A0A096LTP2_POEFO Loading...

Gelsolin-like domain-containing protein

AlphaFold DB , UniProt , Accession A0A096LTP2, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 280 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
1M55.9Low80.7Confident169 Ų16981.4 Ų81.483%0.83340%0.398SS*.  0127.70-71.9-178-74.100106.7F10M1-F10 HydrophobicContact CE-CD2 4.21Å; M1-F10 HydrophobicContact CE-CE2 4.25Å
2T75.1Confident81.3Confident75 Ų7579.1 Ų79.146%0.4640%0.396SS..  trans-74150170.631.80000109Q5T2-Q5 PolarHBondContact O-N 2.8Å; T2-Q5 WeakPolarHBondContact OG1-CB 3.36Å; T2-Q5 PolarHBondContact OG1-OE1 3.05Å
3Q77.9Confident81.8Confident100 Ų10084.1 Ų84.147%0.46742%0.417SS..THydrogen-bonded Turntrans-62.9139.8-178.7-171.1179.238.400109.7Q5 I20Q3-Q5 PolarHBondContact O-N 2.87Å; Q3-Q5 VanDerWaalsContact O-N 3.11Å; Q3-I20 HydrophobicContact CG-CD1 4.4Å; Q3-I20 HydrophobicContact CG-CG2 3.97Å
4Q80.7Confident82.2Confident26 Ų2683.4 Ų83.412%0.12141%0.411CS..THydrogen-bonded Turntrans66.6-0.8-177.5-58.8-174.777.200115.9E6 I20 R49 I51 C166 H268Q4-E6 WeakPolarHBondContact CA-OE2 3.32Å; Q4-E6 PolarHBondContact N-OE1 3.07Å; Q4-E6 PolarHBondContact N-OE2 3.05Å; Q4-I20 HydrophobicContact CG-CD1 3.9Å; Q4-R49 PolarHBondContact O-NH2 3.43Å; Q4-I51 VanDerWaalsContact CD-CD1 3.49Å; Q4-I51 HydrophobicContact CG-CD1 3.93Å; Q4-C166 HydrophobicContact CB-CB 3.82Å; Q4-H268 PolarHBondContact OE1-O 3.15Å
5Q83.6Confident82.5Confident77 Ų7789.7 Ų89.736%0.3644%0.435SS..  trans-108.626.4175-63.6-177.4-17.100112T2 Q3T2-Q5 PolarHBondContact O-N 2.8Å; T2-Q5 WeakPolarHBondContact OG1-CB 3.36Å; T2-Q5 PolarHBondContact OG1-OE1 3.05Å; Q3-Q5 PolarHBondContact O-N 2.87Å; Q3-Q5 VanDerWaalsContact O-N 3.11Å
6E84.2Confident82.7Confident25 Ų2588.8 Ų88.812%0.11743%0.425CS..  trans-70142.7177.6-53.880.7-174.700111.5Q4 F10 L11 F18 R49Q4-E6 WeakPolarHBondContact CA-OE2 3.32Å; Q4-E6 PolarHBondContact N-OE1 3.07Å; Q4-E6 PolarHBondContact N-OE2 3.05Å; E6-F10 HydrophobicContact CB-CD1 3.63Å; E6-F10 HydrophobicContact CB-CE1 4.15Å; E6-F10 HydrophobicContact CG-CD1 3.9Å; E6-F10 HydrophobicContact CG-CE1 3.88Å; E6-L11 HydrophobicContact CB-CD2 4.14Å; E6-L11 HydrophobicContact CB-CG 4.33Å; E6-F18 HydrophobicContact CG-CE1 4.42Å; E6-F18 HydrophobicContact CG-CZ 4.14Å; E6-R49 IonicContact OE2-NE 3.75Å; E6-R49 IonicContact OE2-NH2 3.99Å
7N85.6Confident83.1Confident89 Ų8988.1 Ų88.148%0.47642%0.42SS..  trans-75156.7-17970.842.7000112.4K9 F10 L11N7-K9 PolarHBondContact O-N 3.19Å; N7-K9 PolarHBondContact OD1-N 3.49Å; N7-F10 WeakPolarHBondContact O-CB 3.46Å; N7-F10 PolarHBondContact O-N 3.43Å; N7-F10 VanDerWaalsContact O-N 3.08Å; N7-F10 VanDerWaalsContact OD1-CB 3.28Å; N7-F10 WeakPolarHBondContact OD1-CB 3.14Å; N7-F10 PolarHBondContact OD1-N 3.17Å; N7-L11 PolarHBondContact O-N 3.24Å
8L84.9Confident83.5Confident97 Ų9784.7 Ų84.751%0.50840%0.403SS..Hα-helixtrans-58.4-33.8-178.7-64.9176.9000113.7F10 L11 S12 L46 C47L8-F10 VanDerWaalsContact C-N 3.35Å; L8-L11 PolarHBondContact O-N 2.7Å; L8-S12 WeakPolarHBondContact O-CB 3.32Å; L8-S12 PolarHBondContact O-N 3.21Å; L8-L46 HydrophobicContact CD2-CB 4.43Å; L8-C47 WeakPolarHBondContact CD2-SG 3.44Å
9K87.4Confident83.9Confident171 Ų17182.9 Ų82.974%0.74340%0.396SS*.Hα-helixtrans-63.8-43.7177.9-67.5-177.7179.2179.40110.5N7 S12 H13N7-K9 PolarHBondContact O-N 3.19Å; N7-K9 PolarHBondContact OD1-N 3.49Å; K9-S12 PolarHBondContact O-N 3.31Å; K9-S12 PolarHBondContact O-OG 3.16Å; K9-H13 PolarHBondContact O-CD2 3.47Å; K9-H13 VanDerWaalsContact O-CD2 3.31Å
10F87.4Confident84.3Confident61 Ų6179.4 Ų79.427%0.26838%0.379SS..Hα-helixtrans-62.7-49.8175.9177.9-98.7000110.9M1 E6 N7 L8 S12 H13 F14 F18M1-F10 HydrophobicContact CE-CD2 4.21Å; M1-F10 HydrophobicContact CE-CE2 4.25Å; E6-F10 HydrophobicContact CB-CD1 3.63Å; E6-F10 HydrophobicContact CB-CE1 4.15Å; E6-F10 HydrophobicContact CG-CD1 3.9Å; E6-F10 HydrophobicContact CG-CE1 3.88Å; N7-F10 WeakPolarHBondContact O-CB 3.46Å; N7-F10 PolarHBondContact O-N 3.43Å; N7-F10 VanDerWaalsContact O-N 3.08Å; N7-F10 VanDerWaalsContact OD1-CB 3.28Å; N7-F10 WeakPolarHBondContact OD1-CB 3.14Å; N7-F10 PolarHBondContact OD1-N 3.17Å; L8-F10 VanDerWaalsContact C-N 3.35Å; F10-S12 PolarHBondContact O-N 3.42Å; F10-H13 WeakPolarHBondContact O-CB 3.44Å; F10-H13 PolarHBondContact O-CD2 2.73Å; F10-H13 PolarHBondContact O-N 3.32Å; F10-F14 AromaticContact CD1-CE2 3.75Å; F10-F14 HydrophobicContact CD1-CE2 3.75Å; F10-F14 HydrophobicContact CD2-CE2 4.22Å; F10-F14 HydrophobicContact CE1-CD2 4.42Å; F10-F14 AromaticContact CE1-CE2 3.42Å; F10-F14 HydrophobicContact CE1-CE2 3.42Å; F10-F14 VanDerWaalsContact CE1-CE2 3.42Å; F10-F14 AromaticContact CE1-CZ 3.86Å; F10-F14 HydrophobicContact CE1-CZ 3.86Å; F10-F14 AromaticContact CE2-CE2 3.9Å; F10-F14 HydrophobicContact CE2-CE2 3.9Å; F10-F14 AromaticContact CE2-CZ 3.99Å; F10-F14 HydrophobicContact CE2-CZ 3.99Å; F10-F14 HydrophobicContact CG-CE2 4.16Å; F10-F14 AromaticContact CZ-CE2 3.5Å; F10-F14 HydrophobicContact CZ-CE2 3.5Å; F10-F14 VanDerWaalsContact CZ-CE2 3.5Å; F10-F14 AromaticContact CZ-CZ 3.52Å; F10-F14 HydrophobicContact CZ-CZ 3.52Å; F10-F14 VanDerWaalsContact O-CD2 3.25Å; F10-F14 WeakPolarHBondContact O-CD2 3.47Å; F10-F14 VanDerWaalsContact O-CE2 3.28Å; F10-F14 WeakPolarHBondContact O-CE2 3.24Å; F10-F18 HydrophobicContact CE1-CD2 4.49Å; F10-F18 AromaticContact CE1-CE2 3.61Å; F10-F18 HydrophobicContact CE1-CE2 3.61Å; F10-F18 AromaticContact CE1-CZ 3.9Å; F10-F18 HydrophobicContact CE1-CZ 3.9Å; F10-F18 HydrophobicContact CZ-CE2 4.27Å
11L85.7Confident84.5Confident5 Ų580.3 Ų80.33%0.02638%0.383CS..Hα-helixtrans-59.5-33.8179.1-65.2176.9000113E6 N7 L8 H13 F14 F18 L46E6-L11 HydrophobicContact CB-CD2 4.14Å; E6-L11 HydrophobicContact CB-CG 4.33Å; N7-L11 PolarHBondContact O-N 3.24Å; L8-L11 PolarHBondContact O-N 2.7Å; L11-H13 PolarHBondContact O-N 3.48Å; L11-H13 VanDerWaalsContact O-N 3.15Å; L11-F14 PolarHBondContact O-N 3.1Å; L11-F14 VanDerWaalsContact O-N 3.07Å; L11-F18 HydrophobicContact CD2-CB 4.42Å; L11-F18 HydrophobicContact CD2-CD1 3.8Å; L11-F18 HydrophobicContact CD2-CD2 4.37Å; L11-F18 HydrophobicContact CD2-CE1 4.08Å; L11-F18 HydrophobicContact CD2-CG 3.95Å; L11-L46 WeakPolarHBondContact CB-O 3.48Å
12S87.1Confident85.7Confident54 Ų5476.5 Ų76.538%0.37836%0.362SS..Hα-helixtrans-59.8-26.6179.678.70000114.2L8 K9 F10 F14 K15L8-S12 WeakPolarHBondContact O-CB 3.32Å; L8-S12 PolarHBondContact O-N 3.21Å; K9-S12 PolarHBondContact O-N 3.31Å; K9-S12 PolarHBondContact O-OG 3.16Å; F10-S12 PolarHBondContact O-N 3.42Å; S12-F14 VanDerWaalsContact C-N 3.25Å; S12-F14 PolarHBondContact O-N 3.11Å; S12-K15 PolarHBondContact O-N 3.15Å
13H88.6Confident85.7Confident144 Ų14476.5 Ų76.567%0.66738%0.377SS*.THydrogen-bonded Turntrans-68.6-24.3178.2-65.5-60.7000113.4K9 F10 L11K9-H13 PolarHBondContact O-CD2 3.47Å; K9-H13 VanDerWaalsContact O-CD2 3.31Å; F10-H13 WeakPolarHBondContact O-CB 3.44Å; F10-H13 PolarHBondContact O-CD2 2.73Å; F10-H13 PolarHBondContact O-N 3.32Å; L11-H13 PolarHBondContact O-N 3.48Å; L11-H13 VanDerWaalsContact O-N 3.15Å
14F86.7Confident85.4Confident75 Ų7577 Ų7733%0.32938%0.377SS..THydrogen-bonded Turntrans-90.8-3.6-174.9-59.8-85000113.3F10 L11 S12 R16 K17 F18F10-F14 AromaticContact CD1-CE2 3.75Å; F10-F14 HydrophobicContact CD1-CE2 3.75Å; F10-F14 HydrophobicContact CD2-CE2 4.22Å; F10-F14 HydrophobicContact CE1-CD2 4.42Å; F10-F14 AromaticContact CE1-CE2 3.42Å; F10-F14 HydrophobicContact CE1-CE2 3.42Å; F10-F14 VanDerWaalsContact CE1-CE2 3.42Å; F10-F14 AromaticContact CE1-CZ 3.86Å; F10-F14 HydrophobicContact CE1-CZ 3.86Å; F10-F14 AromaticContact CE2-CE2 3.9Å; F10-F14 HydrophobicContact CE2-CE2 3.9Å; F10-F14 AromaticContact CE2-CZ 3.99Å; F10-F14 HydrophobicContact CE2-CZ 3.99Å; F10-F14 HydrophobicContact CG-CE2 4.16Å; F10-F14 AromaticContact CZ-CE2 3.5Å; F10-F14 HydrophobicContact CZ-CE2 3.5Å; F10-F14 VanDerWaalsContact CZ-CE2 3.5Å; F10-F14 AromaticContact CZ-CZ 3.52Å; F10-F14 HydrophobicContact CZ-CZ 3.52Å; F10-F14 VanDerWaalsContact O-CD2 3.25Å; F10-F14 WeakPolarHBondContact O-CD2 3.47Å; F10-F14 VanDerWaalsContact O-CE2 3.28Å; F10-F14 WeakPolarHBondContact O-CE2 3.24Å; L11-F14 PolarHBondContact O-N 3.1Å; L11-F14 VanDerWaalsContact O-N 3.07Å; S12-F14 VanDerWaalsContact C-N 3.25Å; S12-F14 PolarHBondContact O-N 3.11Å; F14-R16 VanDerWaalsContact C-N 3.26Å; F14-R16 PolarHBondContact O-N 3.18Å; F14-K17 WeakPolarHBondContact O-CB 3.33Å; F14-K17 PolarHBondContact O-N 2.79Å; F14-F18 HydrophobicContact CB-CB 4.22Å; F14-F18 HydrophobicContact CB-CD2 4.44Å; F14-F18 AromaticContact CD1-CD2 3.97Å; F14-F18 HydrophobicContact CD1-CD2 3.97Å; F14-F18 AromaticContact CD2-CD2 3.74Å; F14-F18 HydrophobicContact CD2-CD2 3.74Å; F14-F18 HydrophobicContact CD2-CE2 4.3Å; F14-F18 HydrophobicContact CE1-CD2 4.13Å; F14-F18 HydrophobicContact CE1-CE2 4.37Å; F14-F18 AromaticContact CE2-CD2 3.92Å; F14-F18 HydrophobicContact CE2-CD2 3.92Å; F14-F18 HydrophobicContact CE2-CE2 4.02Å; F14-F18 HydrophobicContact CG-CB 4.44Å; F14-F18 AromaticContact CG-CD2 3.77Å; F14-F18 HydrophobicContact CG-CD2 3.77Å; F14-F18 HydrophobicContact CZ-CD2 4.11Å; F14-F18 HydrophobicContact CZ-CE2 4.05Å
15K86.8Confident84.7Confident177 Ų17787.9 Ų87.977%0.7742%0.417SS*.THydrogen-bonded Turntrans49.346.3176.9-55.6179.3-178.5178.50112.5S12 K17S12-K15 PolarHBondContact O-N 3.15Å; K15-K17 PolarHBondContact O-N 2.84Å
16R86.4Confident83.5Confident75 Ų7594 Ų9428%0.28344%0.443SS..THydrogen-bonded Turntrans71.12.6-177.7-47.917462.4-167.3-1.1115.9F14 F18 A45 T48 L96F14-R16 VanDerWaalsContact C-N 3.26Å; F14-R16 PolarHBondContact O-N 3.18Å; R16-F18 PolarHBondContact O-N 2.82Å; R16-A45 WeakPolarHBondContact CG-O 3.32Å; R16-T48 PolarHBondContact NE-OG1 2.88Å; R16-L96 HydrophobicContact CB-CD1 4.31Å; R16-L96 HydrophobicContact CB-CD2 4.04Å
17K88.4Confident82.3Confident78 Ų7898.9 Ų98.934%0.33947%0.466SS..  trans-101.555177.5-57-170.3179.8-164.40111.5F14 K15 L96 D99 I100F14-K17 WeakPolarHBondContact O-CB 3.33Å; F14-K17 PolarHBondContact O-N 2.79Å; K15-K17 PolarHBondContact O-N 2.84Å; K17-L96 HydrophobicContact CG-CD1 4.41Å; K17-D99 PolarHBondContact NZ-O 3.28Å; K17-I100 HydrophobicContact CG-CG1 4.14Å
18F91.4Very high80.4Confident26 Ų26101.3 Ų101.311%0.11448%0.479CS..  trans-96.5113.7177-169.5-113.1000110.3E6 F10 L11 F14 R16 I20 R49 T50E6-F18 HydrophobicContact CG-CE1 4.42Å; E6-F18 HydrophobicContact CG-CZ 4.14Å; F10-F18 HydrophobicContact CE1-CD2 4.49Å; F10-F18 AromaticContact CE1-CE2 3.61Å; F10-F18 HydrophobicContact CE1-CE2 3.61Å; F10-F18 AromaticContact CE1-CZ 3.9Å; F10-F18 HydrophobicContact CE1-CZ 3.9Å; F10-F18 HydrophobicContact CZ-CE2 4.27Å; L11-F18 HydrophobicContact CD2-CB 4.42Å; L11-F18 HydrophobicContact CD2-CD1 3.8Å; L11-F18 HydrophobicContact CD2-CD2 4.37Å; L11-F18 HydrophobicContact CD2-CE1 4.08Å; L11-F18 HydrophobicContact CD2-CG 3.95Å; F14-F18 HydrophobicContact CB-CB 4.22Å; F14-F18 HydrophobicContact CB-CD2 4.44Å; F14-F18 AromaticContact CD1-CD2 3.97Å; F14-F18 HydrophobicContact CD1-CD2 3.97Å; F14-F18 AromaticContact CD2-CD2 3.74Å; F14-F18 HydrophobicContact CD2-CD2 3.74Å; F14-F18 HydrophobicContact CD2-CE2 4.3Å; F14-F18 HydrophobicContact CE1-CD2 4.13Å; F14-F18 HydrophobicContact CE1-CE2 4.37Å; F14-F18 AromaticContact CE2-CD2 3.92Å; F14-F18 HydrophobicContact CE2-CD2 3.92Å; F14-F18 HydrophobicContact CE2-CE2 4.02Å; F14-F18 HydrophobicContact CG-CB 4.44Å; F14-F18 AromaticContact CG-CD2 3.77Å; F14-F18 HydrophobicContact CG-CD2 3.77Å; F14-F18 HydrophobicContact CZ-CD2 4.11Å; F14-F18 HydrophobicContact CZ-CE2 4.05Å; R16-F18 PolarHBondContact O-N 2.82Å; F18-I20 HydrophobicContact CD1-CD1 4.18Å; F18-I20 HydrophobicContact CD1-CG1 4.04Å; F18-I20 HydrophobicContact CE1-CD1 3.71Å; F18-I20 HydrophobicContact CE1-CG1 3.73Å; F18-I20 HydrophobicContact CZ-CG1 4.47Å; F18-R49 HydrophobicContact CD1-CG 4.16Å; F18-T50 PolarHBondContact O-N 3.32Å
19I91.4Very high78.9Confident52 Ų52101.6 Ų101.627%0.26748%0.484SS..EExtended strand (participates in β ladder)trans-112.3131.1-173-55.3168.7000109.9T50 I100 M104I19-T50 CarbonylContact C-O 3.26Å; I19-T50 WeakPolarHBondContact CA-O 3.43Å; I19-I100 HydrophobicContact CD1-CG2 4.12Å; I19-I100 HydrophobicContact CG1-CG2 4.39Å; I19-M104 HydrophobicContact CD1-CB 4.3Å; I19-M104 HydrophobicContact CD1-CG 4.3Å; I19-M104 HydrophobicContact CD1-SD 4.1Å; I19-M104 HydrophobicContact CG2-CE 4.03Å; I19-M104 HydrophobicContact CG2-SD 4.27Å
20I90.4Very high77.1Confident11 Ų11100 Ų1006%0.05648%0.484CS..EExtended strand (participates in β ladder)trans-120.7119.8179.6-54.3-175.7000109.3Q3 Q4 F18 T50 I51 Q52Q3-I20 HydrophobicContact CG-CD1 4.4Å; Q3-I20 HydrophobicContact CG-CG2 3.97Å; Q4-I20 HydrophobicContact CG-CD1 3.9Å; F18-I20 HydrophobicContact CD1-CD1 4.18Å; F18-I20 HydrophobicContact CD1-CG1 4.04Å; F18-I20 HydrophobicContact CE1-CD1 3.71Å; F18-I20 HydrophobicContact CE1-CG1 3.73Å; F18-I20 HydrophobicContact CZ-CG1 4.47Å; I20-T50 PolarHBondContact N-O 3.22Å; I20-I51 HydrophobicContact CB-CB 4.47Å; I20-I51 HydrophobicContact CB-CG1 4.16Å; I20-I51 HydrophobicContact CB-CG2 4.22Å; I20-I51 HydrophobicContact CD1-CD1 4.09Å; I20-I51 HydrophobicContact CD1-CG1 4.06Å; I20-I51 HydrophobicContact CG1-CG1 4.34Å; I20-I51 HydrophobicContact CG2-CG2 4.37Å; I20-Q52 PolarHBondContact O-N 3.23Å
21H88.3Confident75.6Confident100 Ų100100 Ų10046%0.46349%0.492SS..  trans-93.3146.5174.8-66.4-98000111.3Y37 M104H21-Y37 PolarHBondContact CE1-OH 3.33Å; H21-Y37 AromaticContact ND1-CE1 3.91Å; H21-Y37 PolarHBondContact ND1-OH 2.76Å; H21-M104 WeakPolarHBondContact CE1-CE 3.5Å
22K82.8Confident74.9Confident89 Ų89103.7 Ų103.739%0.38751%0.514SS..  trans-81.7146.1170.2-83.9-178.1175.4-175.30109.8Q52K22-Q52 HydrophobicContact CB-CB 4.4Å; K22-Q52 HydrophobicContact CB-CG 4.46Å; K22-Q52 WeakPolarHBondContact CD-O 3.27Å; K22-Q52 WeakPolarHBondContact CE-O 3.31Å; K22-Q52 HydrophobicContact CG-CB 4.4Å; K22-Q52 VanDerWaalsContact CG-O 3.25Å; K22-Q52 WeakPolarHBondContact CG-O 3.34Å
23G74.9Confident74.7Confident75 Ų75107.1 Ų107.177%0.77352%0.524SS*.SBendtrans106-178.417500000115
24K71.4Confident74.8Confident110 Ų110102.2 Ų102.248%0.47851%0.505SS..  trans-105.1132.1-177.6-67.2-178.6177.4-177.50110.3K26 Q27 N278K24-K26 PolarHBondContact O-N 2.7Å; K24-Q27 PolarHBondContact O-N 2.81Å; K24-N278 PolarHBondContact NZ-O 2.84Å
25R65.5Low75Confident255 Ų25599.5 Ų99.596%0.96250%0.496SS*.THydrogen-bonded Turntrans-54.6-21.5179.6-169.6174.6-177.5172.52.4114.9
26K59Low75.4Confident206 Ų20691.1 Ų91.190%0.89646%0.459SS*.THydrogen-bonded Turntrans-94.5-4.5-177.9-74.8-174.3176.8179.90114.8K24K24-K26 PolarHBondContact O-N 2.7Å
27Q57.4Low75.9Confident127 Ų12788 Ų8859%0.59345%0.448SS*.  trans-94.8100.8173.3-84.7176.9-23.200108.7K24 T29K24-Q27 PolarHBondContact O-N 2.81Å; Q27-T29 HydrophobicContact CB-CG2 4.48Å; Q27-T29 PolarHBondContact O-N 2.8Å
28N45.8Very low76.3Confident140 Ų14085.1 Ų85.175%0.74944%0.435SS*.  trans-64.989.6161-10110.4000107.1D30N28-D30 VanDerWaalsContact C-N 3.33Å; N28-D30 PolarHBondContact O-N 2.99Å
29T53.6Low76.4Confident102 Ų10283.9 Ų83.963%0.62643%0.43SS*.  trans-90.884163.241.90000105.3Q27 S31Q27-T29 HydrophobicContact CB-CG2 4.48Å; Q27-T29 PolarHBondContact O-N 2.8Å; T29-S31 PolarHBondContact O-N 2.83Å
30D50.3Low76.5Confident137 Ų13781.7 Ų81.773%0.73342%0.418SS*.  trans-66.424.6169.7-68.9-38.2000111.7N28 V32N28-D30 VanDerWaalsContact C-N 3.33Å; N28-D30 PolarHBondContact O-N 2.99Å; D30-V32 PolarHBondContact O-N 3.41Å
31S55.6Low76.5Confident63 Ų6382.3 Ų82.344%0.44142%0.422SS..  trans-83.8112.3175.859.90000108.6T29 Q33T29-S31 PolarHBondContact O-N 2.83Å; S31-Q33 PolarHBondContact O-N 3.09Å; S31-Q33 WeakPolarHBondContact OG-CG 3.48Å
32V70.9Confident76.3Confident82 Ų8277.9 Ų77.950%0.49740%0.402SS..  trans-63.278.4171-175.10000108.3D30 P71D30-V32 PolarHBondContact O-N 3.41Å; V32-P71 HydrophobicContact CB-CG 4.46Å; V32-P71 HydrophobicContact CG1-CB 3.48Å; V32-P71 VanDerWaalsContact CG1-CB 3.48Å; V32-P71 HydrophobicContact CG1-CG 3.51Å
33Q83.1Confident76.2Confident126 Ų12677 Ų7759%0.58942%0.419SS*.  trans-114.3139.6-173.4-72.2-96.7-11.700110.5S31 S35S31-Q33 PolarHBondContact O-N 3.09Å; S31-Q33 WeakPolarHBondContact OG-CG 3.48Å; Q33-S35 PolarHBondContact O-N 3.46Å
34P89.9Confident76.6Confident40 Ų4076.3 Ų76.326%0.2640%0.402SS..  trans-58.2137.7172.1-25.635.8000112.3T55 K69 G127P34-T55 HydrophobicContact CB-CG2 3.98Å; P34-T55 PolarHBondContact O-OG1 3Å; P34-K69 CarbonylContact C-O 3.49Å; P34-K69 WeakPolarHBondContact CA-O 3.29Å; P34-G127 WeakPolarHBondContact CB-O 3.28Å; P34-G127 VanDerWaalsContact CG-O 3.3Å; P34-G127 WeakPolarHBondContact CG-O 3.39Å
35S92.3Very high77.1Confident19 Ų1973.3 Ų73.313%0.13340%0.397CS..EExtended strand (participates in β ladder)trans-127126.8-179.2-66.30000110.9Q33 Q52 K69Q33-S35 PolarHBondContact O-N 3.46Å; S35-Q52 PolarHBondContact OG-NE2 3.04Å; S35-K69 PolarHBondContact N-O 3.05Å; S35-K69 PolarHBondContact O-N 2.99Å
36L95.2Very high77.9Confident1 Ų164.9 Ų64.91%0.00537%0.371CS..EExtended strand (participates in β ladder)trans-104.8133.7177-174.465.3000110.7Q52 I53 T55 F66 I67 L68 I128L36-Q52 CarbonylContact O-C 3.55Å; L36-Q52 WeakPolarHBondContact O-CA 3.48Å; L36-I53 HydrophobicContact CB-CG1 4.15Å; L36-I53 HydrophobicContact CD2-CD1 3.6Å; L36-I53 HydrophobicContact CD2-CG1 3.92Å; L36-I53 HydrophobicContact CG-CD1 3.95Å; L36-I53 HydrophobicContact CG-CG1 3.85Å; L36-I53 PolarHBondContact O-N 3.18Å; L36-T55 HydrophobicContact CB-CG2 4.36Å; L36-T55 PolarHBondContact N-OG1 3.07Å; L36-F66 HydrophobicContact CD1-CB 4.05Å; L36-F66 HydrophobicContact CD1-CD1 4.31Å; L36-F66 HydrophobicContact CG-CD1 4.42Å; L36-I67 CarbonylContact C-O 3.54Å; L36-I67 WeakPolarHBondContact CA-O 3.19Å; L36-L68 HydrophobicContact CB-CD1 4.38Å; L36-L68 HydrophobicContact CD1-CB 4.1Å; L36-L68 HydrophobicContact CD1-CD1 4.2Å; L36-I128 HydrophobicContact CD1-CD1 4.29Å; L36-I128 HydrophobicContact CD2-CD1 4.05Å; L36-I128 HydrophobicContact CD2-CG1 4.42Å
37Y96.2Very high79Confident10 Ų1055.5 Ų55.54%0.03933%0.331CS..EExtended strand (participates in β ladder)trans-119.8136.2175.7-60.2-95.5000109.7H21 T50 I51 Q52 F66 I67 M104 F105H21-Y37 PolarHBondContact CE1-OH 3.33Å; H21-Y37 AromaticContact ND1-CE1 3.91Å; H21-Y37 PolarHBondContact ND1-OH 2.76Å; Y37-T50 HydrophobicContact CD1-CG2 4.3Å; Y37-T50 HydrophobicContact CG-CG2 4.46Å; Y37-I51 WeakPolarHBondContact CA-O 3.38Å; Y37-Q52 HydrophobicContact CD1-CB 3.77Å; Y37-Q52 HydrophobicContact CD1-CG 4.25Å; Y37-Q52 HydrophobicContact CE1-CB 3.56Å; Y37-Q52 HydrophobicContact CE1-CG 3.84Å; Y37-F66 CarbonylContact O-C 3.5Å; Y37-F66 WeakPolarHBondContact O-CA 3.33Å; Y37-I67 HydrophobicContact CD2-CB 4.48Å; Y37-I67 PolarHBondContact N-O 3.21Å; Y37-I67 PolarHBondContact O-N 3.29Å; Y37-M104 HydrophobicContact CD1-CE 4.17Å; Y37-M104 HydrophobicContact CE1-CE 3.45Å; Y37-M104 VanDerWaalsContact CE1-CE 3.45Å; Y37-M104 HydrophobicContact CE1-SD 4.42Å; Y37-M104 HydrophobicContact CE2-CE 3.89Å; Y37-M104 WeakPolarHBondContact OH-CE 3.22Å; Y37-F105 HydrophobicContact CE2-CZ 4.21Å
38H96.1Very high80.6Confident16 Ų1649.5 Ų49.57%0.07430%0.303CS..EExtended strand (participates in β ladder)trans-111.6123.9177.5176.6-163.4000109.7T50 I51 I53 F64 F66 H268H38-T50 WeakPolarHBondContact O-CA 3.32Å; H38-I51 PolarHBondContact N-O 2.96Å; H38-I51 PolarHBondContact O-N 3.18Å; H38-I53 HydrophobicContact CB-CD1 3.84Å; H38-I53 HydrophobicContact CB-CG1 4.18Å; H38-I53 HydrophobicContact CB-CG2 4.15Å; H38-F64 AromaticContact CE1-CD2 3.78Å; H38-F64 WeakPolarHBondContact NE2-CB 3.43Å; H38-F64 AromaticContact NE2-CD2 3.21Å; H38-F64 WeakPolarHBondContact NE2-CD2 3.45Å; H38-F64 AromaticContact NE2-CG 3.33Å; H38-F64 VanDerWaalsContact NE2-CG 3.33Å; H38-F64 WeakPolarHBondContact NE2-CG 3.09Å; H38-F66 HydrophobicContact CB-CD1 3.83Å; H38-F66 HydrophobicContact CB-CE1 3.64Å; H38-F66 AromaticContact CD2-CE1 3.53Å; H38-F66 AromaticContact CD2-CZ 3.62Å; H38-F66 AromaticContact CG-CE1 3.52Å; H38-F66 AromaticContact NE2-CZ 3.91Å; H38-H268 AromaticContact CG-NE2 3.76Å; H38-H268 AromaticContact ND1-CD2 3.56Å; H38-H268 AromaticContact ND1-NE2 3.63Å; H38-H268 PolarHBondContact O-NE2 3.41Å
39I95.2Very high82.8Confident0 Ų042.9 Ų42.90%027%0.268CS..EExtended strand (participates in β ladder)trans-97.4122.4176.7-57.2163.4000107.9T48 R49 T50 C65 I67 A97 I100I39-T48 HydrophobicContact CG2-CG2 4.18Å; I39-R49 WeakPolarHBondContact CA-O 3.25Å; I39-T50 HydrophobicContact CG1-CG2 3.92Å; I39-C65 HydrophobicContact CD1-CB 4.36Å; I39-C65 PolarHBondContact N-O 3.49Å; I39-C65 VanDerWaalsContact N-O 3.07Å; I39-I67 HydrophobicContact CD1-CD1 3.93Å; I39-I67 HydrophobicContact CD1-CG1 4.1Å; I39-A97 VanDerWaalsContact CD1-CA 3.45Å; I39-A97 HydrophobicContact CD1-CB 3.24Å; I39-I100 HydrophobicContact CD1-CD1 4.39Å
