact CD1-CG 4.45Å; L102-L106 HydrophobicContact CG-CD1 4.36Å; L102-L106 WeakPolarHBondContact O-CG 3.26Å; L102-L106 PolarHBondContact O-N 3.19Å; L102-L119 HydrophobicContact CD2-CD2 3.85Å; L102-L119 HydrophobicContact CG-CD2 4.14Å; L102-V417 HydrophobicContact CB-CG1 4.19Å; L102-V417 HydrophobicContact CD1-CB 4.36Å; L102-V417 HydrophobicContact CD1-CG1 4.14Å; L102-L420 HydrophobicContact CD1-CD2 4.12Å; L102-L436 HydrophobicContact CD1-CD2 3.83Å; L102-L436 HydrophobicContact CD2-CB 3.69Å; L102-L436 HydrophobicContact CD2-CD2 3.93Å; L102-L436 HydrophobicContact CD2-CG 4.45Å; L102-L436 HydrophobicContact CG-CD2 4.23Å; L102-V450 HydrophobicContact CD1-CG1 4.48Å; L102-V450 HydrophobicContact CD1-CG2 4.41Å; L102-V450 HydrophobicContact CD2-CG1 3.93Å; L102-V450 HydrophobicContact CD2-CG2 4.27Å
103R97Very high97.2Very high87 Ų8747.7 Ų47.733%0.32822%0.224SC..Hα-helixtrans-56.4-48174.6-175.9-172.664.476.44111.8K99 D100 A105 L106 E107 L119K99-R103 PolarHBondContact O-N 3.21Å; K99-R103 VanDerWaalsContact O-N 3.12Å; D100-R103 WeakPolarHBondContact O-CB 3.43Å; D100-R103 PolarHBondContact O-N 3.12Å; D100-R103 IonicContact OD1-CZ 2.88Å; D100-R103 IonicContact OD1-NE 2.55Å; D100-R103 PolarHBondContact OD1-NE 2.83Å; D100-R103 IonicContact OD1-NH2 2.97Å; D100-R103 PolarHBondContact OD1-NH2 3.32Å; D100-R103 IonicContact OD2-NH2 2.71Å; D100-R103 PolarHBondContact OD2-NH2 3.27Å; R103-A105 VanDerWaalsContact C-N 3.3Å; R103-A105 PolarHBondContact O-N 3.49Å; R103-L106 PolarHBondContact O-N 3.31Å; R103-E107 IonicContact CZ-OE1 3.73Å; R103-E107 IonicContact NH1-OE1 2.84Å; R103-E107 PolarHBondContact NH1-OE1 3.05Å; R103-E107 IonicContact NH1-OE2 3.3Å; R103-E107 PolarHBondContact NH1-OE2 3.33Å; R103-E107 WeakPolarHBondContact O-CG 3.28Å; R103-E107 PolarHBondContact O-N 2.9Å; R103-L119 HydrophobicContact CB-CD1 3.87Å; R103-L119 HydrophobicContact CG-CD1 4.3Å
104Q95.7Very high97.2Very high31 Ų3146.5 Ų46.515%0.14522%0.218CC..Hα-helixtrans-61-37.9178.1-72.2-174.756.800112.2L18 D100 L101 L102 K108L18-Q104 PolarHBondContact O-NE2 3Å; D100-Q104 WeakPolarHBondContact O-CB 3.39Å; D100-Q104 VanDerWaalsContact O-CG 3.32Å; D100-Q104 WeakPolarHBondContact O-CG 3.48Å; D100-Q104 PolarHBondContact O-N 3.07Å; D100-Q104 PolarHBondContact OD2-NE2 2.75Å; L101-Q104 PolarHBondContact O-N 2.65Å; L102-Q104 PolarHBondContact O-N 2.86Å; Q104-K108 WeakPolarHBondContact O-CB 3.44Å; Q104-K108 PolarHBondContact O-N 2.96Å; Q104-K108 VanDerWaalsContact O-N 3.13Å
105A97Very high97.1Very high5 Ų552.8 Ų52.84%0.04125%0.248CC..Hα-helixtrans-67.3-45.4176.300000111.4L101 L102 R103 E107 K108 Y109 V417 A421L101-A105 WeakPolarHBondContact O-CB 3.42Å; L101-A105 PolarHBondContact O-N 2.86Å; L102-A105 PolarHBondContact O-N 2.85Å; R103-A105 VanDerWaalsContact C-N 3.3Å; R103-A105 PolarHBondContact O-N 3.49Å; A105-E107 PolarHBondContact O-N 3.2Å; A105-K108 WeakPolarHBondContact O-CB 3.28Å; A105-K108 PolarHBondContact O-N 2.8Å; A105-Y109 WeakPolarHBondContact O-CD2 3.4Å; A105-Y109 PolarHBondContact O-N 3.4Å; A105-Y109 VanDerWaalsContact O-N 3.09Å; A105-V417 HydrophobicContact CB-CB 4.02Å; A105-V417 HydrophobicContact CB-CG2 4.09Å; A105-V417 VanDerWaalsContact CB-O 3.32Å; A105-V417 WeakPolarHBondContact CB-O 3.2Å; A105-A421 HydrophobicContact CB-CB 3.82Å
106L97.9Very high96.9Very high2 Ų257 Ų571%0.0128%0.275CS..Hα-helixtrans-60.3-44.9175.6-67.2172.5000111.9L102 R103 K108 Y109 K110 P111 Y114 F117 L119 A421 L424 L436L102-L106 HydrophobicContact CD1-CD1 4.49Å; L102-L106 HydrophobicContact CD1-CG 4.45Å; L102-L106 HydrophobicContact CG-CD1 4.36Å; L102-L106 WeakPolarHBondContact O-CG 3.26Å; L102-L106 PolarHBondContact O-N 3.19Å; R103-L106 PolarHBondContact O-N 3.31Å; L106-K108 PolarHBondContact O-N 2.88Å; L106-Y109 PolarHBondContact O-N 3.24Å; L106-K110 WeakPolarHBondContact O-CA 3.43Å; L106-K110 PolarHBondContact O-N 3.47Å; L106-P111 HydrophobicContact CD2-CG 4.14Å; L106-Y114 HydrophobicContact CB-CD2 4.12Å; L106-F117 HydrophobicContact CD1-CD2 4.2Å; L106-F117 HydrophobicContact CD2-CD2 4.19Å; L106-F117 HydrophobicContact CD2-CE2 4.2Å; L106-L119 HydrophobicContact CD1-CD1 4.3Å; L106-L119 HydrophobicContact CD1-CD2 3.74Å; L106-A421 HydrophobicContact CD2-CB 4.21Å; L106-L424 HydrophobicContact CD2-CD1 3.92Å; L106-L436 HydrophobicContact CD1-CD2 4.35Å
107E97Very high96.9Very high75 Ų7554.4 Ų54.435%0.3526%0.26SS..Hα-helixtrans-60.5-32176.1-76.2173.7178.200113.2R103 A105 K110 Y114R103-E107 IonicContact CZ-OE1 3.73Å; R103-E107 IonicContact NH1-OE1 2.84Å; R103-E107 PolarHBondContact NH1-OE1 3.05Å; R103-E107 IonicContact NH1-OE2 3.3Å; R103-E107 PolarHBondContact NH1-OE2 3.33Å; R103-E107 WeakPolarHBondContact O-CG 3.28Å; R103-E107 PolarHBondContact O-N 2.9Å; A105-E107 PolarHBondContact O-N 3.2Å; E107-K110 VanDerWaalsContact O-CG 3.29Å; E107-K110 WeakPolarHBondContact O-CG 3.32Å; E107-Y114 HydrophobicContact CB-CE2 4.47Å; E107-Y114 HydrophobicContact CG-CE2 3.94Å
108K96.3Very high96.9Very high140 Ų14058.4 Ų58.461%0.60928%0.279SS*.Hα-helixtrans-73.7-46.8178.9177.6-176.6173-169.20112.1Q104 A105 L106Q104-K108 WeakPolarHBondContact O-CB 3.44Å; Q104-K108 PolarHBondContact O-N 2.96Å; Q104-K108 VanDerWaalsContact O-N 3.13Å; A105-K108 WeakPolarHBondContact O-CB 3.28Å; A105-K108 PolarHBondContact O-N 2.8Å; L106-K108 PolarHBondContact O-N 2.88Å
109Y97.8Very high96.9Very high81 Ų8160.3 Ų60.332%0.31829%0.289SS..Hα-helixtrans-90.7-21.7-174.5-72.6-84.9000113.6A105 L106 S418 A421 R422A105-Y109 WeakPolarHBondContact O-CD2 3.4Å; A105-Y109 PolarHBondContact O-N 3.4Å; A105-Y109 VanDerWaalsContact O-N 3.09Å; L106-Y109 PolarHBondContact O-N 3.24Å; Y109-S418 VanDerWaalsContact CE2-O 3.28Å; Y109-S418 WeakPolarHBondContact CE2-O 3.32Å; Y109-A421 HydrophobicContact CD2-CB 3.69Å; Y109-A421 HydrophobicContact CG-CB 4.21Å; Y109-R422 HydrophobicContact CD1-CB 3.87Å; Y109-R422 HydrophobicContact CD1-CG 4.33Å; Y109-R422 HydrophobicContact CE1-CB 3.74Å; Y109-R422 HydrophobicContact CE1-CG 4.12Å; Y109-R422 HydrophobicContact CG-CB 4.43Å
110K98Very high97Very high139 Ų13961.3 Ų61.360%0.60429%0.291SS*.  trans50.156.8178.2-55-178.7178.7-1780114.6L106 E107 Y114L106-K110 WeakPolarHBondContact O-CA 3.43Å; L106-K110 PolarHBondContact O-N 3.47Å; E107-K110 VanDerWaalsContact O-CG 3.29Å; E107-K110 WeakPolarHBondContact O-CG 3.32Å; K110-Y114 HydrophobicContact CB-CD1 4.11Å; K110-Y114 HydrophobicContact CB-CE1 3.87Å; K110-Y114 HydrophobicContact CG-CE1 3.92Å
111P97.7Very high97Very high1 Ų165 Ų651%0.00631%0.311CS..  trans-49.9150.6165.5-25.235.1000112.1L106 G113 Y114 F117 A421 L424 V425 A428L106-P111 HydrophobicContact CD2-CG 4.14Å; P111-G113 PolarHBondContact O-N 3.42Å; P111-Y114 WeakPolarHBondContact O-CB 3.31Å; P111-Y114 VanDerWaalsContact O-CD1 3.3Å; P111-Y114 WeakPolarHBondContact O-CD1 3.46Å; P111-Y114 PolarHBondContact O-N 3.41Å; P111-Y114 VanDerWaalsContact O-N 3.09Å; P111-F117 HydrophobicContact CB-CE2 4.06Å; P111-F117 HydrophobicContact CB-CZ 4.08Å; P111-A421 WeakPolarHBondContact CG-O 3.42Å; P111-L424 HydrophobicContact CB-CB 4.05Å; P111-L424 HydrophobicContact CG-CB 3.73Å; P111-V425 HydrophobicContact CG-CG2 4.13Å; P111-A428 HydrophobicContact CB-CB 4.17Å
112E97.4Very high97.2Very high111 Ų11165.1 Ų65.152%0.51931%0.312SS..THydrogen-bonded Turntrans-55.6126.9177.6-170.8-173.7133.800110.7Y114 F117 A428 K457E112-Y114 VanDerWaalsContact C-N 3.31Å; E112-Y114 PolarHBondContact O-N 3.32Å; E112-F117 WeakPolarHBondContact O-CE1 3.46Å; E112-F117 VanDerWaalsContact O-CZ 3.31Å; E112-F117 WeakPolarHBondContact O-CZ 3.26Å; E112-A428 HydrophobicContact CB-CB 4.27Å; E112-K457 IonicContact OE1-NZ 2.94Å; E112-K457 PolarHBondContact OE1-NZ 2.93Å
113G95.8Very high97.3Very high32 Ų3267.4 Ų67.433%0.3332%0.324SS..THydrogen-bonded Turntrans74.69.4179.600000116P111 Q115 T116 F117P111-G113 PolarHBondContact O-N 3.42Å; G113-Q115 PolarHBondContact O-N 3.47Å; G113-T116 PolarHBondContact O-N 3.24Å; G113-T116 PolarHBondContact O-OG1 2.8Å; G113-F117 VanDerWaalsContact C-CE1 3.46Å; G113-F117 WeakPolarHBondContact O-CD1 3.43Å; G113-F117 WeakPolarHBondContact O-CE1 3.33Å
114Y97.3Very high97.3Very high47 Ų4764.2 Ų64.218%0.18432%0.317CS..G310 helixtrans-54.1-25.5-172.879.2-83.6000115.5L106 E107 K110 P111 E112 T116L106-Y114 HydrophobicContact CB-CD2 4.12Å; E107-Y114 HydrophobicContact CB-CE2 4.47Å; E107-Y114 HydrophobicContact CG-CE2 3.94Å; K110-Y114 HydrophobicContact CB-CD1 4.11Å; K110-Y114 HydrophobicContact CB-CE1 3.87Å; K110-Y114 HydrophobicContact CG-CE1 3.92Å; P111-Y114 WeakPolarHBondContact O-CB 3.31Å; P111-Y114 VanDerWaalsContact O-CD1 3.3Å; P111-Y114 WeakPolarHBondContact O-CD1 3.46Å; P111-Y114 PolarHBondContact O-N 3.41Å; P111-Y114 VanDerWaalsContact O-N 3.09Å; E112-Y114 VanDerWaalsContact C-N 3.31Å; E112-Y114 PolarHBondContact O-N 3.32Å; Y114-T116 PolarHBondContact O-N 2.87Å
115Q96.2Very high97.4Very high134 Ų13463.3 Ų63.363%0.62631%0.313SS*.G310 helixtrans-69.8-18.2176.9-57.793.9-33.200113.3G113G113-Q115 PolarHBondContact O-N 3.47Å
116T95.3Very high97.4Very high121 Ų12171.6 Ų71.674%0.74236%0.357SS*.G310 helixtrans-102.1-6.2-178.163.50000113.3G113 Y114 E118G113-T116 PolarHBondContact O-N 3.24Å; G113-T116 PolarHBondContact O-OG1 2.8Å; Y114-T116 PolarHBondContact O-N 2.87Å; T116-E118 PolarHBondContact O-N 2.9Å
117F97.3Very high97.3Very high20 Ų2077.8 Ų77.89%0.08839%0.386CS..SBendtrans-64.4133.9-179.8-63-5.8000110.6L106 P111 E112 G113 L119 L424 A428 I433 L436L106-F117 HydrophobicContact CD1-CD2 4.2Å; L106-F117 HydrophobicContact CD2-CD2 4.19Å; L106-F117 HydrophobicContact CD2-CE2 4.2Å; P111-F117 HydrophobicContact CB-CE2 4.06Å; P111-F117 HydrophobicContact CB-CZ 4.08Å; E112-F117 WeakPolarHBondContact O-CE1 3.46Å; E112-F117 VanDerWaalsContact O-CZ 3.31Å; E112-F117 WeakPolarHBondContact O-CZ 3.26Å; G113-F117 VanDerWaalsContact C-CE1 3.46Å; G113-F117 WeakPolarHBondContact O-CD1 3.43Å; G113-F117 WeakPolarHBondContact O-CE1 3.33Å; F117-L119 PolarHBondContact O-N 3.1Å; F117-L119 VanDerWaalsContact O-N 3.08Å; F117-L424 HydrophobicContact CE2-CD1 4.45Å; F117-A428 HydrophobicContact CZ-CB 4.22Å; F117-I433 HydrophobicContact CD1-CB 3.76Å; F117-I433 HydrophobicContact CD1-CG1 4.28Å; F117-I433 HydrophobicContact CD1-CG2 4.25Å; F117-I433 HydrophobicContact CD2-CB 4.24Å; F117-I433 HydrophobicContact CD2-CG2 3.97Å; F117-I433 HydrophobicContact CE1-CB 3.63Å; F117-I433 HydrophobicContact CE1-CG1 3.64Å; F117-I433 HydrophobicContact CE1-CG2 4.41Å; F117-I433 HydrophobicContact CE2-CB 4.11Å; F117-I433 HydrophobicContact CE2-CG1 3.88Å; F117-I433 HydrophobicContact CE2-CG2 4.13Å; F117-I433 HydrophobicContact CG-CB 4.09Å; F117-I433 HydrophobicContact CG-CG2 4.05Å; F117-I433 HydrophobicContact CZ-CB 3.82Å; F117-I433 HydrophobicContact CZ-CG1 3.41Å; F117-I433 VanDerWaalsContact CZ-CG1 3.41Å; F117-I433 HydrophobicContact CZ-CG2 4.36Å; F117-L436 HydrophobicContact CB-CD1 3.71Å; F117-L436 HydrophobicContact CD2-CD1 3.9Å; F117-L436 HydrophobicContact CG-CD1 4.14Å
118E98Very high97.3Very high96 Ų9675 Ų7545%0.44937%0.374SS..EExtended strand (participates in β ladder)trans-72.6102.5174.5-171.4-164.8142.300109.9T116 R120 D434 Y435 L436T116-E118 PolarHBondContact O-N 2.9Å; E118-R120 HydrophobicContact CG-CG 4.35Å; E118-R120 PolarHBondContact O-N 3.3Å; E118-R120 VanDerWaalsContact OE1-CG 3.25Å; E118-R120 WeakPolarHBondContact OE1-CG 3.2Å; E118-R120 IonicContact OE1-CZ 3.44Å; E118-R120 IonicContact OE1-NE 2.88Å; E118-R120 PolarHBondContact OE1-NE 3Å; E118-R120 IonicContact OE1-NH2 2.63Å; E118-R120 IonicContact OE2-NH2 2.99Å; E118-D434 WeakPolarHBondContact CB-O 3.5Å; E118-Y435 CarbonylContact O-C 3.56Å; E118-Y435 WeakPolarHBondContact O-CA 3.27Å; E118-L436 PolarHBondContact O-N 3Å
119L97.8Very high97.4Very high40 Ų4071.2 Ų71.221%0.20936%0.356CS..EExtended strand (participates in β ladder)trans-87.3105.6170.5-59.3-173.9000109.9K99 L102 R103 L106 F117 L436K99-L119 WeakPolarHBondContact CE-O 3.43Å; K99-L119 PolarHBondContact NZ-O 2.92Å; L102-L119 HydrophobicContact CD2-CD2 3.85Å; L102-L119 HydrophobicContact CG-CD2 4.14Å; R103-L119 HydrophobicContact CB-CD1 3.87Å; R103-L119 HydrophobicContact CG-CD1 4.3Å; L106-L119 HydrophobicContact CD1-CD1 4.3Å; L106-L119 HydrophobicContact CD1-CD2 3.74Å; F117-L119 PolarHBondContact O-N 3.1Å; F117-L119 VanDerWaalsContact O-N 3.08Å; L119-L436 HydrophobicContact CD2-CB 3.91Å; L119-L436 HydrophobicContact CD2-CD1 3.78Å; L119-L436 HydrophobicContact CD2-CD2 4.37Å; L119-L436 HydrophobicContact CD2-CG 4.23Å
120R98.2Very high97.3Very high75 Ų7570.4 Ų70.428%0.28336%0.355SS..PPolyproline II helixtrans-75.4161.5176.7-64.9-176.7174.8172.12.5111.7K99 E118 E302 Y435 L436 Q437K99-R120 WeakPolarHBondContact CD-O 3.32Å; K99-R120 VanDerWaalsContact CE-O 3.24Å; K99-R120 WeakPolarHBondContact CE-O 3.29Å; E118-R120 HydrophobicContact CG-CG 4.35Å; E118-R120 PolarHBondContact O-N 3.3Å; E118-R120 VanDerWaalsContact OE1-CG 3.25Å; E118-R120 WeakPolarHBondContact OE1-CG 3.2Å; E118-R120 IonicContact OE1-CZ 3.44Å; E118-R120 IonicContact OE1-NE 2.88Å; E118-R120 PolarHBondContact OE1-NE 3Å; E118-R120 IonicContact OE1-NH2 2.63Å; E118-R120 IonicContact OE2-NH2 2.99Å; R120-E302 IonicContact NH1-OE1 2.61Å; R120-Y435 VanDerWaalsContact CZ-CD1 3.44Å; R120-Y435 VanDerWaalsContact CZ-CG 3.44Å; R120-Y435 VanDerWaalsContact NH1-CE2 3.35Å; R120-L436 PolarHBondContact N-O 2.76Å; R120-Q437 VanDerWaalsContact CD-OE1 3.31Å
121N98.2Very high97.3Very high117 Ų11763.9 Ų63.963%0.62633%0.327SS*.PPolyproline II helixtrans-69.3137.7176.8-68.2-19.1000110.1K99 I123 Q437K99-N121 PolarHBondContact NZ-OD1 2.91Å; N121-I123 PolarHBondContact O-N 3.2Å; N121-Q437 PolarHBondContact O-NE2 3.14Å
122T98.6Very high97.3Very high11 Ų1165.7 Ų65.77%0.06733%0.334CS..PPolyproline II helixtrans-58.7125.8178.3-540000110.4L95 K98 K99 G124 S438 D440L95-T122 HydrophobicContact CD2-CG2 3.99Å; L95-T122 PolarHBondContact O-OG1 3.45Å; L95-T122 VanDerWaalsContact O-OG1 3.08Å; K98-T122 HydrophobicContact CB-CG2 3.99Å; K98-T122 HydrophobicContact CD-CG2 4.35Å; K99-T122 PolarHBondContact N-OG1 3.2Å; T122-G124 PolarHBondContact O-N 2.9Å; T122-S438 CarbonylContact C-O 3.59Å; T122-S438 WeakPolarHBondContact CA-O 3.33Å; T122-S438 WeakPolarHBondContact CA-OG 3.25Å; T122-S438 WeakPolarHBondContact CB-OG 3.36Å; T122-S438 PolarHBondContact OG1-OG 3.04Å; T122-D440 HydrophobicContact CG2-CB 4.25Å
123I98.5Very high97.3Very high51 Ų5160.5 Ų60.526%0.26231%0.309SS..BIsolated β-bridgetrans-74121.2173.5-60.8165.7000107.5N121 I298 Q437 S438 V439 D440N121-I123 PolarHBondContact O-N 3.2Å; I123-I298 HydrophobicContact CB-CG2 4.42Å; I123-I298 HydrophobicContact CD1-CG2 4.2Å; I123-I298 HydrophobicContact CG2-CG2 3.73Å; I123-Q437 HydrophobicContact CD1-CG 3.76Å; I123-Q437 HydrophobicContact CG1-CG 4.42Å; I123-S438 PolarHBondContact N-O 3.1Å; I123-V439 HydrophobicContact CD1-CG2 4.41Å; I123-D440 WeakPolarHBondContact O-CB 3.4Å; I123-D440 PolarHBondContact O-N 3.19Å
124G98.2Very high97.3Very high19 Ų1960.3 Ų60.320%0.19630%0.299CS..  trans-98.9-172.1179.900000113.3Y91 T122 Q295Y91-G124 WeakPolarHBondContact OH-CA 3.4Å; T122-G124 PolarHBondContact O-N 2.9Å; G124-Q295 PolarHBondContact O-NE2 2.99Å
125M97.8Very high97.3Very high12 Ų1258 Ų586%0.05929%0.29CS..  trans-100.9143.4166.8-70.6-174.274.600110.5Y91 E127 P128 Y131 N292 Q294 Q295 P443Y91-M125 VanDerWaalsContact CE1-O 3.27Å; Y91-M125 WeakPolarHBondContact CE1-O 3.46Å; Y91-M125 PolarHBondContact OH-N 3.01Å; M125-E127 WeakPolarHBondContact CE-O 3.44Å; M125-P128 HydrophobicContact CB-CB 4.28Å; M125-Y131 HydrophobicContact SD-CD1 4.19Å; M125-Y131 HydrophobicContact SD-CG 4.17Å; M125-N292 PolarHBondContact SD-ND2 2.92Å; M125-Q294 HydrophobicContact CE-CB 4.46Å; M125-Q295 HydrophobicContact CG-CG 3.52Å; M125-Q295 HydrophobicContact SD-CG 3.86Å; M125-P443 HydrophobicContact CB-CG 4.4Å; M125-P443 HydrophobicContact CG-CG 3.95Å; M125-P443 HydrophobicContact SD-CG 3.47Å; M125-P443 WeakPolarHBondContact SD-CG 2.78Å
126D95.7Very high97.3Very high180 Ų18054.1 Ų54.196%0.96327%0.272SS*.SBendtrans-64.6-43.1170.2-65.9-28.1000110.7
127E95.9Very high97.4Very high132 Ų13248.3 Ų48.362%0.61724%0.237SC*.SBendtrans-11797.1172-173.8165.7-151.800110.1M125 W129M125-E127 WeakPolarHBondContact CE-O 3.44Å; E127-W129 HydrophobicContact CG-CB 4.44Å; E127-W129 PolarHBondContact O-N 2.95Å
128P97.3Very high97.4Very high16 Ų1648.6 Ų48.610%0.10424%0.238CC..  trans-81.341.8-171.634.3-38.4000113.5Y91 M125 P443 Q444Y91-P128 HydrophobicContact CD1-CB 4.17Å; Y91-P128 HydrophobicContact CD1-CG 3.91Å; Y91-P128 HydrophobicContact CD2-CB 3.86Å; Y91-P128 HydrophobicContact CD2-CG 4.03Å; Y91-P128 HydrophobicContact CE1-CB 3.86Å; Y91-P128 HydrophobicContact CE1-CG 4.07Å; Y91-P128 HydrophobicContact CE2-CB 3.57Å; Y91-P128 HydrophobicContact CE2-CG 4.22Å; Y91-P128 HydrophobicContact CG-CB 4.18Å; Y91-P128 HydrophobicContact CG-CG 3.9Å; M125-P128 HydrophobicContact CB-CB 4.28Å; P128-P443 HydrophobicContact CB-CB 3.6Å; P128-P443 HydrophobicContact CB-CG 4.05Å; P128-Q444 PolarHBondContact O-NE2 3.42Å
129W97.3Very high97.4Very high61 Ų6144 Ų4423%0.23122%0.217CC..SBendtrans-138.7167.7-175.3-57.9113000110.8P74 Q87 E127 Y131 L167 V168 Q444P74-W129 HydrophobicContact CG-CH2 3.41Å; P74-W129 VanDerWaalsContact CG-CH2 3.41Å; P74-W129 HydrophobicContact CG-CZ2 3.62Å; P74-W129 HydrophobicContact CG-CZ3 4.27Å; Q87-W129 HydrophobicContact CG-CH2 4.15Å; Q87-W129 HydrophobicContact CG-CZ3 4.48Å; E127-W129 HydrophobicContact CG-CB 4.44Å; E127-W129 PolarHBondContact O-N 2.95Å; W129-Y131 PolarHBondContact O-N 3.04Å; W129-L167 HydrophobicContact CD2-CB 4.47Å; W129-L167 HydrophobicContact CE3-CB 3.59Å; W129-L167 HydrophobicContact CE3-CD1 4.47Å; W129-L167 HydrophobicContact CZ3-CB 3.83Å; W129-L167 HydrophobicContact CZ3-CD1 4.18Å; W129-V168 HydrophobicContact CE3-CG1 4.18Å; W129-V168 HydrophobicContact CZ3-CG1 4.26Å; W129-Q444 HydrophobicContact CE3-CG 4.1Å; W129-Q444 VanDerWaalsContact CH2-CD 3.47Å; W129-Q444 HydrophobicContact CH2-CG 3.67Å; W129-Q444 HydrophobicContact CZ2-CG 4.41Å; W129-Q444 HydrophobicContact CZ3-CG 3.51Å
130H97Very high97.3Very high64 Ų6444.1 Ų44.130%0.29621%0.214SC..SBendtrans56.310.3174.6-61.1-54.8000117.1R132 L167 Q169 E170H130-R132 PolarHBondContact O-N 3.43Å; H130-L167 PolarHBondContact N-O 2.74Å; H130-Q169 PolarHBondContact ND1-O 3.15Å; H130-Q169 VanDerWaalsContact ND1-O 3.12Å; H130-E170 WeakPolarHBondContact O-CA 3.36Å; H130-E170 WeakPolarHBondContact O-CG 3.24Å; H130-E170 PolarHBondContact O-N 2.86Å
131Y97.2Very high97.2Very high2 Ų244 Ų441%0.00822%0.216CC..  trans-80-15.9-166.363.8-101.8000115.8M125 W129 N133 V168 N292 F442 P443M125-Y131 HydrophobicContact SD-CD1 4.19Å; M125-Y131 HydrophobicContact SD-CG 4.17Å; W129-Y131 PolarHBondContact O-N 3.04Å; Y131-N133 PolarHBondContact O-N 2.8Å; Y131-V168 HydrophobicContact CD1-CB 4.46Å; Y131-V168 HydrophobicContact CE1-CB 3.77Å; Y131-V168 HydrophobicContact CE1-CG1 3.76Å; Y131-V168 PolarHBondContact N-O 3.03Å; Y131-N292 HydrophobicContact CD2-CB 3.83Å; Y131-N292 WeakPolarHBondContact CD2-ND2 3.31Å; Y131-N292 WeakPolarHBondContact O-CA 3.41Å; Y131-F442 HydrophobicContact CE2-CD1 4.47Å; Y131-P443 HydrophobicContact CD1-CB 4.37Å; Y131-P443 HydrophobicContact CD1-CG 4.08Å; Y131-P443 HydrophobicContact CE1-CB 3.85Å; Y131-P443 HydrophobicContact CE1-CG 3.93Å; Y131-P443 PolarHBondContact OH-O 3.25Å
132R97.7Very high97Very high39 Ų3940 Ų4015%0.14720%0.195CC..BIsolated β-bridgetrans-81.7113-175.9-65.8-174-178.9-168.12.3111.2H130 K134 V168 Q169 E170 L291H130-R132 PolarHBondContact O-N 3.43Å; R132-K134 PolarHBondContact O-N 2.9Å; R132-V168 VanDerWaalsContact CB-O 3.23Å; R132-V168 WeakPolarHBondContact CB-O 3.47Å; R132-V168 VanDerWaalsContact CG-O 3.31Å; R132-V168 WeakPolarHBondContact CG-O 3.41Å; R132-V168 PolarHBondContact N-O 3.45Å; R132-Q169 VanDerWaalsContact CB-OE1 3.3Å; R132-Q169 PolarHBondContact O-OE1 3.42Å; R132-Q169 VanDerWaalsContact O-OE1 3.13Å; R132-E170 WeakPolarHBondContact O-CB 3.23Å; R132-E170 VanDerWaalsContact O-CG 3.3Å; R132-E170 WeakPolarHBondContact O-CG 3.31Å; R132-E170 PolarHBondContact O-N 3.21Å; R132-L291 CarbonylContact C-O 3.55Å; R132-L291 VanDerWaalsContact CA-O 3.26Å; R132-L291 WeakPolarHBondContact CA-O 3.47Å; R132-L291 HydrophobicContact CG-CB 4.37Å
133N97Very high96.6Very high1 Ų148.2 Ų48.21%0.00523%0.229CC..SBendtrans-76.3-3.817770.46.6000114.8Y131 R207 I208 V210 F289 Q290 L291 P293Y131-N133 PolarHBondContact O-N 2.8Å; N133-R207 CarbonylContact O-C 3.59Å; N133-R207 VanDerWaalsContact O-CA 3.29Å; N133-R207 WeakPolarHBondContact O-CA 3.27Å; N133-I208 HydrophobicContact CB-CG2 4.13Å; N133-I208 PolarHBondContact O-N 3.44Å; N133-V210 HydrophobicContact CB-CG2 3.78Å; N133-F289 VanDerWaalsContact ND2-CD1 3.3Å; N133-F289 WeakPolarHBondContact ND2-CD1 3.41Å; N133-F289 VanDerWaalsContact ND2-CE1 3.32Å; N133-F289 WeakPolarHBondContact ND2-CE1 3.14Å; N133-Q290 PolarHBondContact ND2-O 3.09Å; N133-L291 PolarHBondContact N-O 3.33Å; N133-L291 WeakPolarHBondContact OD1-CA 3.29Å; N133-L291 PolarHBondContact OD1-O 3.1Å; N133-P293 HydrophobicContact CB-CG 4.14Å; N133-P293 WeakPolarHBondContact ND2-CG 3.2Å
134K97.4Very high96.3Very high28 Ų2856.4 Ų56.412%0.12226%0.257CS..EExtended strand (participates in β ladder)trans-140.6121.2-178.1-171.9-179.274.4-170.80111.5R132 Q136 Q169 M205 V206 R207 L291R132-K134 PolarHBondContact O-N 2.9Å; K134-Q136 HydrophobicContact CG-CG 4.5Å; K134-Q169 PolarHBondContact O-NE2 3.44Å; K134-Q169 PolarHBondContact O-OE1 2.92Å; K134-M205 HydrophobicContact CD-CE 4.48Å; K134-M205 HydrophobicContact CD-CG 4.36Å; K134-M205 HydrophobicContact CD-SD 3.89Å; K134-M205 HydrophobicContact CG-CG 4.13Å; K134-M205 HydrophobicContact CG-SD 4.31Å; K134-V206 CarbonylContact C-O 3.55Å; K134-V206 VanDerWaalsContact CA-O 3.3Å; K134-V206 WeakPolarHBondContact CA-O 3.34Å; K134-R207 HydrophobicContact CB-CB 4.5Å; K134-R207 HydrophobicContact CB-CG 4.31Å; K134-R207 HydrophobicContact CG-CB 4.27Å; K134-R207 HydrophobicContact CG-CG 4.48Å; K134-L291 HydrophobicContact CB-CD2 3.73Å
135A96.8Very high96.1Very high0 Ų058.2 Ų58.20%027%0.265CS..EExtended strand (participates in β ladder)trans-104.4137.317200000110.3F137 Q169 I177 M205 V206A135-F137 HydrophobicContact CB-CD1 4.48Å; A135-F137 HydrophobicContact CB-CE1 4.33Å; A135-Q169 HydrophobicContact CB-CG 4.46Å; A135-I177 HydrophobicContact CB-CD1 3.42Å; A135-I177 VanDerWaalsContact CB-CD1 3.42Å; A135-M205 CarbonylContact O-C 3.5Å; A135-M205 VanDerWaalsContact O-CA 3.23Å; A135-M205 WeakPolarHBondContact O-CA 3.45Å; A135-V206 PolarHBondContact N-O 3.4Å; A135-V206 PolarHBondContact O-N 2.89Å
136Q96.4Very high95.9Very high51 Ų5162 Ų6224%0.23829%0.285CS..EExtended strand (participates in β ladder)trans-131.889.4176.8-73.4-176.5-26.900109K134 L204 M205K134-Q136 HydrophobicContact CG-CG 4.5Å; Q136-L204 CarbonylContact C-O 3.53Å; Q136-M205 HydrophobicContact CG-CB 4.07Å; Q136-M205 HydrophobicContact CG-CG 3.68Å; Q136-M205 HydrophobicContact CG-SD 4Å; Q136-M205 PolarHBondContact NE2-SD 3.18Å
137F97.5Very high95.9Very high0 Ų058.4 Ų58.40%026%0.262CS..EExtended strand (participates in β ladder)trans-103.7127.7-173.6-77.415.4000111.2A135 A150 G151 L152 I163 C166 I177 T203 L204A135-F137 HydrophobicContact CB-CD1 4.48Å; A135-F137 HydrophobicContact CB-CE1 4.33Å; F137-A150 HydrophobicContact CB-CB 4.01Å; F137-A150 HydrophobicContact CD2-CB 4.13Å; F137-G151 CarbonylContact C-O 3.5Å; F137-G151 WeakPolarHBondContact CA-O 3.37Å; F137-L152 HydrophobicContact CD1-CD2 4.12Å; F137-L152 HydrophobicContact CD1-CG 4.32Å; F137-L152 HydrophobicContact CE1-CD2 4.32Å; F137-L152 HydrophobicContact CE1-CG 4.18Å; F137-I163 HydrophobicContact CE2-CB 3.9Å; F137-I163 HydrophobicContact CE2-CG2 3.96Å; F137-I163 HydrophobicContact CZ-CB 4.23Å; F137-I163 HydrophobicContact CZ-CG2 3.98Å; F137-C166 HydrophobicContact CZ-CB 4.26Å; F137-I177 HydrophobicContact CB-CD1 4.17Å; F137-I177 HydrophobicContact CD1-CD1 4.25Å; F137-I177 HydrophobicContact CD2-CD1 3.88Å; F137-I177 HydrophobicContact CD2-CG2 3.77Å; F137-I177 HydrophobicContact CE2-CD1 4.28Å; F137-I177 HydrophobicContact CE2-CG2 4.37Å; F137-I177 HydrophobicContact CG-CD1 3.83Å; F137-I177 HydrophobicContact CG-CG2 4.47Å; F137-T203 CarbonylContact O-C 3.54Å; F137-T203 WeakPolarHBondContact O-CA 3.23Å; F137-T203 VanDerWaalsContact O-CG2 3.22Å; F137-T203 WeakPolarHBondContact O-CG2 3.32Å; F137-L204 PolarHBondContact N-O 3.43Å; F137-L204 PolarHBondContact O-N 3.13Å
138Q97.1Very high96Very high25 Ų2552.6 Ų52.612%0.11724%0.236CC..EExtended strand (participates in β ladder)trans-74.1140.4176.5-50.9-57.4-36.300108.9A150 G151 Y153 L160 T203Q138-A150 WeakPolarHBondContact O-CA 3.27Å; Q138-G151 PolarHBondContact N-O 3.06Å; Q138-G151 PolarHBondContact O-N 2.97Å; Q138-G151 VanDerWaalsContact O-N 3.15Å; Q138-Y153 HydrophobicContact CB-CE1 4.03Å; Q138-Y153 HydrophobicContact CG-CD2 4.4Å; Q138-Y153 HydrophobicContact CG-CE1 4.06Å; Q138-Y153 HydrophobicContact CG-CE2 3.78Å; Q138-L160 HydrophobicContact CB-CD1 3.85Å; Q138-L160 WeakPolarHBondContact O-CD1 3.48Å; Q138-T203 PolarHBondContact OE1-OG1 3.43Å
139L97.8Very high96Very high0 Ų054.3 Ų54.30%024%0.242CC..EExtended strand (participates in β ladder)trans-97140.6178.3-63.6171.2000110.4V148 E149 A150 V181 L184 I191 L201 R202 L204L139-V148 HydrophobicContact CD2-CG1 3.88Å; L139-E149 WeakPolarHBondContact CA-O 3.34Å; L139-A150 HydrophobicContact CD2-CB 3.88Å; L139-V181 HydrophobicContact CD2-CG2 4.2Å; L139-L184 HydrophobicContact CD1-CD1 3.64Å; L139-L184 HydrophobicContact CD2-CD1 4.09Å; L139-I191 HydrophobicContact CB-CG2 3.63Å; L139-I191 HydrophobicContact CD1-CD1 4.24Å; L139-L201 HydrophobicContact CD1-CB 3.8Å; L139-R202 PolarHBondContact N-O 2.96Å; L139-L204 HydrophobicContact CD1-CD2 4.31Å; L139-L204 HydrophobicContact CD1-CG 3.99Å; L139-L204 HydrophobicContact CD2-CD1 3.99Å; L139-L204 HydrophobicContact CD2-CG 3.98Å; L139-L204 HydrophobicContact CG-CG 4.21Å
140R96.5Very high96Very high42 Ų4251.7 Ų51.716%0.15823%0.234CC..EExtended strand (participates in β ladder)trans-137.3153.7164-67.1-64.7-176.2-93.62.1109.7E149 Y153 L160 E194R140-E149 PolarHBondContact N-O 3.39Å; R140-E149 PolarHBondContact O-N 2.81Å; R140-Y153 PolarHBondContact NH2-OH 3.35Å; R140-L160 HydrophobicContact CB-CD2 3.68Å; R140-L160 HydrophobicContact CG-CB 3.86Å; R140-L160 HydrophobicContact CG-CD2 3.74Å; R140-L160 HydrophobicContact CG-CG 4.27Å; R140-E194 IonicContact CZ-OE1 3.07Å; R140-E194 IonicContact NH1-OE1 2.76Å; R140-E194 IonicContact NH2-OE1 2.75Å; R140-E194 PolarHBondContact NH2-OE1 3.18Å; R140-E194 IonicContact NH2-OE2 2.65Å
141K95.8Very high96Very high72 Ų7248.6 Ų48.631%0.31322%0.22SC..EExtended strand (participates in β ladder)trans-99120.4169.8-167.7167.1179.8-177.80108.9K143 N146 D188 I191K141-K143 PolarHBondContact O-N 2.79Å; K141-N146 WeakPolarHBondContact CE-OD1 3.26Å; K141-N146 PolarHBondContact NZ-OD1 2.88Å; K141-D188 IonicContact NZ-OD1 3.97Å; K141-D188 PolarHBondContact NZ-OD1 3.2Å; K141-I191 HydrophobicContact CB-CB 4.22Å; K141-I191 HydrophobicContact CB-CG1 4.35Å
142N93.9Very high95.9Very high35 Ų3550.4 Ų50.419%0.18723%0.229CC..  trans-72.1112175.3-173.5-42.1000109R144 T145 N146 Q147 E149N142-R144 PolarHBondContact O-N 2.77Å; N142-R144 WeakPolarHBondContact OD1-CB 3.46Å; N142-R144 PolarHBondContact OD1-N 2.99Å; N142-T145 WeakPolarHBondContact CB-OG1 3.46Å; N142-T145 PolarHBondContact O-N 2.81Å; N142-T145 PolarHBondContact OD1-N 2.91Å; N142-N146 VanDerWaalsContact O-CA 3.24Å; N142-N146 WeakPolarHBondContact O-CA 3.49Å; N142-N146 PolarHBondContact O-N 2.87Å; N142-Q147 PolarHBondContact N-O 3.15Å; N142-E149 HydrophobicContact CB-CG 4.32Å; N142-E149 PolarHBondContact ND2-OE1 3.26Å
143K89.3Confident95.7Very high183 Ų18350.8 Ų50.880%0.79623%0.231SC*.THydrogen-bonded Turntrans-65-21.5-176.1-63.6-173.7-179.6-177.30113.6K141K141-K143 PolarHBondContact O-N 2.79Å
144R92.5Very high95.5Very high222 Ų22253.1 Ų53.184%0.83824%0.242SC*.THydrogen-bonded Turntrans-84.7-42.8-179.6-175.1-179.865.5160.50.2112.1N142N142-R144 PolarHBondContact O-N 2.77Å; N142-R144 WeakPolarHBondContact OD1-CB 3.46Å; N142-R144 PolarHBondContact OD1-N 2.99Å
145T94.5Very high94.9Very high58 Ų5855 Ų5536%0.35626%0.263SS..THydrogen-bonded Turntrans-96.9-10.8-177.1640000113.2N142 Q147N142-T145 WeakPolarHBondContact CB-OG1 3.46Å; N142-T145 PolarHBondContact O-N 2.81Å; N142-T145 PolarHBondContact OD1-N 2.91Å; T145-Q147 PolarHBondContact O-N 2.77Å; T145-Q147 VanDerWaalsContact O-N 3.17Å; T145-Q147 WeakPolarHBondContact OG1-CB 3.38Å; T145-Q147 PolarHBondContact OG1-N 3.29Å
146N92.8Very high94.3Very high91 Ų9163.6 Ų63.649%0.48731%0.309SS..  trans59.315.1-170.7-158.449.9000113.7K141 N142K141-N146 WeakPolarHBondContact CE-OD1 3.26Å; K141-N146 PolarHBondContact NZ-OD1 2.88Å; N142-N146 VanDerWaalsContact O-CA 3.24Å; N142-N146 WeakPolarHBondContact O-CA 3.49Å; N142-N146 PolarHBondContact O-N 2.87Å
147Q96.6Very high93.9Very high105 Ų10563.4 Ų63.449%0.49131%0.313SS..  trans-90.9149.3179.6-63.7179.5-1500111.5N142 T145 T185N142-Q147 PolarHBondContact N-O 3.15Å; T145-Q147 PolarHBondContact O-N 2.77Å; T145-Q147 VanDerWaalsContact O-N 3.17Å; T145-Q147 WeakPolarHBondContact OG1-CB 3.38Å; T145-Q147 PolarHBondContact OG1-N 3.29Å; Q147-T185 HydrophobicContact CB-CG2 4.29Å; Q147-T185 HydrophobicContact CG-CG2 4.17Å
