A0A087XTE7_POEFO Loading...

Kelch-like family member 41a

AlphaFold DB , UniProt , Accession A0A087XTE7, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 598 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
1M58.8Low80.2Confident239 Ų239126.9 Ų126.9100%1.17762%0.623SS**  0117.40-89.2-179.9-86.100106.8A3M1-A3 PolarHBondContact O-N 3.15Å
2D75.3Confident80.9Confident110 Ų110125.5 Ų125.559%0.58862%0.619SS**  trans-71.8118.2-179.1-179.911.6000109.4Q4 G5 L6D2-Q4 PolarHBondContact O-N 2.87Å; D2-Q4 WeakPolarHBondContact OD1-CB 3.39Å; D2-Q4 PolarHBondContact OD1-N 3.45Å; D2-G5 PolarHBondContact O-N 3.35Å; D2-L6 PolarHBondContact O-N 2.94Å
3A74.1Confident81.5Confident68 Ų68126.5 Ų126.556%0.56262%0.618SS**Hα-helixtrans-66.4-19.3-18000000112.2M1 R7M1-A3 PolarHBondContact O-N 3.15Å; A3-R7 WeakPolarHBondContact O-CG 3.46Å
4Q73.9Confident82.2Confident124 Ų124125.6 Ų125.658%0.57961%0.612SS**Hα-helixtrans-77-48174.6-169.1166.7-16.400111D2 L6 R7 E8D2-Q4 PolarHBondContact O-N 2.87Å; D2-Q4 WeakPolarHBondContact OD1-CB 3.39Å; D2-Q4 PolarHBondContact OD1-N 3.45Å; Q4-L6 PolarHBondContact O-N 3.2Å; Q4-R7 PolarHBondContact O-N 2.97Å; Q4-R7 VanDerWaalsContact O-N 3.12Å; Q4-E8 PolarHBondContact O-N 2.8Å; Q4-E8 VanDerWaalsContact O-N 3.1Å
5G81Confident82.6Confident20 Ų20120.8 Ų120.821%0.20660%0.596CS.*Hα-helixtrans-54.9-45.2173.600000113.5D2 R7 E8 D9D2-G5 PolarHBondContact O-N 3.35Å; G5-R7 VanDerWaalsContact C-N 3.28Å; G5-R7 PolarHBondContact O-N 2.99Å; G5-E8 PolarHBondContact O-N 2.8Å; G5-E8 VanDerWaalsContact O-N 3.17Å; G5-D9 VanDerWaalsContact O-CG 3.26Å; G5-D9 PolarHBondContact O-N 3.32Å
6L82.9Confident83Confident109 Ų109116.9 Ų116.957%0.57158%0.582SS**Hα-helixtrans-63.4-31.9179.2-166.973.7000113.2D2 Q4 L10D2-L6 PolarHBondContact O-N 2.94Å; Q4-L6 PolarHBondContact O-N 3.2Å; L6-L10 WeakPolarHBondContact O-CG 3.39Å; L6-L10 PolarHBondContact O-N 2.96Å; L6-L10 VanDerWaalsContact O-N 3.15Å
7R85.1Confident83.5Confident193 Ų193115.7 Ų115.773%0.72858%0.577SS**Hα-helixtrans-73.5-37.8176.6-74.5174.8-179.1-176.61.6111.7A3 Q4 G5 R11A3-R7 WeakPolarHBondContact O-CG 3.46Å; Q4-R7 PolarHBondContact O-N 2.97Å; Q4-R7 VanDerWaalsContact O-N 3.12Å; G5-R7 VanDerWaalsContact C-N 3.28Å; G5-R7 PolarHBondContact O-N 2.99Å; R7-R11 WeakPolarHBondContact O-CB 3.49Å; R7-R11 PolarHBondContact O-N 3.08Å
8E87.3Confident83.9Confident116 Ų116115 Ų11554%0.54258%0.575SS.*Hα-helixtrans-66.6-43175.9-71.2175.8-17600110.8Q4 G5 L10 R11 L12Q4-E8 PolarHBondContact O-N 2.8Å; Q4-E8 VanDerWaalsContact O-N 3.1Å; G5-E8 PolarHBondContact O-N 2.8Å; G5-E8 VanDerWaalsContact O-N 3.17Å; E8-L10 PolarHBondContact O-N 2.88Å; E8-R11 PolarHBondContact O-N 2.81Å; E8-L12 WeakPolarHBondContact O-CB 3.47Å; E8-L12 PolarHBondContact O-N 3.5Å
9D87.2Confident84.3Confident103 Ų103112.2 Ų112.255%0.55156%0.56SS**Hα-helixtrans-60.3-46.4175.8-68.2-22.6000112.2G5 R11 L12 F13G5-D9 VanDerWaalsContact O-CG 3.26Å; G5-D9 PolarHBondContact O-N 3.32Å; D9-R11 VanDerWaalsContact C-N 3.34Å; D9-R11 PolarHBondContact O-N 3.41Å; D9-L12 PolarHBondContact O-N 3.13Å; D9-F13 WeakPolarHBondContact O-CB 3.47Å; D9-F13 PolarHBondContact O-N 2.97Å
10L87.9Confident84.6Confident110 Ų110110.5 Ų110.558%0.57655%0.553SS**Hα-helixtrans-64.1-39.2177.3-77.2171.3000112.3L6 E8 Q14L6-L10 WeakPolarHBondContact O-CG 3.39Å; L6-L10 PolarHBondContact O-N 2.96Å; L6-L10 VanDerWaalsContact O-N 3.15Å; E8-L10 PolarHBondContact O-N 2.88Å; L10-Q14 WeakPolarHBondContact O-CB 3.33Å; L10-Q14 PolarHBondContact O-N 3.47Å
11R89Confident84.9Confident204 Ų204106.5 Ų106.577%0.7754%0.54SS*.Hα-helixtrans-65.9-44.3176.4-177.4-179.2175.2-173.4-1.9110.8R7 E8 D9 Q14 S15R7-R11 WeakPolarHBondContact O-CB 3.49Å; R7-R11 PolarHBondContact O-N 3.08Å; E8-R11 PolarHBondContact O-N 2.81Å; D9-R11 VanDerWaalsContact C-N 3.34Å; D9-R11 PolarHBondContact O-N 3.41Å; R11-Q14 PolarHBondContact O-N 3.5Å; R11-S15 WeakPolarHBondContact O-CB 3.44Å; R11-S15 PolarHBondContact O-N 2.98Å; R11-S15 PolarHBondContact O-OG 2.77Å
12L87.9Confident86.5Confident110 Ų11097.4 Ų97.458%0.57650%0.495SS*.Hα-helixtrans-61.1-51.3177.5-175.563.8000110.2E8 D9 Q14 S15 T16E8-L12 WeakPolarHBondContact O-CB 3.47Å; E8-L12 PolarHBondContact O-N 3.5Å; D9-L12 PolarHBondContact O-N 3.13Å; L12-Q14 PolarHBondContact O-N 3.44Å; L12-S15 WeakPolarHBondContact CA-OG 3.17Å; L12-S15 PolarHBondContact O-N 2.83Å; L12-S15 VanDerWaalsContact O-N 3.11Å; L12-S15 PolarHBondContact O-OG 2.79Å; L12-T16 PolarHBondContact O-N 2.73Å; L12-T16 PolarHBondContact O-OG1 3.06Å; L12-T16 VanDerWaalsContact O-OG1 3.05Å
13F88.8Confident87.2Confident138 Ų13895.6 Ų95.661%0.60548%0.482SS*.Hα-helixtrans-55-49.7177.5-178.7-96.2000112.4D9 S15 T16 L17D9-F13 WeakPolarHBondContact O-CB 3.47Å; D9-F13 PolarHBondContact O-N 2.97Å; F13-S15 VanDerWaalsContact C-N 3.32Å; F13-S15 PolarHBondContact O-N 3.03Å; F13-T16 PolarHBondContact O-N 3.02Å; F13-L17 HydrophobicContact CE1-CD2 4.37Å; F13-L17 WeakPolarHBondContact O-CB 3.33Å; F13-L17 PolarHBondContact O-N 3.46Å
14Q91.6Very high88.1Confident114 Ų11498.3 Ų98.353%0.53348%0.483SS..Hα-helixtrans-64.7-36.5179-175.560.337.400112.2L10 R11 L12 L18L10-Q14 WeakPolarHBondContact O-CB 3.33Å; L10-Q14 PolarHBondContact O-N 3.47Å; R11-Q14 PolarHBondContact O-N 3.5Å; L12-Q14 PolarHBondContact O-N 3.44Å; Q14-L18 WeakPolarHBondContact O-CB 3.5Å; Q14-L18 PolarHBondContact O-N 2.82Å; Q14-L18 VanDerWaalsContact O-N 3.09Å
15S88.5Confident89.1Confident54 Ų5495.2 Ų95.238%0.37847%0.47SS..Hα-helixtrans-67.8-43.4177.263.80000112.3R11 L12 F13 L18 Q19R11-S15 WeakPolarHBondContact O-CB 3.44Å; R11-S15 PolarHBondContact O-N 2.98Å; R11-S15 PolarHBondContact O-OG 2.77Å; L12-S15 WeakPolarHBondContact CA-OG 3.17Å; L12-S15 PolarHBondContact O-N 2.83Å; L12-S15 VanDerWaalsContact O-N 3.11Å; L12-S15 PolarHBondContact O-OG 2.79Å; F13-S15 VanDerWaalsContact C-N 3.32Å; F13-S15 PolarHBondContact O-N 3.03Å; S15-L18 PolarHBondContact O-N 2.92Å; S15-Q19 VanDerWaalsContact O-CB 3.26Å; S15-Q19 WeakPolarHBondContact O-CB 3.1Å; S15-Q19 PolarHBondContact O-N 2.75Å
16T89.1Confident89.6Confident59 Ų5994.9 Ų94.936%0.36246%0.464SS..Hα-helixtrans-64.2-46.7176.8-54.40000110.9L12 F13 L18 Q19 D20L12-T16 PolarHBondContact O-N 2.73Å; L12-T16 PolarHBondContact O-OG1 3.06Å; L12-T16 VanDerWaalsContact O-OG1 3.05Å; F13-T16 PolarHBondContact O-N 3.02Å; T16-L18 VanDerWaalsContact C-N 3.33Å; T16-L18 PolarHBondContact O-N 2.77Å; T16-Q19 WeakPolarHBondContact O-CB 3.35Å; T16-Q19 PolarHBondContact O-N 2.83Å; T16-Q19 VanDerWaalsContact O-N 3.17Å; T16-D20 PolarHBondContact O-N 3.04Å
17L91.3Very high90Very high96 Ų9694.9 Ų94.950%0.50346%0.464SS..Hα-helixtrans-59.8-42.5178.1-177.666.8000112.4F13 G21F13-L17 HydrophobicContact CE1-CD2 4.37Å; F13-L17 WeakPolarHBondContact O-CB 3.33Å; F13-L17 PolarHBondContact O-N 3.46Å; L17-G21 PolarHBondContact O-N 2.93Å
18L90.8Very high90.4Very high103 Ų10391.6 Ų91.654%0.53946%0.457SS..Hα-helixtrans-63.5-44.3176.517763.3000111.2Q14 S15 T16 G21 L22Q14-L18 WeakPolarHBondContact O-CB 3.5Å; Q14-L18 PolarHBondContact O-N 2.82Å; Q14-L18 VanDerWaalsContact O-N 3.09Å; S15-L18 PolarHBondContact O-N 2.92Å; T16-L18 VanDerWaalsContact C-N 3.33Å; T16-L18 PolarHBondContact O-N 2.77Å; L18-G21 PolarHBondContact O-N 3.19Å; L18-L22 HydrophobicContact CD1-CD1 4.25Å; L18-L22 HydrophobicContact CD1-CG 4.32Å; L18-L22 HydrophobicContact CG-CD1 4.06Å; L18-L22 VanDerWaalsContact O-CG 3.25Å; L18-L22 WeakPolarHBondContact O-CG 3.05Å; L18-L22 PolarHBondContact O-N 3.2Å
19Q90.5Very high90.5Very high61 Ų6190.8 Ų90.829%0.28546%0.457SS..Hα-helixtrans-64.5-46.6-178.7-174.9-177.9-42.400111.9S15 T16 G21 L22 K23 Y92 S93S15-Q19 VanDerWaalsContact O-CB 3.26Å; S15-Q19 WeakPolarHBondContact O-CB 3.1Å; S15-Q19 PolarHBondContact O-N 2.75Å; T16-Q19 WeakPolarHBondContact O-CB 3.35Å; T16-Q19 PolarHBondContact O-N 2.83Å; T16-Q19 VanDerWaalsContact O-N 3.17Å; Q19-G21 PolarHBondContact O-N 2.84Å; Q19-L22 PolarHBondContact O-N 3.29Å; Q19-K23 WeakPolarHBondContact O-CB 3.4Å; Q19-K23 PolarHBondContact O-N 2.91Å; Q19-Y92 WeakPolarHBondContact CG-O 3.38Å; Q19-S93 PolarHBondContact NE2-O 3.5Å
20D90.5Very high90.7Very high79 Ų7991.1 Ų91.142%0.42245%0.453SS..Hα-helixtrans-60.5-45.2175.5-70.4-22.3000111T16 L22 K23 E24T16-D20 PolarHBondContact O-N 3.04Å; D20-L22 PolarHBondContact O-N 3.15Å; D20-K23 WeakPolarHBondContact O-CB 3.5Å; D20-K23 PolarHBondContact O-N 3.22Å; D20-E24 WeakPolarHBondContact O-CG 3.49Å; D20-E24 PolarHBondContact O-N 2.9Å
21G91.9Very high90.7Very high27 Ų2792.3 Ų92.328%0.27846%0.46SS..Hα-helixtrans-61.4-40.3176.300000113.3L17 L18 Q19 K23 E24 L25L17-G21 PolarHBondContact O-N 2.93Å; L18-G21 PolarHBondContact O-N 3.19Å; Q19-G21 PolarHBondContact O-N 2.84Å; G21-K23 VanDerWaalsContact C-N 3.35Å; G21-E24 PolarHBondContact O-N 2.89Å; G21-L25 VanDerWaalsContact O-CG 3.31Å; G21-L25 WeakPolarHBondContact O-CG 3.48Å; G21-L25 PolarHBondContact O-N 2.71Å
22L91.8Very high90.8Very high47 Ų4785 Ų8525%0.24644%0.435CS..Hα-helixtrans-65.6-38.2175.5-72.5169.6000112L18 Q19 D20 L25 L26 I49 Y92L18-L22 HydrophobicContact CD1-CD1 4.25Å; L18-L22 HydrophobicContact CD1-CG 4.32Å; L18-L22 HydrophobicContact CG-CD1 4.06Å; L18-L22 VanDerWaalsContact O-CG 3.25Å; L18-L22 WeakPolarHBondContact O-CG 3.05Å; L18-L22 PolarHBondContact O-N 3.2Å; Q19-L22 PolarHBondContact O-N 3.29Å; D20-L22 PolarHBondContact O-N 3.15Å; L22-L25 PolarHBondContact O-N 3.15Å; L22-L26 PolarHBondContact O-N 3.42Å; L22-L26 VanDerWaalsContact O-N 3.13Å; L22-I49 HydrophobicContact CD1-CD1 3.69Å; L22-I49 HydrophobicContact CD2-CD1 4.09Å; L22-I49 HydrophobicContact CG-CD1 4.45Å; L22-Y92 HydrophobicContact CB-CD1 4.07Å; L22-Y92 HydrophobicContact CB-CE1 4.5Å; L22-Y92 WeakPolarHBondContact O-CD1 3.2Å
23K91.2Very high90.9Very high72 Ų7283.2 Ų83.231%0.31343%0.426SS..Hα-helixtrans-67.5-40.3176.4-171.6177.8-179.2-178.40111.8Q19 D20 G21 L26 N27Q19-K23 WeakPolarHBondContact O-CB 3.4Å; Q19-K23 PolarHBondContact O-N 2.91Å; D20-K23 WeakPolarHBondContact O-CB 3.5Å; D20-K23 PolarHBondContact O-N 3.22Å; G21-K23 VanDerWaalsContact C-N 3.35Å; K23-L26 WeakPolarHBondContact O-CB 3.3Å; K23-L26 PolarHBondContact O-N 3.48Å; K23-N27 VanDerWaalsContact O-CG 3.27Å; K23-N27 PolarHBondContact O-N 3.43Å; K23-N27 PolarHBondContact O-ND2 3.11Å
24E92.8Very high91Very high125 Ų12576.7 Ų76.758%0.58440%0.398SS*.Hα-helixtrans-60.8-46173.3-74.8-179.217200111.7D20 G21 L26 N27 E28D20-E24 WeakPolarHBondContact O-CG 3.49Å; D20-E24 PolarHBondContact O-N 2.9Å; G21-E24 PolarHBondContact O-N 2.89Å; E24-L26 VanDerWaalsContact C-N 3.29Å; E24-L26 PolarHBondContact O-N 2.86Å; E24-N27 PolarHBondContact O-N 3.41Å; E24-N27 VanDerWaalsContact O-N 3.14Å; E24-E28 WeakPolarHBondContact O-CG 3.36Å; E24-E28 PolarHBondContact O-N 3.37Å
25L93.2Very high91Very high59 Ų5973.1 Ų73.131%0.30938%0.384SS..Hα-helixtrans-59.5-39.2177.2-71172.3000112.6G21 L22 N29 K30G21-L25 VanDerWaalsContact O-CG 3.31Å; G21-L25 WeakPolarHBondContact O-CG 3.48Å; G21-L25 PolarHBondContact O-N 2.71Å; L22-L25 PolarHBondContact O-N 3.15Å; L25-N29 PolarHBondContact O-N 3.44Å; L25-K30 HydrophobicContact CD2-CB 3.77Å; L25-K30 HydrophobicContact CD2-CG 4.33Å; L25-K30 PolarHBondContact O-N 3.13Å
26L92.1Very high91.3Very high14 Ų1470.6 Ų70.67%0.07337%0.366CS..Hα-helixtrans-62-49.7173.5-177.870.6000111.4L22 K23 E24 E28 N29 I32 P44 V88 Y92L22-L26 PolarHBondContact O-N 3.42Å; L22-L26 VanDerWaalsContact O-N 3.13Å; K23-L26 WeakPolarHBondContact O-CB 3.3Å; K23-L26 PolarHBondContact O-N 3.48Å; E24-L26 VanDerWaalsContact C-N 3.29Å; E24-L26 PolarHBondContact O-N 2.86Å; L26-E28 VanDerWaalsContact C-N 3.28Å; L26-E28 PolarHBondContact O-N 3.05Å; L26-N29 PolarHBondContact O-N 3.48Å; L26-I32 HydrophobicContact CD1-CD1 4.09Å; L26-P44 VanDerWaalsContact CD1-O 3.29Å; L26-P44 WeakPolarHBondContact CD1-O 3.37Å; L26-V88 HydrophobicContact CD2-CG1 4.39Å; L26-Y92 HydrophobicContact CB-CD1 4.18Å; L26-Y92 HydrophobicContact CB-CE1 4.12Å; L26-Y92 HydrophobicContact CD1-CE2 4.24Å; L26-Y92 HydrophobicContact CD2-CD1 4.21Å; L26-Y92 HydrophobicContact CD2-CD2 3.6Å; L26-Y92 HydrophobicContact CD2-CE1 4.37Å; L26-Y92 HydrophobicContact CD2-CE2 3.79Å; L26-Y92 HydrophobicContact CD2-CG 3.83Å
27N91.6Very high91.4Very high108 Ų10870.7 Ų70.758%0.57836%0.361SS*.Hα-helixtrans-62.1-35.1-178.8-69.8-21.9000112.6K23 E24 N29K23-N27 VanDerWaalsContact O-CG 3.27Å; K23-N27 PolarHBondContact O-N 3.43Å; K23-N27 PolarHBondContact O-ND2 3.11Å; E24-N27 PolarHBondContact O-N 3.41Å; E24-N27 VanDerWaalsContact O-N 3.14Å; N27-N29 VanDerWaalsContact C-N 3.28Å; N27-N29 PolarHBondContact O-N 3.46Å
28E93.3Very high91.5Very high124 Ų12466.1 Ų66.158%0.57934%0.337SS*.THydrogen-bonded Turntrans-82.6-0.8176.6-67.3-170.417700114.1E24 L26 K30E24-E28 WeakPolarHBondContact O-CG 3.36Å; E24-E28 PolarHBondContact O-N 3.37Å; L26-E28 VanDerWaalsContact C-N 3.28Å; L26-E28 PolarHBondContact O-N 3.05Å; E28-K30 HydrophobicContact CB-CG 3.71Å; E28-K30 PolarHBondContact O-N 3.27Å
29N90.8Very high91.3Very high99 Ų9964.8 Ų64.853%0.52935%0.349SS..THydrogen-bonded Turntrans52.939.1-173-62-74.5000113.1L25 L26 N27 I32 P44L25-N29 PolarHBondContact O-N 3.44Å; L26-N29 PolarHBondContact O-N 3.48Å; N27-N29 VanDerWaalsContact C-N 3.28Å; N27-N29 PolarHBondContact O-N 3.46Å; N29-I32 HydrophobicContact CB-CG1 4.35Å; N29-P44 WeakPolarHBondContact OD1-CG 3.15Å
30K90.3Very high91.1Very high110 Ų11069 Ų6948%0.47837%0.373SS..  trans-91.6143.1176.3-61.2-64.5180-179.80109.8L25 E28 I32 H46L25-K30 HydrophobicContact CD2-CB 3.77Å; L25-K30 HydrophobicContact CD2-CG 4.33Å; L25-K30 PolarHBondContact O-N 3.13Å; E28-K30 HydrophobicContact CB-CG 3.71Å; E28-K30 PolarHBondContact O-N 3.27Å; K30-I32 PolarHBondContact O-N 3.25Å; K30-I32 VanDerWaalsContact O-N 3.1Å; K30-H46 PolarHBondContact O-NE2 3.4Å
31L88.4Confident91.1Very high136 Ų13669.7 Ų69.771%0.71237%0.37SS*.SBendtrans57.321.7175.3-55.7175.3000115.4D33 H46L31-D33 PolarHBondContact O-N 2.98Å; L31-H46 PolarHBondContact O-CD2 2.63Å
32I90.1Very high91.2Very high51 Ų5172 Ų7226%0.26238%0.381SS..  trans-66.6120.1176.2-56.3-58.2000110.2L26 N29 K30 C34 V35 P44L26-I32 HydrophobicContact CD1-CD1 4.09Å; N29-I32 HydrophobicContact CB-CG1 4.35Å; K30-I32 PolarHBondContact O-N 3.25Å; K30-I32 VanDerWaalsContact O-N 3.1Å; I32-C34 WeakPolarHBondContact CG2-O 3.2Å; I32-V35 HydrophobicContact CG2-CG2 4.49Å; I32-P44 HydrophobicContact CD1-CB 3.99Å; I32-P44 HydrophobicContact CG1-CB 4.04Å; I32-P44 HydrophobicContact CG2-CB 3.85Å
33D89.7Confident91.3Very high71 Ų7170.4 Ų70.438%0.3837%0.373SS..  trans-119.20.5-179.3595.5000112.7L31 H46 Q47L31-D33 PolarHBondContact O-N 2.98Å; D33-H46 WeakPolarHBondContact OD1-CA 3.07Å; D33-Q47 PolarHBondContact O-NE2 3.14Å; D33-Q47 WeakPolarHBondContact OD1-CG 3.32Å; D33-Q47 PolarHBondContact OD1-N 3.36Å
34C91.1Very high91.4Very high1 Ų168.9 Ų68.91%0.00737%0.371CS..EExtended strand (participates in β ladder)trans-148.3144.2174.6172.10000112I32 S45 Q47 F61 K72I32-C34 WeakPolarHBondContact CG2-O 3.2Å; C34-S45 PolarHBondContact N-O 3.06Å; C34-S45 PolarHBondContact O-N 2.83Å; C34-Q47 HydrophobicContact CB-CG 3.49Å; C34-Q47 VanDerWaalsContact CB-CG 3.49Å; C34-F61 HydrophobicContact CB-CZ 4.48Å; C34-K72 CarbonylContact C-O 3.53Å
35V92.8Very high91.4Very high40 Ų4063 Ų6324%0.24234%0.343CS..EExtended strand (participates in β ladder)trans-123.2120.8170.4-178.60000109.7I32 I43 K72 E73 V74I32-V35 HydrophobicContact CG2-CG2 4.49Å; V35-I43 WeakPolarHBondContact CA-O 3.49Å; V35-K72 PolarHBondContact N-O 2.87Å; V35-E73 WeakPolarHBondContact O-CA 3.4Å; V35-V74 PolarHBondContact O-N 3.22Å