40R93.1Very high84.7Confident7 Ų738 Ų383%0.02624%0.238CC..EExtended strand (participates in β ladder)trans-144.3137.9-179.5-176.7172.6160.3176.1-4.9111N42 R49 F64 M141 R265 C266R40-N42 PolarHBondContact NE-OD1 2.85Å; R40-N42 PolarHBondContact NH2-OD1 3.46Å; R40-R49 PolarHBondContact N-O 2.72Å; R40-R49 PolarHBondContact O-N 3.46Å; R40-F64 HydrophobicContact CG-CE1 4.22Å; R40-M141 HydrophobicContact CG-CE 4.06Å; R40-M141 HydrophobicContact CG-SD 4.28Å; R40-M141 VanDerWaalsContact CZ-SD 3.55Å; R40-M141 PolarHBondContact NE-SD 2.85Å; R40-R265 PolarHBondContact NH1-O 2.89Å; R40-C266 PolarHBondContact NH2-O 3.25Å
41T90.3Very high86.8Confident23 Ų2331.8 Ų31.814%0.14120%0.204CC..EExtended strand (participates in β ladder)trans-107.8114.2172.8-53.50000110.1S44 T48 E93 M141T41-S44 VanDerWaalsContact CG2-O 3.25Å; T41-S44 WeakPolarHBondContact CG2-O 3.41Å; T41-T48 WeakPolarHBondContact OG1-CG2 3.44Å; T41-T48 PolarHBondContact OG1-OG1 3.3Å; T41-E93 WeakPolarHBondContact CB-OE1 3.35Å; T41-E93 PolarHBondContact OG1-OE1 3.49Å; T41-M141 VanDerWaalsContact O-CE 3.31Å; T41-M141 WeakPolarHBondContact O-CE 3.42Å
42N84.3Confident88.6Confident7 Ų730.2 Ų30.24%0.03719%0.19CC..  trans-96.2106.4174.4-68.8-31.8000110.8R40 S44 C47 M141 D164R40-N42 PolarHBondContact NE-OD1 2.85Å; R40-N42 PolarHBondContact NH2-OD1 3.46Å; N42-S44 PolarHBondContact O-N 3.02Å; N42-C47 VanDerWaalsContact O-CB 3.29Å; N42-C47 WeakPolarHBondContact O-CB 3.13Å; N42-M141 WeakPolarHBondContact OD1-CE 3.37Å; N42-D164 HydrophobicContact CB-CB 4.08Å; N42-D164 WeakPolarHBondContact CB-OD1 3.19Å; N42-D164 PolarHBondContact ND2-OD1 2.9Å
43G80.9Confident89.6Confident72 Ų7227 Ų2774%0.74217%0.17SC*.SBendtrans76.3-83.8175.800000113.2
44S82.7Confident90Very high60 Ų6022.6 Ų22.642%0.4216%0.159SC..SBendtrans-97.1147.9-178.8-176.90000111.6T41 N42 L46 C47T41-S44 VanDerWaalsContact CG2-O 3.25Å; T41-S44 WeakPolarHBondContact CG2-O 3.41Å; N42-S44 PolarHBondContact O-N 3.02Å; S44-L46 PolarHBondContact O-N 3.22Å; S44-L46 PolarHBondContact OG-N 3.44Å; S44-C47 WeakPolarHBondContact O-CA 3.23Å; S44-C47 WeakPolarHBondContact O-CB 3.24Å; S44-C47 PolarHBondContact O-N 3.33Å
45A81Confident90.1Very high46 Ų4623.1 Ų23.138%0.3816%0.161SC..G310 helixtrans-52.5-28.4171.600000113.2R16 C47 T48R16-A45 WeakPolarHBondContact CG-O 3.32Å; A45-C47 PolarHBondContact O-N 2.96Å; A45-T48 WeakPolarHBondContact O-CB 3.49Å; A45-T48 PolarHBondContact O-N 3.23Å; A45-T48 PolarHBondContact O-OG1 2.89Å
46L82.3Confident90Very high79 Ų7924.3 Ų24.341%0.41417%0.166SC..G310 helixtrans-66.4-21.5175.6-65.6177.1000113.6L8 L11 S44 T48L8-L46 HydrophobicContact CD2-CB 4.43Å; L11-L46 WeakPolarHBondContact CB-O 3.48Å; S44-L46 PolarHBondContact O-N 3.22Å; S44-L46 PolarHBondContact OG-N 3.44Å; L46-T48 VanDerWaalsContact C-N 3.31Å
47C83Confident89.9Confident9 Ų924.3 Ų24.36%0.06117%0.166CC..G310 helixtrans-93.818.2177.5-56.90000112.5L8 N42 S44 A45 R49 D164L8-C47 WeakPolarHBondContact CD2-SG 3.44Å; N42-C47 VanDerWaalsContact O-CB 3.29Å; N42-C47 WeakPolarHBondContact O-CB 3.13Å; S44-C47 WeakPolarHBondContact O-CA 3.23Å; S44-C47 WeakPolarHBondContact O-CB 3.24Å; S44-C47 PolarHBondContact O-N 3.33Å; A45-C47 PolarHBondContact O-N 2.96Å; C47-R49 PolarHBondContact O-N 3.29Å; C47-R49 PolarHBondContact O-NH1 3.47Å; C47-D164 HydrophobicContact CB-CB 4.35Å
48T90.7Very high89.7Confident1 Ų126 Ų261%0.00618%0.18CC..EExtended strand (participates in β ladder)trans-68.1125.1173.2-46.90000109.4R16 I39 T41 A45 L46 L96R16-T48 PolarHBondContact NE-OG1 2.88Å; I39-T48 HydrophobicContact CG2-CG2 4.18Å; T41-T48 WeakPolarHBondContact OG1-CG2 3.44Å; T41-T48 PolarHBondContact OG1-OG1 3.3Å; A45-T48 WeakPolarHBondContact O-CB 3.49Å; A45-T48 PolarHBondContact O-N 3.23Å; A45-T48 PolarHBondContact O-OG1 2.89Å; L46-T48 VanDerWaalsContact C-N 3.31Å; T48-L96 HydrophobicContact CG2-CD2 3.68Å
49R91.8Very high89.6Confident1 Ų128.5 Ų28.50%0.00419%0.194CC..EExtended strand (participates in β ladder)trans-127.4147.2174.4-64.1-172-17573.6-6.5111.1Q4 E6 F18 I39 R40 C47 I51 D164 H268Q4-R49 PolarHBondContact O-NH2 3.43Å; E6-R49 IonicContact OE2-NE 3.75Å; E6-R49 IonicContact OE2-NH2 3.99Å; F18-R49 HydrophobicContact CD1-CG 4.16Å; I39-R49 WeakPolarHBondContact CA-O 3.25Å; R40-R49 PolarHBondContact N-O 2.72Å; R40-R49 PolarHBondContact O-N 3.46Å; C47-R49 PolarHBondContact O-N 3.29Å; C47-R49 PolarHBondContact O-NH1 3.47Å; R49-I51 HydrophobicContact CB-CD1 4.21Å; R49-I51 HydrophobicContact CB-CG1 3.97Å; R49-D164 IonicContact CZ-OD1 3.12Å; R49-D164 IonicContact CZ-OD2 2.8Å; R49-D164 IonicContact NH1-OD1 2.68Å; R49-D164 PolarHBondContact NH1-OD1 2.92Å; R49-D164 IonicContact NH1-OD2 3.26Å; R49-D164 PolarHBondContact NH1-OD2 3.4Å; R49-D164 IonicContact NH2-OD2 2.7Å; R49-D164 PolarHBondContact NH2-OD2 3.42Å; R49-H268 PolarHBondContact O-CE1 2.66Å
50T94.7Very high89.6Confident0 Ų028.7 Ų28.70%019%0.194CC..EExtended strand (participates in β ladder)trans-111.4111.2167.6-560000107.8F18 I19 I20 Y37 H38 I39 I100F18-T50 PolarHBondContact O-N 3.32Å; I19-T50 CarbonylContact C-O 3.26Å; I19-T50 WeakPolarHBondContact CA-O 3.43Å; I20-T50 PolarHBondContact N-O 3.22Å; Y37-T50 HydrophobicContact CD1-CG2 4.3Å; Y37-T50 HydrophobicContact CG-CG2 4.46Å; H38-T50 WeakPolarHBondContact O-CA 3.32Å; I39-T50 HydrophobicContact CG1-CG2 3.92Å; T50-I100 HydrophobicContact CG2-CG2 4.25Å; T50-I100 WeakPolarHBondContact OG1-CD1 3.35Å
51I93.5Very high89.7Confident5 Ų528.7 Ų28.73%0.02620%0.195CC..EExtended strand (participates in β ladder)trans-119.1130.6-174.7-51.5-175.5000109.5Q4 I20 Y37 H38 R49 I53 H268 A269Q4-I51 VanDerWaalsContact CD-CD1 3.49Å; Q4-I51 HydrophobicContact CG-CD1 3.93Å; I20-I51 HydrophobicContact CB-CB 4.47Å; I20-I51 HydrophobicContact CB-CG1 4.16Å; I20-I51 HydrophobicContact CB-CG2 4.22Å; I20-I51 HydrophobicContact CD1-CD1 4.09Å; I20-I51 HydrophobicContact CD1-CG1 4.06Å; I20-I51 HydrophobicContact CG1-CG1 4.34Å; I20-I51 HydrophobicContact CG2-CG2 4.37Å; Y37-I51 WeakPolarHBondContact CA-O 3.38Å; H38-I51 PolarHBondContact N-O 2.96Å; H38-I51 PolarHBondContact O-N 3.18Å; R49-I51 HydrophobicContact CB-CD1 4.21Å; R49-I51 HydrophobicContact CB-CG1 3.97Å; I51-I53 PolarHBondContact O-N 3.02Å; I51-H268 HydrophobicContact CD1-CB 4.45Å; I51-H268 WeakPolarHBondContact CD1-ND1 3.12Å; I51-A269 HydrophobicContact CB-CB 3.85Å; I51-A269 HydrophobicContact CD1-CB 4.08Å; I51-A269 HydrophobicContact CG2-CB 3.4Å
52Q93.4Very high90Very high30 Ų3027.6 Ų27.614%0.1419%0.188CC..EExtended strand (participates in β ladder)trans-64.9124.7170.3-166.5177.8-0.400109.4I20 K22 S35 L36 Y37I20-Q52 PolarHBondContact O-N 3.23Å; K22-Q52 HydrophobicContact CB-CB 4.4Å; K22-Q52 HydrophobicContact CB-CG 4.46Å; K22-Q52 WeakPolarHBondContact CD-O 3.27Å; K22-Q52 WeakPolarHBondContact CE-O 3.31Å; K22-Q52 HydrophobicContact CG-CB 4.4Å; K22-Q52 VanDerWaalsContact CG-O 3.25Å; K22-Q52 WeakPolarHBondContact CG-O 3.34Å; S35-Q52 PolarHBondContact OG-NE2 3.04Å; L36-Q52 CarbonylContact O-C 3.55Å; L36-Q52 WeakPolarHBondContact O-CA 3.48Å; Y37-Q52 HydrophobicContact CD1-CB 3.77Å; Y37-Q52 HydrophobicContact CD1-CG 4.25Å; Y37-Q52 HydrophobicContact CE1-CB 3.56Å; Y37-Q52 HydrophobicContact CE1-CG 3.84Å
53I92.8Very high90.5Very high14 Ų1430.9 Ų30.97%0.07220%0.204CC..EExtended strand (participates in β ladder)trans-115.3179.2-18054.7161.9000110.6L36 H38 I51 T55 N59 F66 A269L36-I53 HydrophobicContact CB-CG1 4.15Å; L36-I53 HydrophobicContact CD2-CD1 3.6Å; L36-I53 HydrophobicContact CD2-CG1 3.92Å; L36-I53 HydrophobicContact CG-CD1 3.95Å; L36-I53 HydrophobicContact CG-CG1 3.85Å; L36-I53 PolarHBondContact O-N 3.18Å; H38-I53 HydrophobicContact CB-CD1 3.84Å; H38-I53 HydrophobicContact CB-CG1 4.18Å; H38-I53 HydrophobicContact CB-CG2 4.15Å; I51-I53 PolarHBondContact O-N 3.02Å; I53-T55 PolarHBondContact O-N 3.49Å; I53-N59 HydrophobicContact CD1-CB 3.67Å; I53-F66 HydrophobicContact CD1-CD1 4.23Å; I53-F66 HydrophobicContact CD1-CE1 3.99Å; I53-A269 HydrophobicContact CG2-CB 3.57Å
54G90.6Very high91.3Very high35 Ų3528 Ų2836%0.36117%0.171SC..  trans-65.3134.6172.300000109.6D56 N59G54-D56 VanDerWaalsContact C-N 3.29Å; G54-D56 PolarHBondContact O-N 3.35Å; G54-N59 PolarHBondContact O-ND2 3.42Å
55T91.7Very high92Very high50 Ų5025.2 Ų25.231%0.30715%0.151SC..SBendtrans-75.285.6176.5-50.20000109.1P34 L36 I53 L68 I128P34-T55 HydrophobicContact CB-CG2 3.98Å; P34-T55 PolarHBondContact O-OG1 3Å; L36-T55 HydrophobicContact CB-CG2 4.36Å; L36-T55 PolarHBondContact N-OG1 3.07Å; I53-T55 PolarHBondContact O-N 3.49Å; T55-L68 HydrophobicContact CG2-CD1 4.01Å; T55-I128 HydrophobicContact CG2-CG1 4.13Å
56D91.6Very high92.8Very high45 Ų4523 Ų2324%0.24113%0.133CC..  trans-147.1136.4177.1-161.3-39.7000108.3G54 S58 N59 K132G54-D56 VanDerWaalsContact C-N 3.29Å; G54-D56 PolarHBondContact O-N 3.35Å; D56-S58 PolarHBondContact O-N 3.48Å; D56-S58 PolarHBondContact OD1-N 3.38Å; D56-S58 PolarHBondContact OD1-OG 3.25Å; D56-N59 WeakPolarHBondContact O-CB 3.44Å; D56-N59 PolarHBondContact O-N 3.37Å; D56-K132 WeakPolarHBondContact OD1-CD 3.35Å; D56-K132 WeakPolarHBondContact OD1-CE 3.14Å; D56-K132 IonicContact OD1-NZ 2.95Å; D56-K132 PolarHBondContact OD1-NZ 2.84Å; D56-K132 IonicContact OD2-NZ 3.7Å; D56-K132 PolarHBondContact OD2-NZ 3.39Å
57S92.3Very high93.5Very high0 Ų019.2 Ų19.20%011%0.113CC..G310 helixtrans-66.4-24.1-18053.50000113.2N59 L60 S130 K132S57-N59 PolarHBondContact O-N 3.17Å; S57-N59 VanDerWaalsContact O-N 3.08Å; S57-L60 WeakPolarHBondContact O-CB 3.45Å; S57-L60 WeakPolarHBondContact O-CG 3.5Å; S57-L60 PolarHBondContact O-N 3.01Å; S57-S130 WeakPolarHBondContact CB-O 3.39Å; S57-S130 PolarHBondContact OG-O 3.38Å; S57-K132 WeakPolarHBondContact OG-CB 3.32Å; S57-K132 WeakPolarHBondContact OG-CG 3.09Å; S57-K132 PolarHBondContact OG-N 2.7Å; S57-K132 VanDerWaalsContact OG-N 3.16Å
58S92.5Very high94.1Very high46 Ų4618.9 Ų18.932%0.32211%0.11SC..G310 helixtrans-63.6-14.717568.60000113.4D56D56-S58 PolarHBondContact O-N 3.48Å; D56-S58 PolarHBondContact OD1-N 3.38Å; D56-S58 PolarHBondContact OD1-OG 3.25Å
59N92.8Very high94.2Very high69 Ų6921 Ų2137%0.36912%0.12SC..G310 helixtrans-87.1-8.1176.3-63.7-42.4000113.5I53 G54 D56 S57 F66I53-N59 HydrophobicContact CD1-CB 3.67Å; G54-N59 PolarHBondContact O-ND2 3.42Å; D56-N59 WeakPolarHBondContact O-CB 3.44Å; D56-N59 PolarHBondContact O-N 3.37Å; S57-N59 PolarHBondContact O-N 3.17Å; S57-N59 VanDerWaalsContact O-N 3.08Å; N59-F66 WeakPolarHBondContact O-CE1 3.14Å; N59-F66 WeakPolarHBondContact O-CZ 3.32Å
60L95.1Very high94.2Very high3 Ų321.6 Ų21.62%0.01612%0.123CC..  trans-65158.4175-65.5177.2000110.4S57 F66 W84 F124 W125 I128 Y134S57-L60 WeakPolarHBondContact O-CB 3.45Å; S57-L60 WeakPolarHBondContact O-CG 3.5Å; S57-L60 PolarHBondContact O-N 3.01Å; L60-F66 HydrophobicContact CD2-CB 4.11Å; L60-F66 HydrophobicContact CD2-CD1 3.99Å; L60-F66 HydrophobicContact CD2-CD2 3.8Å; L60-F66 HydrophobicContact CD2-CE1 4.35Å; L60-F66 HydrophobicContact CD2-CE2 4.18Å; L60-F66 HydrophobicContact CD2-CG 3.7Å; L60-F66 HydrophobicContact CD2-CZ 4.45Å; L60-W84 HydrophobicContact CB-CH2 4.48Å; L60-W84 HydrophobicContact CD1-CZ2 4.48Å; L60-W84 HydrophobicContact CD2-CD2 4.45Å; L60-W84 HydrophobicContact CD2-CE3 4.39Å; L60-F124 HydrophobicContact CD1-CE1 4.38Å; L60-F124 HydrophobicContact CD1-CZ 4.39Å; L60-W125 HydrophobicContact CD1-CH2 4.28Å; L60-W125 HydrophobicContact CD1-CZ3 4.2Å; L60-I128 HydrophobicContact CD1-CD1 4.03Å; L60-I128 HydrophobicContact CD2-CD1 4.15Å; L60-I128 HydrophobicContact CG-CD1 4.1Å; L60-Y134 HydrophobicContact CB-CD1 4.16Å; L60-Y134 HydrophobicContact CB-CD2 4.14Å; L60-Y134 HydrophobicContact CB-CG 3.87Å; L60-Y134 HydrophobicContact CD1-CD1 4.46Å; L60-Y134 WeakPolarHBondContact O-CB 3.39Å
61N95.9Very high93.9Very high7 Ų722.6 Ų22.64%0.03713%0.13CC..BIsolated β-bridgetrans-154.7132.8172.5-176.5-60.5000110.3E63 F64 F66 W84 D135 D137N61-E63 PolarHBondContact O-N 3.47Å; N61-E63 VanDerWaalsContact O-N 3.09Å; N61-E63 WeakPolarHBondContact OD1-CB 3.35Å; N61-E63 PolarHBondContact OD1-N 3.11Å; N61-F64 HydrophobicContact CB-CD2 3.71Å; N61-F64 HydrophobicContact CB-CE2 4.17Å; N61-F64 PolarHBondContact O-N 3.39Å; N61-F64 VanDerWaalsContact O-N 3.1Å; N61-F66 HydrophobicContact CB-CE2 4.5Å; N61-F66 HydrophobicContact CB-CZ 4.38Å; N61-W84 WeakPolarHBondContact O-CZ3 3.46Å; N61-D135 WeakPolarHBondContact CA-O 3.17Å; N61-D135 VanDerWaalsContact ND2-CB 3.29Å; N61-D135 WeakPolarHBondContact ND2-CB 3.47Å; N61-D137 PolarHBondContact ND2-O 3.2Å
62S96.5Very high93.5Very high0 Ų025.5 Ų25.50%014%0.142CC..THydrogen-bonded Turntrans-59.9-19.6-175.9-59.40000115.3G86 R87 A88 A89 E116 D135S62-G86 CarbonylContact O-C 3.59Å; S62-G86 WeakPolarHBondContact O-CA 3.23Å; S62-R87 PolarHBondContact O-N 3.39Å; S62-R87 PolarHBondContact OG-NH1 3.49Å; S62-A88 CarbonylContact O-C 3.56Å; S62-A88 WeakPolarHBondContact O-CA 3.21Å; S62-A88 WeakPolarHBondContact O-CB 3.2Å; S62-A88 PolarHBondContact O-N 2.92Å; S62-A89 PolarHBondContact O-N 3.49Å; S62-E116 VanDerWaalsContact CA-OE2 3.31Å; S62-E116 WeakPolarHBondContact CA-OE2 3.42Å; S62-E116 WeakPolarHBondContact CB-OE2 3.45Å; S62-E116 VanDerWaalsContact OG-CD 3.28Å; S62-E116 PolarHBondContact OG-OE1 3.02Å; S62-E116 PolarHBondContact OG-OE2 2.69Å; S62-D135 PolarHBondContact N-O 3.48Å
63E95.6Very high92.4Very high77 Ų7733.1 Ų33.136%0.3618%0.178SC..THydrogen-bonded Turntrans-91.9-3.6-179.8-68.1-98.717400113.4N61 A88 A89 A138N61-E63 PolarHBondContact O-N 3.47Å; N61-E63 VanDerWaalsContact O-N 3.09Å; N61-E63 WeakPolarHBondContact OD1-CB 3.35Å; N61-E63 PolarHBondContact OD1-N 3.11Å; E63-A88 HydrophobicContact CG-CB 3.92Å; E63-A89 WeakPolarHBondContact O-CA 3.18Å; E63-A138 HydrophobicContact CB-CB 3.58Å; E63-A138 HydrophobicContact CG-CB 3.78Å
64F96.7Very high91.3Very high12 Ų1235.3 Ų35.35%0.05319%0.194CC..SBendtrans-123.7169.1-177.3-54.9-54.1000113.1H38 R40 N61 F66 W84 G86 A138 M141H38-F64 AromaticContact CE1-CD2 3.78Å; H38-F64 WeakPolarHBondContact NE2-CB 3.43Å; H38-F64 AromaticContact NE2-CD2 3.21Å; H38-F64 WeakPolarHBondContact NE2-CD2 3.45Å; H38-F64 AromaticContact NE2-CG 3.33Å; H38-F64 VanDerWaalsContact NE2-CG 3.33Å; H38-F64 WeakPolarHBondContact NE2-CG 3.09Å; R40-F64 HydrophobicContact CG-CE1 4.22Å; N61-F64 HydrophobicContact CB-CD2 3.71Å; N61-F64 HydrophobicContact CB-CE2 4.17Å; N61-F64 PolarHBondContact O-N 3.39Å; N61-F64 VanDerWaalsContact O-N 3.1Å; F64-F66 HydrophobicContact CB-CE2 3.81Å; F64-F66 HydrophobicContact CB-CZ 4.23Å; F64-W84 WeakPolarHBondContact O-CZ3 3.18Å; F64-G86 PolarHBondContact O-N 2.83Å; F64-G86 VanDerWaalsContact O-N 3.15Å; F64-A138 HydrophobicContact CE1-CB 4.18Å; F64-A138 HydrophobicContact CE2-CB 4.12Å; F64-A138 HydrophobicContact CZ-CB 3.52Å; F64-M141 HydrophobicContact CE1-SD 3.65Å; F64-M141 HydrophobicContact CE2-SD 4.47Å; F64-M141 HydrophobicContact CZ-SD 3.32Å; F64-M141 WeakPolarHBondContact CZ-SD 3.32Å
65C97.4Very high90Very high0 Ų040.1 Ų40.10%022%0.217CC..EExtended strand (participates in β ladder)trans-107.4143.7172.8-63.70000110.9I39 W84 A94 A97I39-C65 HydrophobicContact CD1-CB 4.36Å; I39-C65 PolarHBondContact N-O 3.49Å; I39-C65 VanDerWaalsContact N-O 3.07Å; C65-W84 WeakPolarHBondContact CA-O 3.37Å; C65-A94 VanDerWaalsContact SG-CA 3.6Å; C65-A97 HydrophobicContact CB-CB 3.69Å
66F97.4Very high88.9Confident0 Ų045.1 Ų45.10%024%0.242CC..EExtended strand (participates in β ladder)trans-130.3149.6-179.3-63.3-100000110.6L36 Y37 H38 I53 N59 L60 N61 F64 T83 W84L36-F66 HydrophobicContact CD1-CB 4.05Å; L36-F66 HydrophobicContact CD1-CD1 4.31Å; L36-F66 HydrophobicContact CG-CD1 4.42Å; Y37-F66 CarbonylContact O-C 3.5Å; Y37-F66 WeakPolarHBondContact O-CA 3.33Å; H38-F66 HydrophobicContact CB-CD1 3.83Å; H38-F66 HydrophobicContact CB-CE1 3.64Å; H38-F66 AromaticContact CD2-CE1 3.53Å; H38-F66 AromaticContact CD2-CZ 3.62Å; H38-F66 AromaticContact CG-CE1 3.52Å; H38-F66 AromaticContact NE2-CZ 3.91Å; I53-F66 HydrophobicContact CD1-CD1 4.23Å; I53-F66 HydrophobicContact CD1-CE1 3.99Å; N59-F66 WeakPolarHBondContact O-CE1 3.14Å; N59-F66 WeakPolarHBondContact O-CZ 3.32Å; L60-F66 HydrophobicContact CD2-CB 4.11Å; L60-F66 HydrophobicContact CD2-CD1 3.99Å; L60-F66 HydrophobicContact CD2-CD2 3.8Å; L60-F66 HydrophobicContact CD2-CE1 4.35Å; L60-F66 HydrophobicContact CD2-CE2 4.18Å; L60-F66 HydrophobicContact CD2-CG 3.7Å; L60-F66 HydrophobicContact CD2-CZ 4.45Å; N61-F66 HydrophobicContact CB-CE2 4.5Å; N61-F66 HydrophobicContact CB-CZ 4.38Å; F64-F66 HydrophobicContact CB-CE2 3.81Å; F64-F66 HydrophobicContact CB-CZ 4.23Å; F66-T83 CarbonylContact O-C 3.02Å; F66-T83 WeakPolarHBondContact O-CA 3.34Å; F66-W84 HydrophobicContact CB-CB 4.45Å; F66-W84 AromaticContact CD2-CE3 3.57Å; F66-W84 HydrophobicContact CD2-CE3 3.57Å; F66-W84 AromaticContact CD2-CZ3 3.7Å; F66-W84 HydrophobicContact CD2-CZ3 3.7Å; F66-W84 HydrophobicContact CE2-CE3 4.27Å; F66-W84 AromaticContact CE2-CZ3 3.92Å; F66-W84 HydrophobicContact CE2-CZ3 3.92Å; F66-W84 HydrophobicContact CG-CE3 4.46Å; F66-W84 PolarHBondContact N-O 2.86Å; F66-W84 PolarHBondContact O-N 3.01Å
67I97Very high88Confident0 Ų045.1 Ų45.10%024%0.242CC..EExtended strand (participates in β ladder)trans-116.7119171.4-57.3168.7000108.2L36 Y37 I39 V81 Y82 I100 M101 F105L36-I67 CarbonylContact C-O 3.54Å; L36-I67 WeakPolarHBondContact CA-O 3.19Å; Y37-I67 HydrophobicContact CD2-CB 4.48Å; Y37-I67 PolarHBondContact N-O 3.21Å; Y37-I67 PolarHBondContact O-N 3.29Å; I39-I67 HydrophobicContact CD1-CD1 3.93Å; I39-I67 HydrophobicContact CD1-CG1 4.1Å; I67-V81 HydrophobicContact CG2-CG1 3.5Å; I67-Y82 CarbonylContact C-O 3.57Å; I67-Y82 VanDerWaalsContact CA-O 3.26Å; I67-Y82 WeakPolarHBondContact CA-O 3.41Å; I67-I100 HydrophobicContact CD1-CB 4.22Å; I67-I100 HydrophobicContact CD1-CG2 3.77Å; I67-M101 HydrophobicContact CD1-CB 4.05Å; I67-M101 HydrophobicContact CG1-CB 4.49Å; I67-F105 HydrophobicContact CG2-CE2 3.92Å
68L95.8Very high87.5Confident1 Ų149.1 Ų49.11%0.00526%0.26CS..EExtended strand (participates in β ladder)trans-108.4114.2176.6177.468.7000109.5L36 T55 V70 V81 Y82 F124 I128L36-L68 HydrophobicContact CB-CD1 4.38Å; L36-L68 HydrophobicContact CD1-CB 4.1Å; L36-L68 HydrophobicContact CD1-CD1 4.2Å; T55-L68 HydrophobicContact CG2-CD1 4.01Å; L68-V70 HydrophobicContact CD1-CG2 4.48Å; L68-V70 HydrophobicContact CD2-CG2 3.77Å; L68-V70 HydrophobicContact CG-CG2 3.78Å; L68-V81 CarbonylContact O-C 3.52Å; L68-V81 WeakPolarHBondContact O-CA 3.46Å; L68-Y82 HydrophobicContact CD2-CD2 4.28Å; L68-Y82 PolarHBondContact N-O 2.69Å; L68-Y82 PolarHBondContact O-N 3.29Å; L68-F124 HydrophobicContact CB-CE2 4.21Å; L68-F124 HydrophobicContact CD2-CD2 3.55Å; L68-F124 HydrophobicContact CD2-CE2 3.6Å; L68-F124 HydrophobicContact CD2-CG 4.26Å; L68-F124 HydrophobicContact CD2-CZ 4.36Å; L68-I128 HydrophobicContact CD1-CB 4.38Å; L68-I128 HydrophobicContact CD1-CG1 4.39Å; L68-I128 HydrophobicContact CD2-CB 4.07Å
69K93.4Very high87.3Confident47 Ų4746.9 Ų46.920%0.20425%0.245CC..EExtended strand (participates in β ladder)trans-88.6118.8168.6-178-165.2-174.3-177.80109P34 S35 V81 F105 Y109P34-K69 CarbonylContact C-O 3.49Å; P34-K69 WeakPolarHBondContact CA-O 3.29Å; S35-K69 PolarHBondContact N-O 3.05Å; S35-K69 PolarHBondContact O-N 2.99Å; K69-V81 HydrophobicContact CB-CG2 4.41Å; K69-V81 HydrophobicContact CG-CG2 4.2Å; K69-F105 HydrophobicContact CB-CE1 4.36Å; K69-F105 HydrophobicContact CB-CZ 4.19Å; K69-F105 HydrophobicContact CD-CE1 3.82Å; K69-F105 HydrophobicContact CD-CZ 4.41Å; K69-F105 HydrophobicContact CG-CE1 4.15Å; K69-F105 HydrophobicContact CG-CZ 4.48Å; K69-Y109 HydrophobicContact CD-CE1 4.49Å; K69-Y109 VanDerWaalsContact CE-CZ 3.44Å; K69-Y109 VanDerWaalsContact CE-OH 3.24Å; K69-Y109 WeakPolarHBondContact CE-OH 3.39Å; K69-Y109 HydrophobicContact CG-CE1 4.37Å; K69-Y109 PolarHBondContact NZ-OH 2.89Å
70V91.4Very high87.3Confident13 Ų1344.6 Ų44.68%0.07923%0.232CC..EExtended strand (participates in β ladder)trans-11398.7172.1-173.50000108.5L68 F72 G79 I80 Y82L68-V70 HydrophobicContact CD1-CG2 4.48Å; L68-V70 HydrophobicContact CD2-CG2 3.77Å; L68-V70 HydrophobicContact CG-CG2 3.78Å; V70-F72 HydrophobicContact CG1-CE1 4.33Å; V70-G79 CarbonylContact O-C 3.49Å; V70-G79 VanDerWaalsContact O-CA 3.26Å; V70-G79 WeakPolarHBondContact O-CA 3.3Å; V70-I80 HydrophobicContact CB-CG2 3.88Å; V70-I80 PolarHBondContact N-O 2.81Å; V70-I80 PolarHBondContact O-N 2.84Å; V70-Y82 HydrophobicContact CG2-CD2 4.17Å; V70-Y82 HydrophobicContact CG2-CE2 4.06Å
71P88.6Confident87.2Confident20 Ų2044.5 Ų44.513%0.1323%0.232CC..EExtended strand (participates in β ladder)trans-77.7151.7-177.434.3-37.5000112.4V32 Q78V32-P71 HydrophobicContact CB-CG 4.46Å; V32-P71 HydrophobicContact CG1-CB 3.48Å; V32-P71 VanDerWaalsContact CG1-CB 3.48Å; V32-P71 HydrophobicContact CG1-CG 3.51Å; P71-Q78 WeakPolarHBondContact CA-O 3.44Å
72F84.8Confident87.2Confident67 Ų6744.3 Ų44.329%0.29423%0.231SC..  trans-112.2153.4173.6-59.4-27000110.6V70 S74 Q78 I80 F123V70-F72 HydrophobicContact CG1-CE1 4.33Å; F72-S74 PolarHBondContact O-N 3.06Å; F72-Q78 PolarHBondContact N-O 2.8Å; F72-I80 HydrophobicContact CE1-CG2 4.18Å; F72-I80 HydrophobicContact CZ-CB 4.18Å; F72-I80 HydrophobicContact CZ-CG2 3.71Å; F72-F123 HydrophobicContact CE1-CD1 4.43Å
73E71.3Confident87.3Confident190 Ų19044.3 Ų44.389%0.88823%0.231SC*.SBendtrans-81.411.3176.7-64.5-175171.800113.4