148V97.8Very high93.3Very high10 Ų1068.8 Ų68.86%0.06134%0.338CS..EExtended strand (participates in β ladder)trans-79.1135168.6-176.50000108.8L139 V181 L184 T185 I191L139-V148 HydrophobicContact CD2-CG1 3.88Å; V148-V181 HydrophobicContact CB-CG1 4.22Å; V148-V181 HydrophobicContact CG1-CG1 4.25Å; V148-V181 WeakPolarHBondContact O-CG1 3.33Å; V148-L184 HydrophobicContact CB-CB 4.35Å; V148-L184 HydrophobicContact CG1-CB 4.31Å; V148-L184 HydrophobicContact CG1-CD1 4.3Å; V148-L184 HydrophobicContact CG2-CB 4Å; V148-T185 WeakPolarHBondContact CB-OG1 3.46Å; V148-T185 PolarHBondContact N-OG1 2.99Å; V148-I191 HydrophobicContact CB-CG1 4.46Å; V148-I191 HydrophobicContact CG1-CD1 3.92Å; V148-I191 HydrophobicContact CG1-CG1 3.99Å; V148-I191 HydrophobicContact CG2-CD1 3.93Å; V148-I191 HydrophobicContact CG2-CG1 3.69Å
149E97.4Very high93.1Very high51 Ų5173 Ų7324%0.23836%0.357CS..EExtended strand (participates in β ladder)trans-118.3143.4174.8-68.2172.9165.500108.8L139 R140 N142 L160 P162L139-E149 WeakPolarHBondContact CA-O 3.34Å; R140-E149 PolarHBondContact N-O 3.39Å; R140-E149 PolarHBondContact O-N 2.81Å; N142-E149 HydrophobicContact CB-CG 4.32Å; N142-E149 PolarHBondContact ND2-OE1 3.26Å; E149-L160 HydrophobicContact CB-CD2 3.91Å; E149-P162 HydrophobicContact CB-CB 4.24Å; E149-P162 HydrophobicContact CB-CG 4.22Å; E149-P162 HydrophobicContact CG-CB 4.34Å; E149-P162 HydrophobicContact CG-CG 4.23Å
150A97.7Very high92.9Very high6 Ų674.1 Ų74.15%0.0536%0.363CS..EExtended strand (participates in β ladder)trans-126.3145.4174.300000110.1F137 Q138 L139 I163 I177 V181F137-A150 HydrophobicContact CB-CB 4.01Å; F137-A150 HydrophobicContact CD2-CB 4.13Å; Q138-A150 WeakPolarHBondContact O-CA 3.27Å; L139-A150 HydrophobicContact CD2-CB 3.88Å; A150-I163 PolarHBondContact O-N 2.87Å; A150-I177 HydrophobicContact CB-CG2 4.02Å; A150-V181 HydrophobicContact CB-CG2 3.44Å; A150-V181 VanDerWaalsContact CB-CG2 3.44Å
151G96.7Very high92.9Very high0 Ų072.2 Ų72.20%036%0.356CS..EExtended strand (participates in β ladder)trans171.9-153.3174.200000113.2F137 Q138 V161F137-G151 CarbonylContact C-O 3.5Å; F137-G151 WeakPolarHBondContact CA-O 3.37Å; Q138-G151 PolarHBondContact N-O 3.06Å; Q138-G151 PolarHBondContact O-N 2.97Å; Q138-G151 VanDerWaalsContact O-N 3.15Å; G151-V161 WeakPolarHBondContact CA-O 3.48Å
152L95.3Very high92.9Very high39 Ų3971.6 Ų71.620%0.20436%0.36CS..EExtended strand (participates in β ladder)trans-112.9166.1-178.7-64.6174.2000109.9F137 V161 I163F137-L152 HydrophobicContact CD1-CD2 4.12Å; F137-L152 HydrophobicContact CD1-CG 4.32Å; F137-L152 HydrophobicContact CE1-CD2 4.32Å; F137-L152 HydrophobicContact CE1-CG 4.18Å; L152-V161 PolarHBondContact N-O 3.12Å; L152-V161 PolarHBondContact O-N 3.4Å; L152-I163 HydrophobicContact CB-CD1 3.88Å; L152-I163 HydrophobicContact CD1-CD1 4.04Å; L152-I163 HydrophobicContact CG-CD1 3.88Å
153Y93.2Very high93Very high47 Ų4770.3 Ų70.318%0.18435%0.352CS..EExtended strand (participates in β ladder)trans-81.2152.2173.2-60.9-46.4000112.1G82 Q138 R140 S157 H158 Q159 L160 E194G82-Y153 PolarHBondContact N-O 2.89Å; Q138-Y153 HydrophobicContact CB-CE1 4.03Å; Q138-Y153 HydrophobicContact CG-CD2 4.4Å; Q138-Y153 HydrophobicContact CG-CE1 4.06Å; Q138-Y153 HydrophobicContact CG-CE2 3.78Å; R140-Y153 PolarHBondContact NH2-OH 3.35Å; Y153-S157 VanDerWaalsContact CB-O 3.24Å; Y153-S157 WeakPolarHBondContact CB-O 3.36Å; Y153-H158 VanDerWaalsContact CD1-C 3.45Å; Y153-H158 WeakPolarHBondContact CD1-O 3.43Å; Y153-H158 HydrophobicContact CE1-CB 4.42Å; Y153-H158 WeakPolarHBondContact CE1-O 3.42Å; Y153-Q159 WeakPolarHBondContact CA-O 3.4Å; Y153-L160 HydrophobicContact CD1-CD1 4.47Å; Y153-L160 HydrophobicContact CE1-CD1 4.38Å; Y153-E194 PolarHBondContact OH-OE1 2.71Å
154Q92.4Very high93.2Very high51 Ų5169.5 Ų69.524%0.23835%0.349CS..BIsolated β-bridgetrans-59.1153163-64.8-176.8-15.800110.2E80 D156 S157 Q159 V161E80-Q154 WeakPolarHBondContact O-CA 3.13Å; E80-Q154 WeakPolarHBondContact O-CG 3.3Å; Q154-D156 PolarHBondContact O-N 3.3Å; Q154-S157 PolarHBondContact O-N 2.87Å; Q154-Q159 HydrophobicContact CG-CB 4.36Å; Q154-Q159 HydrophobicContact CG-CG 4.48Å; Q154-Q159 PolarHBondContact N-O 3.09Å; Q154-V161 HydrophobicContact CB-CG2 4.41Å; Q154-V161 HydrophobicContact CG-CG2 3.36Å
155A84.4Confident93.3Very high68 Ų6863.4 Ų63.456%0.56233%0.333SS*.THydrogen-bonded Turntrans-54.213417500000110.7S157A155-S157 PolarHBondContact O-N 3.12Å; A155-S157 VanDerWaalsContact O-N 3.17Å
156D84.1Confident93.4Very high180 Ų18061.2 Ų61.296%0.96332%0.32SS*.THydrogen-bonded Turntrans55.828.5179-52.2-48.3000115.2Q154Q154-D156 PolarHBondContact O-N 3.3Å
157S88.7Confident93.5Very high46 Ų4658.6 Ų58.632%0.32231%0.306SS..SBendtrans-144165.7-176.6177.70000112Y153 Q154 A155 Q159Y153-S157 VanDerWaalsContact CB-O 3.24Å; Y153-S157 WeakPolarHBondContact CB-O 3.36Å; Q154-S157 PolarHBondContact O-N 2.87Å; A155-S157 PolarHBondContact O-N 3.12Å; A155-S157 VanDerWaalsContact O-N 3.17Å; S157-Q159 VanDerWaalsContact OG-CB 3.26Å; S157-Q159 WeakPolarHBondContact OG-CB 3.34Å; S157-Q159 PolarHBondContact OG-N 3.16Å
158H85.8Confident93.6Very high114 Ų11453.8 Ų53.853%0.52828%0.284SS..  trans-106.817.5165.9-71.1-172.5000111.9Y153 L160 E194Y153-H158 VanDerWaalsContact CD1-C 3.45Å; Y153-H158 WeakPolarHBondContact CD1-O 3.43Å; Y153-H158 HydrophobicContact CE1-CB 4.42Å; Y153-H158 WeakPolarHBondContact CE1-O 3.42Å; H158-L160 PolarHBondContact O-N 3.41Å; H158-E194 IonicContact CE1-OE2 3.76Å; H158-E194 IonicContact CG-OE2 2.77Å; H158-E194 IonicContact ND1-OE2 3.59Å; H158-E194 PolarHBondContact ND1-OE2 3.29Å
159Q91.8Very high93.5Very high114 Ų11453.6 Ų53.653%0.53328%0.282SS..  trans-75.6119.2172.4-178166.3-4.500109.4Y153 Q154 S157Y153-Q159 WeakPolarHBondContact CA-O 3.4Å; Q154-Q159 HydrophobicContact CG-CB 4.36Å; Q154-Q159 HydrophobicContact CG-CG 4.48Å; Q154-Q159 PolarHBondContact N-O 3.09Å; S157-Q159 VanDerWaalsContact OG-CB 3.26Å; S157-Q159 WeakPolarHBondContact OG-CB 3.34Å; S157-Q159 PolarHBondContact OG-N 3.16Å
160L94.5Very high93.5Very high22 Ų2252.6 Ų52.612%0.11528%0.278CS..EExtended strand (participates in β ladder)trans-69.1131.4178.3-169.977.6000110.2Q138 R140 E149 Y153 H158Q138-L160 HydrophobicContact CB-CD1 3.85Å; Q138-L160 WeakPolarHBondContact O-CD1 3.48Å; R140-L160 HydrophobicContact CB-CD2 3.68Å; R140-L160 HydrophobicContact CG-CB 3.86Å; R140-L160 HydrophobicContact CG-CD2 3.74Å; R140-L160 HydrophobicContact CG-CG 4.27Å; E149-L160 HydrophobicContact CB-CD2 3.91Å; Y153-L160 HydrophobicContact CD1-CD1 4.47Å; Y153-L160 HydrophobicContact CE1-CD1 4.38Å; H158-L160 PolarHBondContact O-N 3.41Å
161V95.7Very high93.5Very high2 Ų255.7 Ų55.71%0.01230%0.297CS..EExtended strand (participates in β ladder)trans-98.5111.2162.2-177.50000106.5V77 E80 G151 L152 Q154 I163V77-V161 HydrophobicContact CB-CG1 3.96Å; V77-V161 HydrophobicContact CG1-CG1 4.13Å; V77-V161 HydrophobicContact CG2-CG1 4.45Å; E80-V161 HydrophobicContact CB-CG1 4.3Å; E80-V161 HydrophobicContact CB-CG2 4.04Å; G151-V161 WeakPolarHBondContact CA-O 3.48Å; L152-V161 PolarHBondContact N-O 3.12Å; L152-V161 PolarHBondContact O-N 3.4Å; Q154-V161 HydrophobicContact CB-CG2 4.41Å; Q154-V161 HydrophobicContact CG-CG2 3.36Å; V161-I163 HydrophobicContact CG1-CG1 4.37Å; V161-I163 WeakPolarHBondContact O-CG1 3.37Å; V161-I163 PolarHBondContact O-N 2.86Å
162P96.1Very high93.5Very high60 Ų6057.9 Ų57.939%0.3931%0.31SS..EExtended strand (participates in β ladder)trans-63.8128.4176.1-22.234.4000110.8E149E149-P162 HydrophobicContact CB-CB 4.24Å; E149-P162 HydrophobicContact CB-CG 4.22Å; E149-P162 HydrophobicContact CG-CB 4.34Å; E149-P162 HydrophobicContact CG-CG 4.23Å
163I95.8Very high93.6Very high7 Ų756 Ų564%0.03630%0.301CS..  trans-127.5113.3-175.9-62168.2000109.1V77 F137 A150 L152 V161 D165 C166 Q174V77-I163 HydrophobicContact CG2-CG1 4.28Å; F137-I163 HydrophobicContact CE2-CB 3.9Å; F137-I163 HydrophobicContact CE2-CG2 3.96Å; F137-I163 HydrophobicContact CZ-CB 4.23Å; F137-I163 HydrophobicContact CZ-CG2 3.98Å; A150-I163 PolarHBondContact O-N 2.87Å; L152-I163 HydrophobicContact CB-CD1 3.88Å; L152-I163 HydrophobicContact CD1-CD1 4.04Å; L152-I163 HydrophobicContact CG-CD1 3.88Å; V161-I163 HydrophobicContact CG1-CG1 4.37Å; V161-I163 WeakPolarHBondContact O-CG1 3.37Å; V161-I163 PolarHBondContact O-N 2.86Å; I163-D165 WeakPolarHBondContact CG2-O 3.35Å; I163-C166 HydrophobicContact CG2-CB 3.8Å; I163-Q174 PolarHBondContact O-NE2 3Å
164K94.4Very high93.8Very high166 Ų16654.1 Ų54.172%0.72229%0.294SS*.SBendtrans-96.2-22.8173.2-65.7-174.6178.9-178.30113Q174 N178K164-Q174 VanDerWaalsContact O-CD 3.32Å; K164-Q174 VanDerWaalsContact O-CG 3.28Å; K164-Q174 WeakPolarHBondContact O-CG 3.25Å; K164-Q174 PolarHBondContact O-NE2 3.38Å; K164-Q174 VanDerWaalsContact O-NE2 3.11Å; K164-N178 PolarHBondContact O-ND2 3.41Å; K164-N178 PolarHBondContact O-OD1 2.96Å
165D94.2Very high94.1Very high94 Ų9456.4 Ų56.450%0.50330%0.303SS..  trans-143.4122.8179.4-174.415.4000109.2I163I163-D165 WeakPolarHBondContact CG2-O 3.35Å
166C96.1Very high94.7Very high13 Ų1353.2 Ų53.29%0.08828%0.276CS..  trans-125.3103.3-177.2-171.60000108.6F137 I163 V168 Q169F137-C166 HydrophobicContact CZ-CB 4.26Å; I163-C166 HydrophobicContact CG2-CB 3.8Å; C166-V168 PolarHBondContact O-N 3.29Å; C166-Q169 HydrophobicContact CB-CB 4.04Å; C166-Q169 HydrophobicContact CB-CG 3.77Å; C166-Q169 PolarHBondContact O-N 3.11Å; C166-Q169 VanDerWaalsContact SG-CG 3.6Å
167L95.9Very high95.4Very high35 Ų3544.6 Ų44.618%0.18323%0.23CC..THydrogen-bonded Turntrans-59.3-18.1-172.2-62.2179.1000115P74 C75 W129 H130P74-L167 HydrophobicContact CB-CD1 3.78Å; P74-L167 HydrophobicContact CG-CD1 3.8Å; C75-L167 HydrophobicContact CB-CD1 4.05Å; W129-L167 HydrophobicContact CD2-CB 4.47Å; W129-L167 HydrophobicContact CE3-CB 3.59Å; W129-L167 HydrophobicContact CE3-CD1 4.47Å; W129-L167 HydrophobicContact CZ3-CB 3.83Å; W129-L167 HydrophobicContact CZ3-CD1 4.18Å; H130-L167 PolarHBondContact N-O 2.74Å
168V97.1Very high95.8Very high4 Ų444.8 Ų44.82%0.02423%0.227CC..THydrogen-bonded Turntrans-94.9-7.4177.1-61.20000113.1W129 Y131 R132 C166 Q444W129-V168 HydrophobicContact CE3-CG1 4.18Å; W129-V168 HydrophobicContact CZ3-CG1 4.26Å; Y131-V168 HydrophobicContact CD1-CB 4.46Å; Y131-V168 HydrophobicContact CE1-CB 3.77Å; Y131-V168 HydrophobicContact CE1-CG1 3.76Å; Y131-V168 PolarHBondContact N-O 3.03Å; R132-V168 VanDerWaalsContact CB-O 3.23Å; R132-V168 WeakPolarHBondContact CB-O 3.47Å; R132-V168 VanDerWaalsContact CG-O 3.31Å; R132-V168 WeakPolarHBondContact CG-O 3.41Å; R132-V168 PolarHBondContact N-O 3.45Å; C166-V168 PolarHBondContact O-N 3.29Å; V168-Q444 HydrophobicContact CG1-CB 4.41Å; V168-Q444 HydrophobicContact CG1-CG 4.12Å
169Q97.2Very high96.4Very high6 Ų640.6 Ų40.63%0.02821%0.21CC..BIsolated β-bridgetrans-93.4146.4178.8-67.9-71.2-10.400111H130 R132 K134 A135 C166H130-Q169 PolarHBondContact ND1-O 3.15Å; H130-Q169 VanDerWaalsContact ND1-O 3.12Å; R132-Q169 VanDerWaalsContact CB-OE1 3.3Å; R132-Q169 PolarHBondContact O-OE1 3.42Å; R132-Q169 VanDerWaalsContact O-OE1 3.13Å; K134-Q169 PolarHBondContact O-NE2 3.44Å; K134-Q169 PolarHBondContact O-OE1 2.92Å; A135-Q169 HydrophobicContact CB-CG 4.46Å; C166-Q169 HydrophobicContact CB-CB 4.04Å; C166-Q169 HydrophobicContact CB-CG 3.77Å; C166-Q169 PolarHBondContact O-N 3.11Å; C166-Q169 VanDerWaalsContact SG-CG 3.6Å
170E97.2Very high96.8Very high31 Ų3135.2 Ų35.215%0.14519%0.185CC..  trans-55126.1169.8-81.9-66.1163.100109.9H130 R132 T172 T173 Q174 I208 V210H130-E170 WeakPolarHBondContact O-CA 3.36Å; H130-E170 WeakPolarHBondContact O-CG 3.24Å; H130-E170 PolarHBondContact O-N 2.86Å; R132-E170 WeakPolarHBondContact O-CB 3.23Å; R132-E170 VanDerWaalsContact O-CG 3.3Å; R132-E170 WeakPolarHBondContact O-CG 3.31Å; R132-E170 PolarHBondContact O-N 3.21Å; E170-T172 PolarHBondContact O-N 3.43Å; E170-T172 VanDerWaalsContact O-N 3.11Å; E170-T173 HydrophobicContact CB-CG2 3.92Å; E170-T173 PolarHBondContact O-N 2.92Å; E170-T173 PolarHBondContact O-OG1 2.9Å; E170-Q174 PolarHBondContact O-N 3.24Å; E170-I208 HydrophobicContact CB-CG2 4.01Å; E170-I208 HydrophobicContact CG-CG2 3.91Å; E170-V210 HydrophobicContact CG-CG2 4.36Å
171P96.8Very high96.9Very high71 Ų7134.8 Ų34.846%0.46118%0.183SC..Hα-helixtrans-53-36.9-176.3-29.735.4000113.6T173 Q174 K175P171-T173 PolarHBondContact O-N 3.03Å; P171-Q174 PolarHBondContact O-N 3.38Å; P171-K175 WeakPolarHBondContact O-CB 3.42Å; P171-K175 PolarHBondContact O-N 3.41Å
172T97.4Very high97Very high45 Ų4539.8 Ų39.828%0.27621%0.21SC..Hα-helixtrans-62.7-42.2177.5-560000112E170 Q174 K175 V176 I208 V215 E242E170-T172 PolarHBondContact O-N 3.43Å; E170-T172 VanDerWaalsContact O-N 3.11Å; T172-Q174 VanDerWaalsContact C-N 3.32Å; T172-Q174 PolarHBondContact O-N 3.21Å; T172-K175 PolarHBondContact O-N 2.86Å; T172-V176 WeakPolarHBondContact O-CG2 3.4Å; T172-V176 PolarHBondContact O-N 3.03Å; T172-I208 HydrophobicContact CG2-CD1 4Å; T172-V215 HydrophobicContact CG2-CG2 3.77Å; T172-E242 HydrophobicContact CG2-CG 3.95Å
173T97.6Very high97.1Very high0 Ų037 Ų370%019%0.192CC..Hα-helixtrans-64.5-39.3178.368.80000111.4E170 P171 V176 I177 V206 I208E170-T173 HydrophobicContact CB-CG2 3.92Å; E170-T173 PolarHBondContact O-N 2.92Å; E170-T173 PolarHBondContact O-OG1 2.9Å; P171-T173 PolarHBondContact O-N 3.03Å; T173-V176 PolarHBondContact O-N 2.91Å; T173-I177 WeakPolarHBondContact O-CG1 3.43Å; T173-I177 PolarHBondContact O-N 2.93Å; T173-V206 HydrophobicContact CG2-CG1 4.16Å; T173-I208 HydrophobicContact CG2-CB 4.18Å; T173-I208 HydrophobicContact CG2-CG2 3.7Å
174Q96.7Very high97.2Very high8 Ų836.7 Ų36.74%0.03719%0.19CC..Hα-helixtrans-68.1-42.1176.9-17265.562.500111.8I163 K164 E170 P171 T172 V176 I177 N178I163-Q174 PolarHBondContact O-NE2 3Å; K164-Q174 VanDerWaalsContact O-CD 3.32Å; K164-Q174 VanDerWaalsContact O-CG 3.28Å; K164-Q174 WeakPolarHBondContact O-CG 3.25Å; K164-Q174 PolarHBondContact O-NE2 3.38Å; K164-Q174 VanDerWaalsContact O-NE2 3.11Å; E170-Q174 PolarHBondContact O-N 3.24Å; P171-Q174 PolarHBondContact O-N 3.38Å; T172-Q174 VanDerWaalsContact C-N 3.32Å; T172-Q174 PolarHBondContact O-N 3.21Å; Q174-V176 VanDerWaalsContact C-N 3.33Å; Q174-V176 PolarHBondContact O-N 3.35Å; Q174-I177 PolarHBondContact O-N 2.95Å; Q174-N178 PolarHBondContact NE2-OD1 3.17Å; Q174-N178 WeakPolarHBondContact O-CB 3.17Å; Q174-N178 VanDerWaalsContact O-CG 3.23Å; Q174-N178 PolarHBondContact O-N 3.01Å; Q174-N178 PolarHBondContact O-ND2 3.17Å
175K97.7Very high97.4Very high99 Ų9930.8 Ų30.843%0.4317%0.168SC..Hα-helixtrans-56-47.1173.9177.9-168.8170.4-155.20111.3P171 T172 T179 L240 E242P171-K175 WeakPolarHBondContact O-CB 3.42Å; P171-K175 PolarHBondContact O-N 3.41Å; T172-K175 PolarHBondContact O-N 2.86Å; K175-T179 WeakPolarHBondContact O-CB 3.48Å; K175-T179 PolarHBondContact O-N 3.3Å; K175-T179 PolarHBondContact O-OG1 3.25Å; K175-L240 HydrophobicContact CD-CD2 4.45Å; K175-L240 HydrophobicContact CG-CD2 4.31Å; K175-E242 WeakPolarHBondContact CD-OE1 3.35Å; K175-E242 WeakPolarHBondContact CE-OE1 3.47Å; K175-E242 IonicContact NZ-OE1 3.75Å; K175-E242 PolarHBondContact NZ-OE1 3.29Å; K175-E242 IonicContact NZ-OE2 3.91Å; K175-E242 PolarHBondContact NZ-OE2 3.13Å
176V98.4Very high97.5Very high0 Ų032.2 Ų32.20%017%0.17CC..Hα-helixtrans-61.9-50.4178170.60000110.7T172 T173 Q174 N178 T179 V180 V206 V215 L217 L240 I243T172-V176 WeakPolarHBondContact O-CG2 3.4Å; T172-V176 PolarHBondContact O-N 3.03Å; T173-V176 PolarHBondContact O-N 2.91Å; Q174-V176 VanDerWaalsContact C-N 3.33Å; Q174-V176 PolarHBondContact O-N 3.35Å; V176-N178 PolarHBondContact O-N 3.42Å; V176-T179 PolarHBondContact O-N 3.08Å; V176-V180 HydrophobicContact CG1-CG2 4.19Å; V176-V180 VanDerWaalsContact O-CG2 3.28Å; V176-V180 WeakPolarHBondContact O-CG2 3.5Å; V176-V180 PolarHBondContact O-N 3.29Å; V176-V206 HydrophobicContact CB-CG1 4.01Å; V176-V206 HydrophobicContact CB-CG2 4.2Å; V176-V206 HydrophobicContact CG1-CB 4.44Å; V176-V206 HydrophobicContact CG1-CG1 3.9Å; V176-V206 HydrophobicContact CG1-CG2 3.61Å; V176-V206 HydrophobicContact CG2-CG1 4.41Å; V176-V215 HydrophobicContact CG2-CG1 4.16Å; V176-L217 HydrophobicContact CG1-CD1 4.38Å; V176-L240 HydrophobicContact CB-CD1 4.28Å; V176-L240 HydrophobicContact CG1-CD1 4.09Å; V176-L240 HydrophobicContact CG2-CD1 4.15Å; V176-L240 HydrophobicContact CG2-CD2 4.29Å; V176-I243 HydrophobicContact CG1-CD1 3.78Å; V176-I243 HydrophobicContact CG2-CD1 4.16Å; V176-I243 HydrophobicContact CG2-CG1 4.19Å
177I98.3Very high97.5Very high0 Ų033.7 Ų33.70%017%0.174CC..Hα-helixtrans-56-52.1178.8-73.9177.1000111A135 F137 A150 T173 Q174 T179 V180 V181 V206A135-I177 HydrophobicContact CB-CD1 3.42Å; A135-I177 VanDerWaalsContact CB-CD1 3.42Å; F137-I177 HydrophobicContact CB-CD1 4.17Å; F137-I177 HydrophobicContact CD1-CD1 4.25Å; F137-I177 HydrophobicContact CD2-CD1 3.88Å; F137-I177 HydrophobicContact CD2-CG2 3.77Å; F137-I177 HydrophobicContact CE2-CD1 4.28Å; F137-I177 HydrophobicContact CE2-CG2 4.37Å; F137-I177 HydrophobicContact CG-CD1 3.83Å; F137-I177 HydrophobicContact CG-CG2 4.47Å; A150-I177 HydrophobicContact CB-CG2 4.02Å; T173-I177 WeakPolarHBondContact O-CG1 3.43Å; T173-I177 PolarHBondContact O-N 2.93Å; Q174-I177 PolarHBondContact O-N 2.95Å; I177-T179 VanDerWaalsContact C-N 3.28Å; I177-T179 PolarHBondContact O-N 3.11Å; I177-V180 PolarHBondContact O-N 3.1Å; I177-V181 HydrophobicContact CG2-CG2 4.16Å; I177-V181 WeakPolarHBondContact O-CB 3.23Å; I177-V181 WeakPolarHBondContact O-CG2 3.5Å; I177-V181 PolarHBondContact O-N 3.39Å; I177-V206 HydrophobicContact CD1-CG2 4.28Å; I177-V206 HydrophobicContact CG1-CB 4.38Å; I177-V206 HydrophobicContact CG1-CG2 3.58Å
178N98Very high97.5Very high49 Ų4936.5 Ų36.526%0.26219%0.189SC..Hα-helixtrans-58.4-42.7-177.9-71.5-16.2000111.7K164 Q174 V176 N182K164-N178 PolarHBondContact O-ND2 3.41Å; K164-N178 PolarHBondContact O-OD1 2.96Å; Q174-N178 PolarHBondContact NE2-OD1 3.17Å; Q174-N178 WeakPolarHBondContact O-CB 3.17Å; Q174-N178 VanDerWaalsContact O-CG 3.23Å; Q174-N178 PolarHBondContact O-N 3.01Å; Q174-N178 PolarHBondContact O-ND2 3.17Å; V176-N178 PolarHBondContact O-N 3.42Å; N178-N182 VanDerWaalsContact O-CG 3.29Å; N178-N182 PolarHBondContact O-N 2.72Å; N178-N182 VanDerWaalsContact O-N 3.15Å; N178-N182 PolarHBondContact O-ND2 2.68Å
179T98.3Very high97.4Very high27 Ų2736.4 Ų36.417%0.16619%0.188CC..Hα-helixtrans-65.9-47.2178.9-58.10000111.1K175 V176 I177 V181 N182 L183 R239 L240K175-T179 WeakPolarHBondContact O-CB 3.48Å; K175-T179 PolarHBondContact O-N 3.3Å; K175-T179 PolarHBondContact O-OG1 3.25Å; V176-T179 PolarHBondContact O-N 3.08Å; I177-T179 VanDerWaalsContact C-N 3.28Å; I177-T179 PolarHBondContact O-N 3.11Å; T179-V181 PolarHBondContact O-N 3Å; T179-N182 PolarHBondContact O-N 2.84Å; T179-L183 WeakPolarHBondContact O-CG 3.22Å; T179-L183 PolarHBondContact O-N 3.36Å; T179-L183 VanDerWaalsContact O-N 3.1Å; T179-R239 HydrophobicContact CG2-CB 4.21Å; T179-L240 HydrophobicContact CG2-CD1 3.88Å; T179-L240 HydrophobicContact CG2-CD2 4.17Å; T179-L240 HydrophobicContact CG2-CG 4.03Å
180V98.3Very high97.4Very high0 Ų038.5 Ų38.50%020%0.203CC..Hα-helixtrans-62.6-43.4178.71760000110.5V176 I177 N182 L183 L184 L204 L217 I236 L240V176-V180 HydrophobicContact CG1-CG2 4.19Å; V176-V180 VanDerWaalsContact O-CG2 3.28Å; V176-V180 WeakPolarHBondContact O-CG2 3.5Å; V176-V180 PolarHBondContact O-N 3.29Å; I177-V180 PolarHBondContact O-N 3.1Å; V180-N182 VanDerWaalsContact C-N 3.31Å; V180-N182 PolarHBondContact O-N 2.55Å; V180-L183 CarbonylContact O-C 3.46Å; V180-L183 WeakPolarHBondContact O-CA 3.46Å; V180-L183 WeakPolarHBondContact O-CB 3.44Å; V180-L183 PolarHBondContact O-N 2.84Å; V180-L184 HydrophobicContact CG1-CD1 4.48Å; V180-L184 HydrophobicContact CG1-CD2 4.3Å; V180-L184 HydrophobicContact CG1-CG 4.15Å; V180-L184 WeakPolarHBondContact O-CG 3.22Å; V180-L184 PolarHBondContact O-N 2.91Å; V180-L204 HydrophobicContact CB-CD1 3.95Å; V180-L204 HydrophobicContact CG1-CD1 3.59Å; V180-L204 HydrophobicContact CG1-CD2 3.89Å; V180-L204 HydrophobicContact CG1-CG 4.41Å; V180-L217 HydrophobicContact CG2-CD1 4.32Å; V180-L217 HydrophobicContact CG2-CD2 3.75Å; V180-I236 HydrophobicContact CG2-CD1 4.16Å; V180-I236 HydrophobicContact CG2-CG1 4.28Å; V180-L240 HydrophobicContact CG2-CD1 4.4Å
181V98.2Very high97.4Very high13 Ų1337.8 Ų37.88%0.07920%0.2CC..Hα-helixtrans-56.9-42.4176.5168.90000112.4L139 V148 A150 I177 T179 L183 L184 T185 L204L139-V181 HydrophobicContact CD2-CG2 4.2Å; V148-V181 HydrophobicContact CB-CG1 4.22Å; V148-V181 HydrophobicContact CG1-CG1 4.25Å; V148-V181 WeakPolarHBondContact O-CG1 3.33Å; A150-V181 HydrophobicContact CB-CG2 3.44Å; A150-V181 VanDerWaalsContact CB-CG2 3.44Å; I177-V181 HydrophobicContact CG2-CG2 4.16Å; I177-V181 WeakPolarHBondContact O-CB 3.23Å; I177-V181 WeakPolarHBondContact O-CG2 3.5Å; I177-V181 PolarHBondContact O-N 3.39Å; T179-V181 PolarHBondContact O-N 3Å; V181-L183 VanDerWaalsContact C-N 3.31Å; V181-L183 PolarHBondContact O-N 3.38Å; V181-L184 PolarHBondContact O-N 3.15Å; V181-T185 PolarHBondContact O-N 3.15Å; V181-T185 PolarHBondContact O-OG1 3.41Å; V181-T185 VanDerWaalsContact O-OG1 3.06Å; V181-L204 HydrophobicContact CG2-CD1 3.92Å
182N97.8Very high97.4Very high108 Ų10834.6 Ų34.658%0.57818%0.178SC*.Hα-helixtrans-63.2-38.9174.9-69.6-25.6000111.5N178 T179 V180 T185 K186N178-N182 VanDerWaalsContact O-CG 3.29Å; N178-N182 PolarHBondContact O-N 2.72Å; N178-N182 VanDerWaalsContact O-N 3.15Å; N178-N182 PolarHBondContact O-ND2 2.68Å; T179-N182 PolarHBondContact O-N 2.84Å; V180-N182 VanDerWaalsContact C-N 3.31Å; V180-N182 PolarHBondContact O-N 2.55Å; N182-T185 WeakPolarHBondContact O-CB 3.32Å; N182-T185 PolarHBondContact O-N 3.34Å; N182-K186 WeakPolarHBondContact O-CB 3.38Å; N182-K186 PolarHBondContact O-N 3.2Å
183L98.1Very high97.2Very high2 Ų234.5 Ų34.51%0.0118%0.176CC..Hα-helixtrans-68.1-41.5175.1-63.4177.5000112.3T179 V180 V181 T185 K186 Y187 L232 E235 I236T179-L183 WeakPolarHBondContact O-CG 3.22Å; T179-L183 PolarHBondContact O-N 3.36Å; T179-L183 VanDerWaalsContact O-N 3.1Å; V180-L183 CarbonylContact O-C 3.46Å; V180-L183 WeakPolarHBondContact O-CA 3.46Å; V180-L183 WeakPolarHBondContact O-CB 3.44Å; V180-L183 PolarHBondContact O-N 2.84Å; V181-L183 VanDerWaalsContact C-N 3.31Å; V181-L183 PolarHBondContact O-N 3.38Å; L183-T185 PolarHBondContact O-N 2.91Å; L183-K186 HydrophobicContact CD2-CD 4.27Å; L183-K186 PolarHBondContact O-N 3.37Å; L183-K186 VanDerWaalsContact O-N 3.16Å; L183-Y187 HydrophobicContact CB-CD2 4.35Å; L183-Y187 HydrophobicContact CD2-CE2 4.47Å; L183-Y187 WeakPolarHBondContact O-CB 3.48Å; L183-Y187 VanDerWaalsContact O-CD2 3.28Å; L183-Y187 WeakPolarHBondContact O-CD2 3.29Å; L183-Y187 PolarHBondContact O-N 3.11Å; L183-L232 HydrophobicContact CB-CD1 3.74Å; L183-L232 HydrophobicContact CD1-CD1 4.33Å; L183-E235 HydrophobicContact CD1-CB 4.36Å; L183-E235 HydrophobicContact CD1-CG 4.16Å; L183-E235 HydrophobicContact CD2-CB 4.41Å; L183-E235 HydrophobicContact CD2-CG 3.64Å; L183-E235 WeakPolarHBondContact CD2-OE1 3.35Å; L183-I236 HydrophobicContact CD1-CG1 3.57Å
184L98Very high96.8Very high0 Ų036.6 Ų36.60%019%0.186CC..Hα-helixtrans-58.8-36.8174.8-60.7-171.4000111.3L139 V148 V180 V181 D188 L189 I191 L201 L204 L232L139-L184 HydrophobicContact CD1-CD1 3.64Å; L139-L184 HydrophobicContact CD2-CD1 4.09Å; V148-L184 HydrophobicContact CB-CB 4.35Å; V148-L184 HydrophobicContact CG1-CB 4.31Å; V148-L184 HydrophobicContact CG1-CD1 4.3Å; V148-L184 HydrophobicContact CG2-CB 4Å; V180-L184 HydrophobicContact CG1-CD1 4.48Å; V180-L184 HydrophobicContact CG1-CD2 4.3Å; V180-L184 HydrophobicContact CG1-CG 4.15Å; V180-L184 WeakPolarHBondContact O-CG 3.22Å; V180-L184 PolarHBondContact O-N 2.91Å; V181-L184 PolarHBondContact O-N 3.15Å; L184-D188 PolarHBondContact O-N 3.47Å; L184-L189 HydrophobicContact CD2-CD1 3.68Å; L184-L189 PolarHBondContact O-N 2.88Å; L184-I191 HydrophobicContact CD1-CD1 4.14Å; L184-L201 HydrophobicContact CD1-CD1 4.21Å; L184-L201 HydrophobicContact CD2-CD1 3.7Å; L184-L201 HydrophobicContact CG-CD1 4.5Å; L184-L204 HydrophobicContact CD1-CD1 4.28Å; L184-L204 HydrophobicContact CD1-CD2 4.41Å; L184-L232 HydrophobicContact CD2-CD1 4.42Å; L184-L232 HydrophobicContact CD2-CD2 4.21Å
185T97.3Very high96.4Very high42 Ų4247.4 Ų47.426%0.25823%0.226SC..Hα-helixtrans-68.8-48.7173.3-57.10000111.7Q147 V148 V181 N182 L183 Y187 D188Q147-T185 HydrophobicContact CB-CG2 4.29Å; Q147-T185 HydrophobicContact CG-CG2 4.17Å; V148-T185 WeakPolarHBondContact CB-OG1 3.46Å; V148-T185 PolarHBondContact N-OG1 2.99Å; V181-T185 PolarHBondContact O-N 3.15Å; V181-T185 PolarHBondContact O-OG1 3.41Å; V181-T185 VanDerWaalsContact O-OG1 3.06Å; N182-T185 WeakPolarHBondContact O-CB 3.32Å; N182-T185 PolarHBondContact O-N 3.34Å; L183-T185 PolarHBondContact O-N 2.91Å; T185-Y187 VanDerWaalsContact C-N 3.3Å; T185-Y187 PolarHBondContact O-N 2.86Å; T185-D188 PolarHBondContact O-N 3.27Å; T185-D188 VanDerWaalsContact O-N 3.09Å
186K97Very high96.1Very high124 Ų12446 Ų4654%0.53923%0.229SC..Hα-helixtrans-56.9-42.8179.9178.9-169.6176.7-165.80112.4N182 L183 D188 E235N182-K186 WeakPolarHBondContact O-CB 3.38Å; N182-K186 PolarHBondContact O-N 3.2Å; L183-K186 HydrophobicContact CD2-CD 4.27Å; L183-K186 PolarHBondContact O-N 3.37Å; L183-K186 VanDerWaalsContact O-N 3.16Å; K186-D188 VanDerWaalsContact C-N 3.3Å; K186-E235 IonicContact NZ-OE1 2.79Å; K186-E235 PolarHBondContact NZ-OE1 3.33Å; K186-E235 IonicContact NZ-OE2 3.58Å; K186-E235 PolarHBondContact NZ-OE2 3.44Å
187Y96.5Very high95.8Very high44 Ų4448.7 Ų48.717%0.17324%0.244CC..THydrogen-bonded Turntrans-86.71.9-178.9-75.4-64.2000113.3L183 T185 L189 Q228 A231 L232 E235L183-Y187 HydrophobicContact CB-CD2 4.35Å; L183-Y187 HydrophobicContact CD2-CE2 4.47Å; L183-Y187 WeakPolarHBondContact O-CB 3.48Å; L183-Y187 VanDerWaalsContact O-CD2 3.28Å; L183-Y187 WeakPolarHBondContact O-CD2 3.29Å; L183-Y187 PolarHBondContact O-N 3.11Å; T185-Y187 VanDerWaalsContact C-N 3.3Å; T185-Y187 PolarHBondContact O-N 2.86Å; Y187-L189 PolarHBondContact O-N 2.76Å; Y187-Q228 VanDerWaalsContact CB-OE1 3.23Å; Y187-Q228 HydrophobicContact CD1-CB 4.36Å; Y187-Q228 PolarHBondContact O-OE1 2.89Å; Y187-A231 HydrophobicContact CE1-CB 4Å; Y187-A231 PolarHBondContact OH-O 2.92Å; Y187-L232 HydrophobicContact CD2-CD1 3.95Å; Y187-L232 HydrophobicContact CE2-CD1 4.22Å; Y187-E235 VanDerWaalsContact CE2-OE2 3.26Å; Y187-E235 WeakPolarHBondContact CE2-OE2 3.48Å; Y187-E235 VanDerWaalsContact CZ-OE2 3.32Å; Y187-E235 PolarHBondContact OH-OE2 3.43Å
188D95.2Very high95.6Very high93 Ų9351.6 Ų51.650%0.49726%0.264SS..THydrogen-bonded Turntrans45.445-176-165.331.3000113.2K141 L184 T185 K186K141-D188 IonicContact NZ-OD1 3.97Å; K141-D188 PolarHBondContact NZ-OD1 3.2Å; L184-D188 PolarHBondContact O-N 3.47Å; T185-D188 PolarHBondContact O-N 3.27Å; T185-D188 VanDerWaalsContact O-N 3.09Å; K186-D188 VanDerWaalsContact C-N 3.3Å
189L96.2Very high95.4Very high2 Ų250.4 Ų50.41%0.0126%0.263CS..  trans-72.2139.6-175.4-64.8-178.2000111L184 Y187 I191 L201 P227 Q228 L232L184-L189 HydrophobicContact CD2-CD1 3.68Å; L184-L189 PolarHBondContact O-N 2.88Å; Y187-L189 PolarHBondContact O-N 2.76Å; L189-I191 PolarHBondContact O-N 2.84Å; L189-I191 VanDerWaalsContact O-N 3.09Å; L189-L201 HydrophobicContact CB-CD1 3.71Å; L189-L201 HydrophobicContact CD1-CD1 4.05Å; L189-P227 HydrophobicContact CD2-CB 3.95Å; L189-P227 VanDerWaalsContact CD2-O 3.29Å; L189-P227 WeakPolarHBondContact CD2-O 3.24Å; L189-Q228 HydrophobicContact CD2-CB 4.39Å; L189-L232 HydrophobicContact CD1-CD1 4.47Å; L189-L232 HydrophobicContact CD1-CD2 3.78Å
190P96.5Very high95.4Very high51 Ų5150.1 Ų50.133%0.33126%0.26SS..  trans-69.2111-175.325.9-34.1000111.5I200 L201 P227P190-I200 HydrophobicContact CB-CG1 4.24Å; P190-I200 HydrophobicContact CG-CB 3.95Å; P190-I200 HydrophobicContact CG-CD1 3.44Å; P190-I200 VanDerWaalsContact CG-CD1 3.44Å; P190-I200 HydrophobicContact CG-CG1 3.6Å; P190-I200 WeakPolarHBondContact O-CA 3.48Å; P190-I200 WeakPolarHBondContact O-CB 3.13Å; P190-I200 PolarHBondContact O-N 2.95Å; P190-L201 PolarHBondContact O-N 3.48Å; P190-P227 HydrophobicContact CG-CG 4.28Å
191I97.4Very high95.4Very high16 Ų1650.1 Ų50.18%0.08226%0.26CS..BIsolated β-bridgetrans-85.3141.3176.5-53.1-51.2000110.5L139 K141 V148 L184 L189 L201L139-I191 HydrophobicContact CB-CG2 3.63Å; L139-I191 HydrophobicContact CD1-CD1 4.24Å; K141-I191 HydrophobicContact CB-CB 4.22Å; K141-I191 HydrophobicContact CB-CG1 4.35Å; V148-I191 HydrophobicContact CB-CG1 4.46Å; V148-I191 HydrophobicContact CG1-CD1 3.92Å; V148-I191 HydrophobicContact CG1-CG1 3.99Å; V148-I191 HydrophobicContact CG2-CD1 3.93Å; V148-I191 HydrophobicContact CG2-CG1 3.69Å; L184-I191 HydrophobicContact CD1-CD1 4.14Å; L189-I191 PolarHBondContact O-N 2.84Å; L189-I191 VanDerWaalsContact O-N 3.09Å; I191-L201 HydrophobicContact CD1-CB 3.88Å; I191-L201 HydrophobicContact CD1-CD1 4.2Å
192Y96.1Very high95.3Very high4 Ų450.1 Ų50.12%0.01626%0.259CS..  trans-68.6133.2-179.9-178.9-111.6000112.5E194 N197 S198 L201 R202 K222Y192-E194 HydrophobicContact CD1-CG 4.12Å; Y192-E194 HydrophobicContact CE1-CB 4.28Å; Y192-E194 HydrophobicContact CE1-CG 3.5Å; Y192-N197 WeakPolarHBondContact CE2-OD1 3.34Å; Y192-N197 PolarHBondContact OH-OD1 3.14Å; Y192-S198 CarbonylContact C-O 3.57Å; Y192-S198 VanDerWaalsContact CA-O 3.27Å; Y192-S198 WeakPolarHBondContact CA-O 3.39Å; Y192-S198 VanDerWaalsContact CD2-O 3.29Å; Y192-S198 WeakPolarHBondContact CD2-O 3.48Å; Y192-L201 WeakPolarHBondContact CB-O 3.26Å; Y192-L201 PolarHBondContact N-O 3.43Å; Y192-R202 HydrophobicContact CD1-CB 4.39Å; Y192-R202 HydrophobicContact CD1-CG 3.81Å; Y192-R202 HydrophobicContact CD2-CG 4.36Å; Y192-R202 HydrophobicContact CG-CG 3.7Å; Y192-K222 HydrophobicContact CD2-CB 4.43Å; Y192-K222 HydrophobicContact CD2-CD 4.08Å; Y192-K222 HydrophobicContact CE2-CD 3.91Å; Y192-K222 HydrophobicContact CE2-CG 4.4Å