36L93.4Very high91.4Very high0 Ų060.9 Ų60.90%033%0.332CS..EExtended strand (participates in β ladder)trans-85.4116.5173.7-54.7-178.5000109.2I43 L50 F57 V74 L76 M84 V88L36-I43 HydrophobicContact CB-CB 4.32Å; L36-I43 PolarHBondContact N-O 3.41Å; L36-I43 PolarHBondContact O-N 2.89Å; L36-L50 HydrophobicContact CD1-CD1 4.17Å; L36-L50 HydrophobicContact CD1-CD2 4.49Å; L36-L50 HydrophobicContact CD2-CD1 4.09Å; L36-L50 HydrophobicContact CG-CD1 4.35Å; L36-F57 HydrophobicContact CD1-CZ 4.39Å; L36-F57 HydrophobicContact CD2-CE1 4.15Å; L36-V74 CarbonylContact C-O 3.53Å; L36-V74 WeakPolarHBondContact CA-O 3.3Å; L36-V74 HydrophobicContact CD2-CB 3.83Å; L36-V74 HydrophobicContact CD2-CG1 4.23Å; L36-V74 HydrophobicContact CD2-CG2 4.39Å; L36-L76 HydrophobicContact CB-CD1 4.36Å; L36-L76 HydrophobicContact CD1-CD1 4.36Å; L36-L76 HydrophobicContact CD2-CD1 4.48Å; L36-M84 HydrophobicContact CD1-CE 3.77Å; L36-V88 HydrophobicContact CD1-CG2 4.02Å
37K93Very high91.3Very high62 Ų6261.3 Ų61.327%0.2733%0.333SS..EExtended strand (participates in β ladder)trans-94.4112.2175.6-70.9-175.2174173.20109.5E73 V74 V75 L76K37-E73 VanDerWaalsContact CE-CD 3.45Å; K37-E73 VanDerWaalsContact CE-OE1 3.3Å; K37-E73 WeakPolarHBondContact CE-OE1 3.45Å; K37-E73 WeakPolarHBondContact CE-OE2 3.33Å; K37-E73 IonicContact NZ-OE1 3.29Å; K37-E73 PolarHBondContact NZ-OE1 3.2Å; K37-E73 IonicContact NZ-OE2 3.72Å; K37-E73 PolarHBondContact NZ-OE2 3.09Å; K37-V74 PolarHBondContact N-O 3.03Å; K37-V75 HydrophobicContact CB-CG2 4.22Å; K37-V75 HydrophobicContact CD-CG2 4.4Å; K37-L76 PolarHBondContact O-N 3.29Å
38V92.7Very high91.2Very high0 Ų062.1 Ų62.10%034%0.337CS..EExtended strand (participates in β ladder)trans-122.4104.7-179.2-168.60000108.2D40 R41 I43 L76 L79 P81 M84V38-D40 PolarHBondContact O-N 3.4Å; V38-D40 VanDerWaalsContact O-N 3.16Å; V38-R41 PolarHBondContact N-O 2.99Å; V38-R41 PolarHBondContact O-N 3.48Å; V38-I43 HydrophobicContact CG2-CD1 4.15Å; V38-L76 HydrophobicContact CG2-CB 4.2Å; V38-L76 HydrophobicContact CG2-CD1 4.13Å; V38-L79 HydrophobicContact CG1-CB 3.79Å; V38-L79 HydrophobicContact CG1-CD2 3.85Å; V38-L79 HydrophobicContact CG1-CG 3.76Å; V38-L79 WeakPolarHBondContact CG1-O 3.48Å; V38-L79 HydrophobicContact CG2-CD2 4.27Å; V38-P81 HydrophobicContact CB-CB 4.42Å; V38-P81 HydrophobicContact CB-CG 4.5Å; V38-P81 HydrophobicContact CG1-CB 4.3Å; V38-P81 HydrophobicContact CG1-CG 4.13Å; V38-P81 WeakPolarHBondContact O-CG 3.48Å; V38-M84 HydrophobicContact CG2-CB 4.06Å; V38-M84 HydrophobicContact CG2-CG 3.91Å
39G86.2Confident91.2Very high75 Ų7557.1 Ų57.177%0.77331%0.314SS*.THydrogen-bonded Turntrans58.3-118.2-173.100000111.7
40D85.8Confident91.2Very high150 Ų15052.4 Ų52.480%0.80229%0.289SS*.THydrogen-bonded Turntrans-93-5.5177.765.1-23.5000114V38V38-D40 PolarHBondContact O-N 3.4Å; V38-D40 VanDerWaalsContact O-N 3.16Å
41R91.8Very high91.3Very high92 Ų9247.4 Ų47.435%0.34727%0.268SS..EExtended strand (participates in β ladder)trans-96.7145.7179.2-60.3-159.1-172.7166.47.2112.4V38 P81 N82 E85V38-R41 PolarHBondContact N-O 2.99Å; V38-R41 PolarHBondContact O-N 3.48Å; R41-P81 HydrophobicContact CB-CB 3.95Å; R41-P81 HydrophobicContact CG-CB 3.7Å; R41-P81 HydrophobicContact CG-CG 4.22Å; R41-N82 VanDerWaalsContact CZ-OD1 3.22Å; R41-N82 PolarHBondContact NH1-OD1 3.07Å; R41-N82 PolarHBondContact NH2-OD1 3.1Å; R41-E85 IonicContact NH1-OE2 2.77Å; R41-E85 PolarHBondContact NH1-OE2 2.93Å
42S92.8Very high91.4Very high75 Ų7543.7 Ų43.752%0.52426%0.257SS..EExtended strand (participates in β ladder)trans-117.3118.3172-64.80000108.9
43I93.8Very high91.5Very high15 Ų1543.7 Ų43.78%0.07726%0.261CS..EExtended strand (participates in β ladder)trans-106.9110.2-176.7-54.6173.2000107.8V35 L36 V38 M84 E85 V88V35-I43 WeakPolarHBondContact CA-O 3.49Å; L36-I43 HydrophobicContact CB-CB 4.32Å; L36-I43 PolarHBondContact N-O 3.41Å; L36-I43 PolarHBondContact O-N 2.89Å; V38-I43 HydrophobicContact CG2-CD1 4.15Å; I43-M84 HydrophobicContact CD1-CB 4.01Å; I43-M84 HydrophobicContact CD1-CG 3.97Å; I43-E85 HydrophobicContact CD1-CB 4.26Å; I43-V88 HydrophobicContact CG2-CB 4.32Å; I43-V88 HydrophobicContact CG2-CG1 4.16Å; I43-V88 HydrophobicContact CG2-CG2 4.09Å
44P93.3Very high91.7Very high40 Ų4040.3 Ų40.326%0.2624%0.243SC..EExtended strand (participates in β ladder)trans-66.1141.5174.86.72.2000109.8L26 N29 I32L26-P44 VanDerWaalsContact CD1-O 3.29Å; L26-P44 WeakPolarHBondContact CD1-O 3.37Å; N29-P44 WeakPolarHBondContact OD1-CG 3.15Å; I32-P44 HydrophobicContact CD1-CB 3.99Å; I32-P44 HydrophobicContact CG1-CB 4.04Å; I32-P44 HydrophobicContact CG2-CB 3.85Å
45S93.1Very high91.8Very high0 Ų042.7 Ų42.70%026%0.258CS..EExtended strand (participates in β ladder)trans-156.2165.3-177.2-66.20000112.2C34C34-S45 PolarHBondContact N-O 3.06Å; C34-S45 PolarHBondContact O-N 2.83Å
46H93Very high91.8Very high15 Ų1544 Ų447%0.06926%0.259CS..  trans-105.3123.1174.6-56.483.9000110K30 L31 D33 L48 I49 L50 Y92K30-H46 PolarHBondContact O-NE2 3.4Å; L31-H46 PolarHBondContact O-CD2 2.63Å; D33-H46 WeakPolarHBondContact OD1-CA 3.07Å; H46-L48 PolarHBondContact O-N 3.31Å; H46-I49 HydrophobicContact CB-CB 4.43Å; H46-I49 HydrophobicContact CB-CG1 4.05Å; H46-I49 PolarHBondContact O-N 3.4Å; H46-I49 VanDerWaalsContact O-N 3.11Å; H46-L50 PolarHBondContact O-N 2.9Å; H46-L50 VanDerWaalsContact O-N 3.16Å; H46-Y92 VanDerWaalsContact CB-OH 3.26Å; H46-Y92 WeakPolarHBondContact CB-OH 3.47Å; H46-Y92 PolarHBondContact N-OH 3.34Å; H46-Y92 AromaticContact ND1-CE1 3.6Å; H46-Y92 AromaticContact ND1-CZ 3.58Å; H46-Y92 PolarHBondContact ND1-OH 2.73Å
47Q91Very high91.7Very high23 Ų2344 Ų4411%0.10726%0.259CS..Hα-helixtrans-54.9-40179.7-66.8-175.223.300111.5D33 C34 I49 L50 A51 F61D33-Q47 PolarHBondContact O-NE2 3.14Å; D33-Q47 WeakPolarHBondContact OD1-CG 3.32Å; D33-Q47 PolarHBondContact OD1-N 3.36Å; C34-Q47 HydrophobicContact CB-CG 3.49Å; C34-Q47 VanDerWaalsContact CB-CG 3.49Å; Q47-I49 VanDerWaalsContact C-N 3.35Å; Q47-I49 PolarHBondContact O-N 2.75Å; Q47-L50 PolarHBondContact O-N 3.36Å; Q47-A51 VanDerWaalsContact O-CB 3.28Å; Q47-A51 WeakPolarHBondContact O-CB 3.38Å; Q47-A51 PolarHBondContact O-N 2.72Å; Q47-F61 HydrophobicContact CB-CD2 4.06Å; Q47-F61 HydrophobicContact CB-CE2 4.2Å; Q47-F61 HydrophobicContact CB-CG 4.29Å; Q47-F61 HydrophobicContact CG-CD1 4.07Å; Q47-F61 HydrophobicContact CG-CD2 4.3Å; Q47-F61 HydrophobicContact CG-CE1 3.97Å; Q47-F61 HydrophobicContact CG-CE2 4.2Å; Q47-F61 HydrophobicContact CG-CG 4.26Å; Q47-F61 HydrophobicContact CG-CZ 4.05Å
48L89.8Confident91.6Very high125 Ų12547.4 Ų47.465%0.65427%0.27SS*.Hα-helixtrans-56.8-45.8178.4-178.966000112.4H46 A52H46-L48 PolarHBondContact O-N 3.31Å; L48-A52 WeakPolarHBondContact O-CB 3.32Å; L48-A52 PolarHBondContact O-N 3.16Å
49I92.2Very high91.4Very high20 Ų2054.2 Ų54.210%0.10330%0.302CS..Hα-helixtrans-70.8-45.3-178-59.3-57.1000110.3L22 H46 Q47 A51 A52 C53 L91 Y92L22-I49 HydrophobicContact CD1-CD1 3.69Å; L22-I49 HydrophobicContact CD2-CD1 4.09Å; L22-I49 HydrophobicContact CG-CD1 4.45Å; H46-I49 HydrophobicContact CB-CB 4.43Å; H46-I49 HydrophobicContact CB-CG1 4.05Å; H46-I49 PolarHBondContact O-N 3.4Å; H46-I49 VanDerWaalsContact O-N 3.11Å; Q47-I49 VanDerWaalsContact C-N 3.35Å; Q47-I49 PolarHBondContact O-N 2.75Å; I49-A51 PolarHBondContact O-N 3.13Å; I49-A52 PolarHBondContact O-N 2.82Å; I49-C53 PolarHBondContact O-N 3.44Å; I49-C53 VanDerWaalsContact O-N 3.12Å; I49-L91 HydrophobicContact CG2-CB 4.16Å; I49-Y92 HydrophobicContact CB-CE1 4.24Å; I49-Y92 HydrophobicContact CB-CE2 4.46Å; I49-Y92 HydrophobicContact CG1-CE1 3.81Å; I49-Y92 HydrophobicContact CG2-CD2 4.36Å; I49-Y92 HydrophobicContact CG2-CE1 4.14Å; I49-Y92 HydrophobicContact CG2-CE2 3.98Å
50L92.1Very high91.5Very high0 Ų051.9 Ų51.90%027%0.272CS..Hα-helixtrans-57.5-48.8176.3-65.2-179.9000111.2L36 H46 Q47 A52 C53 S54 F57 F61 L91L36-L50 HydrophobicContact CD1-CD1 4.17Å; L36-L50 HydrophobicContact CD1-CD2 4.49Å; L36-L50 HydrophobicContact CD2-CD1 4.09Å; L36-L50 HydrophobicContact CG-CD1 4.35Å; H46-L50 PolarHBondContact O-N 2.9Å; H46-L50 VanDerWaalsContact O-N 3.16Å; Q47-L50 PolarHBondContact O-N 3.36Å; L50-A52 PolarHBondContact O-N 2.91Å; L50-C53 PolarHBondContact O-N 3.49Å; L50-S54 VanDerWaalsContact O-CB 3.32Å; L50-S54 WeakPolarHBondContact O-CB 3.37Å; L50-S54 PolarHBondContact O-N 3.37Å; L50-F57 HydrophobicContact CB-CB 3.85Å; L50-F57 HydrophobicContact CB-CD2 4.04Å; L50-F57 HydrophobicContact CB-CG 3.89Å; L50-F57 HydrophobicContact CD1-CD1 4.45Å; L50-F57 HydrophobicContact CD2-CD2 4.27Å; L50-F57 HydrophobicContact CD2-CE2 4.29Å; L50-F61 HydrophobicContact CB-CE2 3.94Å; L50-F61 HydrophobicContact CD1-CE2 3.99Å; L50-F61 HydrophobicContact CD1-CZ 4.12Å; L50-L91 HydrophobicContact CD2-CD1 3.62Å
51A91.4Very high91.5Very high4 Ų444.7 Ų44.73%0.03323%0.234CC..Hα-helixtrans-71.3-27.7179.300000114.2Q47 I49 R58 F61 F62Q47-A51 VanDerWaalsContact O-CB 3.28Å; Q47-A51 WeakPolarHBondContact O-CB 3.38Å; Q47-A51 PolarHBondContact O-N 2.72Å; I49-A51 PolarHBondContact O-N 3.13Å; A51-R58 HydrophobicContact CB-CB 4.11Å; A51-R58 HydrophobicContact CB-CG 4.43Å; A51-R58 PolarHBondContact O-NE 2.78Å; A51-R58 PolarHBondContact O-NH2 3.17Å; A51-F61 HydrophobicContact CB-CD2 4.4Å; A51-F62 HydrophobicContact CB-CD2 4.22Å; A51-F62 HydrophobicContact CB-CE2 3.63Å
52A91.2Very high91.1Very high59 Ų5943.4 Ų43.449%0.48823%0.231SC..Hα-helixtrans-67.6-41.4175.300000111.1L48 I49 L50 R58L48-A52 WeakPolarHBondContact O-CB 3.32Å; L48-A52 PolarHBondContact O-N 3.16Å; I49-A52 PolarHBondContact O-N 2.82Å; L50-A52 PolarHBondContact O-N 2.91Å; A52-R58 PolarHBondContact O-NH2 3.17Å
53C91.7Very high89.9Confident51 Ų5141.6 Ų41.635%0.34522%0.218SC..Hα-helixtrans-98.4-12.4-171.6-60.70000114.9I49 L50 L91I49-C53 PolarHBondContact O-N 3.44Å; I49-C53 VanDerWaalsContact O-N 3.12Å; L50-C53 PolarHBondContact O-N 3.49Å; C53-L91 HydrophobicContact CB-CD2 3.48Å; C53-L91 VanDerWaalsContact CB-CD2 3.48Å; C53-L91 HydrophobicContact CB-CG 4.47Å
54S94.4Very high88.4Confident0 Ų048.3 Ų48.30%026%0.259CS..  trans-135.5120-178.7164.30000111.1L50 Y56 F57 R58 F113L50-S54 VanDerWaalsContact O-CB 3.32Å; L50-S54 WeakPolarHBondContact O-CB 3.37Å; L50-S54 PolarHBondContact O-N 3.37Å; S54-Y56 VanDerWaalsContact C-N 3.26Å; S54-Y56 PolarHBondContact O-N 2.86Å; S54-Y56 PolarHBondContact OG-N 2.93Å; S54-F57 PolarHBondContact O-N 2.89Å; S54-F57 WeakPolarHBondContact OG-CD2 3.5Å; S54-F57 PolarHBondContact OG-N 2.88Å; S54-F57 VanDerWaalsContact OG-N 3.13Å; S54-R58 PolarHBondContact O-N 2.95Å; S54-F113 WeakPolarHBondContact CB-O 3.3Å; S54-F113 PolarHBondContact OG-O 3.29Å
55P93.5Very high86.9Confident50 Ų5053 Ų5333%0.32528%0.282SS..Hα-helixtrans-60.6-34.3171.5-20.432.7000112.7R58 E59 Q114P55-R58 WeakPolarHBondContact O-CB 3.44Å; P55-R58 PolarHBondContact O-N 3.06Å; P55-E59 WeakPolarHBondContact O-CG 3.09Å; P55-E59 PolarHBondContact O-N 3Å; P55-Q114 WeakPolarHBondContact CD-O 3.42Å; P55-Q114 HydrophobicContact CG-CB 4.37Å
56Y92.6Very high85.4Confident69 Ų6955.6 Ų55.627%0.27131%0.309SS..Hα-helixtrans-58.1-51.6174.6170.5-89.7000111.7S54 R58 E59 L60 F113S54-Y56 VanDerWaalsContact C-N 3.26Å; S54-Y56 PolarHBondContact O-N 2.86Å; S54-Y56 PolarHBondContact OG-N 2.93Å; Y56-R58 VanDerWaalsContact C-N 3.27Å; Y56-R58 PolarHBondContact O-N 2.82Å; Y56-E59 PolarHBondContact O-N 2.8Å; Y56-L60 HydrophobicContact CE1-CD2 4.24Å; Y56-L60 WeakPolarHBondContact O-CB 2.83Å; Y56-L60 PolarHBondContact O-N 3.26Å; Y56-F113 HydrophobicContact CD1-CB 4.5Å; Y56-F113 AromaticContact CD1-CD1 3.54Å; Y56-F113 HydrophobicContact CD1-CD1 3.54Å; Y56-F113 HydrophobicContact CD1-CE1 4.28Å; Y56-F113 HydrophobicContact CD1-CG 4.46Å; Y56-F113 AromaticContact CE1-CD1 3.54Å; Y56-F113 HydrophobicContact CE1-CD1 3.54Å; Y56-F113 AromaticContact CE1-CE1 3.8Å; Y56-F113 HydrophobicContact CE1-CE1 3.8Å; Y56-F113 HydrophobicContact CG-CD1 4.14Å
57F91.6Very high84Confident0 Ų062.1 Ų62.10%034%0.337CS..Hα-helixtrans-68.2-30.4178.9-73.6-61.1000111.7L36 L50 S54 L60 F61 M84 F113L36-F57 HydrophobicContact CD1-CZ 4.39Å; L36-F57 HydrophobicContact CD2-CE1 4.15Å; L50-F57 HydrophobicContact CB-CB 3.85Å; L50-F57 HydrophobicContact CB-CD2 4.04Å; L50-F57 HydrophobicContact CB-CG 3.89Å; L50-F57 HydrophobicContact CD1-CD1 4.45Å; L50-F57 HydrophobicContact CD2-CD2 4.27Å; L50-F57 HydrophobicContact CD2-CE2 4.29Å; S54-F57 PolarHBondContact O-N 2.89Å; S54-F57 WeakPolarHBondContact OG-CD2 3.5Å; S54-F57 PolarHBondContact OG-N 2.88Å; S54-F57 VanDerWaalsContact OG-N 3.13Å; F57-L60 HydrophobicContact CD1-CD2 3.94Å; F57-L60 HydrophobicContact CE1-CD2 4.34Å; F57-L60 WeakPolarHBondContact O-CB 3.35Å; F57-L60 PolarHBondContact O-N 2.86Å; F57-F61 HydrophobicContact CB-CD2 4.19Å; F57-F61 HydrophobicContact CB-CE2 3.89Å; F57-F61 AromaticContact CD1-CE2 4Å; F57-F61 HydrophobicContact CD1-CE2 4Å; F57-F61 HydrophobicContact CD1-CZ 4.25Å; F57-F61 HydrophobicContact CG-CE2 4.29Å; F57-F61 WeakPolarHBondContact O-CD2 3.48Å; F57-F61 WeakPolarHBondContact O-CG 3.34Å; F57-F61 PolarHBondContact O-N 3.08Å; F57-M84 HydrophobicContact CE2-CE 4.36Å; F57-M84 HydrophobicContact CZ-CE 4.22Å; F57-F113 HydrophobicContact CE2-CB 4.09Å; F57-F113 HydrophobicContact CE2-CD1 4.31Å; F57-F113 HydrophobicContact CE2-CG 4.13Å; F57-F113 HydrophobicContact CZ-CD1 4.06Å; F57-F113 HydrophobicContact CZ-CE1 4.38Å; F57-F113 HydrophobicContact CZ-CG 4.22Å
58R89.9Confident82.9Confident132 Ų13268.4 Ų68.450%0.49837%0.367SS..Hα-helixtrans-61.6-49.1172.7-170.6177.6-63.7178.31.4111.8A51 A52 S54 P55 Y56 L60 F61 F62A51-R58 HydrophobicContact CB-CB 4.11Å; A51-R58 HydrophobicContact CB-CG 4.43Å; A51-R58 PolarHBondContact O-NE 2.78Å; A51-R58 PolarHBondContact O-NH2 3.17Å; A52-R58 PolarHBondContact O-NH2 3.17Å; S54-R58 PolarHBondContact O-N 2.95Å; P55-R58 WeakPolarHBondContact O-CB 3.44Å; P55-R58 PolarHBondContact O-N 3.06Å; Y56-R58 VanDerWaalsContact C-N 3.27Å; Y56-R58 PolarHBondContact O-N 2.82Å; R58-L60 PolarHBondContact O-N 2.99Å; R58-F61 PolarHBondContact O-N 3Å; R58-F62 HydrophobicContact CG-CD2 4.09Å; R58-F62 WeakPolarHBondContact O-CB 3.48Å; R58-F62 WeakPolarHBondContact O-CD2 3.5Å; R58-F62 PolarHBondContact O-N 3.17Å
59E88.6Confident81.9Confident143 Ų14366.1 Ų66.167%0.66835%0.353SS*.Hα-helixtrans-66-28.5175.8-69.7178.1179.600112.4P55 Y56P55-E59 WeakPolarHBondContact O-CG 3.09Å; P55-E59 PolarHBondContact O-N 3Å; Y56-E59 PolarHBondContact O-N 2.8Å
60L87.5Confident80.7Confident26 Ų2671.2 Ų71.214%0.13638%0.38CS..Hα-helixtrans-70.9-40.2177.9-171.370.8000113Y56 F57 R58 V74Y56-L60 HydrophobicContact CE1-CD2 4.24Å; Y56-L60 WeakPolarHBondContact O-CB 2.83Å; Y56-L60 PolarHBondContact O-N 3.26Å; F57-L60 HydrophobicContact CD1-CD2 3.94Å; F57-L60 HydrophobicContact CE1-CD2 4.34Å; F57-L60 WeakPolarHBondContact O-CB 3.35Å; F57-L60 PolarHBondContact O-N 2.86Å; R58-L60 PolarHBondContact O-N 2.99Å; L60-V74 HydrophobicContact CD2-CG1 3.74Å; L60-V74 HydrophobicContact CD2-CG2 4.01Å
61F87.1Confident79.8Confident0 Ų076 Ų760%040%0.398CS..Hα-helixtrans-93.6-25-175.9-61.7-51.4000113.3C34 Q47 L50 A51 F57 R58 E69 R71 V74C34-F61 HydrophobicContact CB-CZ 4.48Å; Q47-F61 HydrophobicContact CB-CD2 4.06Å; Q47-F61 HydrophobicContact CB-CE2 4.2Å; Q47-F61 HydrophobicContact CB-CG 4.29Å; Q47-F61 HydrophobicContact CG-CD1 4.07Å; Q47-F61 HydrophobicContact CG-CD2 4.3Å; Q47-F61 HydrophobicContact CG-CE1 3.97Å; Q47-F61 HydrophobicContact CG-CE2 4.2Å; Q47-F61 HydrophobicContact CG-CG 4.26Å; Q47-F61 HydrophobicContact CG-CZ 4.05Å; L50-F61 HydrophobicContact CB-CE2 3.94Å; L50-F61 HydrophobicContact CD1-CE2 3.99Å; L50-F61 HydrophobicContact CD1-CZ 4.12Å; A51-F61 HydrophobicContact CB-CD2 4.4Å; F57-F61 HydrophobicContact CB-CD2 4.19Å; F57-F61 HydrophobicContact CB-CE2 3.89Å; F57-F61 AromaticContact CD1-CE2 4Å; F57-F61 HydrophobicContact CD1-CE2 4Å; F57-F61 HydrophobicContact CD1-CZ 4.25Å; F57-F61 HydrophobicContact CG-CE2 4.29Å; F57-F61 WeakPolarHBondContact O-CD2 3.48Å; F57-F61 WeakPolarHBondContact O-CG 3.34Å; F57-F61 PolarHBondContact O-N 3.08Å; R58-F61 PolarHBondContact O-N 3Å; F61-E69 PolarHBondContact O-N 3.01Å; F61-R71 HydrophobicContact CD1-CB 4.36Å; F61-R71 HydrophobicContact CE1-CB 4.38Å; F61-V74 HydrophobicContact CE1-CG2 3.83Å; F61-V74 HydrophobicContact CZ-CG2 4.17Å