74S69.8Low87.4Confident59 Ų5940.7 Ų40.741%0.41321%0.214SC..  trans-88.8148.6-177.2490000113.8F72 N77F72-S74 PolarHBondContact O-N 3.06Å; S74-N77 PolarHBondContact OG-O 2.9Å
75T62Low87.4Confident136 Ų13641 Ų4183%0.83422%0.216SC*.SBendtrans-75-26.5177.951.30000114
76D68.4Low87.4Confident156 Ų15641.1 Ų41.183%0.83422%0.218SC*.SBendtrans-96-19.2-170.8-57.9-17.6000113
77N74.1Confident87.4Confident44 Ų4447.8 Ų47.824%0.23524%0.243CC..  trans-142.7119.4176.7-173.9-3.6000108.4S74 G79 T108 S110S74-N77 PolarHBondContact OG-O 2.9Å; N77-G79 PolarHBondContact O-N 3.04Å; N77-G79 PolarHBondContact OD1-N 3.17Å; N77-G79 VanDerWaalsContact OD1-N 3.14Å; N77-G79 PolarHBondContact OD1-O 2.9Å; N77-T108 PolarHBondContact OD1-O 2.64Å; N77-S110 PolarHBondContact ND2-OG 3.45Å
78Q81.4Confident87.3Confident84 Ų8449.8 Ų49.839%0.39326%0.259SS..  trans-76.2-12.4-177-65.5-167.1800112.8P71 F72 T108 Y109P71-Q78 WeakPolarHBondContact CA-O 3.44Å; F72-Q78 PolarHBondContact N-O 2.8Å; Q78-T108 WeakPolarHBondContact CG-OG1 3.27Å; Q78-T108 PolarHBondContact N-O 3.16Å; Q78-T108 PolarHBondContact OE1-OG1 2.86Å; Q78-Y109 HydrophobicContact CB-CD1 4.08Å; Q78-Y109 HydrophobicContact CB-CD2 4.25Å; Q78-Y109 HydrophobicContact CB-CE1 3.59Å; Q78-Y109 HydrophobicContact CB-CE2 3.77Å; Q78-Y109 HydrophobicContact CB-CG 4.38Å; Q78-Y109 VanDerWaalsContact CB-CZ 3.41Å; Q78-Y109 HydrophobicContact CG-CE2 4.45Å; Q78-Y109 WeakPolarHBondContact O-CE1 3.44Å; Q78-Y109 VanDerWaalsContact OE1-CZ 3.22Å; Q78-Y109 PolarHBondContact OE1-OH 3.04Å
79G88.3Confident87.3Confident0 Ų050.5 Ų50.50%027%0.266CS..EExtended strand (participates in β ladder)trans146.6-171.1179.800000113.7V70 N77 Y109 S110V70-G79 CarbonylContact O-C 3.49Å; V70-G79 VanDerWaalsContact O-CA 3.26Å; V70-G79 WeakPolarHBondContact O-CA 3.3Å; N77-G79 PolarHBondContact O-N 3.04Å; N77-G79 PolarHBondContact OD1-N 3.17Å; N77-G79 VanDerWaalsContact OD1-N 3.14Å; N77-G79 PolarHBondContact OD1-O 2.9Å; G79-Y109 WeakPolarHBondContact O-CA 3.5Å; G79-S110 PolarHBondContact O-N 3.31Å
80I91.5Very high87.3Confident21 Ų2152.3 Ų52.311%0.10828%0.277CS..EExtended strand (participates in β ladder)trans-117.1140.3172-174.5154.6000110.2V70 F72 Y82 S110V70-I80 HydrophobicContact CB-CG2 3.88Å; V70-I80 PolarHBondContact N-O 2.81Å; V70-I80 PolarHBondContact O-N 2.84Å; F72-I80 HydrophobicContact CE1-CG2 4.18Å; F72-I80 HydrophobicContact CZ-CB 4.18Å; F72-I80 HydrophobicContact CZ-CG2 3.71Å; I80-Y82 HydrophobicContact CB-CE2 4.31Å; I80-Y82 HydrophobicContact CD1-CD1 4.49Å; I80-Y82 HydrophobicContact CD1-CE1 3.62Å; I80-Y82 HydrophobicContact CD1-CE2 4.26Å; I80-Y82 VanDerWaalsContact CD1-CZ 3.47Å; I80-Y82 VanDerWaalsContact CD1-OH 3.28Å; I80-Y82 WeakPolarHBondContact CD1-OH 3.05Å; I80-Y82 HydrophobicContact CG1-CD1 4.4Å; I80-Y82 HydrophobicContact CG1-CD2 4.4Å; I80-Y82 HydrophobicContact CG1-CE1 3.9Å; I80-Y82 HydrophobicContact CG1-CE2 3.91Å; I80-Y82 HydrophobicContact CG2-CD2 4.32Å; I80-Y82 HydrophobicContact CG2-CE2 3.47Å; I80-Y82 VanDerWaalsContact CG2-CE2 3.47Å; I80-S110 CarbonylContact C-O 3.54Å; I80-S110 VanDerWaalsContact CA-O 3.3Å; I80-S110 WeakPolarHBondContact CA-O 3.35Å
81V94.4Very high87.4Confident0 Ų056.5 Ų56.50%031%0.305CS..EExtended strand (participates in β ladder)trans-117.4121.4174.5-177.10000107.9I67 L68 K69 M101 F105 Y109 S110 K111 Q112I67-V81 HydrophobicContact CG2-CG1 3.5Å; L68-V81 CarbonylContact O-C 3.52Å; L68-V81 WeakPolarHBondContact O-CA 3.46Å; K69-V81 HydrophobicContact CB-CG2 4.41Å; K69-V81 HydrophobicContact CG-CG2 4.2Å; V81-M101 HydrophobicContact CG1-CG 3.79Å; V81-M101 HydrophobicContact CG1-SD 4.23Å; V81-F105 HydrophobicContact CB-CD2 4.34Å; V81-F105 HydrophobicContact CG1-CD2 3.69Å; V81-F105 HydrophobicContact CG1-CE2 3.73Å; V81-F105 HydrophobicContact CG1-CG 4.42Å; V81-F105 HydrophobicContact CG1-CZ 4.49Å; V81-F105 HydrophobicContact CG2-CB 4.31Å; V81-F105 HydrophobicContact CG2-CD1 4.1Å; V81-F105 HydrophobicContact CG2-CD2 3.95Å; V81-F105 HydrophobicContact CG2-CE1 4.46Å; V81-F105 HydrophobicContact CG2-CE2 4.3Å; V81-F105 HydrophobicContact CG2-CG 3.83Å; V81-Y109 HydrophobicContact CG2-CD1 3.89Å; V81-Y109 HydrophobicContact CG2-CG 4Å; V81-S110 PolarHBondContact N-O 2.92Å; V81-K111 WeakPolarHBondContact O-CA 3.42Å; V81-Q112 PolarHBondContact O-N 3.36Å
82Y95.8Very high87.6Confident4 Ų460.8 Ų60.82%0.01633%0.327CS..EExtended strand (participates in β ladder)trans-100.1130.3176.4-61.2-77.5000110.1I67 L68 V70 I80 Q112 I114 P120 F123 F124I67-Y82 CarbonylContact C-O 3.57Å; I67-Y82 VanDerWaalsContact CA-O 3.26Å; I67-Y82 WeakPolarHBondContact CA-O 3.41Å; L68-Y82 HydrophobicContact CD2-CD2 4.28Å; L68-Y82 PolarHBondContact N-O 2.69Å; L68-Y82 PolarHBondContact O-N 3.29Å; V70-Y82 HydrophobicContact CG2-CD2 4.17Å; V70-Y82 HydrophobicContact CG2-CE2 4.06Å; I80-Y82 HydrophobicContact CB-CE2 4.31Å; I80-Y82 HydrophobicContact CD1-CD1 4.49Å; I80-Y82 HydrophobicContact CD1-CE1 3.62Å; I80-Y82 HydrophobicContact CD1-CE2 4.26Å; I80-Y82 VanDerWaalsContact CD1-CZ 3.47Å; I80-Y82 VanDerWaalsContact CD1-OH 3.28Å; I80-Y82 WeakPolarHBondContact CD1-OH 3.05Å; I80-Y82 HydrophobicContact CG1-CD1 4.4Å; I80-Y82 HydrophobicContact CG1-CD2 4.4Å; I80-Y82 HydrophobicContact CG1-CE1 3.9Å; I80-Y82 HydrophobicContact CG1-CE2 3.91Å; I80-Y82 HydrophobicContact CG2-CD2 4.32Å; I80-Y82 HydrophobicContact CG2-CE2 3.47Å; I80-Y82 VanDerWaalsContact CG2-CE2 3.47Å; Y82-Q112 CarbonylContact C-O 3.49Å; Y82-Q112 VanDerWaalsContact CA-O 3.24Å; Y82-Q112 WeakPolarHBondContact CA-O 3.47Å; Y82-Q112 HydrophobicContact CD1-CB 4.03Å; Y82-Q112 HydrophobicContact CD1-CG 4.48Å; Y82-Q112 HydrophobicContact CE1-CB 4.24Å; Y82-I114 HydrophobicContact CD1-CD1 3.98Å; Y82-I114 HydrophobicContact CD1-CG2 3.99Å; Y82-I114 HydrophobicContact CG-CD1 4.17Å; Y82-P120 HydrophobicContact CE1-CG 3.94Å; Y82-F123 WeakPolarHBondContact OH-CB 3.16Å; Y82-F124 AromaticContact CD2-CD2 3.96Å; Y82-F124 HydrophobicContact CD2-CD2 3.96Å; Y82-F124 HydrophobicContact CG-CD2 4.01Å
83T97.5Very high88Confident0 Ų058.7 Ų58.70%032%0.318CS..EExtended strand (participates in β ladder)trans-94.2105.7157.8-64.40000107.1F66 V85 A97 M101 Q112 V113 I114F66-T83 CarbonylContact O-C 3.02Å; F66-T83 WeakPolarHBondContact O-CA 3.34Å; T83-V85 HydrophobicContact CG2-CG2 4.19Å; T83-A97 HydrophobicContact CG2-CB 3.72Å; T83-M101 WeakPolarHBondContact OG1-CB 3.48Å; T83-M101 PolarHBondContact OG1-SD 3.18Å; T83-Q112 PolarHBondContact N-O 3.23Å; T83-V113 CarbonylContact O-C 3.51Å; T83-V113 WeakPolarHBondContact O-CA 3.38Å; T83-I114 PolarHBondContact O-N 2.92Å
84W97.7Very high89.1Confident1 Ų150.7 Ų50.70%0.00428%0.284CS..EExtended strand (participates in β ladder)trans-87.7123.3174.7-176.195.6000109.2L60 N61 F64 C65 F66 I114 E116 E119 F124L60-W84 HydrophobicContact CB-CH2 4.48Å; L60-W84 HydrophobicContact CD1-CZ2 4.48Å; L60-W84 HydrophobicContact CD2-CD2 4.45Å; L60-W84 HydrophobicContact CD2-CE3 4.39Å; N61-W84 WeakPolarHBondContact O-CZ3 3.46Å; F64-W84 WeakPolarHBondContact O-CZ3 3.18Å; C65-W84 WeakPolarHBondContact CA-O 3.37Å; F66-W84 HydrophobicContact CB-CB 4.45Å; F66-W84 AromaticContact CD2-CE3 3.57Å; F66-W84 HydrophobicContact CD2-CE3 3.57Å; F66-W84 AromaticContact CD2-CZ3 3.7Å; F66-W84 HydrophobicContact CD2-CZ3 3.7Å; F66-W84 HydrophobicContact CE2-CE3 4.27Å; F66-W84 AromaticContact CE2-CZ3 3.92Å; F66-W84 HydrophobicContact CE2-CZ3 3.92Å; F66-W84 HydrophobicContact CG-CE3 4.46Å; F66-W84 PolarHBondContact N-O 2.86Å; F66-W84 PolarHBondContact O-N 3.01Å; W84-I114 WeakPolarHBondContact CA-O 3.16Å; W84-I114 HydrophobicContact CB-CD1 4.3Å; W84-I114 HydrophobicContact CB-CG1 4.05Å; W84-I114 HydrophobicContact CG-CD1 4.48Å; W84-I114 HydrophobicContact CG-CG1 4.34Å; W84-E116 HydrophobicContact CH2-CB 4.15Å; W84-E116 HydrophobicContact CH2-CG 4.23Å; W84-E116 HydrophobicContact CZ2-CB 3.54Å; W84-E116 HydrophobicContact CZ2-CG 3.57Å; W84-E119 PolarHBondContact NE1-OE1 2.78Å; W84-F124 HydrophobicContact CB-CE2 4.2Å; W84-F124 HydrophobicContact CB-CZ 4.24Å; W84-F124 AromaticContact CD1-CZ 3.58Å; W84-F124 HydrophobicContact CG-CE2 4.42Å; W84-F124 HydrophobicContact CG-CZ 4.04Å
85V97.9Very high90.3Very high17 Ų1754.3 Ų54.310%0.10329%0.292CS..EExtended strand (participates in β ladder)trans-108.4112.8-179.7-177.80000108.3T83 A89 A94 V113 I114 E116T83-V85 HydrophobicContact CG2-CG2 4.19Å; V85-A89 HydrophobicContact CG1-CB 4.28Å; V85-A94 HydrophobicContact CG1-CB 3.73Å; V85-A94 HydrophobicContact CG2-CB 4.13Å; V85-V113 HydrophobicContact CG2-CG1 3.89Å; V85-I114 PolarHBondContact N-O 2.74Å; V85-E116 PolarHBondContact O-N 2.85Å
86G97.3Very high91.9Very high3 Ų348.5 Ų48.53%0.03126%0.256CS..  trans-60.6145.517500000111.4S62 F64 A88 A89S62-G86 CarbonylContact O-C 3.59Å; S62-G86 WeakPolarHBondContact O-CA 3.23Å; F64-G86 PolarHBondContact O-N 2.83Å; F64-G86 VanDerWaalsContact O-N 3.15Å; G86-A88 PolarHBondContact O-N 3.28Å; G86-A88 VanDerWaalsContact O-N 3.12Å; G86-A89 VanDerWaalsContact O-CB 3.28Å; G86-A89 WeakPolarHBondContact O-CB 3.45Å; G86-A89 PolarHBondContact O-N 3.1Å
87R96.5Very high93.2Very high141 Ų14141 Ų4153%0.53222%0.216SC..THydrogen-bonded Turntrans-62.8-21.9-175.172.2-160.5-177.6-147.215.2114S62 E116 E136S62-R87 PolarHBondContact O-N 3.39Å; S62-R87 PolarHBondContact OG-NH1 3.49Å; R87-E116 HydrophobicContact CB-CB 4.19Å; R87-E116 HydrophobicContact CB-CG 4.49Å; R87-E116 WeakPolarHBondContact CB-OE2 3.46Å; R87-E116 WeakPolarHBondContact CD-OE2 3.46Å; R87-E116 WeakPolarHBondContact CG-OE2 3.41Å; R87-E116 IonicContact CZ-OE1 3.22Å; R87-E116 PolarHBondContact N-OE2 3.26Å; R87-E116 IonicContact NE-OE1 2.9Å; R87-E116 IonicContact NH1-OE1 3.89Å; R87-E116 PolarHBondContact NH1-OE1 2.8Å; R87-E136 IonicContact CZ-OE1 3.11Å; R87-E136 IonicContact CZ-OE2 2.6Å; R87-E136 IonicContact NH1-OE1 2.66Å; R87-E136 PolarHBondContact NH1-OE1 3.16Å; R87-E136 IonicContact NH2-OE1 2.74Å; R87-E136 PolarHBondContact NH2-OE1 2.57Å; R87-E136 IonicContact NH2-OE2 2.96Å; R87-E136 PolarHBondContact NH2-OE2 3.08Å
88A95.4Very high94.3Very high42 Ų4243 Ų4335%0.34722%0.224SC..THydrogen-bonded Turntrans-108.76178.400000112.6S62 E63 G86S62-A88 CarbonylContact O-C 3.56Å; S62-A88 WeakPolarHBondContact O-CA 3.21Å; S62-A88 WeakPolarHBondContact O-CB 3.2Å; S62-A88 PolarHBondContact O-N 2.92Å; E63-A88 HydrophobicContact CG-CB 3.92Å; G86-A88 PolarHBondContact O-N 3.28Å; G86-A88 VanDerWaalsContact O-N 3.12Å
89A95.3Very high94.9Very high16 Ų1642.3 Ų42.313%0.13222%0.223CC..SBendtrans-66.7148.1179.600000112.1S62 E63 V85 G86S62-A89 PolarHBondContact O-N 3.49Å; E63-A89 WeakPolarHBondContact O-CA 3.18Å; V85-A89 HydrophobicContact CG1-CB 4.28Å; G86-A89 VanDerWaalsContact O-CB 3.28Å; G86-A89 WeakPolarHBondContact O-CB 3.45Å; G86-A89 PolarHBondContact O-N 3.1Å
90D93.1Very high95.2Very high84 Ų8442.3 Ų42.345%0.44922%0.223SC..  trans-66.7131.2176.8-172-64.1000110.5D92 E93 A94D90-D92 PolarHBondContact O-N 3.09Å; D90-D92 VanDerWaalsContact OD1-CB 3.31Å; D90-D92 WeakPolarHBondContact OD1-CB 3.42Å; D90-D92 PolarHBondContact OD1-N 3.24Å; D90-E93 HydrophobicContact CB-CB 4.22Å; D90-E93 HydrophobicContact CB-CG 4.08Å; D90-E93 WeakPolarHBondContact O-CA 3.43Å; D90-E93 WeakPolarHBondContact O-CB 3.42Å; D90-E93 PolarHBondContact O-N 2.94Å; D90-A94 PolarHBondContact O-N 3.22Å
91P94Very high95.4Very high101 Ų10141.5 Ų41.566%0.65622%0.219SC*.Hα-helixtrans-57.5-32.1179.8-26.234.9000114.5E93 A94 K95P91-E93 VanDerWaalsContact C-N 3.34Å; P91-A94 PolarHBondContact O-N 3.13Å; P91-K95 PolarHBondContact O-N 3.07Å
92D92.6Very high95.4Very high111 Ų11144.9 Ų44.959%0.59424%0.237SC*.Hα-helixtrans-71-32.5175.8-74.2-20.7000111.2D90 L96D90-D92 PolarHBondContact O-N 3.09Å; D90-D92 VanDerWaalsContact OD1-CB 3.31Å; D90-D92 WeakPolarHBondContact OD1-CB 3.42Å; D90-D92 PolarHBondContact OD1-N 3.24Å; D92-L96 WeakPolarHBondContact O-CB 3.3Å; D92-L96 PolarHBondContact O-N 3.04Å
93E92.8Very high95.2Very high23 Ų2348.8 Ų48.811%0.10727%0.265CS..Hα-helixtrans-72.2-38.5172.5-68.7-162.3151.100111.9T41 D90 P91 L96 A97T41-E93 WeakPolarHBondContact CB-OE1 3.35Å; T41-E93 PolarHBondContact OG1-OE1 3.49Å; D90-E93 HydrophobicContact CB-CB 4.22Å; D90-E93 HydrophobicContact CB-CG 4.08Å; D90-E93 WeakPolarHBondContact O-CA 3.43Å; D90-E93 WeakPolarHBondContact O-CB 3.42Å; D90-E93 PolarHBondContact O-N 2.94Å; P91-E93 VanDerWaalsContact C-N 3.34Å; E93-L96 CarbonylContact O-C 3.59Å; E93-L96 WeakPolarHBondContact O-CB 3.44Å; E93-L96 PolarHBondContact O-N 2.86Å; E93-A97 WeakPolarHBondContact O-CB 3.31Å; E93-A97 PolarHBondContact O-N 2.77Å
94A95.5Very high94.8Very high21 Ų2150.8 Ų50.817%0.17427%0.274CS..Hα-helixtrans-60.6-46174.700000111.7C65 V85 D90 P91 L96 A97 E98C65-A94 VanDerWaalsContact SG-CA 3.6Å; V85-A94 HydrophobicContact CG1-CB 3.73Å; V85-A94 HydrophobicContact CG2-CB 4.13Å; D90-A94 PolarHBondContact O-N 3.22Å; P91-A94 PolarHBondContact O-N 3.13Å; A94-L96 VanDerWaalsContact C-N 3.34Å; A94-L96 PolarHBondContact O-N 3.02Å; A94-A97 WeakPolarHBondContact O-CB 3.48Å; A94-A97 PolarHBondContact O-N 3.36Å; A94-E98 PolarHBondContact O-N 2.88Å; A94-E98 VanDerWaalsContact O-N 3.07Å
95K95.6Very high94.5Very high136 Ų13651.5 Ų51.559%0.59128%0.278SS*.Hα-helixtrans-62.8-41.2174.5-175174.1-177.71750112.1P91 A97 E98 D99P91-K95 PolarHBondContact O-N 3.07Å; K95-A97 VanDerWaalsContact C-N 3.3Å; K95-A97 PolarHBondContact O-N 2.9Å; K95-E98 PolarHBondContact O-N 3.18Å; K95-D99 WeakPolarHBondContact O-CB 3.35Å; K95-D99 PolarHBondContact O-N 3.03Å
96L95Very high94Very high13 Ų1354.8 Ų54.87%0.06830%0.295CS..Hα-helixtrans-63.2-38.6175.617863.2000111.6R16 K17 T48 D92 E93 A94 D99 I100R16-L96 HydrophobicContact CB-CD1 4.31Å; R16-L96 HydrophobicContact CB-CD2 4.04Å; K17-L96 HydrophobicContact CG-CD1 4.41Å; T48-L96 HydrophobicContact CG2-CD2 3.68Å; D92-L96 WeakPolarHBondContact O-CB 3.3Å; D92-L96 PolarHBondContact O-N 3.04Å; E93-L96 CarbonylContact O-C 3.59Å; E93-L96 WeakPolarHBondContact O-CB 3.44Å; E93-L96 PolarHBondContact O-N 2.86Å; A94-L96 VanDerWaalsContact C-N 3.34Å; A94-L96 PolarHBondContact O-N 3.02Å; L96-D99 WeakPolarHBondContact O-CB 3.29Å; L96-D99 PolarHBondContact O-N 3.05Å; L96-I100 HydrophobicContact CD1-CD1 3.92Å; L96-I100 HydrophobicContact CD1-CG1 4.15Å; L96-I100 HydrophobicContact CD2-CD1 4.32Å; L96-I100 HydrophobicContact CG-CD1 3.69Å; L96-I100 HydrophobicContact CG-CG1 4.35Å; L96-I100 WeakPolarHBondContact O-CB 2.96Å; L96-I100 WeakPolarHBondContact O-CD1 3.28Å; L96-I100 WeakPolarHBondContact O-CG1 3.4Å; L96-I100 PolarHBondContact O-N 2.64Å
97A96.3Very high93.4Very high0 Ų061.7 Ų61.70%033%0.331CS..Hα-helixtrans-63-44.6177.800000112I39 C65 T83 E93 A94 K95 I100 M101I39-A97 VanDerWaalsContact CD1-CA 3.45Å; I39-A97 HydrophobicContact CD1-CB 3.24Å; C65-A97 HydrophobicContact CB-CB 3.69Å; T83-A97 HydrophobicContact CG2-CB 3.72Å; E93-A97 WeakPolarHBondContact O-CB 3.31Å; E93-A97 PolarHBondContact O-N 2.77Å; A94-A97 WeakPolarHBondContact O-CB 3.48Å; A94-A97 PolarHBondContact O-N 3.36Å; K95-A97 VanDerWaalsContact C-N 3.3Å; K95-A97 PolarHBondContact O-N 2.9Å; A97-I100 PolarHBondContact O-N 3.16Å; A97-M101 WeakPolarHBondContact O-CB 3.47Å; A97-M101 PolarHBondContact O-N 3.19Å
98E95.7Very high92.9Very high84 Ų8457.8 Ų57.839%0.39332%0.323SS..Hα-helixtrans-60.4-45.4173.5-171.3-177.2177.100111.6A94 K95 I100 M101 N102 V113A94-E98 PolarHBondContact O-N 2.88Å; A94-E98 VanDerWaalsContact O-N 3.07Å; K95-E98 PolarHBondContact O-N 3.18Å; E98-I100 VanDerWaalsContact C-N 3.29Å; E98-I100 PolarHBondContact O-N 3.07Å; E98-M101 HydrophobicContact CG-CE 3.97Å; E98-M101 PolarHBondContact O-N 2.71Å; E98-N102 WeakPolarHBondContact O-CB 3.49Å; E98-N102 PolarHBondContact O-N 2.95Å; E98-N102 PolarHBondContact O-ND2 2.95Å; E98-V113 HydrophobicContact CG-CG2 4.02Å
99D95.3Very high92.6Very high70 Ų7057.1 Ų57.137%0.37431%0.311SS..Hα-helixtrans-62.2-33.5176.2-87.1-7.2000113.4K17 K95 L96 S103K17-D99 PolarHBondContact NZ-O 3.28Å; K95-D99 WeakPolarHBondContact O-CB 3.35Å; K95-D99 PolarHBondContact O-N 3.03Å; L96-D99 WeakPolarHBondContact O-CB 3.29Å; L96-D99 PolarHBondContact O-N 3.05Å; D99-S103 WeakPolarHBondContact O-CB 3.38Å; D99-S103 PolarHBondContact O-N 2.62Å
100I95.2Very high92.4Very high1 Ų158.9 Ų58.91%0.00532%0.323CS..Hα-helixtrans-74-47.1176.7-72.1165.3000109.6K17 I19 I39 T50 I67 L96 A97 E98 N102 S103 M104K17-I100 HydrophobicContact CG-CG1 4.14Å; I19-I100 HydrophobicContact CD1-CG2 4.12Å; I19-I100 HydrophobicContact CG1-CG2 4.39Å; I39-I100 HydrophobicContact CD1-CD1 4.39Å; T50-I100 HydrophobicContact CG2-CG2 4.25Å; T50-I100 WeakPolarHBondContact OG1-CD1 3.35Å; I67-I100 HydrophobicContact CD1-CB 4.22Å; I67-I100 HydrophobicContact CD1-CG2 3.77Å; L96-I100 HydrophobicContact CD1-CD1 3.92Å; L96-I100 HydrophobicContact CD1-CG1 4.15Å; L96-I100 HydrophobicContact CD2-CD1 4.32Å; L96-I100 HydrophobicContact CG-CD1 3.69Å; L96-I100 HydrophobicContact CG-CG1 4.35Å; L96-I100 WeakPolarHBondContact O-CB 2.96Å; L96-I100 WeakPolarHBondContact O-CD1 3.28Å; L96-I100 WeakPolarHBondContact O-CG1 3.4Å; L96-I100 PolarHBondContact O-N 2.64Å; A97-I100 PolarHBondContact O-N 3.16Å; E98-I100 VanDerWaalsContact C-N 3.29Å; E98-I100 PolarHBondContact O-N 3.07Å; I100-N102 VanDerWaalsContact C-N 3.33Å; I100-N102 PolarHBondContact O-N 3.35Å; I100-S103 PolarHBondContact O-N 3.34Å; I100-S103 VanDerWaalsContact O-N 3.15Å; I100-M104 WeakPolarHBondContact O-CB 3.27Å; I100-M104 PolarHBondContact O-N 3.36Å
101M94.9Very high92.5Very high3 Ų357.6 Ų57.62%0.01531%0.313CS..Hα-helixtrans-53.8-49.9174.5173.4-164.65700111I67 V81 T83 A97 E98 S103 M104 F105 K111 V113I67-M101 HydrophobicContact CD1-CB 4.05Å; I67-M101 HydrophobicContact CG1-CB 4.49Å; V81-M101 HydrophobicContact CG1-CG 3.79Å; V81-M101 HydrophobicContact CG1-SD 4.23Å; T83-M101 WeakPolarHBondContact OG1-CB 3.48Å; T83-M101 PolarHBondContact OG1-SD 3.18Å; A97-M101 WeakPolarHBondContact O-CB 3.47Å; A97-M101 PolarHBondContact O-N 3.19Å; E98-M101 HydrophobicContact CG-CE 3.97Å; E98-M101 PolarHBondContact O-N 2.71Å; M101-S103 VanDerWaalsContact C-N 3.27Å; M101-S103 PolarHBondContact O-N 3.49Å; M101-M104 PolarHBondContact O-N 3.42Å; M101-F105 HydrophobicContact CG-CD2 4.4Å; M101-F105 PolarHBondContact O-N 3.02Å; M101-F105 VanDerWaalsContact O-N 3.08Å; M101-K111 HydrophobicContact CE-CB 4.04Å; M101-K111 HydrophobicContact CG-CG 4.46Å; M101-K111 HydrophobicContact SD-CB 3.83Å; M101-K111 HydrophobicContact SD-CG 4.21Å; M101-V113 HydrophobicContact CE-CG2 4.38Å
102N93.8Very high92.5Very high71 Ų7156.9 Ų56.938%0.3830%0.301SS..Hα-helixtrans-63.9-31.6-179.3-76.9-36.1000113.1E98 I100 K111E98-N102 WeakPolarHBondContact O-CB 3.49Å; E98-N102 PolarHBondContact O-N 2.95Å; E98-N102 PolarHBondContact O-ND2 2.95Å; I100-N102 VanDerWaalsContact C-N 3.33Å; I100-N102 PolarHBondContact O-N 3.35Å; N102-K111 WeakPolarHBondContact OD1-CD 3.27Å
103S92.3Very high92.7Very high86 Ų8654.5 Ų54.560%0.60129%0.291SS*.Hα-helixtrans-83-26.3177.5-174.70000113.2D99 I100 M101D99-S103 WeakPolarHBondContact O-CB 3.38Å; D99-S103 PolarHBondContact O-N 2.62Å; I100-S103 PolarHBondContact O-N 3.34Å; I100-S103 VanDerWaalsContact O-N 3.15Å; M101-S103 VanDerWaalsContact C-N 3.27Å; M101-S103 PolarHBondContact O-N 3.49Å
104M89.9Confident92.9Very high42 Ų4253.7 Ų53.721%0.20729%0.287CS..Hα-helixtrans-87.4-34.7-172.6-177.4171.2-173.200112.3I19 H21 Y37 I100 M101I19-M104 HydrophobicContact CD1-CB 4.3Å; I19-M104 HydrophobicContact CD1-CG 4.3Å; I19-M104 HydrophobicContact CD1-SD 4.1Å; I19-M104 HydrophobicContact CG2-CE 4.03Å; I19-M104 HydrophobicContact CG2-SD 4.27Å; H21-M104 WeakPolarHBondContact CE1-CE 3.5Å; Y37-M104 HydrophobicContact CD1-CE 4.17Å; Y37-M104 HydrophobicContact CE1-CE 3.45Å; Y37-M104 VanDerWaalsContact CE1-CE 3.45Å; Y37-M104 HydrophobicContact CE1-SD 4.42Å; Y37-M104 HydrophobicContact CE2-CE 3.89Å; Y37-M104 WeakPolarHBondContact OH-CE 3.22Å; I100-M104 WeakPolarHBondContact O-CB 3.27Å; I100-M104 PolarHBondContact O-N 3.36Å; M101-M104 PolarHBondContact O-N 3.42Å
105F89.8Confident92.9Very high16 Ų1656.4 Ų56.47%0.0730%0.298CS..SBendtrans-117.4134.9-177.4-56.3-75.9000110.4Y37 I67 K69 V81 M101 Y109 K111Y37-F105 HydrophobicContact CE2-CZ 4.21Å; I67-F105 HydrophobicContact CG2-CE2 3.92Å; K69-F105 HydrophobicContact CB-CE1 4.36Å; K69-F105 HydrophobicContact CB-CZ 4.19Å; K69-F105 HydrophobicContact CD-CE1 3.82Å; K69-F105 HydrophobicContact CD-CZ 4.41Å; K69-F105 HydrophobicContact CG-CE1 4.15Å; K69-F105 HydrophobicContact CG-CZ 4.48Å; V81-F105 HydrophobicContact CB-CD2 4.34Å; V81-F105 HydrophobicContact CG1-CD2 3.69Å; V81-F105 HydrophobicContact CG1-CE2 3.73Å; V81-F105 HydrophobicContact CG1-CG 4.42Å; V81-F105 HydrophobicContact CG1-CZ 4.49Å; V81-F105 HydrophobicContact CG2-CB 4.31Å; V81-F105 HydrophobicContact CG2-CD1 4.1Å; V81-F105 HydrophobicContact CG2-CD2 3.95Å; V81-F105 HydrophobicContact CG2-CE1 4.46Å; V81-F105 HydrophobicContact CG2-CE2 4.3Å; V81-F105 HydrophobicContact CG2-CG 3.83Å; M101-F105 HydrophobicContact CG-CD2 4.4Å; M101-F105 PolarHBondContact O-N 3.02Å; M101-F105 VanDerWaalsContact O-N 3.08Å; F105-Y109 HydrophobicContact CB-CD2 4.25Å; F105-Y109 HydrophobicContact CD1-CD2 4.44Å; F105-K111 WeakPolarHBondContact O-CE 3.4Å; F105-K111 PolarHBondContact O-NZ 2.86Å