193D93.1Very high95.4Very high43 Ų4345.1 Ų45.123%0.2323%0.232CC..BIsolated β-bridgetrans-115.1114.4171-176.1-33.6000108.9R195 S196 N197 S198D193-R195 PolarHBondContact O-N 2.99Å; D193-R195 WeakPolarHBondContact OD1-CA 3.11Å; D193-R195 VanDerWaalsContact OD1-CB 3.29Å; D193-R195 WeakPolarHBondContact OD1-CB 3.48Å; D193-R195 PolarHBondContact OD1-N 2.61Å; D193-S196 WeakPolarHBondContact CB-OG 3.39Å; D193-S196 PolarHBondContact OD1-N 2.63Å; D193-N197 VanDerWaalsContact O-CA 3.23Å; D193-N197 WeakPolarHBondContact O-CA 3.3Å; D193-N197 PolarHBondContact O-N 2.73Å; D193-S198 PolarHBondContact N-O 2.76Å; D193-S198 PolarHBondContact O-N 3.47Å
194E89.3Confident95.4Very high43 Ų4345 Ų4520%0.20123%0.232CC..THydrogen-bonded Turntrans-61.3-28.2-179.4-78.3173.9-153.800113.7R140 Y153 H158 Y192 K254R140-E194 IonicContact CZ-OE1 3.07Å; R140-E194 IonicContact NH1-OE1 2.76Å; R140-E194 IonicContact NH2-OE1 2.75Å; R140-E194 PolarHBondContact NH2-OE1 3.18Å; R140-E194 IonicContact NH2-OE2 2.65Å; Y153-E194 PolarHBondContact OH-OE1 2.71Å; H158-E194 IonicContact CE1-OE2 3.76Å; H158-E194 IonicContact CG-OE2 2.77Å; H158-E194 IonicContact ND1-OE2 3.59Å; H158-E194 PolarHBondContact ND1-OE2 3.29Å; Y192-E194 HydrophobicContact CD1-CG 4.12Å; Y192-E194 HydrophobicContact CE1-CB 4.28Å; Y192-E194 HydrophobicContact CE1-CG 3.5Å; E194-K254 WeakPolarHBondContact O-CE 3.36Å; E194-K254 PolarHBondContact O-NZ 3.44Å; E194-K254 VanDerWaalsContact O-NZ 3.15Å
195R88.4Confident95.4Very high235 Ų23545 Ų4589%0.88723%0.232SC*.THydrogen-bonded Turntrans-74.2-50.2-177.6-63.2-176.9176.9-175.60.2110.5D193 N197D193-R195 PolarHBondContact O-N 2.99Å; D193-R195 WeakPolarHBondContact OD1-CA 3.11Å; D193-R195 VanDerWaalsContact OD1-CB 3.29Å; D193-R195 WeakPolarHBondContact OD1-CB 3.48Å; D193-R195 PolarHBondContact OD1-N 2.61Å; R195-N197 VanDerWaalsContact C-N 3.32Å
196S92.4Very high95.4Very high71 Ų7143 Ų4350%0.49722%0.219SC..THydrogen-bonded Turntrans-82.8-10.7176.457.10000113.4D193 S198D193-S196 WeakPolarHBondContact CB-OG 3.39Å; D193-S196 PolarHBondContact OD1-N 2.63Å; S196-S198 PolarHBondContact O-N 2.93Å; S196-S198 PolarHBondContact OG-OG 2.88Å
197N92.1Very high95.5Very high56 Ų5637.1 Ų37.130%0.29919%0.194SC..THydrogen-bonded Turntrans51.837.8-172.7-166.532.1000112.5Y192 D193 R195 K222Y192-N197 WeakPolarHBondContact CE2-OD1 3.34Å; Y192-N197 PolarHBondContact OH-OD1 3.14Å; D193-N197 VanDerWaalsContact O-CA 3.23Å; D193-N197 WeakPolarHBondContact O-CA 3.3Å; D193-N197 PolarHBondContact O-N 2.73Å; R195-N197 VanDerWaalsContact C-N 3.32Å; N197-K222 PolarHBondContact O-NZ 3.14Å
198S93.1Very high95.5Very high60 Ų6035.6 Ų35.642%0.4219%0.189SC..BIsolated β-bridgetrans-124167.8-178.165.50000111.1Y192 D193 S196Y192-S198 CarbonylContact C-O 3.57Å; Y192-S198 VanDerWaalsContact CA-O 3.27Å; Y192-S198 WeakPolarHBondContact CA-O 3.39Å; Y192-S198 VanDerWaalsContact CD2-O 3.29Å; Y192-S198 WeakPolarHBondContact CD2-O 3.48Å; D193-S198 PolarHBondContact N-O 2.76Å; D193-S198 PolarHBondContact O-N 3.47Å; S196-S198 PolarHBondContact O-N 2.93Å; S196-S198 PolarHBondContact OG-OG 2.88Å
199G95Very high95.6Very high25 Ų2531.2 Ų31.226%0.25817%0.165SC..  trans93.2177-172.400000113.3
200I97.2Very high95.5Very high20 Ų2033 Ų3310%0.10318%0.176CC..SBendtrans-117.9-63-171-59-177.5000110.8P190 R202 T221 K222 K225 P227P190-I200 HydrophobicContact CB-CG1 4.24Å; P190-I200 HydrophobicContact CG-CB 3.95Å; P190-I200 HydrophobicContact CG-CD1 3.44Å; P190-I200 VanDerWaalsContact CG-CD1 3.44Å; P190-I200 HydrophobicContact CG-CG1 3.6Å; P190-I200 WeakPolarHBondContact O-CA 3.48Å; P190-I200 WeakPolarHBondContact O-CB 3.13Å; P190-I200 PolarHBondContact O-N 2.95Å; I200-R202 PolarHBondContact O-N 2.79Å; I200-T221 HydrophobicContact CG2-CG2 4.01Å; I200-T221 CarbonylContact O-C 3.52Å; I200-T221 WeakPolarHBondContact O-CA 3.33Å; I200-K222 PolarHBondContact O-N 3.09Å; I200-K225 WeakPolarHBondContact CD1-O 3.3Å; I200-K225 VanDerWaalsContact CG2-O 3.29Å; I200-K225 WeakPolarHBondContact CG2-O 3.33Å; I200-P227 HydrophobicContact CD1-CG 3.88Å
201L97.9Very high95.4Very high0 Ų036.7 Ų36.70%019%0.189CC..EExtended strand (participates in β ladder)trans-79.4120.8-172.7-77.1149.1000111.6L139 L184 L189 P190 I191 Y192 M219 T221 L226L139-L201 HydrophobicContact CD1-CB 3.8Å; L184-L201 HydrophobicContact CD1-CD1 4.21Å; L184-L201 HydrophobicContact CD2-CD1 3.7Å; L184-L201 HydrophobicContact CG-CD1 4.5Å; L189-L201 HydrophobicContact CB-CD1 3.71Å; L189-L201 HydrophobicContact CD1-CD1 4.05Å; P190-L201 PolarHBondContact O-N 3.48Å; I191-L201 HydrophobicContact CD1-CB 3.88Å; I191-L201 HydrophobicContact CD1-CD1 4.2Å; Y192-L201 WeakPolarHBondContact CB-O 3.26Å; Y192-L201 PolarHBondContact N-O 3.43Å; L201-M219 HydrophobicContact CD2-CB 4.03Å; L201-M219 HydrophobicContact CD2-CG 4.25Å; L201-M219 HydrophobicContact CD2-SD 4.36Å; L201-T221 HydrophobicContact CD2-CG2 3.88Å; L201-T221 HydrophobicContact CG-CG2 4.26Å; L201-L226 HydrophobicContact CD1-CD1 4.25Å; L201-L226 HydrophobicContact CD2-CD1 4.32Å; L201-L226 HydrophobicContact CG-CD1 4.32Å
202R97.4Very high95.3Very high14 Ų1438.2 Ų38.25%0.05320%0.199CC..EExtended strand (participates in β ladder)trans-100.1-50.5-175.2-58-178.762.3151.2-4.2112.6L139 Y192 I200 I220 Q251 K253 T255L139-R202 PolarHBondContact N-O 2.96Å; Y192-R202 HydrophobicContact CD1-CB 4.39Å; Y192-R202 HydrophobicContact CD1-CG 3.81Å; Y192-R202 HydrophobicContact CD2-CG 4.36Å; Y192-R202 HydrophobicContact CG-CG 3.7Å; I200-R202 PolarHBondContact O-N 2.79Å; R202-I220 HydrophobicContact CB-CG2 4.2Å; R202-I220 PolarHBondContact N-O 2.66Å; R202-Q251 WeakPolarHBondContact CD-O 3.42Å; R202-Q251 PolarHBondContact NH1-O 2.89Å; R202-K253 PolarHBondContact NH1-O 2.71Å; R202-T255 PolarHBondContact NH2-O 2.84Å
203T98.2Very high95.3Very high2 Ų239.9 Ų39.91%0.01222%0.217CC..EExtended strand (participates in β ladder)trans-147141.1-168.5-46.40000108.5F137 Q138 I220 I258F137-T203 CarbonylContact O-C 3.54Å; F137-T203 WeakPolarHBondContact O-CA 3.23Å; F137-T203 VanDerWaalsContact O-CG2 3.22Å; F137-T203 WeakPolarHBondContact O-CG2 3.32Å; Q138-T203 PolarHBondContact OE1-OG1 3.43Å; T203-I220 HydrophobicContact CG2-CD1 4.27Å; T203-I220 PolarHBondContact N-O 2.74Å; T203-I220 WeakPolarHBondContact O-CD1 3.47Å; T203-I220 PolarHBondContact O-N 3.38Å; T203-I258 HydrophobicContact CG2-CG2 4.03Å
204L98.4Very high95.5Very high0 Ų039.2 Ų39.20%021%0.213CC..EExtended strand (participates in β ladder)trans-99.2127162.6-64.2178.5000108.3Q136 F137 L139 V180 V181 L184 L217 M219Q136-L204 CarbonylContact C-O 3.53Å; F137-L204 PolarHBondContact N-O 3.43Å; F137-L204 PolarHBondContact O-N 3.13Å; L139-L204 HydrophobicContact CD1-CD2 4.31Å; L139-L204 HydrophobicContact CD1-CG 3.99Å; L139-L204 HydrophobicContact CD2-CD1 3.99Å; L139-L204 HydrophobicContact CD2-CG 3.98Å; L139-L204 HydrophobicContact CG-CG 4.21Å; V180-L204 HydrophobicContact CB-CD1 3.95Å; V180-L204 HydrophobicContact CG1-CD1 3.59Å; V180-L204 HydrophobicContact CG1-CD2 3.89Å; V180-L204 HydrophobicContact CG1-CG 4.41Å; V181-L204 HydrophobicContact CG2-CD1 3.92Å; L184-L204 HydrophobicContact CD1-CD1 4.28Å; L184-L204 HydrophobicContact CD1-CD2 4.41Å; L204-L217 HydrophobicContact CD2-CD1 4.43Å; L204-M219 HydrophobicContact CD2-CG 3.89Å
205M98.3Very high95.9Very high0 Ų037.2 Ų37.20%020%0.203CC..EExtended strand (participates in β ladder)trans-113130.8167177.7-179100.700108.9K134 A135 Q136 V218 I220 M259 P285K134-M205 HydrophobicContact CD-CE 4.48Å; K134-M205 HydrophobicContact CD-CG 4.36Å; K134-M205 HydrophobicContact CD-SD 3.89Å; K134-M205 HydrophobicContact CG-CG 4.13Å; K134-M205 HydrophobicContact CG-SD 4.31Å; A135-M205 CarbonylContact O-C 3.5Å; A135-M205 VanDerWaalsContact O-CA 3.23Å; A135-M205 WeakPolarHBondContact O-CA 3.45Å; Q136-M205 HydrophobicContact CG-CB 4.07Å; Q136-M205 HydrophobicContact CG-CG 3.68Å; Q136-M205 HydrophobicContact CG-SD 4Å; Q136-M205 PolarHBondContact NE2-SD 3.18Å; M205-V218 HydrophobicContact CB-CB 4.2Å; M205-V218 HydrophobicContact CE-CB 4.16Å; M205-V218 HydrophobicContact CE-CG2 3.61Å; M205-V218 PolarHBondContact N-O 3.07Å; M205-V218 PolarHBondContact O-N 2.89Å; M205-I220 HydrophobicContact CB-CD1 3.82Å; M205-M259 HydrophobicContact SD-SD 4.43Å; M205-P285 WeakPolarHBondContact CE-O 3.32Å
206V98.3Very high96.4Very high0 Ų026 Ų260%016%0.161CC..EExtended strand (participates in β ladder)trans-125.3132.1173.2-174.20000108K134 A135 T173 V176 I177 V215 Q216 L217K134-V206 CarbonylContact C-O 3.55Å; K134-V206 VanDerWaalsContact CA-O 3.3Å; K134-V206 WeakPolarHBondContact CA-O 3.34Å; A135-V206 PolarHBondContact N-O 3.4Å; A135-V206 PolarHBondContact O-N 2.89Å; T173-V206 HydrophobicContact CG2-CG1 4.16Å; V176-V206 HydrophobicContact CB-CG1 4.01Å; V176-V206 HydrophobicContact CB-CG2 4.2Å; V176-V206 HydrophobicContact CG1-CB 4.44Å; V176-V206 HydrophobicContact CG1-CG1 3.9Å; V176-V206 HydrophobicContact CG1-CG2 3.61Å; V176-V206 HydrophobicContact CG2-CG1 4.41Å; I177-V206 HydrophobicContact CD1-CG2 4.28Å; I177-V206 HydrophobicContact CG1-CB 4.38Å; I177-V206 HydrophobicContact CG1-CG2 3.58Å; V206-V215 HydrophobicContact CG1-CG1 3.69Å; V206-Q216 VanDerWaalsContact CA-O 3.32Å; V206-Q216 WeakPolarHBondContact CA-O 3.3Å; V206-L217 HydrophobicContact CG2-CD1 3.83Å
207R97.6Very high96.7Very high1 Ų122.6 Ų22.60%0.00414%0.138CC..EExtended strand (participates in β ladder)trans-123.8143.7174-172.1-177.3-70.8153.7-0.9109.4N133 K134 V215 Q216 I272 S284 A287N133-R207 CarbonylContact O-C 3.59Å; N133-R207 VanDerWaalsContact O-CA 3.29Å; N133-R207 WeakPolarHBondContact O-CA 3.27Å; K134-R207 HydrophobicContact CB-CB 4.5Å; K134-R207 HydrophobicContact CB-CG 4.31Å; K134-R207 HydrophobicContact CG-CB 4.27Å; K134-R207 HydrophobicContact CG-CG 4.48Å; R207-V215 CarbonylContact O-C 3.57Å; R207-V215 WeakPolarHBondContact O-CA 3.32Å; R207-Q216 PolarHBondContact N-O 2.83Å; R207-Q216 PolarHBondContact O-N 2.86Å; R207-I272 HydrophobicContact CB-CD1 4.07Å; R207-I272 HydrophobicContact CG-CD1 3.89Å; R207-S284 PolarHBondContact NH1-O 2.83Å; R207-A287 PolarHBondContact NH1-O 2.89Å; R207-A287 PolarHBondContact NH2-O 3.26Å
208I97.7Very high97Very high12 Ų1220 Ų206%0.06212%0.123CC..EExtended strand (participates in β ladder)trans-120.6138.5169.3-175.3165.3000109.2N133 E170 T172 T173 V210 E214 V215N133-I208 HydrophobicContact CB-CG2 4.13Å; N133-I208 PolarHBondContact O-N 3.44Å; E170-I208 HydrophobicContact CB-CG2 4.01Å; E170-I208 HydrophobicContact CG-CG2 3.91Å; T172-I208 HydrophobicContact CG2-CD1 4Å; T173-I208 HydrophobicContact CG2-CB 4.18Å; T173-I208 HydrophobicContact CG2-CG2 3.7Å; I208-V210 HydrophobicContact CG2-CG2 4.27Å; I208-E214 CarbonylContact C-O 3.27Å; I208-E214 WeakPolarHBondContact CA-O 3.47Å; I208-V215 HydrophobicContact CB-CG2 4.23Å; I208-V215 HydrophobicContact CD1-CG2 3.94Å; I208-V215 HydrophobicContact CG1-CG2 3.95Å
209G96.7Very high97.3Very high0 Ų017.1 Ų17.10%010%0.103CC..  trans-79.4107.8157.500000107.8E211 T212 G213 E214 E274G209-E211 VanDerWaalsContact C-N 3.31Å; G209-E211 PolarHBondContact O-N 3.16Å; G209-T212 PolarHBondContact O-N 2.94Å; G209-T212 PolarHBondContact O-OG1 2.86Å; G209-G213 WeakPolarHBondContact O-CA 3.42Å; G209-G213 PolarHBondContact O-N 3.31Å; G209-E214 PolarHBondContact N-O 3.31Å; G209-E274 WeakPolarHBondContact CA-OE2 3.24Å
210V95Very high97.4Very high40 Ų4015.9 Ų15.924%0.2429%0.091CC..THydrogen-bonded Turntrans-61.4-40.5-172.9175.70000111N133 E170 I208 E274 P293N133-V210 HydrophobicContact CB-CG2 3.78Å; E170-V210 HydrophobicContact CG-CG2 4.36Å; I208-V210 HydrophobicContact CG2-CG2 4.27Å; V210-E274 VanDerWaalsContact N-CD 3.3Å; V210-E274 PolarHBondContact N-OE1 3Å; V210-E274 PolarHBondContact N-OE2 2.82Å; V210-P293 HydrophobicContact CB-CG 4.27Å; V210-P293 HydrophobicContact CG2-CG 3.87Å
211E94.2Very high97.5Very high128 Ų12815 Ų1560%0.5989%0.086SC*.THydrogen-bonded Turntrans-77.5-27.5179.4-66.3-64.3155.100112.9G209 E274 K275G209-E211 VanDerWaalsContact C-N 3.31Å; G209-E211 PolarHBondContact O-N 3.16Å; E211-E274 WeakPolarHBondContact CB-OE1 3.19Å; E211-E274 PolarHBondContact N-OE1 2.77Å; E211-K275 HydrophobicContact CB-CB 4.22Å; E211-K275 WeakPolarHBondContact CG-O 3.48Å
212T94.9Very high97.4Very high49 Ų4917.1 Ų17.130%0.30110%0.096SC..THydrogen-bonded Turntrans-97.4-21.3-175.465.40000113.6G209 E214 N273G209-T212 PolarHBondContact O-N 2.94Å; G209-T212 PolarHBondContact O-OG1 2.86Å; T212-E214 PolarHBondContact O-N 3.29Å; T212-E214 PolarHBondContact OG1-N 3.29Å; T212-N273 WeakPolarHBondContact CB-O 3.26Å; T212-N273 HydrophobicContact CG2-CB 4.15Å; T212-N273 VanDerWaalsContact CG2-O 3.28Å; T212-N273 WeakPolarHBondContact CG2-O 3.46Å; T212-N273 PolarHBondContact OG1-O 3.39Å
213G96.1Very high97.4Very high39 Ų3918.8 Ų18.840%0.40211%0.107SC..  trans72.43.7-170.200000114.6G209 V215G209-G213 WeakPolarHBondContact O-CA 3.42Å; G209-G213 PolarHBondContact O-N 3.31Å; G213-V215 PolarHBondContact O-N 2.89Å
214E97.4Very high97.3Very high29 Ų2921.7 Ų21.714%0.13613%0.126CC..  trans-73.7122.5-176.6-68.7-169.2170.500111.5I208 G209 T212 V244 K269 I272 N273I208-E214 CarbonylContact C-O 3.27Å; I208-E214 WeakPolarHBondContact CA-O 3.47Å; G209-E214 PolarHBondContact N-O 3.31Å; T212-E214 PolarHBondContact O-N 3.29Å; T212-E214 PolarHBondContact OG1-N 3.29Å; E214-V244 HydrophobicContact CB-CG2 3.81Å; E214-V244 HydrophobicContact CG-CG2 4.11Å; E214-K269 IonicContact OE1-NZ 2.71Å; E214-K269 PolarHBondContact OE1-NZ 2.94Å; E214-K269 IonicContact OE2-NZ 3.76Å; E214-I272 HydrophobicContact CB-CB 3.88Å; E214-I272 HydrophobicContact CB-CG2 4.02Å; E214-I272 WeakPolarHBondContact O-CD1 3.29Å; E214-I272 WeakPolarHBondContact OE2-CA 3.47Å; E214-N273 PolarHBondContact OE2-N 2.91Å; E214-N273 PolarHBondContact OE2-ND2 3.18Å
215V98.4Very high97.2Very high0 Ų029.1 Ų29.10%016%0.158CC..EExtended strand (participates in β ladder)trans-108.2131.3-179.1-173.70000112T172 V176 V206 R207 I208 G213 E242 I243 V244 S245T172-V215 HydrophobicContact CG2-CG2 3.77Å; V176-V215 HydrophobicContact CG2-CG1 4.16Å; V206-V215 HydrophobicContact CG1-CG1 3.69Å; R207-V215 CarbonylContact O-C 3.57Å; R207-V215 WeakPolarHBondContact O-CA 3.32Å; I208-V215 HydrophobicContact CB-CG2 4.23Å; I208-V215 HydrophobicContact CD1-CG2 3.94Å; I208-V215 HydrophobicContact CG1-CG2 3.95Å; G213-V215 PolarHBondContact O-N 2.89Å; V215-E242 WeakPolarHBondContact CB-O 3.38Å; V215-E242 HydrophobicContact CG2-CB 4.14Å; V215-E242 HydrophobicContact CG2-CG 4.07Å; V215-E242 PolarHBondContact N-O 3.17Å; V215-I243 HydrophobicContact CB-CG1 4.36Å; V215-I243 HydrophobicContact CG1-CG1 4.1Å; V215-V244 PolarHBondContact O-N 3.07Å; V215-S245 PolarHBondContact O-N 3.37Å
216Q98.6Very high97.1Very high0 Ų029.9 Ų29.90%016%0.162CC..EExtended strand (participates in β ladder)trans-113.1127.2173-176.617380.300111.2V206 R207 V218 S245 M247 I272 P285V206-Q216 VanDerWaalsContact CA-O 3.32Å; V206-Q216 WeakPolarHBondContact CA-O 3.3Å; R207-Q216 PolarHBondContact N-O 2.83Å; R207-Q216 PolarHBondContact O-N 2.86Å; Q216-V218 HydrophobicContact CG-CG2 3.9Å; Q216-S245 WeakPolarHBondContact CA-O 3.43Å; Q216-S245 PolarHBondContact NE2-OG 3.27Å; Q216-M247 HydrophobicContact CG-CG 4.43Å; Q216-I272 HydrophobicContact CB-CD1 3.89Å; Q216-I272 HydrophobicContact CB-CG1 4.27Å; Q216-I272 HydrophobicContact CB-CG2 3.72Å; Q216-P285 VanDerWaalsContact OE1-CA 3.27Å
217L98.7Very high96.9Very high0 Ų031.8 Ų31.80%018%0.175CC..EExtended strand (participates in β ladder)trans-101.1126.6168.1173.164.2000109.7V176 V180 L204 V206 I236 I243 S245 I246 M247V176-L217 HydrophobicContact CG1-CD1 4.38Å; V180-L217 HydrophobicContact CG2-CD1 4.32Å; V180-L217 HydrophobicContact CG2-CD2 3.75Å; L204-L217 HydrophobicContact CD2-CD1 4.43Å; V206-L217 HydrophobicContact CG2-CD1 3.83Å; L217-I236 HydrophobicContact CD2-CD1 3.85Å; L217-I236 HydrophobicContact CD2-CG2 4.2Å; L217-I243 HydrophobicContact CB-CD1 4.29Å; L217-I243 HydrophobicContact CD2-CD1 4.48Å; L217-S245 PolarHBondContact N-O 2.86Å; L217-I246 HydrophobicContact CB-CG1 4.5Å; L217-I246 HydrophobicContact CD2-CG2 4.44Å; L217-I246 CarbonylContact O-C 3.56Å; L217-I246 WeakPolarHBondContact O-CA 3.36Å; L217-M247 PolarHBondContact O-N 2.86Å
218V98.6Very high96.8Very high0 Ų036.6 Ų36.60%020%0.198CC..EExtended strand (participates in β ladder)trans-118.9118.9172.6-170.10000109.2M205 Q216 I220 M247 N249 P285M205-V218 HydrophobicContact CB-CB 4.2Å; M205-V218 HydrophobicContact CE-CB 4.16Å; M205-V218 HydrophobicContact CE-CG2 3.61Å; M205-V218 PolarHBondContact N-O 3.07Å; M205-V218 PolarHBondContact O-N 2.89Å; Q216-V218 HydrophobicContact CG-CG2 3.9Å; V218-I220 HydrophobicContact CG1-CD1 4.22Å; V218-M247 WeakPolarHBondContact CA-O 3.29Å; V218-M247 HydrophobicContact CG1-CB 4.3Å; V218-M247 HydrophobicContact CG2-CB 4.19Å; V218-N249 HydrophobicContact CG1-CB 3.96Å; V218-P285 HydrophobicContact CG1-CB 4.49Å; V218-P285 HydrophobicContact CG2-CB 3.97Å
219M98.6Very high96.8Very high0 Ų040 Ų400%021%0.212CC..EExtended strand (participates in β ladder)trans-93.7111.2172.8-70176.3-69.100108.9L201 L204 L226 L232 I246 M247 Q248 N249 L266L201-M219 HydrophobicContact CD2-CB 4.03Å; L201-M219 HydrophobicContact CD2-CG 4.25Å; L201-M219 HydrophobicContact CD2-SD 4.36Å; L204-M219 HydrophobicContact CD2-CG 3.89Å; M219-L226 HydrophobicContact CE-CD2 3.79Å; M219-L226 HydrophobicContact SD-CD2 4.21Å; M219-L232 HydrophobicContact SD-CD2 3.9Å; M219-I246 HydrophobicContact CE-CG2 3.81Å; M219-M247 PolarHBondContact N-O 2.83Å; M219-Q248 CarbonylContact O-C 3.44Å; M219-Q248 VanDerWaalsContact O-CA 3.32Å; M219-Q248 WeakPolarHBondContact O-CA 3.46Å; M219-N249 PolarHBondContact O-N 2.84Å; M219-L266 HydrophobicContact CE-CD1 3.45Å; M219-L266 VanDerWaalsContact CE-CD1 3.45Å
220I98.4Very high96.8Very high0 Ų045.6 Ų45.60%024%0.242CC..EExtended strand (participates in β ladder)trans-84.1118.6175.5-63.579.8000107.7R202 T203 M205 V218 N249 Q251 I258 M259R202-I220 HydrophobicContact CB-CG2 4.2Å; R202-I220 PolarHBondContact N-O 2.66Å; T203-I220 HydrophobicContact CG2-CD1 4.27Å; T203-I220 PolarHBondContact N-O 2.74Å; T203-I220 WeakPolarHBondContact O-CD1 3.47Å; T203-I220 PolarHBondContact O-N 3.38Å; M205-I220 HydrophobicContact CB-CD1 3.82Å; V218-I220 HydrophobicContact CG1-CD1 4.22Å; I220-N249 CarbonylContact C-O 3.59Å; I220-N249 WeakPolarHBondContact CA-O 3.49Å; I220-N249 HydrophobicContact CG1-CB 4.39Å; I220-Q251 HydrophobicContact CG2-CB 3.9Å; I220-I258 HydrophobicContact CD1-CG2 4.4Å; I220-I258 HydrophobicContact CG1-CG2 4.13Å; I220-I258 VanDerWaalsContact CG2-O 3.26Å; I220-I258 WeakPolarHBondContact CG2-O 3.33Å; I220-M259 HydrophobicContact CG1-CG 4.47Å
221T98.3Very high96.9Very high0 Ų045.6 Ų45.60%025%0.246CC..EExtended strand (participates in β ladder)trans-121.1151.6-177.763.40000111.8I200 L201 T223 Q248 N249 I250 Q251I200-T221 HydrophobicContact CG2-CG2 4.01Å; I200-T221 CarbonylContact O-C 3.52Å; I200-T221 WeakPolarHBondContact O-CA 3.33Å; L201-T221 HydrophobicContact CD2-CG2 3.88Å; L201-T221 HydrophobicContact CG-CG2 4.26Å; T221-T223 VanDerWaalsContact C-N 3.3Å; T221-T223 WeakPolarHBondContact CB-O 3.34Å; T221-T223 PolarHBondContact OG1-O 3.23Å; T221-Q248 HydrophobicContact CG2-CG 4.06Å; T221-Q248 PolarHBondContact OG1-NE2 2.73Å; T221-N249 PolarHBondContact N-O 3.29Å; T221-I250 CarbonylContact O-C 3.54Å; T221-I250 WeakPolarHBondContact O-CA 3.18Å; T221-I250 VanDerWaalsContact OG1-CD1 3.3Å; T221-I250 WeakPolarHBondContact OG1-CD1 3.37Å; T221-Q251 PolarHBondContact O-N 3.2Å
222K96.8Very high97.1Very high46 Ų4639.5 Ų39.520%0.222%0.217CC..SBendtrans-70-28.4173.7-167.8-165.5174.3-165.30112.3Y192 N197 I200 Q251 E252Y192-K222 HydrophobicContact CD2-CB 4.43Å; Y192-K222 HydrophobicContact CD2-CD 4.08Å; Y192-K222 HydrophobicContact CE2-CD 3.91Å; Y192-K222 HydrophobicContact CE2-CG 4.4Å; N197-K222 PolarHBondContact O-NZ 3.14Å; I200-K222 PolarHBondContact O-N 3.09Å; K222-Q251 WeakPolarHBondContact CA-O 3.01Å; K222-E252 WeakPolarHBondContact O-CA 3.45Å; K222-E252 WeakPolarHBondContact O-CG 3.26Å
223T95.9Very high97.2Very high48 Ų4837.9 Ų37.929%0.29421%0.207SC..SBendtrans-138.4161.9-176.872.90000110.6T221 K225 Q248T221-T223 VanDerWaalsContact C-N 3.3Å; T221-T223 WeakPolarHBondContact CB-O 3.34Å; T221-T223 PolarHBondContact OG1-O 3.23Å; T223-K225 PolarHBondContact O-N 3.27Å; T223-K225 PolarHBondContact OG1-N 3.03Å; T223-Q248 PolarHBondContact O-NE2 2.7Å
224P96.8Very high97.3Very high64 Ų6444.2 Ų44.242%0.41622%0.218SC..SBendtrans-63.2-25.2173.3-25.235.3000113.9L226 Q248 I250 I264P224-L226 PolarHBondContact O-N 3.04Å; P224-Q248 PolarHBondContact O-NE2 2.97Å; P224-I250 HydrophobicContact CB-CD1 4.45Å; P224-I250 HydrophobicContact CG-CD1 4.42Å; P224-I250 HydrophobicContact CG-CG1 4.43Å; P224-I264 HydrophobicContact CB-CD1 4.17Å
225K95.6Very high97.4Very high155 Ų15544 Ų4467%0.67422%0.217SC*.  trans-69.1118.1-179.7-175.7176.9-179.5176.80110.4I200 T223I200-K225 WeakPolarHBondContact CD1-O 3.3Å; I200-K225 VanDerWaalsContact CG2-O 3.29Å; I200-K225 WeakPolarHBondContact CG2-O 3.33Å; T223-K225 PolarHBondContact O-N 3.27Å; T223-K225 PolarHBondContact OG1-N 3.03Å
226L96Very high97.4Very high16 Ų1644 Ų448%0.08422%0.217CC..  trans-119102.7171.3-17758.7000109.7L201 M219 P224 K229 L266L201-L226 HydrophobicContact CD1-CD1 4.25Å; L201-L226 HydrophobicContact CD2-CD1 4.32Å; L201-L226 HydrophobicContact CG-CD1 4.32Å; M219-L226 HydrophobicContact CE-CD2 3.79Å; M219-L226 HydrophobicContact SD-CD2 4.21Å; P224-L226 PolarHBondContact O-N 3.04Å; L226-K229 HydrophobicContact CB-CB 4.23Å; L226-K229 HydrophobicContact CD2-CB 4.27Å; L226-K229 HydrophobicContact CD2-CG 4.1Å; L226-K229 HydrophobicContact CG-CB 4.16Å; L226-K229 WeakPolarHBondContact O-CB 3.39Å; L226-K229 PolarHBondContact O-N 2.77Å; L226-L266 HydrophobicContact CD2-CD1 4.17Å
227P95.6Very high97.3Very high40 Ų4045.2 Ų45.226%0.2623%0.225SC..THydrogen-bonded Turntrans-58.5144.5177.7-22.733.3000111.6L189 P190 I200 K229L189-P227 HydrophobicContact CD2-CB 3.95Å; L189-P227 VanDerWaalsContact CD2-O 3.29Å; L189-P227 WeakPolarHBondContact CD2-O 3.24Å; P190-P227 HydrophobicContact CG-CG 4.28Å; I200-P227 HydrophobicContact CD1-CG 3.88Å; P227-K229 PolarHBondContact O-N 3.48Å
228Q95.6Very high97.3Very high103 Ų10351.1 Ų51.148%0.48126%0.257SS..THydrogen-bonded Turntrans53.921.9179.7-59.9179.1-47.900114.9Y187 L189 N230 A231 L232Y187-Q228 VanDerWaalsContact CB-OE1 3.23Å; Y187-Q228 HydrophobicContact CD1-CB 4.36Å; Y187-Q228 PolarHBondContact O-OE1 2.89Å; L189-Q228 HydrophobicContact CD2-CB 4.39Å; Q228-N230 VanDerWaalsContact C-N 3.35Å; Q228-N230 PolarHBondContact O-N 3.29Å; Q228-A231 PolarHBondContact O-N 3.12Å; Q228-L232 PolarHBondContact O-N 3.48Å
229K96.2Very high97.2Very high82 Ų8257.5 Ų57.536%0.35728%0.281SS..Hα-helixtrans-41.9-54.7-178178.6175.674.4166.30113.8L226 P227 A231 L232 I233 L266L226-K229 HydrophobicContact CB-CB 4.23Å; L226-K229 HydrophobicContact CD2-CB 4.27Å; L226-K229 HydrophobicContact CD2-CG 4.1Å; L226-K229 HydrophobicContact CG-CB 4.16Å; L226-K229 WeakPolarHBondContact O-CB 3.39Å; L226-K229 PolarHBondContact O-N 2.77Å; P227-K229 PolarHBondContact O-N 3.48Å; K229-A231 VanDerWaalsContact C-N 3.34Å; K229-A231 PolarHBondContact O-N 3.27Å; K229-L232 PolarHBondContact O-N 3.41Å; K229-I233 HydrophobicContact CD-CD1 4.38Å; K229-I233 HydrophobicContact CG-CD1 3.64Å; K229-I233 HydrophobicContact CG-CG1 4.46Å; K229-I233 WeakPolarHBondContact O-CB 3.44Å; K229-I233 VanDerWaalsContact O-CG1 3.29Å; K229-I233 WeakPolarHBondContact O-CG1 3.39Å; K229-I233 PolarHBondContact O-N 3.37Å; K229-L266 HydrophobicContact CD-CD2 3.99Å
230N96.9Very high97.2Very high118 Ų11857.5 Ų57.563%0.63128%0.281SS*.Hα-helixtrans-67.8-34.3-174.9-65-8.3000112.7Q228 R234Q228-N230 VanDerWaalsContact C-N 3.35Å; Q228-N230 PolarHBondContact O-N 3.29Å; N230-R234 WeakPolarHBondContact O-CB 3.45Å; N230-R234 PolarHBondContact O-N 2.86Å
231A97.7Very high97.1Very high40 Ų4062.5 Ų62.533%0.33131%0.313SS..Hα-helixtrans-70.9-44.4176.500000110.6Y187 Q228 K229 R234 E235Y187-A231 HydrophobicContact CE1-CB 4Å; Y187-A231 PolarHBondContact OH-O 2.92Å; Q228-A231 PolarHBondContact O-N 3.12Å; K229-A231 VanDerWaalsContact C-N 3.34Å; K229-A231 PolarHBondContact O-N 3.27Å; A231-R234 PolarHBondContact O-N 2.92Å; A231-E235 PolarHBondContact O-N 3.05Å
232L98Very high96.9Very high0 Ų064.5 Ų64.50%032%0.322CS..Hα-helixtrans-59.1-51.9176.2-179.767.9000111.5L183 L184 Y187 L189 M219 Q228 K229 R234 E235 I236L183-L232 HydrophobicContact CB-CD1 3.74Å; L183-L232 HydrophobicContact CD1-CD1 4.33Å; L184-L232 HydrophobicContact CD2-CD1 4.42Å; L184-L232 HydrophobicContact CD2-CD2 4.21Å; Y187-L232 HydrophobicContact CD2-CD1 3.95Å; Y187-L232 HydrophobicContact CE2-CD1 4.22Å; L189-L232 HydrophobicContact CD1-CD1 4.47Å; L189-L232 HydrophobicContact CD1-CD2 3.78Å; M219-L232 HydrophobicContact SD-CD2 3.9Å; Q228-L232 PolarHBondContact O-N 3.48Å; K229-L232 PolarHBondContact O-N 3.41Å; L232-R234 VanDerWaalsContact C-N 3.34Å; L232-R234 PolarHBondContact O-N 2.71Å; L232-E235 PolarHBondContact O-N 3.26Å; L232-I236 HydrophobicContact CD1-CD1 3.96Å; L232-I236 HydrophobicContact CD1-CG1 4.32Å; L232-I236 HydrophobicContact CD2-CD1 4.34Å; L232-I236 HydrophobicContact CG-CD1 3.73Å; L232-I236 HydrophobicContact CG-CG1 4.42Å; L232-I236 WeakPolarHBondContact O-CB 3.32Å; L232-I236 VanDerWaalsContact O-CG1 3.25Å; L232-I236 WeakPolarHBondContact O-CG1 3.22Å; L232-I236 PolarHBondContact O-N 3.45Å
233I98Very high97Very high15 Ų1562.4 Ų62.48%0.07731%0.314CS..Hα-helixtrans-56.9-48.7179.6-70.6166.9000110.5K229 E235 I236 T237 I246 L266 W267K229-I233 HydrophobicContact CD-CD1 4.38Å; K229-I233 HydrophobicContact CG-CD1 3.64Å; K229-I233 HydrophobicContact CG-CG1 4.46Å; K229-I233 WeakPolarHBondContact O-CB 3.44Å; K229-I233 VanDerWaalsContact O-CG1 3.29Å; K229-I233 WeakPolarHBondContact O-CG1 3.39Å; K229-I233 PolarHBondContact O-N 3.37Å; I233-E235 VanDerWaalsContact C-N 3.33Å; I233-E235 PolarHBondContact O-N 3.25Å; I233-I236 WeakPolarHBondContact O-CB 3.45Å; I233-I236 PolarHBondContact O-N 2.82Å; I233-T237 HydrophobicContact CG2-CG2 4.35Å; I233-T237 WeakPolarHBondContact O-CG2 3.46Å; I233-T237 PolarHBondContact O-N 3.2Å; I233-T237 PolarHBondContact O-OG1 2.97Å; I233-I246 HydrophobicContact CG2-CD1 4.16Å; I233-L266 HydrophobicContact CD1-CB 3.86Å; I233-L266 HydrophobicContact CD1-CD1 4.27Å; I233-W267 HydrophobicContact CG2-CB 3.9Å; I233-W267 HydrophobicContact CG2-CG 4.02Å
234R97.9Very high97.1Very high172 Ų17262 Ų6265%0.64931%0.311SS*.Hα-helixtrans-59.1-43.5179.7-173.7-174.4-56.7-140.6-1.2112.1N230 A231 L232 T237 N238N230-R234 WeakPolarHBondContact O-CB 3.45Å; N230-R234 PolarHBondContact O-N 2.86Å; A231-R234 PolarHBondContact O-N 2.92Å; L232-R234 VanDerWaalsContact C-N 3.34Å; L232-R234 PolarHBondContact O-N 2.71Å; R234-T237 PolarHBondContact O-OG1 2.97Å; R234-T237 VanDerWaalsContact O-OG1 3.12Å; R234-N238 WeakPolarHBondContact O-CB 3.46Å; R234-N238 PolarHBondContact O-N 3.18Å; R234-N238 VanDerWaalsContact O-N 3.09Å; R234-N238 PolarHBondContact O-ND2 2.97Å; R234-N238 PolarHBondContact O-OD1 3.33Å
235E98.2Very high97.2Very high24 Ų2459 Ų5911%0.11229%0.291CS..Hα-helixtrans-71.5-33.7179.7-168.8164.4-17100112.3L183 K186 Y187 A231 L232 I233 R239L183-E235 HydrophobicContact CD1-CB 4.36Å; L183-E235 HydrophobicContact CD1-CG 4.16Å; L183-E235 HydrophobicContact CD2-CB 4.41Å; L183-E235 HydrophobicContact CD2-CG 3.64Å; L183-E235 WeakPolarHBondContact CD2-OE1 3.35Å; K186-E235 IonicContact NZ-OE1 2.79Å; K186-E235 PolarHBondContact NZ-OE1 3.33Å; K186-E235 IonicContact NZ-OE2 3.58Å; K186-E235 PolarHBondContact NZ-OE2 3.44Å; Y187-E235 VanDerWaalsContact CE2-OE2 3.26Å; Y187-E235 WeakPolarHBondContact CE2-OE2 3.48Å; Y187-E235 VanDerWaalsContact CZ-OE2 3.32Å; Y187-E235 PolarHBondContact OH-OE2 3.43Å; A231-E235 PolarHBondContact O-N 3.05Å; L232-E235 PolarHBondContact O-N 3.26Å; I233-E235 VanDerWaalsContact C-N 3.33Å; I233-E235 PolarHBondContact O-N 3.25Å; E235-R239 HydrophobicContact CG-CG 4.44Å; E235-R239 WeakPolarHBondContact O-CB 3.42Å; E235-R239 VanDerWaalsContact O-CG 3.27Å; E235-R239 WeakPolarHBondContact O-CG 3.42Å; E235-R239 PolarHBondContact O-N 3.42Å; E235-R239 VanDerWaalsContact O-N 3.16Å; E235-R239 IonicContact OE1-CZ 2.64Å; E235-R239 VanDerWaalsContact OE1-CZ 3.22Å; E235-R239 IonicContact OE1-NE 3.22Å; E235-R239 PolarHBondContact OE1-NE 2.73Å; E235-R239 VanDerWaalsContact OE1-NE 3.07Å; E235-R239 IonicContact OE1-NH2 2.66Å; E235-R239 PolarHBondContact OE1-NH2 2.81Å
236I98.4Very high97.4Very high0 Ų051.6 Ų51.60%026%0.259CS..Hα-helixtrans-61.2-55.5172.1-72.5170.7000110.1V180 L183 L217 L232 I233 N238 R239 L240 I243 I246V180-I236 HydrophobicContact CG2-CD1 4.16Å; V180-I236 HydrophobicContact CG2-CG1 4.28Å; L183-I236 HydrophobicContact CD1-CG1 3.57Å; L217-I236 HydrophobicContact CD2-CD1 3.85Å; L217-I236 HydrophobicContact CD2-CG2 4.2Å; L232-I236 HydrophobicContact CD1-CD1 3.96Å; L232-I236 HydrophobicContact CD1-CG1 4.32Å; L232-I236 HydrophobicContact CD2-CD1 4.34Å; L232-I236 HydrophobicContact CG-CD1 3.73Å; L232-I236 HydrophobicContact CG-CG1 4.42Å; L232-I236 WeakPolarHBondContact O-CB 3.32Å; L232-I236 VanDerWaalsContact O-CG1 3.25Å; L232-I236 WeakPolarHBondContact O-CG1 3.22Å; L232-I236 PolarHBondContact O-N 3.45Å; I233-I236 WeakPolarHBondContact O-CB 3.45Å; I233-I236 PolarHBondContact O-N 2.82Å; I236-N238 VanDerWaalsContact C-N 3.26Å; I236-N238 PolarHBondContact O-N 3.39Å; I236-R239 PolarHBondContact O-N 2.95Å; I236-R239 VanDerWaalsContact O-N 3.12Å; I236-L240 HydrophobicContact CG2-CD1 4.29Å; I236-L240 WeakPolarHBondContact O-CB 3.46Å; I236-L240 PolarHBondContact O-N 2.92Å; I236-I243 HydrophobicContact CG2-CD1 3.63Å; I236-I246 HydrophobicContact CB-CD1 4.48Å; I236-I246 HydrophobicContact CG2-CD1 3.84Å