62F81.8Confident79.2Confident65 Ų6582.1 Ų82.129%0.28542%0.424SS..BIsolated β-bridgetrans-119119.4-178.7-57.1-80.4000110.4A51 R58 E68A51-F62 HydrophobicContact CB-CD2 4.22Å; A51-F62 HydrophobicContact CB-CE2 3.63Å; R58-F62 HydrophobicContact CG-CD2 4.09Å; R58-F62 WeakPolarHBondContact O-CB 3.48Å; R58-F62 WeakPolarHBondContact O-CD2 3.5Å; R58-F62 PolarHBondContact O-N 3.17Å; F62-E68 HydrophobicContact CD1-CG 4.02Å; F62-E68 HydrophobicContact CE1-CG 3.63Å
63S69.5Low79Confident36 Ų3684.8 Ų84.825%0.25243%0.426SS..  trans-63.5163.2171.859.70000112D65 G66 K67S63-D65 PolarHBondContact O-N 3.47Å; S63-D65 VanDerWaalsContact O-N 3.07Å; S63-G66 WeakPolarHBondContact O-CA 3.24Å; S63-G66 PolarHBondContact O-N 3.24Å; S63-K67 PolarHBondContact N-O 2.9Å; S63-K67 VanDerWaalsContact N-O 3.07Å; S63-K67 WeakPolarHBondContact OG-CB 3.17Å; S63-K67 PolarHBondContact OG-N 3.01Å; S63-K67 VanDerWaalsContact OG-N 3.08Å; S63-K67 PolarHBondContact OG-O 2.87Å
64V61.2Low78.9Confident156 Ų15682.9 Ų82.995%0.94541%0.413SS*.THydrogen-bonded Turntrans-56.3-26.7178.6-177.60000112.6G66V64-G66 VanDerWaalsContact C-N 3.34Å
65D61.5Low78.6Confident139 Ų13987.6 Ų87.674%0.74344%0.441SS*.THydrogen-bonded Turntrans-88.86.3176.4-62.7-32.7000113.7S63 K67S63-D65 PolarHBondContact O-N 3.47Å; S63-D65 VanDerWaalsContact O-N 3.07Å; D65-K67 VanDerWaalsContact C-N 3.33Å; D65-K67 PolarHBondContact O-N 3.13Å
66G62.2Low78.5Confident55 Ų5585.4 Ų85.457%0.56743%0.427SS*.  trans75.812.5178.100000115.3S63 V64S63-G66 WeakPolarHBondContact O-CA 3.24Å; S63-G66 PolarHBondContact O-N 3.24Å; V64-G66 VanDerWaalsContact C-N 3.34Å
67K63.1Low78.3Confident151 Ų15188.5 Ų88.566%0.65744%0.444SS*.PPolyproline II helixtrans-81.7130.5174.1-64.2179.5-178.1170.60110.2S63 D65S63-K67 PolarHBondContact N-O 2.9Å; S63-K67 VanDerWaalsContact N-O 3.07Å; S63-K67 WeakPolarHBondContact OG-CB 3.17Å; S63-K67 PolarHBondContact OG-N 3.01Å; S63-K67 VanDerWaalsContact OG-N 3.08Å; S63-K67 PolarHBondContact OG-O 2.87Å; D65-K67 VanDerWaalsContact C-N 3.33Å; D65-K67 PolarHBondContact O-N 3.13Å
68E67.8Low78Confident156 Ų15696 Ų9673%0.72948%0.484SS*.BIsolated β-bridgetrans-62.4129.7170.8-74.2176.6-179.700110.5F62F62-E68 HydrophobicContact CD1-CG 4.02Å; F62-E68 HydrophobicContact CE1-CG 3.63Å
69E68.4Low77.9Confident77 Ų7790.9 Ų90.936%0.3647%0.466SS..PPolyproline II helixtrans-96.6123168.9-65.5-167.7174.900109.6F61 R71F61-E69 PolarHBondContact O-N 3.01Å; E69-R71 VanDerWaalsContact C-N 3.25Å; E69-R71 HydrophobicContact CB-CG 4.17Å; E69-R71 PolarHBondContact O-N 2.79Å; E69-R71 IonicContact OE2-CZ 2.71Å; E69-R71 IonicContact OE2-NE 3.41Å; E69-R71 PolarHBondContact OE2-NE 2.8Å; E69-R71 IonicContact OE2-NH2 2.74Å; E69-R71 PolarHBondContact OE2-NH2 3.48Å
70D66.9Low78Confident127 Ų12787.6 Ų87.668%0.67945%0.453SS*.  trans-71.279.1179.1-170.815.5000110.8K72D70-K72 WeakPolarHBondContact OD1-CE 3.43Å; D70-K72 WeakPolarHBondContact OD1-CG 3.36Å
71R74.3Confident78.2Confident100 Ų10087.3 Ų87.338%0.37745%0.453SS..  trans-106.678.9178.8-65.6-170.9-175.8-151.87.6110.8F61 E69 E73F61-R71 HydrophobicContact CD1-CB 4.36Å; F61-R71 HydrophobicContact CE1-CB 4.38Å; E69-R71 VanDerWaalsContact C-N 3.25Å; E69-R71 HydrophobicContact CB-CG 4.17Å; E69-R71 PolarHBondContact O-N 2.79Å; E69-R71 IonicContact OE2-CZ 2.71Å; E69-R71 IonicContact OE2-NE 3.41Å; E69-R71 PolarHBondContact OE2-NE 2.8Å; E69-R71 IonicContact OE2-NH2 2.74Å; E69-R71 PolarHBondContact OE2-NH2 3.48Å; R71-E73 VanDerWaalsContact C-N 3.26Å; R71-E73 PolarHBondContact O-N 3.09Å
72K78.4Confident78.4Confident133 Ų13391 Ų9158%0.57847%0.473SS*.SBendtrans-66.8-24.9178.6-63.1-174.8-177.3175.50114C34 V35 D70C34-K72 CarbonylContact C-O 3.53Å; V35-K72 PolarHBondContact N-O 2.87Å; D70-K72 WeakPolarHBondContact OD1-CE 3.43Å; D70-K72 WeakPolarHBondContact OD1-CG 3.36Å
73E87.1Confident78.9Confident115 Ų11588.5 Ų88.554%0.53746%0.463SS..EExtended strand (participates in β ladder)trans-131.5128.1178.4-62.5-170.715400110.6V35 K37 R71V35-E73 WeakPolarHBondContact O-CA 3.4Å; K37-E73 VanDerWaalsContact CE-CD 3.45Å; K37-E73 VanDerWaalsContact CE-OE1 3.3Å; K37-E73 WeakPolarHBondContact CE-OE1 3.45Å; K37-E73 WeakPolarHBondContact CE-OE2 3.33Å; K37-E73 IonicContact NZ-OE1 3.29Å; K37-E73 PolarHBondContact NZ-OE1 3.2Å; K37-E73 IonicContact NZ-OE2 3.72Å; K37-E73 PolarHBondContact NZ-OE2 3.09Å; R71-E73 VanDerWaalsContact C-N 3.26Å; R71-E73 PolarHBondContact O-N 3.09Å
74V88.9Confident80.1Confident11 Ų1186.8 Ų86.87%0.06745%0.451CS..EExtended strand (participates in β ladder)trans-120.2115.9177.6178.40000108.8V35 L36 K37 L60 F61 L76V35-V74 PolarHBondContact O-N 3.22Å; L36-V74 CarbonylContact C-O 3.53Å; L36-V74 WeakPolarHBondContact CA-O 3.3Å; L36-V74 HydrophobicContact CD2-CB 3.83Å; L36-V74 HydrophobicContact CD2-CG1 4.23Å; L36-V74 HydrophobicContact CD2-CG2 4.39Å; K37-V74 PolarHBondContact N-O 3.03Å; L60-V74 HydrophobicContact CD2-CG1 3.74Å; L60-V74 HydrophobicContact CD2-CG2 4.01Å; F61-V74 HydrophobicContact CE1-CG2 3.83Å; F61-V74 HydrophobicContact CZ-CG2 4.17Å; V74-L76 HydrophobicContact CG1-CD2 3.89Å; V74-L76 HydrophobicContact CG1-CG 4.39Å
75V89.8Confident81.5Confident98 Ų9883 Ų8359%0.59442%0.423SS*.EExtended strand (participates in β ladder)trans-89122.6178.4-175.40000109.7K37 E77K37-V75 HydrophobicContact CB-CG2 4.22Å; K37-V75 HydrophobicContact CD-CG2 4.4Å; V75-E77 HydrophobicContact CG1-CG 4.33Å
76L90.6Very high83.1Confident4 Ų478.9 Ų78.92%0.02140%0.403CS..EExtended strand (participates in β ladder)trans-111.1103.7178.4-57.8178.3000109.3L36 K37 V38 V74 L79 M84 F113L36-L76 HydrophobicContact CB-CD1 4.36Å; L36-L76 HydrophobicContact CD1-CD1 4.36Å; L36-L76 HydrophobicContact CD2-CD1 4.48Å; K37-L76 PolarHBondContact O-N 3.29Å; V38-L76 HydrophobicContact CG2-CB 4.2Å; V38-L76 HydrophobicContact CG2-CD1 4.13Å; V74-L76 HydrophobicContact CG1-CD2 3.89Å; V74-L76 HydrophobicContact CG1-CG 4.39Å; L76-L79 HydrophobicContact CB-CD2 4.09Å; L76-L79 HydrophobicContact CD1-CD2 4.08Å; L76-M84 HydrophobicContact CD1-CG 4.34Å; L76-M84 HydrophobicContact CD1-SD 4.01Å; L76-F113 HydrophobicContact CD1-CE1 4.37Å; L76-F113 HydrophobicContact CD1-CE2 4.32Å; L76-F113 HydrophobicContact CD1-CZ 3.77Å; L76-F113 HydrophobicContact CD2-CE1 3.83Å; L76-F113 HydrophobicContact CD2-CZ 3.87Å; L76-F113 HydrophobicContact CG-CZ 4.28Å
77E87.9Confident84.6Confident135 Ų13576.3 Ų76.363%0.63138%0.376SS*.  trans-83.2153.1-179.8-61.1-177.7175.800112.4V75 R112V75-E77 HydrophobicContact CG1-CG 4.33Å; E77-R112 PolarHBondContact O-NH1 3.49Å; E77-R112 PolarHBondContact O-NH2 3.3Å
78N84.8Confident86.1Confident156 Ų15669.2 Ų69.283%0.83435%0.345SS*.SBendtrans55.953175.1-55.2-47.7000113.2
79L88.9Confident87.2Confident25 Ų2565 Ų6513%0.13133%0.327CS..  trans-142.4137.8-176.417764.4000109.6V38 L76 P81 M84 V109 F113V38-L79 HydrophobicContact CG1-CB 3.79Å; V38-L79 HydrophobicContact CG1-CD2 3.85Å; V38-L79 HydrophobicContact CG1-CG 3.76Å; V38-L79 WeakPolarHBondContact CG1-O 3.48Å; V38-L79 HydrophobicContact CG2-CD2 4.27Å; L76-L79 HydrophobicContact CB-CD2 4.09Å; L76-L79 HydrophobicContact CD1-CD2 4.08Å; L79-P81 WeakPolarHBondContact O-CD 3.38Å; L79-M84 HydrophobicContact CD2-CB 3.79Å; L79-M84 HydrophobicContact CD2-CG 3.95Å; L79-M84 HydrophobicContact CD2-SD 3.74Å; L79-M84 HydrophobicContact CG-CB 4.31Å; L79-V109 HydrophobicContact CD1-CB 4.31Å; L79-V109 HydrophobicContact CD1-CG1 4.15Å; L79-V109 HydrophobicContact CD1-CG2 3.18Å; L79-F113 HydrophobicContact CD2-CE2 3.78Å; L79-F113 HydrophobicContact CD2-CZ 3.98Å
80D89.9Confident88.5Confident74 Ų7463 Ų6340%0.39632%0.317SS..  trans-70.7121.9172-172.8-35.1000109.5N82 V83 M84D80-N82 PolarHBondContact O-N 3.11Å; D80-N82 WeakPolarHBondContact OD1-CB 3.4Å; D80-N82 PolarHBondContact OD1-N 3.32Å; D80-N82 PolarHBondContact OD1-ND2 3.11Å; D80-V83 HydrophobicContact CB-CB 4.25Å; D80-V83 HydrophobicContact CB-CG2 3.84Å; D80-V83 PolarHBondContact O-N 3.44Å; D80-M84 PolarHBondContact O-N 3.07Å
81P91.2Very high89.8Confident21 Ų2157.9 Ų57.914%0.13629%0.29CS..Hα-helixtrans-56.7-35.3178.7-23.933.4000114V38 R41 L79 M84 E85V38-P81 HydrophobicContact CB-CB 4.42Å; V38-P81 HydrophobicContact CB-CG 4.5Å; V38-P81 HydrophobicContact CG1-CB 4.3Å; V38-P81 HydrophobicContact CG1-CG 4.13Å; V38-P81 WeakPolarHBondContact O-CG 3.48Å; R41-P81 HydrophobicContact CB-CB 3.95Å; R41-P81 HydrophobicContact CG-CB 3.7Å; R41-P81 HydrophobicContact CG-CG 4.22Å; L79-P81 WeakPolarHBondContact O-CD 3.38Å; P81-M84 PolarHBondContact O-N 3.29Å; P81-E85 WeakPolarHBondContact O-CB 3.39Å; P81-E85 PolarHBondContact O-N 3.15Å
82N91.9Very high90.7Very high77 Ų7753.3 Ų53.341%0.41227%0.272SS..Hα-helixtrans-67.4-39.4-179.5-55.7-66.5000111.3R41 D80 E85 V86R41-N82 VanDerWaalsContact CZ-OD1 3.22Å; R41-N82 PolarHBondContact NH1-OD1 3.07Å; R41-N82 PolarHBondContact NH2-OD1 3.1Å; D80-N82 PolarHBondContact O-N 3.11Å; D80-N82 WeakPolarHBondContact OD1-CB 3.4Å; D80-N82 PolarHBondContact OD1-N 3.32Å; D80-N82 PolarHBondContact OD1-ND2 3.11Å; N82-E85 PolarHBondContact O-N 3.35Å; N82-V86 WeakPolarHBondContact O-CG2 3.33Å; N82-V86 PolarHBondContact O-N 3.33Å
83V93.2Very high91.2Very high12 Ų1247.5 Ų47.57%0.07325%0.248CC..Hα-helixtrans-68.3-41.2179.9179.90000110.2D80 E85 V86 I87 D105 I106 V109D80-V83 HydrophobicContact CB-CB 4.25Å; D80-V83 HydrophobicContact CB-CG2 3.84Å; D80-V83 PolarHBondContact O-N 3.44Å; V83-E85 VanDerWaalsContact C-N 3.31Å; V83-E85 PolarHBondContact O-N 3.36Å; V83-V86 PolarHBondContact O-N 2.87Å; V83-I87 WeakPolarHBondContact O-CG1 3.28Å; V83-I87 PolarHBondContact O-N 3.11Å; V83-D105 HydrophobicContact CG1-CB 4.32Å; V83-D105 HydrophobicContact CG2-CB 3.78Å; V83-I106 HydrophobicContact CG1-CG1 4Å; V83-V109 HydrophobicContact CG1-CB 4.08Å; V83-V109 HydrophobicContact CG1-CG1 4.47Å; V83-V109 HydrophobicContact CG1-CG2 3.67Å
84M93.6Very high91.4Very high0 Ų044.8 Ų44.80%025%0.246CC..Hα-helixtrans-63.6-39.7175.1-166.864.7-140.400111.7L36 V38 I43 F57 L76 L79 D80 P81 I87 V88 V109 F113L36-M84 HydrophobicContact CD1-CE 3.77Å; V38-M84 HydrophobicContact CG2-CB 4.06Å; V38-M84 HydrophobicContact CG2-CG 3.91Å; I43-M84 HydrophobicContact CD1-CB 4.01Å; I43-M84 HydrophobicContact CD1-CG 3.97Å; F57-M84 HydrophobicContact CE2-CE 4.36Å; F57-M84 HydrophobicContact CZ-CE 4.22Å; L76-M84 HydrophobicContact CD1-CG 4.34Å; L76-M84 HydrophobicContact CD1-SD 4.01Å; L79-M84 HydrophobicContact CD2-CB 3.79Å; L79-M84 HydrophobicContact CD2-CG 3.95Å; L79-M84 HydrophobicContact CD2-SD 3.74Å; L79-M84 HydrophobicContact CG-CB 4.31Å; D80-M84 PolarHBondContact O-N 3.07Å; P81-M84 PolarHBondContact O-N 3.29Å; M84-I87 HydrophobicContact CE-CB 4.4Å; M84-I87 HydrophobicContact CE-CG2 3.94Å; M84-I87 WeakPolarHBondContact O-CB 3.41Å; M84-I87 PolarHBondContact O-N 2.92Å; M84-V88 HydrophobicContact CE-CG2 3.65Å; M84-V88 HydrophobicContact CG-CG2 4.48Å; M84-V88 WeakPolarHBondContact O-CG2 3.47Å; M84-V88 PolarHBondContact O-N 3.12Å; M84-V109 HydrophobicContact SD-CG1 4.31Å; M84-F113 HydrophobicContact CE-CD2 4.5Å; M84-F113 HydrophobicContact SD-CD2 4.01Å; M84-F113 HydrophobicContact SD-CE2 3.58Å; M84-F113 VanDerWaalsContact SD-CE2 3.58Å; M84-F113 HydrophobicContact SD-CZ 4.42Å
85E92.1Very high91.4Very high78 Ų7851.1 Ų51.136%0.36428%0.275SS..Hα-helixtrans-62.9-42.5176.7-171.8171.2-178.900111.8R41 I43 P81 N82 V83 I87 V88 N89R41-E85 IonicContact NH1-OE2 2.77Å; R41-E85 PolarHBondContact NH1-OE2 2.93Å; I43-E85 HydrophobicContact CD1-CB 4.26Å; P81-E85 WeakPolarHBondContact O-CB 3.39Å; P81-E85 PolarHBondContact O-N 3.15Å; N82-E85 PolarHBondContact O-N 3.35Å; V83-E85 VanDerWaalsContact C-N 3.31Å; V83-E85 PolarHBondContact O-N 3.36Å; E85-I87 VanDerWaalsContact C-N 3.32Å; E85-I87 PolarHBondContact O-N 3.47Å; E85-V88 PolarHBondContact O-N 3.42Å; E85-N89 VanDerWaalsContact O-CB 3.32Å; E85-N89 WeakPolarHBondContact O-CB 3.27Å; E85-N89 VanDerWaalsContact O-CG 3.24Å; E85-N89 PolarHBondContact O-N 3.39Å; E85-N89 PolarHBondContact O-ND2 2.97Å
86V93.6Very high91.6Very high52 Ų5248.2 Ų48.232%0.31526%0.255SS..Hα-helixtrans-59-43.7172.1170.30000111.3N82 V83 N89 Y90 I96 I106N82-V86 WeakPolarHBondContact O-CG2 3.33Å; N82-V86 PolarHBondContact O-N 3.33Å; V83-V86 PolarHBondContact O-N 2.87Å; V86-N89 PolarHBondContact O-N 2.86Å; V86-Y90 WeakPolarHBondContact O-CB 3.28Å; V86-Y90 PolarHBondContact O-N 3.15Å; V86-I96 HydrophobicContact CG1-CD1 4Å; V86-I96 HydrophobicContact CG1-CG1 3.83Å; V86-I106 HydrophobicContact CG1-CD1 4.35Å
87I94.8Very high91.7Very high0 Ų054.7 Ų54.70%029%0.29CS..Hα-helixtrans-64-48.2177.5-70.8-68.7000111.3V83 M84 E85 N89 Y90 L91 I96 I106 V109 I115 V118V83-I87 WeakPolarHBondContact O-CG1 3.28Å; V83-I87 PolarHBondContact O-N 3.11Å; M84-I87 HydrophobicContact CE-CB 4.4Å; M84-I87 HydrophobicContact CE-CG2 3.94Å; M84-I87 WeakPolarHBondContact O-CB 3.41Å; M84-I87 PolarHBondContact O-N 2.92Å; E85-I87 VanDerWaalsContact C-N 3.32Å; E85-I87 PolarHBondContact O-N 3.47Å; I87-N89 PolarHBondContact O-N 3.21Å; I87-Y90 WeakPolarHBondContact O-CB 3.45Å; I87-Y90 PolarHBondContact O-N 2.9Å; I87-L91 WeakPolarHBondContact O-CG 3.36Å; I87-L91 PolarHBondContact O-N 3.22Å; I87-I96 HydrophobicContact CD1-CD1 4.38Å; I87-I106 HydrophobicContact CD1-CG2 4.09Å; I87-V109 HydrophobicContact CG1-CG1 3.85Å; I87-I115 HydrophobicContact CD1-CD1 4.45Å; I87-I115 HydrophobicContact CG2-CD1 3.26Å; I87-V118 HydrophobicContact CD1-CG1 3.96Å; I87-V118 HydrophobicContact CD1-CG2 4.33Å
88V93.5Very high92Very high2 Ų249.7 Ų49.71%0.01227%0.267CS..Hα-helixtrans-59.4-49.9177.6172.90000109.3L26 L36 I43 M84 E85 Y90 L91 Y92L26-V88 HydrophobicContact CD2-CG1 4.39Å; L36-V88 HydrophobicContact CD1-CG2 4.02Å; I43-V88 HydrophobicContact CG2-CB 4.32Å; I43-V88 HydrophobicContact CG2-CG1 4.16Å; I43-V88 HydrophobicContact CG2-CG2 4.09Å; M84-V88 HydrophobicContact CE-CG2 3.65Å; M84-V88 HydrophobicContact CG-CG2 4.48Å; M84-V88 WeakPolarHBondContact O-CG2 3.47Å; M84-V88 PolarHBondContact O-N 3.12Å; E85-V88 PolarHBondContact O-N 3.42Å; V88-Y90 VanDerWaalsContact C-N 3.27Å; V88-Y90 PolarHBondContact O-N 3.41Å; V88-L91 WeakPolarHBondContact O-CB 3.41Å; V88-L91 PolarHBondContact O-N 2.67Å; V88-Y92 HydrophobicContact CG1-CD2 4.19Å; V88-Y92 HydrophobicContact CG1-CE2 3.95Å; V88-Y92 VanDerWaalsContact O-CD2 3.27Å; V88-Y92 WeakPolarHBondContact O-CD2 3.26Å; V88-Y92 PolarHBondContact O-N 3.43Å
89N92.4Very high92.4Very high67 Ų6745.2 Ų45.236%0.35824%0.243SC..Hα-helixtrans-54.7-44.4177.4-74.6-29.1000111.9E85 V86 I87 L91 Y92 S93E85-N89 VanDerWaalsContact O-CB 3.32Å; E85-N89 WeakPolarHBondContact O-CB 3.27Å; E85-N89 VanDerWaalsContact O-CG 3.24Å; E85-N89 PolarHBondContact O-N 3.39Å; E85-N89 PolarHBondContact O-ND2 2.97Å; V86-N89 PolarHBondContact O-N 2.86Å; I87-N89 PolarHBondContact O-N 3.21Å; N89-L91 VanDerWaalsContact C-N 3.31Å; N89-L91 PolarHBondContact O-N 3.31Å; N89-Y92 CarbonylContact O-C 3.56Å; N89-Y92 PolarHBondContact O-N 3.38Å; N89-Y92 VanDerWaalsContact O-N 3.07Å; N89-S93 WeakPolarHBondContact O-CB 3.17Å; N89-S93 PolarHBondContact O-N 2.85Å; N89-S93 PolarHBondContact O-OG 3.36Å