106D87.3Confident92.9Very high86 Ų8651 Ų5146%0.4628%0.275SS..  trans-72.7178.7174.961.824.4000111.5T108 Y109 K111D106-T108 PolarHBondContact O-N 3.2Å; D106-T108 VanDerWaalsContact OD1-CB 3.28Å; D106-T108 WeakPolarHBondContact OD1-CB 3.15Å; D106-T108 WeakPolarHBondContact OD1-CG2 3.29Å; D106-T108 PolarHBondContact OD1-N 2.8Å; D106-T108 PolarHBondContact OD1-OG1 2.8Å; D106-Y109 PolarHBondContact O-N 3.25Å; D106-K111 WeakPolarHBondContact O-CE 3.48Å; D106-K111 PolarHBondContact O-NZ 3.1Å
107D85.5Confident92.8Very high148 Ų14853.4 Ų53.479%0.79130%0.304SS*.THydrogen-bonded Turntrans-785.3-177.6-58.8-29.8000113.3Y109 K111D107-Y109 VanDerWaalsContact C-N 3.26Å; D107-K111 IonicContact OD1-NZ 2.93Å; D107-K111 PolarHBondContact OD1-NZ 3.15Å
108T86.9Confident92.7Very high59 Ų5959.9 Ų59.936%0.36233%0.334SS..THydrogen-bonded Turntrans-78-15.417275.90000112.6N77 Q78 D106N77-T108 PolarHBondContact OD1-O 2.64Å; Q78-T108 WeakPolarHBondContact CG-OG1 3.27Å; Q78-T108 PolarHBondContact N-O 3.16Å; Q78-T108 PolarHBondContact OE1-OG1 2.86Å; D106-T108 PolarHBondContact O-N 3.2Å; D106-T108 VanDerWaalsContact OD1-CB 3.28Å; D106-T108 WeakPolarHBondContact OD1-CB 3.15Å; D106-T108 WeakPolarHBondContact OD1-CG2 3.29Å; D106-T108 PolarHBondContact OD1-N 2.8Å; D106-T108 PolarHBondContact OD1-OG1 2.8Å
109Y88.6Confident92.5Very high28 Ų2857.1 Ų57.111%0.1132%0.321CS..EExtended strand (participates in β ladder)trans-97.6138.1171.4-68.1-91.8000110.4K69 Q78 G79 V81 F105 D106 D107 K111K69-Y109 HydrophobicContact CD-CE1 4.49Å; K69-Y109 VanDerWaalsContact CE-CZ 3.44Å; K69-Y109 VanDerWaalsContact CE-OH 3.24Å; K69-Y109 WeakPolarHBondContact CE-OH 3.39Å; K69-Y109 HydrophobicContact CG-CE1 4.37Å; K69-Y109 PolarHBondContact NZ-OH 2.89Å; Q78-Y109 HydrophobicContact CB-CD1 4.08Å; Q78-Y109 HydrophobicContact CB-CD2 4.25Å; Q78-Y109 HydrophobicContact CB-CE1 3.59Å; Q78-Y109 HydrophobicContact CB-CE2 3.77Å; Q78-Y109 HydrophobicContact CB-CG 4.38Å; Q78-Y109 VanDerWaalsContact CB-CZ 3.41Å; Q78-Y109 HydrophobicContact CG-CE2 4.45Å; Q78-Y109 WeakPolarHBondContact O-CE1 3.44Å; Q78-Y109 VanDerWaalsContact OE1-CZ 3.22Å; Q78-Y109 PolarHBondContact OE1-OH 3.04Å; G79-Y109 WeakPolarHBondContact O-CA 3.5Å; V81-Y109 HydrophobicContact CG2-CD1 3.89Å; V81-Y109 HydrophobicContact CG2-CG 4Å; F105-Y109 HydrophobicContact CB-CD2 4.25Å; F105-Y109 HydrophobicContact CD1-CD2 4.44Å; D106-Y109 PolarHBondContact O-N 3.25Å; D107-Y109 VanDerWaalsContact C-N 3.26Å; Y109-K111 PolarHBondContact O-N 3.5Å
110S91.1Very high92.2Very high53 Ų5355.7 Ų55.737%0.37132%0.315SS..EExtended strand (participates in β ladder)trans-68.9128.2164.8-59.30000109N77 G79 I80 V81N77-S110 PolarHBondContact ND2-OG 3.45Å; G79-S110 PolarHBondContact O-N 3.31Å; I80-S110 CarbonylContact C-O 3.54Å; I80-S110 VanDerWaalsContact CA-O 3.3Å; I80-S110 WeakPolarHBondContact CA-O 3.35Å; V81-S110 PolarHBondContact N-O 2.92Å
111K94.2Very high91.3Very high57 Ų5763.3 Ų63.325%0.24835%0.351CS..EExtended strand (participates in β ladder)trans-111.9128.4-177.7-63.5166.3-169168.50109V81 M101 N102 F105 D106 D107 Y109V81-K111 WeakPolarHBondContact O-CA 3.42Å; M101-K111 HydrophobicContact CE-CB 4.04Å; M101-K111 HydrophobicContact CG-CG 4.46Å; M101-K111 HydrophobicContact SD-CB 3.83Å; M101-K111 HydrophobicContact SD-CG 4.21Å; N102-K111 WeakPolarHBondContact OD1-CD 3.27Å; F105-K111 WeakPolarHBondContact O-CE 3.4Å; F105-K111 PolarHBondContact O-NZ 2.86Å; D106-K111 WeakPolarHBondContact O-CE 3.48Å; D106-K111 PolarHBondContact O-NZ 3.1Å; D107-K111 IonicContact OD1-NZ 2.93Å; D107-K111 PolarHBondContact OD1-NZ 3.15Å; Y109-K111 PolarHBondContact O-N 3.5Å
112Q94.6Very high90.5Very high86 Ų8668.9 Ų68.940%0.40238%0.381SS..EExtended strand (participates in β ladder)trans-138.2130-179.4-172.3176.7-1.200110.9V81 Y82 T83 I114V81-Q112 PolarHBondContact O-N 3.36Å; Y82-Q112 CarbonylContact C-O 3.49Å; Y82-Q112 VanDerWaalsContact CA-O 3.24Å; Y82-Q112 WeakPolarHBondContact CA-O 3.47Å; Y82-Q112 HydrophobicContact CD1-CB 4.03Å; Y82-Q112 HydrophobicContact CD1-CG 4.48Å; Y82-Q112 HydrophobicContact CE1-CB 4.24Å; T83-Q112 PolarHBondContact N-O 3.23Å; Q112-I114 HydrophobicContact CG-CG2 3.89Å
113V96.4Very high90Very high62 Ų6270.7 Ų70.738%0.37639%0.386SS..EExtended strand (participates in β ladder)trans-88.9131.5167.5-174.20000108T83 V85 E98 M101T83-V113 CarbonylContact O-C 3.51Å; T83-V113 WeakPolarHBondContact O-CA 3.38Å; V85-V113 HydrophobicContact CG2-CG1 3.89Å; E98-V113 HydrophobicContact CG-CG2 4.02Å; M101-V113 HydrophobicContact CE-CG2 4.38Å
114I96.2Very high89.9Confident5 Ų566.7 Ų66.73%0.02636%0.357CS..EExtended strand (participates in β ladder)trans-129.2139.4178.162.3178.9000109.1Y82 T83 W84 V85 Q112 E119 F124Y82-I114 HydrophobicContact CD1-CD1 3.98Å; Y82-I114 HydrophobicContact CD1-CG2 3.99Å; Y82-I114 HydrophobicContact CG-CD1 4.17Å; T83-I114 PolarHBondContact O-N 2.92Å; W84-I114 WeakPolarHBondContact CA-O 3.16Å; W84-I114 HydrophobicContact CB-CD1 4.3Å; W84-I114 HydrophobicContact CB-CG1 4.05Å; W84-I114 HydrophobicContact CG-CD1 4.48Å; W84-I114 HydrophobicContact CG-CG1 4.34Å; V85-I114 PolarHBondContact N-O 2.74Å; Q112-I114 HydrophobicContact CG-CG2 3.89Å; I114-E119 HydrophobicContact CD1-CG 4.22Å; I114-F124 HydrophobicContact CD1-CD2 3.41Å; I114-F124 VanDerWaalsContact CD1-CD2 3.41Å; I114-F124 HydrophobicContact CD1-CE2 3.55Å; I114-F124 HydrophobicContact CD1-CG 4.04Å; I114-F124 HydrophobicContact CD1-CZ 4.27Å
115N96.4Very high89.9Confident78 Ų7865.8 Ų65.842%0.41735%0.352SS..EExtended strand (participates in β ladder)trans-91.2152.6173.3-56-55.2000109.8G117 E118N115-G117 PolarHBondContact O-N 2.95Å; N115-E118 HydrophobicContact CB-CG 4.47Å; N115-E118 PolarHBondContact ND2-OE2 2.78Å; N115-E118 PolarHBondContact O-N 2.87Å
116E96Very high89.7Confident22 Ų2270.1 Ų70.110%0.10338%0.379CS..THydrogen-bonded Turntrans-54127.4170.9178.5175.2-178.500111.5S62 W84 V85 R87 E119 Y134S62-E116 VanDerWaalsContact CA-OE2 3.31Å; S62-E116 WeakPolarHBondContact CA-OE2 3.42Å; S62-E116 WeakPolarHBondContact CB-OE2 3.45Å; S62-E116 VanDerWaalsContact OG-CD 3.28Å; S62-E116 PolarHBondContact OG-OE1 3.02Å; S62-E116 PolarHBondContact OG-OE2 2.69Å; W84-E116 HydrophobicContact CH2-CB 4.15Å; W84-E116 HydrophobicContact CH2-CG 4.23Å; W84-E116 HydrophobicContact CZ2-CB 3.54Å; W84-E116 HydrophobicContact CZ2-CG 3.57Å; V85-E116 PolarHBondContact O-N 2.85Å; R87-E116 HydrophobicContact CB-CB 4.19Å; R87-E116 HydrophobicContact CB-CG 4.49Å; R87-E116 WeakPolarHBondContact CB-OE2 3.46Å; R87-E116 WeakPolarHBondContact CD-OE2 3.46Å; R87-E116 WeakPolarHBondContact CG-OE2 3.41Å; R87-E116 IonicContact CZ-OE1 3.22Å; R87-E116 PolarHBondContact N-OE2 3.26Å; R87-E116 IonicContact NE-OE1 2.9Å; R87-E116 IonicContact NH1-OE1 3.89Å; R87-E116 PolarHBondContact NH1-OE1 2.8Å; E116-E119 WeakPolarHBondContact CA-OE1 3.4Å; E116-Y134 WeakPolarHBondContact OE1-CE2 3.21Å; E116-Y134 PolarHBondContact OE1-OH 3.18Å
117G92.8Very high89.6Confident65 Ų6566.3 Ų66.367%0.6736%0.361SS*.THydrogen-bonded Turntrans89.8-8.3-175.300000115.1N115 E119N115-G117 PolarHBondContact O-N 2.95Å; G117-E119 VanDerWaalsContact C-OE2 3.27Å; G117-E119 WeakPolarHBondContact CA-OE2 3.43Å; G117-E119 PolarHBondContact N-OE1 2.81Å; G117-E119 PolarHBondContact N-OE2 2.9Å
118E93.8Very high89.9Confident135 Ų13559.4 Ų59.463%0.63132%0.323SS*.  trans-108.521.2175.5-59.6-177154.300111.8N115N115-E118 HydrophobicContact CB-CG 4.47Å; N115-E118 PolarHBondContact ND2-OE2 2.78Å; N115-E118 PolarHBondContact O-N 2.87Å
119E92.4Very high89.8Confident27 Ų2759.3 Ų59.313%0.12633%0.334CS..  trans-71.4134.8-175-55.887170.400112.3W84 I114 E116 G117 E121 F124 W125W84-E119 PolarHBondContact NE1-OE1 2.78Å; I114-E119 HydrophobicContact CD1-CG 4.22Å; E116-E119 WeakPolarHBondContact CA-OE1 3.4Å; G117-E119 VanDerWaalsContact C-OE2 3.27Å; G117-E119 WeakPolarHBondContact CA-OE2 3.43Å; G117-E119 PolarHBondContact N-OE1 2.81Å; G117-E119 PolarHBondContact N-OE2 2.9Å; E119-E121 PolarHBondContact O-N 3.47Å; E119-F124 HydrophobicContact CB-CB 4.47Å; E119-F124 HydrophobicContact CB-CD1 3.87Å; E119-F124 HydrophobicContact CB-CE1 4.42Å; E119-F124 HydrophobicContact CB-CG 4.26Å; E119-F124 HydrophobicContact CG-CD1 3.88Å; E119-F124 HydrophobicContact CG-CE1 3.91Å; E119-F124 HydrophobicContact CG-CG 4.46Å; E119-W125 HydrophobicContact CB-CZ2 4.14Å; E119-W125 HydrophobicContact CG-CZ2 3.96Å
120P88.1Confident89.8Confident39 Ų3960.5 Ų60.525%0.25335%0.347SS..  trans-71.1121.417627.1-31.8000111Y82 N122 F124Y82-P120 HydrophobicContact CE1-CG 3.94Å; P120-N122 VanDerWaalsContact C-N 3.28Å; P120-N122 PolarHBondContact O-N 3.11Å; P120-F124 HydrophobicContact CG-CB 3.98Å; P120-F124 WeakPolarHBondContact O-CB 3.34Å; P120-F124 PolarHBondContact O-N 3.09Å
121E76.8Confident89.8Confident161 Ų16164.3 Ų64.375%0.75236%0.359SS*.THydrogen-bonded Turntrans-55.3-38.8-175.2-69.9-172.9167.800114E119E119-E121 PolarHBondContact O-N 3.47Å
122N77.1Confident89.7Confident121 Ų12165.9 Ų65.965%0.64737%0.365SS*.THydrogen-bonded Turntrans-81.5-28.1-166.8-68.7-29.1000115.3P120 V126P120-N122 VanDerWaalsContact C-N 3.28Å; P120-N122 PolarHBondContact O-N 3.11Å; N122-V126 VanDerWaalsContact O-CG2 3.23Å; N122-V126 WeakPolarHBondContact O-CG2 3.43Å
123F83.5Confident89.6Confident109 Ų10970.8 Ų70.848%0.47839%0.388SS..THydrogen-bonded Turntrans-120.4-37.6-170-66.9-73.4000112.9F72 Y82 G127F72-F123 HydrophobicContact CE1-CD1 4.43Å; Y82-F123 WeakPolarHBondContact OH-CB 3.16Å; F123-G127 WeakPolarHBondContact O-CA 3.43Å; F123-G127 PolarHBondContact O-N 3.03Å
124F89.8Confident89.5Confident1 Ų170.2 Ų70.20%0.00438%0.38CS..Hα-helixtrans-71.1-56-177.9-177.8-94.3000111.1L60 L68 Y82 W84 I114 E119 P120 V126 G127 I128L60-F124 HydrophobicContact CD1-CE1 4.38Å; L60-F124 HydrophobicContact CD1-CZ 4.39Å; L68-F124 HydrophobicContact CB-CE2 4.21Å; L68-F124 HydrophobicContact CD2-CD2 3.55Å; L68-F124 HydrophobicContact CD2-CE2 3.6Å; L68-F124 HydrophobicContact CD2-CG 4.26Å; L68-F124 HydrophobicContact CD2-CZ 4.36Å; Y82-F124 AromaticContact CD2-CD2 3.96Å; Y82-F124 HydrophobicContact CD2-CD2 3.96Å; Y82-F124 HydrophobicContact CG-CD2 4.01Å; W84-F124 HydrophobicContact CB-CE2 4.2Å; W84-F124 HydrophobicContact CB-CZ 4.24Å; W84-F124 AromaticContact CD1-CZ 3.58Å; W84-F124 HydrophobicContact CG-CE2 4.42Å; W84-F124 HydrophobicContact CG-CZ 4.04Å; I114-F124 HydrophobicContact CD1-CD2 3.41Å; I114-F124 VanDerWaalsContact CD1-CD2 3.41Å; I114-F124 HydrophobicContact CD1-CE2 3.55Å; I114-F124 HydrophobicContact CD1-CG 4.04Å; I114-F124 HydrophobicContact CD1-CZ 4.27Å; E119-F124 HydrophobicContact CB-CB 4.47Å; E119-F124 HydrophobicContact CB-CD1 3.87Å; E119-F124 HydrophobicContact CB-CE1 4.42Å; E119-F124 HydrophobicContact CB-CG 4.26Å; E119-F124 HydrophobicContact CG-CD1 3.88Å; E119-F124 HydrophobicContact CG-CE1 3.91Å; E119-F124 HydrophobicContact CG-CG 4.46Å; P120-F124 HydrophobicContact CG-CB 3.98Å; P120-F124 WeakPolarHBondContact O-CB 3.34Å; P120-F124 PolarHBondContact O-N 3.09Å; F124-V126 VanDerWaalsContact C-N 3.31Å; F124-V126 PolarHBondContact O-N 2.76Å; F124-G127 PolarHBondContact O-N 3.18Å; F124-I128 HydrophobicContact CZ-CD1 4.39Å; F124-I128 WeakPolarHBondContact O-CG2 3.34Å; F124-I128 PolarHBondContact O-N 3.44Å
125W90.1Very high89.4Confident24 Ų2471.6 Ų71.69%0.09139%0.387CS..Hα-helixtrans-67.4-32.1-178.1-65120000113.1L60 E119 I128 G129 S130 Q131 Y134L60-W125 HydrophobicContact CD1-CH2 4.28Å; L60-W125 HydrophobicContact CD1-CZ3 4.2Å; E119-W125 HydrophobicContact CB-CZ2 4.14Å; E119-W125 HydrophobicContact CG-CZ2 3.96Å; W125-I128 HydrophobicContact CE3-CG2 3.82Å; W125-I128 HydrophobicContact CZ3-CG2 4.36Å; W125-G129 CarbonylContact O-C 3.52Å; W125-G129 VanDerWaalsContact O-C 3.26Å; W125-G129 PolarHBondContact O-N 3.3Å; W125-G129 VanDerWaalsContact O-N 3.09Å; W125-S130 PolarHBondContact O-N 2.74Å; W125-S130 VanDerWaalsContact O-N 3.11Å; W125-Q131 HydrophobicContact CD2-CB 3.83Å; W125-Q131 HydrophobicContact CD2-CG 4.06Å; W125-Q131 HydrophobicContact CE3-CB 3.73Å; W125-Q131 HydrophobicContact CE3-CG 3.97Å; W125-Q131 HydrophobicContact CG-CB 4.29Å; W125-Q131 HydrophobicContact CH2-CG 3.92Å; W125-Q131 HydrophobicContact CZ2-CG 4Å; W125-Q131 HydrophobicContact CZ3-CB 4.14Å; W125-Q131 HydrophobicContact CZ3-CG 3.9Å; W125-Y134 HydrophobicContact CH2-CE1 4.41Å
126V86.3Confident89.3Confident106 Ų10672.9 Ų72.964%0.64239%0.391SS*.Hα-helixtrans-69.8-44.2172.8179.20000110.7N122 F124 I128 G129N122-V126 VanDerWaalsContact O-CG2 3.23Å; N122-V126 WeakPolarHBondContact O-CG2 3.43Å; F124-V126 VanDerWaalsContact C-N 3.31Å; F124-V126 PolarHBondContact O-N 2.76Å; V126-I128 PolarHBondContact O-N 3.12Å; V126-G129 PolarHBondContact O-N 2.72Å
127G86Confident89.1Confident7 Ų774.3 Ų74.37%0.07240%0.399CS..Hα-helixtrans-66-35.2179.400000113.5P34 F123 F124P34-G127 WeakPolarHBondContact CB-O 3.28Å; P34-G127 VanDerWaalsContact CG-O 3.3Å; P34-G127 WeakPolarHBondContact CG-O 3.39Å; F123-G127 WeakPolarHBondContact O-CA 3.43Å; F123-G127 PolarHBondContact O-N 3.03Å; F124-G127 PolarHBondContact O-N 3.18Å
128I89.9Confident89Confident2 Ų271.6 Ų71.61%0.0137%0.371CS..Hα-helixtrans-84-12.5175.8-154169.9000113L36 T55 L60 L68 F124 W125 V126L36-I128 HydrophobicContact CD1-CD1 4.29Å; L36-I128 HydrophobicContact CD2-CD1 4.05Å; L36-I128 HydrophobicContact CD2-CG1 4.42Å; T55-I128 HydrophobicContact CG2-CG1 4.13Å; L60-I128 HydrophobicContact CD1-CD1 4.03Å; L60-I128 HydrophobicContact CD2-CD1 4.15Å; L60-I128 HydrophobicContact CG-CD1 4.1Å; L68-I128 HydrophobicContact CD1-CB 4.38Å; L68-I128 HydrophobicContact CD1-CG1 4.39Å; L68-I128 HydrophobicContact CD2-CB 4.07Å; F124-I128 HydrophobicContact CZ-CD1 4.39Å; F124-I128 WeakPolarHBondContact O-CG2 3.34Å; F124-I128 PolarHBondContact O-N 3.44Å; W125-I128 HydrophobicContact CE3-CG2 3.82Å; W125-I128 HydrophobicContact CZ3-CG2 4.36Å; V126-I128 PolarHBondContact O-N 3.12Å
129G86.4Confident88.9Confident57 Ų5769.3 Ų69.359%0.58836%0.36SS*.SBendtrans116.3-48.7173.200000114.3W125 V126W125-G129 CarbonylContact O-C 3.52Å; W125-G129 VanDerWaalsContact O-C 3.26Å; W125-G129 PolarHBondContact O-N 3.3Å; W125-G129 VanDerWaalsContact O-N 3.09Å; V126-G129 PolarHBondContact O-N 2.72Å
130S87.4Confident88.7Confident53 Ų5368.9 Ų68.937%0.37136%0.357SS..SBendtrans-173.4163172.548.80000109.6S57 W125 K132S57-S130 WeakPolarHBondContact CB-O 3.39Å; S57-S130 PolarHBondContact OG-O 3.38Å; W125-S130 PolarHBondContact O-N 2.74Å; W125-S130 VanDerWaalsContact O-N 3.11Å; S130-K132 WeakPolarHBondContact OG-CE 3.43Å
131Q90.9Very high88.7Confident134 Ų13469.2 Ų69.263%0.62636%0.356SS*.  trans-78.8127.9169.7-169.217718.300110.3W125W125-Q131 HydrophobicContact CD2-CB 3.83Å; W125-Q131 HydrophobicContact CD2-CG 4.06Å; W125-Q131 HydrophobicContact CE3-CB 3.73Å; W125-Q131 HydrophobicContact CE3-CG 3.97Å; W125-Q131 HydrophobicContact CG-CB 4.29Å; W125-Q131 HydrophobicContact CH2-CG 3.92Å; W125-Q131 HydrophobicContact CZ2-CG 4Å; W125-Q131 HydrophobicContact CZ3-CB 4.14Å; W125-Q131 HydrophobicContact CZ3-CG 3.9Å
132K92.1Very high89.2Confident89 Ų8969.7 Ų69.739%0.38736%0.356SS..  trans-135.5165.4176.6-61179.6-170.2165.40109.4D56 S57 S130 Y134D56-K132 WeakPolarHBondContact OD1-CD 3.35Å; D56-K132 WeakPolarHBondContact OD1-CE 3.14Å; D56-K132 IonicContact OD1-NZ 2.95Å; D56-K132 PolarHBondContact OD1-NZ 2.84Å; D56-K132 IonicContact OD2-NZ 3.7Å; D56-K132 PolarHBondContact OD2-NZ 3.39Å; S57-K132 WeakPolarHBondContact OG-CB 3.32Å; S57-K132 WeakPolarHBondContact OG-CG 3.09Å; S57-K132 PolarHBondContact OG-N 2.7Å; S57-K132 VanDerWaalsContact OG-N 3.16Å; S130-K132 WeakPolarHBondContact OG-CE 3.43Å; K132-Y134 WeakPolarHBondContact O-CD1 3.34Å
133E93.1Very high89.7Confident189 Ų18969.4 Ų69.488%0.88335%0.346SS*.  trans-66.3139.5170-63.9-176.9163.500110.2
134Y94.3Very high90Very high50 Ų5064.9 Ų64.920%0.19633%0.329CS..  trans-138.8166.418059.3-102.5000110.1L60 E116 W125 K132L60-Y134 HydrophobicContact CB-CD1 4.16Å; L60-Y134 HydrophobicContact CB-CD2 4.14Å; L60-Y134 HydrophobicContact CB-CG 3.87Å; L60-Y134 HydrophobicContact CD1-CD1 4.46Å; L60-Y134 WeakPolarHBondContact O-CB 3.39Å; E116-Y134 WeakPolarHBondContact OE1-CE2 3.21Å; E116-Y134 PolarHBondContact OE1-OH 3.18Å; W125-Y134 HydrophobicContact CH2-CE1 4.41Å; K132-Y134 WeakPolarHBondContact O-CD1 3.34Å
135D93.5Very high89.9Confident34 Ų3468.5 Ų68.518%0.18234%0.342CS..BIsolated β-bridgetrans-74.4142.6-175.9-76.5-34.4000111.9N61 S62 H261 R265N61-D135 WeakPolarHBondContact CA-O 3.17Å; N61-D135 VanDerWaalsContact ND2-CB 3.29Å; N61-D135 WeakPolarHBondContact ND2-CB 3.47Å; S62-D135 PolarHBondContact N-O 3.48Å; D135-H261 IonicContact OD1-CD2 3.73Å; D135-H261 IonicContact OD1-NE2 2.71Å; D135-H261 PolarHBondContact OD1-NE2 3.18Å; D135-H261 IonicContact OD2-CD2 3.42Å; D135-H261 IonicContact OD2-CE1 3.49Å; D135-H261 PolarHBondContact OD2-CE1 3.4Å; D135-H261 IonicContact OD2-NE2 2.64Å; D135-H261 PolarHBondContact OD2-NE2 2.93Å; D135-R265 VanDerWaalsContact CG-CZ 3.41Å; D135-R265 IonicContact OD1-CZ 2.84Å; D135-R265 IonicContact OD1-NH1 2.73Å; D135-R265 PolarHBondContact OD1-NH1 2.83Å; D135-R265 IonicContact OD2-CZ 2.72Å; D135-R265 IonicContact OD2-NE 2.7Å; D135-R265 PolarHBondContact OD2-NE 3.22Å; D135-R265 IonicContact OD2-NH1 2.74Å; D135-R265 PolarHBondContact OD2-NH1 2.73Å; D135-R265 IonicContact OD2-NH2 3.77Å
136E94.3Very high90Very high105 Ų10567.4 Ų67.449%0.49134%0.338SS..  trans-109.9-0.5-179-53.9-169.2139.300113.5R87R87-E136 IonicContact CZ-OE1 3.11Å; R87-E136 IonicContact CZ-OE2 2.6Å; R87-E136 IonicContact NH1-OE1 2.66Å; R87-E136 PolarHBondContact NH1-OE1 3.16Å; R87-E136 IonicContact NH2-OE1 2.74Å; R87-E136 PolarHBondContact NH2-OE1 2.57Å; R87-E136 IonicContact NH2-OE2 2.96Å; R87-E136 PolarHBondContact NH2-OE2 3.08Å
137D92.6Very high90.1Very high52 Ų5262.5 Ų62.528%0.27831%0.308SS..  trans-129154.1-177.479.8106.5000112.8N61 R265N61-D137 PolarHBondContact ND2-O 3.2Å; D137-R265 PolarHBondContact O-NH2 3.07Å; D137-R265 IonicContact OD1-NH2 3.76Å; D137-R265 PolarHBondContact OD1-NH2 3.42Å; D137-R265 IonicContact OD2-CZ 3.96Å; D137-R265 IonicContact OD2-NH1 3.02Å; D137-R265 IonicContact OD2-NH2 3.06Å; D137-R265 PolarHBondContact OD2-NH2 3.49Å
138A91.6Very high90.3Very high9 Ų964.6 Ų64.67%0.07431%0.314CS..  trans-129.319.5173.300000112.6E63 F64 Y140 M141E63-A138 HydrophobicContact CB-CB 3.58Å; E63-A138 HydrophobicContact CG-CB 3.78Å; F64-A138 HydrophobicContact CE1-CB 4.18Å; F64-A138 HydrophobicContact CE2-CB 4.12Å; F64-A138 HydrophobicContact CZ-CB 3.52Å; A138-Y140 HydrophobicContact CB-CE1 4.35Å; A138-Y140 PolarHBondContact O-N 3.45Å; A138-Y140 VanDerWaalsContact O-N 3.11Å; A138-M141 WeakPolarHBondContact O-CB 3.32Å; A138-M141 PolarHBondContact O-N 3.05Å
139E89.7Confident90.1Very high87 Ų8764.5 Ų64.541%0.40731%0.314SS..THydrogen-bonded Turntrans-56.9-34.4-175.1-175-179.5-153.400112.2M141 K142 Y143 K182E139-M141 PolarHBondContact O-N 3.35Å; E139-M141 VanDerWaalsContact O-N 3.09Å; E139-K142 WeakPolarHBondContact O-CB 3.31Å; E139-K142 PolarHBondContact O-N 3.01Å; E139-Y143 HydrophobicContact CG-CD2 4.29Å; E139-Y143 HydrophobicContact CG-CE2 3.84Å; E139-Y143 WeakPolarHBondContact O-CD2 3.16Å; E139-K182 IonicContact OE2-NZ 3.74Å
140Y89Confident90Very high18 Ų1862 Ų627%0.07129%0.287CS..Hα-helixtrans-52.7-32176.666.6-91.3000112.8A138 K142 Y143 A144 R265 C266A138-Y140 HydrophobicContact CB-CE1 4.35Å; A138-Y140 PolarHBondContact O-N 3.45Å; A138-Y140 VanDerWaalsContact O-N 3.11Å; Y140-K142 VanDerWaalsContact C-N 3.25Å; Y140-K142 PolarHBondContact O-N 3.24Å; Y140-Y143 PolarHBondContact O-N 3.21Å; Y140-A144 WeakPolarHBondContact O-CA 3.48Å; Y140-A144 WeakPolarHBondContact O-CB 3.38Å; Y140-A144 PolarHBondContact O-N 2.66Å; Y140-R265 HydrophobicContact CD1-CG 4.39Å; Y140-R265 VanDerWaalsContact CD1-NE 3.33Å; Y140-R265 HydrophobicContact CE1-CG 4.14Å; Y140-R265 VanDerWaalsContact CE1-NH2 3.34Å; Y140-R265 HydrophobicContact CE2-CG 4.31Å; Y140-R265 WeakPolarHBondContact CE2-O 3.46Å; Y140-R265 PolarHBondContact OH-O 3.19Å; Y140-C266 HydrophobicContact CD2-CB 4.44Å
141M89.1Confident89.7Confident45 Ų4562.9 Ų62.922%0.22229%0.287CS..Hα-helixtrans-64.8-28.3-179.6-72-168.753.700113.5R40 T41 N42 F64 A138 E139 Y143R40-M141 HydrophobicContact CG-CE 4.06Å; R40-M141 HydrophobicContact CG-SD 4.28Å; R40-M141 VanDerWaalsContact CZ-SD 3.55Å; R40-M141 PolarHBondContact NE-SD 2.85Å; T41-M141 VanDerWaalsContact O-CE 3.31Å; T41-M141 WeakPolarHBondContact O-CE 3.42Å; N42-M141 WeakPolarHBondContact OD1-CE 3.37Å; F64-M141 HydrophobicContact CE1-SD 3.65Å; F64-M141 HydrophobicContact CE2-SD 4.47Å; F64-M141 HydrophobicContact CZ-SD 3.32Å; F64-M141 WeakPolarHBondContact CZ-SD 3.32Å; A138-M141 WeakPolarHBondContact O-CB 3.32Å; A138-M141 PolarHBondContact O-N 3.05Å; E139-M141 PolarHBondContact O-N 3.35Å; E139-M141 VanDerWaalsContact O-N 3.09Å; M141-Y143 PolarHBondContact O-N 3.46Å