237T97.7Very high97.5Very high26 Ų2651.3 Ų51.316%0.1626%0.258CS..Hα-helixtrans-65.1-30.3-175.556.50000112.6I233 R234 I246 W267I233-T237 HydrophobicContact CG2-CG2 4.35Å; I233-T237 WeakPolarHBondContact O-CG2 3.46Å; I233-T237 PolarHBondContact O-N 3.2Å; I233-T237 PolarHBondContact O-OG1 2.97Å; R234-T237 PolarHBondContact O-OG1 2.97Å; R234-T237 VanDerWaalsContact O-OG1 3.12Å; T237-I246 HydrophobicContact CG2-CD1 3.88Å; T237-W267 HydrophobicContact CG2-CD2 3.72Å; T237-W267 HydrophobicContact CG2-CE3 3.84Å; T237-W267 HydrophobicContact CG2-CG 4.37Å; T237-W267 HydrophobicContact CG2-CH2 3.93Å; T237-W267 HydrophobicContact CG2-CZ2 3.82Å; T237-W267 HydrophobicContact CG2-CZ3 3.94Å
238N97.8Very high97.6Very high124 Ų12449.5 Ų49.566%0.66325%0.246SC*.Hα-helixtrans-73.1-34175.3-72.5-4.8000112.9R234 I236R234-N238 WeakPolarHBondContact O-CB 3.46Å; R234-N238 PolarHBondContact O-N 3.18Å; R234-N238 VanDerWaalsContact O-N 3.09Å; R234-N238 PolarHBondContact O-ND2 2.97Å; R234-N238 PolarHBondContact O-OD1 3.33Å; I236-N238 VanDerWaalsContact C-N 3.26Å; I236-N238 PolarHBondContact O-N 3.39Å
239R98Very high97.7Very high134 Ų13444.6 Ų44.651%0.50622%0.223SC..Hα-helixtrans-89.1-24.1-177.8-70.2176.3179.9-119.53.7113.3T179 E235 I236T179-R239 HydrophobicContact CG2-CB 4.21Å; E235-R239 HydrophobicContact CG-CG 4.44Å; E235-R239 WeakPolarHBondContact O-CB 3.42Å; E235-R239 VanDerWaalsContact O-CG 3.27Å; E235-R239 WeakPolarHBondContact O-CG 3.42Å; E235-R239 PolarHBondContact O-N 3.42Å; E235-R239 VanDerWaalsContact O-N 3.16Å; E235-R239 IonicContact OE1-CZ 2.64Å; E235-R239 VanDerWaalsContact OE1-CZ 3.22Å; E235-R239 IonicContact OE1-NE 3.22Å; E235-R239 PolarHBondContact OE1-NE 2.73Å; E235-R239 VanDerWaalsContact OE1-NE 3.07Å; E235-R239 IonicContact OE1-NH2 2.66Å; E235-R239 PolarHBondContact OE1-NH2 2.81Å; I236-R239 PolarHBondContact O-N 2.95Å; I236-R239 VanDerWaalsContact O-N 3.12Å
240L97.8Very high97.8Very high1 Ų141 Ų411%0.00521%0.207CC..  trans-130.771.8-171.8-59.3169.2000109.5K175 V176 T179 V180 I236 E242 I243K175-L240 HydrophobicContact CD-CD2 4.45Å; K175-L240 HydrophobicContact CG-CD2 4.31Å; V176-L240 HydrophobicContact CB-CD1 4.28Å; V176-L240 HydrophobicContact CG1-CD1 4.09Å; V176-L240 HydrophobicContact CG2-CD1 4.15Å; V176-L240 HydrophobicContact CG2-CD2 4.29Å; T179-L240 HydrophobicContact CG2-CD1 3.88Å; T179-L240 HydrophobicContact CG2-CD2 4.17Å; T179-L240 HydrophobicContact CG2-CG 4.03Å; V180-L240 HydrophobicContact CG2-CD1 4.4Å; I236-L240 HydrophobicContact CG2-CD1 4.29Å; I236-L240 WeakPolarHBondContact O-CB 3.46Å; I236-L240 PolarHBondContact O-N 2.92Å; L240-E242 VanDerWaalsContact C-OE2 3.3Å; L240-E242 WeakPolarHBondContact CA-OE2 3.32Å; L240-E242 PolarHBondContact O-N 3.13Å; L240-E242 VanDerWaalsContact O-N 3.13Å; L240-I243 HydrophobicContact CB-CD1 3.74Å; L240-I243 HydrophobicContact CB-CG1 4.01Å; L240-I243 HydrophobicContact CD1-CD1 3.64Å; L240-I243 HydrophobicContact CG-CD1 4.35Å; L240-I243 PolarHBondContact O-N 3.27Å
241P95.8Very high97.8Very high105 Ų10535.8 Ų35.868%0.68218%0.179SC*.THydrogen-bonded Turntrans-61.8-17.6-178.926.9-36.3000113.6I243P241-I243 VanDerWaalsContact C-N 3.26Å; P241-I243 PolarHBondContact O-N 3.38Å
242E95.3Very high97.7Very high41 Ų4139.3 Ų39.319%0.19219%0.189CC..THydrogen-bonded Turntrans-69-19.117463-95.6-140.900114.1T172 K175 V215 L240 V244T172-E242 HydrophobicContact CG2-CG 3.95Å; K175-E242 WeakPolarHBondContact CD-OE1 3.35Å; K175-E242 WeakPolarHBondContact CE-OE1 3.47Å; K175-E242 IonicContact NZ-OE1 3.75Å; K175-E242 PolarHBondContact NZ-OE1 3.29Å; K175-E242 IonicContact NZ-OE2 3.91Å; K175-E242 PolarHBondContact NZ-OE2 3.13Å; V215-E242 WeakPolarHBondContact CB-O 3.38Å; V215-E242 HydrophobicContact CG2-CB 4.14Å; V215-E242 HydrophobicContact CG2-CG 4.07Å; V215-E242 PolarHBondContact N-O 3.17Å; L240-E242 VanDerWaalsContact C-OE2 3.3Å; L240-E242 WeakPolarHBondContact CA-OE2 3.32Å; L240-E242 PolarHBondContact O-N 3.13Å; L240-E242 VanDerWaalsContact O-N 3.13Å; E242-V244 PolarHBondContact O-N 3.27Å
243I98.2Very high97.5Very high3 Ų345.5 Ų45.52%0.01522%0.216CC..EExtended strand (participates in β ladder)trans-75.3121.5177.8-66.2177.3000109V176 V215 L217 I236 L240 P241 S245 I246 W267V176-I243 HydrophobicContact CG1-CD1 3.78Å; V176-I243 HydrophobicContact CG2-CD1 4.16Å; V176-I243 HydrophobicContact CG2-CG1 4.19Å; V215-I243 HydrophobicContact CB-CG1 4.36Å; V215-I243 HydrophobicContact CG1-CG1 4.1Å; L217-I243 HydrophobicContact CB-CD1 4.29Å; L217-I243 HydrophobicContact CD2-CD1 4.48Å; I236-I243 HydrophobicContact CG2-CD1 3.63Å; L240-I243 HydrophobicContact CB-CD1 3.74Å; L240-I243 HydrophobicContact CB-CG1 4.01Å; L240-I243 HydrophobicContact CD1-CD1 3.64Å; L240-I243 HydrophobicContact CG-CD1 4.35Å; L240-I243 PolarHBondContact O-N 3.27Å; P241-I243 VanDerWaalsContact C-N 3.26Å; P241-I243 PolarHBondContact O-N 3.38Å; I243-S245 WeakPolarHBondContact CG2-O 3.29Å; I243-I246 HydrophobicContact CG2-CD1 4.19Å; I243-I246 HydrophobicContact CG2-CG1 3.63Å; I243-W267 VanDerWaalsContact O-CZ3 3.26Å; I243-W267 WeakPolarHBondContact O-CZ3 3.4Å
244V98.3Very high97.1Very high39 Ų3951.6 Ų51.624%0.23624%0.242CC..EExtended strand (participates in β ladder)trans-110.2-10.5175.8-57.50000112.7E214 V215 E242 G268 K269 I272E214-V244 HydrophobicContact CB-CG2 3.81Å; E214-V244 HydrophobicContact CG-CG2 4.11Å; V215-V244 PolarHBondContact O-N 3.07Å; E242-V244 PolarHBondContact O-N 3.27Å; V244-G268 CarbonylContact O-C 3.55Å; V244-G268 VanDerWaalsContact O-CA 3.31Å; V244-G268 WeakPolarHBondContact O-CA 3.35Å; V244-K269 HydrophobicContact CB-CD 4.49Å; V244-K269 HydrophobicContact CG2-CD 4.27Å; V244-K269 PolarHBondContact O-N 2.76Å; V244-I272 HydrophobicContact CG2-CG2 3.78Å
245S98.5Very high96.8Very high0 Ų046 Ų460%023%0.227CC..EExtended strand (participates in β ladder)trans-143.1127.2-177.9-179.60000111V215 Q216 L217 I243 K269V215-S245 PolarHBondContact O-N 3.37Å; Q216-S245 WeakPolarHBondContact CA-O 3.43Å; Q216-S245 PolarHBondContact NE2-OG 3.27Å; L217-S245 PolarHBondContact N-O 2.86Å; I243-S245 WeakPolarHBondContact CG2-O 3.29Å; S245-K269 WeakPolarHBondContact CB-O 3.36Å; S245-K269 PolarHBondContact OG-O 3.41Å
246I98.6Very high96.4Very high0 Ų050 Ų500%026%0.257CS..EExtended strand (participates in β ladder)trans-124.2123.6171.7-55.7175.4000108.8L217 M219 I233 I236 T237 I243 L266 W267L217-I246 HydrophobicContact CB-CG1 4.5Å; L217-I246 HydrophobicContact CD2-CG2 4.44Å; L217-I246 CarbonylContact O-C 3.56Å; L217-I246 WeakPolarHBondContact O-CA 3.36Å; M219-I246 HydrophobicContact CE-CG2 3.81Å; I233-I246 HydrophobicContact CG2-CD1 4.16Å; I236-I246 HydrophobicContact CB-CD1 4.48Å; I236-I246 HydrophobicContact CG2-CD1 3.84Å; T237-I246 HydrophobicContact CG2-CD1 3.88Å; I243-I246 HydrophobicContact CG2-CD1 4.19Å; I243-I246 HydrophobicContact CG2-CG1 3.63Å; I246-L266 HydrophobicContact CB-CB 4.38Å; I246-L266 HydrophobicContact CG2-CB 4.08Å; I246-L266 HydrophobicContact CG2-CD1 4.11Å; I246-L266 WeakPolarHBondContact O-CA 3.49Å; I246-L266 WeakPolarHBondContact O-CB 3.31Å; I246-L266 PolarHBondContact O-N 3.22Å; I246-W267 HydrophobicContact CB-CB 4.19Å; I246-W267 HydrophobicContact CD1-CB 4.34Å; I246-W267 HydrophobicContact CD1-CE3 4.18Å; I246-W267 HydrophobicContact CG1-CB 4.49Å; I246-W267 HydrophobicContact CG1-CE3 4.17Å; I246-W267 PolarHBondContact N-O 3.03Å; I246-W267 PolarHBondContact O-N 3.5Å
247M98.4Very high96.1Very high11 Ų1153.9 Ų53.95%0.05428%0.281CS..EExtended strand (participates in β ladder)trans-128.7155-175.3-53.6-67.1-81.400110.2Q216 L217 V218 M219 T263 H265 P285Q216-M247 HydrophobicContact CG-CG 4.43Å; L217-M247 PolarHBondContact O-N 2.86Å; V218-M247 WeakPolarHBondContact CA-O 3.29Å; V218-M247 HydrophobicContact CG1-CB 4.3Å; V218-M247 HydrophobicContact CG2-CB 4.19Å; M219-M247 PolarHBondContact N-O 2.83Å; M247-T263 HydrophobicContact CB-CG2 4.15Å; M247-T263 HydrophobicContact CE-CG2 3.96Å; M247-H265 HydrophobicContact CE-CB 4.12Å; M247-H265 HydrophobicContact SD-CB 4Å; M247-H265 VanDerWaalsContact SD-CD2 3.56Å; M247-P285 HydrophobicContact CB-CG 3.95Å; M247-P285 HydrophobicContact CE-CG 3.64Å; M247-P285 HydrophobicContact CG-CG 3.56Å; M247-P285 HydrophobicContact SD-CG 4.39Å
248Q98.5Very high95.9Very high2 Ų254.8 Ų54.81%0.00928%0.284CS..EExtended strand (participates in β ladder)trans-122.6123.4172.5-177.6-177.7-6.900108.7M219 T221 T223 P224 I250 T263 I264 L266M219-Q248 CarbonylContact O-C 3.44Å; M219-Q248 VanDerWaalsContact O-CA 3.32Å; M219-Q248 WeakPolarHBondContact O-CA 3.46Å; T221-Q248 HydrophobicContact CG2-CG 4.06Å; T221-Q248 PolarHBondContact OG1-NE2 2.73Å; T223-Q248 PolarHBondContact O-NE2 2.7Å; P224-Q248 PolarHBondContact O-NE2 2.97Å; Q248-I250 HydrophobicContact CG-CD1 3.83Å; Q248-T263 CarbonylContact O-C 3.59Å; Q248-T263 VanDerWaalsContact O-CA 3.3Å; Q248-T263 WeakPolarHBondContact O-CA 3.46Å; Q248-I264 HydrophobicContact CB-CB 4.37Å; Q248-I264 PolarHBondContact N-O 2.99Å; Q248-I264 PolarHBondContact O-N 3.22Å; Q248-L266 HydrophobicContact CB-CD1 3.81Å; Q248-L266 HydrophobicContact CB-CD2 4.13Å; Q248-L266 HydrophobicContact CB-CG 3.94Å
249N98.3Very high95.7Very high0 Ų050.8 Ų50.80%026%0.262CS..EExtended strand (participates in β ladder)trans-109.3131.7176.3176.6-90000109.9V218 M219 I220 T221 M259 G260 E262 T263V218-N249 HydrophobicContact CG1-CB 3.96Å; M219-N249 PolarHBondContact O-N 2.84Å; I220-N249 CarbonylContact C-O 3.59Å; I220-N249 WeakPolarHBondContact CA-O 3.49Å; I220-N249 HydrophobicContact CG1-CB 4.39Å; T221-N249 PolarHBondContact N-O 3.29Å; N249-M259 WeakPolarHBondContact OD1-CA 3.33Å; N249-M259 WeakPolarHBondContact OD1-CB 3.3Å; N249-G260 PolarHBondContact ND2-O 3.41Å; N249-G260 VanDerWaalsContact ND2-O 3.08Å; N249-G260 PolarHBondContact OD1-N 2.62Å; N249-E262 WeakPolarHBondContact CA-O 3.14Å; N249-E262 PolarHBondContact ND2-O 3.32Å; N249-E262 VanDerWaalsContact ND2-O 3.12Å; N249-T263 HydrophobicContact CB-CG2 4.49Å; N249-T263 PolarHBondContact ND2-OG1 2.9Å
250I98Very high95.5Very high6 Ų644.5 Ų44.53%0.03124%0.239CC..EExtended strand (participates in β ladder)trans-97.3111.1-172.8-46.7-53.9000109.9T221 P224 Q248 E252 G260 E262 I264T221-I250 CarbonylContact O-C 3.54Å; T221-I250 WeakPolarHBondContact O-CA 3.18Å; T221-I250 VanDerWaalsContact OG1-CD1 3.3Å; T221-I250 WeakPolarHBondContact OG1-CD1 3.37Å; P224-I250 HydrophobicContact CB-CD1 4.45Å; P224-I250 HydrophobicContact CG-CD1 4.42Å; P224-I250 HydrophobicContact CG-CG1 4.43Å; Q248-I250 HydrophobicContact CG-CD1 3.83Å; I250-E252 HydrophobicContact CG2-CG 3.59Å; I250-G260 WeakPolarHBondContact O-CA 3.38Å; I250-E262 HydrophobicContact CB-CB 4.31Å; I250-E262 HydrophobicContact CG1-CB 4.28Å; I250-E262 HydrophobicContact CG1-CG 4.43Å; I250-E262 PolarHBondContact N-O 3.29Å; I250-I264 HydrophobicContact CD1-CD1 4.1Å; I250-I264 HydrophobicContact CG1-CD1 4.28Å
251Q96.6Very high95.3Very high8 Ų849.9 Ų49.94%0.03727%0.267CS..  trans-117.589.6174.3-179.446.9-88.300109.9R202 I220 T221 K222 T255 V257 I258 M259R202-Q251 WeakPolarHBondContact CD-O 3.42Å; R202-Q251 PolarHBondContact NH1-O 2.89Å; I220-Q251 HydrophobicContact CG2-CB 3.9Å; T221-Q251 PolarHBondContact O-N 3.2Å; K222-Q251 WeakPolarHBondContact CA-O 3.01Å; Q251-T255 HydrophobicContact CG-CG2 4.49Å; Q251-V257 PolarHBondContact NE2-O 3.39Å; Q251-I258 WeakPolarHBondContact CB-O 3.25Å; Q251-I258 WeakPolarHBondContact CG-O 3.32Å; Q251-M259 VanDerWaalsContact NE2-C 3.34Å; Q251-M259 PolarHBondContact NE2-O 3.31Å
252E94.5Very high95.3Very high115 Ų11549.6 Ų49.654%0.53726%0.257SS..  trans-80.3-23.4-175.1-44.4-165.3149.100113.2K222 I250K222-E252 WeakPolarHBondContact O-CA 3.45Å; K222-E252 WeakPolarHBondContact O-CG 3.26Å; I250-E252 HydrophobicContact CG2-CG 3.59Å
253K94.2Very high95.4Very high130 Ų13049.9 Ų49.957%0.56526%0.262SS*.SBendtrans-82146.6-170.1-57.1169.4-175.8161.90110.7R202 T255 D261R202-K253 PolarHBondContact NH1-O 2.71Å; K253-T255 HydrophobicContact CB-CG2 3.96Å; K253-T255 PolarHBondContact O-N 2.94Å; K253-T255 VanDerWaalsContact O-N 3.07Å; K253-D261 IonicContact NZ-OD2 3.13Å; K253-D261 PolarHBondContact NZ-OD2 2.77Å
254K90.2Very high95.3Very high143 Ų14352.1 Ų52.162%0.62227%0.273SS*.SBendtrans-8086.2168.5-172.5174-179.5168.70109E194E194-K254 WeakPolarHBondContact O-CE 3.36Å; E194-K254 PolarHBondContact O-NZ 3.44Å; E194-K254 VanDerWaalsContact O-NZ 3.15Å
255T92Very high95.3Very high55 Ų5553.9 Ų53.934%0.33728%0.279SS..SBendtrans-143.6160.4-174.7-177.90000110.7R202 Q251 K253 V257R202-T255 PolarHBondContact NH2-O 2.84Å; Q251-T255 HydrophobicContact CG-CG2 4.49Å; K253-T255 HydrophobicContact CB-CG2 3.96Å; K253-T255 PolarHBondContact O-N 2.94Å; K253-T255 VanDerWaalsContact O-N 3.07Å; T255-V257 VanDerWaalsContact C-N 3.27Å; T255-V257 HydrophobicContact CG2-CB 3.92Å; T255-V257 PolarHBondContact OG1-N 3.12Å
256S88.4Confident95.3Very high107 Ų10755.1 Ų55.175%0.74829%0.285SS*.SBendtrans-76.5-14.3171.255.60000113I258S256-I258 PolarHBondContact O-N 2.81Å
257V92.3Very high95.3Very high82 Ų8260 Ų6050%0.49730%0.304SS..  trans-66.5123.1173.9-175.50000109.2Q251 T255 M259Q251-V257 PolarHBondContact NE2-O 3.39Å; T255-V257 VanDerWaalsContact C-N 3.27Å; T255-V257 HydrophobicContact CG2-CB 3.92Å; T255-V257 PolarHBondContact OG1-N 3.12Å; V257-M259 VanDerWaalsContact CG1-O 3.31Å; V257-M259 WeakPolarHBondContact CG1-O 3.49Å
258I93.5Very high95.2Very high44 Ų4461.4 Ų61.423%0.22632%0.321CS..SBendtrans-70.8-52.5-173.9-64.6173.5000111.3T203 I220 Q251 S256T203-I258 HydrophobicContact CG2-CG2 4.03Å; I220-I258 HydrophobicContact CD1-CG2 4.4Å; I220-I258 HydrophobicContact CG1-CG2 4.13Å; I220-I258 VanDerWaalsContact CG2-O 3.26Å; I220-I258 WeakPolarHBondContact CG2-O 3.33Å; Q251-I258 WeakPolarHBondContact CB-O 3.25Å; Q251-I258 WeakPolarHBondContact CG-O 3.32Å; S256-I258 PolarHBondContact O-N 2.81Å
259M94.1Very high95.2Very high41 Ų4165.8 Ų65.820%0.20234%0.34CS..SBendtrans-94.2142.6-176.2-64.7-174.9-69.800110.7M205 I220 N249 Q251 V257 R286M205-M259 HydrophobicContact SD-SD 4.43Å; I220-M259 HydrophobicContact CG1-CG 4.47Å; N249-M259 WeakPolarHBondContact OD1-CA 3.33Å; N249-M259 WeakPolarHBondContact OD1-CB 3.3Å; Q251-M259 VanDerWaalsContact NE2-C 3.34Å; Q251-M259 PolarHBondContact NE2-O 3.31Å; V257-M259 VanDerWaalsContact CG1-O 3.31Å; V257-M259 WeakPolarHBondContact CG1-O 3.49Å; M259-R286 HydrophobicContact CE-CB 4.44Å; M259-R286 HydrophobicContact CE-CG 4.49Å; M259-R286 HydrophobicContact SD-CG 4.08Å
260G94.6Very high95.1Very high2 Ų272.1 Ų72.12%0.02137%0.369CS..  trans-98.6-167.416800000112.3N249 I250N249-G260 PolarHBondContact ND2-O 3.41Å; N249-G260 VanDerWaalsContact ND2-O 3.08Å; N249-G260 PolarHBondContact OD1-N 2.62Å; I250-G260 WeakPolarHBondContact O-CA 3.38Å
261D92.7Very high94.9Very high113 Ų11373.6 Ų73.660%0.60438%0.378SS*.SBendtrans-85-23.7-163.8-59.2-45.4000113K253 R286K253-D261 IonicContact NZ-OD2 3.13Å; K253-D261 PolarHBondContact NZ-OD2 2.77Å; D261-R286 PolarHBondContact O-NH1 3.08Å; D261-R286 IonicContact OD1-NH2 3.44Å
262E95.5Very high94.8Very high100 Ų10073.2 Ų73.247%0.46738%0.377SS..EExtended strand (participates in β ladder)trans-104.2136.9-179-171.6-175.4170.300111.6N249 I250 I264N249-E262 WeakPolarHBondContact CA-O 3.14Å; N249-E262 PolarHBondContact ND2-O 3.32Å; N249-E262 VanDerWaalsContact ND2-O 3.12Å; I250-E262 HydrophobicContact CB-CB 4.31Å; I250-E262 HydrophobicContact CG1-CB 4.28Å; I250-E262 HydrophobicContact CG1-CG 4.43Å; I250-E262 PolarHBondContact N-O 3.29Å; E262-I264 HydrophobicContact CG-CG1 4.5Å
263T97Very high94.8Very high46 Ų4669.8 Ų69.828%0.28236%0.362SS..EExtended strand (participates in β ladder)trans-131.2124.4172.3-52.30000109.8M247 Q248 N249 P285M247-T263 HydrophobicContact CB-CG2 4.15Å; M247-T263 HydrophobicContact CE-CG2 3.96Å; Q248-T263 CarbonylContact O-C 3.59Å; Q248-T263 VanDerWaalsContact O-CA 3.3Å; Q248-T263 WeakPolarHBondContact O-CA 3.46Å; N249-T263 HydrophobicContact CB-CG2 4.49Å; N249-T263 PolarHBondContact ND2-OG1 2.9Å; T263-P285 HydrophobicContact CG2-CB 4.06Å; T263-P285 HydrophobicContact CG2-CG 4.04Å
264I97.6Very high94.7Very high50 Ų5063.6 Ų63.626%0.25634%0.335SS..EExtended strand (participates in β ladder)trans-101.9126.5-179.9-52.3174.1000108.2P224 Q248 I250 E262 L266P224-I264 HydrophobicContact CB-CD1 4.17Å; Q248-I264 HydrophobicContact CB-CB 4.37Å; Q248-I264 PolarHBondContact N-O 2.99Å; Q248-I264 PolarHBondContact O-N 3.22Å; I250-I264 HydrophobicContact CD1-CD1 4.1Å; I250-I264 HydrophobicContact CG1-CD1 4.28Å; E262-I264 HydrophobicContact CG-CG1 4.5Å; I264-L266 HydrophobicContact CG2-CD2 4.05Å
265H98Very high94.8Very high77 Ų7761.9 Ų61.936%0.35633%0.328SS..EExtended strand (participates in β ladder)trans-71.3128169.5174.8-100.2000110.4M247 G268M247-H265 HydrophobicContact CE-CB 4.12Å; M247-H265 HydrophobicContact SD-CB 4Å; M247-H265 VanDerWaalsContact SD-CD2 3.56Å; H265-G268 PolarHBondContact CE1-O 3.06Å; H265-G268 PolarHBondContact NE2-O 2.66Å
266L98.1Very high94.7Very high26 Ų2659.5 Ų59.514%0.13631%0.313CS..EExtended strand (participates in β ladder)trans-107.4-39-179.2-61-170000112.9M219 L226 K229 I233 I246 Q248 I264M219-L266 HydrophobicContact CE-CD1 3.45Å; M219-L266 VanDerWaalsContact CE-CD1 3.45Å; L226-L266 HydrophobicContact CD2-CD1 4.17Å; K229-L266 HydrophobicContact CD-CD2 3.99Å; I233-L266 HydrophobicContact CD1-CB 3.86Å; I233-L266 HydrophobicContact CD1-CD1 4.27Å; I246-L266 HydrophobicContact CB-CB 4.38Å; I246-L266 HydrophobicContact CG2-CB 4.08Å; I246-L266 HydrophobicContact CG2-CD1 4.11Å; I246-L266 WeakPolarHBondContact O-CA 3.49Å; I246-L266 WeakPolarHBondContact O-CB 3.31Å; I246-L266 PolarHBondContact O-N 3.22Å; Q248-L266 HydrophobicContact CB-CD1 3.81Å; Q248-L266 HydrophobicContact CB-CD2 4.13Å; Q248-L266 HydrophobicContact CB-CG 3.94Å; I264-L266 HydrophobicContact CG2-CD2 4.05Å
267W98.4Very high94.5Very high103 Ų10356.9 Ų56.939%0.3929%0.291SS..EExtended strand (participates in β ladder)trans-165.9148-177.5-177.289.7000112.1I233 T237 I243 I246I233-W267 HydrophobicContact CG2-CB 3.9Å; I233-W267 HydrophobicContact CG2-CG 4.02Å; T237-W267 HydrophobicContact CG2-CD2 3.72Å; T237-W267 HydrophobicContact CG2-CE3 3.84Å; T237-W267 HydrophobicContact CG2-CG 4.37Å; T237-W267 HydrophobicContact CG2-CH2 3.93Å; T237-W267 HydrophobicContact CG2-CZ2 3.82Å; T237-W267 HydrophobicContact CG2-CZ3 3.94Å; I243-W267 VanDerWaalsContact O-CZ3 3.26Å; I243-W267 WeakPolarHBondContact O-CZ3 3.4Å; I246-W267 HydrophobicContact CB-CB 4.19Å; I246-W267 HydrophobicContact CD1-CB 4.34Å; I246-W267 HydrophobicContact CD1-CE3 4.18Å; I246-W267 HydrophobicContact CG1-CB 4.49Å; I246-W267 HydrophobicContact CG1-CE3 4.17Å; I246-W267 PolarHBondContact N-O 3.03Å; I246-W267 PolarHBondContact O-N 3.5Å
268G97.9Very high94.1Very high40 Ų4058.4 Ų58.441%0.41229%0.292SS..EExtended strand (participates in β ladder)trans80.5-142.7170.500000113.7V244 H265V244-G268 CarbonylContact O-C 3.55Å; V244-G268 VanDerWaalsContact O-CA 3.31Å; V244-G268 WeakPolarHBondContact O-CA 3.35Å; H265-G268 PolarHBondContact CE1-O 3.06Å; H265-G268 PolarHBondContact NE2-O 2.66Å
269K97.4Very high93.8Very high94 Ų9456.3 Ų56.341%0.40928%0.282SS..  trans-74.4149.1175.4-57.8-172.7177.5-170.70111.3E214 V244 S245 V271E214-K269 IonicContact OE1-NZ 2.71Å; E214-K269 PolarHBondContact OE1-NZ 2.94Å; E214-K269 IonicContact OE2-NZ 3.76Å; V244-K269 HydrophobicContact CB-CD 4.49Å; V244-K269 HydrophobicContact CG2-CD 4.27Å; V244-K269 PolarHBondContact O-N 2.76Å; S245-K269 WeakPolarHBondContact CB-O 3.36Å; S245-K269 PolarHBondContact OG-O 3.41Å; K269-V271 WeakPolarHBondContact CB-O 3.32Å
270E95.6Very high93.6Very high133 Ų13356.2 Ų56.262%0.62129%0.285SS*.SBendtrans-77.7-28.3173.1-66.5-169.9-17500113
271V93.7Very high93.3Very high36 Ų3656.7 Ų56.722%0.21829%0.286CS..SBendtrans-129.3157.7178.3-570000109.9K269 E282K269-V271 WeakPolarHBondContact CB-O 3.32Å; V271-E282 HydrophobicContact CG2-CB 4.33Å; V271-E282 HydrophobicContact CG2-CG 4.49Å
272I95.3Very high93.2Very high0 Ų054.5 Ų54.50%027%0.272CS..EExtended strand (participates in β ladder)trans-110155.5165.461.5172.6000109.7R207 E214 Q216 V244 L283R207-I272 HydrophobicContact CB-CD1 4.07Å; R207-I272 HydrophobicContact CG-CD1 3.89Å; E214-I272 HydrophobicContact CB-CB 3.88Å; E214-I272 HydrophobicContact CB-CG2 4.02Å; E214-I272 WeakPolarHBondContact O-CD1 3.29Å; E214-I272 WeakPolarHBondContact OE2-CA 3.47Å; Q216-I272 HydrophobicContact CB-CD1 3.89Å; Q216-I272 HydrophobicContact CB-CG1 4.27Å; Q216-I272 HydrophobicContact CB-CG2 3.72Å; V244-I272 HydrophobicContact CG2-CG2 3.78Å; I272-L283 HydrophobicContact CG1-CB 3.88Å; I272-L283 PolarHBondContact N-O 2.97Å; I272-L283 WeakPolarHBondContact O-CA 3.37Å; I272-L283 WeakPolarHBondContact O-CB 3.11Å; I272-L283 PolarHBondContact O-N 3.48Å
273N93.6Very high92.8Very high43 Ų4350 Ų5023%0.2325%0.251CS..EExtended strand (participates in β ladder)trans-100.2144.4179.7-60.3-82.1000110.2T212 E214 F281T212-N273 WeakPolarHBondContact CB-O 3.26Å; T212-N273 HydrophobicContact CG2-CB 4.15Å; T212-N273 VanDerWaalsContact CG2-O 3.28Å; T212-N273 WeakPolarHBondContact CG2-O 3.46Å; T212-N273 PolarHBondContact OG1-O 3.39Å; E214-N273 PolarHBondContact OE2-N 2.91Å; E214-N273 PolarHBondContact OE2-ND2 3.18Å; N273-F281 WeakPolarHBondContact CA-O 3.25Å
274E94.1Very high92.4Very high0 Ų048.5 Ų48.50%024%0.243CC..EExtended strand (participates in β ladder)trans-133.8159.1167175.765.7-67.500108.4G209 V210 E211 S280 F281 L283 F289G209-E274 WeakPolarHBondContact CA-OE2 3.24Å; V210-E274 VanDerWaalsContact N-CD 3.3Å; V210-E274 PolarHBondContact N-OE1 3Å; V210-E274 PolarHBondContact N-OE2 2.82Å; E211-E274 WeakPolarHBondContact CB-OE1 3.19Å; E211-E274 PolarHBondContact N-OE1 2.77Å; E274-S280 CarbonylContact O-C 3.58Å; E274-S280 WeakPolarHBondContact O-CA 2.93Å; E274-F281 HydrophobicContact CB-CB 4.33Å; E274-F281 PolarHBondContact N-O 2.94Å; E274-F281 VanDerWaalsContact N-O 3.07Å; E274-F281 PolarHBondContact O-N 3.49Å; E274-L283 HydrophobicContact CB-CD1 3.69Å; E274-L283 HydrophobicContact CB-CG 4.31Å; E274-L283 HydrophobicContact CG-CD1 4.49Å; E274-F289 HydrophobicContact CB-CE1 4.41Å; E274-F289 HydrophobicContact CB-CZ 4.26Å; E274-F289 HydrophobicContact CG-CE1 3.56Å; E274-F289 HydrophobicContact CG-CE2 4.28Å; E274-F289 HydrophobicContact CG-CZ 3.37Å
275K91.9Very high91.9Very high107 Ų10746.5 Ų46.547%0.46523%0.233SC..EExtended strand (participates in β ladder)trans-126.3137.4173.9-66.8-173.3177.1-176.10111.1E211 V279E211-K275 HydrophobicContact CB-CB 4.22Å; E211-K275 WeakPolarHBondContact CG-O 3.48Å; K275-V279 WeakPolarHBondContact CA-O 3.49Å
276I89.1Confident91.4Very high5 Ų548.5 Ų48.53%0.02624%0.238CC..EExtended strand (participates in β ladder)trans-127.6121.7163.1-59.6175.6000106.6E278 V279 F281 F289 T296 K297 Y300 T324I276-E278 PolarHBondContact O-N 2.73Å; I276-V279 PolarHBondContact N-O 3.44Å; I276-V279 PolarHBondContact O-N 3.46Å; I276-V279 VanDerWaalsContact O-N 3.07Å; I276-F281 HydrophobicContact CB-CE2 3.68Å; I276-F281 HydrophobicContact CB-CZ 4.17Å; I276-F281 HydrophobicContact CD1-CE2 3.99Å; I276-F281 HydrophobicContact CD1-CZ 3.88Å; I276-F281 HydrophobicContact CG1-CD2 4.5Å; I276-F281 HydrophobicContact CG1-CE2 3.8Å; I276-F281 HydrophobicContact CG1-CZ 4.2Å; I276-F289 HydrophobicContact CD1-CE2 3.61Å; I276-F289 HydrophobicContact CD1-CZ 3.4Å; I276-F289 VanDerWaalsContact CD1-CZ 3.4Å; I276-F289 HydrophobicContact CG1-CE2 4.31Å; I276-F289 HydrophobicContact CG1-CZ 3.89Å; I276-T296 HydrophobicContact CD1-CG2 3.54Å; I276-K297 HydrophobicContact CG2-CB 4.31Å; I276-Y300 HydrophobicContact CD1-CE2 4.48Å; I276-Y300 HydrophobicContact CG2-CD2 4.32Å; I276-T324 HydrophobicContact CB-CG2 4.39Å; I276-T324 HydrophobicContact CG2-CG2 4.31Å
277N84Confident90.8Very high53 Ų5348.3 Ų48.328%0.28324%0.24SC..THydrogen-bonded Turntrans55.2-125.9-171.1-58.3-28.8000110.7K297N277-K297 WeakPolarHBondContact OD1-CE 3.44Å; N277-K297 WeakPolarHBondContact OD1-CG 3.28Å
278E84.9Confident90Very high114 Ų11451 Ų5153%0.53325%0.254SS..THydrogen-bonded Turntrans-91.4-4.9178.1-60.8-175142.200112.8I276 K331 M356I276-E278 PolarHBondContact O-N 2.73Å; E278-K331 VanDerWaalsContact CD-NZ 3.32Å; E278-K331 IonicContact OE1-NZ 3.8Å; E278-K331 PolarHBondContact OE1-NZ 3.13Å; E278-K331 VanDerWaalsContact OE1-NZ 3.12Å; E278-K331 IonicContact OE2-NZ 2.62Å; E278-K331 PolarHBondContact OE2-NZ 3.44Å; E278-M356 HydrophobicContact CB-CE 3.9Å; E278-M356 HydrophobicContact CB-SD 4.45Å; E278-M356 WeakPolarHBondContact OE2-CE 3.24Å
279V87.4Confident89.5Confident0 Ų049.5 Ų49.50%024%0.237CC..EExtended strand (participates in β ladder)trans-94.9132.5-172.4-178.80000110.3K275 I276 F281 V322 T324 L327 N352 M356K275-V279 WeakPolarHBondContact CA-O 3.49Å; I276-V279 PolarHBondContact N-O 3.44Å; I276-V279 PolarHBondContact O-N 3.46Å; I276-V279 VanDerWaalsContact O-N 3.07Å; V279-F281 HydrophobicContact CB-CE2 4.4Å; V279-F281 HydrophobicContact CG1-CE2 4.18Å; V279-V322 HydrophobicContact CG1-CG2 4.13Å; V279-T324 HydrophobicContact CB-CG2 4.39Å; V279-L327 HydrophobicContact CG1-CD1 4.02Å; V279-L327 HydrophobicContact CG2-CB 3.89Å; V279-L327 HydrophobicContact CG2-CD1 3.9Å; V279-N352 HydrophobicContact CG1-CB 4.3Å; V279-M356 HydrophobicContact CG2-SD 4.18Å
280S89Confident89.1Confident38 Ų3845.8 Ų45.827%0.26622%0.221SC..EExtended strand (participates in β ladder)trans-99141.6178.1-58.20000110.6E274 N352E274-S280 CarbonylContact O-C 3.58Å; E274-S280 WeakPolarHBondContact O-CA 2.93Å; S280-N352 PolarHBondContact N-OD1 2.85Å; S280-N352 PolarHBondContact O-ND2 3.46Å; S280-N352 PolarHBondContact O-OD1 2.71Å; S280-N352 VanDerWaalsContact O-OD1 3.13Å
281F87.9Confident89.1Confident12 Ų1241.2 Ų41.25%0.05320%0.2CC..EExtended strand (participates in β ladder)trans-115.2120.3179.8-63.6-109.3000109N273 E274 I276 V279 L283 F289 V322 T324N273-F281 WeakPolarHBondContact CA-O 3.25Å; E274-F281 HydrophobicContact CB-CB 4.33Å; E274-F281 PolarHBondContact N-O 2.94Å; E274-F281 VanDerWaalsContact N-O 3.07Å; E274-F281 PolarHBondContact O-N 3.49Å; I276-F281 HydrophobicContact CB-CE2 3.68Å; I276-F281 HydrophobicContact CB-CZ 4.17Å; I276-F281 HydrophobicContact CD1-CE2 3.99Å; I276-F281 HydrophobicContact CD1-CZ 3.88Å; I276-F281 HydrophobicContact CG1-CD2 4.5Å; I276-F281 HydrophobicContact CG1-CE2 3.8Å; I276-F281 HydrophobicContact CG1-CZ 4.2Å; V279-F281 HydrophobicContact CB-CE2 4.4Å; V279-F281 HydrophobicContact CG1-CE2 4.18Å; F281-L283 HydrophobicContact CB-CD2 3.72Å; F281-L283 HydrophobicContact CB-CG 4.1Å; F281-L283 PolarHBondContact O-N 2.86Å; F281-F289 HydrophobicContact CB-CE2 4.28Å; F281-F289 AromaticContact CD1-CD2 3.57Å; F281-F289 HydrophobicContact CD1-CD2 3.57Å; F281-F289 AromaticContact CD1-CE2 3.38Å; F281-F289 HydrophobicContact CD1-CE2 3.38Å; F281-F289 AromaticContact CD2-CE2 3.91Å; F281-F289 HydrophobicContact CD2-CE2 3.91Å; F281-F289 AromaticContact CE1-CD2 3.88Å; F281-F289 HydrophobicContact CE1-CD2 3.88Å; F281-F289 AromaticContact CE1-CE2 3.49Å; F281-F289 HydrophobicContact CE1-CE2 3.49Å; F281-F289 VanDerWaalsContact CE1-CE2 3.49Å; F281-F289 HydrophobicContact CE2-CE2 4.06Å; F281-F289 HydrophobicContact CG-CD2 4.07Å; F281-F289 AromaticContact CG-CE2 3.59Å; F281-F289 HydrophobicContact CG-CE2 3.59Å; F281-F289 HydrophobicContact CG-CZ 4.49Å; F281-F289 AromaticContact CZ-CE2 3.84Å; F281-F289 HydrophobicContact CZ-CE2 3.84Å; F281-V322 HydrophobicContact CD1-CB 4.38Å; F281-V322 HydrophobicContact CD1-CG1 4.18Å; F281-V322 HydrophobicContact CD1-CG2 3.32Å; F281-V322 HydrophobicContact CE1-CB 4.46Å; F281-V322 HydrophobicContact CE1-CG2 3.12Å; F281-V322 HydrophobicContact CE2-CG2 4.35Å; F281-V322 HydrophobicContact CG-CG2 4.07Å; F281-V322 HydrophobicContact CZ-CG2 3.7Å; F281-T324 WeakPolarHBondContact CE1-OG1 3.42Å; F281-T324 HydrophobicContact CE2-CG2 4.35Å; F281-T324 HydrophobicContact CZ-CG2 3.8Å; F281-T324 WeakPolarHBondContact CZ-OG1 3.35Å
282E90.2Very high89.2Confident68 Ų6839.5 Ų39.532%0.31819%0.19SC..EExtended strand (participates in β ladder)trans-84.196.1168.9-70.5-174177.800109.1V271 S284 K351V271-E282 HydrophobicContact CG2-CB 4.33Å; V271-E282 HydrophobicContact CG2-CG 4.49Å; E282-S284 PolarHBondContact O-N 3.08Å; E282-S284 VanDerWaalsContact O-N 3.14Å; E282-K351 IonicContact OE1-NZ 3.94Å; E282-K351 IonicContact OE2-NZ 3.12Å; E282-K351 PolarHBondContact OE2-NZ 2.85Å
283L87.8Confident89.2Confident4 Ų439.8 Ų39.82%0.02119%0.192CC..EExtended strand (participates in β ladder)trans-86.992.3-175.4-56.5-175.1000110.3I272 E274 F281 F289I272-L283 HydrophobicContact CG1-CB 3.88Å; I272-L283 PolarHBondContact N-O 2.97Å; I272-L283 WeakPolarHBondContact O-CA 3.37Å; I272-L283 WeakPolarHBondContact O-CB 3.11Å; I272-L283 PolarHBondContact O-N 3.48Å; E274-L283 HydrophobicContact CB-CD1 3.69Å; E274-L283 HydrophobicContact CB-CG 4.31Å; E274-L283 HydrophobicContact CG-CD1 4.49Å; F281-L283 HydrophobicContact CB-CD2 3.72Å; F281-L283 HydrophobicContact CB-CG 4.1Å; F281-L283 PolarHBondContact O-N 2.86Å; L283-F289 HydrophobicContact CD1-CB 4.3Å; L283-F289 HydrophobicContact CD1-CD1 3.99Å; L283-F289 HydrophobicContact CD1-CE1 4.46Å; L283-F289 HydrophobicContact CD1-CG 4.05Å; L283-F289 HydrophobicContact CD2-CB 3.76Å; L283-F289 HydrophobicContact CD2-CD2 3.89Å; L283-F289 HydrophobicContact CD2-CG 3.85Å