90Y94.8Very high92.4Very high36 Ų3649.2 Ų49.214%0.14127%0.265CS..Hα-helixtrans-57.7-39.7174.4167.7-96.2000113.1V86 I87 V88 Y92 S93 A94 I96 I115 S117 V118V86-Y90 WeakPolarHBondContact O-CB 3.28Å; V86-Y90 PolarHBondContact O-N 3.15Å; I87-Y90 WeakPolarHBondContact O-CB 3.45Å; I87-Y90 PolarHBondContact O-N 2.9Å; V88-Y90 VanDerWaalsContact C-N 3.27Å; V88-Y90 PolarHBondContact O-N 3.41Å; Y90-Y92 PolarHBondContact O-N 2.83Å; Y90-S93 PolarHBondContact O-N 3.47Å; Y90-A94 WeakPolarHBondContact O-CA 3.38Å; Y90-A94 PolarHBondContact O-N 3.41Å; Y90-I96 HydrophobicContact CD2-CB 3.69Å; Y90-I96 HydrophobicContact CD2-CG2 3.82Å; Y90-I96 HydrophobicContact CE2-CB 4.46Å; Y90-I96 HydrophobicContact CE2-CG2 4.1Å; Y90-I96 HydrophobicContact CG-CB 4.2Å; Y90-I115 HydrophobicContact CE1-CG2 4.36Å; Y90-S117 WeakPolarHBondContact OH-CB 3.48Å; Y90-S117 PolarHBondContact OH-OG 3.18Å; Y90-V118 HydrophobicContact CD1-CG2 3.33Å; Y90-V118 HydrophobicContact CD2-CG2 4.45Å; Y90-V118 HydrophobicContact CE1-CG2 3.2Å; Y90-V118 HydrophobicContact CE2-CG2 4.33Å; Y90-V118 HydrophobicContact CG-CG2 3.98Å
91L93.6Very high92.5Very high20 Ų2052.7 Ų52.711%0.10528%0.283CS..Hα-helixtrans-62.4-24.8178.1-63.6-176.5000112.9I49 L50 C53 I87 V88 N89 I115I49-L91 HydrophobicContact CG2-CB 4.16Å; L50-L91 HydrophobicContact CD2-CD1 3.62Å; C53-L91 HydrophobicContact CB-CD2 3.48Å; C53-L91 VanDerWaalsContact CB-CD2 3.48Å; C53-L91 HydrophobicContact CB-CG 4.47Å; I87-L91 WeakPolarHBondContact O-CG 3.36Å; I87-L91 PolarHBondContact O-N 3.22Å; V88-L91 WeakPolarHBondContact O-CB 3.41Å; V88-L91 PolarHBondContact O-N 2.67Å; N89-L91 VanDerWaalsContact C-N 3.31Å; N89-L91 PolarHBondContact O-N 3.31Å; L91-I115 HydrophobicContact CD2-CD1 4.44Å; L91-I115 HydrophobicContact CD2-CG2 4.27Å
92Y93Very high92.6Very high4 Ų453.4 Ų53.42%0.01629%0.286CS..Hα-helixtrans-99.7-24.9176.1-69.1-95.9000113.5Q19 L22 L26 H46 I49 V88 N89 Y90Q19-Y92 WeakPolarHBondContact CG-O 3.38Å; L22-Y92 HydrophobicContact CB-CD1 4.07Å; L22-Y92 HydrophobicContact CB-CE1 4.5Å; L22-Y92 WeakPolarHBondContact O-CD1 3.2Å; L26-Y92 HydrophobicContact CB-CD1 4.18Å; L26-Y92 HydrophobicContact CB-CE1 4.12Å; L26-Y92 HydrophobicContact CD1-CE2 4.24Å; L26-Y92 HydrophobicContact CD2-CD1 4.21Å; L26-Y92 HydrophobicContact CD2-CD2 3.6Å; L26-Y92 HydrophobicContact CD2-CE1 4.37Å; L26-Y92 HydrophobicContact CD2-CE2 3.79Å; L26-Y92 HydrophobicContact CD2-CG 3.83Å; H46-Y92 VanDerWaalsContact CB-OH 3.26Å; H46-Y92 WeakPolarHBondContact CB-OH 3.47Å; H46-Y92 PolarHBondContact N-OH 3.34Å; H46-Y92 AromaticContact ND1-CE1 3.6Å; H46-Y92 AromaticContact ND1-CZ 3.58Å; H46-Y92 PolarHBondContact ND1-OH 2.73Å; I49-Y92 HydrophobicContact CB-CE1 4.24Å; I49-Y92 HydrophobicContact CB-CE2 4.46Å; I49-Y92 HydrophobicContact CG1-CE1 3.81Å; I49-Y92 HydrophobicContact CG2-CD2 4.36Å; I49-Y92 HydrophobicContact CG2-CE1 4.14Å; I49-Y92 HydrophobicContact CG2-CE2 3.98Å; V88-Y92 HydrophobicContact CG1-CD2 4.19Å; V88-Y92 HydrophobicContact CG1-CE2 3.95Å; V88-Y92 VanDerWaalsContact O-CD2 3.27Å; V88-Y92 WeakPolarHBondContact O-CD2 3.26Å; V88-Y92 PolarHBondContact O-N 3.43Å; N89-Y92 CarbonylContact O-C 3.56Å; N89-Y92 PolarHBondContact O-N 3.38Å; N89-Y92 VanDerWaalsContact O-N 3.07Å; Y90-Y92 PolarHBondContact O-N 2.83Å
93S90.8Very high92.7Very high10 Ų1049.9 Ų49.97%0.0727%0.267CS..Hα-helixtrans-109-12.9-173.5710000114.8Q19 N89 Y90 E95Q19-S93 PolarHBondContact NE2-O 3.5Å; N89-S93 WeakPolarHBondContact O-CB 3.17Å; N89-S93 PolarHBondContact O-N 2.85Å; N89-S93 PolarHBondContact O-OG 3.36Å; Y90-S93 PolarHBondContact O-N 3.47Å; S93-E95 WeakPolarHBondContact O-CG 3.48Å; S93-E95 PolarHBondContact O-N 2.82Å; S93-E95 PolarHBondContact OG-N 2.8Å; S93-E95 VanDerWaalsContact OG-N 3.17Å; S93-E95 PolarHBondContact OG-O 3.29Å
94A89.8Confident92.7Very high59 Ų5953.5 Ų53.549%0.48828%0.283SS..SBendtrans51.214.2-169.400000114.8Y90Y90-A94 WeakPolarHBondContact O-CA 3.38Å; Y90-A94 PolarHBondContact O-N 3.41Å
95E90.3Very high92.7Very high143 Ų14357.4 Ų57.467%0.66831%0.305SS*.  trans-116.8130.3-177.5-73.2173.7171.300109S93S93-E95 WeakPolarHBondContact O-CG 3.48Å; S93-E95 PolarHBondContact O-N 2.82Å; S93-E95 PolarHBondContact OG-N 2.8Å; S93-E95 VanDerWaalsContact OG-N 3.17Å; S93-E95 PolarHBondContact OG-O 3.29Å
96I93.6Very high92.9Very high37 Ų3753.8 Ų53.819%0.1929%0.288CS..  trans-145.3126.9178.6-169.4168.5000110.6V86 I87 Y90 I98 I106 V118V86-I96 HydrophobicContact CG1-CD1 4Å; V86-I96 HydrophobicContact CG1-CG1 3.83Å; I87-I96 HydrophobicContact CD1-CD1 4.38Å; Y90-I96 HydrophobicContact CD2-CB 3.69Å; Y90-I96 HydrophobicContact CD2-CG2 3.82Å; Y90-I96 HydrophobicContact CE2-CB 4.46Å; Y90-I96 HydrophobicContact CE2-CG2 4.1Å; Y90-I96 HydrophobicContact CG-CB 4.2Å; I96-I98 HydrophobicContact CD1-CG1 4.5Å; I96-I98 HydrophobicContact CG1-CG1 4.19Å; I96-I98 HydrophobicContact CG2-CD1 4.1Å; I96-I98 HydrophobicContact CG2-CG1 4.34Å; I96-I106 HydrophobicContact CD1-CD1 4.35Å; I96-I106 HydrophobicContact CD1-CG2 3.81Å; I96-V118 HydrophobicContact CD1-CG1 3.86Å; I96-V118 HydrophobicContact CD1-CG2 4.28Å
97D92.6Very high93Very high140 Ų14051.3 Ų51.375%0.74927%0.273SS*.  trans-90.8108.1177.9-68.2-36.3000110.3N102D97-N102 PolarHBondContact O-ND2 3.38Å
98I93.3Very high92.9Very high30 Ų3054 Ų5415%0.15429%0.289CS..  trans-107130179.9-63.4170.1000109.7I96 V103 I106 V121 Y125I96-I98 HydrophobicContact CD1-CG1 4.5Å; I96-I98 HydrophobicContact CG1-CG1 4.19Å; I96-I98 HydrophobicContact CG2-CD1 4.1Å; I96-I98 HydrophobicContact CG2-CG1 4.34Å; I98-V103 HydrophobicContact CG2-CB 3.68Å; I98-V103 HydrophobicContact CG2-CG2 3.61Å; I98-I106 HydrophobicContact CG1-CD1 4.4Å; I98-V121 HydrophobicContact CD1-CB 4.22Å; I98-V121 HydrophobicContact CD1-CG1 3.58Å; I98-Y125 HydrophobicContact CG2-CD1 4.07Å; I98-Y125 HydrophobicContact CG2-CD2 3.96Å; I98-Y125 HydrophobicContact CG2-CE1 4.39Å; I98-Y125 HydrophobicContact CG2-CE2 4.3Å; I98-Y125 HydrophobicContact CG2-CG 3.83Å
99N93.3Very high93Very high62 Ų6254.1 Ų54.133%0.33229%0.29SS..  trans-143.7172.9177.66164.7000111.3N101 N102 V103 Y125N99-N101 PolarHBondContact O-N 3.28Å; N99-N101 VanDerWaalsContact O-N 3.08Å; N99-N101 WeakPolarHBondContact OD1-CA 3.49Å; N99-N101 WeakPolarHBondContact OD1-CB 3.5Å; N99-N101 PolarHBondContact OD1-N 3.34Å; N99-N102 PolarHBondContact N-OD1 3.4Å; N99-N102 PolarHBondContact ND2-ND2 3.38Å; N99-N102 PolarHBondContact O-N 3.33Å; N99-N102 PolarHBondContact O-OD1 3.27Å; N99-N102 VanDerWaalsContact O-OD1 3.07Å; N99-N102 PolarHBondContact OD1-N 2.91Å; N99-N102 PolarHBondContact OD1-OD1 3.48Å; N99-V103 VanDerWaalsContact O-CB 3.3Å; N99-V103 WeakPolarHBondContact O-CB 3.19Å; N99-V103 WeakPolarHBondContact O-CG1 3.21Å; N99-V103 PolarHBondContact O-N 3.06Å; N99-Y125 WeakPolarHBondContact CA-OH 3.32Å
100D90.6Very high93.1Very high110 Ų11051 Ų5159%0.58827%0.273SS*.THydrogen-bonded Turntrans-58.4-24-177.2-68.8-36.1000114.3Y125D100-Y125 PolarHBondContact N-OH 2.91Å; D100-Y125 PolarHBondContact OD1-OH 3.12Å
101N90.7Very high93.1Very high146 Ų14651.9 Ų51.978%0.78128%0.28SS*.THydrogen-bonded Turntrans-86.3-31.1-177.7-59.5-41.9000113.1N99N99-N101 PolarHBondContact O-N 3.28Å; N99-N101 VanDerWaalsContact O-N 3.08Å; N99-N101 WeakPolarHBondContact OD1-CA 3.49Å; N99-N101 WeakPolarHBondContact OD1-CB 3.5Å; N99-N101 PolarHBondContact OD1-N 3.34Å
102N93.1Very high93.1Very high36 Ų3655.8 Ų55.819%0.19329%0.294CS..THydrogen-bonded Turntrans-109.6-15.6-17370.66.5000114.2D97 N99 Q104 D105 I106D97-N102 PolarHBondContact O-ND2 3.38Å; N99-N102 PolarHBondContact N-OD1 3.4Å; N99-N102 PolarHBondContact ND2-ND2 3.38Å; N99-N102 PolarHBondContact O-N 3.33Å; N99-N102 PolarHBondContact O-OD1 3.27Å; N99-N102 VanDerWaalsContact O-OD1 3.07Å; N99-N102 PolarHBondContact OD1-N 2.91Å; N99-N102 PolarHBondContact OD1-OD1 3.48Å; N102-Q104 VanDerWaalsContact C-N 3.29Å; N102-Q104 PolarHBondContact O-N 3.06Å; N102-D105 PolarHBondContact O-N 2.9Å; N102-I106 HydrophobicContact CB-CD1 3.97Å; N102-I106 HydrophobicContact CB-CG1 4.49Å; N102-I106 VanDerWaalsContact O-CG1 3.32Å; N102-I106 WeakPolarHBondContact O-CG1 3.41Å; N102-I106 PolarHBondContact O-N 2.82Å
103V94.7Very high93.2Very high3 Ų355.6 Ų55.62%0.01829%0.293CS..Hα-helixtrans-60.3-37-170.661.70000113I98 N99 F107 C122 Y125 L126I98-V103 HydrophobicContact CG2-CB 3.68Å; I98-V103 HydrophobicContact CG2-CG2 3.61Å; N99-V103 VanDerWaalsContact O-CB 3.3Å; N99-V103 WeakPolarHBondContact O-CB 3.19Å; N99-V103 WeakPolarHBondContact O-CG1 3.21Å; N99-V103 PolarHBondContact O-N 3.06Å; V103-F107 WeakPolarHBondContact O-CB 3.43Å; V103-F107 PolarHBondContact O-N 3.29Å; V103-C122 HydrophobicContact CG2-CB 4.35Å; V103-Y125 HydrophobicContact CB-CD1 4.13Å; V103-Y125 HydrophobicContact CB-CE1 4.3Å; V103-Y125 HydrophobicContact CG1-CD1 4.22Å; V103-Y125 HydrophobicContact CG1-CE1 4.16Å; V103-Y125 HydrophobicContact CG2-CD1 3.78Å; V103-Y125 HydrophobicContact CG2-CE1 4.45Å; V103-Y125 HydrophobicContact CG2-CG 4.39Å; V103-L126 HydrophobicContact CB-CD2 4.47Å; V103-L126 HydrophobicContact CG1-CD2 3.69Å; V103-L126 HydrophobicContact CG2-CD1 4.31Å; V103-L126 HydrophobicContact CG2-CD2 3.92Å; V103-L126 HydrophobicContact CG2-CG 3.81Å
104Q93.3Very high93.4Very high88 Ų8859.4 Ų59.441%0.41131%0.309SS..Hα-helixtrans-67.5-46.9-178-62.1-173.313.300110.9N102 F107 V108 L141N102-Q104 VanDerWaalsContact C-N 3.29Å; N102-Q104 PolarHBondContact O-N 3.06Å; Q104-F107 PolarHBondContact O-N 3.3Å; Q104-V108 VanDerWaalsContact O-CG2 3.31Å; Q104-V108 WeakPolarHBondContact O-CG2 3.34Å; Q104-V108 PolarHBondContact O-N 3.34Å; Q104-L141 HydrophobicContact CB-CD2 4.27Å; Q104-L141 HydrophobicContact CG-CD2 4.01Å
105D93.5Very high93.6Very high83 Ų8356.6 Ų56.644%0.44429%0.286SS..Hα-helixtrans-66.8-45.9-180-58-45.5000110.9V83 N102 F107 V108 V109V83-D105 HydrophobicContact CG1-CB 4.32Å; V83-D105 HydrophobicContact CG2-CB 3.78Å; N102-D105 PolarHBondContact O-N 2.9Å; D105-F107 PolarHBondContact O-N 2.94Å; D105-V108 PolarHBondContact O-N 2.86Å; D105-V109 VanDerWaalsContact O-CG2 3.22Å; D105-V109 WeakPolarHBondContact O-CG2 3.34Å; D105-V109 PolarHBondContact O-N 2.99Å
106I95.6Very high93.7Very high2 Ų253.5 Ų53.51%0.0128%0.279CS..Hα-helixtrans-56.9-42.2174.9-66.8171.7000110.3V83 V86 I87 I96 I98 N102 V109 A110 V118V83-I106 HydrophobicContact CG1-CG1 4Å; V86-I106 HydrophobicContact CG1-CD1 4.35Å; I87-I106 HydrophobicContact CD1-CG2 4.09Å; I96-I106 HydrophobicContact CD1-CD1 4.35Å; I96-I106 HydrophobicContact CD1-CG2 3.81Å; I98-I106 HydrophobicContact CG1-CD1 4.4Å; N102-I106 HydrophobicContact CB-CD1 3.97Å; N102-I106 HydrophobicContact CB-CG1 4.49Å; N102-I106 VanDerWaalsContact O-CG1 3.32Å; N102-I106 WeakPolarHBondContact O-CG1 3.41Å; N102-I106 PolarHBondContact O-N 2.82Å; I106-V109 PolarHBondContact O-N 2.89Å; I106-A110 VanDerWaalsContact O-CB 3.26Å; I106-A110 WeakPolarHBondContact O-CB 3.38Å; I106-A110 PolarHBondContact O-N 2.85Å; I106-V118 HydrophobicContact CG2-CG1 3.52Å
107F95.4Very high93.7Very high0 Ų054.2 Ų54.20%029%0.287CS..Hα-helixtrans-65.5-43.9-179.5-176.3-134.6000112.6V103 Q104 D105 V109 A110 N111 F119 C122 V123 L126 L141 L145 C147 L150V103-F107 WeakPolarHBondContact O-CB 3.43Å; V103-F107 PolarHBondContact O-N 3.29Å; Q104-F107 PolarHBondContact O-N 3.3Å; D105-F107 PolarHBondContact O-N 2.94Å; F107-V109 VanDerWaalsContact C-N 3.29Å; F107-V109 PolarHBondContact O-N 3.39Å; F107-A110 PolarHBondContact O-N 3.37Å; F107-N111 WeakPolarHBondContact O-CB 3.47Å; F107-N111 PolarHBondContact O-N 3.49Å; F107-F119 HydrophobicContact CD2-CD2 4.01Å; F107-F119 HydrophobicContact CD2-CE2 4.29Å; F107-F119 HydrophobicContact CE2-CD1 4.4Å; F107-F119 AromaticContact CE2-CD2 3.39Å; F107-F119 HydrophobicContact CE2-CD2 3.39Å; F107-F119 HydrophobicContact CE2-CE1 4.34Å; F107-F119 AromaticContact CE2-CE2 3.31Å; F107-F119 HydrophobicContact CE2-CE2 3.31Å; F107-F119 AromaticContact CE2-CG 3.96Å; F107-F119 HydrophobicContact CE2-CG 3.96Å; F107-F119 AromaticContact CE2-CZ 3.82Å; F107-F119 HydrophobicContact CE2-CZ 3.82Å; F107-F119 HydrophobicContact CZ-CD2 4.27Å; F107-F119 AromaticContact CZ-CE2 3.73Å; F107-F119 HydrophobicContact CZ-CE2 3.73Å; F107-F119 HydrophobicContact CZ-CZ 4.02Å; F107-C122 HydrophobicContact CB-CB 3.82Å; F107-C122 HydrophobicContact CD2-CB 3.5Å; F107-C122 VanDerWaalsContact CD2-CB 3.5Å; F107-C122 HydrophobicContact CE2-CB 4.35Å; F107-C122 HydrophobicContact CG-CB 3.91Å; F107-V123 HydrophobicContact CE2-CG2 3.5Å; F107-V123 VanDerWaalsContact CE2-CG2 3.5Å; F107-V123 HydrophobicContact CZ-CG2 3.63Å; F107-L126 HydrophobicContact CD1-CD1 3.81Å; F107-L126 HydrophobicContact CE1-CD1 4.22Å; F107-L126 HydrophobicContact CG-CD1 4.26Å; F107-L141 HydrophobicContact CD1-CD2 3.97Å; F107-L141 HydrophobicContact CD1-CG 4.14Å; F107-L141 HydrophobicContact CE1-CD2 4.5Å; F107-L141 HydrophobicContact CE1-CG 4.34Å; F107-L145 HydrophobicContact CD1-CD1 3.3Å; F107-L145 HydrophobicContact CE1-CD1 3.29Å; F107-L145 HydrophobicContact CE1-CG 4.5Å; F107-L145 HydrophobicContact CG-CD1 4.08Å; F107-L145 HydrophobicContact CZ-CD1 4.06Å; F107-C147 HydrophobicContact CZ-CB 4.11Å; F107-L150 HydrophobicContact CD1-CD2 4.45Å; F107-L150 HydrophobicContact CE1-CD2 3.59Å; F107-L150 HydrophobicContact CZ-CD2 4.06Å
108V94.2Very high93.8Very high55 Ų5547.6 Ų47.633%0.33325%0.252SS..Hα-helixtrans-59-43.8175.5171.60000110.5Q104 D105 N111 R112 L141 L145Q104-V108 VanDerWaalsContact O-CG2 3.31Å; Q104-V108 WeakPolarHBondContact O-CG2 3.34Å; Q104-V108 PolarHBondContact O-N 3.34Å; D105-V108 PolarHBondContact O-N 2.86Å; V108-N111 PolarHBondContact O-N 3.3Å; V108-R112 WeakPolarHBondContact O-CB 3.47Å; V108-R112 PolarHBondContact O-N 2.79Å; V108-L141 HydrophobicContact CG2-CD1 4.12Å; V108-L145 HydrophobicContact CG2-CD1 4.09Å; V108-L145 HydrophobicContact CG2-CD2 4.24Å
109V94.5Very high93.9Very high6 Ų648.6 Ų48.64%0.03626%0.255CS..Hα-helixtrans-69.5-45.1-178.9177.20000111.8L79 V83 M84 I87 D105 I106 F107 N111 R112 F113L79-V109 HydrophobicContact CD1-CB 4.31Å; L79-V109 HydrophobicContact CD1-CG1 4.15Å; L79-V109 HydrophobicContact CD1-CG2 3.18Å; V83-V109 HydrophobicContact CG1-CB 4.08Å; V83-V109 HydrophobicContact CG1-CG1 4.47Å; V83-V109 HydrophobicContact CG1-CG2 3.67Å; M84-V109 HydrophobicContact SD-CG1 4.31Å; I87-V109 HydrophobicContact CG1-CG1 3.85Å; D105-V109 VanDerWaalsContact O-CG2 3.22Å; D105-V109 WeakPolarHBondContact O-CG2 3.34Å; D105-V109 PolarHBondContact O-N 2.99Å; I106-V109 PolarHBondContact O-N 2.89Å; F107-V109 VanDerWaalsContact C-N 3.29Å; F107-V109 PolarHBondContact O-N 3.39Å; V109-N111 VanDerWaalsContact C-N 3.28Å; V109-N111 PolarHBondContact O-N 2.8Å; V109-R112 PolarHBondContact O-N 3.37Å; V109-F113 HydrophobicContact CG1-CD2 3.53Å; V109-F113 HydrophobicContact CG1-CE2 3.7Å; V109-F113 WeakPolarHBondContact O-CD2 3.21Å; V109-F113 PolarHBondContact O-N 2.98Å
110A95.2Very high93.9Very high0 Ų048.7 Ų48.70%026%0.258CS..Hα-helixtrans-61.2-38175.600000111.8I106 F107 Q114 I115 V118 F119I106-A110 VanDerWaalsContact O-CB 3.26Å; I106-A110 WeakPolarHBondContact O-CB 3.38Å; I106-A110 PolarHBondContact O-N 2.85Å; F107-A110 PolarHBondContact O-N 3.37Å; A110-Q114 CarbonylContact O-C 3.5Å; A110-Q114 WeakPolarHBondContact O-CA 3.15Å; A110-Q114 PolarHBondContact O-N 2.9Å; A110-I115 HydrophobicContact CB-CB 4.45Å; A110-I115 PolarHBondContact O-N 3Å; A110-V118 HydrophobicContact CB-CB 3.9Å; A110-V118 HydrophobicContact CB-CG1 3.72Å; A110-F119 HydrophobicContact CB-CB 4.42Å
111N94.6Very high94.1Very high56 Ų5646.9 Ų46.930%0.29925%0.25SS..Hα-helixtrans-67.5-49173.8-174.463.4000111.7F107 V108 V109 F113 Q114 F119 L145F107-N111 WeakPolarHBondContact O-CB 3.47Å; F107-N111 PolarHBondContact O-N 3.49Å; V108-N111 PolarHBondContact O-N 3.3Å; V109-N111 VanDerWaalsContact C-N 3.28Å; V109-N111 PolarHBondContact O-N 2.8Å; N111-F113 VanDerWaalsContact C-N 3.33Å; N111-F113 PolarHBondContact O-N 3.1Å; N111-Q114 PolarHBondContact O-N 3.01Å; N111-Q114 VanDerWaalsContact O-N 3.1Å; N111-F119 HydrophobicContact CB-CD2 4Å; N111-F119 HydrophobicContact CB-CE2 4.01Å; N111-F119 WeakPolarHBondContact OD1-CE2 3.45Å; N111-L145 HydrophobicContact CB-CD2 4.33Å