142K86.8Confident89.2Confident172 Ų17261.7 Ų61.775%0.74828%0.282SS*.Hα-helixtrans-71.1-25.6178.9-63.4176.9-177.2169.40112E139 Y140E139-K142 WeakPolarHBondContact O-CB 3.31Å; E139-K142 PolarHBondContact O-N 3.01Å; Y140-K142 VanDerWaalsContact C-N 3.25Å; Y140-K142 PolarHBondContact O-N 3.24Å
143Y86.3Confident88.4Confident115 Ų11563.8 Ų63.845%0.45129%0.291SS..Hα-helixtrans-112.5-14.8-175.7-57.3-72.4000113.4E139 Y140 M141 R145 G181E139-Y143 HydrophobicContact CG-CD2 4.29Å; E139-Y143 HydrophobicContact CG-CE2 3.84Å; E139-Y143 WeakPolarHBondContact O-CD2 3.16Å; Y140-Y143 PolarHBondContact O-N 3.21Å; M141-Y143 PolarHBondContact O-N 3.46Å; Y143-R145 WeakPolarHBondContact O-CG 3.44Å; Y143-R145 PolarHBondContact O-N 2.6Å; Y143-R145 VanDerWaalsContact O-N 3.12Å; Y143-G181 VanDerWaalsContact CB-CA 3.48Å
144A90.6Very high87.7Confident13 Ų1358.4 Ų58.411%0.10729%0.286CS..  trans-56.1111.4-17700000111.6Y140 F165 D179Y140-A144 WeakPolarHBondContact O-CA 3.48Å; Y140-A144 WeakPolarHBondContact O-CB 3.38Å; Y140-A144 PolarHBondContact O-N 2.66Å; A144-F165 HydrophobicContact CB-CE1 4.4Å; A144-F165 HydrophobicContact CB-CZ 4.1Å; A144-D179 CarbonylContact C-O 3.31Å; A144-D179 WeakPolarHBondContact CA-O 3.19Å
145R88.7Confident86.8Confident78 Ų7862.1 Ų62.129%0.29430%0.301SS..EExtended strand (participates in β ladder)trans-136.3130.1177.8-64.8173.775.3-164.43.1109.7Y143 F147 E160 L178 D179Y143-R145 WeakPolarHBondContact O-CG 3.44Å; Y143-R145 PolarHBondContact O-N 2.6Å; Y143-R145 VanDerWaalsContact O-N 3.12Å; R145-F147 HydrophobicContact CB-CE2 3.53Å; R145-F147 HydrophobicContact CB-CZ 3.93Å; R145-E160 IonicContact CZ-OE1 3.77Å; R145-E160 VanDerWaalsContact CZ-OE1 3.22Å; R145-E160 IonicContact CZ-OE2 3.63Å; R145-E160 IonicContact NE-OE1 3.18Å; R145-E160 PolarHBondContact NE-OE1 3.11Å; R145-E160 IonicContact NH2-OE1 2.77Å; R145-E160 PolarHBondContact NH2-OE1 2.9Å; R145-E160 IonicContact NH2-OE2 3.75Å; R145-E160 PolarHBondContact NH2-OE2 2.89Å; R145-L178 WeakPolarHBondContact O-CA 3.01Å; R145-D179 PolarHBondContact N-O 2.93Å; R145-D179 PolarHBondContact O-N 3.32Å
146L91.2Very high86Confident0 Ų061.6 Ų61.60%030%0.297CS..EExtended strand (participates in β ladder)trans-111.2132-177.6-17569.4000110.2K161 F165 D169 L170 M176 L177 L178 F267L146-K161 HydrophobicContact CB-CB 4.2Å; L146-K161 HydrophobicContact CD2-CB 4.35Å; L146-K161 HydrophobicContact CD2-CG 4.16Å; L146-K161 HydrophobicContact CG-CB 4.45Å; L146-K161 HydrophobicContact CG-CG 4.31Å; L146-K161 PolarHBondContact O-N 2.74Å; L146-F165 HydrophobicContact CB-CB 4.35Å; L146-F165 HydrophobicContact CB-CD1 3.65Å; L146-F165 HydrophobicContact CB-CD2 4.15Å; L146-F165 HydrophobicContact CB-CE1 3.91Å; L146-F165 HydrophobicContact CB-CE2 4.38Å; L146-F165 HydrophobicContact CB-CG 3.78Å; L146-F165 HydrophobicContact CB-CZ 4.26Å; L146-F165 HydrophobicContact CD2-CB 3.68Å; L146-F165 HydrophobicContact CD2-CD1 4.44Å; L146-F165 HydrophobicContact CD2-CD2 3.75Å; L146-F165 HydrophobicContact CD2-CG 3.7Å; L146-F165 HydrophobicContact CG-CG 4.39Å; L146-D169 HydrophobicContact CD2-CB 3.94Å; L146-L170 HydrophobicContact CD1-CD2 4.44Å; L146-M176 HydrophobicContact CD1-CB 4.07Å; L146-M176 HydrophobicContact CD1-CE 4.01Å; L146-M176 HydrophobicContact CD2-CE 3.67Å; L146-M176 HydrophobicContact CG-CE 3.68Å; L146-L177 CarbonylContact C-O 3.57Å; L146-L177 WeakPolarHBondContact CA-O 3.42Å; L146-L178 HydrophobicContact CB-CD1 4.47Å; L146-L178 HydrophobicContact CD1-CB 4.09Å; L146-L178 HydrophobicContact CD1-CD1 4.3Å; L146-F267 HydrophobicContact CD1-CZ 4.42Å; L146-F267 HydrophobicContact CD2-CE1 4.22Å
147F88.8Confident85.1Confident3 Ų357.4 Ų57.41%0.01328%0.279CS..EExtended strand (participates in β ladder)trans-124.5133.1179.5-55.8-97.3000110.3R145 V158 S159 E160 M176 L177 W209 Y236R145-F147 HydrophobicContact CB-CE2 3.53Å; R145-F147 HydrophobicContact CB-CZ 3.93Å; F147-V158 HydrophobicContact CB-CG1 3.95Å; F147-V158 HydrophobicContact CD1-CG1 4.23Å; F147-V158 HydrophobicContact CG-CG1 4.45Å; F147-S159 CarbonylContact C-O 3.55Å; F147-S159 VanDerWaalsContact CA-O 3.27Å; F147-S159 WeakPolarHBondContact CA-O 3.23Å; F147-E160 HydrophobicContact CD1-CB 3.78Å; F147-E160 HydrophobicContact CD1-CG 4.16Å; F147-E160 HydrophobicContact CE1-CB 3.63Å; F147-E160 HydrophobicContact CE1-CG 3.71Å; F147-E160 HydrophobicContact CZ-CB 4.49Å; F147-E160 HydrophobicContact CZ-CG 4.09Å; F147-M176 CarbonylContact O-C 3.49Å; F147-M176 VanDerWaalsContact O-CA 3.28Å; F147-M176 WeakPolarHBondContact O-CA 3.5Å; F147-L177 HydrophobicContact CB-CB 4.21Å; F147-L177 PolarHBondContact N-O 2.99Å; F147-L177 PolarHBondContact O-N 2.93Å; F147-W209 AromaticContact CD2-CH2 3.86Å; F147-W209 HydrophobicContact CD2-CH2 3.86Å; F147-W209 HydrophobicContact CD2-CZ3 4.39Å; F147-W209 AromaticContact CE2-CH2 3.37Å; F147-W209 HydrophobicContact CE2-CH2 3.37Å; F147-W209 HydrophobicContact CE2-CZ2 4.05Å; F147-W209 HydrophobicContact CE2-CZ3 4.28Å; F147-W209 HydrophobicContact CZ-CH2 4.05Å; F147-W209 HydrophobicContact CZ-CZ2 4.29Å; F147-Y236 HydrophobicContact CE1-CE2 4.38Å; F147-Y236 AromaticContact CE1-CZ 3.96Å; F147-Y236 WeakPolarHBondContact CE1-OH 3.44Å; F147-Y236 WeakPolarHBondContact CZ-OH 3.2Å
148R89.3Confident84.6Confident52 Ų5256.9 Ų56.920%0.19628%0.278CS..EExtended strand (participates in β ladder)trans-92.6122.5170.8-175.4-174.8-168.5-161.87.9109.2E152 V158 S159 D174 M176R148-E152 IonicContact CZ-OE1 2.82Å; R148-E152 IonicContact CZ-OE2 3.02Å; R148-E152 IonicContact NH1-OE1 3.63Å; R148-E152 IonicContact NH1-OE2 3.72Å; R148-E152 PolarHBondContact NH1-OE2 3.17Å; R148-E152 IonicContact NH2-OE1 2.85Å; R148-E152 PolarHBondContact NH2-OE1 2.97Å; R148-E152 IonicContact NH2-OE2 2.74Å; R148-E152 PolarHBondContact NH2-OE2 3.01Å; R148-E152 VanDerWaalsContact NH2-OE2 3.11Å; R148-V158 WeakPolarHBondContact O-CA 3.46Å; R148-S159 PolarHBondContact N-O 2.74Å; R148-S159 PolarHBondContact O-N 3.2Å; R148-S159 PolarHBondContact O-OG 3.49Å; R148-D174 HydrophobicContact CG-CB 4.32Å; R148-D174 IonicContact CZ-OD2 3.2Å; R148-D174 IonicContact NE-OD2 2.78Å; R148-D174 PolarHBondContact NE-OD2 2.99Å; R148-D174 IonicContact NH2-OD2 2.79Å; R148-D174 PolarHBondContact NH2-OD2 2.78Å; R148-M176 HydrophobicContact CB-CE 4.03Å; R148-M176 HydrophobicContact CB-SD 3.77Å; R148-M176 HydrophobicContact CG-SD 3.82Å
149C85.4Confident84.1Confident0 Ų058.6 Ų58.60%029%0.29CS..EExtended strand (participates in β ladder)trans-103.9112.8171-61.70000108.4F156 S157 I175 L177 S200C149-F156 HydrophobicContact CB-CE2 3.92Å; C149-F156 HydrophobicContact CB-CZ 3.86Å; C149-S157 WeakPolarHBondContact CA-O 3.49Å; C149-I175 HydrophobicContact CB-CB 4.14Å; C149-I175 HydrophobicContact CB-CG2 4.47Å; C149-I175 PolarHBondContact N-O 3.42Å; C149-I175 PolarHBondContact O-N 3.41Å; C149-L177 VanDerWaalsContact SG-CD1 3.6Å; C149-S200 VanDerWaalsContact CB-OG 3.27Å; C149-S200 WeakPolarHBondContact CB-OG 3.25Å
150S84.4Confident83.8Confident4 Ų459.1 Ų59.13%0.02829%0.292CS..EExtended strand (participates in β ladder)trans-145.6152.8-172.3-174.50000112E152 S157 D174S150-E152 WeakPolarHBondContact OG-CG 3.14Å; S150-E152 PolarHBondContact OG-N 2.78Å; S150-S157 PolarHBondContact N-O 3.36Å; S150-S157 PolarHBondContact O-N 3.04Å; S150-S157 PolarHBondContact O-OG 3.04Å; S150-D174 WeakPolarHBondContact CA-OD1 3.28Å; S150-D174 WeakPolarHBondContact CB-OD1 3.43Å; S150-D174 PolarHBondContact OG-OD1 2.96Å
151N81.9Confident83.7Confident71 Ų7161 Ų6138%0.3830%0.3SS..  trans-104.84.9171.772.222.1000114.6K153 G154 Y155 E196N151-K153 PolarHBondContact O-N 2.85Å; N151-G154 WeakPolarHBondContact O-CA 3.44Å; N151-G154 PolarHBondContact O-N 2.99Å; N151-Y155 WeakPolarHBondContact CA-O 3.47Å; N151-E196 HydrophobicContact CB-CG 4.42Å; N151-E196 PolarHBondContact N-OE1 3.19Å; N151-E196 PolarHBondContact ND2-OE1 2.79Å; N151-E196 VanDerWaalsContact ND2-OE1 3.16Å; N151-E196 PolarHBondContact OD1-OE1 3.31Å
152E81.8Confident83.5Confident110 Ų11064 Ų6451%0.51432%0.324SS..THydrogen-bonded Turntrans-50-29.5-175-79.9176.5157.100114.3R148 S150 G154R148-E152 IonicContact CZ-OE1 2.82Å; R148-E152 IonicContact CZ-OE2 3.02Å; R148-E152 IonicContact NH1-OE1 3.63Å; R148-E152 IonicContact NH1-OE2 3.72Å; R148-E152 PolarHBondContact NH1-OE2 3.17Å; R148-E152 IonicContact NH2-OE1 2.85Å; R148-E152 PolarHBondContact NH2-OE1 2.97Å; R148-E152 IonicContact NH2-OE2 2.74Å; R148-E152 PolarHBondContact NH2-OE2 3.01Å; R148-E152 VanDerWaalsContact NH2-OE2 3.11Å; S150-E152 WeakPolarHBondContact OG-CG 3.14Å; S150-E152 PolarHBondContact OG-N 2.78Å; E152-G154 PolarHBondContact O-N 2.82Å
153K75.1Confident83.3Confident133 Ų13359.4 Ų59.458%0.57831%0.314SS*.THydrogen-bonded Turntrans-79.58.5179.8-62179.3-178.51710113.6N151 Y155N151-K153 PolarHBondContact O-N 2.85Å; K153-Y155 HydrophobicContact CB-CD1 4Å; K153-Y155 HydrophobicContact CB-CE1 3.6Å; K153-Y155 VanDerWaalsContact O-CD1 3.27Å; K153-Y155 WeakPolarHBondContact O-CD1 3.34Å; K153-Y155 PolarHBondContact O-N 2.78Å
154G77.1Confident83.2Confident76 Ų7655.2 Ų55.278%0.78430%0.299SS*.SBendtrans791.3-171.400000113.9N151 E152N151-G154 WeakPolarHBondContact O-CA 3.44Å; N151-G154 PolarHBondContact O-N 2.99Å; E152-G154 PolarHBondContact O-N 2.82Å
155Y75.3Confident83.2Confident127 Ų12755 Ų5550%0.49830%0.296SS..SBendtrans-147.9153.3175.362-89.3000110.2N151 K153 S157N151-Y155 WeakPolarHBondContact CA-O 3.47Å; K153-Y155 HydrophobicContact CB-CD1 4Å; K153-Y155 HydrophobicContact CB-CE1 3.6Å; K153-Y155 VanDerWaalsContact O-CD1 3.27Å; K153-Y155 WeakPolarHBondContact O-CD1 3.34Å; K153-Y155 PolarHBondContact O-N 2.78Å; Y155-S157 PolarHBondContact O-N 3.48Å
156F77.3Confident83.3Confident23 Ų2351.4 Ų51.410%0.10128%0.283CS..  trans-67.6122.7176.9-175.9-100.3000111C149 V158 L199 A203 L233C149-F156 HydrophobicContact CB-CE2 3.92Å; C149-F156 HydrophobicContact CB-CZ 3.86Å; F156-V158 HydrophobicContact CE1-CG2 3.76Å; F156-V158 HydrophobicContact CZ-CG2 4.09Å; F156-L199 HydrophobicContact CB-CD1 3.67Å; F156-L199 HydrophobicContact CD1-CB 4.07Å; F156-L199 HydrophobicContact CD1-CD1 4.48Å; F156-L199 HydrophobicContact CD2-CB 3.62Å; F156-L199 HydrophobicContact CD2-CD1 3.74Å; F156-L199 HydrophobicContact CD2-CG 4.33Å; F156-L199 HydrophobicContact CE1-CB 4.01Å; F156-L199 HydrophobicContact CE2-CB 3.56Å; F156-L199 HydrophobicContact CG-CB 3.88Å; F156-L199 HydrophobicContact CG-CD1 3.71Å; F156-L199 HydrophobicContact CG-CG 4.35Å; F156-L199 HydrophobicContact CZ-CB 3.76Å; F156-A203 HydrophobicContact CE1-CB 4.35Å; F156-L233 HydrophobicContact CD1-CD2 3.72Å; F156-L233 HydrophobicContact CE1-CD2 3.58Å
157S76.3Confident83.3Confident17 Ų1752.3 Ų52.312%0.11929%0.287CS..EExtended strand (participates in β ladder)trans-133.6143.4179.369.50000110.6C149 S150 Y155C149-S157 WeakPolarHBondContact CA-O 3.49Å; S150-S157 PolarHBondContact N-O 3.36Å; S150-S157 PolarHBondContact O-N 3.04Å; S150-S157 PolarHBondContact O-OG 3.04Å; Y155-S157 PolarHBondContact O-N 3.48Å
158V80.7Confident83.4Confident41 Ų4156.8 Ų56.825%0.24831%0.311CS..EExtended strand (participates in β ladder)trans-109.9125171.6-175.10000107F147 R148 F156 A203 L233F147-V158 HydrophobicContact CB-CG1 3.95Å; F147-V158 HydrophobicContact CD1-CG1 4.23Å; F147-V158 HydrophobicContact CG-CG1 4.45Å; R148-V158 WeakPolarHBondContact O-CA 3.46Å; F156-V158 HydrophobicContact CE1-CG2 3.76Å; F156-V158 HydrophobicContact CZ-CG2 4.09Å; V158-A203 HydrophobicContact CG2-CB 4.36Å; V158-L233 HydrophobicContact CB-CD1 4.41Å; V158-L233 HydrophobicContact CG2-CD1 3.86Å; V158-L233 HydrophobicContact CG2-CD2 4.36Å
159S81.8Confident83.5Confident46 Ų4655.2 Ų55.232%0.32231%0.307SS..EExtended strand (participates in β ladder)trans-128.7132.9-179.556.80000110.4F147 R148F147-S159 CarbonylContact C-O 3.55Å; F147-S159 VanDerWaalsContact CA-O 3.27Å; F147-S159 WeakPolarHBondContact CA-O 3.23Å; R148-S159 PolarHBondContact N-O 2.74Å; R148-S159 PolarHBondContact O-N 3.2Å; R148-S159 PolarHBondContact O-OG 3.49Å
160E83.4Confident83.8Confident98 Ų9855.7 Ų55.746%0.45831%0.309SS..EExtended strand (participates in β ladder)trans-79135.5176.3-174.3167.5-170.100110.4R145 F147R145-E160 IonicContact CZ-OE1 3.77Å; R145-E160 VanDerWaalsContact CZ-OE1 3.22Å; R145-E160 IonicContact CZ-OE2 3.63Å; R145-E160 IonicContact NE-OE1 3.18Å; R145-E160 PolarHBondContact NE-OE1 3.11Å; R145-E160 IonicContact NH2-OE1 2.77Å; R145-E160 PolarHBondContact NH2-OE1 2.9Å; R145-E160 IonicContact NH2-OE2 3.75Å; R145-E160 PolarHBondContact NH2-OE2 2.89Å; F147-E160 HydrophobicContact CD1-CB 3.78Å; F147-E160 HydrophobicContact CD1-CG 4.16Å; F147-E160 HydrophobicContact CE1-CB 3.63Å; F147-E160 HydrophobicContact CE1-CG 3.71Å; F147-E160 HydrophobicContact CZ-CB 4.49Å; F147-E160 HydrophobicContact CZ-CG 4.09Å
161K87.6Confident84.1Confident57 Ų5756.6 Ų56.625%0.24832%0.317CS..PPolyproline II helixtrans-84152.7169.7-67.4-70.5-169.11480109.6L146 F165 D169 M176L146-K161 HydrophobicContact CB-CB 4.2Å; L146-K161 HydrophobicContact CD2-CB 4.35Å; L146-K161 HydrophobicContact CD2-CG 4.16Å; L146-K161 HydrophobicContact CG-CB 4.45Å; L146-K161 HydrophobicContact CG-CG 4.31Å; L146-K161 PolarHBondContact O-N 2.74Å; K161-F165 HydrophobicContact CB-CB 4.32Å; K161-D169 IonicContact NZ-OD1 3.38Å; K161-D169 PolarHBondContact NZ-OD1 3.23Å; K161-M176 HydrophobicContact CG-CE 4.29Å
162C83.5Confident84.5Confident107 Ų10755.3 Ų55.372%0.72331%0.31SS*.PPolyproline II helixtrans-55.6152.7173.1-63.10000110.6D164 F165C162-D164 PolarHBondContact O-N 2.97Å; C162-F165 WeakPolarHBondContact O-CD1 3.48Å; C162-F165 PolarHBondContact O-N 3.39Å
163S82.3Confident84.9Confident76 Ų7653.4 Ų53.453%0.53130%0.304SS..SBendtrans-58.2-14.7-179.658.80000114.8
164D85Confident85.7Confident27 Ų2747.2 Ų47.214%0.14428%0.276CS..SBendtrans-104.546.4-179.1-172.538.5000110.8N42 C47 R49 C162N42-D164 HydrophobicContact CB-CB 4.08Å; N42-D164 WeakPolarHBondContact CB-OD1 3.19Å; N42-D164 PolarHBondContact ND2-OD1 2.9Å; C47-D164 HydrophobicContact CB-CB 4.35Å; R49-D164 IonicContact CZ-OD1 3.12Å; R49-D164 IonicContact CZ-OD2 2.8Å; R49-D164 IonicContact NH1-OD1 2.68Å; R49-D164 PolarHBondContact NH1-OD1 2.92Å; R49-D164 IonicContact NH1-OD2 3.26Å; R49-D164 PolarHBondContact NH1-OD2 3.4Å; R49-D164 IonicContact NH2-OD2 2.7Å; R49-D164 PolarHBondContact NH2-OD2 3.42Å; C162-D164 PolarHBondContact O-N 2.97Å
165F90.7Very high86.3Confident9 Ų943.6 Ų43.64%0.03924%0.239CC..  trans-75.2154178.657.9-99.3000111.2A144 L146 K161 C162 D169 L178 C266 F267A144-F165 HydrophobicContact CB-CE1 4.4Å; A144-F165 HydrophobicContact CB-CZ 4.1Å; L146-F165 HydrophobicContact CB-CB 4.35Å; L146-F165 HydrophobicContact CB-CD1 3.65Å; L146-F165 HydrophobicContact CB-CD2 4.15Å; L146-F165 HydrophobicContact CB-CE1 3.91Å; L146-F165 HydrophobicContact CB-CE2 4.38Å; L146-F165 HydrophobicContact CB-CG 3.78Å; L146-F165 HydrophobicContact CB-CZ 4.26Å; L146-F165 HydrophobicContact CD2-CB 3.68Å; L146-F165 HydrophobicContact CD2-CD1 4.44Å; L146-F165 HydrophobicContact CD2-CD2 3.75Å; L146-F165 HydrophobicContact CD2-CG 3.7Å; L146-F165 HydrophobicContact CG-CG 4.39Å; K161-F165 HydrophobicContact CB-CB 4.32Å; C162-F165 WeakPolarHBondContact O-CD1 3.48Å; C162-F165 PolarHBondContact O-N 3.39Å; F165-D169 WeakPolarHBondContact CA-OD2 3.21Å; F165-L178 HydrophobicContact CE2-CD1 4.09Å; F165-L178 HydrophobicContact CZ-CD1 3.73Å; F165-C266 HydrophobicContact CE2-CB 4.45Å; F165-C266 HydrophobicContact CZ-CB 4.48Å; F165-F267 AromaticContact CD2-CD1 3.65Å; F165-F267 HydrophobicContact CD2-CD1 3.65Å; F165-F267 AromaticContact CD2-CE1 3.52Å; F165-F267 HydrophobicContact CD2-CE1 3.52Å; F165-F267 HydrophobicContact CD2-CZ 4.29Å; F165-F267 AromaticContact CE2-CD1 3.82Å; F165-F267 HydrophobicContact CE2-CD1 3.82Å; F165-F267 AromaticContact CE2-CE1 3.71Å; F165-F267 HydrophobicContact CE2-CE1 3.71Å; F165-F267 HydrophobicContact CE2-CG 4.31Å; F165-F267 HydrophobicContact CE2-CZ 4.08Å
166C91.3Very high87.1Confident2 Ų237.5 Ų37.51%0.01422%0.215CC..  trans-128.9174.5-177.367.60000111.8Q4 D168 D169Q4-C166 HydrophobicContact CB-CB 3.82Å; C166-D168 PolarHBondContact O-N 3.49Å; C166-D169 PolarHBondContact N-OD2 3.11Å; C166-D169 WeakPolarHBondContact O-CB 3.33Å; C166-D169 PolarHBondContact O-N 3.22Å; C166-D169 PolarHBondContact SG-OD2 3.09Å; C166-D169 VanDerWaalsContact SG-OD2 3.42Å
167Q91.2Very high87.8Confident19 Ų1936.9 Ų36.99%0.08921%0.213CC..G310 helixtrans-59-33.1179.7-177.9172.83.600112.4D169 L170 W270 G271 F273Q167-D169 PolarHBondContact O-N 3.48Å; Q167-L170 VanDerWaalsContact O-CB 3.28Å; Q167-L170 WeakPolarHBondContact O-CB 3.33Å; Q167-L170 WeakPolarHBondContact O-CG 3.48Å; Q167-L170 PolarHBondContact O-N 2.93Å; Q167-W270 HydrophobicContact CB-CE3 4.03Å; Q167-W270 HydrophobicContact CB-CZ3 4.05Å; Q167-W270 HydrophobicContact CG-CD2 4.45Å; Q167-W270 HydrophobicContact CG-CE3 3.86Å; Q167-W270 HydrophobicContact CG-CH2 4.01Å; Q167-W270 HydrophobicContact CG-CZ3 3.64Å; Q167-G271 PolarHBondContact NE2-O 3.43Å; Q167-G271 PolarHBondContact OE1-O 3.2Å; Q167-F273 HydrophobicContact CG-CD1 4.26Å; Q167-F273 HydrophobicContact CG-CE1 3.78Å; Q167-F273 HydrophobicContact CG-CZ 4.25Å
168D89.8Confident88.6Confident97 Ų9736 Ų3652%0.51921%0.207SC..G310 helixtrans-70.3-10.5177.7-70.1-7.6000113.3C166 L170C166-D168 PolarHBondContact O-N 3.49Å; D168-L170 PolarHBondContact O-N 3.13Å
169D91.3Very high88.9Confident20 Ų2035.2 Ų35.211%0.10720%0.201CC..G310 helixtrans-74.2-11.1169.1-74.1-68.9000112.7L146 K161 F165 C166 Q167 A171 M176L146-D169 HydrophobicContact CD2-CB 3.94Å; K161-D169 IonicContact NZ-OD1 3.38Å; K161-D169 PolarHBondContact NZ-OD1 3.23Å; F165-D169 WeakPolarHBondContact CA-OD2 3.21Å; C166-D169 PolarHBondContact N-OD2 3.11Å; C166-D169 WeakPolarHBondContact O-CB 3.33Å; C166-D169 PolarHBondContact O-N 3.22Å; C166-D169 PolarHBondContact SG-OD2 3.09Å; C166-D169 VanDerWaalsContact SG-OD2 3.42Å; Q167-D169 PolarHBondContact O-N 3.48Å; D169-A171 PolarHBondContact O-N 3.3Å; D169-M176 WeakPolarHBondContact O-CE 3.47Å
170L92.1Very high89.3Confident10 Ų1033.6 Ų33.65%0.05219%0.189CC..  trans-81.690.7174.7-57.8179.1000110.7L146 Q167 D168 M176 W187 F263 F267 W270 F273L146-L170 HydrophobicContact CD1-CD2 4.44Å; Q167-L170 VanDerWaalsContact O-CB 3.28Å; Q167-L170 WeakPolarHBondContact O-CB 3.33Å; Q167-L170 WeakPolarHBondContact O-CG 3.48Å; Q167-L170 PolarHBondContact O-N 2.93Å; D168-L170 PolarHBondContact O-N 3.13Å; L170-M176 HydrophobicContact CD2-CB 3.79Å; L170-M176 HydrophobicContact CD2-CG 3.74Å; L170-W187 HydrophobicContact CB-CD2 4.31Å; L170-W187 HydrophobicContact CB-CE3 4.26Å; L170-W187 HydrophobicContact CB-CH2 3.88Å; L170-W187 HydrophobicContact CB-CZ2 3.92Å; L170-W187 HydrophobicContact CB-CZ3 4.06Å; L170-W187 HydrophobicContact CD1-CD2 4.44Å; L170-W187 HydrophobicContact CD1-CZ2 4.49Å; L170-W187 HydrophobicContact CD2-CD2 4.21Å; L170-W187 HydrophobicContact CD2-CE3 4.37Å; L170-W187 HydrophobicContact CD2-CG 4.33Å; L170-F263 HydrophobicContact CD1-CE1 3.99Å; L170-F263 HydrophobicContact CD1-CZ 4.1Å; L170-F263 HydrophobicContact CD2-CZ 4.17Å; L170-F267 HydrophobicContact CD1-CE1 4.32Å; L170-F267 HydrophobicContact CD1-CZ 4.13Å; L170-F267 HydrophobicContact CD2-CE1 4.18Å; L170-F267 HydrophobicContact CD2-CZ 3.95Å; L170-F267 HydrophobicContact CG-CE1 4.19Å; L170-F267 HydrophobicContact CG-CZ 4.27Å; L170-W270 HydrophobicContact CD1-CH2 3.43Å; L170-W270 VanDerWaalsContact CD1-CH2 3.43Å; L170-W270 HydrophobicContact CD1-CZ3 3.57Å; L170-F273 HydrophobicContact CB-CE1 4.49Å; L170-F273 HydrophobicContact CD1-CE1 4.36Å; L170-F273 HydrophobicContact CD1-CZ 4.1Å
171A90.9Very high89.3Confident23 Ų2329.3 Ų29.319%0.1917%0.171CC..  trans-83.2126.7-175.100000112.4D169 D173 D174 W187D169-A171 PolarHBondContact O-N 3.3Å; A171-D173 WeakPolarHBondContact CB-OD1 3.12Å; A171-D173 PolarHBondContact O-N 3.27Å; A171-D173 VanDerWaalsContact O-N 3.16Å; A171-D174 HydrophobicContact CB-CB 4.28Å; A171-D174 PolarHBondContact O-N 2.93Å; A171-W187 VanDerWaalsContact O-CZ3 3.29Å; A171-W187 WeakPolarHBondContact O-CZ3 3.48Å
172D90.6Very high89.1Confident44 Ų4432 Ų3224%0.23518%0.183CC..THydrogen-bonded Turntrans-63.2-23-174.7-79.9-15.8000114.6G189 T190 Q191 K256D172-G189 CarbonylContact O-C 3.54Å; D172-G189 WeakPolarHBondContact O-CA 3.35Å; D172-T190 PolarHBondContact O-N 3.18Å; D172-Q191 WeakPolarHBondContact O-CA 3.2Å; D172-Q191 WeakPolarHBondContact O-CB 3.39Å; D172-Q191 PolarHBondContact O-N 3.22Å; D172-K256 WeakPolarHBondContact OD1-CD 3.3Å; D172-K256 WeakPolarHBondContact OD1-CE 3.33Å; D172-K256 IonicContact OD1-NZ 3.65Å; D172-K256 PolarHBondContact OD1-NZ 3.41Å; D172-K256 IonicContact OD2-NZ 3.8Å; D172-K256 PolarHBondContact OD2-NZ 3.33Å
173D90.6Very high89.2Confident70 Ų7028.3 Ų28.337%0.37416%0.155SC..THydrogen-bonded Turntrans-88.6-6.5177.752.6-15.3000113.5A171 Q191 T192A171-D173 WeakPolarHBondContact CB-OD1 3.12Å; A171-D173 PolarHBondContact O-N 3.27Å; A171-D173 VanDerWaalsContact O-N 3.16Å; D173-Q191 HydrophobicContact CB-CB 4.49Å; D173-T192 WeakPolarHBondContact O-CG2 3.35Å