284S89.1Confident89.2Confident16 Ų1642.7 Ų42.711%0.11220%0.204CC..  trans-62.7160.6165.282.90000111.2R207 E282 R286 A287R207-S284 PolarHBondContact NH1-O 2.83Å; E282-S284 PolarHBondContact O-N 3.08Å; E282-S284 VanDerWaalsContact O-N 3.14Å; S284-R286 PolarHBondContact O-N 2.77Å; S284-A287 WeakPolarHBondContact O-CB 3.25Å; S284-A287 PolarHBondContact O-N 3.12Å; S284-A287 PolarHBondContact OG-N 2.75Å
285P87.5Confident89.4Confident8 Ų842.8 Ų42.85%0.05221%0.205CC..THydrogen-bonded Turntrans-51.9-35.8178.7-32.341.1000113.7M205 Q216 V218 M247 T263M205-P285 WeakPolarHBondContact CE-O 3.32Å; Q216-P285 VanDerWaalsContact OE1-CA 3.27Å; V218-P285 HydrophobicContact CG1-CB 4.49Å; V218-P285 HydrophobicContact CG2-CB 3.97Å; M247-P285 HydrophobicContact CB-CG 3.95Å; M247-P285 HydrophobicContact CE-CG 3.64Å; M247-P285 HydrophobicContact CG-CG 3.56Å; M247-P285 HydrophobicContact SD-CG 4.39Å; T263-P285 HydrophobicContact CG2-CB 4.06Å; T263-P285 HydrophobicContact CG2-CG 4.04Å
286R87.7Confident89.5Confident118 Ų11837.7 Ų37.745%0.44518%0.183SC..THydrogen-bonded Turntrans-93.7-13-176.9-62.6178.366.4-176.14.8113.3M259 D261 S284 F288M259-R286 HydrophobicContact CE-CB 4.44Å; M259-R286 HydrophobicContact CE-CG 4.49Å; M259-R286 HydrophobicContact SD-CG 4.08Å; D261-R286 PolarHBondContact O-NH1 3.08Å; D261-R286 IonicContact OD1-NH2 3.44Å; S284-R286 PolarHBondContact O-N 2.77Å; R286-F288 PolarHBondContact O-N 2.93Å
287A83.9Confident89.8Confident22 Ų2242.6 Ų42.618%0.18220%0.204CC..  trans-56.9136-177.200000111.8R207 S284R207-A287 PolarHBondContact NH1-O 2.89Å; R207-A287 PolarHBondContact NH2-O 3.26Å; S284-A287 WeakPolarHBondContact O-CB 3.25Å; S284-A287 PolarHBondContact O-N 3.12Å; S284-A287 PolarHBondContact OG-N 2.75Å
288F82.7Confident90.4Very high159 Ų15942.9 Ų42.970%0.69721%0.205SC*.  trans-77.6139.3167.1177.8-94.8000109.2R286R286-F288 PolarHBondContact O-N 2.93Å
289F86.6Confident90.9Very high9 Ų937.5 Ų37.54%0.03918%0.179CC..  trans-155.3147.5173.9-173.9-109.5000108N133 E274 I276 F281 L283 L291 P293N133-F289 VanDerWaalsContact ND2-CD1 3.3Å; N133-F289 WeakPolarHBondContact ND2-CD1 3.41Å; N133-F289 VanDerWaalsContact ND2-CE1 3.32Å; N133-F289 WeakPolarHBondContact ND2-CE1 3.14Å; E274-F289 HydrophobicContact CB-CE1 4.41Å; E274-F289 HydrophobicContact CB-CZ 4.26Å; E274-F289 HydrophobicContact CG-CE1 3.56Å; E274-F289 HydrophobicContact CG-CE2 4.28Å; E274-F289 HydrophobicContact CG-CZ 3.37Å; I276-F289 HydrophobicContact CD1-CE2 3.61Å; I276-F289 HydrophobicContact CD1-CZ 3.4Å; I276-F289 VanDerWaalsContact CD1-CZ 3.4Å; I276-F289 HydrophobicContact CG1-CE2 4.31Å; I276-F289 HydrophobicContact CG1-CZ 3.89Å; F281-F289 HydrophobicContact CB-CE2 4.28Å; F281-F289 AromaticContact CD1-CD2 3.57Å; F281-F289 HydrophobicContact CD1-CD2 3.57Å; F281-F289 AromaticContact CD1-CE2 3.38Å; F281-F289 HydrophobicContact CD1-CE2 3.38Å; F281-F289 AromaticContact CD2-CE2 3.91Å; F281-F289 HydrophobicContact CD2-CE2 3.91Å; F281-F289 AromaticContact CE1-CD2 3.88Å; F281-F289 HydrophobicContact CE1-CD2 3.88Å; F281-F289 AromaticContact CE1-CE2 3.49Å; F281-F289 HydrophobicContact CE1-CE2 3.49Å; F281-F289 VanDerWaalsContact CE1-CE2 3.49Å; F281-F289 HydrophobicContact CE2-CE2 4.06Å; F281-F289 HydrophobicContact CG-CD2 4.07Å; F281-F289 AromaticContact CG-CE2 3.59Å; F281-F289 HydrophobicContact CG-CE2 3.59Å; F281-F289 HydrophobicContact CG-CZ 4.49Å; F281-F289 AromaticContact CZ-CE2 3.84Å; F281-F289 HydrophobicContact CZ-CE2 3.84Å; L283-F289 HydrophobicContact CD1-CB 4.3Å; L283-F289 HydrophobicContact CD1-CD1 3.99Å; L283-F289 HydrophobicContact CD1-CE1 4.46Å; L283-F289 HydrophobicContact CD1-CG 4.05Å; L283-F289 HydrophobicContact CD2-CB 3.76Å; L283-F289 HydrophobicContact CD2-CD2 3.89Å; L283-F289 HydrophobicContact CD2-CG 3.85Å; F289-L291 PolarHBondContact O-N 3.38Å; F289-P293 HydrophobicContact CE1-CG 3.99Å
290Q90.4Very high91.3Very high16 Ų1638.7 Ų38.78%0.07518%0.184CC..  trans-62.2134.6-178.4-71.6-72.111.200110.4N133 N292 T296 M441 E449N133-Q290 PolarHBondContact ND2-O 3.09Å; Q290-N292 PolarHBondContact O-N 2.94Å; Q290-T296 HydrophobicContact CB-CG2 3.99Å; Q290-T296 WeakPolarHBondContact CB-OG1 3.35Å; Q290-T296 HydrophobicContact CG-CG2 3.84Å; Q290-M441 HydrophobicContact CB-CE 4.35Å; Q290-M441 HydrophobicContact CG-CE 4.33Å; Q290-E449 PolarHBondContact NE2-OE1 2.93Å
291L94.1Very high91.5Very high37 Ų3740.4 Ų40.419%0.19419%0.188CC..SBendtrans-69.4-22.2-174-63.1174.8000112.6R132 N133 K134 F289 P293 F442R132-L291 CarbonylContact C-O 3.55Å; R132-L291 VanDerWaalsContact CA-O 3.26Å; R132-L291 WeakPolarHBondContact CA-O 3.47Å; R132-L291 HydrophobicContact CG-CB 4.37Å; N133-L291 PolarHBondContact N-O 3.33Å; N133-L291 WeakPolarHBondContact OD1-CA 3.29Å; N133-L291 PolarHBondContact OD1-O 3.1Å; K134-L291 HydrophobicContact CB-CD2 3.73Å; F289-L291 PolarHBondContact O-N 3.38Å; L291-P293 WeakPolarHBondContact O-CD 3.3Å; L291-F442 HydrophobicContact CB-CE1 4.05Å; L291-F442 HydrophobicContact CD1-CE1 4.05Å; L291-F442 HydrophobicContact CG-CE1 4.35Å
292N96.7Very high92Very high0 Ų040.8 Ų40.80%019%0.19CC..  trans-121.283.8-174.2-173.7-16.4000110.4M125 Y131 Q290 Q294 Q295 T296 M441M125-N292 PolarHBondContact SD-ND2 2.92Å; Y131-N292 HydrophobicContact CD2-CB 3.83Å; Y131-N292 WeakPolarHBondContact CD2-ND2 3.31Å; Y131-N292 WeakPolarHBondContact O-CA 3.41Å; Q290-N292 PolarHBondContact O-N 2.94Å; N292-Q294 PolarHBondContact O-N 3.48Å; N292-Q294 PolarHBondContact OD1-N 2.79Å; N292-Q295 HydrophobicContact CB-CB 4.33Å; N292-Q295 VanDerWaalsContact ND2-CG 3.34Å; N292-Q295 WeakPolarHBondContact ND2-CG 3.37Å; N292-Q295 PolarHBondContact O-N 3.36Å; N292-Q295 PolarHBondContact OD1-N 3.08Å; N292-Q295 VanDerWaalsContact OD1-N 3.16Å; N292-T296 PolarHBondContact O-N 3.45Å; N292-T296 PolarHBondContact O-OG1 3.06Å; N292-M441 WeakPolarHBondContact CB-O 3.3Å; N292-M441 PolarHBondContact ND2-O 3.22Å
293P94.1Very high92.3Very high7 Ų737.6 Ų37.65%0.04518%0.175CC..Hα-helixtrans-56.1-36.6-176.5-27.437.1000113.6N133 V210 F289 L291 T296 K297N133-P293 HydrophobicContact CB-CG 4.14Å; N133-P293 WeakPolarHBondContact ND2-CG 3.2Å; V210-P293 HydrophobicContact CB-CG 4.27Å; V210-P293 HydrophobicContact CG2-CG 3.87Å; F289-P293 HydrophobicContact CE1-CG 3.99Å; L291-P293 WeakPolarHBondContact O-CD 3.3Å; P293-T296 WeakPolarHBondContact O-CB 3.23Å; P293-T296 PolarHBondContact O-N 3.27Å; P293-K297 PolarHBondContact O-N 3.28Å
294Q95.1Very high92.5Very high103 Ų10338.5 Ų38.548%0.48118%0.179SC..Hα-helixtrans-61.7-46.8179.8-64.3-177.8-3.500111.8M125 N292M125-Q294 HydrophobicContact CE-CB 4.46Å; N292-Q294 PolarHBondContact O-N 3.48Å; N292-Q294 PolarHBondContact OD1-N 2.79Å
295Q96.7Very high92.8Very high3 Ų341.7 Ų41.71%0.01420%0.196CC..Hα-helixtrans-76.8-29.5176.7-72.2-74.5-4000112.4G124 M125 N292 K297 I298 L299 V439 D440 M441G124-Q295 PolarHBondContact O-NE2 2.99Å; M125-Q295 HydrophobicContact CG-CG 3.52Å; M125-Q295 HydrophobicContact SD-CG 3.86Å; N292-Q295 HydrophobicContact CB-CB 4.33Å; N292-Q295 VanDerWaalsContact ND2-CG 3.34Å; N292-Q295 WeakPolarHBondContact ND2-CG 3.37Å; N292-Q295 PolarHBondContact O-N 3.36Å; N292-Q295 PolarHBondContact OD1-N 3.08Å; N292-Q295 VanDerWaalsContact OD1-N 3.16Å; Q295-K297 VanDerWaalsContact C-N 3.28Å; Q295-K297 PolarHBondContact O-N 3.09Å; Q295-I298 WeakPolarHBondContact O-CB 3.46Å; Q295-I298 PolarHBondContact O-N 3.1Å; Q295-I298 VanDerWaalsContact O-N 3.12Å; Q295-L299 WeakPolarHBondContact O-CB 3.3Å; Q295-L299 PolarHBondContact O-N 3Å; Q295-V439 HydrophobicContact CB-CG1 4.47Å; Q295-D440 VanDerWaalsContact CG-O 3.32Å; Q295-D440 WeakPolarHBondContact CG-O 3.36Å; Q295-D440 PolarHBondContact OE1-O 2.98Å; Q295-M441 HydrophobicContact CB-CE 4.43Å; Q295-M441 HydrophobicContact CB-SD 3.55Å; Q295-M441 VanDerWaalsContact CB-SD 3.55Å
296T94.9Very high93.2Very high0 Ų041.3 Ų41.30%019%0.193CC..Hα-helixtrans-58.8-42.1172.2-51.10000111.5I276 Q290 N292 P293 I298 L299 Y300 M441I276-T296 HydrophobicContact CD1-CG2 3.54Å; Q290-T296 HydrophobicContact CB-CG2 3.99Å; Q290-T296 WeakPolarHBondContact CB-OG1 3.35Å; Q290-T296 HydrophobicContact CG-CG2 3.84Å; N292-T296 PolarHBondContact O-N 3.45Å; N292-T296 PolarHBondContact O-OG1 3.06Å; P293-T296 WeakPolarHBondContact O-CB 3.23Å; P293-T296 PolarHBondContact O-N 3.27Å; T296-I298 VanDerWaalsContact C-N 3.31Å; T296-I298 PolarHBondContact O-N 3.44Å; T296-L299 PolarHBondContact O-N 3.05Å; T296-Y300 HydrophobicContact CG2-CD2 3.71Å; T296-Y300 HydrophobicContact CG2-CE1 4.22Å; T296-Y300 HydrophobicContact CG2-CE2 3.31Å; T296-Y300 HydrophobicContact CG2-CG 4.31Å; T296-Y300 WeakPolarHBondContact O-CB 3.39Å; T296-Y300 PolarHBondContact O-N 3.07Å; T296-M441 WeakPolarHBondContact OG1-CE 3.44Å
297K94.6Very high93.5Very high108 Ų10835.7 Ų35.747%0.4717%0.172SC..Hα-helixtrans-57.4-44.7174.2-178174.6-178.2178.80111.8I276 N277 P293 Q295 Q301I276-K297 HydrophobicContact CG2-CB 4.31Å; N277-K297 WeakPolarHBondContact OD1-CE 3.44Å; N277-K297 WeakPolarHBondContact OD1-CG 3.28Å; P293-K297 PolarHBondContact O-N 3.28Å; Q295-K297 VanDerWaalsContact C-N 3.28Å; Q295-K297 PolarHBondContact O-N 3.09Å; K297-Q301 VanDerWaalsContact O-CB 3.24Å; K297-Q301 WeakPolarHBondContact O-CB 3.28Å; K297-Q301 PolarHBondContact O-N 2.77Å
298I96.3Very high93.7Very high59 Ų5938.6 Ų38.630%0.30318%0.184SC..Hα-helixtrans-64.9-46.9177.8-68.2168.4000111I123 Q295 T296 Q301 E302 V439I123-I298 HydrophobicContact CB-CG2 4.42Å; I123-I298 HydrophobicContact CD1-CG2 4.2Å; I123-I298 HydrophobicContact CG2-CG2 3.73Å; Q295-I298 WeakPolarHBondContact O-CB 3.46Å; Q295-I298 PolarHBondContact O-N 3.1Å; Q295-I298 VanDerWaalsContact O-N 3.12Å; T296-I298 VanDerWaalsContact C-N 3.31Å; T296-I298 PolarHBondContact O-N 3.44Å; I298-Q301 PolarHBondContact O-N 2.62Å; I298-E302 WeakPolarHBondContact O-CB 3.47Å; I298-E302 PolarHBondContact O-N 2.76Å; I298-V439 HydrophobicContact CG2-CG1 4.15Å
299L97Very high93.8Very high0 Ų031.9 Ų31.90%016%0.156CC..Hα-helixtrans-58.5-50179.1-178.675.8000111.8Q295 T296 E302 A303 I413 V439 M441 E449 V451Q295-L299 WeakPolarHBondContact O-CB 3.3Å; Q295-L299 PolarHBondContact O-N 3Å; T296-L299 PolarHBondContact O-N 3.05Å; L299-E302 PolarHBondContact O-N 3.34Å; L299-A303 PolarHBondContact O-N 2.82Å; L299-I413 HydrophobicContact CD1-CG2 4.15Å; L299-I413 HydrophobicContact CD2-CG2 3.9Å; L299-I413 HydrophobicContact CG-CG2 4.18Å; L299-V439 HydrophobicContact CB-CG1 4.36Å; L299-V439 HydrophobicContact CD1-CB 3.96Å; L299-V439 HydrophobicContact CD1-CG2 3.83Å; L299-M441 HydrophobicContact CB-SD 4.01Å; L299-M441 HydrophobicContact CD2-CE 4.35Å; L299-M441 HydrophobicContact CD2-SD 4.11Å; L299-E449 HydrophobicContact CD1-CB 3.98Å; L299-E449 HydrophobicContact CD2-CB 4.39Å; L299-E449 WeakPolarHBondContact CD2-OE2 3.49Å; L299-V451 HydrophobicContact CD1-CG2 3.61Å; L299-V451 HydrophobicContact CG-CG2 4.37Å
300Y94.3Very high93.6Very high25 Ų2536.7 Ų36.710%0.09819%0.186CC..Hα-helixtrans-68.5-37179.6-67.1-16000111.9I276 T296 E302 A303 I304 T324 I325 I413I276-Y300 HydrophobicContact CD1-CE2 4.48Å; I276-Y300 HydrophobicContact CG2-CD2 4.32Å; T296-Y300 HydrophobicContact CG2-CD2 3.71Å; T296-Y300 HydrophobicContact CG2-CE1 4.22Å; T296-Y300 HydrophobicContact CG2-CE2 3.31Å; T296-Y300 HydrophobicContact CG2-CG 4.31Å; T296-Y300 WeakPolarHBondContact O-CB 3.39Å; T296-Y300 PolarHBondContact O-N 3.07Å; Y300-E302 VanDerWaalsContact C-N 3.31Å; Y300-E302 PolarHBondContact O-N 2.88Å; Y300-A303 PolarHBondContact O-N 3.02Å; Y300-I304 WeakPolarHBondContact O-CB 3.44Å; Y300-I304 WeakPolarHBondContact O-CD1 3.44Å; Y300-I304 VanDerWaalsContact O-CG1 3.23Å; Y300-I304 WeakPolarHBondContact O-CG1 3.43Å; Y300-I304 PolarHBondContact O-N 3.34Å; Y300-T324 HydrophobicContact CD2-CG2 3.51Å; Y300-T324 HydrophobicContact CE2-CG2 3.67Å; Y300-I325 HydrophobicContact CD1-CD1 3.95Å; Y300-I325 HydrophobicContact CD1-CG1 3.96Å; Y300-I325 HydrophobicContact CE1-CD1 4.13Å; Y300-I325 HydrophobicContact CE1-CG1 4.37Å; Y300-I325 HydrophobicContact CG-CG1 4.11Å; Y300-I413 HydrophobicContact CD1-CD1 4.29Å
301Q94.8Very high93.3Very high75 Ų7539.7 Ų39.735%0.3521%0.205SC..Hα-helixtrans-63.2-39173.3-170.459.657.600111.7K297 I298 I304 N305K297-Q301 VanDerWaalsContact O-CB 3.24Å; K297-Q301 WeakPolarHBondContact O-CB 3.28Å; K297-Q301 PolarHBondContact O-N 2.77Å; I298-Q301 PolarHBondContact O-N 2.62Å; Q301-I304 PolarHBondContact O-N 2.95Å; Q301-N305 PolarHBondContact NE2-OD1 2.83Å; Q301-N305 WeakPolarHBondContact O-CB 3.36Å; Q301-N305 PolarHBondContact O-N 3.32Å; Q301-N305 PolarHBondContact O-ND2 2.76Å; Q301-N305 PolarHBondContact O-OD1 2.79Å
302E96.9Very high93Very high20 Ų2042.4 Ų42.49%0.09323%0.225CC..Hα-helixtrans-63.8-40.4174.5-178.758.8-155.500111.7R120 I298 L299 Y300 N305 A306 Y435 Q437 V451R120-E302 IonicContact NH1-OE1 2.61Å; I298-E302 WeakPolarHBondContact O-CB 3.47Å; I298-E302 PolarHBondContact O-N 2.76Å; L299-E302 PolarHBondContact O-N 3.34Å; Y300-E302 VanDerWaalsContact C-N 3.31Å; Y300-E302 PolarHBondContact O-N 2.88Å; E302-N305 PolarHBondContact O-N 3.42Å; E302-A306 VanDerWaalsContact O-CB 3.24Å; E302-A306 WeakPolarHBondContact O-CB 3.24Å; E302-A306 PolarHBondContact O-N 2.67Å; E302-Y435 WeakPolarHBondContact OE1-CE2 3.29Å; E302-Y435 VanDerWaalsContact OE1-CZ 3.24Å; E302-Y435 PolarHBondContact OE1-OH 3.46Å; E302-Q437 HydrophobicContact CG-CB 3.99Å; E302-Q437 HydrophobicContact CG-CG 3.69Å; E302-V451 HydrophobicContact CB-CG2 4.17Å; E302-V451 HydrophobicContact CG-CB 3.93Å; E302-V451 HydrophobicContact CG-CG1 4.14Å; E302-V451 HydrophobicContact CG-CG2 3.96Å
303A96.2Very high92.8Very high0 Ų044.2 Ų44.20%023%0.233CC..Hα-helixtrans-64.7-41.4174.500000112.6L299 Y300 A306 L307 V411 I413 V451L299-A303 PolarHBondContact O-N 2.82Å; Y300-A303 PolarHBondContact O-N 3.02Å; A303-A306 WeakPolarHBondContact O-CB 3.2Å; A303-A306 PolarHBondContact O-N 3.02Å; A303-L307 WeakPolarHBondContact O-CG 3.46Å; A303-L307 PolarHBondContact O-N 3.27Å; A303-V411 HydrophobicContact CB-CG1 4.05Å; A303-I413 HydrophobicContact CB-CD1 3.61Å; A303-I413 HydrophobicContact CB-CG1 4.07Å; A303-V451 HydrophobicContact CB-CG1 4.23Å
304I93.8Very high92.9Very high23 Ų2344.4 Ų44.412%0.11823%0.234CC..Hα-helixtrans-62.1-44.6174.5-70.3160.8000110.7Y300 Q301 A306 L307 D308 I325 S328 L329Y300-I304 WeakPolarHBondContact O-CB 3.44Å; Y300-I304 WeakPolarHBondContact O-CD1 3.44Å; Y300-I304 VanDerWaalsContact O-CG1 3.23Å; Y300-I304 WeakPolarHBondContact O-CG1 3.43Å; Y300-I304 PolarHBondContact O-N 3.34Å; Q301-I304 PolarHBondContact O-N 2.95Å; I304-A306 VanDerWaalsContact C-N 3.34Å; I304-L307 PolarHBondContact O-N 2.93Å; I304-D308 PolarHBondContact O-N 3.02Å; I304-I325 HydrophobicContact CG1-CG2 4.42Å; I304-S328 VanDerWaalsContact CD1-CB 3.47Å; I304-L329 HydrophobicContact CB-CD2 4.26Å; I304-L329 HydrophobicContact CG1-CD2 4.12Å; I304-L329 HydrophobicContact CG1-CG 4.31Å; I304-L329 HydrophobicContact CG2-CD2 3.82Å
305N94.5Very high93Very high84 Ų8439.5 Ų39.545%0.44921%0.211SC..Hα-helixtrans-65.2-38.8176.4-66.8-13000111.4Q301 E302 L307 D308Q301-N305 PolarHBondContact NE2-OD1 2.83Å; Q301-N305 WeakPolarHBondContact O-CB 3.36Å; Q301-N305 PolarHBondContact O-N 3.32Å; Q301-N305 PolarHBondContact O-ND2 2.76Å; Q301-N305 PolarHBondContact O-OD1 2.79Å; E302-N305 PolarHBondContact O-N 3.42Å; N305-L307 VanDerWaalsContact C-N 3.3Å; N305-L307 PolarHBondContact O-N 3.31Å; N305-D308 WeakPolarHBondContact O-CB 3.35Å; N305-D308 PolarHBondContact O-N 3.21Å; N305-D308 VanDerWaalsContact O-N 3.13Å
306A96Very high93.1Very high0 Ų039.3 Ų39.30%021%0.21CC..Hα-helixtrans-63.6-36177.200000112.1E302 A303 I304 D308 Q409 V411 Y435 V451 K453E302-A306 VanDerWaalsContact O-CB 3.24Å; E302-A306 WeakPolarHBondContact O-CB 3.24Å; E302-A306 PolarHBondContact O-N 2.67Å; A303-A306 WeakPolarHBondContact O-CB 3.2Å; A303-A306 PolarHBondContact O-N 3.02Å; I304-A306 VanDerWaalsContact C-N 3.34Å; A306-D308 VanDerWaalsContact C-N 3.31Å; A306-Q409 PolarHBondContact O-NE2 3.08Å; A306-V411 HydrophobicContact CB-CG1 4.13Å; A306-V411 HydrophobicContact CB-CG2 3.61Å; A306-Y435 WeakPolarHBondContact CA-OH 3.48Å; A306-Y435 VanDerWaalsContact CB-OH 3.31Å; A306-Y435 WeakPolarHBondContact CB-OH 3.34Å; A306-V451 HydrophobicContact CB-CG1 4.17Å; A306-K453 HydrophobicContact CB-CB 4.02Å; A306-K453 HydrophobicContact CB-CD 4.45Å; A306-K453 HydrophobicContact CB-CG 4.25Å; A306-K453 VanDerWaalsContact O-CD 3.3Å; A306-K453 WeakPolarHBondContact O-CD 3.27Å; A306-K453 WeakPolarHBondContact O-CE 3.46Å; A306-K453 WeakPolarHBondContact O-CG 3.46Å
307L93.9Very high93.2Very high0 Ų039.4 Ų39.40%021%0.211CC..Hα-helixtrans-69.4-26.4173.7-75.1169.4000113.1A303 I304 N305 L309 L329 A384 V386 Q409 V411A303-L307 WeakPolarHBondContact O-CG 3.46Å; A303-L307 PolarHBondContact O-N 3.27Å; I304-L307 PolarHBondContact O-N 2.93Å; N305-L307 VanDerWaalsContact C-N 3.3Å; N305-L307 PolarHBondContact O-N 3.31Å; L307-L309 VanDerWaalsContact C-N 3.33Å; L307-L309 HydrophobicContact CB-CD2 4.47Å; L307-L309 HydrophobicContact CB-CG 4.48Å; L307-L309 PolarHBondContact O-N 3.46Å; L307-L309 VanDerWaalsContact O-N 3.14Å; L307-L329 HydrophobicContact CD1-CD1 3.3Å; L307-L329 HydrophobicContact CD1-CD2 4.14Å; L307-L329 HydrophobicContact CD1-CG 4.35Å; L307-A384 HydrophobicContact CD2-CB 3.83Å; L307-V386 HydrophobicContact CD1-CB 4.2Å; L307-V386 HydrophobicContact CD1-CG1 4.45Å; L307-Q409 VanDerWaalsContact CA-NE2 3.29Å; L307-Q409 PolarHBondContact O-NE2 2.92Å; L307-Q409 PolarHBondContact O-OE1 3.22Å; L307-V411 HydrophobicContact CD2-CB 4.13Å; L307-V411 HydrophobicContact CD2-CG2 3.67Å; L307-V411 HydrophobicContact CG-CB 4.21Å; L307-V411 HydrophobicContact CG-CG2 3.69Å
308D88.3Confident93.3Very high82 Ų8234.3 Ų34.344%0.43919%0.189SC..  trans43.555.1168.4-166.719.9000113.3I304 N305 A306 T310 K453I304-D308 PolarHBondContact O-N 3.02Å; N305-D308 WeakPolarHBondContact O-CB 3.35Å; N305-D308 PolarHBondContact O-N 3.21Å; N305-D308 VanDerWaalsContact O-N 3.13Å; A306-D308 VanDerWaalsContact C-N 3.31Å; D308-T310 VanDerWaalsContact C-N 3.3Å; D308-T310 PolarHBondContact O-N 3.06Å; D308-K453 IonicContact OD2-NZ 3.69Å
309L85.6Confident93.2Very high19 Ų1933.6 Ų33.610%0.09918%0.182CC..  trans-71.886.4-178.9-59.6-171.7000110L307 K313 V315 L329 K332 A333L307-L309 VanDerWaalsContact C-N 3.33Å; L307-L309 HydrophobicContact CB-CD2 4.47Å; L307-L309 HydrophobicContact CB-CG 4.48Å; L307-L309 PolarHBondContact O-N 3.46Å; L307-L309 VanDerWaalsContact O-N 3.14Å; L309-K313 HydrophobicContact CD2-CB 3.98Å; L309-K313 HydrophobicContact CD2-CD 3.73Å; L309-K313 HydrophobicContact CD2-CG 4.24Å; L309-V315 HydrophobicContact CD1-CG2 4Å; L309-V315 HydrophobicContact CD2-CG2 4.26Å; L309-L329 HydrophobicContact CD1-CB 4.01Å; L309-L329 HydrophobicContact CD1-CD2 3.77Å; L309-L329 HydrophobicContact CD1-CG 4.38Å; L309-L329 HydrophobicContact CG-CD2 4.19Å; L309-K332 HydrophobicContact CB-CB 4.41Å; L309-A333 HydrophobicContact CD1-CB 4.28Å
310T81.3Confident93Very high109 Ų10934 Ų3467%0.66919%0.185SC*.SBendtrans-80.8-23.2174.956.40000112.8D308D308-T310 VanDerWaalsContact C-N 3.3Å; D308-T310 PolarHBondContact O-N 3.06Å
311T85.2Confident92.8Very high79 Ų7933.8 Ų33.849%0.48519%0.191SC..SBendtrans-130.1157.6175.459.20000110.5K313T311-K313 PolarHBondContact O-N 2.86Å
312P86.6Confident92.6Very high95 Ų9531 Ų3162%0.61718%0.179SC*.  trans-60.5109.9174-23.934.7000112K332 K334P312-K332 WeakPolarHBondContact CA-O 3.49Å; P312-K334 HydrophobicContact CB-CB 4.19Å
313K91.8Very high92.2Very high37 Ų3730 Ų3016%0.16117%0.174CC..  trans-113.7153.4-178.6-75.2-171.8-164.7170.90111.8L309 T311 K334 D383L309-K313 HydrophobicContact CD2-CB 3.98Å; L309-K313 HydrophobicContact CD2-CD 3.73Å; L309-K313 HydrophobicContact CD2-CG 4.24Å; T311-K313 PolarHBondContact O-N 2.86Å; K313-K334 PolarHBondContact O-N 2.9Å; K313-D383 WeakPolarHBondContact CA-OD2 3.17Å; K313-D383 HydrophobicContact CB-CB 3.71Å; K313-D383 HydrophobicContact CD-CB 3.92Å; K313-D383 HydrophobicContact CG-CB 3.81Å
314T96.9Very high92Very high11 Ų1130.3 Ų30.37%0.06718%0.176CC..EExtended strand (participates in β ladder)trans-81.3128.8164.7560000109.8K334 E335 F380 S381 P382 D383 A384T314-K334 HydrophobicContact CG2-CB 4.37Å; T314-K334 HydrophobicContact CG2-CD 4.03Å; T314-K334 HydrophobicContact CG2-CG 4.37Å; T314-E335 CarbonylContact C-O 3.59Å; T314-E335 WeakPolarHBondContact CA-O 3.4Å; T314-E335 HydrophobicContact CG2-CB 4.23Å; T314-F380 HydrophobicContact CG2-CE2 4.29Å; T314-S381 PolarHBondContact OG1-O 2.81Å; T314-P382 WeakPolarHBondContact OG1-CA 3.48Å; T314-D383 PolarHBondContact N-OD2 2.83Å; T314-D383 PolarHBondContact O-N 3.07Å; T314-D383 PolarHBondContact OG1-N 3.48Å; T314-D383 PolarHBondContact OG1-OD2 2.96Å; T314-A384 PolarHBondContact O-N 2.8Å; T314-A384 VanDerWaalsContact O-N 3.08Å
315V97.6Very high91.9Very high0 Ų029.5 Ų29.50%017%0.172CC..EExtended strand (participates in β ladder)trans-123.7135-173.6-175.40000110.5L309 L329 A333 E335 V336 R337 A384L309-V315 HydrophobicContact CD1-CG2 4Å; L309-V315 HydrophobicContact CD2-CG2 4.26Å; V315-L329 HydrophobicContact CG1-CD1 4.31Å; V315-A333 HydrophobicContact CG2-CB 4.28Å; V315-E335 PolarHBondContact N-O 2.71Å; V315-V336 HydrophobicContact CB-CG2 4.47Å; V315-V336 CarbonylContact O-C 3.57Å; V315-V336 WeakPolarHBondContact O-CA 3.42Å; V315-R337 PolarHBondContact O-N 2.83Å; V315-A384 CarbonylContact C-O 3.56Å; V315-A384 WeakPolarHBondContact CA-O 3.49Å; V315-A384 HydrophobicContact CG2-CB 4.42Å
316V98Very high91.8Very high0 Ų025.5 Ų25.50%015%0.15CC..EExtended strand (participates in β ladder)trans-99.3128.6164.7172.30000109.5A318 R337 M339 L372 W375 F380 P382 A384 I385 V386V316-A318 HydrophobicContact CG1-CB 4.26Å; V316-R337 CarbonylContact C-O 3.58Å; V316-R337 VanDerWaalsContact CA-O 3.29Å; V316-R337 WeakPolarHBondContact CA-O 3.47Å; V316-M339 HydrophobicContact CG1-CE 4.27Å; V316-M339 HydrophobicContact CG1-SD 4.04Å; V316-L372 HydrophobicContact CG1-CD1 4.37Å; V316-L372 HydrophobicContact CG2-CD1 4.07Å; V316-W375 HydrophobicContact CG1-CZ3 4.38Å; V316-W375 HydrophobicContact CG2-CE3 4.48Å; V316-W375 HydrophobicContact CG2-CZ3 4.44Å; V316-F380 HydrophobicContact CG2-CE1 3.66Å; V316-F380 HydrophobicContact CG2-CZ 4.44Å; V316-P382 HydrophobicContact CG2-CB 3.74Å; V316-P382 HydrophobicContact CG2-CG 3.87Å; V316-A384 PolarHBondContact N-O 3.02Å; V316-I385 HydrophobicContact CB-CG1 4.14Å; V316-I385 HydrophobicContact CB-CG2 4.44Å; V316-I385 HydrophobicContact CG1-CG2 4.44Å; V316-V386 WeakPolarHBondContact O-CG1 3.5Å; V316-V386 PolarHBondContact O-N 3.09Å
317D97.3Very high91.7Very high2 Ų225.6 Ų25.61%0.01115%0.151CC..EExtended strand (participates in β ladder)trans-107.390.9169.5-170.81.4000109C320 G326 R337 G338 M339 V386D317-C320 HydrophobicContact CB-CB 3.96Å; D317-C320 WeakPolarHBondContact O-CB 3.33Å; D317-C320 WeakPolarHBondContact OD2-CB 3.42Å; D317-G326 WeakPolarHBondContact OD2-CA 3.37Å; D317-G326 PolarHBondContact OD2-N 3.22Å; D317-R337 PolarHBondContact N-O 3.46Å; D317-G338 VanDerWaalsContact O-CA 3.24Å; D317-G338 WeakPolarHBondContact O-CA 3.09Å; D317-M339 PolarHBondContact O-N 2.64Å; D317-M339 VanDerWaalsContact O-N 3.09Å; D317-V386 HydrophobicContact CB-CG1 4.03Å
318A96.6Very high91.5Very high0 Ų027.2 Ų27.20%016%0.162CC..EExtended strand (participates in β ladder)trans-86.4133.8-179.800000110.4V316 M339 A368 V386 V387 D388V316-A318 HydrophobicContact CG1-CB 4.26Å; A318-M339 HydrophobicContact CB-SD 3.86Å; A318-A368 HydrophobicContact CB-CB 4.08Å; A318-V386 PolarHBondContact N-O 3.37Å; A318-V387 HydrophobicContact CB-CG1 3.76Å; A318-D388 PolarHBondContact O-N 3.44Å
319Y94.3Very high91.7Very high44 Ų4423.5 Ų23.517%0.17314%0.142CC..THydrogen-bonded Turntrans66.341-170.2-43.7-79.6000111.6G321 M339 A368 V387 D388 P389 L394 L398Y319-G321 PolarHBondContact O-N 2.87Å; Y319-G321 VanDerWaalsContact O-N 3.11Å; Y319-M339 WeakPolarHBondContact CA-O 3.08Å; Y319-M339 PolarHBondContact N-O 2.85Å; Y319-A368 HydrophobicContact CE1-CB 4.06Å; Y319-A368 HydrophobicContact CE2-CB 4.08Å; Y319-V387 HydrophobicContact CD2-CB 4.38Å; Y319-V387 HydrophobicContact CE2-CB 4.47Å; Y319-D388 VanDerWaalsContact CB-O 3.31Å; Y319-D388 WeakPolarHBondContact CB-O 3.48Å; Y319-P389 HydrophobicContact CD2-CB 4.16Å; Y319-P389 HydrophobicContact CE2-CB 3.8Å; Y319-L394 HydrophobicContact CE2-CD2 4.2Å; Y319-L398 HydrophobicContact CE2-CD2 3.77Å; Y319-L398 WeakPolarHBondContact OH-CD2 3.36Å
320C93.3Very high92.1Very high8 Ų822.7 Ų22.75%0.05414%0.138CC..  trans-66.9-15.1-167.164.90000114.6D317 V322 G323 M339 Y363D317-C320 HydrophobicContact CB-CB 3.96Å; D317-C320 WeakPolarHBondContact O-CB 3.33Å; D317-C320 WeakPolarHBondContact OD2-CB 3.42Å; C320-V322 PolarHBondContact O-N 3.09Å; C320-V322 VanDerWaalsContact O-N 3.11Å; C320-G323 WeakPolarHBondContact O-CA 3.44Å; C320-G323 PolarHBondContact O-N 3.23Å; C320-M339 PolarHBondContact N-O 2.89Å; C320-M339 PolarHBondContact SG-N 3.38Å; C320-M339 VanDerWaalsContact SG-N 3.44Å; C320-M339 PolarHBondContact SG-O 3.39Å; C320-M339 VanDerWaalsContact SG-O 3.37Å; C320-Y363 HydrophobicContact CB-CE1 4.38Å
321G90.7Very high92.4Very high21 Ų2123.9 Ų23.922%0.21613%0.134CC..THydrogen-bonded Turntrans53.9-118.1-170.600000110.8Y319 G323 D340 A345Y319-G321 PolarHBondContact O-N 2.87Å; Y319-G321 VanDerWaalsContact O-N 3.11Å; G321-G323 VanDerWaalsContact C-N 3.26Å; G321-G323 PolarHBondContact O-N 3.18Å; G321-D340 WeakPolarHBondContact CA-OD2 3.47Å; G321-D340 PolarHBondContact N-OD2 3.14Å; G321-A345 CarbonylContact O-C 3.56Å; G321-A345 WeakPolarHBondContact O-CB 3.38Å
322V89.2Confident92.7Very high17 Ų1726.7 Ų26.710%0.10314%0.14CC..THydrogen-bonded Turntrans-87.614.8176.4-52.10000113.7V279 F281 C320 A345 D348 A349V279-V322 HydrophobicContact CG1-CG2 4.13Å; F281-V322 HydrophobicContact CD1-CB 4.38Å; F281-V322 HydrophobicContact CD1-CG1 4.18Å; F281-V322 HydrophobicContact CD1-CG2 3.32Å; F281-V322 HydrophobicContact CE1-CB 4.46Å; F281-V322 HydrophobicContact CE1-CG2 3.12Å; F281-V322 HydrophobicContact CE2-CG2 4.35Å; F281-V322 HydrophobicContact CG-CG2 4.07Å; F281-V322 HydrophobicContact CZ-CG2 3.7Å; C320-V322 PolarHBondContact O-N 3.09Å; C320-V322 VanDerWaalsContact O-N 3.11Å; V322-A345 WeakPolarHBondContact CA-O 3.33Å; V322-A345 HydrophobicContact CG1-CB 4.4Å; V322-D348 HydrophobicContact CB-CB 4.25Å; V322-D348 HydrophobicContact CG1-CB 3.92Å; V322-A349 VanDerWaalsContact C-CB 3.45Å; V322-A349 VanDerWaalsContact O-CA 3.27Å; V322-A349 WeakPolarHBondContact O-CA 3.36Å; V322-A349 WeakPolarHBondContact O-CB 3.4Å
323G90Very high93Very high0 Ų022.7 Ų22.70%011%0.114CC..THydrogen-bonded Turntrans80.318.5177.600000115C320 G321 I325 G326 L327C320-G323 WeakPolarHBondContact O-CA 3.44Å; C320-G323 PolarHBondContact O-N 3.23Å; G321-G323 VanDerWaalsContact C-N 3.26Å; G321-G323 PolarHBondContact O-N 3.18Å; G323-I325 VanDerWaalsContact C-N 3.31Å; G323-I325 PolarHBondContact O-N 2.92Å; G323-G326 PolarHBondContact O-N 3.13Å; G323-L327 WeakPolarHBondContact O-CB 3.43Å; G323-L327 WeakPolarHBondContact O-CG 3.34Å; G323-L327 PolarHBondContact O-N 3.28Å
324T90.3Very high93.2Very high5 Ų527.7 Ų27.73%0.03114%0.136CC..Hα-helixtrans-51.3-46.5-171.8-38.30000113.8I276 V279 F281 Y300 S328I276-T324 HydrophobicContact CB-CG2 4.39Å; I276-T324 HydrophobicContact CG2-CG2 4.31Å; V279-T324 HydrophobicContact CB-CG2 4.39Å; F281-T324 WeakPolarHBondContact CE1-OG1 3.42Å; F281-T324 HydrophobicContact CE2-CG2 4.35Å; F281-T324 HydrophobicContact CZ-CG2 3.8Å; F281-T324 WeakPolarHBondContact CZ-OG1 3.35Å; Y300-T324 HydrophobicContact CD2-CG2 3.51Å; Y300-T324 HydrophobicContact CE2-CG2 3.67Å; T324-S328 WeakPolarHBondContact O-CB 3.31Å; T324-S328 PolarHBondContact O-N 3.44Å; T324-S328 PolarHBondContact O-OG 3.3Å
325I92.1Very high93.2Very high7 Ų729.6 Ų29.64%0.03614%0.144CC..Hα-helixtrans-74.8-53.9-178.7-61.3168.5000109.3Y300 I304 G323 L327 S328 L329 V386 I413Y300-I325 HydrophobicContact CD1-CD1 3.95Å; Y300-I325 HydrophobicContact CD1-CG1 3.96Å; Y300-I325 HydrophobicContact CE1-CD1 4.13Å; Y300-I325 HydrophobicContact CE1-CG1 4.37Å; Y300-I325 HydrophobicContact CG-CG1 4.11Å; I304-I325 HydrophobicContact CG1-CG2 4.42Å; G323-I325 VanDerWaalsContact C-N 3.31Å; G323-I325 PolarHBondContact O-N 2.92Å; I325-L327 PolarHBondContact O-N 3.04Å; I325-S328 WeakPolarHBondContact O-CB 3.45Å; I325-S328 PolarHBondContact O-N 2.93Å; I325-L329 HydrophobicContact CG2-CD1 3.8Å; I325-L329 WeakPolarHBondContact O-CD1 3.43Å; I325-L329 VanDerWaalsContact O-CG 3.32Å; I325-L329 WeakPolarHBondContact O-CG 3.27Å; I325-L329 PolarHBondContact O-N 3.33Å; I325-V386 HydrophobicContact CD1-CG2 4.26Å; I325-V386 HydrophobicContact CG2-CG1 3.94Å; I325-V386 HydrophobicContact CG2-CG2 4.33Å; I325-I413 HydrophobicContact CD1-CD1 3.46Å; I325-I413 VanDerWaalsContact CD1-CD1 3.46Å
326G93.4Very high93.2Very high0 Ų029.6 Ų29.60%014%0.144CC..Hα-helixtrans-54.8-47.8-179.800000114.1D317 G323 S328 L329 A330D317-G326 WeakPolarHBondContact OD2-CA 3.37Å; D317-G326 PolarHBondContact OD2-N 3.22Å; G323-G326 PolarHBondContact O-N 3.13Å; G326-S328 VanDerWaalsContact C-N 3.34Å; G326-S328 PolarHBondContact O-N 2.87Å; G326-L329 PolarHBondContact O-N 3.33Å; G326-L329 VanDerWaalsContact O-N 3.12Å; G326-A330 PolarHBondContact O-N 3.07Å