112R93.4Very high94.4Very high102 Ų10239.9 Ų39.939%0.38521%0.213SC..Hα-helixtrans-57.7-44.4-179.3-179179-179.5-178.6-1.9112.2E77 V108 V109E77-R112 PolarHBondContact O-NH1 3.49Å; E77-R112 PolarHBondContact O-NH2 3.3Å; V108-R112 WeakPolarHBondContact O-CB 3.47Å; V108-R112 PolarHBondContact O-N 2.79Å; V109-R112 PolarHBondContact O-N 3.37Å
113F93.9Very high94.5Very high0 Ų038.3 Ų38.30%021%0.205CC..THydrogen-bonded Turntrans-95.712.2179.4-56.9-52.2000113.1S54 Y56 F57 L76 L79 M84 V109 N111 I115S54-F113 WeakPolarHBondContact CB-O 3.3Å; S54-F113 PolarHBondContact OG-O 3.29Å; Y56-F113 HydrophobicContact CD1-CB 4.5Å; Y56-F113 AromaticContact CD1-CD1 3.54Å; Y56-F113 HydrophobicContact CD1-CD1 3.54Å; Y56-F113 HydrophobicContact CD1-CE1 4.28Å; Y56-F113 HydrophobicContact CD1-CG 4.46Å; Y56-F113 AromaticContact CE1-CD1 3.54Å; Y56-F113 HydrophobicContact CE1-CD1 3.54Å; Y56-F113 AromaticContact CE1-CE1 3.8Å; Y56-F113 HydrophobicContact CE1-CE1 3.8Å; Y56-F113 HydrophobicContact CG-CD1 4.14Å; F57-F113 HydrophobicContact CE2-CB 4.09Å; F57-F113 HydrophobicContact CE2-CD1 4.31Å; F57-F113 HydrophobicContact CE2-CG 4.13Å; F57-F113 HydrophobicContact CZ-CD1 4.06Å; F57-F113 HydrophobicContact CZ-CE1 4.38Å; F57-F113 HydrophobicContact CZ-CG 4.22Å; L76-F113 HydrophobicContact CD1-CE1 4.37Å; L76-F113 HydrophobicContact CD1-CE2 4.32Å; L76-F113 HydrophobicContact CD1-CZ 3.77Å; L76-F113 HydrophobicContact CD2-CE1 3.83Å; L76-F113 HydrophobicContact CD2-CZ 3.87Å; L76-F113 HydrophobicContact CG-CZ 4.28Å; L79-F113 HydrophobicContact CD2-CE2 3.78Å; L79-F113 HydrophobicContact CD2-CZ 3.98Å; M84-F113 HydrophobicContact CE-CD2 4.5Å; M84-F113 HydrophobicContact SD-CD2 4.01Å; M84-F113 HydrophobicContact SD-CE2 3.58Å; M84-F113 VanDerWaalsContact SD-CE2 3.58Å; M84-F113 HydrophobicContact SD-CZ 4.42Å; V109-F113 HydrophobicContact CG1-CD2 3.53Å; V109-F113 HydrophobicContact CG1-CE2 3.7Å; V109-F113 WeakPolarHBondContact O-CD2 3.21Å; V109-F113 PolarHBondContact O-N 2.98Å; N111-F113 VanDerWaalsContact C-N 3.33Å; N111-F113 PolarHBondContact O-N 3.1Å; F113-I115 HydrophobicContact CB-CD1 4.33Å; F113-I115 HydrophobicContact CB-CG1 4.28Å; F113-I115 PolarHBondContact O-N 2.79Å
114Q95Very high94.5Very high89 Ų8941 Ų4142%0.41622%0.219SC..THydrogen-bonded Turntrans50.949.3173.9-55.7-179.122.300113.9P55 A110 N111 P116P55-Q114 WeakPolarHBondContact CD-O 3.42Å; P55-Q114 HydrophobicContact CG-CB 4.37Å; A110-Q114 CarbonylContact O-C 3.5Å; A110-Q114 WeakPolarHBondContact O-CA 3.15Å; A110-Q114 PolarHBondContact O-N 2.9Å; N111-Q114 PolarHBondContact O-N 3.01Å; N111-Q114 VanDerWaalsContact O-N 3.1Å; Q114-P116 WeakPolarHBondContact O-CD 3.34Å
115I95.5Very high94.6Very high1 Ų140.1 Ų40.11%0.00521%0.212CC..  trans-9595.6178.9-55.5176.5000108.5I87 Y90 L91 A110 F113 S117 V118 F119I87-I115 HydrophobicContact CD1-CD1 4.45Å; I87-I115 HydrophobicContact CG2-CD1 3.26Å; Y90-I115 HydrophobicContact CE1-CG2 4.36Å; L91-I115 HydrophobicContact CD2-CD1 4.44Å; L91-I115 HydrophobicContact CD2-CG2 4.27Å; A110-I115 HydrophobicContact CB-CB 4.45Å; A110-I115 PolarHBondContact O-N 3Å; F113-I115 HydrophobicContact CB-CD1 4.33Å; F113-I115 HydrophobicContact CB-CG1 4.28Å; F113-I115 PolarHBondContact O-N 2.79Å; I115-S117 PolarHBondContact O-N 3.24Å; I115-V118 HydrophobicContact CG2-CB 4.06Å; I115-V118 HydrophobicContact CG2-CG2 3.72Å; I115-V118 PolarHBondContact O-N 2.88Å; I115-F119 WeakPolarHBondContact O-CB 3.19Å; I115-F119 PolarHBondContact O-N 3.39Å
116P91.8Very high94.7Very high78 Ų7836.3 Ų36.351%0.50619%0.192SC..Hα-helixtrans-70.7-31.5-162-20.436000113.6Q114 T120Q114-P116 WeakPolarHBondContact O-CD 3.34Å; P116-T120 WeakPolarHBondContact O-CB 3.36Å; P116-T120 PolarHBondContact O-N 2.96Å; P116-T120 PolarHBondContact O-OG1 3.27Å
117S93.4Very high94.7Very high52 Ų5238.6 Ų38.636%0.36420%0.203SC..Hα-helixtrans-65.7-51.7178.852.90000111.4Y90 I115 T120 V121Y90-S117 WeakPolarHBondContact OH-CB 3.48Å; Y90-S117 PolarHBondContact OH-OG 3.18Å; I115-S117 PolarHBondContact O-N 3.24Å; S117-T120 PolarHBondContact O-N 2.91Å; S117-V121 WeakPolarHBondContact O-CG2 3.26Å; S117-V121 PolarHBondContact O-N 3.28Å; S117-V121 VanDerWaalsContact O-N 3.11Å
118V95.4Very high94.5Very high1 Ų147.5 Ų47.51%0.00624%0.241CC..Hα-helixtrans-62.8-44.9176.3-178.30000110.5I87 Y90 I96 I106 A110 I115 T120 V121 C122I87-V118 HydrophobicContact CD1-CG1 3.96Å; I87-V118 HydrophobicContact CD1-CG2 4.33Å; Y90-V118 HydrophobicContact CD1-CG2 3.33Å; Y90-V118 HydrophobicContact CD2-CG2 4.45Å; Y90-V118 HydrophobicContact CE1-CG2 3.2Å; Y90-V118 HydrophobicContact CE2-CG2 4.33Å; Y90-V118 HydrophobicContact CG-CG2 3.98Å; I96-V118 HydrophobicContact CD1-CG1 3.86Å; I96-V118 HydrophobicContact CD1-CG2 4.28Å; I106-V118 HydrophobicContact CG2-CG1 3.52Å; A110-V118 HydrophobicContact CB-CB 3.9Å; A110-V118 HydrophobicContact CB-CG1 3.72Å; I115-V118 HydrophobicContact CG2-CB 4.06Å; I115-V118 HydrophobicContact CG2-CG2 3.72Å; I115-V118 PolarHBondContact O-N 2.88Å; V118-T120 VanDerWaalsContact C-N 3.29Å; V118-T120 PolarHBondContact O-N 2.78Å; V118-V121 PolarHBondContact O-N 2.83Å; V118-C122 WeakPolarHBondContact O-CB 3.34Å; V118-C122 PolarHBondContact O-N 2.81Å; V118-C122 PolarHBondContact O-SG 2.92Å; V118-C122 VanDerWaalsContact O-SG 3.35Å
119F94.7Very high94.4Very high50 Ų5046.2 Ų46.222%0.21924%0.235CC..Hα-helixtrans-53.2-47.9176.3-179-85000111.6F107 A110 N111 I115 V121 C122 V123 C147F107-F119 HydrophobicContact CD2-CD2 4.01Å; F107-F119 HydrophobicContact CD2-CE2 4.29Å; F107-F119 HydrophobicContact CE2-CD1 4.4Å; F107-F119 AromaticContact CE2-CD2 3.39Å; F107-F119 HydrophobicContact CE2-CD2 3.39Å; F107-F119 HydrophobicContact CE2-CE1 4.34Å; F107-F119 AromaticContact CE2-CE2 3.31Å; F107-F119 HydrophobicContact CE2-CE2 3.31Å; F107-F119 AromaticContact CE2-CG 3.96Å; F107-F119 HydrophobicContact CE2-CG 3.96Å; F107-F119 AromaticContact CE2-CZ 3.82Å; F107-F119 HydrophobicContact CE2-CZ 3.82Å; F107-F119 HydrophobicContact CZ-CD2 4.27Å; F107-F119 AromaticContact CZ-CE2 3.73Å; F107-F119 HydrophobicContact CZ-CE2 3.73Å; F107-F119 HydrophobicContact CZ-CZ 4.02Å; A110-F119 HydrophobicContact CB-CB 4.42Å; N111-F119 HydrophobicContact CB-CD2 4Å; N111-F119 HydrophobicContact CB-CE2 4.01Å; N111-F119 WeakPolarHBondContact OD1-CE2 3.45Å; I115-F119 WeakPolarHBondContact O-CB 3.19Å; I115-F119 PolarHBondContact O-N 3.39Å; F119-V121 PolarHBondContact O-N 2.91Å; F119-C122 PolarHBondContact O-N 3.09Å; F119-V123 HydrophobicContact CD1-CG2 4.13Å; F119-V123 HydrophobicContact CE1-CG2 3.79Å; F119-V123 HydrophobicContact CZ-CG2 4.17Å; F119-V123 WeakPolarHBondContact O-CG2 3.37Å; F119-V123 PolarHBondContact O-N 2.87Å; F119-C147 HydrophobicContact CZ-CB 4.15Å
120T94Very high94.3Very high65 Ų6547.1 Ų47.140%0.39924%0.239SC..Hα-helixtrans-63.7-43.1-179.3-60.50000111.9P116 S117 V118 V123 N124P116-T120 WeakPolarHBondContact O-CB 3.36Å; P116-T120 PolarHBondContact O-N 2.96Å; P116-T120 PolarHBondContact O-OG1 3.27Å; S117-T120 PolarHBondContact O-N 2.91Å; V118-T120 VanDerWaalsContact C-N 3.29Å; V118-T120 PolarHBondContact O-N 2.78Å; T120-V123 PolarHBondContact O-N 2.92Å; T120-N124 VanDerWaalsContact O-CG 3.25Å; T120-N124 PolarHBondContact O-N 3.02Å; T120-N124 PolarHBondContact O-ND2 3.08Å
121V94.8Very high94.1Very high71 Ų7150.2 Ų50.243%0.4326%0.258SS..Hα-helixtrans-66.2-43.3178.5179.50000110.9I98 S117 V118 F119 V123 N124 Y125I98-V121 HydrophobicContact CD1-CB 4.22Å; I98-V121 HydrophobicContact CD1-CG1 3.58Å; S117-V121 WeakPolarHBondContact O-CG2 3.26Å; S117-V121 PolarHBondContact O-N 3.28Å; S117-V121 VanDerWaalsContact O-N 3.11Å; V118-V121 PolarHBondContact O-N 2.83Å; F119-V121 PolarHBondContact O-N 2.91Å; V121-V123 PolarHBondContact O-N 3.12Å; V121-N124 PolarHBondContact O-N 3.37Å; V121-Y125 WeakPolarHBondContact O-CB 3.41Å; V121-Y125 PolarHBondContact O-N 3.24Å
122C96Very high94Very high0 Ų052.8 Ų52.80%027%0.267CS..Hα-helixtrans-59.2-45.8175.2-71.70000112.2V103 F107 V118 F119 N124 Y125 L126V103-C122 HydrophobicContact CG2-CB 4.35Å; F107-C122 HydrophobicContact CB-CB 3.82Å; F107-C122 HydrophobicContact CD2-CB 3.5Å; F107-C122 VanDerWaalsContact CD2-CB 3.5Å; F107-C122 HydrophobicContact CE2-CB 4.35Å; F107-C122 HydrophobicContact CG-CB 3.91Å; V118-C122 WeakPolarHBondContact O-CB 3.34Å; V118-C122 PolarHBondContact O-N 2.81Å; V118-C122 PolarHBondContact O-SG 2.92Å; V118-C122 VanDerWaalsContact O-SG 3.35Å; F119-C122 PolarHBondContact O-N 3.09Å; C122-N124 PolarHBondContact O-N 2.84Å; C122-Y125 PolarHBondContact O-N 2.87Å; C122-L126 WeakPolarHBondContact O-CB 3.47Å; C122-L126 VanDerWaalsContact O-CG 3.31Å; C122-L126 WeakPolarHBondContact O-CG 3.49Å; C122-L126 PolarHBondContact O-N 3.43Å
123V95.4Very high93.8Very high3 Ų357 Ų572%0.01829%0.288CS..Hα-helixtrans-59.7-47.4176.2171.40000110.7F107 F119 T120 V121 Y125 L126 Q127 L150F107-V123 HydrophobicContact CE2-CG2 3.5Å; F107-V123 VanDerWaalsContact CE2-CG2 3.5Å; F107-V123 HydrophobicContact CZ-CG2 3.63Å; F119-V123 HydrophobicContact CD1-CG2 4.13Å; F119-V123 HydrophobicContact CE1-CG2 3.79Å; F119-V123 HydrophobicContact CZ-CG2 4.17Å; F119-V123 WeakPolarHBondContact O-CG2 3.37Å; F119-V123 PolarHBondContact O-N 2.87Å; T120-V123 PolarHBondContact O-N 2.92Å; V121-V123 PolarHBondContact O-N 3.12Å; V123-Y125 VanDerWaalsContact C-N 3.32Å; V123-Y125 PolarHBondContact O-N 3.04Å; V123-L126 PolarHBondContact O-N 2.98Å; V123-Q127 HydrophobicContact CG1-CG 4.3Å; V123-Q127 WeakPolarHBondContact O-CB 3.45Å; V123-Q127 VanDerWaalsContact O-CG 3.25Å; V123-Q127 WeakPolarHBondContact O-CG 3.42Å; V123-Q127 PolarHBondContact O-N 3.21Å; V123-L150 HydrophobicContact CG1-CB 4.46Å
124N94.9Very high93.7Very high59 Ų5958.4 Ų58.432%0.31630%0.298SS..Hα-helixtrans-62-40179-71.3-24.7000112.1T120 V121 C122 K128 R149T120-N124 VanDerWaalsContact O-CG 3.25Å; T120-N124 PolarHBondContact O-N 3.02Å; T120-N124 PolarHBondContact O-ND2 3.08Å; V121-N124 PolarHBondContact O-N 3.37Å; C122-N124 PolarHBondContact O-N 2.84Å; N124-K128 WeakPolarHBondContact O-CG 3.42Å; N124-K128 PolarHBondContact O-N 3.16Å; N124-R149 PolarHBondContact OD1-NH2 3.39Å
125Y95.3Very high93.8Very high70 Ų7054.2 Ų54.228%0.27528%0.278SS..Hα-helixtrans-63.4-52.5176.6-174-85.3000111I98 N99 D100 V103 V121 C122 V123 Q127 K128 S129I98-Y125 HydrophobicContact CG2-CD1 4.07Å; I98-Y125 HydrophobicContact CG2-CD2 3.96Å; I98-Y125 HydrophobicContact CG2-CE1 4.39Å; I98-Y125 HydrophobicContact CG2-CE2 4.3Å; I98-Y125 HydrophobicContact CG2-CG 3.83Å; N99-Y125 WeakPolarHBondContact CA-OH 3.32Å; D100-Y125 PolarHBondContact N-OH 2.91Å; D100-Y125 PolarHBondContact OD1-OH 3.12Å; V103-Y125 HydrophobicContact CB-CD1 4.13Å; V103-Y125 HydrophobicContact CB-CE1 4.3Å; V103-Y125 HydrophobicContact CG1-CD1 4.22Å; V103-Y125 HydrophobicContact CG1-CE1 4.16Å; V103-Y125 HydrophobicContact CG2-CD1 3.78Å; V103-Y125 HydrophobicContact CG2-CE1 4.45Å; V103-Y125 HydrophobicContact CG2-CG 4.39Å; V121-Y125 WeakPolarHBondContact O-CB 3.41Å; V121-Y125 PolarHBondContact O-N 3.24Å; C122-Y125 PolarHBondContact O-N 2.87Å; V123-Y125 VanDerWaalsContact C-N 3.32Å; V123-Y125 PolarHBondContact O-N 3.04Å; Y125-Q127 VanDerWaalsContact C-N 3.3Å; Y125-Q127 PolarHBondContact O-N 3.18Å; Y125-K128 PolarHBondContact O-N 2.93Å; Y125-S129 PolarHBondContact O-N 3.21Å; Y125-S129 PolarHBondContact O-OG 2.66Å
126L95.7Very high93.8Very high3 Ų354.5 Ų54.52%0.01628%0.28CS..Hα-helixtrans-61.8-36.3-179.8-70.7171.3000112.6V103 F107 C122 V123 K128 S129 L130 I138 L141 L150V103-L126 HydrophobicContact CB-CD2 4.47Å; V103-L126 HydrophobicContact CG1-CD2 3.69Å; V103-L126 HydrophobicContact CG2-CD1 4.31Å; V103-L126 HydrophobicContact CG2-CD2 3.92Å; V103-L126 HydrophobicContact CG2-CG 3.81Å; F107-L126 HydrophobicContact CD1-CD1 3.81Å; F107-L126 HydrophobicContact CE1-CD1 4.22Å; F107-L126 HydrophobicContact CG-CD1 4.26Å; C122-L126 WeakPolarHBondContact O-CB 3.47Å; C122-L126 VanDerWaalsContact O-CG 3.31Å; C122-L126 WeakPolarHBondContact O-CG 3.49Å; C122-L126 PolarHBondContact O-N 3.43Å; V123-L126 PolarHBondContact O-N 2.98Å; L126-K128 VanDerWaalsContact C-N 3.34Å; L126-S129 WeakPolarHBondContact CA-OG 3.49Å; L126-S129 PolarHBondContact O-N 3.23Å; L126-S129 PolarHBondContact O-OG 2.88Å; L126-L130 PolarHBondContact O-N 3.12Å; L126-I138 HydrophobicContact CB-CG2 4.41Å; L126-I138 HydrophobicContact CD2-CD1 4.24Å; L126-I138 HydrophobicContact CD2-CG1 4.28Å; L126-L141 HydrophobicContact CD1-CD2 4.12Å; L126-L150 HydrophobicContact CB-CD1 3.81Å; L126-L150 HydrophobicContact CB-CD2 4.48Å; L126-L150 HydrophobicContact CD1-CD2 3.84Å
127Q94.5Very high93.9Very high49 Ų4953 Ų5323%0.22927%0.274CS..Hα-helixtrans-63.7-39.6173.9-75.8-174.4-3800111.8V123 Y125 R149 L150 A153V123-Q127 HydrophobicContact CG1-CG 4.3Å; V123-Q127 WeakPolarHBondContact O-CB 3.45Å; V123-Q127 VanDerWaalsContact O-CG 3.25Å; V123-Q127 WeakPolarHBondContact O-CG 3.42Å; V123-Q127 PolarHBondContact O-N 3.21Å; Y125-Q127 VanDerWaalsContact C-N 3.3Å; Y125-Q127 PolarHBondContact O-N 3.18Å; Q127-R149 PolarHBondContact NE2-O 2.87Å; Q127-L150 HydrophobicContact CG-CD1 3.89Å; Q127-A153 HydrophobicContact CG-CB 4.04Å
128K92Very high94Very high188 Ų18850.7 Ų50.782%0.81726%0.258SS*.Hα-helixtrans-76.1-25.4178.3-71.5178.5179.4-175.80113.2N124 Y125 L126N124-K128 WeakPolarHBondContact O-CG 3.42Å; N124-K128 PolarHBondContact O-N 3.16Å; Y125-K128 PolarHBondContact O-N 2.93Å; L126-K128 VanDerWaalsContact C-N 3.34Å
129S91.6Very high94.1Very high27 Ų2751 Ų5119%0.18926%0.258CS..THydrogen-bonded Turntrans-94.216.4179.368.50000114.1Y125 L126 T131 S134Y125-S129 PolarHBondContact O-N 3.21Å; Y125-S129 PolarHBondContact O-OG 2.66Å; L126-S129 WeakPolarHBondContact CA-OG 3.49Å; L126-S129 PolarHBondContact O-N 3.23Å; L126-S129 PolarHBondContact O-OG 2.88Å; S129-T131 PolarHBondContact O-N 3.11Å; S129-S134 PolarHBondContact O-OG 3.18Å; S129-S134 VanDerWaalsContact O-OG 3.08Å
130L93.2Very high94.1Very high25 Ų2551.8 Ų51.813%0.13126%0.26CS..  trans-64.1118.8174.7-79.6168.9000111.2L126 C135 I138 A154 Y157L126-L130 PolarHBondContact O-N 3.12Å; L130-C135 HydrophobicContact CD2-CB 4.17Å; L130-I138 HydrophobicContact CD2-CB 4.09Å; L130-I138 HydrophobicContact CD2-CD1 3.88Å; L130-I138 HydrophobicContact CD2-CG2 3.96Å; L130-A154 HydrophobicContact CD2-CB 3.97Å; L130-Y157 HydrophobicContact CB-CD2 3.77Å; L130-Y157 HydrophobicContact CB-CE2 3.96Å; L130-Y157 HydrophobicContact CB-CG 4.2Å; L130-Y157 HydrophobicContact CD1-CD2 4.34Å; L130-Y157 HydrophobicContact CD1-CG 4.42Å; L130-Y157 WeakPolarHBondContact O-CE2 3.42Å
131T91.8Very high94.1Very high66 Ų6649.3 Ų49.341%0.40524%0.244SC..  trans-128.6166.4174.870.40000110.2S129 K133 S134 C135 Y157S129-T131 PolarHBondContact O-N 3.11Å; T131-K133 PolarHBondContact O-N 2.99Å; T131-K133 VanDerWaalsContact O-N 3.14Å; T131-K133 PolarHBondContact OG1-N 3.05Å; T131-S134 PolarHBondContact N-OG 3.35Å; T131-S134 PolarHBondContact O-N 3.2Å; T131-S134 PolarHBondContact OG1-N 3.45Å; T131-S134 VanDerWaalsContact OG1-N 3.12Å; T131-S134 PolarHBondContact OG1-OG 2.92Å; T131-C135 VanDerWaalsContact O-CB 3.24Å; T131-C135 WeakPolarHBondContact O-CB 3.41Å; T131-C135 PolarHBondContact O-N 3.1Å; T131-Y157 WeakPolarHBondContact CA-OH 3.4Å
132K90.7Very high94.2Very high109 Ų10945.9 Ų45.947%0.47422%0.224SC..THydrogen-bonded Turntrans-52-36.2173.3-64-179.2-177.1177.90112.3C135 Y157 T164K132-C135 PolarHBondContact O-SG 2.86Å; K132-Y157 PolarHBondContact N-OH 3.46Å; K132-T164 HydrophobicContact CD-CG2 4.43Å