174D90.8Very high89.4Confident2 Ų224.7 Ų24.71%0.01113%0.13CC..SBendtrans-127.9172.9-175.9-66.3-57.9000114.9R148 S150 A171 G189 T192R148-D174 HydrophobicContact CG-CB 4.32Å; R148-D174 IonicContact CZ-OD2 3.2Å; R148-D174 IonicContact NE-OD2 2.78Å; R148-D174 PolarHBondContact NE-OD2 2.99Å; R148-D174 IonicContact NH2-OD2 2.79Å; R148-D174 PolarHBondContact NH2-OD2 2.78Å; S150-D174 WeakPolarHBondContact CA-OD1 3.28Å; S150-D174 WeakPolarHBondContact CB-OD1 3.43Å; S150-D174 PolarHBondContact OG-OD1 2.96Å; A171-D174 HydrophobicContact CB-CB 4.28Å; A171-D174 PolarHBondContact O-N 2.93Å; D174-G189 PolarHBondContact O-N 3.25Å; D174-T192 WeakPolarHBondContact O-CG2 3.49Å
175I90.4Very high89.6Confident0 Ų023.6 Ų23.60%012%0.124CC..EExtended strand (participates in β ladder)trans-105.1132.4173.9-64169.2000109.3C149 L177 M186 W187 T192 E196 I197 S200C149-I175 HydrophobicContact CB-CB 4.14Å; C149-I175 HydrophobicContact CB-CG2 4.47Å; C149-I175 PolarHBondContact N-O 3.42Å; C149-I175 PolarHBondContact O-N 3.41Å; I175-L177 HydrophobicContact CG2-CD2 4.28Å; I175-M186 HydrophobicContact CG2-CG 3.55Å; I175-M186 HydrophobicContact CG2-SD 4.15Å; I175-W187 WeakPolarHBondContact CA-O 3.35Å; I175-T192 HydrophobicContact CG1-CG2 3.8Å; I175-E196 HydrophobicContact CD1-CB 3.95Å; I175-E196 WeakPolarHBondContact CD1-O 3.31Å; I175-I197 HydrophobicContact CD1-CB 4.16Å; I175-I197 HydrophobicContact CD1-CG1 3.75Å; I175-I197 VanDerWaalsContact CD1-N 3.33Å; I175-S200 WeakPolarHBondContact CD1-OG 3.29Å
176M92.7Very high89.6Confident0 Ų023.4 Ų23.40%012%0.123CC..EExtended strand (participates in β ladder)trans-112.6128.4177.6-54.1-62.3-67.300109.8L146 F147 R148 K161 D169 L170 W187L146-M176 HydrophobicContact CD1-CB 4.07Å; L146-M176 HydrophobicContact CD1-CE 4.01Å; L146-M176 HydrophobicContact CD2-CE 3.67Å; L146-M176 HydrophobicContact CG-CE 3.68Å; F147-M176 CarbonylContact O-C 3.49Å; F147-M176 VanDerWaalsContact O-CA 3.28Å; F147-M176 WeakPolarHBondContact O-CA 3.5Å; R148-M176 HydrophobicContact CB-CE 4.03Å; R148-M176 HydrophobicContact CB-SD 3.77Å; R148-M176 HydrophobicContact CG-SD 3.82Å; K161-M176 HydrophobicContact CG-CE 4.29Å; D169-M176 WeakPolarHBondContact O-CE 3.47Å; L170-M176 HydrophobicContact CD2-CB 3.79Å; L170-M176 HydrophobicContact CD2-CG 3.74Å; M176-W187 HydrophobicContact CB-CB 4.25Å; M176-W187 HydrophobicContact CB-CE3 4.27Å; M176-W187 HydrophobicContact CG-CE3 3.96Å; M176-W187 HydrophobicContact CG-CZ3 4.41Å; M176-W187 PolarHBondContact N-O 3.12Å; M176-W187 PolarHBondContact O-N 3.02Å
177L90.8Very high89.7Confident9 Ų923.3 Ų23.35%0.04712%0.122CC..EExtended strand (participates in β ladder)trans-103.3120.4172.9-54.3177.2000108.9L146 F147 C149 I175 Y185 M186 C204L146-L177 CarbonylContact C-O 3.57Å; L146-L177 WeakPolarHBondContact CA-O 3.42Å; F147-L177 HydrophobicContact CB-CB 4.21Å; F147-L177 PolarHBondContact N-O 2.99Å; F147-L177 PolarHBondContact O-N 2.93Å; C149-L177 VanDerWaalsContact SG-CD1 3.6Å; I175-L177 HydrophobicContact CG2-CD2 4.28Å; L177-Y185 CarbonylContact C-O 3.48Å; L177-Y185 VanDerWaalsContact CA-O 3.3Å; L177-Y185 WeakPolarHBondContact CA-O 3.49Å; L177-M186 HydrophobicContact CD2-CB 3.79Å; L177-M186 HydrophobicContact CD2-CG 3.67Å; L177-M186 HydrophobicContact CD2-SD 4.39Å; L177-C204 VanDerWaalsContact CD1-SG 3.6Å; L177-C204 WeakPolarHBondContact CD2-SG 3.3Å
178L92.3Very high89.6Confident0 Ų023.5 Ų23.50%013%0.125CC..EExtended strand (participates in β ladder)trans-111114.8174.9176.169.7000109.2R145 L146 F165 V184 Y185 F263 C266 F267R145-L178 WeakPolarHBondContact O-CA 3.01Å; L146-L178 HydrophobicContact CB-CD1 4.47Å; L146-L178 HydrophobicContact CD1-CB 4.09Å; L146-L178 HydrophobicContact CD1-CD1 4.3Å; F165-L178 HydrophobicContact CE2-CD1 4.09Å; F165-L178 HydrophobicContact CZ-CD1 3.73Å; L178-V184 CarbonylContact O-C 3.56Å; L178-V184 WeakPolarHBondContact O-CA 3.25Å; L178-Y185 HydrophobicContact CD2-CD2 4.26Å; L178-Y185 PolarHBondContact N-O 3.25Å; L178-Y185 PolarHBondContact O-N 2.94Å; L178-F263 HydrophobicContact CB-CD2 4.28Å; L178-F263 HydrophobicContact CB-CE2 3.9Å; L178-F263 HydrophobicContact CD2-CD2 3.42Å; L178-F263 VanDerWaalsContact CD2-CD2 3.42Å; L178-F263 HydrophobicContact CD2-CE2 3.63Å; L178-F263 HydrophobicContact CD2-CG 4.05Å; L178-F263 HydrophobicContact CD2-CZ 4.41Å; L178-F263 HydrophobicContact CG-CD2 4.48Å; L178-F263 HydrophobicContact CG-CE2 4.44Å; L178-C266 HydrophobicContact CD1-CB 4.21Å; L178-C266 HydrophobicContact CD2-CB 3.78Å; L178-F267 HydrophobicContact CD2-CE2 3.92Å; L178-F267 HydrophobicContact CD2-CZ 4.35Å
179D88.9Confident89.6Confident23 Ų2319 Ų1912%0.12310%0.101CC..EExtended strand (participates in β ladder)trans-90.3126.8164.3-160.1-17.6000108.6A144 R145 G181 W209A144-D179 CarbonylContact C-O 3.31Å; A144-D179 WeakPolarHBondContact CA-O 3.19Å; R145-D179 PolarHBondContact N-O 2.93Å; R145-D179 PolarHBondContact O-N 3.32Å; D179-G181 WeakPolarHBondContact OD1-CA 3.18Å; D179-G181 PolarHBondContact OD1-N 3.09Å; D179-W209 HydrophobicContact CB-CE3 4.35Å; D179-W209 HydrophobicContact CB-CH2 3.37Å; D179-W209 HydrophobicContact CB-CZ2 4.32Å; D179-W209 HydrophobicContact CB-CZ3 3.41Å; D179-W209 VanDerWaalsContact CB-CZ3 3.41Å; D179-W209 WeakPolarHBondContact OD2-CH2 3.24Å
180N88.8Confident89.5Confident12 Ų1222.8 Ų22.86%0.06413%0.125CC..  trans-108.710.9170.374.6-2.6000112.6K182 E183N180-K182 PolarHBondContact O-N 3.26Å; N180-K182 WeakPolarHBondContact OD1-CA 3.08Å; N180-K182 PolarHBondContact OD1-N 3.15Å; N180-E183 PolarHBondContact N-O 3Å; N180-E183 VanDerWaalsContact N-O 3.17Å; N180-E183 PolarHBondContact OD1-N 2.83Å; N180-E183 PolarHBondContact OD1-O 2.77Å
181G84Confident89.3Confident8 Ų829 Ų298%0.08215%0.154CC..SBendtrans73.98-176.400000114.3Y143 D179 R249Y143-G181 VanDerWaalsContact CB-CA 3.48Å; D179-G181 WeakPolarHBondContact OD1-CA 3.18Å; D179-G181 PolarHBondContact OD1-N 3.09Å; G181-R249 VanDerWaalsContact C-CZ 3.46Å; G181-R249 PolarHBondContact O-NE 2.85Å; G181-R249 PolarHBondContact O-NH1 3.41Å; G181-R249 PolarHBondContact O-NH2 3.1Å
182K83.8Confident89.1Confident113 Ų11329 Ų2949%0.49115%0.152SC..SBendtrans-125.4-44168.5-71.3179.7-179.3168.50110.4E139 N180 R249E139-K182 IonicContact OE2-NZ 3.74Å; N180-K182 PolarHBondContact O-N 3.26Å; N180-K182 WeakPolarHBondContact OD1-CA 3.08Å; N180-K182 PolarHBondContact OD1-N 3.15Å; K182-R249 WeakPolarHBondContact O-CD 3.46Å
183E84.8Confident88.9Confident31 Ų3128.9 Ų28.915%0.14515%0.154CC..EExtended strand (participates in β ladder)trans-137.5161.9179.7-60.9-174.4144.200109.9N180 Y185 K250 R252N180-E183 PolarHBondContact N-O 3Å; N180-E183 VanDerWaalsContact N-O 3.17Å; N180-E183 PolarHBondContact OD1-N 2.83Å; N180-E183 PolarHBondContact OD1-O 2.77Å; E183-Y185 HydrophobicContact CB-CE2 4.08Å; E183-Y185 PolarHBondContact OE2-OH 3.27Å; E183-K250 HydrophobicContact CG-CB 4.44Å; E183-R252 IonicContact OE1-CZ 3.28Å; E183-R252 VanDerWaalsContact OE1-CZ 3.28Å; E183-R252 IonicContact OE1-NE 2.84Å; E183-R252 PolarHBondContact OE1-NE 2.95Å; E183-R252 IonicContact OE1-NH2 2.82Å; E183-R252 PolarHBondContact OE1-NH2 3.14Å; E183-R252 VanDerWaalsContact OE2-CD 3.24Å; E183-R252 WeakPolarHBondContact OE2-CD 3.33Å; E183-R252 IonicContact OE2-CZ 3.73Å; E183-R252 IonicContact OE2-NE 2.79Å; E183-R252 PolarHBondContact OE2-NE 3.37Å; E183-R252 IonicContact OE2-NH2 3.87Å
184V86Confident88.4Confident0 Ų032 Ų320%017%0.166CC..EExtended strand (participates in β ladder)trans-114.3125.7174172.90000107.3L178 W209 R249 K250 L251 R252L178-V184 CarbonylContact O-C 3.56Å; L178-V184 WeakPolarHBondContact O-CA 3.25Å; V184-W209 HydrophobicContact CB-CE3 3.96Å; V184-W209 HydrophobicContact CG1-CE3 3.47Å; V184-W209 VanDerWaalsContact CG1-CE3 3.47Å; V184-W209 HydrophobicContact CG1-CZ3 3.93Å; V184-W209 HydrophobicContact CG2-CB 4.12Å; V184-W209 HydrophobicContact CG2-CD2 3.98Å; V184-W209 HydrophobicContact CG2-CE3 3.23Å; V184-W209 HydrophobicContact CG2-CG 4.38Å; V184-W209 HydrophobicContact CG2-CZ3 3.85Å; V184-R249 HydrophobicContact CG2-CB 4.01Å; V184-R249 HydrophobicContact CG2-CG 4.48Å; V184-K250 PolarHBondContact N-O 2.86Å; V184-L251 HydrophobicContact CB-CD1 4.13Å; V184-L251 HydrophobicContact CG1-CD1 3.64Å; V184-L251 CarbonylContact O-C 3.08Å; V184-L251 VanDerWaalsContact O-CA 3.29Å; V184-L251 WeakPolarHBondContact O-CA 3.48Å; V184-R252 PolarHBondContact O-N 3.07Å
185Y90.2Very high87.8Confident4 Ų436.2 Ų36.22%0.01619%0.192CC..EExtended strand (participates in β ladder)trans-104.2128.3176.5-58.1-87.9000109.6L177 L178 E183 R252 V254 P260 C262 F263L177-Y185 CarbonylContact C-O 3.48Å; L177-Y185 VanDerWaalsContact CA-O 3.3Å; L177-Y185 WeakPolarHBondContact CA-O 3.49Å; L178-Y185 HydrophobicContact CD2-CD2 4.26Å; L178-Y185 PolarHBondContact N-O 3.25Å; L178-Y185 PolarHBondContact O-N 2.94Å; E183-Y185 HydrophobicContact CB-CE2 4.08Å; E183-Y185 PolarHBondContact OE2-OH 3.27Å; Y185-R252 CarbonylContact C-O 3.53Å; Y185-R252 WeakPolarHBondContact CA-O 3.39Å; Y185-R252 HydrophobicContact CD1-CB 3.75Å; Y185-R252 HydrophobicContact CE1-CB 4.03Å; Y185-R252 HydrophobicContact CE1-CG 4.38Å; Y185-V254 HydrophobicContact CD1-CG2 3.52Å; Y185-V254 HydrophobicContact CG-CG2 4.07Å; Y185-P260 HydrophobicContact CD1-CG 4.46Å; Y185-P260 HydrophobicContact CE1-CG 4.07Å; Y185-C262 WeakPolarHBondContact OH-CB 3.35Å; Y185-F263 VanDerWaalsContact CB-CD2 3.47Å; Y185-F263 HydrophobicContact CD1-CB 4.28Å; Y185-F263 HydrophobicContact CD1-CD2 4.22Å; Y185-F263 HydrophobicContact CD2-CD2 4.03Å; Y185-F263 HydrophobicContact CE1-CB 4.42Å; Y185-F263 HydrophobicContact CG-CB 4.34Å; Y185-F263 AromaticContact CG-CD2 3.65Å; Y185-F263 HydrophobicContact CG-CD2 3.65Å; Y185-F263 HydrophobicContact CG-CG 4.49Å
186M90.1Very high87.3Confident5 Ų536.7 Ų36.73%0.02519%0.194CC..EExtended strand (participates in β ladder)trans-100.298.1168.3-175.8174.178.200108.2I175 L177 V188 L201 L251 R252 L253 V254I175-M186 HydrophobicContact CG2-CG 3.55Å; I175-M186 HydrophobicContact CG2-SD 4.15Å; L177-M186 HydrophobicContact CD2-CB 3.79Å; L177-M186 HydrophobicContact CD2-CG 3.67Å; L177-M186 HydrophobicContact CD2-SD 4.39Å; M186-V188 HydrophobicContact CE-CG2 4.01Å; M186-V188 HydrophobicContact CG-CG2 4.17Å; M186-L201 HydrophobicContact CE-CD2 3.54Å; M186-L201 HydrophobicContact CE-CG 3.85Å; M186-L201 HydrophobicContact SD-CD2 3.83Å; M186-L201 HydrophobicContact SD-CG 4.02Å; M186-L251 HydrophobicContact CB-CD1 4.08Å; M186-R252 PolarHBondContact N-O 3.29Å; M186-L253 HydrophobicContact CE-CD1 3.27Å; M186-V254 PolarHBondContact O-N 2.95Å
187W94Very high86.8Confident0 Ų038.1 Ų38.10%020%0.202CC..EExtended strand (participates in β ladder)trans-81.8123.8173-175.199.1000109.3L170 A171 I175 M176 G189 V254 K256 E259 F263 F273L170-W187 HydrophobicContact CB-CD2 4.31Å; L170-W187 HydrophobicContact CB-CE3 4.26Å; L170-W187 HydrophobicContact CB-CH2 3.88Å; L170-W187 HydrophobicContact CB-CZ2 3.92Å; L170-W187 HydrophobicContact CB-CZ3 4.06Å; L170-W187 HydrophobicContact CD1-CD2 4.44Å; L170-W187 HydrophobicContact CD1-CZ2 4.49Å; L170-W187 HydrophobicContact CD2-CD2 4.21Å; L170-W187 HydrophobicContact CD2-CE3 4.37Å; L170-W187 HydrophobicContact CD2-CG 4.33Å; A171-W187 VanDerWaalsContact O-CZ3 3.29Å; A171-W187 WeakPolarHBondContact O-CZ3 3.48Å; I175-W187 WeakPolarHBondContact CA-O 3.35Å; M176-W187 HydrophobicContact CB-CB 4.25Å; M176-W187 HydrophobicContact CB-CE3 4.27Å; M176-W187 HydrophobicContact CG-CE3 3.96Å; M176-W187 HydrophobicContact CG-CZ3 4.41Å; M176-W187 PolarHBondContact N-O 3.12Å; M176-W187 PolarHBondContact O-N 3.02Å; W187-G189 VanDerWaalsContact CZ3-CA 3.41Å; W187-V254 WeakPolarHBondContact CA-O 3.24Å; W187-V254 HydrophobicContact CB-CB 4.36Å; W187-K256 HydrophobicContact CH2-CD 4.39Å; W187-K256 HydrophobicContact CZ2-CB 3.73Å; W187-K256 HydrophobicContact CZ2-CD 3.95Å; W187-K256 HydrophobicContact CZ2-CG 3.85Å; W187-E259 PolarHBondContact NE1-OE1 2.92Å; W187-F263 HydrophobicContact CB-CE2 4.04Å; W187-F263 HydrophobicContact CB-CZ 3.86Å; W187-F263 AromaticContact CD1-CE1 3.98Å; W187-F263 AromaticContact CD1-CZ 3.69Å; W187-F263 AromaticContact CG-CZ 3.98Å; W187-F263 HydrophobicContact CG-CZ 3.98Å; W187-F273 HydrophobicContact CZ2-CE1 4.46Å; W187-F273 HydrophobicContact CZ2-CZ 4.19Å
188V89.6Confident86.3Confident23 Ų2343.6 Ų43.614%0.13923%0.225CC..EExtended strand (participates in β ladder)trans-109.2114-175.4-179.70000109.6M186 T192 I197 L253 V254M186-V188 HydrophobicContact CE-CG2 4.01Å; M186-V188 HydrophobicContact CG-CG2 4.17Å; V188-T192 HydrophobicContact CG1-CG2 4.49Å; V188-T192 WeakPolarHBondContact CG1-OG1 3.11Å; V188-I197 HydrophobicContact CG1-CD1 4.03Å; V188-I197 HydrophobicContact CG1-CG1 4.15Å; V188-L253 HydrophobicContact CG2-CD1 3.54Å; V188-V254 PolarHBondContact N-O 3.02Å
189G88.6Confident85.7Confident2 Ų244.7 Ų44.72%0.02123%0.231CC..  trans-61.7148.7174.400000112.3D172 D174 W187 Q191 T192D172-G189 CarbonylContact O-C 3.54Å; D172-G189 WeakPolarHBondContact O-CA 3.35Å; D174-G189 PolarHBondContact O-N 3.25Å; W187-G189 VanDerWaalsContact CZ3-CA 3.41Å; G189-Q191 PolarHBondContact O-N 2.85Å; G189-T192 WeakPolarHBondContact O-CB 3.46Å; G189-T192 WeakPolarHBondContact O-CG2 3.45Å; G189-T192 PolarHBondContact O-N 2.99Å; G189-T192 PolarHBondContact O-OG1 2.74Å
190T89Confident85.3Confident99 Ų9943.6 Ų43.661%0.60723%0.225SC*.THydrogen-bonded Turntrans-66.7-19-17450.20000114.4D172 K256D172-T190 PolarHBondContact O-N 3.18Å; T190-K256 HydrophobicContact CG2-CB 4.13Å; T190-K256 HydrophobicContact CG2-CD 4.08Å
191Q89.1Confident84.8Confident142 Ų14244 Ų4466%0.66423%0.227SC*.THydrogen-bonded Turntrans-109.210.6-177.4-58.6-178.369.100112.7D172 D173 G189D172-Q191 WeakPolarHBondContact O-CA 3.2Å; D172-Q191 WeakPolarHBondContact O-CB 3.39Å; D172-Q191 PolarHBondContact O-N 3.22Å; D173-Q191 HydrophobicContact CB-CB 4.49Å; G189-Q191 PolarHBondContact O-N 2.85Å
192T86.8Confident84.3Confident23 Ų2344.4 Ų44.414%0.14123%0.226CC..  trans-70.6146.4-179.650.50000113.5D173 D174 I175 V188 G189D173-T192 WeakPolarHBondContact O-CG2 3.35Å; D174-T192 WeakPolarHBondContact O-CG2 3.49Å; I175-T192 HydrophobicContact CG1-CG2 3.8Å; V188-T192 HydrophobicContact CG1-CG2 4.49Å; V188-T192 WeakPolarHBondContact CG1-OG1 3.11Å; G189-T192 WeakPolarHBondContact O-CB 3.46Å; G189-T192 WeakPolarHBondContact O-CG2 3.45Å; G189-T192 PolarHBondContact O-N 2.99Å; G189-T192 PolarHBondContact O-OG1 2.74Å
193S85.5Confident83.8Confident41 Ų4139.2 Ų39.229%0.28720%0.204SC..  trans-82.4152.4176.772.40000112.8V195 E196 I197S193-V195 PolarHBondContact O-N 2.9Å; S193-V195 VanDerWaalsContact O-N 3.15Å; S193-E196 VanDerWaalsContact CB-OE2 3.32Å; S193-E196 WeakPolarHBondContact CB-OE2 3.41Å; S193-E196 PolarHBondContact N-OE2 3.13Å; S193-E196 PolarHBondContact O-N 2.89Å; S193-E196 VanDerWaalsContact O-N 3.11Å; S193-E196 WeakPolarHBondContact OG-CG 3.4Å; S193-E196 PolarHBondContact OG-N 3.19Å; S193-E196 PolarHBondContact OG-OE2 2.79Å; S193-I197 WeakPolarHBondContact O-CG1 3.42Å; S193-I197 PolarHBondContact O-N 2.82Å; S193-I197 VanDerWaalsContact O-N 3.1Å
194Q79.4Confident83.2Confident135 Ų13537.8 Ų37.863%0.63120%0.198SC*.Hα-helixtrans-58.6-27.3172.2-71.2-65.8-30.100113K198Q194-K198 WeakPolarHBondContact O-CG 3.45Å; Q194-K198 PolarHBondContact O-N 3.11Å; Q194-K198 VanDerWaalsContact O-N 3.16Å
195V80Confident82.2Confident90 Ų9040.9 Ų40.955%0.54521%0.212SC..Hα-helixtrans-69-45.8176.7176.60000110.2S193 I197 K198 L199S193-V195 PolarHBondContact O-N 2.9Å; S193-V195 VanDerWaalsContact O-N 3.15Å; V195-I197 VanDerWaalsContact C-N 3.34Å; V195-I197 PolarHBondContact O-N 3.37Å; V195-K198 PolarHBondContact O-N 2.61Å; V195-L199 HydrophobicContact CG1-CD1 3.85Å; V195-L199 HydrophobicContact CG1-CG 4.41Å; V195-L199 WeakPolarHBondContact O-CB 3.12Å; V195-L199 VanDerWaalsContact O-CG 3.31Å; V195-L199 WeakPolarHBondContact O-CG 3.49Å; V195-L199 PolarHBondContact O-N 2.8Å
196E79Confident80.7Confident10 Ų1043.3 Ų43.35%0.04723%0.225CC..Hα-helixtrans-63.7-39.9177.2-74162.1135.400112.1N151 I175 S193 K198 L199 S200N151-E196 HydrophobicContact CB-CG 4.42Å; N151-E196 PolarHBondContact N-OE1 3.19Å; N151-E196 PolarHBondContact ND2-OE1 2.79Å; N151-E196 VanDerWaalsContact ND2-OE1 3.16Å; N151-E196 PolarHBondContact OD1-OE1 3.31Å; I175-E196 HydrophobicContact CD1-CB 3.95Å; I175-E196 WeakPolarHBondContact CD1-O 3.31Å; S193-E196 VanDerWaalsContact CB-OE2 3.32Å; S193-E196 WeakPolarHBondContact CB-OE2 3.41Å; S193-E196 PolarHBondContact N-OE2 3.13Å; S193-E196 PolarHBondContact O-N 2.89Å; S193-E196 VanDerWaalsContact O-N 3.11Å; S193-E196 WeakPolarHBondContact OG-CG 3.4Å; S193-E196 PolarHBondContact OG-N 3.19Å; S193-E196 PolarHBondContact OG-OE2 2.79Å; E196-K198 PolarHBondContact O-N 2.81Å; E196-L199 PolarHBondContact O-N 2.89Å; E196-S200 VanDerWaalsContact O-CB 3.27Å; E196-S200 WeakPolarHBondContact O-CB 3.4Å; E196-S200 PolarHBondContact O-N 2.87Å; E196-S200 PolarHBondContact O-OG 3.39Å
197I82.9Confident79.1Confident31 Ų3143.5 Ų43.516%0.15923%0.226CC..Hα-helixtrans-58.8-49.5175.5-63.8170.4000110.4I175 V188 S193 V195 L199 S200 L201I175-I197 HydrophobicContact CD1-CB 4.16Å; I175-I197 HydrophobicContact CD1-CG1 3.75Å; I175-I197 VanDerWaalsContact CD1-N 3.33Å; V188-I197 HydrophobicContact CG1-CD1 4.03Å; V188-I197 HydrophobicContact CG1-CG1 4.15Å; S193-I197 WeakPolarHBondContact O-CG1 3.42Å; S193-I197 PolarHBondContact O-N 2.82Å; S193-I197 VanDerWaalsContact O-N 3.1Å; V195-I197 VanDerWaalsContact C-N 3.34Å; V195-I197 PolarHBondContact O-N 3.37Å; I197-L199 PolarHBondContact O-N 2.85Å; I197-S200 PolarHBondContact O-N 3.2Å; I197-L201 HydrophobicContact CG2-CD1 4.12Å; I197-L201 WeakPolarHBondContact O-CB 3.43Å; I197-L201 WeakPolarHBondContact O-CG 3.5Å; I197-L201 PolarHBondContact O-N 3.42Å
198K79.8Confident77.2Confident123 Ų12346 Ų4654%0.53524%0.239SC..Hα-helixtrans-62.3-42.9178.8-73.5175.5-176.6-178.50112.2Q194 V195 E196 K202Q194-K198 WeakPolarHBondContact O-CG 3.45Å; Q194-K198 PolarHBondContact O-N 3.11Å; Q194-K198 VanDerWaalsContact O-N 3.16Å; V195-K198 PolarHBondContact O-N 2.61Å; E196-K198 PolarHBondContact O-N 2.81Å; K198-K202 WeakPolarHBondContact O-CG 3.44Å; K198-K202 PolarHBondContact O-N 2.88Å; K198-K202 VanDerWaalsContact O-N 3.09Å
199L79.4Confident75.3Confident24 Ų2445.9 Ų45.913%0.12624%0.236CC..Hα-helixtrans-69.3-37.6-179.7-70.7175.1000112.3F156 V195 E196 I197 K202 A203 V227F156-L199 HydrophobicContact CB-CD1 3.67Å; F156-L199 HydrophobicContact CD1-CB 4.07Å; F156-L199 HydrophobicContact CD1-CD1 4.48Å; F156-L199 HydrophobicContact CD2-CB 3.62Å; F156-L199 HydrophobicContact CD2-CD1 3.74Å; F156-L199 HydrophobicContact CD2-CG 4.33Å; F156-L199 HydrophobicContact CE1-CB 4.01Å; F156-L199 HydrophobicContact CE2-CB 3.56Å; F156-L199 HydrophobicContact CG-CB 3.88Å; F156-L199 HydrophobicContact CG-CD1 3.71Å; F156-L199 HydrophobicContact CG-CG 4.35Å; F156-L199 HydrophobicContact CZ-CB 3.76Å; V195-L199 HydrophobicContact CG1-CD1 3.85Å; V195-L199 HydrophobicContact CG1-CG 4.41Å; V195-L199 WeakPolarHBondContact O-CB 3.12Å; V195-L199 VanDerWaalsContact O-CG 3.31Å; V195-L199 WeakPolarHBondContact O-CG 3.49Å; V195-L199 PolarHBondContact O-N 2.8Å; E196-L199 PolarHBondContact O-N 2.89Å; I197-L199 PolarHBondContact O-N 2.85Å; L199-K202 WeakPolarHBondContact O-CB 3.46Å; L199-K202 PolarHBondContact O-N 2.99Å; L199-A203 PolarHBondContact O-N 3.2Å; L199-V227 HydrophobicContact CD2-CB 4.37Å; L199-V227 HydrophobicContact CD2-CG1 3.65Å
200S80.1Confident73.3Confident0 Ų046 Ų460%024%0.237CC..Hα-helixtrans-69.4-39.8177.5-560000112C149 I175 E196 I197 K202 A203 C204C149-S200 VanDerWaalsContact CB-OG 3.27Å; C149-S200 WeakPolarHBondContact CB-OG 3.25Å; I175-S200 WeakPolarHBondContact CD1-OG 3.29Å; E196-S200 VanDerWaalsContact O-CB 3.27Å; E196-S200 WeakPolarHBondContact O-CB 3.4Å; E196-S200 PolarHBondContact O-N 2.87Å; E196-S200 PolarHBondContact O-OG 3.39Å; I197-S200 PolarHBondContact O-N 3.2Å; S200-K202 VanDerWaalsContact C-N 3.32Å; S200-K202 PolarHBondContact O-N 3.33Å; S200-A203 WeakPolarHBondContact O-CB 3.26Å; S200-A203 PolarHBondContact O-N 2.97Å; S200-C204 PolarHBondContact O-N 2.87Å; S200-C204 PolarHBondContact O-SG 3.07Å
201L78.7Confident70.9Confident20 Ų2048 Ų4811%0.10524%0.237CC..Hα-helixtrans-59.6-43.1170.6-75.3172.1000111.6M186 I197 C204 Q205 V213 L251M186-L201 HydrophobicContact CE-CD2 3.54Å; M186-L201 HydrophobicContact CE-CG 3.85Å; M186-L201 HydrophobicContact SD-CD2 3.83Å; M186-L201 HydrophobicContact SD-CG 4.02Å; I197-L201 HydrophobicContact CG2-CD1 4.12Å; I197-L201 WeakPolarHBondContact O-CB 3.43Å; I197-L201 WeakPolarHBondContact O-CG 3.5Å; I197-L201 PolarHBondContact O-N 3.42Å; L201-C204 PolarHBondContact O-N 2.84Å; L201-Q205 WeakPolarHBondContact O-CG 3.28Å; L201-Q205 PolarHBondContact O-N 3.03Å; L201-V213 HydrophobicContact CD2-CG1 4.45Å; L201-L251 HydrophobicContact CD2-CD2 3.8Å