327L93.8Very high93.2Very high1 Ų131.2 Ų31.21%0.00515%0.15CC..Hα-helixtrans-63.9-38.3178.1-65.1173.8000112.3V279 G323 I325 L329 A330 N352 A353 M356 L358 T361 Y363V279-L327 HydrophobicContact CG1-CD1 4.02Å; V279-L327 HydrophobicContact CG2-CB 3.89Å; V279-L327 HydrophobicContact CG2-CD1 3.9Å; G323-L327 WeakPolarHBondContact O-CB 3.43Å; G323-L327 WeakPolarHBondContact O-CG 3.34Å; G323-L327 PolarHBondContact O-N 3.28Å; I325-L327 PolarHBondContact O-N 3.04Å; L327-L329 PolarHBondContact O-N 2.75Å; L327-A330 WeakPolarHBondContact O-CB 3.42Å; L327-A330 PolarHBondContact O-N 3.42Å; L327-N352 HydrophobicContact CD1-CB 3.38Å; L327-A353 HydrophobicContact CD2-CB 3.74Å; L327-M356 HydrophobicContact CB-SD 4.13Å; L327-M356 HydrophobicContact CD1-SD 4.48Å; L327-L358 HydrophobicContact CB-CD1 4.39Å; L327-L358 HydrophobicContact CD2-CD1 3.8Å; L327-T361 HydrophobicContact CD2-CG2 4.32Å; L327-Y363 HydrophobicContact CD2-CE2 3.81Å; L327-Y363 VanDerWaalsContact CD2-OH 3.23Å; L327-Y363 WeakPolarHBondContact CD2-OH 3.43Å; L327-Y363 HydrophobicContact CG-CE2 4.46Å; L327-Y363 VanDerWaalsContact CG-OH 3.26Å; L327-Y363 WeakPolarHBondContact CG-OH 3.44Å; L327-Y363 PolarHBondContact N-OH 2.9Å
328S90.3Very high93.3Very high35 Ų3531.1 Ų31.125%0.24515%0.15CC..Hα-helixtrans-64.6-25.4176.2-61.10000112.4I304 T324 I325 G326I304-S328 VanDerWaalsContact CD1-CB 3.47Å; T324-S328 WeakPolarHBondContact O-CB 3.31Å; T324-S328 PolarHBondContact O-N 3.44Å; T324-S328 PolarHBondContact O-OG 3.3Å; I325-S328 WeakPolarHBondContact O-CB 3.45Å; I325-S328 PolarHBondContact O-N 2.93Å; G326-S328 VanDerWaalsContact C-N 3.34Å; G326-S328 PolarHBondContact O-N 2.87Å
329L91.8Very high93.3Very high4 Ų431.1 Ų31.12%0.02115%0.15CC..Hα-helixtrans-91.5-20.3178.3-62.8161.9000113I304 L307 L309 V315 I325 G326 L327 K331 K332 A333I304-L329 HydrophobicContact CB-CD2 4.26Å; I304-L329 HydrophobicContact CG1-CD2 4.12Å; I304-L329 HydrophobicContact CG1-CG 4.31Å; I304-L329 HydrophobicContact CG2-CD2 3.82Å; L307-L329 HydrophobicContact CD1-CD1 3.3Å; L307-L329 HydrophobicContact CD1-CD2 4.14Å; L307-L329 HydrophobicContact CD1-CG 4.35Å; L309-L329 HydrophobicContact CD1-CB 4.01Å; L309-L329 HydrophobicContact CD1-CD2 3.77Å; L309-L329 HydrophobicContact CD1-CG 4.38Å; L309-L329 HydrophobicContact CG-CD2 4.19Å; V315-L329 HydrophobicContact CG1-CD1 4.31Å; I325-L329 HydrophobicContact CG2-CD1 3.8Å; I325-L329 WeakPolarHBondContact O-CD1 3.43Å; I325-L329 VanDerWaalsContact O-CG 3.32Å; I325-L329 WeakPolarHBondContact O-CG 3.27Å; I325-L329 PolarHBondContact O-N 3.33Å; G326-L329 PolarHBondContact O-N 3.33Å; G326-L329 VanDerWaalsContact O-N 3.12Å; L327-L329 PolarHBondContact O-N 2.75Å; L329-K331 VanDerWaalsContact C-N 3.26Å; L329-K331 PolarHBondContact O-N 2.81Å; L329-K331 VanDerWaalsContact O-N 3.15Å; L329-K332 CarbonylContact O-C 3.54Å; L329-K332 WeakPolarHBondContact O-CA 3.35Å; L329-K332 PolarHBondContact O-N 3.37Å; L329-A333 WeakPolarHBondContact O-CB 3.24Å; L329-A333 PolarHBondContact O-N 3.34Å
330A92.9Very high93.4Very high1 Ų130 Ų301%0.00815%0.147CC..Hα-helixtrans-55.5-37.7-17000000113.2G326 L327 K332 A333 V336 L358 N360 T361G326-A330 PolarHBondContact O-N 3.07Å; L327-A330 WeakPolarHBondContact O-CB 3.42Å; L327-A330 PolarHBondContact O-N 3.42Å; A330-K332 PolarHBondContact O-N 2.84Å; A330-K332 VanDerWaalsContact O-N 3.15Å; A330-A333 PolarHBondContact O-N 2.92Å; A330-V336 HydrophobicContact CB-CG2 4.31Å; A330-L358 HydrophobicContact CB-CD1 3.58Å; A330-L358 HydrophobicContact CB-CD2 3.75Å; A330-L358 HydrophobicContact CB-CG 4.16Å; A330-N360 PolarHBondContact O-ND2 3.3Å; A330-T361 HydrophobicContact CB-CG2 3.62Å
331K89.3Confident93.4Very high135 Ų13533.8 Ų33.859%0.58717%0.169SC*.THydrogen-bonded Turntrans-61.5-21.9176.1-69.3176.7177.6164.80114E278 L329 L358E278-K331 VanDerWaalsContact CD-NZ 3.32Å; E278-K331 IonicContact OE1-NZ 3.8Å; E278-K331 PolarHBondContact OE1-NZ 3.13Å; E278-K331 VanDerWaalsContact OE1-NZ 3.12Å; E278-K331 IonicContact OE2-NZ 2.62Å; E278-K331 PolarHBondContact OE2-NZ 3.44Å; L329-K331 VanDerWaalsContact C-N 3.26Å; L329-K331 PolarHBondContact O-N 2.81Å; L329-K331 VanDerWaalsContact O-N 3.15Å; K331-L358 HydrophobicContact CG-CD2 4.14Å
332K89.7Confident93.4Very high138 Ų13836.8 Ų36.860%0.618%0.18SC*.THydrogen-bonded Turntrans-112.2-9-179.3-61.4-177.9-178179.70113.3L309 P312 L329 A330L309-K332 HydrophobicContact CB-CB 4.41Å; P312-K332 WeakPolarHBondContact CA-O 3.49Å; L329-K332 CarbonylContact O-C 3.54Å; L329-K332 WeakPolarHBondContact O-CA 3.35Å; L329-K332 PolarHBondContact O-N 3.37Å; A330-K332 PolarHBondContact O-N 2.84Å; A330-K332 VanDerWaalsContact O-N 3.15Å
333A94.1Very high93.6Very high10 Ų1039.5 Ų39.58%0.08320%0.198CC..  trans-93.1153.4-17700000111.4L309 V315 L329 A330 V336 N360L309-A333 HydrophobicContact CD1-CB 4.28Å; V315-A333 HydrophobicContact CG2-CB 4.28Å; L329-A333 WeakPolarHBondContact O-CB 3.24Å; L329-A333 PolarHBondContact O-N 3.34Å; A330-A333 PolarHBondContact O-N 2.92Å; A333-V336 HydrophobicContact CB-CG2 3.64Å; A333-N360 PolarHBondContact O-ND2 2.79Å
334K96Very high93.4Very high143 Ų14343.1 Ų43.162%0.62222%0.215SC*.SBendtrans-71.4-45.2168.2177.8179.3172.5-1740110.8P312 K313 T314P312-K334 HydrophobicContact CB-CB 4.19Å; K313-K334 PolarHBondContact O-N 2.9Å; T314-K334 HydrophobicContact CG2-CB 4.37Å; T314-K334 HydrophobicContact CG2-CD 4.03Å; T314-K334 HydrophobicContact CG2-CG 4.37Å
335E97.1Very high93.4Very high50 Ų5043.5 Ų43.523%0.23422%0.218CC..EExtended strand (participates in β ladder)trans-154.8140.7178.5-176.2-176.8176.200108.1T314 V315 R337 N360T314-E335 CarbonylContact C-O 3.59Å; T314-E335 WeakPolarHBondContact CA-O 3.4Å; T314-E335 HydrophobicContact CG2-CB 4.23Å; V315-E335 PolarHBondContact N-O 2.71Å; E335-R337 HydrophobicContact CG-CG 4.41Å; E335-R337 IonicContact OE1-CZ 3.26Å; E335-R337 VanDerWaalsContact OE1-CZ 3.26Å; E335-R337 IonicContact OE1-NE 2.71Å; E335-R337 PolarHBondContact OE1-NE 3.24Å; E335-R337 IonicContact OE1-NH2 2.91Å; E335-R337 PolarHBondContact OE1-NH2 2.69Å; E335-R337 IonicContact OE2-NH2 3.64Å; E335-N360 CarbonylContact C-O 3.48Å; E335-N360 WeakPolarHBondContact CA-O 3.49Å
336V97.6Very high93.5Very high0 Ų043.2 Ų43.20%022%0.217CC..EExtended strand (participates in β ladder)trans-117.5126.2170.6-177.60000109.1V315 A330 A333 N360 T361 R362V315-V336 HydrophobicContact CB-CG2 4.47Å; V315-V336 CarbonylContact O-C 3.57Å; V315-V336 WeakPolarHBondContact O-CA 3.42Å; A330-V336 HydrophobicContact CB-CG2 4.31Å; A333-V336 HydrophobicContact CB-CG2 3.64Å; V336-N360 PolarHBondContact N-O 3.45Å; V336-T361 HydrophobicContact CB-CG2 4.19Å; V336-T361 CarbonylContact O-C 3.58Å; V336-T361 WeakPolarHBondContact O-CA 3.3Å; V336-R362 PolarHBondContact O-N 3.17Å
337R98.1Very high93.5Very high34 Ų3447.1 Ų47.113%0.12824%0.237CC..EExtended strand (participates in β ladder)trans-112.5116.4171-63.7-167.3-178.3179.17110.4V315 V316 D317 E335 R362 W375 F380V315-R337 PolarHBondContact O-N 2.83Å; V316-R337 CarbonylContact C-O 3.58Å; V316-R337 VanDerWaalsContact CA-O 3.29Å; V316-R337 WeakPolarHBondContact CA-O 3.47Å; D317-R337 PolarHBondContact N-O 3.46Å; E335-R337 HydrophobicContact CG-CG 4.41Å; E335-R337 IonicContact OE1-CZ 3.26Å; E335-R337 VanDerWaalsContact OE1-CZ 3.26Å; E335-R337 IonicContact OE1-NE 2.71Å; E335-R337 PolarHBondContact OE1-NE 3.24Å; E335-R337 IonicContact OE1-NH2 2.91Å; E335-R337 PolarHBondContact OE1-NH2 2.69Å; E335-R337 IonicContact OE2-NH2 3.64Å; R337-R362 CarbonylContact C-O 3.48Å; R337-R362 VanDerWaalsContact CA-O 3.28Å; R337-R362 WeakPolarHBondContact CA-O 3.23Å; R337-R362 HydrophobicContact CG-CB 4.44Å; R337-W375 HydrophobicContact CB-CE3 4.27Å; R337-W375 HydrophobicContact CB-CH2 3.89Å; R337-W375 HydrophobicContact CB-CZ3 3.67Å; R337-F380 HydrophobicContact CG-CE1 4.41Å; R337-F380 HydrophobicContact CG-CZ 4.04Å; R337-F380 VanDerWaalsContact CZ-CD2 3.44Å
338G97.8Very high93.3Very high0 Ų047.3 Ų47.30%024%0.239CC..EExtended strand (participates in β ladder)trans-107.4148.5176.300000112.5D317 R362 Y363 E364D317-G338 VanDerWaalsContact O-CA 3.24Å; D317-G338 WeakPolarHBondContact O-CA 3.09Å; G338-R362 PolarHBondContact N-O 3.46Å; G338-Y363 WeakPolarHBondContact O-CA 3.31Å; G338-E364 PolarHBondContact O-N 3.28Å
339M97.4Very high93.5Very high1 Ų145.7 Ų45.71%0.00523%0.227CC..EExtended strand (participates in β ladder)trans-138.8148.3167.267.9-81.5-97.300113.2V316 D317 A318 Y319 C320 E364 A368 L371 L372 W375V316-M339 HydrophobicContact CG1-CE 4.27Å; V316-M339 HydrophobicContact CG1-SD 4.04Å; D317-M339 PolarHBondContact O-N 2.64Å; D317-M339 VanDerWaalsContact O-N 3.09Å; A318-M339 HydrophobicContact CB-SD 3.86Å; Y319-M339 WeakPolarHBondContact CA-O 3.08Å; Y319-M339 PolarHBondContact N-O 2.85Å; C320-M339 PolarHBondContact N-O 2.89Å; C320-M339 PolarHBondContact SG-N 3.38Å; C320-M339 VanDerWaalsContact SG-N 3.44Å; C320-M339 PolarHBondContact SG-O 3.39Å; C320-M339 VanDerWaalsContact SG-O 3.37Å; M339-E364 WeakPolarHBondContact CA-O 3.38Å; M339-E364 WeakPolarHBondContact CB-O 3.5Å; M339-A368 HydrophobicContact CG-CB 4.22Å; M339-A368 HydrophobicContact SD-CB 4.47Å; M339-L371 HydrophobicContact CB-CD1 3.52Å; M339-L371 HydrophobicContact CE-CB 3.68Å; M339-L371 HydrophobicContact CG-CB 4.49Å; M339-L371 HydrophobicContact CG-CD1 4.19Å; M339-L372 HydrophobicContact CE-CB 3.9Å; M339-W375 HydrophobicContact CB-CH2 4.21Å; M339-W375 HydrophobicContact CE-CE3 3.77Å; M339-W375 HydrophobicContact CE-CH2 3.47Å; M339-W375 VanDerWaalsContact CE-CH2 3.47Å; M339-W375 HydrophobicContact CE-CZ2 4.35Å; M339-W375 HydrophobicContact CE-CZ3 3.12Å; M339-W375 HydrophobicContact SD-CH2 3.97Å; M339-W375 HydrophobicContact SD-CZ3 3.87Å
340D95.6Very high93.6Very high20 Ų2049.4 Ų49.411%0.10724%0.244CC..EExtended strand (participates in β ladder)trans-152.9157173.3-157.2-75.2000109.9G321 I342 I346 V365 G366G321-D340 WeakPolarHBondContact CA-OD2 3.47Å; G321-D340 PolarHBondContact N-OD2 3.14Å; D340-I342 WeakPolarHBondContact OD1-CG1 3.1Å; D340-I342 PolarHBondContact OD1-N 2.84Å; D340-I346 HydrophobicContact CB-CD1 3.86Å; D340-I346 HydrophobicContact CB-CG1 4.16Å; D340-V365 WeakPolarHBondContact O-CA 3.39Å; D340-G366 CarbonylContact C-O 3.47Å; D340-G366 VanDerWaalsContact C-O 3.27Å; D340-G366 PolarHBondContact O-N 2.77Å
341V94.6Very high93.6Very high87 Ų8753.8 Ų53.853%0.52726%0.263SS..SBendtrans-82.9-15.1179.6-600000112.8P343 T367V341-P343 WeakPolarHBondContact O-CD 3.49Å; V341-T367 HydrophobicContact CG1-CG2 3.74Å
342I90.1Very high93.8Very high85 Ų8548 Ų4844%0.43624%0.238SC..  trans-93.2110.2-176.9-55.7178.5000109.5D340 Q344 A345 I346D340-I342 WeakPolarHBondContact OD1-CG1 3.1Å; D340-I342 PolarHBondContact OD1-N 2.84Å; I342-Q344 VanDerWaalsContact C-N 3.33Å; I342-Q344 HydrophobicContact CG2-CB 4.33Å; I342-Q344 PolarHBondContact O-N 3.02Å; I342-A345 HydrophobicContact CB-CB 3.91Å; I342-A345 HydrophobicContact CG2-CB 4.06Å; I342-A345 WeakPolarHBondContact O-CB 3.3Å; I342-A345 PolarHBondContact O-N 3.11Å; I342-I346 PolarHBondContact O-N 2.83Å
343P92.7Very high94.1Very high73 Ų7341.6 Ų41.647%0.47421%0.212SC..Hα-helixtrans-55.7-45-178.6-25.734.4000113.5V341 A345 I346 D347 V365V341-P343 WeakPolarHBondContact O-CD 3.49Å; P343-A345 PolarHBondContact O-N 2.83Å; P343-I346 PolarHBondContact O-N 3.49Å; P343-I346 VanDerWaalsContact O-N 3.08Å; P343-D347 PolarHBondContact O-N 2.96Å; P343-V365 HydrophobicContact CB-CG2 4.26Å; P343-V365 HydrophobicContact CG-CG1 4.1Å
344Q87.5Confident94.1Very high77 Ų7748.1 Ų48.136%0.3624%0.241SC..Hα-helixtrans-58.2-36.8178-177.9173.113.800112.6I342 I346 D347 D348I342-Q344 VanDerWaalsContact C-N 3.33Å; I342-Q344 HydrophobicContact CG2-CB 4.33Å; I342-Q344 PolarHBondContact O-N 3.02Å; Q344-I346 VanDerWaalsContact C-N 3.33Å; Q344-D347 PolarHBondContact O-N 3.04Å; Q344-D348 VanDerWaalsContact O-CG 3.27Å; Q344-D348 PolarHBondContact O-N 2.97Å
345A88.6Confident93.9Very high12 Ų1245.2 Ų45.210%0.09924%0.243CC..Hα-helixtrans-68.3-37.3179.500000111.2G321 V322 I342 P343 D348 A349G321-A345 CarbonylContact O-C 3.56Å; G321-A345 WeakPolarHBondContact O-CB 3.38Å; V322-A345 WeakPolarHBondContact CA-O 3.33Å; V322-A345 HydrophobicContact CG1-CB 4.4Å; I342-A345 HydrophobicContact CB-CB 3.91Å; I342-A345 HydrophobicContact CG2-CB 4.06Å; I342-A345 WeakPolarHBondContact O-CB 3.3Å; I342-A345 PolarHBondContact O-N 3.11Å; P343-A345 PolarHBondContact O-N 2.83Å; A345-D348 PolarHBondContact O-N 2.82Å; A345-A349 WeakPolarHBondContact O-CB 3.42Å; A345-A349 PolarHBondContact O-N 2.95Å
346I94.8Very high93.7Very high2 Ų244.3 Ų44.31%0.0124%0.239CC..Hα-helixtrans-68.8-41.4174.9-65.2-62.6000111.9D340 I342 P343 Q344 D348 A349 Q350 V365D340-I346 HydrophobicContact CB-CD1 3.86Å; D340-I346 HydrophobicContact CB-CG1 4.16Å; I342-I346 PolarHBondContact O-N 2.83Å; P343-I346 PolarHBondContact O-N 3.49Å; P343-I346 VanDerWaalsContact O-N 3.08Å; Q344-I346 VanDerWaalsContact C-N 3.33Å; I346-D348 VanDerWaalsContact C-N 3.28Å; I346-D348 PolarHBondContact O-N 3.37Å; I346-A349 WeakPolarHBondContact O-CB 3.31Å; I346-A349 PolarHBondContact O-N 2.92Å; I346-Q350 WeakPolarHBondContact O-CG 3.44Å; I346-Q350 PolarHBondContact O-N 3.02Å; I346-V365 HydrophobicContact CB-CG2 3.81Å; I346-V365 HydrophobicContact CG1-CG2 3.86Å; I346-V365 HydrophobicContact CG2-CG2 3.9Å
347D92.9Very high93.6Very high81 Ų8150.1 Ų50.143%0.43328%0.275SS..Hα-helixtrans-58.1-44.3173.4-65-22.1000110.5P343 Q344 Q350 K351P343-D347 PolarHBondContact O-N 2.96Å; Q344-D347 PolarHBondContact O-N 3.04Å; D347-Q350 PolarHBondContact O-N 2.87Å; D347-K351 WeakPolarHBondContact O-CG 3.47Å; D347-K351 PolarHBondContact O-N 2.99Å
348D91.1Very high93.5Very high6 Ų649.5 Ų49.53%0.03227%0.274CS..Hα-helixtrans-67.5-35.3176.6-67.6-18.5000112.3V322 Q344 A345 I346 Q350 K351 N352V322-D348 HydrophobicContact CB-CB 4.25Å; V322-D348 HydrophobicContact CG1-CB 3.92Å; Q344-D348 VanDerWaalsContact O-CG 3.27Å; Q344-D348 PolarHBondContact O-N 2.97Å; A345-D348 PolarHBondContact O-N 2.82Å; I346-D348 VanDerWaalsContact C-N 3.28Å; I346-D348 PolarHBondContact O-N 3.37Å; D348-Q350 VanDerWaalsContact C-N 3.33Å; D348-Q350 PolarHBondContact O-N 3.11Å; D348-K351 PolarHBondContact O-N 3Å; D348-K351 IonicContact OD1-NZ 3.61Å; D348-K351 PolarHBondContact OD1-NZ 2.74Å; D348-N352 WeakPolarHBondContact O-CB 3.49Å; D348-N352 PolarHBondContact O-N 2.87Å; D348-N352 PolarHBondContact O-ND2 3.05Å
349A93Very high93.4Very high0 Ų056.2 Ų56.20%032%0.315CS..Hα-helixtrans-62.5-40.7173.600000111.9V322 A345 I346 A353 Y363V322-A349 VanDerWaalsContact C-CB 3.45Å; V322-A349 VanDerWaalsContact O-CA 3.27Å; V322-A349 WeakPolarHBondContact O-CA 3.36Å; V322-A349 WeakPolarHBondContact O-CB 3.4Å; A345-A349 WeakPolarHBondContact O-CB 3.42Å; A345-A349 PolarHBondContact O-N 2.95Å; I346-A349 WeakPolarHBondContact O-CB 3.31Å; I346-A349 PolarHBondContact O-N 2.92Å; A349-A353 PolarHBondContact O-N 3.12Å; A349-Y363 HydrophobicContact CB-CD1 3.76Å; A349-Y363 HydrophobicContact CB-CD2 3.87Å; A349-Y363 HydrophobicContact CB-CE1 4.03Å; A349-Y363 HydrophobicContact CB-CE2 4.12Å; A349-Y363 HydrophobicContact CB-CG 3.71Å
350Q95.3Very high93.3Very high83 Ų8358 Ų5839%0.38833%0.325SS..Hα-helixtrans-67.3-47.7175.9-68.6173.56.800111.6I346 D347 D348 N352 A353 E354 Y363I346-Q350 WeakPolarHBondContact O-CG 3.44Å; I346-Q350 PolarHBondContact O-N 3.02Å; D347-Q350 PolarHBondContact O-N 2.87Å; D348-Q350 VanDerWaalsContact C-N 3.33Å; D348-Q350 PolarHBondContact O-N 3.11Å; Q350-N352 VanDerWaalsContact C-N 3.29Å; Q350-N352 PolarHBondContact O-N 3.41Å; Q350-A353 WeakPolarHBondContact O-CB 3.47Å; Q350-A353 PolarHBondContact O-N 3.23Å; Q350-A353 VanDerWaalsContact O-N 3.12Å; Q350-E354 WeakPolarHBondContact O-CG 3.42Å; Q350-E354 PolarHBondContact O-N 3.13Å; Q350-Y363 HydrophobicContact CG-CD2 4.5Å; Q350-Y363 PolarHBondContact NE2-O 3.46Å
351K93.4Very high93.4Very high93 Ų9358.4 Ų58.440%0.40433%0.328SS..Hα-helixtrans-57-42.3174.4-70173.4-166.4159.30112.1E282 D347 D348 E354 A355E282-K351 IonicContact OE1-NZ 3.94Å; E282-K351 IonicContact OE2-NZ 3.12Å; E282-K351 PolarHBondContact OE2-NZ 2.85Å; D347-K351 WeakPolarHBondContact O-CG 3.47Å; D347-K351 PolarHBondContact O-N 2.99Å; D348-K351 PolarHBondContact O-N 3Å; D348-K351 IonicContact OD1-NZ 3.61Å; D348-K351 PolarHBondContact OD1-NZ 2.74Å; K351-E354 PolarHBondContact O-N 3.14Å; K351-A355 WeakPolarHBondContact O-CB 3.46Å; K351-A355 PolarHBondContact O-N 2.86Å
352N93Very high93.6Very high12 Ų1259.2 Ų59.26%0.06432%0.321CS..Hα-helixtrans-66-40.8177-80.3-61.1000111.8V279 S280 L327 D348 Q350 E354 A355 M356V279-N352 HydrophobicContact CG1-CB 4.3Å; S280-N352 PolarHBondContact N-OD1 2.85Å; S280-N352 PolarHBondContact O-ND2 3.46Å; S280-N352 PolarHBondContact O-OD1 2.71Å; S280-N352 VanDerWaalsContact O-OD1 3.13Å; L327-N352 HydrophobicContact CD1-CB 3.38Å; D348-N352 WeakPolarHBondContact O-CB 3.49Å; D348-N352 PolarHBondContact O-N 2.87Å; D348-N352 PolarHBondContact O-ND2 3.05Å; Q350-N352 VanDerWaalsContact C-N 3.29Å; Q350-N352 PolarHBondContact O-N 3.41Å; N352-E354 VanDerWaalsContact C-N 3.34Å; N352-E354 PolarHBondContact O-N 3.13Å; N352-A355 PolarHBondContact O-N 3.29Å; N352-M356 WeakPolarHBondContact O-CB 3.29Å; N352-M356 VanDerWaalsContact O-CG 3.24Å; N352-M356 WeakPolarHBondContact O-CG 3.39Å; N352-M356 PolarHBondContact O-N 3.25Å
353A95Very high93.9Very high5 Ų555.8 Ų55.84%0.04130%0.303CS..Hα-helixtrans-58.5-46.6173.800000111.6L327 A349 Q350 M356 T357 L358 T361 Y363L327-A353 HydrophobicContact CD2-CB 3.74Å; A349-A353 PolarHBondContact O-N 3.12Å; Q350-A353 WeakPolarHBondContact O-CB 3.47Å; Q350-A353 PolarHBondContact O-N 3.23Å; Q350-A353 VanDerWaalsContact O-N 3.12Å; A353-M356 CarbonylContact O-C 3.43Å; A353-M356 PolarHBondContact O-N 3.34Å; A353-T357 PolarHBondContact O-N 3.18Å; A353-T357 VanDerWaalsContact O-N 3.08Å; A353-L358 HydrophobicContact CB-CB 4.36Å; A353-L358 PolarHBondContact O-N 3.27Å; A353-T361 WeakPolarHBondContact CB-OG1 3.3Å; A353-Y363 HydrophobicContact CB-CE2 4.48Å
354E95.1Very high94.1Very high147 Ų14754.2 Ų54.269%0.68729%0.29SS*.Hα-helixtrans-61.2-47.6176.4-70.4175.7-177.800111.8Q350 K351 N352 M356 T357Q350-E354 WeakPolarHBondContact O-CG 3.42Å; Q350-E354 PolarHBondContact O-N 3.13Å; K351-E354 PolarHBondContact O-N 3.14Å; N352-E354 VanDerWaalsContact C-N 3.34Å; N352-E354 PolarHBondContact O-N 3.13Å; E354-M356 PolarHBondContact O-N 3.19Å; E354-T357 WeakPolarHBondContact O-CA 3.46Å; E354-T357 PolarHBondContact O-N 3.4Å
355A92.2Very high94.6Very high82 Ų8253.9 Ų53.968%0.67829%0.293SS*.Hα-helixtrans-61.6-32178.200000112.7K351 N352 T357K351-A355 WeakPolarHBondContact O-CB 3.46Å; K351-A355 PolarHBondContact O-N 2.86Å; N352-A355 PolarHBondContact O-N 3.29Å; A355-T357 VanDerWaalsContact C-N 3.31Å
356M92.7Very high95Very high31 Ų3154.3 Ų54.315%0.15330%0.298CS..THydrogen-bonded Turntrans-86.71.2174.9-65.6175.470.400113.2E278 V279 L327 N352 A353 E354 L358E278-M356 HydrophobicContact CB-CE 3.9Å; E278-M356 HydrophobicContact CB-SD 4.45Å; E278-M356 WeakPolarHBondContact OE2-CE 3.24Å; V279-M356 HydrophobicContact CG2-SD 4.18Å; L327-M356 HydrophobicContact CB-SD 4.13Å; L327-M356 HydrophobicContact CD1-SD 4.48Å; N352-M356 WeakPolarHBondContact O-CB 3.29Å; N352-M356 VanDerWaalsContact O-CG 3.24Å; N352-M356 WeakPolarHBondContact O-CG 3.39Å; N352-M356 PolarHBondContact O-N 3.25Å; A353-M356 CarbonylContact O-C 3.43Å; A353-M356 PolarHBondContact O-N 3.34Å; E354-M356 PolarHBondContact O-N 3.19Å; M356-L358 VanDerWaalsContact C-N 3.25Å; M356-L358 HydrophobicContact CB-CD1 3.74Å; M356-L358 HydrophobicContact CB-CG 3.75Å; M356-L358 HydrophobicContact CE-CD1 3.99Å; M356-L358 PolarHBondContact O-N 3.12Å; M356-L358 HydrophobicContact SD-CD1 4.07Å
357T95.1Very high95.1Very high121 Ų12156.5 Ų56.574%0.74231%0.312SS*.THydrogen-bonded Turntrans56.338-176.9-44.20000112.5A353 E354 A355A353-T357 PolarHBondContact O-N 3.18Å; A353-T357 VanDerWaalsContact O-N 3.08Å; E354-T357 WeakPolarHBondContact O-CA 3.46Å; E354-T357 PolarHBondContact O-N 3.4Å; A355-T357 VanDerWaalsContact C-N 3.31Å
358L95.3Very high95.3Very high22 Ų2252.7 Ų52.712%0.11529%0.292CS..  trans-92.7122.5179.3-63.2171000110.2L327 A330 K331 A353 M356 T361L327-L358 HydrophobicContact CB-CD1 4.39Å; L327-L358 HydrophobicContact CD2-CD1 3.8Å; A330-L358 HydrophobicContact CB-CD1 3.58Å; A330-L358 HydrophobicContact CB-CD2 3.75Å; A330-L358 HydrophobicContact CB-CG 4.16Å; K331-L358 HydrophobicContact CG-CD2 4.14Å; A353-L358 HydrophobicContact CB-CB 4.36Å; A353-L358 PolarHBondContact O-N 3.27Å; M356-L358 VanDerWaalsContact C-N 3.25Å; M356-L358 HydrophobicContact CB-CD1 3.74Å; M356-L358 HydrophobicContact CB-CG 3.75Å; M356-L358 HydrophobicContact CE-CD1 3.99Å; M356-L358 PolarHBondContact O-N 3.12Å; M356-L358 HydrophobicContact SD-CD1 4.07Å; L358-T361 HydrophobicContact CB-CG2 4.19Å; L358-T361 HydrophobicContact CD1-CG2 4.45Å
359T95.5Very high95.5Very high140 Ų14054.6 Ų54.686%0.85930%0.3SS*.  trans-108.6-5.9-179.656.70000113.5
360N96.9Very high95.7Very high40 Ų4058 Ų5821%0.21432%0.324CS..SBendtrans-102.425.3-176.667.6-31.6000113A330 A333 E335 V336A330-N360 PolarHBondContact O-ND2 3.3Å; A333-N360 PolarHBondContact O-ND2 2.79Å; E335-N360 CarbonylContact C-O 3.48Å; E335-N360 WeakPolarHBondContact CA-O 3.49Å; V336-N360 PolarHBondContact N-O 3.45Å
361T97.2Very high95.8Very high28 Ų2854.4 Ų54.417%0.17231%0.308CS..EExtended strand (participates in β ladder)trans-123.1138.3-178.462.90000111.4L327 A330 V336 A353 L358L327-T361 HydrophobicContact CD2-CG2 4.32Å; A330-T361 HydrophobicContact CB-CG2 3.62Å; V336-T361 HydrophobicContact CB-CG2 4.19Å; V336-T361 CarbonylContact O-C 3.58Å; V336-T361 WeakPolarHBondContact O-CA 3.3Å; A353-T361 WeakPolarHBondContact CB-OG1 3.3Å; L358-T361 HydrophobicContact CB-CG2 4.19Å; L358-T361 HydrophobicContact CD1-CG2 4.45Å
362R97.3Very high95.9Very high103 Ų10350 Ų5039%0.38929%0.288SS..EExtended strand (participates in β ladder)trans-129.9125.1174.3175.1178.8169.6179.4-4.6109.8V336 R337 G338 E364V336-R362 PolarHBondContact O-N 3.17Å; R337-R362 CarbonylContact C-O 3.48Å; R337-R362 VanDerWaalsContact CA-O 3.28Å; R337-R362 WeakPolarHBondContact CA-O 3.23Å; R337-R362 HydrophobicContact CG-CB 4.44Å; G338-R362 PolarHBondContact N-O 3.46Å; R362-E364 IonicContact CZ-OE2 2.81Å; R362-E364 IonicContact NE-OE2 3.42Å; R362-E364 IonicContact NH2-OE2 3.72Å; R362-E364 PolarHBondContact NH2-OE2 2.91Å
363Y97.3Very high96.1Very high13 Ų1350.7 Ų50.75%0.05129%0.293CS..EExtended strand (participates in β ladder)trans-118.3128.8177.9-66.2-79.1000110.5C320 L327 G338 A349 Q350 A353C320-Y363 HydrophobicContact CB-CE1 4.38Å; L327-Y363 HydrophobicContact CD2-CE2 3.81Å; L327-Y363 VanDerWaalsContact CD2-OH 3.23Å; L327-Y363 WeakPolarHBondContact CD2-OH 3.43Å; L327-Y363 HydrophobicContact CG-CE2 4.46Å; L327-Y363 VanDerWaalsContact CG-OH 3.26Å; L327-Y363 WeakPolarHBondContact CG-OH 3.44Å; L327-Y363 PolarHBondContact N-OH 2.9Å; G338-Y363 WeakPolarHBondContact O-CA 3.31Å; A349-Y363 HydrophobicContact CB-CD1 3.76Å; A349-Y363 HydrophobicContact CB-CD2 3.87Å; A349-Y363 HydrophobicContact CB-CE1 4.03Å; A349-Y363 HydrophobicContact CB-CE2 4.12Å; A349-Y363 HydrophobicContact CB-CG 3.71Å; Q350-Y363 HydrophobicContact CG-CD2 4.5Å; Q350-Y363 PolarHBondContact NE2-O 3.46Å; A353-Y363 HydrophobicContact CB-CE2 4.48Å
364E97.7Very high96.2Very high41 Ų4154.4 Ų54.419%0.19231%0.309CS..EExtended strand (participates in β ladder)trans-126.5133.5-176.5-170.4168.1159.200110.8G338 M339 R362 G366 L371 K374 W375G338-E364 PolarHBondContact O-N 3.28Å; M339-E364 WeakPolarHBondContact CA-O 3.38Å; M339-E364 WeakPolarHBondContact CB-O 3.5Å; R362-E364 IonicContact CZ-OE2 2.81Å; R362-E364 IonicContact NE-OE2 3.42Å; R362-E364 IonicContact NH2-OE2 3.72Å; R362-E364 PolarHBondContact NH2-OE2 2.91Å; E364-G366 PolarHBondContact O-N 2.84Å; E364-L371 HydrophobicContact CB-CD1 4.03Å; E364-L371 HydrophobicContact CG-CD1 3.91Å; E364-L371 HydrophobicContact CG-CD2 4.14Å; E364-L371 WeakPolarHBondContact OE1-CD2 3.24Å; E364-K374 IonicContact OE1-NZ 3.65Å; E364-K374 PolarHBondContact OE1-NZ 3.17Å; E364-W375 HydrophobicContact CB-CZ2 4.19Å
365V97.9Very high96.3Very high70 Ų7047.4 Ų47.442%0.42428%0.276SS..EExtended strand (participates in β ladder)trans-72122.8172-178.50000109D340 P343 I346D340-V365 WeakPolarHBondContact O-CA 3.39Å; P343-V365 HydrophobicContact CB-CG2 4.26Å; P343-V365 HydrophobicContact CG-CG1 4.1Å; I346-V365 HydrophobicContact CB-CG2 3.81Å; I346-V365 HydrophobicContact CG1-CG2 3.86Å; I346-V365 HydrophobicContact CG2-CG2 3.9Å
366G96.9Very high96.5Very high21 Ų2145 Ų4522%0.21625%0.252CS..SBendtrans161.2172.1176.100000112.7D340 E364D340-G366 CarbonylContact C-O 3.47Å; D340-G366 VanDerWaalsContact C-O 3.27Å; D340-G366 PolarHBondContact O-N 2.77Å; E364-G366 PolarHBondContact O-N 2.84Å
367T96.5Very high96.5Very high47 Ų4752.2 Ų52.229%0.28828%0.282SS..  trans-81145.8178.9720000110.9V341 E369 S370 L371V341-T367 HydrophobicContact CG1-CG2 3.74Å; T367-E369 WeakPolarHBondContact CB-OE1 3.19Å; T367-E369 WeakPolarHBondContact CB-OE2 3.48Å; T367-E369 WeakPolarHBondContact CG2-OE1 3.1Å; T367-E369 PolarHBondContact O-N 3.34Å; T367-E369 PolarHBondContact OG1-OE1 3.3Å; T367-S370 PolarHBondContact O-N 3.46Å; T367-S370 VanDerWaalsContact O-N 3.07Å; T367-S370 WeakPolarHBondContact OG1-CB 3.44Å; T367-S370 PolarHBondContact OG1-N 2.94Å; T367-L371 PolarHBondContact O-N 3.49Å
368A96.3Very high96.6Very high2 Ų252.1 Ų52.12%0.01727%0.273CS..Hα-helixtrans-61.6-36.417900000111.7A318 Y319 M339 S370 L372 L398A318-A368 HydrophobicContact CB-CB 4.08Å; Y319-A368 HydrophobicContact CE1-CB 4.06Å; Y319-A368 HydrophobicContact CE2-CB 4.08Å; M339-A368 HydrophobicContact CG-CB 4.22Å; M339-A368 HydrophobicContact SD-CB 4.47Å; A368-S370 PolarHBondContact O-N 2.94Å; A368-L372 WeakPolarHBondContact O-CB 3.32Å; A368-L372 PolarHBondContact O-N 2.96Å; A368-L372 VanDerWaalsContact O-N 3.08Å; A368-L398 HydrophobicContact CB-CD1 4.23Å; A368-L398 HydrophobicContact CB-CD2 3.83Å
369E95.3Very high96.5Very high45 Ų4554.1 Ų54.121%0.2130%0.299CS..Hα-helixtrans-70.3-11.817668.5-84.5-17300114.9T367 P373 D395 Q397 L398T367-E369 WeakPolarHBondContact CB-OE1 3.19Å; T367-E369 WeakPolarHBondContact CB-OE2 3.48Å; T367-E369 WeakPolarHBondContact CG2-OE1 3.1Å; T367-E369 PolarHBondContact O-N 3.34Å; T367-E369 PolarHBondContact OG1-OE1 3.3Å; E369-P373 VanDerWaalsContact O-CG 3.27Å; E369-P373 WeakPolarHBondContact O-CG 3.32Å; E369-D395 HydrophobicContact CB-CB 4.08Å; E369-D395 WeakPolarHBondContact CB-OD1 3.21Å; E369-D395 HydrophobicContact CG-CB 4.29Å; E369-Q397 HydrophobicContact CB-CB 3.95Å; E369-L398 HydrophobicContact CB-CB 3.98Å
370S96.9Very high96.5Very high71 Ų7148.4 Ų48.450%0.49726%0.262SS..Hα-helixtrans-99.4-48.3172.1-176.60000111.6T367 A368 K374T367-S370 PolarHBondContact O-N 3.46Å; T367-S370 VanDerWaalsContact O-N 3.07Å; T367-S370 WeakPolarHBondContact OG1-CB 3.44Å; T367-S370 PolarHBondContact OG1-N 2.94Å; A368-S370 PolarHBondContact O-N 2.94Å; S370-K374 WeakPolarHBondContact O-CB 3.42Å; S370-K374 PolarHBondContact O-N 2.76Å
371L97.6Very high96.4Very high9 Ų950.9 Ų50.95%0.04728%0.282CS..Hα-helixtrans-77.3-41.5-170.7-69.5178000113.3M339 E364 T367 K374 W375M339-L371 HydrophobicContact CB-CD1 3.52Å; M339-L371 HydrophobicContact CE-CB 3.68Å; M339-L371 HydrophobicContact CG-CB 4.49Å; M339-L371 HydrophobicContact CG-CD1 4.19Å; E364-L371 HydrophobicContact CB-CD1 4.03Å; E364-L371 HydrophobicContact CG-CD1 3.91Å; E364-L371 HydrophobicContact CG-CD2 4.14Å; E364-L371 WeakPolarHBondContact OE1-CD2 3.24Å; T367-L371 PolarHBondContact O-N 3.49Å; L371-K374 HydrophobicContact CD2-CD 4.39Å; L371-K374 WeakPolarHBondContact O-CB 3.41Å; L371-K374 PolarHBondContact O-N 2.82Å; L371-W375 HydrophobicContact CB-CH2 4.37Å; L371-W375 HydrophobicContact CB-CZ2 4.03Å; L371-W375 HydrophobicContact CD1-CZ2 4.32Å; L371-W375 VanDerWaalsContact O-CG 3.22Å; L371-W375 PolarHBondContact O-N 3.41Å
372L97.2Very high96.4Very high0 Ų049.6 Ų49.60%027%0.274CS..Hα-helixtrans-63-49.3178.8-179.364.2000111.5V316 M339 A368 K374 W375 L376 I385 L398 I402V316-L372 HydrophobicContact CG1-CD1 4.37Å; V316-L372 HydrophobicContact CG2-CD1 4.07Å; M339-L372 HydrophobicContact CE-CB 3.9Å; A368-L372 WeakPolarHBondContact O-CB 3.32Å; A368-L372 PolarHBondContact O-N 2.96Å; A368-L372 VanDerWaalsContact O-N 3.08Å; L372-K374 VanDerWaalsContact C-N 3.26Å; L372-K374 PolarHBondContact O-N 2.81Å; L372-W375 PolarHBondContact O-N 3.45Å; L372-L376 HydrophobicContact CD1-CD1 4.29Å; L372-L376 HydrophobicContact CD1-CG 4.19Å; L372-L376 HydrophobicContact CG-CD1 3.97Å; L372-L376 HydrophobicContact CG-CG 4.35Å; L372-L376 VanDerWaalsContact O-CG 3.27Å; L372-L376 WeakPolarHBondContact O-CG 3.21Å; L372-L376 PolarHBondContact O-N 3.43Å; L372-I385 HydrophobicContact CD2-CD1 4.14Å; L372-L398 HydrophobicContact CB-CD1 4.18Å; L372-L398 HydrophobicContact CD2-CD1 3.55Å; L372-L398 HydrophobicContact CG-CD1 4.47Å; L372-I402 HydrophobicContact CD2-CG1 4.01Å
373P96.1Very high96.4Very high26 Ų2647.4 Ų47.417%0.16927%0.27CS..Hα-helixtrans-60.8-35.1176.3-22.233.1000113.3E369 K377 A401E369-P373 VanDerWaalsContact O-CG 3.27Å; E369-P373 WeakPolarHBondContact O-CG 3.32Å; P373-K377 VanDerWaalsContact O-CG 3.29Å; P373-K377 WeakPolarHBondContact O-CG 3.45Å; P373-K377 PolarHBondContact O-N 2.88Å; P373-K377 VanDerWaalsContact O-N 3.1Å; P373-A401 HydrophobicContact CB-CB 4.25Å; P373-A401 HydrophobicContact CG-CB 3.67Å