133K89.8Confident94.1Very high191 Ų19149.4 Ų49.483%0.8324%0.242SC*.THydrogen-bonded Turntrans-80.1-35.5-179.4-63.8-176.1178.6-179.40113.5T131T131-K133 PolarHBondContact O-N 2.99Å; T131-K133 VanDerWaalsContact O-N 3.14Å; T131-K133 PolarHBondContact OG1-N 3.05Å
134S92.8Very high94Very high30 Ų3056.1 Ų56.121%0.2128%0.275CS..THydrogen-bonded Turntrans-92-20.1-175.159.40000113.9S129 T131 L136 A137 I138S129-S134 PolarHBondContact O-OG 3.18Å; S129-S134 VanDerWaalsContact O-OG 3.08Å; T131-S134 PolarHBondContact N-OG 3.35Å; T131-S134 PolarHBondContact O-N 3.2Å; T131-S134 PolarHBondContact OG1-N 3.45Å; T131-S134 VanDerWaalsContact OG1-N 3.12Å; T131-S134 PolarHBondContact OG1-OG 2.92Å; S134-L136 PolarHBondContact O-N 3.2Å; S134-A137 PolarHBondContact O-N 3.19Å; S134-I138 WeakPolarHBondContact O-CG1 3.43Å; S134-I138 PolarHBondContact O-N 2.98Å
135C96Very high93.9Very high0 Ų054.2 Ų54.20%027%0.265CS..Hα-helixtrans-58.7-42.5-168.763.90000114.6L130 T131 K132 I138 Y139 Y157 I158L130-C135 HydrophobicContact CD2-CB 4.17Å; T131-C135 VanDerWaalsContact O-CB 3.24Å; T131-C135 WeakPolarHBondContact O-CB 3.41Å; T131-C135 PolarHBondContact O-N 3.1Å; K132-C135 PolarHBondContact O-SG 2.86Å; C135-I138 PolarHBondContact O-N 3.05Å; C135-Y139 VanDerWaalsContact O-CB 3.26Å; C135-Y139 WeakPolarHBondContact O-CB 3.43Å; C135-Y139 PolarHBondContact O-N 2.92Å; C135-Y157 HydrophobicContact CB-CD1 3.61Å; C135-Y157 HydrophobicContact CB-CE1 3.96Å; C135-I158 HydrophobicContact CB-CG1 4.07Å
136L96.2Very high93.8Very high7 Ų757.8 Ų57.84%0.03729%0.289CS..Hα-helixtrans-67.5-40.3179.4-65.5177.7000112S134 Y139 R140 I158 I165 D170 F171 L174S134-L136 PolarHBondContact O-N 3.2Å; L136-Y139 PolarHBondContact O-N 3.38Å; L136-R140 WeakPolarHBondContact O-CG 3.19Å; L136-R140 PolarHBondContact O-N 3.27Å; L136-I158 HydrophobicContact CD2-CD1 3.77Å; L136-I158 HydrophobicContact CD2-CG1 4.19Å; L136-I165 HydrophobicContact CD1-CG2 4.19Å; L136-I165 HydrophobicContact CD2-CG2 3.96Å; L136-I165 HydrophobicContact CG-CG2 4.13Å; L136-D170 HydrophobicContact CD1-CB 3.79Å; L136-F171 HydrophobicContact CD1-CB 4.1Å; L136-F171 HydrophobicContact CD2-CD2 4.29Å; L136-L174 HydrophobicContact CD2-CD1 4.3Å; L136-L174 HydrophobicContact CD2-CD2 4.38Å
137A93.9Very high93.7Very high47 Ų4758.1 Ų58.139%0.38829%0.291SS..Hα-helixtrans-66.5-44.9176.900000111.2S134 Y139 R140 L141S134-A137 PolarHBondContact O-N 3.19Å; A137-Y139 VanDerWaalsContact C-N 3.31Å; A137-Y139 PolarHBondContact O-N 3.32Å; A137-R140 PolarHBondContact O-N 3.27Å; A137-L141 WeakPolarHBondContact O-CB 3.38Å; A137-L141 PolarHBondContact O-N 3.41Å
138I95.5Very high93.7Very high4 Ų458.8 Ų58.82%0.02131%0.305CS..Hα-helixtrans-64.1-37.8176.6-66.2171.8000110.9L126 L130 S134 C135 L141 G142 L150 A154L126-I138 HydrophobicContact CB-CG2 4.41Å; L126-I138 HydrophobicContact CD2-CD1 4.24Å; L126-I138 HydrophobicContact CD2-CG1 4.28Å; L130-I138 HydrophobicContact CD2-CB 4.09Å; L130-I138 HydrophobicContact CD2-CD1 3.88Å; L130-I138 HydrophobicContact CD2-CG2 3.96Å; S134-I138 WeakPolarHBondContact O-CG1 3.43Å; S134-I138 PolarHBondContact O-N 2.98Å; C135-I138 PolarHBondContact O-N 3.05Å; I138-L141 PolarHBondContact O-N 2.86Å; I138-G142 PolarHBondContact O-N 2.88Å; I138-L150 HydrophobicContact CG2-CD1 3.63Å; I138-L150 HydrophobicContact CG2-CD2 4.15Å; I138-L150 HydrophobicContact CG2-CG 3.88Å; I138-A154 HydrophobicContact CG2-CB 4.15Å
139Y96.8Very high93.8Very high6 Ų656.1 Ų56.12%0.02429%0.289CS..Hα-helixtrans-60.1-51.8174176.3-121.4000111.8C135 L136 A137 L141 G142 L143 A151 A154 R155 I158 E178 A181 I182C135-Y139 VanDerWaalsContact O-CB 3.26Å; C135-Y139 WeakPolarHBondContact O-CB 3.43Å; C135-Y139 PolarHBondContact O-N 2.92Å; L136-Y139 PolarHBondContact O-N 3.38Å; A137-Y139 VanDerWaalsContact C-N 3.31Å; A137-Y139 PolarHBondContact O-N 3.32Å; Y139-L141 VanDerWaalsContact C-N 3.32Å; Y139-L141 PolarHBondContact O-N 3.08Å; Y139-G142 PolarHBondContact O-N 3.03Å; Y139-L143 HydrophobicContact CD1-CD1 4.34Å; Y139-L143 HydrophobicContact CE1-CD1 3.78Å; Y139-L143 HydrophobicContact CE2-CD1 4.05Å; Y139-L143 HydrophobicContact CE2-CD2 4.26Å; Y139-L143 HydrophobicContact CE2-CG 4.12Å; Y139-L143 WeakPolarHBondContact O-CG 3.05Å; Y139-L143 PolarHBondContact O-N 3.22Å; Y139-A151 HydrophobicContact CD2-CB 4.28Å; Y139-A151 VanDerWaalsContact CD2-O 3.29Å; Y139-A151 WeakPolarHBondContact CD2-O 3.25Å; Y139-A151 HydrophobicContact CE2-CB 4.31Å; Y139-A154 HydrophobicContact CD2-CB 4.39Å; Y139-R155 HydrophobicContact CD2-CB 4.05Å; Y139-R155 HydrophobicContact CE2-CB 3.82Å; Y139-R155 HydrophobicContact CE2-CG 4.31Å; Y139-I158 HydrophobicContact CD1-CD1 4.26Å; Y139-I158 HydrophobicContact CG-CD1 4.04Å; Y139-E178 HydrophobicContact CE1-CB 4.06Å; Y139-E178 PolarHBondContact OH-O 2.82Å; Y139-A181 WeakPolarHBondContact OH-CB 3.45Å; Y139-I182 HydrophobicContact CD1-CD1 4.13Å; Y139-I182 HydrophobicContact CE1-CD1 3.75Å; Y139-I182 HydrophobicContact CE1-CG1 4.04Å
140R95.3Very high94Very high67 Ų6754.8 Ų54.825%0.25328%0.28SS..Hα-helixtrans-61.2-39.9176.5-70.2-174.4-175.9130.88.8112.3L136 A137 L143 M144 D170 D173 L174 E178L136-R140 WeakPolarHBondContact O-CG 3.19Å; L136-R140 PolarHBondContact O-N 3.27Å; A137-R140 PolarHBondContact O-N 3.27Å; R140-L143 PolarHBondContact O-N 3.39Å; R140-M144 WeakPolarHBondContact O-CB 3.29Å; R140-M144 PolarHBondContact O-N 3.28Å; R140-D170 PolarHBondContact NH2-O 2.85Å; R140-D170 VanDerWaalsContact NH2-O 3.09Å; R140-D173 PolarHBondContact NH2-O 2.8Å; R140-L174 VanDerWaalsContact NH2-CA 3.32Å; R140-L174 VanDerWaalsContact NH2-CD2 3.34Å; R140-E178 IonicContact NE-OE1 3.17Å; R140-E178 IonicContact NE-OE2 2.8Å; R140-E178 PolarHBondContact NE-OE2 2.93Å; R140-E178 VanDerWaalsContact NE-OE2 3.16Å
141L94.3Very high94.1Very high13 Ų1354 Ų547%0.06828%0.277CS..Hα-helixtrans-62-43.4176-176.962000111.6Q104 F107 V108 L126 A137 I138 Y139 L143 M144 L145Q104-L141 HydrophobicContact CB-CD2 4.27Å; Q104-L141 HydrophobicContact CG-CD2 4.01Å; F107-L141 HydrophobicContact CD1-CD2 3.97Å; F107-L141 HydrophobicContact CD1-CG 4.14Å; F107-L141 HydrophobicContact CE1-CD2 4.5Å; F107-L141 HydrophobicContact CE1-CG 4.34Å; V108-L141 HydrophobicContact CG2-CD1 4.12Å; L126-L141 HydrophobicContact CD1-CD2 4.12Å; A137-L141 WeakPolarHBondContact O-CB 3.38Å; A137-L141 PolarHBondContact O-N 3.41Å; I138-L141 PolarHBondContact O-N 2.86Å; Y139-L141 VanDerWaalsContact C-N 3.32Å; Y139-L141 PolarHBondContact O-N 3.08Å; L141-L143 VanDerWaalsContact C-N 3.35Å; L141-L143 PolarHBondContact O-N 2.9Å; L141-M144 PolarHBondContact O-N 3.13Å; L141-L145 HydrophobicContact CD1-CD1 3.63Å; L141-L145 HydrophobicContact CD1-CG 4.15Å; L141-L145 HydrophobicContact CG-CD1 4.03Å; L141-L145 WeakPolarHBondContact O-CB 3.1Å; L141-L145 WeakPolarHBondContact O-CG 3.25Å; L141-L145 PolarHBondContact O-N 3.02Å
142G95.6Very high94.3Very high0 Ų055.6 Ų55.60%028%0.281CS..Hα-helixtrans-60.1-42.4174.300000112.6I138 Y139 N146 C147I138-G142 PolarHBondContact O-N 2.88Å; Y139-G142 PolarHBondContact O-N 3.03Å; G142-N146 PolarHBondContact O-N 3.34Å; G142-C147 PolarHBondContact O-N 3.42Å
143L94.6Very high94.5Very high73 Ų7351.7 Ų51.738%0.38227%0.269SS..Hα-helixtrans-66.6-46.6175.2-66178.2000112.2Y139 R140 L141 L145 N146 A151 E178Y139-L143 HydrophobicContact CD1-CD1 4.34Å; Y139-L143 HydrophobicContact CE1-CD1 3.78Å; Y139-L143 HydrophobicContact CE2-CD1 4.05Å; Y139-L143 HydrophobicContact CE2-CD2 4.26Å; Y139-L143 HydrophobicContact CE2-CG 4.12Å; Y139-L143 WeakPolarHBondContact O-CG 3.05Å; Y139-L143 PolarHBondContact O-N 3.22Å; R140-L143 PolarHBondContact O-N 3.39Å; L141-L143 VanDerWaalsContact C-N 3.35Å; L141-L143 PolarHBondContact O-N 2.9Å; L143-L145 VanDerWaalsContact C-N 3.3Å; L143-L145 PolarHBondContact O-N 3Å; L143-N146 PolarHBondContact O-N 2.91Å; L143-N146 VanDerWaalsContact O-N 3.11Å; L143-A151 HydrophobicContact CD2-CB 3.94Å; L143-A151 HydrophobicContact CG-CB 4.28Å; L143-E178 HydrophobicContact CD1-CB 4.49Å; L143-E178 HydrophobicContact CD1-CG 3.86Å
144M92.9Very high94.8Very high144 Ų14442.6 Ų42.671%0.70923%0.23SC*.Hα-helixtrans-58.3-41.7-179.6-176.9-160.8-65.100112R140 L141 N146R140-M144 WeakPolarHBondContact O-CB 3.29Å; R140-M144 PolarHBondContact O-N 3.28Å; L141-M144 PolarHBondContact O-N 3.13Å; M144-N146 VanDerWaalsContact C-N 3.31Å
145L92.8Very high95Very high19 Ų1944.1 Ų44.110%0.09923%0.231CC..THydrogen-bonded Turntrans-906.2-178.8-61.5175.3000113.1F107 V108 N111 L141 L143 C147F107-L145 HydrophobicContact CD1-CD1 3.3Å; F107-L145 HydrophobicContact CE1-CD1 3.29Å; F107-L145 HydrophobicContact CE1-CG 4.5Å; F107-L145 HydrophobicContact CG-CD1 4.08Å; F107-L145 HydrophobicContact CZ-CD1 4.06Å; V108-L145 HydrophobicContact CG2-CD1 4.09Å; V108-L145 HydrophobicContact CG2-CD2 4.24Å; N111-L145 HydrophobicContact CB-CD2 4.33Å; L141-L145 HydrophobicContact CD1-CD1 3.63Å; L141-L145 HydrophobicContact CD1-CG 4.15Å; L141-L145 HydrophobicContact CG-CD1 4.03Å; L141-L145 WeakPolarHBondContact O-CB 3.1Å; L141-L145 WeakPolarHBondContact O-CG 3.25Å; L141-L145 PolarHBondContact O-N 3.02Å; L143-L145 VanDerWaalsContact C-N 3.3Å; L143-L145 PolarHBondContact O-N 3Å; L145-C147 PolarHBondContact O-N 3.05Å
146N93.3Very high94.9Very high146 Ų14647.2 Ų47.278%0.78125%0.247SC*.THydrogen-bonded Turntrans5431-175.3-162.631.8000113.4G142 L143 M144 A148G142-N146 PolarHBondContact O-N 3.34Å; L143-N146 PolarHBondContact O-N 2.91Å; L143-N146 VanDerWaalsContact O-N 3.11Å; M144-N146 VanDerWaalsContact C-N 3.31Å; N146-A148 PolarHBondContact O-N 3.42Å
147C94.9Very high94.9Very high10 Ų1048.9 Ų48.97%0.06825%0.254CS..  trans-89.382176-1720000109.6F107 F119 G142 L145 R149 L150 A151F107-C147 HydrophobicContact CZ-CB 4.11Å; F119-C147 HydrophobicContact CZ-CB 4.15Å; G142-C147 PolarHBondContact O-N 3.42Å; L145-C147 PolarHBondContact O-N 3.05Å; C147-R149 PolarHBondContact O-N 3.06Å; C147-L150 HydrophobicContact CB-CB 4.11Å; C147-L150 PolarHBondContact O-N 3.33Å; C147-L150 VanDerWaalsContact O-N 3.09Å; C147-L150 VanDerWaalsContact SG-CB 3.55Å; C147-A151 PolarHBondContact O-N 2.77Å
148A93.4Very high95Very high62 Ų6246.7 Ų46.751%0.51224%0.235SC..Hα-helixtrans-53.6-41-178.300000112.6N146 L150 A151 M152N146-A148 PolarHBondContact O-N 3.42Å; A148-L150 PolarHBondContact O-N 3.48Å; A148-A151 PolarHBondContact O-N 2.88Å; A148-M152 VanDerWaalsContact O-CB 3.28Å; A148-M152 WeakPolarHBondContact O-CB 3.32Å; A148-M152 WeakPolarHBondContact O-CG 3.16Å; A148-M152 PolarHBondContact O-N 3.21Å
149R94.6Very high94.9Very high132 Ų13246.5 Ų46.550%0.49823%0.234SC..Hα-helixtrans-59.5-43.4178.2177.4179.3160.3-168.5-7.9112.7N124 Q127 C147 A153N124-R149 PolarHBondContact OD1-NH2 3.39Å; Q127-R149 PolarHBondContact NE2-O 2.87Å; C147-R149 PolarHBondContact O-N 3.06Å; R149-A153 WeakPolarHBondContact O-CB 3.26Å; R149-A153 PolarHBondContact O-N 2.7Å
150L96Very high94.7Very high0 Ų047.8 Ų47.80%024%0.242CC..Hα-helixtrans-72.4-44.8178.8-177.563.5000110.9F107 V123 L126 Q127 I138 C147 A148 M152 A153 A154F107-L150 HydrophobicContact CD1-CD2 4.45Å; F107-L150 HydrophobicContact CE1-CD2 3.59Å; F107-L150 HydrophobicContact CZ-CD2 4.06Å; V123-L150 HydrophobicContact CG1-CB 4.46Å; L126-L150 HydrophobicContact CB-CD1 3.81Å; L126-L150 HydrophobicContact CB-CD2 4.48Å; L126-L150 HydrophobicContact CD1-CD2 3.84Å; Q127-L150 HydrophobicContact CG-CD1 3.89Å; I138-L150 HydrophobicContact CG2-CD1 3.63Å; I138-L150 HydrophobicContact CG2-CD2 4.15Å; I138-L150 HydrophobicContact CG2-CG 3.88Å; C147-L150 HydrophobicContact CB-CB 4.11Å; C147-L150 PolarHBondContact O-N 3.33Å; C147-L150 VanDerWaalsContact O-N 3.09Å; C147-L150 VanDerWaalsContact SG-CB 3.55Å; A148-L150 PolarHBondContact O-N 3.48Å; L150-M152 VanDerWaalsContact C-N 3.35Å; L150-M152 PolarHBondContact O-N 2.77Å; L150-A153 PolarHBondContact O-N 2.89Å; L150-A154 WeakPolarHBondContact O-CB 3.34Å; L150-A154 PolarHBondContact O-N 2.88Å
151A95.9Very high94.6Very high7 Ų747 Ų476%0.05824%0.239CC..Hα-helixtrans-60.8-42.8178.200000111.8Y139 L143 C147 A148 A154 R155Y139-A151 HydrophobicContact CD2-CB 4.28Å; Y139-A151 VanDerWaalsContact CD2-O 3.29Å; Y139-A151 WeakPolarHBondContact CD2-O 3.25Å; Y139-A151 HydrophobicContact CE2-CB 4.31Å; L143-A151 HydrophobicContact CD2-CB 3.94Å; L143-A151 HydrophobicContact CG-CB 4.28Å; C147-A151 PolarHBondContact O-N 2.77Å; A148-A151 PolarHBondContact O-N 2.88Å; A151-A154 PolarHBondContact O-N 2.77Å; A151-R155 WeakPolarHBondContact O-CB 3.44Å; A151-R155 PolarHBondContact O-N 2.87Å
152M94.6Very high94.6Very high101 Ų10146.4 Ų46.450%0.49824%0.235SC..Hα-helixtrans-62.7-49.7175.6-73.4173.965.200111.4A148 L150 A154 R155 D156A148-M152 VanDerWaalsContact O-CB 3.28Å; A148-M152 WeakPolarHBondContact O-CB 3.32Å; A148-M152 WeakPolarHBondContact O-CG 3.16Å; A148-M152 PolarHBondContact O-N 3.21Å; L150-M152 VanDerWaalsContact C-N 3.35Å; L150-M152 PolarHBondContact O-N 2.77Å; M152-A154 VanDerWaalsContact C-N 3.32Å; M152-A154 PolarHBondContact O-N 2.69Å; M152-R155 PolarHBondContact O-N 2.96Å; M152-R155 VanDerWaalsContact O-N 3.11Å; M152-D156 WeakPolarHBondContact O-CB 3.23Å; M152-D156 PolarHBondContact O-N 2.83Å
153A95.4Very high94.4Very high26 Ų2650.1 Ų50.122%0.21525%0.253CS..Hα-helixtrans-59.1-42.5178.600000112.6Q127 R149 L150 Y157Q127-A153 HydrophobicContact CG-CB 4.04Å; R149-A153 WeakPolarHBondContact O-CB 3.26Å; R149-A153 PolarHBondContact O-N 2.7Å; L150-A153 PolarHBondContact O-N 2.89Å; A153-Y157 WeakPolarHBondContact O-CB 3.37Å; A153-Y157 PolarHBondContact O-N 3.06Å
154A96.9Very high94.2Very high0 Ų049.8 Ų49.80%025%0.254CS..Hα-helixtrans-67.2-40175.600000111.9L130 I138 Y139 L150 A151 M152 Y157 I158L130-A154 HydrophobicContact CD2-CB 3.97Å; I138-A154 HydrophobicContact CG2-CB 4.15Å; Y139-A154 HydrophobicContact CD2-CB 4.39Å; L150-A154 WeakPolarHBondContact O-CB 3.34Å; L150-A154 PolarHBondContact O-N 2.88Å; A151-A154 PolarHBondContact O-N 2.77Å; M152-A154 VanDerWaalsContact C-N 3.32Å; M152-A154 PolarHBondContact O-N 2.69Å; A154-Y157 WeakPolarHBondContact O-CB 3.19Å; A154-Y157 PolarHBondContact O-N 3.31Å; A154-I158 WeakPolarHBondContact O-CD1 3.31Å; A154-I158 WeakPolarHBondContact O-CG1 3.26Å; A154-I158 PolarHBondContact O-N 3.36Å
155R96.4Very high94.3Very high63 Ų6343 Ų4324%0.23822%0.22CC..Hα-helixtrans-64.7-41.6176.2-172.9-178.667.5155.1-4.1112.3Y139 A151 M152 Y157 I158 A159 A181 I182Y139-R155 HydrophobicContact CD2-CB 4.05Å; Y139-R155 HydrophobicContact CE2-CB 3.82Å; Y139-R155 HydrophobicContact CE2-CG 4.31Å; A151-R155 WeakPolarHBondContact O-CB 3.44Å; A151-R155 PolarHBondContact O-N 2.87Å; M152-R155 PolarHBondContact O-N 2.96Å; M152-R155 VanDerWaalsContact O-N 3.11Å; R155-Y157 VanDerWaalsContact C-N 3.33Å; R155-I158 CarbonylContact O-C 3.58Å; R155-I158 WeakPolarHBondContact O-CB 3.35Å; R155-I158 PolarHBondContact O-N 3.45Å; R155-A159 WeakPolarHBondContact O-CB 3.23Å; R155-A159 PolarHBondContact O-N 2.8Å; R155-A181 WeakPolarHBondContact CD-O 3.15Å; R155-A181 PolarHBondContact NH1-O 2.91Å; R155-A181 VanDerWaalsContact NH1-O 3.13Å; R155-I182 HydrophobicContact CG-CG1 4.19Å
156D94.1Very high94.5Very high65 Ų6542.5 Ų42.535%0.34822%0.219SC..Hα-helixtrans-66.7-40.2178.1-63.8-16.5000109.9M152 I158 A159 D160M152-D156 WeakPolarHBondContact O-CB 3.23Å; M152-D156 PolarHBondContact O-N 2.83Å; D156-I158 VanDerWaalsContact C-N 3.31Å; D156-I158 PolarHBondContact O-N 2.63Å; D156-A159 PolarHBondContact O-N 3.03Å; D156-D160 WeakPolarHBondContact O-CB 3Å; D156-D160 PolarHBondContact O-N 3.32Å