202K74Confident68.5Low17 Ų1746.2 Ų46.27%0.07423%0.232CC..Hα-helixtrans-61.9-43.8174.4-74.6179.6178.6-162.30111.8K198 L199 S200 C204 Q205 M206 V223 D224 V227K198-K202 WeakPolarHBondContact O-CG 3.44Å; K198-K202 PolarHBondContact O-N 2.88Å; K198-K202 VanDerWaalsContact O-N 3.09Å; L199-K202 WeakPolarHBondContact O-CB 3.46Å; L199-K202 PolarHBondContact O-N 2.99Å; S200-K202 VanDerWaalsContact C-N 3.32Å; S200-K202 PolarHBondContact O-N 3.33Å; K202-C204 VanDerWaalsContact C-N 3.33Å; K202-C204 PolarHBondContact O-N 2.9Å; K202-Q205 PolarHBondContact O-N 2.99Å; K202-M206 WeakPolarHBondContact O-CB 3.31Å; K202-M206 VanDerWaalsContact O-CG 3.22Å; K202-M206 WeakPolarHBondContact O-CG 3.48Å; K202-M206 PolarHBondContact O-N 3.33Å; K202-V223 HydrophobicContact CD-CG1 4.35Å; K202-V223 HydrophobicContact CG-CG1 3.99Å; K202-D224 WeakPolarHBondContact CE-O 3.43Å; K202-D224 PolarHBondContact NZ-O 2.87Å; K202-V227 HydrophobicContact CD-CB 4.49Å; K202-V227 VanDerWaalsContact NZ-CB 3.32Å
203A72.5Confident66.3Low3 Ų346.4 Ų46.43%0.02523%0.233CC..Hα-helixtrans-58.4-45.8176.300000111.3F156 V158 L199 S200 Q205 M206 C207 L233F156-A203 HydrophobicContact CE1-CB 4.35Å; V158-A203 HydrophobicContact CG2-CB 4.36Å; L199-A203 PolarHBondContact O-N 3.2Å; S200-A203 WeakPolarHBondContact O-CB 3.26Å; S200-A203 PolarHBondContact O-N 2.97Å; A203-Q205 PolarHBondContact O-N 3.38Å; A203-M206 PolarHBondContact O-N 2.68Å; A203-C207 WeakPolarHBondContact O-CB 3.33Å; A203-C207 PolarHBondContact O-N 3.45Å; A203-C207 PolarHBondContact O-SG 2.94Å; A203-L233 HydrophobicContact CB-CD1 4.46Å; A203-L233 HydrophobicContact CB-CD2 4.29Å
204C71.6Confident63.8Low2 Ų251.2 Ų51.21%0.01425%0.253CS..Hα-helixtrans-59.5-46.2176.6-65.70000112.6L177 S200 L201 K202 V210 L251L177-C204 VanDerWaalsContact CD1-SG 3.6Å; L177-C204 WeakPolarHBondContact CD2-SG 3.3Å; S200-C204 PolarHBondContact O-N 2.87Å; S200-C204 PolarHBondContact O-SG 3.07Å; L201-C204 PolarHBondContact O-N 2.84Å; K202-C204 VanDerWaalsContact C-N 3.33Å; K202-C204 PolarHBondContact O-N 2.9Å; C204-V210 HydrophobicContact CB-CG2 4.2Å; C204-L251 HydrophobicContact CB-CD1 4.4Å; C204-L251 HydrophobicContact CB-CD2 4.19Å
205Q66.4Low61.6Low65 Ų6547.7 Ų47.730%0.30424%0.242SC..Hα-helixtrans-63.8-43178.3-71.6171.5-15.200111.6L201 K202 A203 N208 V213L201-Q205 WeakPolarHBondContact O-CG 3.28Å; L201-Q205 PolarHBondContact O-N 3.03Å; K202-Q205 PolarHBondContact O-N 2.99Å; A203-Q205 PolarHBondContact O-N 3.38Å; Q205-N208 PolarHBondContact O-N 3.43Å; Q205-V213 HydrophobicContact CG-CG2 4.17Å
206M58.7Low59.5Low55 Ų5550.9 Ų50.927%0.27126%0.256SS..Hα-helixtrans-73.2-33.3-174.8-70.6179.883.300113.5K202 A203 N208 V229 I237 R241K202-M206 WeakPolarHBondContact O-CB 3.31Å; K202-M206 VanDerWaalsContact O-CG 3.22Å; K202-M206 WeakPolarHBondContact O-CG 3.48Å; K202-M206 PolarHBondContact O-N 3.33Å; A203-M206 PolarHBondContact O-N 2.68Å; M206-N208 PolarHBondContact O-N 2.96Å; M206-V229 HydrophobicContact SD-CG2 3.97Å; M206-I237 HydrophobicContact CB-CD1 3.52Å; M206-I237 HydrophobicContact CB-CG1 3.87Å; M206-I237 HydrophobicContact CB-CG2 4.13Å; M206-I237 HydrophobicContact CE-CD1 3.62Å; M206-I237 HydrophobicContact CG-CD1 4.22Å; M206-I237 WeakPolarHBondContact O-CG2 3.35Å; M206-I237 HydrophobicContact SD-CD1 3.68Å; M206-R241 PolarHBondContact O-NE 2.7Å; M206-R241 PolarHBondContact O-NH2 2.92Å
207C55.8Low57.4Low8 Ų855 Ų555%0.05429%0.287CS..THydrogen-bonded Turntrans-71.1-0.2177.6-68.60000113.7A203 W209A203-C207 WeakPolarHBondContact O-CB 3.33Å; A203-C207 PolarHBondContact O-N 3.45Å; A203-C207 PolarHBondContact O-SG 2.94Å; C207-W209 VanDerWaalsContact CB-CD1 3.44Å; C207-W209 HydrophobicContact CB-CG 3.98Å; C207-W209 PolarHBondContact O-N 2.58Å
208N53.4Low54.9Low52 Ų5258 Ų5828%0.27831%0.309SS..THydrogen-bonded Turntrans62.314.7-174.4-132.514.9000114.6Q205 M206 V210 D244Q205-N208 PolarHBondContact O-N 3.43Å; M206-N208 PolarHBondContact O-N 2.96Å; N208-V210 PolarHBondContact O-N 3.15Å; N208-D244 PolarHBondContact ND2-OD2 3.34Å
209W50.8Low52.4Low21 Ų2160.4 Ų60.48%0.0832%0.322CS..SBendtrans-65.5-21.7176.8-78.131.7000111.8F147 D179 V184 C207 M240 R249F147-W209 AromaticContact CD2-CH2 3.86Å; F147-W209 HydrophobicContact CD2-CH2 3.86Å; F147-W209 HydrophobicContact CD2-CZ3 4.39Å; F147-W209 AromaticContact CE2-CH2 3.37Å; F147-W209 HydrophobicContact CE2-CH2 3.37Å; F147-W209 HydrophobicContact CE2-CZ2 4.05Å; F147-W209 HydrophobicContact CE2-CZ3 4.28Å; F147-W209 HydrophobicContact CZ-CH2 4.05Å; F147-W209 HydrophobicContact CZ-CZ2 4.29Å; D179-W209 HydrophobicContact CB-CE3 4.35Å; D179-W209 HydrophobicContact CB-CH2 3.37Å; D179-W209 HydrophobicContact CB-CZ2 4.32Å; D179-W209 HydrophobicContact CB-CZ3 3.41Å; D179-W209 VanDerWaalsContact CB-CZ3 3.41Å; D179-W209 WeakPolarHBondContact OD2-CH2 3.24Å; V184-W209 HydrophobicContact CB-CE3 3.96Å; V184-W209 HydrophobicContact CG1-CE3 3.47Å; V184-W209 VanDerWaalsContact CG1-CE3 3.47Å; V184-W209 HydrophobicContact CG1-CZ3 3.93Å; V184-W209 HydrophobicContact CG2-CB 4.12Å; V184-W209 HydrophobicContact CG2-CD2 3.98Å; V184-W209 HydrophobicContact CG2-CE3 3.23Å; V184-W209 HydrophobicContact CG2-CG 4.38Å; V184-W209 HydrophobicContact CG2-CZ3 3.85Å; C207-W209 VanDerWaalsContact CB-CD1 3.44Å; C207-W209 HydrophobicContact CB-CG 3.98Å; C207-W209 PolarHBondContact O-N 2.58Å; W209-M240 HydrophobicContact CZ2-CE 3.53Å; W209-R249 CarbonylContact O-C 3.49Å; W209-R249 VanDerWaalsContact O-C 3.31Å; W209-R249 WeakPolarHBondContact O-CA 3.49Å; W209-R249 VanDerWaalsContact O-CB 3.25Å; W209-R249 WeakPolarHBondContact O-CB 3.33Å; W209-R249 PolarHBondContact O-N 2.97Å
210V45.8Very low50.1Low6 Ų665.6 Ų65.64%0.03635%0.349CS..  trans-147.9108.7-167.4-173.40000108.4C204 N208 N212 V213 R249 L251C204-V210 HydrophobicContact CB-CG2 4.2Å; N208-V210 PolarHBondContact O-N 3.15Å; V210-N212 VanDerWaalsContact CG1-C 3.41Å; V210-N212 WeakPolarHBondContact CG1-O 3.26Å; V210-V213 HydrophobicContact CG1-CG2 4.06Å; V210-R249 WeakPolarHBondContact CA-O 3.5Å; V210-L251 HydrophobicContact CB-CB 4.16Å; V210-L251 HydrophobicContact CG1-CB 3.53Å; V210-L251 HydrophobicContact CG2-CB 3.54Å; V210-L251 HydrophobicContact CG2-CD1 4.05Å; V210-L251 HydrophobicContact CG2-CD2 4.31Å; V210-L251 HydrophobicContact CG2-CG 4.17Å
211K40.2Very low48Very low139 Ų13969.9 Ų69.960%0.60437%0.371SS*.SBendtrans-76.1-25.5168.7-76.7-172.4-168173.40112.4P248K211-P248 HydrophobicContact CB-CB 4.03Å; K211-P248 HydrophobicContact CD-CB 3.76Å; K211-P248 HydrophobicContact CD-CG 3.82Å; K211-P248 HydrophobicContact CG-CB 3.62Å; K211-P248 HydrophobicContact CG-CG 4.21Å
212N37.6Very low45.8Very low106 Ų10677.6 Ų77.657%0.56741%0.406SS*.  trans-141.2118.7-178.3-69.1-52.3000111.1V210 M214V210-N212 VanDerWaalsContact CG1-C 3.41Å; V210-N212 WeakPolarHBondContact CG1-O 3.26Å; N212-M214 PolarHBondContact O-N 3.23Å
213V40Very low43.9Very low26 Ų2678.3 Ų78.316%0.15841%0.412CS..BIsolated β-bridgetrans-80.5112.5170.1178.10000107.6L201 Q205 V210 L251L201-V213 HydrophobicContact CD2-CG1 4.45Å; Q205-V213 HydrophobicContact CG-CG2 4.17Å; V210-V213 HydrophobicContact CG1-CG2 4.06Å; V213-L251 HydrophobicContact CG1-CD2 4.22Å; V213-L251 HydrophobicContact CG2-CD2 4Å
214M33.2Very low42Very low142 Ų14284.3 Ų84.370%0.744%0.443SS*.  trans-105.7130.8172.1-76.3-170.4-178.400110.2N212N212-M214 PolarHBondContact O-N 3.23Å
215C33.2Very low40.3Very low61 Ų6191.9 Ų91.941%0.41248%0.483SS..  trans-114.3130.1168174.70000106.8S217C215-S217 PolarHBondContact O-N 2.85Å
216D36.8Very low38.7Very low157 Ų15793.2 Ų93.284%0.8450%0.499SS*.THydrogen-bonded Turntrans-66.37.8-175.5-73.3-25.9000114.5
217S35Very low37.8Very low97 Ų9794 Ų9468%0.67851%0.507SS*.THydrogen-bonded Turntrans-142.15-176.531.60000118.7C215C215-S217 PolarHBondContact O-N 2.85Å
218C30.1Very low37.2Very low94 Ų94101.4 Ų101.464%0.63555%0.546SS*.SBendtrans172.3133.3159.8-100.10000112.2
219H28.2Very low36.9Very low174 Ų174100.4 Ų100.481%0.80654%0.542SS*.  trans39.7144.5154.8-66.982.9000121.2I221H219-I221 PolarHBondContact O-N 3.31Å; H219-I221 VanDerWaalsContact O-N 3.07Å
220L30.9Very low36.6Very low133 Ų133101 Ų10170%0.69655%0.549SS*.  trans-44.6114.3169.5-88.1152.8000111.1H222L220-H222 PolarHBondContact O-N 3.04Å
221I35.8Very low36.7Very low89 Ų89105.3 Ų105.346%0.45658%0.577SS.*  trans-75.397.5170.5-55.2177.9000107.2H219 V223H219-I221 PolarHBondContact O-N 3.31Å; H219-I221 VanDerWaalsContact O-N 3.07Å; I221-V223 HydrophobicContact CG2-CG2 3.74Å; I221-V223 PolarHBondContact O-N 3.21Å
222H30.9Very low37Very low183 Ų183102.2 Ų102.285%0.84758%0.578SS**  trans-67.199.4163.2-107.4-87.6000108L220 D224L220-H222 PolarHBondContact O-N 3.04Å; H222-D224 PolarHBondContact O-N 2.8Å
223V36.1Very low37.4Very low31 Ų3197.6 Ų97.619%0.18855%0.553CS.*  trans-83.7110.3173.7-171.40000107.6K202 I221 L225K202-V223 HydrophobicContact CD-CG1 4.35Å; K202-V223 HydrophobicContact CG-CG1 3.99Å; I221-V223 HydrophobicContact CG2-CG2 3.74Å; I221-V223 PolarHBondContact O-N 3.21Å; V223-L225 PolarHBondContact O-N 2.79Å
224D31.3Very low37.9Very low129 Ų129101.2 Ų101.269%0.6957%0.568SS**  trans-57.8132.3176.3-167.72.5000111.1K202 H222 S226K202-D224 WeakPolarHBondContact CE-O 3.43Å; K202-D224 PolarHBondContact NZ-O 2.87Å; H222-D224 PolarHBondContact O-N 2.8Å; D224-S226 PolarHBondContact O-N 2.97Å
225L36.7Very low38.8Very low162 Ų16298.9 Ų98.985%0.84856%0.562SS**SBendtrans-78.54.7-163.1-78.3161.5000114.2V223 V227V223-L225 PolarHBondContact O-N 2.79Å; L225-V227 PolarHBondContact O-N 3.49Å
226S32.3Very low39.6Very low92 Ų9298.6 Ų98.664%0.64355%0.552SS**  trans-87.720-164.656.90000117.1D224D224-S226 PolarHBondContact O-N 2.97Å
227V40.3Very low40.3Very low71 Ų7191.3 Ų91.343%0.4351%0.513SS..SBendtrans-105.8119.9178.8-171.90000109.9L199 K202 L225 V229L199-V227 HydrophobicContact CD2-CB 4.37Å; L199-V227 HydrophobicContact CD2-CG1 3.65Å; K202-V227 HydrophobicContact CD-CB 4.49Å; K202-V227 VanDerWaalsContact NZ-CB 3.32Å; L225-V227 PolarHBondContact O-N 3.49Å; V227-V229 PolarHBondContact O-N 3.27Å
228N41.9Very low41.2Very low165 Ų16593 Ų9388%0.88251%0.511SS*.  trans-59.9113.1178.5-74.8-33000110.8
229V47.3Very low42.4Very low31 Ų3193.3 Ų93.319%0.18850%0.503CS..  trans-83.8141.9175.8174.90000109.5M206 V227 L233 Q234M206-V229 HydrophobicContact SD-CG2 3.97Å; V227-V229 PolarHBondContact O-N 3.27Å; V229-L233 HydrophobicContact CG1-CB 3.63Å; V229-L233 HydrophobicContact CG1-CD2 3.59Å; V229-L233 HydrophobicContact CG1-CG 3.58Å; V229-Q234 HydrophobicContact CG1-CG 4.46Å
230S44.9Very low43.4Very low32 Ų3286 Ų8622%0.22447%0.469CS..  trans-64.7148.6179.969.10000112.1A232 L233 Q234S230-A232 PolarHBondContact O-N 2.79Å; S230-L233 PolarHBondContact O-N 2.82Å; S230-L233 VanDerWaalsContact O-N 3.09Å; S230-L233 PolarHBondContact OG-N 2.83Å; S230-Q234 PolarHBondContact O-N 2.91Å; S230-Q234 VanDerWaalsContact O-N 3.1Å
231P48.5Very low44.5Very low97 Ų9785.8 Ų85.863%0.6346%0.459SS*.Hα-helixtrans-58.6-33178.8-26.234.6000113.8Q234 V235P231-Q234 WeakPolarHBondContact O-CB 3.42Å; P231-Q234 PolarHBondContact O-N 2.81Å; P231-V235 WeakPolarHBondContact O-CG2 3.49Å; P231-V235 PolarHBondContact O-N 3.43Å; P231-V235 VanDerWaalsContact O-N 3.07Å
232A47.1Very low45.3Very low74 Ų7485.8 Ų85.861%0.61247%0.472SS*.Hα-helixtrans-65-40.6176.300000112S230 Q234 V235 Y236S230-A232 PolarHBondContact O-N 2.79Å; A232-Q234 VanDerWaalsContact C-N 3.33Å; A232-V235 PolarHBondContact O-N 3.07Å; A232-Y236 PolarHBondContact O-N 3.25Å; A232-Y236 VanDerWaalsContact O-N 3.13Å
233L45.7Very low46.5Very low10 Ų1083.9 Ų83.95%0.05246%0.461CS..Hα-helixtrans-67.4-36.3175.5-176.251.5000110.8F156 V158 A203 V229 S230 V235 Y236 I237F156-L233 HydrophobicContact CD1-CD2 3.72Å; F156-L233 HydrophobicContact CE1-CD2 3.58Å; V158-L233 HydrophobicContact CB-CD1 4.41Å; V158-L233 HydrophobicContact CG2-CD1 3.86Å; V158-L233 HydrophobicContact CG2-CD2 4.36Å; A203-L233 HydrophobicContact CB-CD1 4.46Å; A203-L233 HydrophobicContact CB-CD2 4.29Å; V229-L233 HydrophobicContact CG1-CB 3.63Å; V229-L233 HydrophobicContact CG1-CD2 3.59Å; V229-L233 HydrophobicContact CG1-CG 3.58Å; S230-L233 PolarHBondContact O-N 2.82Å; S230-L233 VanDerWaalsContact O-N 3.09Å; S230-L233 PolarHBondContact OG-N 2.83Å; L233-V235 PolarHBondContact O-N 3.33Å; L233-Y236 HydrophobicContact CD1-CD1 4.44Å; L233-Y236 PolarHBondContact O-N 3.24Å; L233-I237 HydrophobicContact CD1-CD1 4.15Å; L233-I237 HydrophobicContact CD1-CG1 4.32Å; L233-I237 HydrophobicContact CG-CD1 3.86Å; L233-I237 WeakPolarHBondContact O-CB 3.34Å; L233-I237 VanDerWaalsContact O-CD1 3.23Å; L233-I237 WeakPolarHBondContact O-CD1 3.39Å; L233-I237 WeakPolarHBondContact O-CG1 3.46Å; L233-I237 PolarHBondContact O-N 2.84Å
234Q50.2Low47.3Very low101 Ų10186.7 Ų86.747%0.47248%0.475SS..Hα-helixtrans-60.5-42.6172.6-77.9175.3-20.500113.4V229 S230 P231 A232 I237 Q238V229-Q234 HydrophobicContact CG1-CG 4.46Å; S230-Q234 PolarHBondContact O-N 2.91Å; S230-Q234 VanDerWaalsContact O-N 3.1Å; P231-Q234 WeakPolarHBondContact O-CB 3.42Å; P231-Q234 PolarHBondContact O-N 2.81Å; A232-Q234 VanDerWaalsContact C-N 3.33Å; Q234-I237 WeakPolarHBondContact O-CB 3.45Å; Q234-I237 PolarHBondContact O-N 2.9Å; Q234-Q238 WeakPolarHBondContact O-CG 3.4Å; Q234-Q238 PolarHBondContact O-N 3.07Å
235V51.7Low48.3Very low94 Ų9483.3 Ų83.357%0.5746%0.462SS*.Hα-helixtrans-65.6-42.5177.7173.50000111.2P231 A232 L233 I237 Q238 H239P231-V235 WeakPolarHBondContact O-CG2 3.49Å; P231-V235 PolarHBondContact O-N 3.43Å; P231-V235 VanDerWaalsContact O-N 3.07Å; A232-V235 PolarHBondContact O-N 3.07Å; L233-V235 PolarHBondContact O-N 3.33Å; V235-I237 VanDerWaalsContact C-N 3.35Å; V235-I237 PolarHBondContact O-N 3.31Å; V235-Q238 PolarHBondContact O-N 3.08Å; V235-H239 PolarHBondContact O-N 2.89Å
236Y51.1Low49Very low54 Ų5483.9 Ų83.921%0.21246%0.46CS..Hα-helixtrans-61.9-43.4175179.5-97.8000111.8F147 A232 L233 Q238 H239 M240F147-Y236 HydrophobicContact CE1-CE2 4.38Å; F147-Y236 AromaticContact CE1-CZ 3.96Å; F147-Y236 WeakPolarHBondContact CE1-OH 3.44Å; F147-Y236 WeakPolarHBondContact CZ-OH 3.2Å; A232-Y236 PolarHBondContact O-N 3.25Å; A232-Y236 VanDerWaalsContact O-N 3.13Å; L233-Y236 HydrophobicContact CD1-CD1 4.44Å; L233-Y236 PolarHBondContact O-N 3.24Å; Y236-Q238 VanDerWaalsContact C-N 3.3Å; Y236-Q238 PolarHBondContact O-N 3.19Å; Y236-H239 PolarHBondContact O-N 2.87Å; Y236-M240 HydrophobicContact CD1-CG 4.11Å; Y236-M240 HydrophobicContact CD2-CG 4.46Å; Y236-M240 HydrophobicContact CE1-CG 3.65Å; Y236-M240 HydrophobicContact CE2-CG 4.06Å; Y236-M240 HydrophobicContact CE2-SD 4.24Å; Y236-M240 HydrophobicContact CG-CG 4.49Å; Y236-M240 WeakPolarHBondContact O-CG 3.28Å; Y236-M240 PolarHBondContact O-N 2.76Å
237I50.8Low50.1Low4 Ų487 Ų872%0.02146%0.459CS..Hα-helixtrans-58-42.5175.2-73.9159.6000111.2M206 L233 Q234 V235 M240 R241M206-I237 HydrophobicContact CB-CD1 3.52Å; M206-I237 HydrophobicContact CB-CG1 3.87Å; M206-I237 HydrophobicContact CB-CG2 4.13Å; M206-I237 HydrophobicContact CE-CD1 3.62Å; M206-I237 HydrophobicContact CG-CD1 4.22Å; M206-I237 WeakPolarHBondContact O-CG2 3.35Å; M206-I237 HydrophobicContact SD-CD1 3.68Å; L233-I237 HydrophobicContact CD1-CD1 4.15Å; L233-I237 HydrophobicContact CD1-CG1 4.32Å; L233-I237 HydrophobicContact CG-CD1 3.86Å; L233-I237 WeakPolarHBondContact O-CB 3.34Å; L233-I237 VanDerWaalsContact O-CD1 3.23Å; L233-I237 WeakPolarHBondContact O-CD1 3.39Å; L233-I237 WeakPolarHBondContact O-CG1 3.46Å; L233-I237 PolarHBondContact O-N 2.84Å; Q234-I237 WeakPolarHBondContact O-CB 3.45Å; Q234-I237 PolarHBondContact O-N 2.9Å; V235-I237 VanDerWaalsContact C-N 3.35Å; V235-I237 PolarHBondContact O-N 3.31Å; I237-M240 PolarHBondContact O-N 3.5Å; I237-R241 WeakPolarHBondContact O-CB 3.45Å; I237-R241 VanDerWaalsContact O-CG 3.24Å; I237-R241 WeakPolarHBondContact O-CG 3.46Å; I237-R241 PolarHBondContact O-N 3.06Å
238Q53.3Low51.1Low133 Ų13386.6 Ų86.662%0.62146%0.458SS*.Hα-helixtrans-65.9-41.6177.2-74.4178.4-14.800112.5Q234 V235 Y236 R241 A242Q234-Q238 WeakPolarHBondContact O-CG 3.4Å; Q234-Q238 PolarHBondContact O-N 3.07Å; V235-Q238 PolarHBondContact O-N 3.08Å; Y236-Q238 VanDerWaalsContact C-N 3.3Å; Y236-Q238 PolarHBondContact O-N 3.19Å; Q238-R241 PolarHBondContact O-N 3.21Å; Q238-A242 PolarHBondContact O-N 3.47Å; Q238-A242 VanDerWaalsContact O-N 3.11Å
239H54.6Low52.6Low101 Ų10181.8 Ų81.847%0.46843%0.427SS..Hα-helixtrans-63.2-41.3176179.478.6000112.5V235 Y236 A242 K243V235-H239 PolarHBondContact O-N 2.89Å; Y236-H239 PolarHBondContact O-N 2.87Å; H239-A242 PolarHBondContact O-N 2.8Å; H239-K243 PolarHBondContact O-N 3.22Å
240M49.7Very low54Low19 Ų1986.6 Ų86.69%0.09445%0.445CS..Hα-helixtrans-70.9-39.5179-67-59.4-73.100112.2W209 Y236 I237 A242 K243W209-M240 HydrophobicContact CZ2-CE 3.53Å; Y236-M240 HydrophobicContact CD1-CG 4.11Å; Y236-M240 HydrophobicContact CD2-CG 4.46Å; Y236-M240 HydrophobicContact CE1-CG 3.65Å; Y236-M240 HydrophobicContact CE2-CG 4.06Å; Y236-M240 HydrophobicContact CE2-SD 4.24Å; Y236-M240 HydrophobicContact CG-CG 4.49Å; Y236-M240 WeakPolarHBondContact O-CG 3.28Å; Y236-M240 PolarHBondContact O-N 2.76Å; I237-M240 PolarHBondContact O-N 3.5Å; M240-A242 VanDerWaalsContact C-N 3.26Å; M240-A242 PolarHBondContact O-N 3.25Å; M240-K243 PolarHBondContact O-N 3.48Å; M240-K243 VanDerWaalsContact O-N 3.07Å
241R54.5Low55.6Low129 Ų12985.5 Ų85.549%0.48744%0.437SS..Hα-helixtrans-61.6-32.3172.6-74.7173.1-176.2-171.5-0.2113.2M206 I237 Q238 K243M206-R241 PolarHBondContact O-NE 2.7Å; M206-R241 PolarHBondContact O-NH2 2.92Å; I237-R241 WeakPolarHBondContact O-CB 3.45Å; I237-R241 VanDerWaalsContact O-CG 3.24Å; I237-R241 WeakPolarHBondContact O-CG 3.46Å; I237-R241 PolarHBondContact O-N 3.06Å; Q238-R241 PolarHBondContact O-N 3.21Å; R241-K243 PolarHBondContact O-N 3.06Å
242A53.3Low57.3Low89 Ų8985.7 Ų85.774%0.73643%0.425SS*.THydrogen-bonded Turntrans-72.8-16176.600000113.3Q238 H239 M240Q238-A242 PolarHBondContact O-N 3.47Å; Q238-A242 VanDerWaalsContact O-N 3.11Å; H239-A242 PolarHBondContact O-N 2.8Å; M240-A242 VanDerWaalsContact C-N 3.26Å; M240-A242 PolarHBondContact O-N 3.25Å
243K55.2Low59.1Low143 Ų14386.1 Ų86.162%0.62242%0.417SS*.THydrogen-bonded Turntrans-101.712.5179.8-74.2-166.3174-166.40113.7H239 M240 R241 S245H239-K243 PolarHBondContact O-N 3.22Å; M240-K243 PolarHBondContact O-N 3.48Å; M240-K243 VanDerWaalsContact O-N 3.07Å; R241-K243 PolarHBondContact O-N 3.06Å; K243-S245 PolarHBondContact O-N 2.67Å; K243-S245 VanDerWaalsContact O-N 3.17Å
244D52.8Low61.2Low90 Ų9085.8 Ų85.848%0.48142%0.415SS..  trans-52.5120.3-168.4-128.6-3.4000112.4N208N208-D244 PolarHBondContact ND2-OD2 3.34Å
245S51.9Low62.7Low58 Ų5889.5 Ų89.541%0.40643%0.425SS..  trans-78.3140.916563.90000108.6K243 Y247K243-S245 PolarHBondContact O-N 2.67Å; K243-S245 VanDerWaalsContact O-N 3.17Å; S245-Y247 PolarHBondContact O-N 3.46Å
246E52.1Low64.2Low174 Ų17488 Ų8881%0.81341%0.411SS*.SBendtrans-47.8-9.7179-95.9174.314500116.5
247Y55.6Low65.7Low158 Ų15888.3 Ų88.362%0.6243%0.431SS*.SBendtrans-123.1111.1-172.9-55.8-79.1000112.2S245 R249S245-Y247 PolarHBondContact O-N 3.46Å; Y247-R249 PolarHBondContact O-N 3.4Å
248P61.9Low67.4Low62 Ų6294.5 Ų94.540%0.40346%0.464SS..PPolyproline II helixtrans-66.3128.7174.529.3-35.2000110.3K211K211-P248 HydrophobicContact CB-CB 4.03Å; K211-P248 HydrophobicContact CD-CB 3.76Å; K211-P248 HydrophobicContact CD-CG 3.82Å; K211-P248 HydrophobicContact CG-CB 3.62Å; K211-P248 HydrophobicContact CG-CG 4.21Å
249R73Confident69.2Low65 Ų6589.4 Ų89.425%0.24544%0.44CS..PPolyproline II helixtrans-76.3160.1177.3-46.4-61.7-179.11776.4110.4G181 K182 V184 W209 V210 Y247G181-R249 VanDerWaalsContact C-CZ 3.46Å; G181-R249 PolarHBondContact O-NE 2.85Å; G181-R249 PolarHBondContact O-NH1 3.41Å; G181-R249 PolarHBondContact O-NH2 3.1Å; K182-R249 WeakPolarHBondContact O-CD 3.46Å; V184-R249 HydrophobicContact CG2-CB 4.01Å; V184-R249 HydrophobicContact CG2-CG 4.48Å; W209-R249 CarbonylContact O-C 3.49Å; W209-R249 VanDerWaalsContact O-C 3.31Å; W209-R249 WeakPolarHBondContact O-CA 3.49Å; W209-R249 VanDerWaalsContact O-CB 3.25Å; W209-R249 WeakPolarHBondContact O-CB 3.33Å; W209-R249 PolarHBondContact O-N 2.97Å; V210-R249 WeakPolarHBondContact CA-O 3.5Å; Y247-R249 PolarHBondContact O-N 3.4Å
250K76.2Confident71Confident131 Ų13187.3 Ų87.357%0.5744%0.435SS*.EExtended strand (participates in β ladder)trans-92.9138.8174.2-66.8179.7-178.2176.20109.7E183 V184E183-K250 HydrophobicContact CG-CB 4.44Å; V184-K250 PolarHBondContact N-O 2.86Å
251L79.6Confident73Confident9 Ų990.9 Ų90.95%0.04745%0.451CS..EExtended strand (participates in β ladder)trans-85.9132.1169.4-166.657.7000110.1V184 M186 L201 C204 V210 V213V184-L251 HydrophobicContact CB-CD1 4.13Å; V184-L251 HydrophobicContact CG1-CD1 3.64Å; V184-L251 CarbonylContact O-C 3.08Å; V184-L251 VanDerWaalsContact O-CA 3.29Å; V184-L251 WeakPolarHBondContact O-CA 3.48Å; M186-L251 HydrophobicContact CB-CD1 4.08Å; L201-L251 HydrophobicContact CD2-CD2 3.8Å; C204-L251 HydrophobicContact CB-CD1 4.4Å; C204-L251 HydrophobicContact CB-CD2 4.19Å; V210-L251 HydrophobicContact CB-CB 4.16Å; V210-L251 HydrophobicContact CG1-CB 3.53Å; V210-L251 HydrophobicContact CG2-CB 3.54Å; V210-L251 HydrophobicContact CG2-CD1 4.05Å; V210-L251 HydrophobicContact CG2-CD2 4.31Å; V210-L251 HydrophobicContact CG2-CG 4.17Å; V213-L251 HydrophobicContact CG1-CD2 4.22Å; V213-L251 HydrophobicContact CG2-CD2 4Å