374K96.8Very high96.4Very high83 Ų8346.8 Ų46.836%0.36127%0.268SS..Hα-helixtrans-61.8-52.7174.8173.8-173.3168.9-1680110.7E364 S370 L371 L372 L376 K377 E378E364-K374 IonicContact OE1-NZ 3.65Å; E364-K374 PolarHBondContact OE1-NZ 3.17Å; S370-K374 WeakPolarHBondContact O-CB 3.42Å; S370-K374 PolarHBondContact O-N 2.76Å; L371-K374 HydrophobicContact CD2-CD 4.39Å; L371-K374 WeakPolarHBondContact O-CB 3.41Å; L371-K374 PolarHBondContact O-N 2.82Å; L372-K374 VanDerWaalsContact C-N 3.26Å; L372-K374 PolarHBondContact O-N 2.81Å; K374-L376 VanDerWaalsContact C-N 3.33Å; K374-L376 PolarHBondContact O-N 2.95Å; K374-K377 PolarHBondContact O-N 3.3Å; K374-E378 WeakPolarHBondContact CE-OE1 3.48Å; K374-E378 WeakPolarHBondContact CG-OE1 3.37Å; K374-E378 WeakPolarHBondContact O-CG 3.14Å; K374-E378 PolarHBondContact O-N 3.08Å
375W97Very high96.3Very high0 Ų044.9 Ų44.90%026%0.259CS..Hα-helixtrans-61.5-40.7-180-61.2-24.3000112.3V316 R337 M339 E364 L371 L372 K377 E378 G379 F380V316-W375 HydrophobicContact CG1-CZ3 4.38Å; V316-W375 HydrophobicContact CG2-CE3 4.48Å; V316-W375 HydrophobicContact CG2-CZ3 4.44Å; R337-W375 HydrophobicContact CB-CE3 4.27Å; R337-W375 HydrophobicContact CB-CH2 3.89Å; R337-W375 HydrophobicContact CB-CZ3 3.67Å; M339-W375 HydrophobicContact CB-CH2 4.21Å; M339-W375 HydrophobicContact CE-CE3 3.77Å; M339-W375 HydrophobicContact CE-CH2 3.47Å; M339-W375 VanDerWaalsContact CE-CH2 3.47Å; M339-W375 HydrophobicContact CE-CZ2 4.35Å; M339-W375 HydrophobicContact CE-CZ3 3.12Å; M339-W375 HydrophobicContact SD-CH2 3.97Å; M339-W375 HydrophobicContact SD-CZ3 3.87Å; E364-W375 HydrophobicContact CB-CZ2 4.19Å; L371-W375 HydrophobicContact CB-CH2 4.37Å; L371-W375 HydrophobicContact CB-CZ2 4.03Å; L371-W375 HydrophobicContact CD1-CZ2 4.32Å; L371-W375 VanDerWaalsContact O-CG 3.22Å; L371-W375 PolarHBondContact O-N 3.41Å; L372-W375 PolarHBondContact O-N 3.45Å; W375-K377 VanDerWaalsContact C-N 3.34Å; W375-K377 PolarHBondContact O-N 3.01Å; W375-E378 CarbonylContact O-C 3.57Å; W375-E378 PolarHBondContact O-N 3.42Å; W375-E378 VanDerWaalsContact O-N 3.16Å; W375-G379 PolarHBondContact O-N 3.25Å; W375-F380 HydrophobicContact CB-CB 4.08Å; W375-F380 HydrophobicContact CB-CD1 4.03Å; W375-F380 HydrophobicContact CB-CG 4.44Å; W375-F380 VanDerWaalsContact O-CB 3.28Å; W375-F380 WeakPolarHBondContact O-CB 3.26Å; W375-F380 PolarHBondContact O-N 2.82Å
376L96.1Very high96.3Very high32 Ų3241.5 Ų41.517%0.16824%0.239CC..Hα-helixtrans-59.3-43.8175.4-69169.2000111.7L372 K374 E378 G379 F380 A401L372-L376 HydrophobicContact CD1-CD1 4.29Å; L372-L376 HydrophobicContact CD1-CG 4.19Å; L372-L376 HydrophobicContact CG-CD1 3.97Å; L372-L376 HydrophobicContact CG-CG 4.35Å; L372-L376 VanDerWaalsContact O-CG 3.27Å; L372-L376 WeakPolarHBondContact O-CG 3.21Å; L372-L376 PolarHBondContact O-N 3.43Å; K374-L376 VanDerWaalsContact C-N 3.33Å; K374-L376 PolarHBondContact O-N 2.95Å; L376-E378 VanDerWaalsContact C-N 3.31Å; L376-E378 PolarHBondContact O-N 3.03Å; L376-G379 PolarHBondContact O-N 2.91Å; L376-G379 VanDerWaalsContact O-N 3.09Å; L376-F380 WeakPolarHBondContact CD2-O 3.42Å; L376-A401 HydrophobicContact CD1-CB 4.28Å
377K94.5Very high96.4Very high183 Ų18340.5 Ų40.580%0.79623%0.229SC*.Hα-helixtrans-66.4-31.2175.7-73173.7-175.8179.70113.3P373 K374 W375 G379P373-K377 VanDerWaalsContact O-CG 3.29Å; P373-K377 WeakPolarHBondContact O-CG 3.45Å; P373-K377 PolarHBondContact O-N 2.88Å; P373-K377 VanDerWaalsContact O-N 3.1Å; K374-K377 PolarHBondContact O-N 3.3Å; W375-K377 VanDerWaalsContact C-N 3.34Å; W375-K377 PolarHBondContact O-N 3.01Å; K377-G379 PolarHBondContact O-N 2.94Å
378E95.7Very high96.3Very high119 Ų11939.9 Ų39.956%0.55622%0.223SC*.THydrogen-bonded Turntrans-75.10.9173.8-68.7168.8178.800112.7K374 W375 L376K374-E378 WeakPolarHBondContact CE-OE1 3.48Å; K374-E378 WeakPolarHBondContact CG-OE1 3.37Å; K374-E378 WeakPolarHBondContact O-CG 3.14Å; K374-E378 PolarHBondContact O-N 3.08Å; W375-E378 CarbonylContact O-C 3.57Å; W375-E378 PolarHBondContact O-N 3.42Å; W375-E378 VanDerWaalsContact O-N 3.16Å; L376-E378 VanDerWaalsContact C-N 3.31Å; L376-E378 PolarHBondContact O-N 3.03Å
379G94.5Very high96.2Very high63 Ų6339.9 Ų39.965%0.64922%0.223SC*.THydrogen-bonded Turntrans89.76.117700000114.5W375 L376 K377 S381W375-G379 PolarHBondContact O-N 3.25Å; L376-G379 PolarHBondContact O-N 2.91Å; L376-G379 VanDerWaalsContact O-N 3.09Å; K377-G379 PolarHBondContact O-N 2.94Å; G379-S381 PolarHBondContact O-N 2.9Å
380F95.7Very high96Very high21 Ų2141.2 Ų41.29%0.09224%0.236CC..  trans-73.5117.1172.2-179.7-109.7000109.8T314 V316 R337 W375 L376 P382T314-F380 HydrophobicContact CG2-CE2 4.29Å; V316-F380 HydrophobicContact CG2-CE1 3.66Å; V316-F380 HydrophobicContact CG2-CZ 4.44Å; R337-F380 HydrophobicContact CG-CE1 4.41Å; R337-F380 HydrophobicContact CG-CZ 4.04Å; R337-F380 VanDerWaalsContact CZ-CD2 3.44Å; W375-F380 HydrophobicContact CB-CB 4.08Å; W375-F380 HydrophobicContact CB-CD1 4.03Å; W375-F380 HydrophobicContact CB-CG 4.44Å; W375-F380 VanDerWaalsContact O-CB 3.28Å; W375-F380 WeakPolarHBondContact O-CB 3.26Å; W375-F380 PolarHBondContact O-N 2.82Å; L376-F380 WeakPolarHBondContact CD2-O 3.42Å; F380-P382 HydrophobicContact CD1-CG 4.37Å; F380-P382 HydrophobicContact CE1-CB 3.79Å; F380-P382 HydrophobicContact CE1-CG 4.04Å; F380-P382 HydrophobicContact CZ-CB 4.19Å; F380-P382 WeakPolarHBondContact O-CD 3.27Å
381S94.8Very high95.6Very high91 Ų9144.5 Ų44.564%0.63624%0.237SC*.  trans-11398.6177.7179.40000109.3T314 G379T314-S381 PolarHBondContact OG1-O 2.81Å; G379-S381 PolarHBondContact O-N 2.9Å
382P96.4Very high95.4Very high1 Ų148.7 Ų48.71%0.00626%0.264CS..  trans-71.4134.8-179.323.6-26.6000111.9T314 V316 F380 A384 I385 S407T314-P382 WeakPolarHBondContact OG1-CA 3.48Å; V316-P382 HydrophobicContact CG2-CB 3.74Å; V316-P382 HydrophobicContact CG2-CG 3.87Å; F380-P382 HydrophobicContact CD1-CG 4.37Å; F380-P382 HydrophobicContact CE1-CB 3.79Å; F380-P382 HydrophobicContact CE1-CG 4.04Å; F380-P382 HydrophobicContact CZ-CB 4.19Å; F380-P382 WeakPolarHBondContact O-CD 3.27Å; P382-A384 VanDerWaalsContact C-N 3.3Å; P382-I385 HydrophobicContact CB-CG1 4.4Å; P382-I385 HydrophobicContact CG-CD1 4.26Å; P382-I385 HydrophobicContact CG-CG1 4.08Å; P382-S407 WeakPolarHBondContact CG-OG 3.4Å; P382-S407 VanDerWaalsContact O-CB 3.27Å; P382-S407 WeakPolarHBondContact O-CB 3.22Å; P382-S407 PolarHBondContact O-OG 2.86Å
383D96.7Very high95.2Very high57 Ų5748.9 Ų48.931%0.30527%0.265SS..SBendtrans-71.4-28.7173.4-64.9-55000111.8K313 T314 P408 Q409K313-D383 WeakPolarHBondContact CA-OD2 3.17Å; K313-D383 HydrophobicContact CB-CB 3.71Å; K313-D383 HydrophobicContact CD-CB 3.92Å; K313-D383 HydrophobicContact CG-CB 3.81Å; T314-D383 PolarHBondContact N-OD2 2.83Å; T314-D383 PolarHBondContact O-N 3.07Å; T314-D383 PolarHBondContact OG1-N 3.48Å; T314-D383 PolarHBondContact OG1-OD2 2.96Å; D383-P408 VanDerWaalsContact O-CD 3.31Å; D383-P408 WeakPolarHBondContact O-CD 3.36Å; D383-Q409 PolarHBondContact O-N 3.15Å
384A97.1Very high95.2Very high0 Ų048 Ų480%026%0.259CS..EExtended strand (participates in β ladder)trans-144.3148.4175.500000113.1L307 T314 V315 V316 P382 Q409L307-A384 HydrophobicContact CD2-CB 3.83Å; T314-A384 PolarHBondContact O-N 2.8Å; T314-A384 VanDerWaalsContact O-N 3.08Å; V315-A384 CarbonylContact C-O 3.56Å; V315-A384 WeakPolarHBondContact CA-O 3.49Å; V315-A384 HydrophobicContact CG2-CB 4.42Å; V316-A384 PolarHBondContact N-O 3.02Å; P382-A384 VanDerWaalsContact C-N 3.3Å; A384-Q409 VanDerWaalsContact CA-O 3.28Å; A384-Q409 WeakPolarHBondContact CA-O 3.49Å; A384-Q409 HydrophobicContact CB-CB 4.14Å
385I97.4Very high95.1Very high1 Ų146.8 Ų46.81%0.00526%0.257CS..EExtended strand (participates in β ladder)trans-124.9130.4173.1-61.7169.2000108.8V316 L372 P382 V387 I402 S407 Q409 M410 V411V316-I385 HydrophobicContact CB-CG1 4.14Å; V316-I385 HydrophobicContact CB-CG2 4.44Å; V316-I385 HydrophobicContact CG1-CG2 4.44Å; L372-I385 HydrophobicContact CD2-CD1 4.14Å; P382-I385 HydrophobicContact CB-CG1 4.4Å; P382-I385 HydrophobicContact CG-CD1 4.26Å; P382-I385 HydrophobicContact CG-CG1 4.08Å; I385-V387 HydrophobicContact CG2-CG1 3.87Å; I385-I402 HydrophobicContact CD1-CG1 4.39Å; I385-S407 VanDerWaalsContact CD1-OG 3.28Å; I385-S407 WeakPolarHBondContact CD1-OG 3.16Å; I385-S407 WeakPolarHBondContact CG1-OG 3.39Å; I385-Q409 PolarHBondContact N-O 3.29Å; I385-M410 HydrophobicContact CB-CG 4.4Å; I385-M410 CarbonylContact O-C 3.52Å; I385-M410 VanDerWaalsContact O-CA 3.25Å; I385-M410 WeakPolarHBondContact O-CA 3.33Å; I385-V411 PolarHBondContact O-N 3.29Å
386V97.8Very high95Very high0 Ų052.9 Ų52.90%029%0.289CS..EExtended strand (participates in β ladder)trans-111.1137.8163.763.40000109.9L307 V316 D317 A318 I325 V411L307-V386 HydrophobicContact CD1-CB 4.2Å; L307-V386 HydrophobicContact CD1-CG1 4.45Å; V316-V386 WeakPolarHBondContact O-CG1 3.5Å; V316-V386 PolarHBondContact O-N 3.09Å; D317-V386 HydrophobicContact CB-CG1 4.03Å; A318-V386 PolarHBondContact N-O 3.37Å; I325-V386 HydrophobicContact CD1-CG2 4.26Å; I325-V386 HydrophobicContact CG2-CG1 3.94Å; I325-V386 HydrophobicContact CG2-CG2 4.33Å; V386-V411 CarbonylContact C-O 3.57Å; V386-V411 VanDerWaalsContact CA-O 3.3Å; V386-V411 WeakPolarHBondContact CA-O 3.4Å; V386-V411 HydrophobicContact CB-CB 4.41Å; V386-V411 HydrophobicContact CG2-CB 4.12Å; V386-V411 HydrophobicContact CG2-CG1 4.1Å
387V97.4Very high94.9Very high0 Ų057.6 Ų57.60%031%0.31CS..EExtended strand (participates in β ladder)trans-130.9132.2178.8-67.30000110A318 Y319 I385 P389 L394 M410 V411 Y412 I413A318-V387 HydrophobicContact CB-CG1 3.76Å; Y319-V387 HydrophobicContact CD2-CB 4.38Å; Y319-V387 HydrophobicContact CE2-CB 4.47Å; I385-V387 HydrophobicContact CG2-CG1 3.87Å; V387-P389 VanDerWaalsContact C-CD 3.47Å; V387-L394 HydrophobicContact CB-CD2 3.95Å; V387-L394 HydrophobicContact CG1-CD2 4.1Å; V387-L394 HydrophobicContact CG2-CD2 3.89Å; V387-M410 HydrophobicContact CG1-CE 4.22Å; V387-M410 HydrophobicContact CG2-CE 3.6Å; V387-V411 PolarHBondContact N-O 2.94Å; V387-Y412 HydrophobicContact CG2-CD1 4.2Å; V387-Y412 HydrophobicContact CG2-CD2 3.9Å; V387-Y412 HydrophobicContact CG2-CG 3.72Å; V387-I413 PolarHBondContact O-N 3.37Å
388D95.5Very high95Very high33 Ų3348.9 Ų48.918%0.17627%0.273CS..  trans-124.368.8169.1-170.68.3000110.6A318 Y319 I413A318-D388 PolarHBondContact O-N 3.44Å; Y319-D388 VanDerWaalsContact CB-O 3.31Å; Y319-D388 WeakPolarHBondContact CB-O 3.48Å; D388-I413 HydrophobicContact CB-CB 4.02Å; D388-I413 HydrophobicContact CB-CD1 4.41Å
389P93.7Very high95Very high3 Ų343.9 Ų43.92%0.01925%0.249CC..  trans-68.9163.5-172.828.3-36.9000113.2Y319 V387 L394 Y412 I413Y319-P389 HydrophobicContact CD2-CB 4.16Å; Y319-P389 HydrophobicContact CE2-CB 3.8Å; V387-P389 VanDerWaalsContact C-CD 3.47Å; P389-L394 HydrophobicContact CB-CD2 4.04Å; P389-L394 HydrophobicContact CG-CD2 3.82Å; P389-L394 HydrophobicContact CG-CG 4.35Å; P389-Y412 HydrophobicContact CG-CD1 4.39Å; P389-Y412 HydrophobicContact CG-CE1 3.42Å; P389-Y412 VanDerWaalsContact CG-CE1 3.42Å; P389-Y412 WeakPolarHBondContact CG-OH 3.37Å; P389-I413 WeakPolarHBondContact CD-O 3.48Å
390P90.4Very high95.1Very high72 Ų7246.5 Ų46.547%0.46824%0.243SC..  trans-60.6170.4170.928.3-36.7000112.2T392 G393P390-T392 PolarHBondContact O-N 3.29Å; P390-G393 PolarHBondContact O-N 2.75Å
391R89.6Confident95.1Very high140 Ų14045.7 Ų45.753%0.52824%0.24SC..THydrogen-bonded Turntrans-53.3-18.8-177.6-173.9169.8175.4178.9-5.8115.7G393 N416 T419 R447R391-G393 VanDerWaalsContact C-N 3.29Å; R391-N416 HydrophobicContact CG-CB 4.11Å; R391-N416 PolarHBondContact O-ND2 3.12Å; R391-T419 WeakPolarHBondContact O-CG2 3.49Å; R391-T419 PolarHBondContact O-OG1 2.84Å; R391-R447 VanDerWaalsContact NH2-NH1 3.15Å
392T93.4Very high95.2Very high98 Ų9841.4 Ų41.460%0.60121%0.21SC*.THydrogen-bonded Turntrans-76.9-10.5176.245.70000113.9P390 T419 R422P390-T392 PolarHBondContact O-N 3.29Å; T392-T419 WeakPolarHBondContact O-CG2 3.36Å; T392-R422 PolarHBondContact O-NH1 3.5Å; T392-R422 PolarHBondContact O-NH2 3.07Å
393G93.9Very high95.1Very high3 Ų344.6 Ų44.63%0.03123%0.225CC..  trans84.9-167.7-17300000112.6P390 R391 Y412 D423P390-G393 PolarHBondContact O-N 2.75Å; R391-G393 VanDerWaalsContact C-N 3.29Å; G393-Y412 WeakPolarHBondContact CA-OH 3.43Å; G393-D423 WeakPolarHBondContact CA-OD2 3.5Å
394L95.7Very high95Very high7 Ų748 Ų484%0.03724%0.239CC..SBendtrans-66.3146178.4-62.5173.7000111.3Y319 V387 P389 L398 L399 M410 Y412 D423 L427Y319-L394 HydrophobicContact CE2-CD2 4.2Å; V387-L394 HydrophobicContact CB-CD2 3.95Å; V387-L394 HydrophobicContact CG1-CD2 4.1Å; V387-L394 HydrophobicContact CG2-CD2 3.89Å; P389-L394 HydrophobicContact CB-CD2 4.04Å; P389-L394 HydrophobicContact CG-CD2 3.82Å; P389-L394 HydrophobicContact CG-CG 4.35Å; L394-L398 HydrophobicContact CD2-CD2 3.73Å; L394-L399 HydrophobicContact CD1-CD1 4.31Å; L394-M410 HydrophobicContact CD1-CE 4.2Å; L394-Y412 HydrophobicContact CD1-CD2 3.95Å; L394-Y412 HydrophobicContact CD1-CE2 3.45Å; L394-Y412 VanDerWaalsContact CD1-CE2 3.45Å; L394-Y412 HydrophobicContact CD2-CE2 4.15Å; L394-Y412 HydrophobicContact CG-CD2 4.33Å; L394-Y412 HydrophobicContact CG-CE2 3.49Å; L394-Y412 VanDerWaalsContact CG-CE2 3.49Å; L394-Y412 PolarHBondContact N-OH 3.29Å; L394-D423 PolarHBondContact N-OD2 3.42Å; L394-L427 HydrophobicContact CD1-CD1 4.25Å
395D94.5Very high94.9Very high59 Ų5950.7 Ų50.732%0.31626%0.258SS..  trans-65.9148.3167.8-177.6-95.7000111E369 Q397 L398 L399E369-D395 HydrophobicContact CB-CB 4.08Å; E369-D395 WeakPolarHBondContact CB-OD1 3.21Å; E369-D395 HydrophobicContact CG-CB 4.29Å; D395-Q397 VanDerWaalsContact C-N 3.34Å; D395-Q397 PolarHBondContact O-N 2.89Å; D395-Q397 WeakPolarHBondContact OD1-CA 3.42Å; D395-Q397 VanDerWaalsContact OD1-CB 3.3Å; D395-Q397 WeakPolarHBondContact OD1-CB 3.38Å; D395-Q397 PolarHBondContact OD1-N 2.94Å; D395-L398 HydrophobicContact CB-CB 4.24Å; D395-L398 PolarHBondContact O-N 2.88Å; D395-L399 WeakPolarHBondContact O-CB 3.44Å; D395-L399 PolarHBondContact O-N 3.39Å
396N94.3Very high94.8Very high128 Ų12852.1 Ų52.168%0.68427%0.267SS*.Hα-helixtrans-64.5-36.2-178-72.1-34.7000113K400N396-K400 WeakPolarHBondContact O-CB 3.4Å; N396-K400 PolarHBondContact O-N 3.01Å
397Q94.7Very high94.7Very high131 Ų13152.3 Ų52.361%0.61227%0.268SS*.Hα-helixtrans-71.3-39.4177.1-66.8-176.814.200111E369 D395 K400 A401E369-Q397 HydrophobicContact CB-CB 3.95Å; D395-Q397 VanDerWaalsContact C-N 3.34Å; D395-Q397 PolarHBondContact O-N 2.89Å; D395-Q397 WeakPolarHBondContact OD1-CA 3.42Å; D395-Q397 VanDerWaalsContact OD1-CB 3.3Å; D395-Q397 WeakPolarHBondContact OD1-CB 3.38Å; D395-Q397 PolarHBondContact OD1-N 2.94Å; Q397-K400 PolarHBondContact O-N 3.38Å; Q397-A401 WeakPolarHBondContact O-CB 3.48Å; Q397-A401 PolarHBondContact O-N 3.31Å
398L96Very high94.7Very high0 Ų055.3 Ų55.30%029%0.288CS..Hα-helixtrans-60.6-49172.5176.361.1000111.1Y319 A368 E369 L372 L394 D395 K400 A401 I402Y319-L398 HydrophobicContact CE2-CD2 3.77Å; Y319-L398 WeakPolarHBondContact OH-CD2 3.36Å; A368-L398 HydrophobicContact CB-CD1 4.23Å; A368-L398 HydrophobicContact CB-CD2 3.83Å; E369-L398 HydrophobicContact CB-CB 3.98Å; L372-L398 HydrophobicContact CB-CD1 4.18Å; L372-L398 HydrophobicContact CD2-CD1 3.55Å; L372-L398 HydrophobicContact CG-CD1 4.47Å; L394-L398 HydrophobicContact CD2-CD2 3.73Å; D395-L398 HydrophobicContact CB-CB 4.24Å; D395-L398 PolarHBondContact O-N 2.88Å; L398-K400 VanDerWaalsContact C-N 3.29Å; L398-K400 PolarHBondContact O-N 3.02Å; L398-A401 PolarHBondContact O-N 3.36Å; L398-A401 VanDerWaalsContact O-N 3.17Å; L398-I402 HydrophobicContact CD1-CD1 4.05Å; L398-I402 HydrophobicContact CD1-CG1 4.37Å; L398-I402 HydrophobicContact CG-CD1 3.98Å; L398-I402 WeakPolarHBondContact O-CG1 3.43Å; L398-I402 PolarHBondContact O-N 3.02Å
399L95.9Very high94.7Very high13 Ų1354.6 Ų54.67%0.06828%0.284CS..Hα-helixtrans-58.3-43.4177.8-178.459.5000111.4L394 D395 I402 Q403 L427L394-L399 HydrophobicContact CD1-CD1 4.31Å; D395-L399 WeakPolarHBondContact O-CB 3.44Å; D395-L399 PolarHBondContact O-N 3.39Å; L399-I402 PolarHBondContact O-N 2.89Å; L399-Q403 WeakPolarHBondContact O-CG 3.34Å; L399-Q403 PolarHBondContact O-N 3.17Å; L399-L427 HydrophobicContact CD1-CD2 3.63Å; L399-L427 HydrophobicContact CD1-CG 3.84Å
400K95.8Very high94.9Very high118 Ų11854.4 Ų54.451%0.51328%0.283SS..Hα-helixtrans-60.5-44.9175.6179.6176.7171.7-179.90111.9N396 Q397 L398 I402 Q403 E404N396-K400 WeakPolarHBondContact O-CB 3.4Å; N396-K400 PolarHBondContact O-N 3.01Å; Q397-K400 PolarHBondContact O-N 3.38Å; L398-K400 VanDerWaalsContact C-N 3.29Å; L398-K400 PolarHBondContact O-N 3.02Å; K400-I402 VanDerWaalsContact C-N 3.35Å; K400-I402 PolarHBondContact O-N 3.15Å; K400-Q403 WeakPolarHBondContact O-CA 3.25Å; K400-Q403 WeakPolarHBondContact O-CB 3.24Å; K400-Q403 PolarHBondContact O-N 3.35Å; K400-Q403 VanDerWaalsContact O-N 3.09Å; K400-E404 WeakPolarHBondContact CE-OE1 3.49Å; K400-E404 HydrophobicContact CG-CG 4.4Å; K400-E404 IonicContact NZ-OE1 3.64Å; K400-E404 WeakPolarHBondContact O-CG 3.25Å; K400-E404 PolarHBondContact O-N 2.96Å
401A95.8Very high95.3Very high5 Ų551 Ų514%0.04126%0.26CS..Hα-helixtrans-63.8-39.9179.200000112.6P373 L376 Q397 L398 Q403 E404 S405P373-A401 HydrophobicContact CB-CB 4.25Å; P373-A401 HydrophobicContact CG-CB 3.67Å; L376-A401 HydrophobicContact CD1-CB 4.28Å; Q397-A401 WeakPolarHBondContact O-CB 3.48Å; Q397-A401 PolarHBondContact O-N 3.31Å; L398-A401 PolarHBondContact O-N 3.36Å; L398-A401 VanDerWaalsContact O-N 3.17Å; A401-Q403 VanDerWaalsContact C-N 3.27Å; A401-Q403 PolarHBondContact O-N 3.36Å; A401-E404 PolarHBondContact O-N 2.78Å; A401-S405 PolarHBondContact O-N 3.42Å
402I96.5Very high95.7Very high0 Ų044.3 Ų44.30%024%0.235CC..Hα-helixtrans-62.7-36.1172.9-66.4166.3000110.9L372 I385 L398 L399 K400 S405 P406 M410 L427 I430 Y431L372-I402 HydrophobicContact CD2-CG1 4.01Å; I385-I402 HydrophobicContact CD1-CG1 4.39Å; L398-I402 HydrophobicContact CD1-CD1 4.05Å; L398-I402 HydrophobicContact CD1-CG1 4.37Å; L398-I402 HydrophobicContact CG-CD1 3.98Å; L398-I402 WeakPolarHBondContact O-CG1 3.43Å; L398-I402 PolarHBondContact O-N 3.02Å; L399-I402 PolarHBondContact O-N 2.89Å; K400-I402 VanDerWaalsContact C-N 3.35Å; K400-I402 PolarHBondContact O-N 3.15Å; I402-S405 CarbonylContact O-C 3.53Å; I402-P406 VanDerWaalsContact O-CA 3.25Å; I402-P406 WeakPolarHBondContact O-CA 3.34Å; I402-P406 VanDerWaalsContact O-N 3.16Å; I402-M410 HydrophobicContact CD1-CE 3.77Å; I402-M410 HydrophobicContact CD1-SD 4.4Å; I402-M410 HydrophobicContact CG2-SD 3.94Å; I402-L427 HydrophobicContact CG2-CD2 3.99Å; I402-I430 HydrophobicContact CG2-CD1 4.42Å; I402-Y431 HydrophobicContact CG2-CE2 3.84Å
403Q95.5Very high95.9Very high68 Ų6839.7 Ų39.732%0.31821%0.207SC..Hα-helixtrans-71.7-35.9176.2-69.8-179.7-6000113.9L399 K400 A401 S426 I430L399-Q403 WeakPolarHBondContact O-CG 3.34Å; L399-Q403 PolarHBondContact O-N 3.17Å; K400-Q403 WeakPolarHBondContact O-CA 3.25Å; K400-Q403 WeakPolarHBondContact O-CB 3.24Å; K400-Q403 PolarHBondContact O-N 3.35Å; K400-Q403 VanDerWaalsContact O-N 3.09Å; A401-Q403 VanDerWaalsContact C-N 3.27Å; A401-Q403 PolarHBondContact O-N 3.36Å; Q403-S426 PolarHBondContact NE2-O 3.08Å; Q403-I430 HydrophobicContact CB-CD1 4.28Å; Q403-I430 HydrophobicContact CG-CD1 3.82Å
404E94.7Very high96.1Very high129 Ų12939.6 Ų39.660%0.60321%0.205SC*.Hα-helixtrans-75.7-26178.4-71.7176166.300112.5K400 A401K400-E404 WeakPolarHBondContact CE-OE1 3.49Å; K400-E404 HydrophobicContact CG-CG 4.4Å; K400-E404 IonicContact NZ-OE1 3.64Å; K400-E404 WeakPolarHBondContact O-CG 3.25Å; K400-E404 PolarHBondContact O-N 2.96Å; A401-E404 PolarHBondContact O-N 2.78Å
405S95.3Very high96Very high56 Ų5641.1 Ų41.139%0.39222%0.217SC..SBendtrans-143.171.7179.6-63.30000111.3A401 I402 S407A401-S405 PolarHBondContact O-N 3.42Å; I402-S405 CarbonylContact O-C 3.53Å; S405-S407 PolarHBondContact O-N 3.15Å
406P95.1Very high96.1Very high32 Ų3239.4 Ų39.421%0.20821%0.207CC..  trans-68.8121.8-177.525.7-33.4000111.7I402 I430 Y431 R456I402-P406 VanDerWaalsContact O-CA 3.25Å; I402-P406 WeakPolarHBondContact O-CA 3.34Å; I402-P406 VanDerWaalsContact O-N 3.16Å; P406-I430 HydrophobicContact CB-CD1 4.31Å; P406-Y431 WeakPolarHBondContact CA-OH 3.39Å; P406-Y431 HydrophobicContact CB-CE2 4.41Å; P406-R456 HydrophobicContact CB-CG 4.17Å; P406-R456 HydrophobicContact CG-CG 4.44Å; P406-R456 WeakPolarHBondContact O-CD 3.37Å; P406-R456 PolarHBondContact O-NH1 3.35Å
407S96.2Very high96.1Very high3 Ų333.7 Ų33.72%0.02118%0.177CC..  trans-61.1153168-70.60000111.1P382 I385 S405 Q409 Y431P382-S407 WeakPolarHBondContact CG-OG 3.4Å; P382-S407 VanDerWaalsContact O-CB 3.27Å; P382-S407 WeakPolarHBondContact O-CB 3.22Å; P382-S407 PolarHBondContact O-OG 2.86Å; I385-S407 VanDerWaalsContact CD1-OG 3.28Å; I385-S407 WeakPolarHBondContact CD1-OG 3.16Å; I385-S407 WeakPolarHBondContact CG1-OG 3.39Å; S405-S407 PolarHBondContact O-N 3.15Å; S407-Q409 PolarHBondContact O-N 2.79Å; S407-Y431 PolarHBondContact N-OH 2.95Å; S407-Y431 VanDerWaalsContact O-CE1 3.22Å; S407-Y431 WeakPolarHBondContact O-CE1 3.28Å; S407-Y431 PolarHBondContact O-OH 3.28Å
408P96.1Very high96.2Very high64 Ų6428.6 Ų28.642%0.41616%0.156SC..SBendtrans-52.4-33.6171.7-28.333.9000114D383 R456D383-P408 VanDerWaalsContact O-CD 3.31Å; D383-P408 WeakPolarHBondContact O-CD 3.36Å; P408-R456 PolarHBondContact O-N 3.18Å
409Q96.4Very high96.2Very high17 Ų1729.4 Ų29.48%0.07916%0.161CC..EExtended strand (participates in β ladder)trans-137.9143.4-176.5-171.6169.210.600111.8A306 L307 D383 A384 I385 S407A306-Q409 PolarHBondContact O-NE2 3.08Å; L307-Q409 VanDerWaalsContact CA-NE2 3.29Å; L307-Q409 PolarHBondContact O-NE2 2.92Å; L307-Q409 PolarHBondContact O-OE1 3.22Å; D383-Q409 PolarHBondContact O-N 3.15Å; A384-Q409 VanDerWaalsContact CA-O 3.28Å; A384-Q409 WeakPolarHBondContact CA-O 3.49Å; A384-Q409 HydrophobicContact CB-CB 4.14Å; I385-Q409 PolarHBondContact N-O 3.29Å; S407-Q409 PolarHBondContact O-N 2.79Å
410M97.5Very high96.3Very high0 Ų028.8 Ų28.80%016%0.157CC..EExtended strand (participates in β ladder)trans-139.6138.5174.6-173.1-177.917500110.8I385 V387 L394 I402 Y412 L427 Y431 M454I385-M410 HydrophobicContact CB-CG 4.4Å; I385-M410 CarbonylContact O-C 3.52Å; I385-M410 VanDerWaalsContact O-CA 3.25Å; I385-M410 WeakPolarHBondContact O-CA 3.33Å; V387-M410 HydrophobicContact CG1-CE 4.22Å; V387-M410 HydrophobicContact CG2-CE 3.6Å; L394-M410 HydrophobicContact CD1-CE 4.2Å; I402-M410 HydrophobicContact CD1-CE 3.77Å; I402-M410 HydrophobicContact CD1-SD 4.4Å; I402-M410 HydrophobicContact CG2-SD 3.94Å; M410-Y412 HydrophobicContact CE-CD2 4.4Å; M410-L427 HydrophobicContact CE-CD1 4.27Å; M410-L427 HydrophobicContact CE-CD2 4.39Å; M410-L427 HydrophobicContact SD-CD1 4.48Å; M410-L427 HydrophobicContact SD-CD2 4.01Å; M410-Y431 HydrophobicContact CB-CE1 3.98Å; M410-Y431 HydrophobicContact CB-CE2 4.41Å; M410-Y431 HydrophobicContact SD-CE2 3.96Å; M410-M454 HydrophobicContact CB-CB 4.25Å; M410-M454 HydrophobicContact CB-CE 3.96Å; M410-M454 HydrophobicContact CE-CE 4.16Å; M410-M454 HydrophobicContact CG-CE 3.62Å; M410-M454 PolarHBondContact N-O 3.45Å; M410-M454 WeakPolarHBondContact O-CA 3.12Å; M410-M454 WeakPolarHBondContact O-CB 3.29Å; M410-M454 PolarHBondContact O-N 3.16Å; M410-M454 HydrophobicContact SD-CE 3.69Å
411V98.3Very high96.4Very high0 Ų023.1 Ų23.10%013%0.133CC..EExtended strand (participates in β ladder)trans-120.5130171.2174.40000109.5A303 A306 L307 I385 V386 V387 V451 V452A303-V411 HydrophobicContact CB-CG1 4.05Å; A306-V411 HydrophobicContact CB-CG1 4.13Å; A306-V411 HydrophobicContact CB-CG2 3.61Å; L307-V411 HydrophobicContact CD2-CB 4.13Å; L307-V411 HydrophobicContact CD2-CG2 3.67Å; L307-V411 HydrophobicContact CG-CB 4.21Å; L307-V411 HydrophobicContact CG-CG2 3.69Å; I385-V411 PolarHBondContact O-N 3.29Å; V386-V411 CarbonylContact C-O 3.57Å; V386-V411 VanDerWaalsContact CA-O 3.3Å; V386-V411 WeakPolarHBondContact CA-O 3.4Å; V386-V411 HydrophobicContact CB-CB 4.41Å; V386-V411 HydrophobicContact CG2-CB 4.12Å; V386-V411 HydrophobicContact CG2-CG1 4.1Å; V387-V411 PolarHBondContact N-O 2.94Å; V411-V451 HydrophobicContact CG1-CG1 3.72Å; V411-V452 VanDerWaalsContact CA-O 3.3Å; V411-V452 WeakPolarHBondContact CA-O 3.39Å
412Y98.3Very high96.5Very high0 Ų027.5 Ų27.50%015%0.148CC..EExtended strand (participates in β ladder)trans-118.2119.9179.1-168.5-40.9000109.1V387 P389 G393 L394 M410 L420 D423 L427 V451 V452V387-Y412 HydrophobicContact CG2-CD1 4.2Å; V387-Y412 HydrophobicContact CG2-CD2 3.9Å; V387-Y412 HydrophobicContact CG2-CG 3.72Å; P389-Y412 HydrophobicContact CG-CD1 4.39Å; P389-Y412 HydrophobicContact CG-CE1 3.42Å; P389-Y412 VanDerWaalsContact CG-CE1 3.42Å; P389-Y412 WeakPolarHBondContact CG-OH 3.37Å; G393-Y412 WeakPolarHBondContact CA-OH 3.43Å; L394-Y412 HydrophobicContact CD1-CD2 3.95Å; L394-Y412 HydrophobicContact CD1-CE2 3.45Å; L394-Y412 VanDerWaalsContact CD1-CE2 3.45Å; L394-Y412 HydrophobicContact CD2-CE2 4.15Å; L394-Y412 HydrophobicContact CG-CD2 4.33Å; L394-Y412 HydrophobicContact CG-CE2 3.49Å; L394-Y412 VanDerWaalsContact CG-CE2 3.49Å; L394-Y412 PolarHBondContact N-OH 3.29Å; M410-Y412 HydrophobicContact CE-CD2 4.4Å; Y412-L420 HydrophobicContact CD1-CD1 3.9Å; Y412-L420 HydrophobicContact CD2-CD1 4.18Å; Y412-L420 HydrophobicContact CE1-CD1 4.06Å; Y412-L420 HydrophobicContact CE2-CD1 4.24Å; Y412-L420 HydrophobicContact CG-CD1 4.01Å; Y412-D423 HydrophobicContact CE2-CB 4Å; Y412-D423 PolarHBondContact OH-OD2 2.87Å; Y412-L427 HydrophobicContact CD2-CD1 3.99Å; Y412-L427 HydrophobicContact CE2-CD1 4.36Å; Y412-V451 CarbonylContact O-C 3.6Å; Y412-V451 WeakPolarHBondContact O-CA 3.34Å; Y412-V452 PolarHBondContact N-O 3.09Å; Y412-V452 PolarHBondContact O-N 3.31Å
413I98Very high96.6Very high0 Ų027.7 Ų27.70%015%0.149CC..EExtended strand (participates in β ladder)trans-97.1129.2168.3-52.4-179.5000109.3L299 Y300 A303 I325 V387 D388 P389 V450 V451L299-I413 HydrophobicContact CD1-CG2 4.15Å; L299-I413 HydrophobicContact CD2-CG2 3.9Å; L299-I413 HydrophobicContact CG-CG2 4.18Å; Y300-I413 HydrophobicContact CD1-CD1 4.29Å; A303-I413 HydrophobicContact CB-CD1 3.61Å; A303-I413 HydrophobicContact CB-CG1 4.07Å; I325-I413 HydrophobicContact CD1-CD1 3.46Å; I325-I413 VanDerWaalsContact CD1-CD1 3.46Å; V387-I413 PolarHBondContact O-N 3.37Å; D388-I413 HydrophobicContact CB-CB 4.02Å; D388-I413 HydrophobicContact CB-CD1 4.41Å; P389-I413 WeakPolarHBondContact CD-O 3.48Å; I413-V450 CarbonylContact C-O 3.59Å; I413-V450 WeakPolarHBondContact CA-O 3.33Å; I413-V451 HydrophobicContact CG1-CG2 4.37Å
414S97.2Very high96.7Very high1 Ų124.5 Ų24.51%0.00713%0.134CC..EExtended strand (participates in β ladder)trans-138.7130.8-178.4-165.70000113.1N416 E449 V450S414-N416 VanDerWaalsContact C-N 3.29Å; S414-N416 PolarHBondContact O-N 3.49Å; S414-N416 PolarHBondContact OG-N 2.88Å; S414-N416 PolarHBondContact OG-O 3.4Å; S414-E449 CarbonylContact O-C 3.57Å; S414-E449 VanDerWaalsContact O-CA 3.25Å; S414-E449 WeakPolarHBondContact O-CA 3.45Å; S414-V450 PolarHBondContact N-O 3.3Å; S414-V450 PolarHBondContact O-N 2.97Å
415C94.9Very high96.8Very high40 Ų4020.6 Ų20.627%0.2712%0.119SC..SBendtrans-83.92.9170670000114.6E449C415-E449 HydrophobicContact CB-CG 4.05Å
416N94.8Very high96.9Very high23 Ų2319.4 Ų19.412%0.12311%0.111CC..  trans-144.7103.5-176.1-179.1-6000112.5R391 S414 S418 T419 L420R391-N416 HydrophobicContact CG-CB 4.11Å; R391-N416 PolarHBondContact O-ND2 3.12Å; S414-N416 VanDerWaalsContact C-N 3.29Å; S414-N416 PolarHBondContact O-N 3.49Å; S414-N416 PolarHBondContact OG-N 2.88Å; S414-N416 PolarHBondContact OG-O 3.4Å; N416-S418 PolarHBondContact O-N 2.94Å; N416-S418 VanDerWaalsContact O-N 3.08Å; N416-S418 WeakPolarHBondContact OD1-CB 3.49Å; N416-S418 PolarHBondContact OD1-N 2.84Å; N416-T419 VanDerWaalsContact CB-OG1 3.3Å; N416-T419 WeakPolarHBondContact CB-OG1 3.13Å; N416-T419 VanDerWaalsContact CG-OG1 3.3Å; N416-T419 PolarHBondContact ND2-OG1 3.32Å; N416-T419 PolarHBondContact O-N 3Å; N416-T419 PolarHBondContact O-OG1 3Å; N416-T419 VanDerWaalsContact O-OG1 3.1Å; N416-L420 WeakPolarHBondContact O-CB 3.33Å; N416-L420 PolarHBondContact O-N 2.98Å
417V96Very high97.1Very high8 Ų817.9 Ų17.95%0.04810%0.101CC..Hα-helixtrans-54.8-29.7179.2-63.70000114.3I20 L101 L102 A105 A421 V450I20-V417 HydrophobicContact CD1-CG2 4.4Å; L101-V417 HydrophobicContact CB-CG2 4.36Å; L102-V417 HydrophobicContact CB-CG1 4.19Å; L102-V417 HydrophobicContact CD1-CB 4.36Å; L102-V417 HydrophobicContact CD1-CG1 4.14Å; A105-V417 HydrophobicContact CB-CB 4.02Å; A105-V417 HydrophobicContact CB-CG2 4.09Å; A105-V417 VanDerWaalsContact CB-O 3.32Å; A105-V417 WeakPolarHBondContact CB-O 3.2Å; V417-A421 VanDerWaalsContact O-CB 3.23Å; V417-A421 WeakPolarHBondContact O-CB 3.48Å; V417-A421 PolarHBondContact O-N 2.96Å; V417-V450 HydrophobicContact CG1-CG2 3.96Å
418S95.8Very high97.1Very high24 Ų2417.8 Ų17.817%0.16810%0.1CC..Hα-helixtrans-75.9-43.5-179.3-67.40000112.6Y109 N416 R422Y109-S418 VanDerWaalsContact CE2-O 3.28Å; Y109-S418 WeakPolarHBondContact CE2-O 3.32Å; N416-S418 PolarHBondContact O-N 2.94Å; N416-S418 VanDerWaalsContact O-N 3.08Å; N416-S418 WeakPolarHBondContact OD1-CB 3.49Å; N416-S418 PolarHBondContact OD1-N 2.84Å; S418-R422 PolarHBondContact O-N 2.85Å; S418-R422 VanDerWaalsContact O-N 3.1Å
419T96.6Very high97.2Very high16 Ų1620.6 Ų20.610%0.09811%0.106CC..Hα-helixtrans-73.5-36176.648.20000110.7R391 T392 N416 R422 D423R391-T419 WeakPolarHBondContact O-CG2 3.49Å; R391-T419 PolarHBondContact O-OG1 2.84Å; T392-T419 WeakPolarHBondContact O-CG2 3.36Å; N416-T419 VanDerWaalsContact CB-OG1 3.3Å; N416-T419 WeakPolarHBondContact CB-OG1 3.13Å; N416-T419 VanDerWaalsContact CG-OG1 3.3Å; N416-T419 PolarHBondContact ND2-OG1 3.32Å; N416-T419 PolarHBondContact O-N 3Å; N416-T419 PolarHBondContact O-OG1 3Å; N416-T419 VanDerWaalsContact O-OG1 3.1Å; T419-R422 WeakPolarHBondContact O-CB 3.3Å; T419-R422 PolarHBondContact O-N 3.28Å; T419-D423 PolarHBondContact O-N 2.71Å