157Y95.1Very high94.5Very high42 Ų4242.2 Ų42.217%0.16521%0.211CC..Hα-helixtrans-58.5-41.6170.5-174.2-78.7000112.6L130 T131 K132 C135 A153 A154 R155 R161 I165L130-Y157 HydrophobicContact CB-CD2 3.77Å; L130-Y157 HydrophobicContact CB-CE2 3.96Å; L130-Y157 HydrophobicContact CB-CG 4.2Å; L130-Y157 HydrophobicContact CD1-CD2 4.34Å; L130-Y157 HydrophobicContact CD1-CG 4.42Å; L130-Y157 WeakPolarHBondContact O-CE2 3.42Å; T131-Y157 WeakPolarHBondContact CA-OH 3.4Å; K132-Y157 PolarHBondContact N-OH 3.46Å; C135-Y157 HydrophobicContact CB-CD1 3.61Å; C135-Y157 HydrophobicContact CB-CE1 3.96Å; A153-Y157 WeakPolarHBondContact O-CB 3.37Å; A153-Y157 PolarHBondContact O-N 3.06Å; A154-Y157 WeakPolarHBondContact O-CB 3.19Å; A154-Y157 PolarHBondContact O-N 3.31Å; R155-Y157 VanDerWaalsContact C-N 3.33Å; Y157-R161 PolarHBondContact O-N 2.91Å; Y157-I165 HydrophobicContact CD1-CD1 4.43Å; Y157-I165 HydrophobicContact CE1-CD1 4.47Å
158I96.3Very high94.4Very high0 Ų045 Ų450%023%0.225CC..Hα-helixtrans-66-44.6175.7-67156.4000110.5C135 L136 Y139 A154 R155 D156 D160 R161 F162 I165 I182C135-I158 HydrophobicContact CB-CG1 4.07Å; L136-I158 HydrophobicContact CD2-CD1 3.77Å; L136-I158 HydrophobicContact CD2-CG1 4.19Å; Y139-I158 HydrophobicContact CD1-CD1 4.26Å; Y139-I158 HydrophobicContact CG-CD1 4.04Å; A154-I158 WeakPolarHBondContact O-CD1 3.31Å; A154-I158 WeakPolarHBondContact O-CG1 3.26Å; A154-I158 PolarHBondContact O-N 3.36Å; R155-I158 CarbonylContact O-C 3.58Å; R155-I158 WeakPolarHBondContact O-CB 3.35Å; R155-I158 PolarHBondContact O-N 3.45Å; D156-I158 VanDerWaalsContact C-N 3.31Å; D156-I158 PolarHBondContact O-N 2.63Å; I158-D160 VanDerWaalsContact C-N 3.33Å; I158-D160 PolarHBondContact O-N 3.24Å; I158-R161 CarbonylContact O-C 3.57Å; I158-R161 VanDerWaalsContact O-C 3.31Å; I158-R161 PolarHBondContact O-N 3.42Å; I158-R161 VanDerWaalsContact O-N 3.15Å; I158-F162 VanDerWaalsContact O-CA 3.23Å; I158-F162 WeakPolarHBondContact O-CA 3.12Å; I158-F162 PolarHBondContact O-N 3.08Å; I158-I165 HydrophobicContact CB-CD1 4.3Å; I158-I165 HydrophobicContact CG1-CD1 4.23Å; I158-I165 HydrophobicContact CG2-CD1 4.37Å; I158-I165 HydrophobicContact CG2-CG2 4.18Å; I158-I182 HydrophobicContact CD1-CD1 4.29Å; I158-I182 HydrophobicContact CG2-CD1 4.27Å; I158-I182 HydrophobicContact CG2-CG1 4.47Å; I158-I182 HydrophobicContact CG2-CG2 3.81Å
159A94.7Very high94.4Very high0 Ų047.5 Ų47.50%023%0.226CC..Hα-helixtrans-61.3-41.9-179.300000111.7R155 D156 R161 F162 T185 L188 N189R155-A159 WeakPolarHBondContact O-CB 3.23Å; R155-A159 PolarHBondContact O-N 2.8Å; D156-A159 PolarHBondContact O-N 3.03Å; A159-R161 PolarHBondContact O-N 3.09Å; A159-F162 PolarHBondContact O-N 3.08Å; A159-T185 HydrophobicContact CB-CG2 4.06Å; A159-L188 HydrophobicContact CB-CD2 3.92Å; A159-N189 WeakPolarHBondContact O-CB 3.41Å; A159-N189 PolarHBondContact O-N 2.84Å
160D91.4Very high94.4Very high34 Ų3445.7 Ų45.718%0.18223%0.226CC..Hα-helixtrans-61.8-28.2176.8-82.514000113.5D156 I158 N189 L366 R594D156-D160 WeakPolarHBondContact O-CB 3Å; D156-D160 PolarHBondContact O-N 3.32Å; I158-D160 VanDerWaalsContact C-N 3.33Å; I158-D160 PolarHBondContact O-N 3.24Å; D160-N189 WeakPolarHBondContact O-CB 3.17Å; D160-N189 PolarHBondContact O-ND2 3.23Å; D160-L366 HydrophobicContact CB-CD1 4.23Å; D160-L366 HydrophobicContact CB-CD2 4.44Å; D160-R594 VanDerWaalsContact CG-NH2 3.25Å; D160-R594 IonicContact OD1-CZ 3.03Å; D160-R594 IonicContact OD1-NH1 2.69Å; D160-R594 IonicContact OD1-NH2 3.11Å; D160-R594 PolarHBondContact OD1-NH2 3.06Å; D160-R594 IonicContact OD2-CZ 3.03Å; D160-R594 IonicContact OD2-NH1 2.84Å; D160-R594 PolarHBondContact OD2-NH1 2.99Å; D160-R594 IonicContact OD2-NH2 3.62Å; D160-R594 PolarHBondContact OD2-NH2 3.47Å
161R92.5Very high94.4Very high51 Ų5145.7 Ų45.719%0.19223%0.226CC..THydrogen-bonded Turntrans-123.225.2-174.6-63.3176.2-173.178.50.7112.5Y157 I158 A159 E163 T164 I165 L366Y157-R161 PolarHBondContact O-N 2.91Å; I158-R161 CarbonylContact O-C 3.57Å; I158-R161 VanDerWaalsContact O-C 3.31Å; I158-R161 PolarHBondContact O-N 3.42Å; I158-R161 VanDerWaalsContact O-N 3.15Å; A159-R161 PolarHBondContact O-N 3.09Å; R161-E163 PolarHBondContact O-N 3.41Å; R161-T164 PolarHBondContact O-N 3.15Å; R161-I165 HydrophobicContact CB-CD1 3.74Å; R161-I165 HydrophobicContact CB-CG1 4.3Å; R161-I165 PolarHBondContact O-N 2.86Å; R161-L366 HydrophobicContact CG-CD1 3.89Å
162F95Very high94.3Very high0 Ų045.6 Ų45.60%023%0.225CC..Hα-helixtrans-56.8-44.3-168.6179.3-93.7000112.9I158 A159 T164 I165 S166 F171 I182 I183 L188 V190 V196 A199I158-F162 VanDerWaalsContact O-CA 3.23Å; I158-F162 WeakPolarHBondContact O-CA 3.12Å; I158-F162 PolarHBondContact O-N 3.08Å; A159-F162 PolarHBondContact O-N 3.08Å; F162-T164 PolarHBondContact O-N 2.85Å; F162-T164 VanDerWaalsContact O-N 3.14Å; F162-I165 PolarHBondContact O-N 3.45Å; F162-S166 WeakPolarHBondContact O-CB 3.07Å; F162-S166 PolarHBondContact O-N 2.8Å; F162-S166 PolarHBondContact O-OG 2.71Å; F162-F171 HydrophobicContact CE2-CE2 4.16Å; F162-F171 AromaticContact CE2-CZ 3.93Å; F162-F171 HydrophobicContact CE2-CZ 3.93Å; F162-F171 HydrophobicContact CZ-CZ 4.39Å; F162-I182 HydrophobicContact CD2-CG2 3.89Å; F162-I182 HydrophobicContact CE2-CG2 3.89Å; F162-I183 HydrophobicContact CE2-CG2 3.96Å; F162-I183 HydrophobicContact CZ-CG2 3.98Å; F162-L188 HydrophobicContact CB-CD2 4.04Å; F162-L188 HydrophobicContact CD2-CD2 3.69Å; F162-L188 HydrophobicContact CE2-CD2 4.35Å; F162-L188 HydrophobicContact CG-CD2 3.91Å; F162-V190 HydrophobicContact CB-CG1 4.25Å; F162-V190 HydrophobicContact CD1-CG1 3.38Å; F162-V190 HydrophobicContact CE1-CG1 4.07Å; F162-V190 HydrophobicContact CG-CG1 4.12Å; F162-V196 HydrophobicContact CE1-CG2 4.26Å; F162-A199 HydrophobicContact CE1-CB 4.14Å; F162-A199 HydrophobicContact CZ-CB 3.82Å
163E91Very high94.3Very high77 Ų7744.7 Ų44.736%0.3622%0.222SC..Hα-helixtrans-63.3-22-178.8-68.3-165-156.800114.3R161 K167 V190 E191R161-E163 PolarHBondContact O-N 3.41Å; E163-K167 VanDerWaalsContact O-CD 3.31Å; E163-K167 WeakPolarHBondContact O-CD 3.27Å; E163-K167 WeakPolarHBondContact O-CE 3.25Å; E163-K167 PolarHBondContact O-NZ 2.7Å; E163-V190 HydrophobicContact CG-CG1 4.17Å; E163-E191 PolarHBondContact OE1-N 3.4Å
164T91.6Very high94.3Very high67 Ų6743.5 Ų43.541%0.41121%0.212SC..Hα-helixtrans-88.9-52.2173.9-54.70000110.3K132 R161 F162 S166 K167K132-T164 HydrophobicContact CD-CG2 4.43Å; R161-T164 PolarHBondContact O-N 3.15Å; F162-T164 PolarHBondContact O-N 2.85Å; F162-T164 VanDerWaalsContact O-N 3.14Å; T164-S166 VanDerWaalsContact C-N 3.34Å; T164-S166 PolarHBondContact O-N 2.95Å; T164-K167 WeakPolarHBondContact O-CB 2.86Å; T164-K167 PolarHBondContact O-N 2.96Å; T164-K167 VanDerWaalsContact O-N 3.09Å
165I95.3Very high94.2Very high0 Ų045.4 Ų45.40%023%0.227CC..Hα-helixtrans-66-36.4-174.5-66.8164.3000111.6L136 Y157 I158 R161 F162 K167 D168 F171L136-I165 HydrophobicContact CD1-CG2 4.19Å; L136-I165 HydrophobicContact CD2-CG2 3.96Å; L136-I165 HydrophobicContact CG-CG2 4.13Å; Y157-I165 HydrophobicContact CD1-CD1 4.43Å; Y157-I165 HydrophobicContact CE1-CD1 4.47Å; I158-I165 HydrophobicContact CB-CD1 4.3Å; I158-I165 HydrophobicContact CG1-CD1 4.23Å; I158-I165 HydrophobicContact CG2-CD1 4.37Å; I158-I165 HydrophobicContact CG2-CG2 4.18Å; R161-I165 HydrophobicContact CB-CD1 3.74Å; R161-I165 HydrophobicContact CB-CG1 4.3Å; R161-I165 PolarHBondContact O-N 2.86Å; F162-I165 PolarHBondContact O-N 3.45Å; I165-K167 PolarHBondContact O-N 3.31Å; I165-K167 VanDerWaalsContact O-N 3.08Å; I165-D168 WeakPolarHBondContact O-CB 3.39Å; I165-D168 PolarHBondContact O-N 3.05Å; I165-F171 HydrophobicContact CG2-CD2 4.2Å; I165-F171 WeakPolarHBondContact O-CB 3.36Å
166S95.1Very high94.1Very high10 Ų1044.2 Ų44.27%0.0723%0.228CC..THydrogen-bonded Turntrans-62.9-15.7176.961.30000113.5F162 T164 R202F162-S166 WeakPolarHBondContact O-CB 3.07Å; F162-S166 PolarHBondContact O-N 2.8Å; F162-S166 PolarHBondContact O-OG 2.71Å; T164-S166 VanDerWaalsContact C-N 3.34Å; T164-S166 PolarHBondContact O-N 2.95Å; S166-R202 PolarHBondContact O-NH1 3.16Å
167K93.9Very high94.1Very high140 Ų14045.7 Ų45.761%0.60924%0.241SC*.THydrogen-bonded Turntrans-85.2-18.4175.8-67173.2-175.7156.60112.9E163 T164 I165 R202E163-K167 VanDerWaalsContact O-CD 3.31Å; E163-K167 WeakPolarHBondContact O-CD 3.27Å; E163-K167 WeakPolarHBondContact O-CE 3.25Å; E163-K167 PolarHBondContact O-NZ 2.7Å; T164-K167 WeakPolarHBondContact O-CB 2.86Å; T164-K167 PolarHBondContact O-N 2.96Å; T164-K167 VanDerWaalsContact O-N 3.09Å; I165-K167 PolarHBondContact O-N 3.31Å; I165-K167 VanDerWaalsContact O-N 3.08Å; K167-R202 VanDerWaalsContact C-NH1 3.27Å; K167-R202 PolarHBondContact O-NH1 3.11Å; K167-R202 PolarHBondContact O-NH2 3.09Å
168D93.9Very high94.1Very high68 Ų6845.4 Ų45.436%0.36424%0.241SC..SBendtrans-72.8154.3-179.4-65.4-31.5000112.2I165 F171 R202I165-D168 WeakPolarHBondContact O-CB 3.39Å; I165-D168 PolarHBondContact O-N 3.05Å; D168-F171 WeakPolarHBondContact O-CB 3.34Å; D168-R202 PolarHBondContact O-NH2 3.3Å
169E93Very high94.1Very high114 Ų11445.4 Ų45.453%0.53324%0.241SC..THydrogen-bonded Turntrans-71.8-34.5-179.1-76.1-60.412500112.6F171 L172 R202E169-F171 PolarHBondContact O-N 2.95Å; E169-L172 WeakPolarHBondContact O-CA 3.47Å; E169-L172 WeakPolarHBondContact O-CB 3.45Å; E169-L172 PolarHBondContact O-N 3.4Å; E169-R202 IonicContact OE1-CZ 3.21Å; E169-R202 IonicContact OE1-NH2 2.58Å; E169-R202 PolarHBondContact OE1-NH2 3.05Å
170D93.6Very high94.1Very high94 Ų9445.6 Ų45.650%0.50324%0.242SC..G310 helixtrans-62.1-28.2178.3-64.4-14.9000112.4L136 R140 L172 D173L136-D170 HydrophobicContact CD1-CB 3.79Å; R140-D170 PolarHBondContact NH2-O 2.85Å; R140-D170 VanDerWaalsContact NH2-O 3.09Å; D170-L172 PolarHBondContact O-N 3.03Å; D170-D173 PolarHBondContact O-N 3.4Å
171F96Very high94.2Very high0 Ų045.6 Ų45.60%025%0.247CC..G310 helixtrans-63.3-34.8173.4-175.6-91.9000111L136 F162 I165 D168 E169 D173 L174 I179 I182 A199L136-F171 HydrophobicContact CD1-CB 4.1Å; L136-F171 HydrophobicContact CD2-CD2 4.29Å; F162-F171 HydrophobicContact CE2-CE2 4.16Å; F162-F171 AromaticContact CE2-CZ 3.93Å; F162-F171 HydrophobicContact CE2-CZ 3.93Å; F162-F171 HydrophobicContact CZ-CZ 4.39Å; I165-F171 HydrophobicContact CG2-CD2 4.2Å; I165-F171 WeakPolarHBondContact O-CB 3.36Å; D168-F171 WeakPolarHBondContact O-CB 3.34Å; E169-F171 PolarHBondContact O-N 2.95Å; F171-D173 PolarHBondContact O-N 3.14Å; F171-L174 HydrophobicContact CD2-CD1 3.61Å; F171-L174 HydrophobicContact CE2-CD1 3.71Å; F171-L174 HydrophobicContact CG-CD1 4.06Å; F171-L174 HydrophobicContact CZ-CD1 4.24Å; F171-L174 WeakPolarHBondContact O-CB 3.33Å; F171-L174 WeakPolarHBondContact O-CD1 3.28Å; F171-L174 VanDerWaalsContact O-CG 3.26Å; F171-L174 WeakPolarHBondContact O-CG 3.48Å; F171-L174 PolarHBondContact O-N 3.01Å; F171-I179 HydrophobicContact CE1-CD1 3.64Å; F171-I179 HydrophobicContact CE1-CG1 4.28Å; F171-I179 HydrophobicContact CZ-CD1 3.86Å; F171-I179 HydrophobicContact CZ-CG1 3.97Å; F171-I182 HydrophobicContact CE2-CG2 4.49Å; F171-A199 HydrophobicContact CE1-CB 4.43Å
172L95Very high94.4Very high6 Ų643.1 Ų43.13%0.03124%0.238CC..G310 helixtrans-72.3-12.3179.6-51.7-179.4000112.9E169 D170 R202 W203 K206 R211E169-L172 WeakPolarHBondContact O-CA 3.47Å; E169-L172 WeakPolarHBondContact O-CB 3.45Å; E169-L172 PolarHBondContact O-N 3.4Å; D170-L172 PolarHBondContact O-N 3.03Å; L172-R202 HydrophobicContact CD1-CG 4.35Å; L172-R202 HydrophobicContact CD2-CB 4.4Å; L172-R202 HydrophobicContact CD2-CG 3.81Å; L172-W203 HydrophobicContact CD2-CB 4.21Å; L172-K206 HydrophobicContact CB-CD 3.28Å; L172-K206 HydrophobicContact CD1-CD 3.88Å; L172-K206 HydrophobicContact CG-CD 4.24Å; L172-R211 VanDerWaalsContact O-CZ 3.25Å; L172-R211 PolarHBondContact O-NH1 3.19Å; L172-R211 PolarHBondContact O-NH2 2.96Å
173D94.1Very high94.4Very high82 Ų8243.1 Ų43.144%0.43924%0.238SC..G310 helixtrans-88.5-1.8177.1-64.6-38.2000113.5R140 D170 F171 K206R140-D173 PolarHBondContact NH2-O 2.8Å; D170-D173 PolarHBondContact O-N 3.4Å; F171-D173 PolarHBondContact O-N 3.14Å; D173-K206 VanDerWaalsContact CG-NZ 3.31Å; D173-K206 WeakPolarHBondContact OD1-CE 3.37Å; D173-K206 IonicContact OD1-NZ 2.89Å; D173-K206 PolarHBondContact OD1-NZ 2.71Å; D173-K206 IonicContact OD2-NZ 3.98Å; D173-K206 PolarHBondContact OD2-NZ 3.19Å
174L95.3Very high94.5Very high0 Ų040.7 Ų40.70%023%0.233CC..  trans-61.1141.8177.5-67.6168.5000111.2L136 R140 F171 E178 I179 I182 W203L136-L174 HydrophobicContact CD2-CD1 4.3Å; L136-L174 HydrophobicContact CD2-CD2 4.38Å; R140-L174 VanDerWaalsContact NH2-CA 3.32Å; R140-L174 VanDerWaalsContact NH2-CD2 3.34Å; F171-L174 HydrophobicContact CD2-CD1 3.61Å; F171-L174 HydrophobicContact CE2-CD1 3.71Å; F171-L174 HydrophobicContact CG-CD1 4.06Å; F171-L174 HydrophobicContact CZ-CD1 4.24Å; F171-L174 WeakPolarHBondContact O-CB 3.33Å; F171-L174 WeakPolarHBondContact O-CD1 3.28Å; F171-L174 VanDerWaalsContact O-CG 3.26Å; F171-L174 WeakPolarHBondContact O-CG 3.48Å; F171-L174 PolarHBondContact O-N 3.01Å; L174-E178 VanDerWaalsContact CA-OE2 3.26Å; L174-E178 WeakPolarHBondContact CA-OE2 3.34Å; L174-E178 HydrophobicContact CB-CB 4.18Å; L174-E178 HydrophobicContact CD2-CB 3.98Å; L174-E178 WeakPolarHBondContact CD2-OE2 3.42Å; L174-I179 HydrophobicContact CB-CB 4.19Å; L174-I179 HydrophobicContact CD1-CB 4.35Å; L174-I182 HydrophobicContact CD1-CD1 3.76Å; L174-W203 WeakPolarHBondContact O-CZ2 3.18Å; L174-W203 PolarHBondContact O-NE1 3.37Å
175A94.3Very high94.5Very high40 Ų4038.5 Ų38.533%0.33122%0.22SC..  trans-73.6158.6170.600000110.6E178 I179A175-E178 HydrophobicContact CB-CG 4.03Å; A175-E178 PolarHBondContact N-OE2 2.77Å; A175-E178 WeakPolarHBondContact O-CB 3.26Å; A175-E178 PolarHBondContact O-N 2.81Å; A175-I179 PolarHBondContact O-N 2.78Å; A175-I179 VanDerWaalsContact O-N 3.1Å
176P94.9Very high94.3Very high39 Ų3942.7 Ų42.725%0.25324%0.242SC..Hα-helixtrans-51.8-46.9-178.2-18.224.2000114.1E178 I179 F180 W203P176-E178 VanDerWaalsContact C-N 3.3Å; P176-E178 PolarHBondContact O-N 2.76Å; P176-I179 VanDerWaalsContact O-CG2 3.28Å; P176-I179 WeakPolarHBondContact O-CG2 3.48Å; P176-I179 PolarHBondContact O-N 2.94Å; P176-F180 HydrophobicContact CB-CE2 3.91Å; P176-F180 HydrophobicContact CB-CZ 4Å; P176-F180 WeakPolarHBondContact O-CB 3.37Å; P176-F180 WeakPolarHBondContact O-CD1 3.26Å; P176-F180 VanDerWaalsContact O-CD2 3.25Å; P176-F180 WeakPolarHBondContact O-CD2 3.5Å; P176-F180 WeakPolarHBondContact O-CG 3.39Å; P176-F180 PolarHBondContact O-N 2.81Å; P176-W203 HydrophobicContact CB-CH2 3.93Å; P176-W203 HydrophobicContact CB-CZ2 4.39Å; P176-W203 HydrophobicContact CG-CH2 3.86Å; P176-W203 HydrophobicContact CG-CZ2 4.15Å
177P93.7Very high94.1Very high96 Ų9643.8 Ų43.862%0.62325%0.252SS*.Hα-helixtrans-63.5-34.4178.3-22.234.6000113.5A181P177-A181 WeakPolarHBondContact O-CB 3.46Å; P177-A181 PolarHBondContact O-N 3.3Å; P177-A181 VanDerWaalsContact O-N 3.11Å
178E95.2Very high94.1Very high35 Ų3537.1 Ų37.116%0.16422%0.223CC..Hα-helixtrans-67.1-48.7-179.3-58.5176.216600110.9Y139 R140 L143 L174 A175 P176 I182Y139-E178 HydrophobicContact CE1-CB 4.06Å; Y139-E178 PolarHBondContact OH-O 2.82Å; R140-E178 IonicContact NE-OE1 3.17Å; R140-E178 IonicContact NE-OE2 2.8Å; R140-E178 PolarHBondContact NE-OE2 2.93Å; R140-E178 VanDerWaalsContact NE-OE2 3.16Å; L143-E178 HydrophobicContact CD1-CB 4.49Å; L143-E178 HydrophobicContact CD1-CG 3.86Å; L174-E178 VanDerWaalsContact CA-OE2 3.26Å; L174-E178 WeakPolarHBondContact CA-OE2 3.34Å; L174-E178 HydrophobicContact CB-CB 4.18Å; L174-E178 HydrophobicContact CD2-CB 3.98Å; L174-E178 WeakPolarHBondContact CD2-OE2 3.42Å; A175-E178 HydrophobicContact CB-CG 4.03Å; A175-E178 PolarHBondContact N-OE2 2.77Å; A175-E178 WeakPolarHBondContact O-CB 3.26Å; A175-E178 PolarHBondContact O-N 2.81Å; P176-E178 VanDerWaalsContact C-N 3.3Å; P176-E178 PolarHBondContact O-N 2.76Å; E178-I182 WeakPolarHBondContact O-CG1 3.4Å; E178-I182 PolarHBondContact O-N 2.73Å