252R84.2Confident74.8Confident102 Ų10287.6 Ų87.639%0.38545%0.448SS..EExtended strand (participates in β ladder)trans-121.7130169.6-68.6-170-176.4-103.24.6110.3E183 V184 Y185 M186E183-R252 IonicContact OE1-CZ 3.28Å; E183-R252 VanDerWaalsContact OE1-CZ 3.28Å; E183-R252 IonicContact OE1-NE 2.84Å; E183-R252 PolarHBondContact OE1-NE 2.95Å; E183-R252 IonicContact OE1-NH2 2.82Å; E183-R252 PolarHBondContact OE1-NH2 3.14Å; E183-R252 VanDerWaalsContact OE2-CD 3.24Å; E183-R252 WeakPolarHBondContact OE2-CD 3.33Å; E183-R252 IonicContact OE2-CZ 3.73Å; E183-R252 IonicContact OE2-NE 2.79Å; E183-R252 PolarHBondContact OE2-NE 3.37Å; E183-R252 IonicContact OE2-NH2 3.87Å; V184-R252 PolarHBondContact O-N 3.07Å; Y185-R252 CarbonylContact C-O 3.53Å; Y185-R252 WeakPolarHBondContact CA-O 3.39Å; Y185-R252 HydrophobicContact CD1-CB 3.75Å; Y185-R252 HydrophobicContact CE1-CB 4.03Å; Y185-R252 HydrophobicContact CE1-CG 4.38Å; M186-R252 PolarHBondContact N-O 3.29Å
253L84.9Confident76.7Confident83 Ų8383.4 Ų83.444%0.43541%0.413SS..EExtended strand (participates in β ladder)trans-76.7129.1170.3-173.372.5000108.8M186 V188M186-L253 HydrophobicContact CE-CD1 3.27Å; V188-L253 HydrophobicContact CG2-CD1 3.54Å
254V88.9Confident78.5Confident3 Ų377.5 Ų77.52%0.01839%0.388CS..EExtended strand (participates in β ladder)trans-119131.7175.6-175.60000108.6Y185 M186 W187 V188 E259 F263Y185-V254 HydrophobicContact CD1-CG2 3.52Å; Y185-V254 HydrophobicContact CG-CG2 4.07Å; M186-V254 PolarHBondContact O-N 2.95Å; W187-V254 WeakPolarHBondContact CA-O 3.24Å; W187-V254 HydrophobicContact CB-CB 4.36Å; V188-V254 PolarHBondContact N-O 3.02Å; V254-E259 HydrophobicContact CG1-CB 4.1Å; V254-E259 HydrophobicContact CG1-CG 3.67Å; V254-F263 HydrophobicContact CG2-CD2 4.23Å
255R82.3Confident80.4Confident179 Ų17974.9 Ų74.968%0.67537%0.372SS*.EExtended strand (participates in β ladder)trans-106.3144.3176.3-67.1-176.1179.9172.31.3109.1G257 N258R255-G257 PolarHBondContact O-N 2.86Å; R255-N258 CarbonylContact O-C 3.56Å; R255-N258 PolarHBondContact O-N 2.95Å
256K82.8Confident82.3Confident62 Ų6272.1 Ų72.127%0.2735%0.353SS..THydrogen-bonded Turntrans-50.5127.6173.9-173.9171.2-177.5171.30111.3D172 W187 T190 N258 E259 F273D172-K256 WeakPolarHBondContact OD1-CD 3.3Å; D172-K256 WeakPolarHBondContact OD1-CE 3.33Å; D172-K256 IonicContact OD1-NZ 3.65Å; D172-K256 PolarHBondContact OD1-NZ 3.41Å; D172-K256 IonicContact OD2-NZ 3.8Å; D172-K256 PolarHBondContact OD2-NZ 3.33Å; W187-K256 HydrophobicContact CH2-CD 4.39Å; W187-K256 HydrophobicContact CZ2-CB 3.73Å; W187-K256 HydrophobicContact CZ2-CD 3.95Å; W187-K256 HydrophobicContact CZ2-CG 3.85Å; T190-K256 HydrophobicContact CG2-CB 4.13Å; T190-K256 HydrophobicContact CG2-CD 4.08Å; K256-N258 VanDerWaalsContact C-N 3.3Å; K256-N258 PolarHBondContact O-N 2.76Å; K256-E259 VanDerWaalsContact CA-OE1 3.23Å; K256-E259 WeakPolarHBondContact CA-OE1 3.44Å; K256-F273 HydrophobicContact CG-CD2 4.04Å; K256-F273 HydrophobicContact CG-CE2 3.86Å; K256-F273 HydrophobicContact CG-CZ 4.18Å
257G82.7Confident84.3Confident61 Ų6164.1 Ų64.163%0.62932%0.315SS*.THydrogen-bonded Turntrans82.10.217900000115.1R255 E259R255-G257 PolarHBondContact O-N 2.86Å; G257-E259 VanDerWaalsContact C-OE2 3.32Å; G257-E259 WeakPolarHBondContact CA-OE2 3.45Å; G257-E259 VanDerWaalsContact N-CD 3.3Å; G257-E259 PolarHBondContact N-OE1 3.11Å; G257-E259 PolarHBondContact N-OE2 3.08Å
258N86.2Confident86Confident133 Ų13356.7 Ų56.771%0.71129%0.286SS*.  trans-131.542.4172.1-165.731.3000110.6R255 K256R255-N258 CarbonylContact O-C 3.56Å; R255-N258 PolarHBondContact O-N 2.95Å; K256-N258 VanDerWaalsContact C-N 3.3Å; K256-N258 PolarHBondContact O-N 2.76Å
259E91.5Very high87.2Confident27 Ų2754.4 Ų54.413%0.12627%0.273CS..  trans-73125.5176.9-64.680.9-179.100111.2W187 V254 K256 G257 F263 T264 W270 F273W187-E259 PolarHBondContact NE1-OE1 2.92Å; V254-E259 HydrophobicContact CG1-CB 4.1Å; V254-E259 HydrophobicContact CG1-CG 3.67Å; K256-E259 VanDerWaalsContact CA-OE1 3.23Å; K256-E259 WeakPolarHBondContact CA-OE1 3.44Å; G257-E259 VanDerWaalsContact C-OE2 3.32Å; G257-E259 WeakPolarHBondContact CA-OE2 3.45Å; G257-E259 VanDerWaalsContact N-CD 3.3Å; G257-E259 PolarHBondContact N-OE1 3.11Å; G257-E259 PolarHBondContact N-OE2 3.08Å; E259-F263 HydrophobicContact CB-CD1 3.74Å; E259-F263 HydrophobicContact CB-CE1 4.29Å; E259-F263 HydrophobicContact CG-CD1 3.67Å; E259-F263 HydrophobicContact CG-CE1 3.7Å; E259-T264 HydrophobicContact CB-CG2 3.44Å; E259-T264 VanDerWaalsContact CB-CG2 3.44Å; E259-T264 HydrophobicContact CG-CG2 4.47Å; E259-W270 HydrophobicContact CB-CH2 4.48Å; E259-W270 HydrophobicContact CB-CZ2 3.97Å; E259-W270 HydrophobicContact CG-CH2 3.81Å; E259-W270 HydrophobicContact CG-CZ2 3.58Å; E259-F273 WeakPolarHBondContact OE1-CE2 3.22Å; E259-F273 WeakPolarHBondContact OE1-CZ 3.47Å
260P91.4Very high88Confident56 Ų5654.1 Ų54.136%0.36427%0.272SS..  trans-71.1156.1175.830.3-34.8000111.2Y185 C262 F263 T264Y185-P260 HydrophobicContact CD1-CG 4.46Å; Y185-P260 HydrophobicContact CE1-CG 4.07Å; P260-C262 VanDerWaalsContact C-N 3.26Å; P260-C262 PolarHBondContact O-N 3.33Å; P260-F263 HydrophobicContact CG-CB 3.96Å; P260-F263 WeakPolarHBondContact O-CA 3.13Å; P260-F263 VanDerWaalsContact O-CB 3.3Å; P260-F263 WeakPolarHBondContact O-CB 3.42Å; P260-F263 PolarHBondContact O-N 3.22Å; P260-T264 PolarHBondContact O-N 2.85Å
261H91.8Very high88.4Confident95 Ų9548.6 Ų48.644%0.4425%0.252SS..Hα-helixtrans-53.7-40.9-179.8-176.241.1000113.6D135 F263 T264 R265D135-H261 IonicContact OD1-CD2 3.73Å; D135-H261 IonicContact OD1-NE2 2.71Å; D135-H261 PolarHBondContact OD1-NE2 3.18Å; D135-H261 IonicContact OD2-CD2 3.42Å; D135-H261 IonicContact OD2-CE1 3.49Å; D135-H261 PolarHBondContact OD2-CE1 3.4Å; D135-H261 IonicContact OD2-NE2 2.64Å; D135-H261 PolarHBondContact OD2-NE2 2.93Å; H261-F263 PolarHBondContact O-N 3.33Å; H261-F263 VanDerWaalsContact O-N 3.1Å; H261-T264 WeakPolarHBondContact CA-OG1 3.28Å; H261-T264 PolarHBondContact O-N 3.15Å; H261-T264 VanDerWaalsContact O-N 3.15Å; H261-T264 PolarHBondContact O-OG1 3.24Å; H261-R265 WeakPolarHBondContact O-CB 3.49Å; H261-R265 VanDerWaalsContact O-CG 3.31Å; H261-R265 WeakPolarHBondContact O-CG 3.28Å; H261-R265 PolarHBondContact O-N 3.46Å
262C91.9Very high88.2Confident60 Ų6052.7 Ų52.741%0.40528%0.279SS..Hα-helixtrans-60.2-21.5176.9-56.90000114.2Y185 P260Y185-C262 WeakPolarHBondContact OH-CB 3.35Å; P260-C262 VanDerWaalsContact C-N 3.26Å; P260-C262 PolarHBondContact O-N 3.33Å
263F93.4Very high87.1Confident1 Ų150.6 Ų50.60%0.00427%0.273CS..Hα-helixtrans-87.9-50.2171.5177.6-87.6000110.9L170 L178 Y185 W187 V254 E259 P260 H261 R265 C266 F267 W270L170-F263 HydrophobicContact CD1-CE1 3.99Å; L170-F263 HydrophobicContact CD1-CZ 4.1Å; L170-F263 HydrophobicContact CD2-CZ 4.17Å; L178-F263 HydrophobicContact CB-CD2 4.28Å; L178-F263 HydrophobicContact CB-CE2 3.9Å; L178-F263 HydrophobicContact CD2-CD2 3.42Å; L178-F263 VanDerWaalsContact CD2-CD2 3.42Å; L178-F263 HydrophobicContact CD2-CE2 3.63Å; L178-F263 HydrophobicContact CD2-CG 4.05Å; L178-F263 HydrophobicContact CD2-CZ 4.41Å; L178-F263 HydrophobicContact CG-CD2 4.48Å; L178-F263 HydrophobicContact CG-CE2 4.44Å; Y185-F263 VanDerWaalsContact CB-CD2 3.47Å; Y185-F263 HydrophobicContact CD1-CB 4.28Å; Y185-F263 HydrophobicContact CD1-CD2 4.22Å; Y185-F263 HydrophobicContact CD2-CD2 4.03Å; Y185-F263 HydrophobicContact CE1-CB 4.42Å; Y185-F263 HydrophobicContact CG-CB 4.34Å; Y185-F263 AromaticContact CG-CD2 3.65Å; Y185-F263 HydrophobicContact CG-CD2 3.65Å; Y185-F263 HydrophobicContact CG-CG 4.49Å; W187-F263 HydrophobicContact CB-CE2 4.04Å; W187-F263 HydrophobicContact CB-CZ 3.86Å; W187-F263 AromaticContact CD1-CE1 3.98Å; W187-F263 AromaticContact CD1-CZ 3.69Å; W187-F263 AromaticContact CG-CZ 3.98Å; W187-F263 HydrophobicContact CG-CZ 3.98Å; V254-F263 HydrophobicContact CG2-CD2 4.23Å; E259-F263 HydrophobicContact CB-CD1 3.74Å; E259-F263 HydrophobicContact CB-CE1 4.29Å; E259-F263 HydrophobicContact CG-CD1 3.67Å; E259-F263 HydrophobicContact CG-CE1 3.7Å; P260-F263 HydrophobicContact CG-CB 3.96Å; P260-F263 WeakPolarHBondContact O-CA 3.13Å; P260-F263 VanDerWaalsContact O-CB 3.3Å; P260-F263 WeakPolarHBondContact O-CB 3.42Å; P260-F263 PolarHBondContact O-N 3.22Å; H261-F263 PolarHBondContact O-N 3.33Å; H261-F263 VanDerWaalsContact O-N 3.1Å; F263-R265 VanDerWaalsContact C-N 3.34Å; F263-R265 PolarHBondContact O-N 3.32Å; F263-C266 WeakPolarHBondContact O-CB 3.46Å; F263-C266 PolarHBondContact O-N 3.01Å; F263-F267 HydrophobicContact CD1-CD2 4.43Å; F263-F267 AromaticContact CD1-CE2 3.79Å; F263-F267 HydrophobicContact CD1-CE2 3.79Å; F263-F267 HydrophobicContact CE1-CD2 4.25Å; F263-F267 AromaticContact CE1-CE2 3.38Å; F263-F267 HydrophobicContact CE1-CE2 3.38Å; F263-F267 AromaticContact CE1-CZ 3.92Å; F263-F267 HydrophobicContact CE1-CZ 3.92Å; F263-F267 HydrophobicContact CE2-CE2 4.24Å; F263-F267 HydrophobicContact CE2-CZ 4.47Å; F263-F267 HydrophobicContact CG-CE2 4.38Å; F263-F267 AromaticContact CZ-CE2 3.64Å; F263-F267 HydrophobicContact CZ-CE2 3.64Å; F263-F267 AromaticContact CZ-CZ 3.79Å; F263-F267 HydrophobicContact CZ-CZ 3.79Å; F263-F267 WeakPolarHBondContact O-CD2 3.25Å; F263-F267 WeakPolarHBondContact O-CE2 3.47Å; F263-W270 HydrophobicContact CD1-CH2 4.35Å; F263-W270 AromaticContact CE1-CH2 3.81Å; F263-W270 HydrophobicContact CE1-CH2 3.81Å; F263-W270 HydrophobicContact CE1-CZ3 4.04Å
264T93.4Very high85.6Confident18 Ų1855.1 Ų55.111%0.1129%0.289CS..Hα-helixtrans-65.7-34.1-172.957.60000112.7E259 P260 H261 C266 F267 W270E259-T264 HydrophobicContact CB-CG2 3.44Å; E259-T264 VanDerWaalsContact CB-CG2 3.44Å; E259-T264 HydrophobicContact CG-CG2 4.47Å; P260-T264 PolarHBondContact O-N 2.85Å; H261-T264 WeakPolarHBondContact CA-OG1 3.28Å; H261-T264 PolarHBondContact O-N 3.15Å; H261-T264 VanDerWaalsContact O-N 3.15Å; H261-T264 PolarHBondContact O-OG1 3.24Å; T264-C266 PolarHBondContact O-N 3.18Å; T264-F267 PolarHBondContact O-N 3.36Å; T264-W270 HydrophobicContact CG2-CD2 3.72Å; T264-W270 VanDerWaalsContact CG2-CE2 3.44Å; T264-W270 HydrophobicContact CG2-CE3 4.41Å; T264-W270 HydrophobicContact CG2-CG 3.91Å; T264-W270 HydrophobicContact CG2-CZ2 3.92Å
265R92.4Very high83.1Confident35 Ų3557.9 Ų57.913%0.13231%0.308CS..THydrogen-bonded Turntrans-62.5-21.4177.870.4-171.9-81.6-173.3-11.8114R40 D135 D137 Y140 H261 F263 F267R40-R265 PolarHBondContact NH1-O 2.89Å; D135-R265 VanDerWaalsContact CG-CZ 3.41Å; D135-R265 IonicContact OD1-CZ 2.84Å; D135-R265 IonicContact OD1-NH1 2.73Å; D135-R265 PolarHBondContact OD1-NH1 2.83Å; D135-R265 IonicContact OD2-CZ 2.72Å; D135-R265 IonicContact OD2-NE 2.7Å; D135-R265 PolarHBondContact OD2-NE 3.22Å; D135-R265 IonicContact OD2-NH1 2.74Å; D135-R265 PolarHBondContact OD2-NH1 2.73Å; D135-R265 IonicContact OD2-NH2 3.77Å; D137-R265 PolarHBondContact O-NH2 3.07Å; D137-R265 IonicContact OD1-NH2 3.76Å; D137-R265 PolarHBondContact OD1-NH2 3.42Å; D137-R265 IonicContact OD2-CZ 3.96Å; D137-R265 IonicContact OD2-NH1 3.02Å; D137-R265 IonicContact OD2-NH2 3.06Å; D137-R265 PolarHBondContact OD2-NH2 3.49Å; Y140-R265 HydrophobicContact CD1-CG 4.39Å; Y140-R265 VanDerWaalsContact CD1-NE 3.33Å; Y140-R265 HydrophobicContact CE1-CG 4.14Å; Y140-R265 VanDerWaalsContact CE1-NH2 3.34Å; Y140-R265 HydrophobicContact CE2-CG 4.31Å; Y140-R265 WeakPolarHBondContact CE2-O 3.46Å; Y140-R265 PolarHBondContact OH-O 3.19Å; H261-R265 WeakPolarHBondContact O-CB 3.49Å; H261-R265 VanDerWaalsContact O-CG 3.31Å; H261-R265 WeakPolarHBondContact O-CG 3.28Å; H261-R265 PolarHBondContact O-N 3.46Å; F263-R265 VanDerWaalsContact C-N 3.34Å; F263-R265 PolarHBondContact O-N 3.32Å; R265-F267 PolarHBondContact O-N 3.36Å
266C93Very high80.8Confident1 Ų154.3 Ų54.31%0.00731%0.31CS..THydrogen-bonded Turntrans-65.8-26.5174.6-64.10000112.5R40 Y140 F165 L178 F263 T264R40-C266 PolarHBondContact NH2-O 3.25Å; Y140-C266 HydrophobicContact CD2-CB 4.44Å; F165-C266 HydrophobicContact CE2-CB 4.45Å; F165-C266 HydrophobicContact CZ-CB 4.48Å; L178-C266 HydrophobicContact CD1-CB 4.21Å; L178-C266 HydrophobicContact CD2-CB 3.78Å; F263-C266 WeakPolarHBondContact O-CB 3.46Å; F263-C266 PolarHBondContact O-N 3.01Å; T264-C266 PolarHBondContact O-N 3.18Å
267F93.4Very high78.2Confident5 Ų559.5 Ų59.52%0.02234%0.335CS..SBendtrans-95.2140.7-180-57.3-94.4000110.7L146 F165 L170 L178 F263 T264 R265 A269 W270L146-F267 HydrophobicContact CD1-CZ 4.42Å; L146-F267 HydrophobicContact CD2-CE1 4.22Å; F165-F267 AromaticContact CD2-CD1 3.65Å; F165-F267 HydrophobicContact CD2-CD1 3.65Å; F165-F267 AromaticContact CD2-CE1 3.52Å; F165-F267 HydrophobicContact CD2-CE1 3.52Å; F165-F267 HydrophobicContact CD2-CZ 4.29Å; F165-F267 AromaticContact CE2-CD1 3.82Å; F165-F267 HydrophobicContact CE2-CD1 3.82Å; F165-F267 AromaticContact CE2-CE1 3.71Å; F165-F267 HydrophobicContact CE2-CE1 3.71Å; F165-F267 HydrophobicContact CE2-CG 4.31Å; F165-F267 HydrophobicContact CE2-CZ 4.08Å; L170-F267 HydrophobicContact CD1-CE1 4.32Å; L170-F267 HydrophobicContact CD1-CZ 4.13Å; L170-F267 HydrophobicContact CD2-CE1 4.18Å; L170-F267 HydrophobicContact CD2-CZ 3.95Å; L170-F267 HydrophobicContact CG-CE1 4.19Å; L170-F267 HydrophobicContact CG-CZ 4.27Å; L178-F267 HydrophobicContact CD2-CE2 3.92Å; L178-F267 HydrophobicContact CD2-CZ 4.35Å; F263-F267 HydrophobicContact CD1-CD2 4.43Å; F263-F267 AromaticContact CD1-CE2 3.79Å; F263-F267 HydrophobicContact CD1-CE2 3.79Å; F263-F267 HydrophobicContact CE1-CD2 4.25Å; F263-F267 AromaticContact CE1-CE2 3.38Å; F263-F267 HydrophobicContact CE1-CE2 3.38Å; F263-F267 AromaticContact CE1-CZ 3.92Å; F263-F267 HydrophobicContact CE1-CZ 3.92Å; F263-F267 HydrophobicContact CE2-CE2 4.24Å; F263-F267 HydrophobicContact CE2-CZ 4.47Å; F263-F267 HydrophobicContact CG-CE2 4.38Å; F263-F267 AromaticContact CZ-CE2 3.64Å; F263-F267 HydrophobicContact CZ-CE2 3.64Å; F263-F267 AromaticContact CZ-CZ 3.79Å; F263-F267 HydrophobicContact CZ-CZ 3.79Å; F263-F267 WeakPolarHBondContact O-CD2 3.25Å; F263-F267 WeakPolarHBondContact O-CE2 3.47Å; T264-F267 PolarHBondContact O-N 3.36Å; R265-F267 PolarHBondContact O-N 3.36Å; F267-A269 PolarHBondContact O-N 3.49Å; F267-W270 HydrophobicContact CB-CE3 3.77Å; F267-W270 HydrophobicContact CB-CZ3 4.36Å; F267-W270 HydrophobicContact CD1-CZ3 4.3Å; F267-W270 AromaticContact CD2-CE3 3.72Å; F267-W270 HydrophobicContact CD2-CE3 3.72Å; F267-W270 AromaticContact CD2-CZ3 3.64Å; F267-W270 HydrophobicContact CD2-CZ3 3.64Å; F267-W270 HydrophobicContact CE2-CE3 4.49Å; F267-W270 AromaticContact CE2-CZ3 3.97Å; F267-W270 HydrophobicContact CE2-CZ3 3.97Å; F267-W270 AromaticContact CG-CE3 3.75Å; F267-W270 HydrophobicContact CG-CE3 3.75Å; F267-W270 AromaticContact CG-CZ3 3.84Å; F267-W270 HydrophobicContact CG-CZ3 3.84Å; F267-W270 HydrophobicContact CZ-CZ3 4.43Å
268H91.1Very high75.6Confident2 Ų261.6 Ų61.61%0.00933%0.332CS..THydrogen-bonded Turntrans-75.2128.6174.7-167.6-173.1000109.8Q4 H38 R49 I51 W270Q4-H268 PolarHBondContact OE1-O 3.15Å; H38-H268 AromaticContact CG-NE2 3.76Å; H38-H268 AromaticContact ND1-CD2 3.56Å; H38-H268 AromaticContact ND1-NE2 3.63Å; H38-H268 PolarHBondContact O-NE2 3.41Å; R49-H268 PolarHBondContact O-CE1 2.66Å; I51-H268 HydrophobicContact CD1-CB 4.45Å; I51-H268 WeakPolarHBondContact CD1-ND1 3.12Å; H268-W270 PolarHBondContact O-N 2.71Å
269A87.7Confident73Confident15 Ų1561.5 Ų61.512%0.12433%0.331CS..THydrogen-bonded Turntrans59.941.1173.400000115I51 I53 F267 G271I51-A269 HydrophobicContact CB-CB 3.85Å; I51-A269 HydrophobicContact CD1-CB 4.08Å; I51-A269 HydrophobicContact CG2-CB 3.4Å; I53-A269 HydrophobicContact CG2-CB 3.57Å; F267-A269 PolarHBondContact O-N 3.49Å; A269-G271 PolarHBondContact O-N 3.22Å
270W89.2Confident70Confident59 Ų5969.8 Ų69.822%0.22338%0.382CS..  trans-46.9138174.1-171.4-92.6000112.1Q167 L170 E259 F263 T264 F267 H268 F273Q167-W270 HydrophobicContact CB-CE3 4.03Å; Q167-W270 HydrophobicContact CB-CZ3 4.05Å; Q167-W270 HydrophobicContact CG-CD2 4.45Å; Q167-W270 HydrophobicContact CG-CE3 3.86Å; Q167-W270 HydrophobicContact CG-CH2 4.01Å; Q167-W270 HydrophobicContact CG-CZ3 3.64Å; L170-W270 HydrophobicContact CD1-CH2 3.43Å; L170-W270 VanDerWaalsContact CD1-CH2 3.43Å; L170-W270 HydrophobicContact CD1-CZ3 3.57Å; E259-W270 HydrophobicContact CB-CH2 4.48Å; E259-W270 HydrophobicContact CB-CZ2 3.97Å; E259-W270 HydrophobicContact CG-CH2 3.81Å; E259-W270 HydrophobicContact CG-CZ2 3.58Å; F263-W270 HydrophobicContact CD1-CH2 4.35Å; F263-W270 AromaticContact CE1-CH2 3.81Å; F263-W270 HydrophobicContact CE1-CH2 3.81Å; F263-W270 HydrophobicContact CE1-CZ3 4.04Å; T264-W270 HydrophobicContact CG2-CD2 3.72Å; T264-W270 VanDerWaalsContact CG2-CE2 3.44Å; T264-W270 HydrophobicContact CG2-CE3 4.41Å; T264-W270 HydrophobicContact CG2-CG 3.91Å; T264-W270 HydrophobicContact CG2-CZ2 3.92Å; F267-W270 HydrophobicContact CB-CE3 3.77Å; F267-W270 HydrophobicContact CB-CZ3 4.36Å; F267-W270 HydrophobicContact CD1-CZ3 4.3Å; F267-W270 AromaticContact CD2-CE3 3.72Å; F267-W270 HydrophobicContact CD2-CE3 3.72Å; F267-W270 AromaticContact CD2-CZ3 3.64Å; F267-W270 HydrophobicContact CD2-CZ3 3.64Å; F267-W270 HydrophobicContact CE2-CE3 4.49Å; F267-W270 AromaticContact CE2-CZ3 3.97Å; F267-W270 HydrophobicContact CE2-CZ3 3.97Å; F267-W270 AromaticContact CG-CE3 3.75Å; F267-W270 HydrophobicContact CG-CE3 3.75Å; F267-W270 AromaticContact CG-CZ3 3.84Å; F267-W270 HydrophobicContact CG-CZ3 3.84Å; F267-W270 HydrophobicContact CZ-CZ3 4.43Å; H268-W270 PolarHBondContact O-N 2.71Å; W270-F273 HydrophobicContact CH2-CE2 4.11Å; W270-F273 AromaticContact CH2-CZ 3.64Å; W270-F273 HydrophobicContact CH2-CZ 3.64Å; W270-F273 AromaticContact CZ2-CE2 3.76Å; W270-F273 HydrophobicContact CZ2-CE2 3.76Å; W270-F273 AromaticContact CZ2-CZ 3.78Å; W270-F273 HydrophobicContact CZ2-CZ 3.78Å
271G83.8Confident68.9Low14 Ų1470.5 Ų70.514%0.14438%0.383CS..  trans-148-178.8-179.900000112.5Q167 A269 F273Q167-G271 PolarHBondContact NE2-O 3.43Å; Q167-G271 PolarHBondContact OE1-O 3.2Å; A269-G271 PolarHBondContact O-N 3.22Å; G271-F273 PolarHBondContact O-N 3.44Å
272P76.6Confident67.7Low95 Ų9569.2 Ų69.262%0.61738%0.38SS*.  trans-59.6138.6169.825.9-32.6000109.8F274P272-F274 HydrophobicContact CG-CZ 4.28Å; P272-F274 WeakPolarHBondContact O-CD2 3.14Å; P272-F274 PolarHBondContact O-N 3.47Å; P272-F274 VanDerWaalsContact O-N 3.13Å
273F60.8Low66.4Low59 Ų5969.7 Ų69.726%0.25938%0.379SS..  trans-62.6116.3171.8-70.7-85000109Q167 L170 W187 K256 E259 W270 G271 S275Q167-F273 HydrophobicContact CG-CD1 4.26Å; Q167-F273 HydrophobicContact CG-CE1 3.78Å; Q167-F273 HydrophobicContact CG-CZ 4.25Å; L170-F273 HydrophobicContact CB-CE1 4.49Å; L170-F273 HydrophobicContact CD1-CE1 4.36Å; L170-F273 HydrophobicContact CD1-CZ 4.1Å; W187-F273 HydrophobicContact CZ2-CE1 4.46Å; W187-F273 HydrophobicContact CZ2-CZ 4.19Å; K256-F273 HydrophobicContact CG-CD2 4.04Å; K256-F273 HydrophobicContact CG-CE2 3.86Å; K256-F273 HydrophobicContact CG-CZ 4.18Å; E259-F273 WeakPolarHBondContact OE1-CE2 3.22Å; E259-F273 WeakPolarHBondContact OE1-CZ 3.47Å; W270-F273 HydrophobicContact CH2-CE2 4.11Å; W270-F273 AromaticContact CH2-CZ 3.64Å; W270-F273 HydrophobicContact CH2-CZ 3.64Å; W270-F273 AromaticContact CZ2-CE2 3.76Å; W270-F273 HydrophobicContact CZ2-CE2 3.76Å; W270-F273 AromaticContact CZ2-CZ 3.78Å; W270-F273 HydrophobicContact CZ2-CZ 3.78Å; G271-F273 PolarHBondContact O-N 3.44Å; F273-S275 PolarHBondContact O-N 2.55Å
274F52.4Low64.8Low178 Ų17873.7 Ų73.778%0.78140%0.401SS*.  trans-78.4114.8171.2-63.3-78.1000108.2P272 C276P272-F274 HydrophobicContact CG-CZ 4.28Å; P272-F274 WeakPolarHBondContact O-CD2 3.14Å; P272-F274 PolarHBondContact O-N 3.47Å; P272-F274 VanDerWaalsContact O-N 3.13Å; F274-C276 PolarHBondContact O-N 3.21Å
275S36.4Very low63Low60 Ų6077.2 Ų77.242%0.4242%0.419SS..  trans-63.8130.7166.152.50000108.8F273 E277 N278F273-S275 PolarHBondContact O-N 2.55Å; S275-E277 PolarHBondContact O-N 3.06Å; S275-N278 PolarHBondContact O-N 2.93Å; S275-N278 VanDerWaalsContact O-N 3.13Å
276C34.3Very low61Low105 Ų10580 Ų8071%0.70944%0.438SS*.G310 helixtrans-54.7-11.8173.1-92.60000113.6F274 N278 L279F274-C276 PolarHBondContact O-N 3.21Å; C276-N278 PolarHBondContact O-N 3.33Å; C276-L279 WeakPolarHBondContact O-CB 3.44Å; C276-L279 PolarHBondContact O-N 3.31Å
277E29.1Very low58.7Low171 Ų17185.6 Ų85.680%0.79947%0.469SS*.G310 helixtrans-64.9-15.7174.4-65.7-174.915600113.9S275 L279S275-E277 PolarHBondContact O-N 3.06Å; E277-L279 VanDerWaalsContact C-N 3.35Å
278N28.4Very low56.1Low105 Ų10591.8 Ų91.856%0.56150%0.503SS*.G310 helixtrans-94.113.8175.3-70.2-52.5000113.7K24 S275 C276K24-N278 PolarHBondContact NZ-O 2.84Å; S275-N278 PolarHBondContact O-N 2.93Å; S275-N278 VanDerWaalsContact O-N 3.13Å; C276-N278 PolarHBondContact O-N 3.33Å
279L30.1Very low53.1Low131 Ų13199.3 Ų99.369%0.68655%0.545SS*.  trans-101.265.9171.1-67.5168.3000110.4C276 E277C276-L279 WeakPolarHBondContact O-CB 3.44Å; C276-L279 PolarHBondContact O-N 3.31Å; E277-L279 VanDerWaalsContact C-N 3.35Å
280V29.1Very low50Low200 Ų200107 Ų107100%1.21258%0.583SS**  trans-1260160.6-171.60000108.5

Retrieved 280 of 280 residues in 371.4 ms (Link to these results)

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