420L97.9Very high97.2Very high0 Ų021.5 Ų21.50%011%0.111CC..Hα-helixtrans-54.6-56.3168.8176.561.5000111.2L102 Y412 N416 R422 D423 L424 L436 V450 V452L102-L420 HydrophobicContact CD1-CD2 4.12Å; Y412-L420 HydrophobicContact CD1-CD1 3.9Å; Y412-L420 HydrophobicContact CD2-CD1 4.18Å; Y412-L420 HydrophobicContact CE1-CD1 4.06Å; Y412-L420 HydrophobicContact CE2-CD1 4.24Å; Y412-L420 HydrophobicContact CG-CD1 4.01Å; N416-L420 WeakPolarHBondContact O-CB 3.33Å; N416-L420 PolarHBondContact O-N 2.98Å; L420-R422 PolarHBondContact O-N 3.18Å; L420-D423 PolarHBondContact O-N 2.91Å; L420-L424 HydrophobicContact CD1-CD1 4.32Å; L420-L424 HydrophobicContact CD1-CD2 4.39Å; L420-L424 HydrophobicContact CD1-CG 4.13Å; L420-L424 HydrophobicContact CG-CD1 4.21Å; L420-L424 HydrophobicContact CG-CG 4.4Å; L420-L424 WeakPolarHBondContact O-CG 3.37Å; L420-L424 PolarHBondContact O-N 3.02Å; L420-L436 HydrophobicContact CD2-CD2 4.38Å; L420-V450 HydrophobicContact CD2-CB 3.8Å; L420-V450 HydrophobicContact CD2-CG1 3.74Å; L420-V450 HydrophobicContact CD2-CG2 4.34Å; L420-V452 HydrophobicContact CD1-CG2 3.85Å; L420-V452 HydrophobicContact CD2-CG2 3.84Å; L420-V452 HydrophobicContact CG-CG2 4.36Å
421A98Very high97.2Very high0 Ų021.5 Ų21.50%011%0.111CC..Hα-helixtrans-60.7-32.4-178.700000112.8A105 L106 Y109 P111 V417A105-A421 HydrophobicContact CB-CB 3.82Å; L106-A421 HydrophobicContact CD2-CB 4.21Å; Y109-A421 HydrophobicContact CD2-CB 3.69Å; Y109-A421 HydrophobicContact CG-CB 4.21Å; P111-A421 WeakPolarHBondContact CG-O 3.42Å; V417-A421 VanDerWaalsContact O-CB 3.23Å; V417-A421 WeakPolarHBondContact O-CB 3.48Å; V417-A421 PolarHBondContact O-N 2.96Å
422R97.4Very high97.2Very high97 Ų9726 Ų2637%0.36613%0.132SC..Hα-helixtrans-64.6-49171.6-179.3-160.565.4-160.7-5.7111.4Y109 T392 S418 T419 L420 L424 V425Y109-R422 HydrophobicContact CD1-CB 3.87Å; Y109-R422 HydrophobicContact CD1-CG 4.33Å; Y109-R422 HydrophobicContact CE1-CB 3.74Å; Y109-R422 HydrophobicContact CE1-CG 4.12Å; Y109-R422 HydrophobicContact CG-CB 4.43Å; T392-R422 PolarHBondContact O-NH1 3.5Å; T392-R422 PolarHBondContact O-NH2 3.07Å; S418-R422 PolarHBondContact O-N 2.85Å; S418-R422 VanDerWaalsContact O-N 3.1Å; T419-R422 WeakPolarHBondContact O-CB 3.3Å; T419-R422 PolarHBondContact O-N 3.28Å; L420-R422 PolarHBondContact O-N 3.18Å; R422-L424 VanDerWaalsContact C-N 3.29Å; R422-L424 PolarHBondContact O-N 3.28Å; R422-V425 VanDerWaalsContact O-CB 3.27Å; R422-V425 WeakPolarHBondContact O-CB 3.4Å; R422-V425 WeakPolarHBondContact O-CG2 3.23Å; R422-V425 PolarHBondContact O-N 3.31Å; R422-V425 VanDerWaalsContact O-N 3.13Å
423D97.9Very high97.2Very high4 Ų426.7 Ų26.72%0.02114%0.135CC..Hα-helixtrans-66.1-35.5-177.2-62.7-6.5000111.1G393 L394 Y412 T419 L420 V425 S426 L427G393-D423 WeakPolarHBondContact CA-OD2 3.5Å; L394-D423 PolarHBondContact N-OD2 3.42Å; Y412-D423 HydrophobicContact CE2-CB 4Å; Y412-D423 PolarHBondContact OH-OD2 2.87Å; T419-D423 PolarHBondContact O-N 2.71Å; L420-D423 PolarHBondContact O-N 2.91Å; D423-V425 PolarHBondContact O-N 3.26Å; D423-S426 PolarHBondContact O-N 2.84Å; D423-L427 PolarHBondContact O-N 2.96Å; D423-L427 VanDerWaalsContact O-N 3.13Å
424L98.2Very high97.1Very high0 Ų029.1 Ų29.10%015%0.149CC..Hα-helixtrans-60.5-23.3173.8-67.6-177.4000113.5L106 P111 F117 L420 R422 S426 L427 A428 I433 L436 V452 M454L106-L424 HydrophobicContact CD2-CD1 3.92Å; P111-L424 HydrophobicContact CB-CB 4.05Å; P111-L424 HydrophobicContact CG-CB 3.73Å; F117-L424 HydrophobicContact CE2-CD1 4.45Å; L420-L424 HydrophobicContact CD1-CD1 4.32Å; L420-L424 HydrophobicContact CD1-CD2 4.39Å; L420-L424 HydrophobicContact CD1-CG 4.13Å; L420-L424 HydrophobicContact CG-CD1 4.21Å; L420-L424 HydrophobicContact CG-CG 4.4Å; L420-L424 WeakPolarHBondContact O-CG 3.37Å; L420-L424 PolarHBondContact O-N 3.02Å; R422-L424 VanDerWaalsContact C-N 3.29Å; R422-L424 PolarHBondContact O-N 3.28Å; L424-S426 PolarHBondContact O-N 3.17Å; L424-L427 HydrophobicContact CD2-CB 4.47Å; L424-L427 HydrophobicContact CD2-CD1 4.3Å; L424-L427 PolarHBondContact O-N 3.07Å; L424-A428 WeakPolarHBondContact O-CB 3.36Å; L424-A428 PolarHBondContact O-N 3.35Å; L424-I433 HydrophobicContact CD2-CD1 3.97Å; L424-L436 HydrophobicContact CD1-CD2 4.01Å; L424-V452 HydrophobicContact CD2-CG1 4.37Å; L424-M454 HydrophobicContact CD2-SD 4.07Å
425V97.9Very high97.2Very high48 Ų4829.7 Ų29.729%0.29115%0.15SC..Hα-helixtrans-59.2-35.4173.7176.90000111.5P111 R422 D423 K429P111-V425 HydrophobicContact CG-CG2 4.13Å; R422-V425 VanDerWaalsContact O-CB 3.27Å; R422-V425 WeakPolarHBondContact O-CB 3.4Å; R422-V425 WeakPolarHBondContact O-CG2 3.23Å; R422-V425 PolarHBondContact O-N 3.31Å; R422-V425 VanDerWaalsContact O-N 3.13Å; D423-V425 PolarHBondContact O-N 3.26Å; V425-K429 WeakPolarHBondContact O-CE 3.39Å
426S97.1Very high97.4Very high30 Ų3027.8 Ų27.821%0.2114%0.138CC..Hα-helixtrans-86.7-41.9177.7-70.50000112Q403 D423 L424 K429Q403-S426 PolarHBondContact NE2-O 3.08Å; D423-S426 PolarHBondContact O-N 2.84Å; L424-S426 PolarHBondContact O-N 3.17Å; S426-K429 WeakPolarHBondContact O-CB 3.37Å; S426-K429 PolarHBondContact O-N 2.9Å
427L97.8Very high97.5Very high0 Ų027.3 Ų27.30%014%0.135CC..Hα-helixtrans-70.6-37.9-176.5-65.1170.1000112.6L394 L399 I402 M410 Y412 D423 L424 K429 I430 Y431 M454L394-L427 HydrophobicContact CD1-CD1 4.25Å; L399-L427 HydrophobicContact CD1-CD2 3.63Å; L399-L427 HydrophobicContact CD1-CG 3.84Å; I402-L427 HydrophobicContact CG2-CD2 3.99Å; M410-L427 HydrophobicContact CE-CD1 4.27Å; M410-L427 HydrophobicContact CE-CD2 4.39Å; M410-L427 HydrophobicContact SD-CD1 4.48Å; M410-L427 HydrophobicContact SD-CD2 4.01Å; Y412-L427 HydrophobicContact CD2-CD1 3.99Å; Y412-L427 HydrophobicContact CE2-CD1 4.36Å; D423-L427 PolarHBondContact O-N 2.96Å; D423-L427 VanDerWaalsContact O-N 3.13Å; L424-L427 HydrophobicContact CD2-CB 4.47Å; L424-L427 HydrophobicContact CD2-CD1 4.3Å; L424-L427 PolarHBondContact O-N 3.07Å; L427-K429 PolarHBondContact O-N 3.42Å; L427-I430 WeakPolarHBondContact O-CG1 3.37Å; L427-I430 PolarHBondContact O-N 3.09Å; L427-Y431 HydrophobicContact CB-CD2 4.41Å; L427-Y431 HydrophobicContact CD2-CD2 4.22Å; L427-Y431 HydrophobicContact CD2-CE2 4.25Å; L427-Y431 PolarHBondContact O-N 3.01Å; L427-M454 HydrophobicContact CB-SD 4.23Å; L427-M454 HydrophobicContact CD1-CE 4.3Å; L427-M454 HydrophobicContact CD1-SD 4.17Å
428A97.8Very high97.6Very high1 Ų127 Ų271%0.00813%0.133CC..THydrogen-bonded Turntrans-64.7-10.6179.600000113.9P111 E112 F117 L424 Y431 I433 K457P111-A428 HydrophobicContact CB-CB 4.17Å; E112-A428 HydrophobicContact CB-CB 4.27Å; F117-A428 HydrophobicContact CZ-CB 4.22Å; L424-A428 WeakPolarHBondContact O-CB 3.36Å; L424-A428 PolarHBondContact O-N 3.35Å; A428-Y431 CarbonylContact C-O 3.49Å; A428-I433 HydrophobicContact CB-CD1 4.34Å; A428-I433 HydrophobicContact CB-CG1 4.12Å; A428-K457 WeakPolarHBondContact O-CE 3.28Å; A428-K457 PolarHBondContact O-NZ 3.32Å
429K97Very high97.7Very high123 Ų12325.8 Ų25.854%0.53513%0.125SC..THydrogen-bonded Turntrans-75.4-26.8173.2-63.5179.1-179.6178.10112.9V425 S426 L427V425-K429 WeakPolarHBondContact O-CE 3.39Å; S426-K429 WeakPolarHBondContact O-CB 3.37Å; S426-K429 PolarHBondContact O-N 2.9Å; L427-K429 PolarHBondContact O-N 3.42Å
430I97.2Very high97.8Very high36 Ų3625 Ų2519%0.18512%0.12CC..THydrogen-bonded Turntrans-120.9-17.7-17254.7166.8000112.9I402 Q403 P406 L427 K457I402-I430 HydrophobicContact CG2-CD1 4.42Å; Q403-I430 HydrophobicContact CB-CD1 4.28Å; Q403-I430 HydrophobicContact CG-CD1 3.82Å; P406-I430 HydrophobicContact CB-CD1 4.31Å; L427-I430 WeakPolarHBondContact O-CG1 3.37Å; L427-I430 PolarHBondContact O-N 3.09Å; I430-K457 PolarHBondContact O-N 3.46Å
431Y98Very high97.8Very high1 Ų125 Ų250%0.00412%0.12CC..EExtended strand (participates in β ladder)trans-119.6142.9176.3-68.9-77.7000110.8I402 P406 S407 M410 L427 A428 M454 S455 R456 K457I402-Y431 HydrophobicContact CG2-CE2 3.84Å; P406-Y431 WeakPolarHBondContact CA-OH 3.39Å; P406-Y431 HydrophobicContact CB-CE2 4.41Å; S407-Y431 PolarHBondContact N-OH 2.95Å; S407-Y431 VanDerWaalsContact O-CE1 3.22Å; S407-Y431 WeakPolarHBondContact O-CE1 3.28Å; S407-Y431 PolarHBondContact O-OH 3.28Å; M410-Y431 HydrophobicContact CB-CE1 3.98Å; M410-Y431 HydrophobicContact CB-CE2 4.41Å; M410-Y431 HydrophobicContact SD-CE2 3.96Å; L427-Y431 HydrophobicContact CB-CD2 4.41Å; L427-Y431 HydrophobicContact CD2-CD2 4.22Å; L427-Y431 HydrophobicContact CD2-CE2 4.25Å; L427-Y431 PolarHBondContact O-N 3.01Å; A428-Y431 CarbonylContact C-O 3.49Å; Y431-M454 HydrophobicContact CD1-CB 4.07Å; Y431-M454 HydrophobicContact CG-CB 4.06Å; Y431-S455 CarbonylContact C-O 3.6Å; Y431-S455 VanDerWaalsContact CA-O 3.25Å; Y431-S455 WeakPolarHBondContact CA-O 3.28Å; Y431-S455 WeakPolarHBondContact CD1-O 3.35Å; Y431-R456 HydrophobicContact CD1-CB 4.34Å; Y431-R456 HydrophobicContact CE1-CB 4.23Å; Y431-K457 WeakPolarHBondContact O-CE 3.31Å
432H97.4Very high97.7Very high93 Ų9326.6 Ų26.643%0.43113%0.127SC..EExtended strand (participates in β ladder)trans-72.1132.2154.9-62.8-63.7000108.2D434 M454 S455H432-D434 PolarHBondContact O-N 3.04Å; H432-M454 VanDerWaalsContact O-CA 3.29Å; H432-M454 WeakPolarHBondContact O-CA 3.28Å; H432-S455 PolarHBondContact N-O 3.45Å; H432-S455 PolarHBondContact O-N 3.31Å
433I98Very high97.8Very high15 Ų1522 Ų228%0.07711%0.109CC..EExtended strand (participates in β ladder)trans-92.799.6175.9-49.8-54.3000107.2F117 L424 A428 L436 V452 M454F117-I433 HydrophobicContact CD1-CB 3.76Å; F117-I433 HydrophobicContact CD1-CG1 4.28Å; F117-I433 HydrophobicContact CD1-CG2 4.25Å; F117-I433 HydrophobicContact CD2-CB 4.24Å; F117-I433 HydrophobicContact CD2-CG2 3.97Å; F117-I433 HydrophobicContact CE1-CB 3.63Å; F117-I433 HydrophobicContact CE1-CG1 3.64Å; F117-I433 HydrophobicContact CE1-CG2 4.41Å; F117-I433 HydrophobicContact CE2-CB 4.11Å; F117-I433 HydrophobicContact CE2-CG1 3.88Å; F117-I433 HydrophobicContact CE2-CG2 4.13Å; F117-I433 HydrophobicContact CG-CB 4.09Å; F117-I433 HydrophobicContact CG-CG2 4.05Å; F117-I433 HydrophobicContact CZ-CB 3.82Å; F117-I433 HydrophobicContact CZ-CG1 3.41Å; F117-I433 VanDerWaalsContact CZ-CG1 3.41Å; F117-I433 HydrophobicContact CZ-CG2 4.36Å; L424-I433 HydrophobicContact CD2-CD1 3.97Å; A428-I433 HydrophobicContact CB-CD1 4.34Å; A428-I433 HydrophobicContact CB-CG1 4.12Å; I433-L436 HydrophobicContact CG2-CD1 3.71Å; I433-L436 HydrophobicContact CG2-CG 4.41Å; I433-V452 HydrophobicContact CG2-CG1 3.75Å; I433-M454 HydrophobicContact CD1-CG 3.57Å; I433-M454 HydrophobicContact CD1-SD 3.6Å; I433-M454 VanDerWaalsContact CD1-SD 3.6Å
434D96.8Very high97.8Very high52 Ų5222 Ų2228%0.27811%0.109SC..EExtended strand (participates in β ladder)trans-68.6-55.1-171.3-58.7-20.7000110.1E118 H432 K453 S455E118-D434 WeakPolarHBondContact CB-O 3.5Å; H432-D434 PolarHBondContact O-N 3.04Å; D434-K453 HydrophobicContact CB-CB 4.22Å; D434-K453 HydrophobicContact CB-CD 4.3Å; D434-K453 HydrophobicContact CB-CG 4.18Å; D434-K453 PolarHBondContact N-O 2.93Å; D434-K453 WeakPolarHBondContact OD2-CE 3.08Å; D434-K453 WeakPolarHBondContact OD2-CG 3.48Å; D434-S455 PolarHBondContact OD1-OG 2.8Å
435Y98.3Very high97.7Very high12 Ų1222.2 Ų22.25%0.04711%0.111CC..EExtended strand (participates in β ladder)trans-156.2161.8176.368.9-100.5000112.6E118 R120 E302 A306 Q437 V452 K453E118-Y435 CarbonylContact O-C 3.56Å; E118-Y435 WeakPolarHBondContact O-CA 3.27Å; R120-Y435 VanDerWaalsContact CZ-CD1 3.44Å; R120-Y435 VanDerWaalsContact CZ-CG 3.44Å; R120-Y435 VanDerWaalsContact NH1-CE2 3.35Å; E302-Y435 WeakPolarHBondContact OE1-CE2 3.29Å; E302-Y435 VanDerWaalsContact OE1-CZ 3.24Å; E302-Y435 PolarHBondContact OE1-OH 3.46Å; A306-Y435 WeakPolarHBondContact CA-OH 3.48Å; A306-Y435 VanDerWaalsContact CB-OH 3.31Å; A306-Y435 WeakPolarHBondContact CB-OH 3.34Å; Y435-Q437 HydrophobicContact CD2-CB 4.08Å; Y435-Q437 HydrophobicContact CE2-CB 3.91Å; Y435-V452 WeakPolarHBondContact O-CA 3.37Å; Y435-K453 HydrophobicContact CD1-CB 3.73Å; Y435-K453 HydrophobicContact CD1-CD 3.98Å; Y435-K453 HydrophobicContact CD1-CG 4.44Å; Y435-K453 HydrophobicContact CD2-CB 4.46Å; Y435-K453 HydrophobicContact CE1-CB 3.43Å; Y435-K453 VanDerWaalsContact CE1-CB 3.43Å; Y435-K453 HydrophobicContact CE1-CD 3.35Å; Y435-K453 HydrophobicContact CE1-CG 3.99Å; Y435-K453 HydrophobicContact CE2-CB 4.18Å; Y435-K453 HydrophobicContact CG-CB 4.26Å; Y435-K453 PolarHBondContact O-N 2.89Å
436L98.6Very high97.6Very high0 Ų020.1 Ų20.10%010%0.098CC..EExtended strand (participates in β ladder)trans-123.2120.5169.1-58.288000109.8L102 L106 F117 E118 L119 R120 L420 L424 I433 V450 V451 V452L102-L436 HydrophobicContact CD1-CD2 3.83Å; L102-L436 HydrophobicContact CD2-CB 3.69Å; L102-L436 HydrophobicContact CD2-CD2 3.93Å; L102-L436 HydrophobicContact CD2-CG 4.45Å; L102-L436 HydrophobicContact CG-CD2 4.23Å; L106-L436 HydrophobicContact CD1-CD2 4.35Å; F117-L436 HydrophobicContact CB-CD1 3.71Å; F117-L436 HydrophobicContact CD2-CD1 3.9Å; F117-L436 HydrophobicContact CG-CD1 4.14Å; E118-L436 PolarHBondContact O-N 3Å; L119-L436 HydrophobicContact CD2-CB 3.91Å; L119-L436 HydrophobicContact CD2-CD1 3.78Å; L119-L436 HydrophobicContact CD2-CD2 4.37Å; L119-L436 HydrophobicContact CD2-CG 4.23Å; R120-L436 PolarHBondContact N-O 2.76Å; L420-L436 HydrophobicContact CD2-CD2 4.38Å; L424-L436 HydrophobicContact CD1-CD2 4.01Å; I433-L436 HydrophobicContact CG2-CD1 3.71Å; I433-L436 HydrophobicContact CG2-CG 4.41Å; L436-V450 HydrophobicContact CB-CG1 4.08Å; L436-V450 HydrophobicContact CD2-CG1 4.43Å; L436-V451 WeakPolarHBondContact CA-O 3.39Å; L436-V452 HydrophobicContact CB-CG2 4.4Å; L436-V452 HydrophobicContact CD2-CG2 3.78Å; L436-V452 HydrophobicContact CG-CB 4.46Å; L436-V452 HydrophobicContact CG-CG1 4.08Å; L436-V452 HydrophobicContact CG-CG2 3.83Å
437Q98.5Very high97.4Very high14 Ų1422 Ų227%0.06510%0.101CC..EExtended strand (participates in β ladder)trans-111.5113.3179.1179.956.475.300109.4R120 N121 I123 E302 Y435 V450 V451R120-Q437 VanDerWaalsContact CD-OE1 3.31Å; N121-Q437 PolarHBondContact O-NE2 3.14Å; I123-Q437 HydrophobicContact CD1-CG 3.76Å; I123-Q437 HydrophobicContact CG1-CG 4.42Å; E302-Q437 HydrophobicContact CG-CB 3.99Å; E302-Q437 HydrophobicContact CG-CG 3.69Å; Y435-Q437 HydrophobicContact CD2-CB 4.08Å; Y435-Q437 HydrophobicContact CE2-CB 3.91Å; Q437-V450 CarbonylContact O-C 3.57Å; Q437-V450 WeakPolarHBondContact O-CA 3.32Å; Q437-V451 PolarHBondContact N-O 3.19Å; Q437-V451 PolarHBondContact O-N 2.87Å
438S98Very high97.3Very high0 Ų022.3 Ų22.30%010%0.103CC..EExtended strand (participates in β ladder)trans-86.7145.6173.148.50000111.2T122 I123 E449T122-S438 CarbonylContact C-O 3.59Å; T122-S438 WeakPolarHBondContact CA-O 3.33Å; T122-S438 WeakPolarHBondContact CA-OG 3.25Å; T122-S438 WeakPolarHBondContact CB-OG 3.36Å; T122-S438 PolarHBondContact OG1-OG 3.04Å; I123-S438 PolarHBondContact N-O 3.1Å; S438-E449 CarbonylContact C-O 3.52Å; S438-E449 VanDerWaalsContact CA-O 3.24Å; S438-E449 WeakPolarHBondContact CA-O 3.47Å
439V98.4Very high97.3Very high0 Ų022.5 Ų22.50%010%0.104CC..EExtended strand (participates in β ladder)trans-126.3131.3178.5-177.90000108.2I123 Q295 I298 L299 M441 E449I123-V439 HydrophobicContact CD1-CG2 4.41Å; Q295-V439 HydrophobicContact CB-CG1 4.47Å; I298-V439 HydrophobicContact CG2-CG1 4.15Å; L299-V439 HydrophobicContact CB-CG1 4.36Å; L299-V439 HydrophobicContact CD1-CB 3.96Å; L299-V439 HydrophobicContact CD1-CG2 3.83Å; V439-M441 VanDerWaalsContact C-N 3.32Å; V439-M441 HydrophobicContact CG1-CG 4.45Å; V439-M441 HydrophobicContact CG1-SD 4.08Å; V439-M441 PolarHBondContact O-N 2.83Å; V439-E449 PolarHBondContact N-O 3.34Å; V439-E449 PolarHBondContact O-N 2.96Å
440D98.2Very high97.3Very high0 Ų016.7 Ų16.70%08%0.078CC..  trans-81.177.7177.4-172.55000111.7Y91 L95 K98 T122 I123 Q295 F442 P443Y91-D440 WeakPolarHBondContact CE2-OD2 3.35Å; Y91-D440 PolarHBondContact OH-OD2 3.25Å; L95-D440 HydrophobicContact CD2-CB 3.94Å; K98-D440 HydrophobicContact CD-CB 4.29Å; K98-D440 IonicContact NZ-OD1 3.76Å; K98-D440 PolarHBondContact NZ-OD1 2.94Å; K98-D440 IonicContact NZ-OD2 2.92Å; K98-D440 PolarHBondContact NZ-OD2 3.08Å; T122-D440 HydrophobicContact CG2-CB 4.25Å; I123-D440 WeakPolarHBondContact O-CB 3.4Å; I123-D440 PolarHBondContact O-N 3.19Å; Q295-D440 VanDerWaalsContact CG-O 3.32Å; Q295-D440 WeakPolarHBondContact CG-O 3.36Å; Q295-D440 PolarHBondContact OE1-O 2.98Å; D440-F442 PolarHBondContact O-N 2.81Å; D440-F442 PolarHBondContact OD1-N 2.97Å; D440-F442 VanDerWaalsContact OD1-N 3.14Å; D440-P443 WeakPolarHBondContact OD1-CA 3.27Å; D440-P443 WeakPolarHBondContact OD1-CD 3.41Å; D440-P443 WeakPolarHBondContact OD2-CA 3.35Å
441M96.9Very high97.4Very high0 Ų015 Ų150%07%0.069CC..SBendtrans-64.1-23.9175.1-65-63.7-67.700113.6Q290 N292 Q295 T296 L299 V439 E449Q290-M441 HydrophobicContact CB-CE 4.35Å; Q290-M441 HydrophobicContact CG-CE 4.33Å; N292-M441 WeakPolarHBondContact CB-O 3.3Å; N292-M441 PolarHBondContact ND2-O 3.22Å; Q295-M441 HydrophobicContact CB-CE 4.43Å; Q295-M441 HydrophobicContact CB-SD 3.55Å; Q295-M441 VanDerWaalsContact CB-SD 3.55Å; T296-M441 WeakPolarHBondContact OG1-CE 3.44Å; L299-M441 HydrophobicContact CB-SD 4.01Å; L299-M441 HydrophobicContact CD2-CE 4.35Å; L299-M441 HydrophobicContact CD2-SD 4.11Å; V439-M441 VanDerWaalsContact C-N 3.32Å; V439-M441 HydrophobicContact CG1-CG 4.45Å; V439-M441 HydrophobicContact CG1-SD 4.08Å; V439-M441 PolarHBondContact O-N 2.83Å; M441-E449 HydrophobicContact CB-CG 4.12Å; M441-E449 HydrophobicContact CG-CB 3.81Å; M441-E449 HydrophobicContact CG-CG 3.5Å; M441-E449 VanDerWaalsContact CG-CG 3.5Å
442F97.2Very high97.4Very high32 Ų3214.9 Ų14.914%0.147%0.069CC..SBendtrans-138.973.9-172.7-50.2-75.7000111.1K98 Y131 L291 D440 T445 R447K98-F442 PolarHBondContact NZ-O 3.4Å; Y131-F442 HydrophobicContact CE2-CD1 4.47Å; L291-F442 HydrophobicContact CB-CE1 4.05Å; L291-F442 HydrophobicContact CD1-CE1 4.05Å; L291-F442 HydrophobicContact CG-CE1 4.35Å; D440-F442 PolarHBondContact O-N 2.81Å; D440-F442 PolarHBondContact OD1-N 2.97Å; D440-F442 VanDerWaalsContact OD1-N 3.14Å; F442-T445 HydrophobicContact CB-CG2 4.04Å; F442-T445 WeakPolarHBondContact CB-OG1 3.5Å; F442-T445 WeakPolarHBondContact O-CB 3.5Å; F442-T445 PolarHBondContact O-N 3.1Å; F442-T445 VanDerWaalsContact O-N 3.15Å; F442-T445 PolarHBondContact O-OG1 3.3Å; F442-R447 HydrophobicContact CB-CB 4.4Å; F442-R447 HydrophobicContact CD2-CB 3.77Å; F442-R447 HydrophobicContact CG-CB 4.46Å
443P98.1Very high97.5Very high0 Ų012.2 Ų12.20%06%0.056CC..THydrogen-bonded Turntrans-52.6151176.1-26.532.2000112.4Y91 M125 P128 Y131 D440 T445Y91-P443 HydrophobicContact CE2-CB 3.84Å; Y91-P443 HydrophobicContact CE2-CG 4.45Å; M125-P443 HydrophobicContact CB-CG 4.4Å; M125-P443 HydrophobicContact CG-CG 3.95Å; M125-P443 HydrophobicContact SD-CG 3.47Å; M125-P443 WeakPolarHBondContact SD-CG 2.78Å; P128-P443 HydrophobicContact CB-CB 3.6Å; P128-P443 HydrophobicContact CB-CG 4.05Å; Y131-P443 HydrophobicContact CD1-CB 4.37Å; Y131-P443 HydrophobicContact CD1-CG 4.08Å; Y131-P443 HydrophobicContact CE1-CB 3.85Å; Y131-P443 HydrophobicContact CE1-CG 3.93Å; Y131-P443 PolarHBondContact OH-O 3.25Å; D440-P443 WeakPolarHBondContact OD1-CA 3.27Å; D440-P443 WeakPolarHBondContact OD1-CD 3.41Å; D440-P443 WeakPolarHBondContact OD2-CA 3.35Å; P443-T445 PolarHBondContact O-N 2.91Å; P443-T445 VanDerWaalsContact O-N 3.15Å
444Q97.8Very high97.5Very high5 Ų511.5 Ų11.52%0.0235%0.053CC..THydrogen-bonded Turntrans69.2-2.7-175.5-36.9-51.7-2900115.6C84 Q85 L86 Q87 P128 W129 V168C84-Q444 HydrophobicContact CB-CB 4.26Å; Q85-Q444 PolarHBondContact N-O 2.92Å; L86-Q444 PolarHBondContact N-O 3.28Å; Q87-Q444 HydrophobicContact CG-CB 3.72Å; Q87-Q444 HydrophobicContact CG-CG 4.1Å; P128-Q444 PolarHBondContact O-NE2 3.42Å; W129-Q444 HydrophobicContact CE3-CG 4.1Å; W129-Q444 VanDerWaalsContact CH2-CD 3.47Å; W129-Q444 HydrophobicContact CH2-CG 3.67Å; W129-Q444 HydrophobicContact CZ2-CG 4.41Å; W129-Q444 HydrophobicContact CZ3-CG 3.51Å; V168-Q444 HydrophobicContact CG1-CB 4.41Å; V168-Q444 HydrophobicContact CG1-CG 4.12Å
445T96.8Very high97.4Very high5 Ų510.8 Ų10.83%0.0315%0.052CC..SBendtrans-110.3163.3172.683.80000111L86 K98 F442 P443 R447L86-T445 WeakPolarHBondContact CD1-O 3.43Å; K98-T445 WeakPolarHBondContact CE-O 3.43Å; K98-T445 PolarHBondContact NZ-O 2.86Å; F442-T445 HydrophobicContact CB-CG2 4.04Å; F442-T445 WeakPolarHBondContact CB-OG1 3.5Å; F442-T445 WeakPolarHBondContact O-CB 3.5Å; F442-T445 PolarHBondContact O-N 3.1Å; F442-T445 VanDerWaalsContact O-N 3.15Å; F442-T445 PolarHBondContact O-OG1 3.3Å; P443-T445 PolarHBondContact O-N 2.91Å; P443-T445 VanDerWaalsContact O-N 3.15Å; T445-R447 PolarHBondContact O-N 2.71Å; T445-R447 PolarHBondContact OG1-N 3.33Å
446A95.2Very high97.3Very high3 Ų316.8 Ų16.83%0.0257%0.074CC..SBendtrans-760.6175.900000114.6N21 F97 L101N21-A446 VanDerWaalsContact C-CB 3.44Å; F97-A446 HydrophobicContact CE1-CB 3.99Å; F97-A446 HydrophobicContact CZ-CB 4.28Å; L101-A446 WeakPolarHBondContact CD1-O 3.46Å
447R94.2Very high97.2Very high70 Ų7022.4 Ų22.426%0.26410%0.099SC..  trans-88.8146.8-175.4-56.4-64.8175.9-173.4-13.3111K98 R391 F442 T445K98-R447 WeakPolarHBondContact CE-O 3.35Å; K98-R447 PolarHBondContact NZ-O 2.89Å; R391-R447 VanDerWaalsContact NH2-NH1 3.15Å; F442-R447 HydrophobicContact CB-CB 4.4Å; F442-R447 HydrophobicContact CD2-CB 3.77Å; F442-R447 HydrophobicContact CG-CB 4.46Å; T445-R447 PolarHBondContact O-N 2.71Å; T445-R447 PolarHBondContact OG1-N 3.33Å
448C94.8Very high97.1Very high7 Ų722.8 Ų22.85%0.04710%0.1CC..  trans-145.4162.5166.459.40000108.2K98K98-C448 HydrophobicContact CB-CB 3.97Å; K98-C448 HydrophobicContact CD-CB 3.97Å; K98-C448 HydrophobicContact CG-CB 3.9Å
449E97.4Very high97Very high5 Ų524 Ų242%0.02311%0.105CC..EExtended strand (participates in β ladder)trans-111.9156.1168.2-58.6-164.1-171.700109.3Q290 L299 S414 C415 S438 V439 M441Q290-E449 PolarHBondContact NE2-OE1 2.93Å; L299-E449 HydrophobicContact CD1-CB 3.98Å; L299-E449 HydrophobicContact CD2-CB 4.39Å; L299-E449 WeakPolarHBondContact CD2-OE2 3.49Å; S414-E449 CarbonylContact O-C 3.57Å; S414-E449 VanDerWaalsContact O-CA 3.25Å; S414-E449 WeakPolarHBondContact O-CA 3.45Å; C415-E449 HydrophobicContact CB-CG 4.05Å; S438-E449 CarbonylContact C-O 3.52Å; S438-E449 VanDerWaalsContact CA-O 3.24Å; S438-E449 WeakPolarHBondContact CA-O 3.47Å; V439-E449 PolarHBondContact N-O 3.34Å; V439-E449 PolarHBondContact O-N 2.96Å; M441-E449 HydrophobicContact CB-CG 4.12Å; M441-E449 HydrophobicContact CG-CB 3.81Å; M441-E449 HydrophobicContact CG-CG 3.5Å; M441-E449 VanDerWaalsContact CG-CG 3.5Å
450V98.4Very high97Very high0 Ų025.3 Ų25.30%011%0.111CC..EExtended strand (participates in β ladder)trans-132.7128.8-174.8-175.70000109.8L102 I413 S414 V417 L420 L436 Q437 V452L102-V450 HydrophobicContact CD1-CG1 4.48Å; L102-V450 HydrophobicContact CD1-CG2 4.41Å; L102-V450 HydrophobicContact CD2-CG1 3.93Å; L102-V450 HydrophobicContact CD2-CG2 4.27Å; I413-V450 CarbonylContact C-O 3.59Å; I413-V450 WeakPolarHBondContact CA-O 3.33Å; S414-V450 PolarHBondContact N-O 3.3Å; S414-V450 PolarHBondContact O-N 2.97Å; V417-V450 HydrophobicContact CG1-CG2 3.96Å; L420-V450 HydrophobicContact CD2-CB 3.8Å; L420-V450 HydrophobicContact CD2-CG1 3.74Å; L420-V450 HydrophobicContact CD2-CG2 4.34Å; L436-V450 HydrophobicContact CB-CG1 4.08Å; L436-V450 HydrophobicContact CD2-CG1 4.43Å; Q437-V450 CarbonylContact O-C 3.57Å; Q437-V450 WeakPolarHBondContact O-CA 3.32Å; V450-V452 HydrophobicContact CG1-CG2 4.02Å
451V98.6Very high96.9Very high0 Ų026.8 Ų26.80%012%0.118CC..EExtended strand (participates in β ladder)trans-96.9129.2166.4-175.50000108.4L299 E302 A303 A306 V411 Y412 I413 L436 Q437L299-V451 HydrophobicContact CD1-CG2 3.61Å; L299-V451 HydrophobicContact CG-CG2 4.37Å; E302-V451 HydrophobicContact CB-CG2 4.17Å; E302-V451 HydrophobicContact CG-CB 3.93Å; E302-V451 HydrophobicContact CG-CG1 4.14Å; E302-V451 HydrophobicContact CG-CG2 3.96Å; A303-V451 HydrophobicContact CB-CG1 4.23Å; A306-V451 HydrophobicContact CB-CG1 4.17Å; V411-V451 HydrophobicContact CG1-CG1 3.72Å; Y412-V451 CarbonylContact O-C 3.6Å; Y412-V451 WeakPolarHBondContact O-CA 3.34Å; I413-V451 HydrophobicContact CG1-CG2 4.37Å; L436-V451 WeakPolarHBondContact CA-O 3.39Å; Q437-V451 PolarHBondContact N-O 3.19Å; Q437-V451 PolarHBondContact O-N 2.87Å
452V98.6Very high96.9Very high0 Ų028.5 Ų28.50%013%0.125CC..EExtended strand (participates in β ladder)trans-116.2123.6175.5-174.40000109V411 Y412 L420 L424 I433 Y435 L436 V450 M454V411-V452 VanDerWaalsContact CA-O 3.3Å; V411-V452 WeakPolarHBondContact CA-O 3.39Å; Y412-V452 PolarHBondContact N-O 3.09Å; Y412-V452 PolarHBondContact O-N 3.31Å; L420-V452 HydrophobicContact CD1-CG2 3.85Å; L420-V452 HydrophobicContact CD2-CG2 3.84Å; L420-V452 HydrophobicContact CG-CG2 4.36Å; L424-V452 HydrophobicContact CD2-CG1 4.37Å; I433-V452 HydrophobicContact CG2-CG1 3.75Å; Y435-V452 WeakPolarHBondContact O-CA 3.37Å; L436-V452 HydrophobicContact CB-CG2 4.4Å; L436-V452 HydrophobicContact CD2-CG2 3.78Å; L436-V452 HydrophobicContact CG-CB 4.46Å; L436-V452 HydrophobicContact CG-CG1 4.08Å; L436-V452 HydrophobicContact CG-CG2 3.83Å; V450-V452 HydrophobicContact CG1-CG2 4.02Å; V452-M454 HydrophobicContact CG1-CG 3.83Å; V452-M454 HydrophobicContact CG1-SD 4.25Å
453K98.1Very high96.9Very high37 Ų3728.3 Ų28.316%0.16112%0.124CC..EExtended strand (participates in β ladder)trans-92132.4169.9-174.5-179.5177.2161.90109.6A306 D308 D434 Y435A306-K453 HydrophobicContact CB-CB 4.02Å; A306-K453 HydrophobicContact CB-CD 4.45Å; A306-K453 HydrophobicContact CB-CG 4.25Å; A306-K453 VanDerWaalsContact O-CD 3.3Å; A306-K453 WeakPolarHBondContact O-CD 3.27Å; A306-K453 WeakPolarHBondContact O-CE 3.46Å; A306-K453 WeakPolarHBondContact O-CG 3.46Å; D308-K453 IonicContact OD2-NZ 3.69Å; D434-K453 HydrophobicContact CB-CB 4.22Å; D434-K453 HydrophobicContact CB-CD 4.3Å; D434-K453 HydrophobicContact CB-CG 4.18Å; D434-K453 PolarHBondContact N-O 2.93Å; D434-K453 WeakPolarHBondContact OD2-CE 3.08Å; D434-K453 WeakPolarHBondContact OD2-CG 3.48Å; Y435-K453 HydrophobicContact CD1-CB 3.73Å; Y435-K453 HydrophobicContact CD1-CD 3.98Å; Y435-K453 HydrophobicContact CD1-CG 4.44Å; Y435-K453 HydrophobicContact CD2-CB 4.46Å; Y435-K453 HydrophobicContact CE1-CB 3.43Å; Y435-K453 VanDerWaalsContact CE1-CB 3.43Å; Y435-K453 HydrophobicContact CE1-CD 3.35Å; Y435-K453 HydrophobicContact CE1-CG 3.99Å; Y435-K453 HydrophobicContact CE2-CB 4.18Å; Y435-K453 HydrophobicContact CG-CB 4.26Å; Y435-K453 PolarHBondContact O-N 2.89Å
454M97.8Very high96.8Very high0 Ų030.3 Ų30.30%013%0.133CC..EExtended strand (participates in β ladder)trans-135.2138.9-179.5-62.8176.3-77.900110.8M410 L424 L427 Y431 H432 I433 V452M410-M454 HydrophobicContact CB-CB 4.25Å; M410-M454 HydrophobicContact CB-CE 3.96Å; M410-M454 HydrophobicContact CE-CE 4.16Å; M410-M454 HydrophobicContact CG-CE 3.62Å; M410-M454 PolarHBondContact N-O 3.45Å; M410-M454 WeakPolarHBondContact O-CA 3.12Å; M410-M454 WeakPolarHBondContact O-CB 3.29Å; M410-M454 PolarHBondContact O-N 3.16Å; M410-M454 HydrophobicContact SD-CE 3.69Å; L424-M454 HydrophobicContact CD2-SD 4.07Å; L427-M454 HydrophobicContact CB-SD 4.23Å; L427-M454 HydrophobicContact CD1-CE 4.3Å; L427-M454 HydrophobicContact CD1-SD 4.17Å; Y431-M454 HydrophobicContact CD1-CB 4.07Å; Y431-M454 HydrophobicContact CG-CB 4.06Å; H432-M454 VanDerWaalsContact O-CA 3.29Å; H432-M454 WeakPolarHBondContact O-CA 3.28Å; I433-M454 HydrophobicContact CD1-CG 3.57Å; I433-M454 HydrophobicContact CD1-SD 3.6Å; I433-M454 VanDerWaalsContact CD1-SD 3.6Å; V452-M454 HydrophobicContact CG1-CG 3.83Å; V452-M454 HydrophobicContact CG1-SD 4.25Å
455S96.6Very high96.7Very high37 Ų3732.2 Ų32.226%0.25914%0.142SC..EExtended strand (participates in β ladder)trans-121.2140.6175.960.80000109.9Y431 H432 D434 K457Y431-S455 CarbonylContact C-O 3.6Å; Y431-S455 VanDerWaalsContact CA-O 3.25Å; Y431-S455 WeakPolarHBondContact CA-O 3.28Å; Y431-S455 WeakPolarHBondContact CD1-O 3.35Å; H432-S455 PolarHBondContact N-O 3.45Å; H432-S455 PolarHBondContact O-N 3.31Å; D434-S455 PolarHBondContact OD1-OG 2.8Å; S455-K457 PolarHBondContact O-N 3Å
456R95.8Very high96.7Very high137 Ų13734.5 Ų34.552%0.51715%0.151SC..EExtended strand (participates in β ladder)trans-62.5139.9-176.6-162.7176.6100.5174.42.7110.7P406 P408 Y431P406-R456 HydrophobicContact CB-CG 4.17Å; P406-R456 HydrophobicContact CG-CG 4.44Å; P406-R456 WeakPolarHBondContact O-CD 3.37Å; P406-R456 PolarHBondContact O-NH1 3.35Å; P408-R456 PolarHBondContact O-N 3.18Å; Y431-R456 HydrophobicContact CD1-CB 4.34Å; Y431-R456 HydrophobicContact CE1-CB 4.23Å
457K95Very high96.8Very high118 Ų11837.4 Ų37.451%0.51316%0.162SC..  trans-67.30174.8-70.2-167.9171.8175.60113.4E112 A428 I430 Y431 S455E112-K457 IonicContact OE1-NZ 2.94Å; E112-K457 PolarHBondContact OE1-NZ 2.93Å; A428-K457 WeakPolarHBondContact O-CE 3.28Å; A428-K457 PolarHBondContact O-NZ 3.32Å; I430-K457 PolarHBondContact O-N 3.46Å; Y431-K457 WeakPolarHBondContact O-CE 3.31Å; S455-K457 PolarHBondContact O-N 3Å

Retrieved 457 of 457 residues in 145.7 ms (Link to these results)

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