179I95.8Very high94Very high0 Ų035.9 Ų35.90%022%0.216CC..Hα-helixtrans-68.8-40179.2-171.2169.7000111.2F171 L174 A175 P176 A181 I182 I183 W203F171-I179 HydrophobicContact CE1-CD1 3.64Å; F171-I179 HydrophobicContact CE1-CG1 4.28Å; F171-I179 HydrophobicContact CZ-CD1 3.86Å; F171-I179 HydrophobicContact CZ-CG1 3.97Å; L174-I179 HydrophobicContact CB-CB 4.19Å; L174-I179 HydrophobicContact CD1-CB 4.35Å; A175-I179 PolarHBondContact O-N 2.78Å; A175-I179 VanDerWaalsContact O-N 3.1Å; P176-I179 VanDerWaalsContact O-CG2 3.28Å; P176-I179 WeakPolarHBondContact O-CG2 3.48Å; P176-I179 PolarHBondContact O-N 2.94Å; I179-A181 VanDerWaalsContact C-N 3.33Å; I179-A181 PolarHBondContact O-N 2.83Å; I179-I182 CarbonylContact O-C 3.58Å; I179-I182 WeakPolarHBondContact O-CB 3.27Å; I179-I182 PolarHBondContact O-N 3.08Å; I179-I183 HydrophobicContact CG1-CG2 4.05Å; I179-I183 WeakPolarHBondContact O-CG1 2.95Å; I179-I183 PolarHBondContact O-N 2.73Å; I179-W203 HydrophobicContact CD1-CB 3.71Å; I179-W203 HydrophobicContact CD1-CD2 3.83Å; I179-W203 HydrophobicContact CD1-CE3 4.34Å; I179-W203 HydrophobicContact CD1-CG 3.49Å; I179-W203 VanDerWaalsContact CD1-CG 3.49Å; I179-W203 HydrophobicContact CG2-CD2 4.18Å; I179-W203 HydrophobicContact CG2-CE3 4.35Å; I179-W203 HydrophobicContact CG2-CH2 4.16Å; I179-W203 HydrophobicContact CG2-CZ2 3.93Å; I179-W203 HydrophobicContact CG2-CZ3 4.36Å
180F95.4Very high94Very high4 Ų430.5 Ų30.52%0.01819%0.191CC..Hα-helixtrans-61.6-40.7178.9-63.7-12.1000112.2P176 I182 I183 G184 L200 E217 A218 Y221P176-F180 HydrophobicContact CB-CE2 3.91Å; P176-F180 HydrophobicContact CB-CZ 4Å; P176-F180 WeakPolarHBondContact O-CB 3.37Å; P176-F180 WeakPolarHBondContact O-CD1 3.26Å; P176-F180 VanDerWaalsContact O-CD2 3.25Å; P176-F180 WeakPolarHBondContact O-CD2 3.5Å; P176-F180 WeakPolarHBondContact O-CG 3.39Å; P176-F180 PolarHBondContact O-N 2.81Å; F180-I182 VanDerWaalsContact C-N 3.26Å; F180-I182 PolarHBondContact O-N 2.67Å; F180-I183 HydrophobicContact CD1-CD1 4.27Å; F180-I183 PolarHBondContact O-N 3.46Å; F180-G184 WeakPolarHBondContact O-CA 3.35Å; F180-G184 PolarHBondContact O-N 3.05Å; F180-L200 HydrophobicContact CE1-CD1 4.4Å; F180-E217 HydrophobicContact CD2-CG 4.15Å; F180-E217 HydrophobicContact CE2-CB 4.11Å; F180-E217 HydrophobicContact CE2-CG 3.79Å; F180-A218 HydrophobicContact CD1-CB 4.27Å; F180-A218 HydrophobicContact CE1-CB 3.4Å; F180-A218 HydrophobicContact CZ-CB 3.69Å; F180-Y221 HydrophobicContact CB-CD2 3.86Å; F180-Y221 HydrophobicContact CB-CE1 4.35Å; F180-Y221 HydrophobicContact CB-CE2 3.65Å; F180-Y221 HydrophobicContact CB-CG 4.3Å; F180-Y221 HydrophobicContact CD1-CD2 4.23Å; F180-Y221 HydrophobicContact CD2-CD2 4.32Å; F180-Y221 AromaticContact CD2-CE2 3.81Å; F180-Y221 HydrophobicContact CD2-CE2 3.81Å; F180-Y221 AromaticContact CG-CD2 3.88Å; F180-Y221 HydrophobicContact CG-CD2 3.88Å; F180-Y221 AromaticContact CG-CE2 3.74Å; F180-Y221 HydrophobicContact CG-CE2 3.74Å
181A94.1Very high93.8Very high34 Ų3429.7 Ų29.728%0.28118%0.184SC..Hα-helixtrans-63.2-31.5174.800000113.1Y139 R155 P177 I179Y139-A181 WeakPolarHBondContact OH-CB 3.45Å; R155-A181 WeakPolarHBondContact CD-O 3.15Å; R155-A181 PolarHBondContact NH1-O 2.91Å; R155-A181 VanDerWaalsContact NH1-O 3.13Å; P177-A181 WeakPolarHBondContact O-CB 3.46Å; P177-A181 PolarHBondContact O-N 3.3Å; P177-A181 VanDerWaalsContact O-N 3.11Å; I179-A181 VanDerWaalsContact C-N 3.33Å; I179-A181 PolarHBondContact O-N 2.83Å
182I96.1Very high93.7Very high0 Ų035.6 Ų35.60%021%0.21CC..Hα-helixtrans-76.7-54.6174.7-65162.6000110.5Y139 R155 I158 F162 F171 L174 E178 I179 F180 G184 T185 L188Y139-I182 HydrophobicContact CD1-CD1 4.13Å; Y139-I182 HydrophobicContact CE1-CD1 3.75Å; Y139-I182 HydrophobicContact CE1-CG1 4.04Å; R155-I182 HydrophobicContact CG-CG1 4.19Å; I158-I182 HydrophobicContact CD1-CD1 4.29Å; I158-I182 HydrophobicContact CG2-CD1 4.27Å; I158-I182 HydrophobicContact CG2-CG1 4.47Å; I158-I182 HydrophobicContact CG2-CG2 3.81Å; F162-I182 HydrophobicContact CD2-CG2 3.89Å; F162-I182 HydrophobicContact CE2-CG2 3.89Å; F171-I182 HydrophobicContact CE2-CG2 4.49Å; L174-I182 HydrophobicContact CD1-CD1 3.76Å; E178-I182 WeakPolarHBondContact O-CG1 3.4Å; E178-I182 PolarHBondContact O-N 2.73Å; I179-I182 CarbonylContact O-C 3.58Å; I179-I182 WeakPolarHBondContact O-CB 3.27Å; I179-I182 PolarHBondContact O-N 3.08Å; F180-I182 VanDerWaalsContact C-N 3.26Å; F180-I182 PolarHBondContact O-N 2.67Å; I182-G184 VanDerWaalsContact C-N 3.25Å; I182-G184 PolarHBondContact O-N 3.03Å; I182-T185 WeakPolarHBondContact O-CG2 2.94Å; I182-T185 PolarHBondContact O-N 3.41Å; I182-L188 HydrophobicContact CG2-CD2 4.39Å; I182-L188 WeakPolarHBondContact O-CD2 3.45Å
183I96Very high93.8Very high0 Ų035.3 Ų35.30%021%0.208CC..Hα-helixtrans-71.9-20.6-174.765.5169.2000113.1F162 I179 F180 L188 V196 L200 I222 R289F162-I183 HydrophobicContact CE2-CG2 3.96Å; F162-I183 HydrophobicContact CZ-CG2 3.98Å; I179-I183 HydrophobicContact CG1-CG2 4.05Å; I179-I183 WeakPolarHBondContact O-CG1 2.95Å; I179-I183 PolarHBondContact O-N 2.73Å; F180-I183 HydrophobicContact CD1-CD1 4.27Å; F180-I183 PolarHBondContact O-N 3.46Å; I183-L188 WeakPolarHBondContact O-CD1 3.49Å; I183-V196 HydrophobicContact CB-CG1 3.7Å; I183-V196 HydrophobicContact CG2-CG1 3.93Å; I183-L200 HydrophobicContact CD1-CB 4.43Å; I183-L200 HydrophobicContact CD1-CD1 4.07Å; I183-L200 HydrophobicContact CD1-CD2 4.27Å; I183-L200 HydrophobicContact CD1-CG 4.48Å; I183-I222 HydrophobicContact CD1-CD1 4.08Å; I183-R289 VanDerWaalsContact O-CZ 3.22Å; I183-R289 PolarHBondContact O-NH1 2.93Å; I183-R289 PolarHBondContact O-NH2 2.85Å
184G92.8Very high93.9Very high25 Ų2532.7 Ų32.726%0.25819%0.193SC..THydrogen-bonded Turntrans-75.3-22.8179.700000115F180 I182F180-G184 WeakPolarHBondContact O-CA 3.35Å; F180-G184 PolarHBondContact O-N 3.05Å; I182-G184 VanDerWaalsContact C-N 3.25Å; I182-G184 PolarHBondContact O-N 3.03Å
185T91.6Very high93.9Very high22 Ų2234 Ų3414%0.13520%0.204CC..  trans-71.2140.7-169.2-169.20000113.3A159 I182 A187 L188 R289A159-T185 HydrophobicContact CB-CG2 4.06Å; I182-T185 WeakPolarHBondContact O-CG2 2.94Å; I182-T185 PolarHBondContact O-N 3.41Å; T185-A187 HydrophobicContact CG2-CB 4.23Å; T185-A187 PolarHBondContact O-N 2.77Å; T185-A187 PolarHBondContact OG1-N 3.32Å; T185-L188 HydrophobicContact CG2-CB 4.47Å; T185-L188 HydrophobicContact CG2-CD2 3.91Å; T185-L188 HydrophobicContact CG2-CG 3.68Å; T185-R289 PolarHBondContact O-NH1 2.84Å
186D91.1Very high94Very high88 Ų8832 Ų3247%0.47119%0.188SC..THydrogen-bonded Turntrans-63.2-29.7169.6-73.6-46.4000111.9L188 R223 Y290D186-L188 PolarHBondContact O-N 2.57Å; D186-L188 VanDerWaalsContact O-N 3.13Å; D186-R223 IonicContact OD1-CZ 3.85Å; D186-R223 IonicContact OD1-NH1 2.63Å; D186-R223 PolarHBondContact OD1-NH1 2.92Å; D186-R223 IonicContact OD1-NH2 3.45Å; D186-R223 PolarHBondContact OD1-NH2 2.82Å; D186-Y290 WeakPolarHBondContact O-CB 3.47Å; D186-Y290 PolarHBondContact O-N 2.88Å
187A90.1Very high94.1Very high33 Ų3330.4 Ų30.427%0.27318%0.177SC..THydrogen-bonded Turntrans-70.4-2.8-177.400000114.6T185 N189T185-A187 HydrophobicContact CG2-CB 4.23Å; T185-A187 PolarHBondContact O-N 2.77Å; T185-A187 PolarHBondContact OG1-N 3.32Å; A187-N189 PolarHBondContact O-N 3.32Å
188L93.4Very high94.3Very high0 Ų030.7 Ų30.70%017%0.17CC..  trans-58.2124.6179.5-79.1-175.2000111.3A159 F162 I182 I183 T185 D186 V190 V196 R289 Y290 G291A159-L188 HydrophobicContact CB-CD2 3.92Å; F162-L188 HydrophobicContact CB-CD2 4.04Å; F162-L188 HydrophobicContact CD2-CD2 3.69Å; F162-L188 HydrophobicContact CE2-CD2 4.35Å; F162-L188 HydrophobicContact CG-CD2 3.91Å; I182-L188 HydrophobicContact CG2-CD2 4.39Å; I182-L188 WeakPolarHBondContact O-CD2 3.45Å; I183-L188 WeakPolarHBondContact O-CD1 3.49Å; T185-L188 HydrophobicContact CG2-CB 4.47Å; T185-L188 HydrophobicContact CG2-CD2 3.91Å; T185-L188 HydrophobicContact CG2-CG 3.68Å; D186-L188 PolarHBondContact O-N 2.57Å; D186-L188 VanDerWaalsContact O-N 3.13Å; L188-V190 VanDerWaalsContact C-N 3.29Å; L188-V190 HydrophobicContact CB-CG2 4.15Å; L188-V190 PolarHBondContact O-N 3.39Å; L188-V190 VanDerWaalsContact O-N 3.08Å; L188-V196 HydrophobicContact CD1-CG1 4.37Å; L188-V196 HydrophobicContact CD1-CG2 4.06Å; L188-R289 VanDerWaalsContact CD1-NH1 3.32Å; L188-Y290 PolarHBondContact O-N 2.86Å; L188-G291 PolarHBondContact O-N 3.39Å
189N91.8Very high94.3Very high42 Ų4229.4 Ų29.423%0.22517%0.165CC..  trans-85.574.8173.3-168.632.1000110A159 D160 A187 G291A159-N189 WeakPolarHBondContact O-CB 3.41Å; A159-N189 PolarHBondContact O-N 2.84Å; D160-N189 WeakPolarHBondContact O-CB 3.17Å; D160-N189 PolarHBondContact O-ND2 3.23Å; A187-N189 PolarHBondContact O-N 3.32Å; N189-G291 VanDerWaalsContact OD1-CA 3.3Å; N189-G291 WeakPolarHBondContact OD1-CA 3.38Å
190V93Very high94.4Very high0 Ų029.4 Ų29.40%017%0.165CC..  trans-125.9134.1173.7-65.30000109.5F162 E163 L188 K192 V196 R289 G291 M292F162-V190 HydrophobicContact CB-CG1 4.25Å; F162-V190 HydrophobicContact CD1-CG1 3.38Å; F162-V190 HydrophobicContact CE1-CG1 4.07Å; F162-V190 HydrophobicContact CG-CG1 4.12Å; E163-V190 HydrophobicContact CG-CG1 4.17Å; L188-V190 VanDerWaalsContact C-N 3.29Å; L188-V190 HydrophobicContact CB-CG2 4.15Å; L188-V190 PolarHBondContact O-N 3.39Å; L188-V190 VanDerWaalsContact O-N 3.08Å; V190-K192 VanDerWaalsContact C-N 3.3Å; V190-V196 HydrophobicContact CB-CG2 4.38Å; V190-V196 HydrophobicContact CG1-CG2 4.1Å; V190-V196 HydrophobicContact CG2-CG2 3.81Å; V190-R289 HydrophobicContact CG2-CB 4.07Å; V190-R289 HydrophobicContact CG2-CG 4.36Å; V190-G291 CarbonylContact O-C 3.57Å; V190-G291 WeakPolarHBondContact O-CA 3.07Å; V190-M292 HydrophobicContact CG2-CE 4.49Å; V190-M292 VanDerWaalsContact O-CG 3.3Å; V190-M292 WeakPolarHBondContact O-CG 3.19Å; V190-M292 PolarHBondContact O-N 2.87Å
191E90.9Very high94.4Very high78 Ų7829.2 Ų29.236%0.36416%0.164SC..SBendtrans-76.6-23.8177.1-69.5-161.7-161.900112.4E163 A294 R589E163-E191 PolarHBondContact OE1-N 3.4Å; E191-A294 HydrophobicContact CG-CB 4.31Å; E191-R589 WeakPolarHBondContact OE1-CD 3.34Å; E191-R589 IonicContact OE1-NE 3.14Å; E191-R589 PolarHBondContact OE1-NE 3.09Å; E191-R589 IonicContact OE2-CZ 3.77Å; E191-R589 IonicContact OE2-NE 2.73Å; E191-R589 PolarHBondContact OE2-NE 3.04Å; E191-R589 IonicContact OE2-NH2 2.86Å; E191-R589 PolarHBondContact OE2-NH2 2.89Å
192K94Very high94.5Very high124 Ų12431.1 Ų31.154%0.53916%0.164SC..  trans-142.1136.5-169.5-72.3-174.4-171.7175.70110.8V190 E194 A195V190-K192 VanDerWaalsContact C-N 3.3Å; K192-E194 WeakPolarHBondContact CB-OE2 3.29Å; K192-E194 PolarHBondContact O-N 3.25Å; K192-A195 PolarHBondContact O-N 3.39Å
193E95.6Very high94.6Very high0 Ų031.1 Ų31.10%016%0.164CC..Hα-helixtrans-67.2-23.3-179.7-167.667.4-16800111.8A195 V196 F197 I222 R223 L226 L227 R289 M292E193-A195 PolarHBondContact O-N 3.11Å; E193-V196 WeakPolarHBondContact O-CB 3.1Å; E193-V196 PolarHBondContact O-N 2.84Å; E193-F197 PolarHBondContact O-N 2.96Å; E193-F197 VanDerWaalsContact O-N 3.08Å; E193-I222 HydrophobicContact CG-CG2 4.33Å; E193-R223 HydrophobicContact CG-CB 4.13Å; E193-R223 PolarHBondContact OE1-N 3.29Å; E193-L226 HydrophobicContact CB-CB 4.03Å; E193-L227 HydrophobicContact CB-CD2 3.74Å; E193-L227 HydrophobicContact CB-CG 4.2Å; E193-L227 HydrophobicContact CG-CD2 4.06Å; E193-L227 HydrophobicContact CG-CG 4.24Å; E193-R289 IonicContact OE1-CZ 3.39Å; E193-R289 IonicContact OE1-NE 3.47Å; E193-R289 PolarHBondContact OE1-NE 2.79Å; E193-R289 IonicContact OE1-NH2 3.92Å; E193-R289 PolarHBondContact OE1-NH2 3.43Å; E193-R289 WeakPolarHBondContact OE2-CD 3.28Å; E193-R289 IonicContact OE2-CZ 3.58Å; E193-R289 IonicContact OE2-NE 3.21Å; E193-R289 PolarHBondContact OE2-NE 3.29Å; E193-R289 IonicContact OE2-NH2 2.88Å; E193-M292 HydrophobicContact CB-CE 4.01Å; E193-M292 WeakPolarHBondContact OE2-CE 3.46Å
194E96.1Very high94.5Very high27 Ų2731.1 Ų31.113%0.12616%0.164CC..Hα-helixtrans-51.7-41174.4-64.291.8126.300111.6K192 V196 F197 E198 L227 P228 Y231K192-E194 WeakPolarHBondContact CB-OE2 3.29Å; K192-E194 PolarHBondContact O-N 3.25Å; E194-V196 VanDerWaalsContact C-N 3.3Å; E194-V196 PolarHBondContact O-N 2.95Å; E194-F197 PolarHBondContact O-N 3.46Å; E194-E198 WeakPolarHBondContact O-CB 3.34Å; E194-E198 VanDerWaalsContact O-CG 3.26Å; E194-E198 WeakPolarHBondContact O-CG 3.46Å; E194-E198 PolarHBondContact O-N 2.9Å; E194-L227 HydrophobicContact CB-CD2 4.31Å; E194-L227 HydrophobicContact CG-CD2 3.79Å; E194-L227 VanDerWaalsContact N-CD2 3.34Å; E194-P228 VanDerWaalsContact CD-CD 3.43Å; E194-P228 WeakPolarHBondContact OE1-CD 3.31Å; E194-P228 VanDerWaalsContact OE1-CG 3.25Å; E194-P228 WeakPolarHBondContact OE1-CG 3.17Å; E194-Y231 HydrophobicContact CB-CE1 4.32Å; E194-Y231 HydrophobicContact CB-CE2 4.13Å; E194-Y231 HydrophobicContact CG-CD1 3.84Å; E194-Y231 HydrophobicContact CG-CD2 3.75Å; E194-Y231 HydrophobicContact CG-CE1 3.91Å; E194-Y231 HydrophobicContact CG-CE2 3.78Å; E194-Y231 HydrophobicContact CG-CG 3.78Å
195A95.7Very high94.6Very high26 Ų2635.1 Ų35.122%0.21517%0.171CC..Hα-helixtrans-62.8-37.818000000112.2K192 E193 A199K192-A195 PolarHBondContact O-N 3.39Å; E193-A195 PolarHBondContact O-N 3.11Å; A195-A199 WeakPolarHBondContact O-CB 3.36Å; A195-A199 PolarHBondContact O-N 3.41Å
196V97.2Very high94.8Very high0 Ų038.4 Ų38.40%018%0.184CC..Hα-helixtrans-70.5-45178.3-169.50000110.4F162 I183 L188 V190 E193 E194 A199 L200 I222F162-V196 HydrophobicContact CE1-CG2 4.26Å; I183-V196 HydrophobicContact CB-CG1 3.7Å; I183-V196 HydrophobicContact CG2-CG1 3.93Å; L188-V196 HydrophobicContact CD1-CG1 4.37Å; L188-V196 HydrophobicContact CD1-CG2 4.06Å; V190-V196 HydrophobicContact CB-CG2 4.38Å; V190-V196 HydrophobicContact CG1-CG2 4.1Å; V190-V196 HydrophobicContact CG2-CG2 3.81Å; E193-V196 WeakPolarHBondContact O-CB 3.1Å; E193-V196 PolarHBondContact O-N 2.84Å; E194-V196 VanDerWaalsContact C-N 3.3Å; E194-V196 PolarHBondContact O-N 2.95Å; V196-A199 PolarHBondContact O-N 3.16Å; V196-L200 WeakPolarHBondContact O-CB 3.3Å; V196-L200 PolarHBondContact O-N 3.5Å; V196-I222 HydrophobicContact CB-CD1 4.25Å; V196-I222 HydrophobicContact CG1-CD1 3.58Å
197F96.9Very high94.8Very high5 Ų536.4 Ų36.42%0.02217%0.173CC..Hα-helixtrans-61.7-44.3176.6177.4-101.2000111.9E193 E194 L200 M201 I222 F224 Y231 V236 I242E193-F197 PolarHBondContact O-N 2.96Å; E193-F197 VanDerWaalsContact O-N 3.08Å; E194-F197 PolarHBondContact O-N 3.46Å; F197-L200 PolarHBondContact O-N 3.39Å; F197-M201 HydrophobicContact CD1-CG 4.29Å; F197-M201 HydrophobicContact CD2-CG 4.23Å; F197-M201 HydrophobicContact CE1-CG 3.84Å; F197-M201 HydrophobicContact CE2-CG 3.77Å; F197-M201 HydrophobicContact CE2-SD 4.17Å; F197-M201 HydrophobicContact CG-CG 4.47Å; F197-M201 HydrophobicContact CZ-CG 3.55Å; F197-M201 HydrophobicContact CZ-SD 4.17Å; F197-M201 WeakPolarHBondContact O-CB 2.95Å; F197-M201 VanDerWaalsContact O-CG 3.32Å; F197-M201 WeakPolarHBondContact O-CG 3.29Å; F197-M201 PolarHBondContact O-N 3.14Å; F197-I222 HydrophobicContact CB-CG2 4.45Å; F197-I222 HydrophobicContact CD2-CG2 4.45Å; F197-F224 HydrophobicContact CD2-CE1 4.15Å; F197-F224 HydrophobicContact CE2-CE1 4.19Å; F197-Y231 HydrophobicContact CD1-CE1 4.03Å; F197-Y231 HydrophobicContact CE1-CE1 4.49Å; F197-V236 HydrophobicContact CD1-CG2 4.29Å; F197-V236 HydrophobicContact CD2-CG2 4.49Å; F197-V236 HydrophobicContact CE1-CG2 3.85Å; F197-V236 HydrophobicContact CE2-CG1 4.19Å; F197-V236 HydrophobicContact CE2-CG2 4.08Å; F197-V236 HydrophobicContact CZ-CB 4.2Å; F197-V236 HydrophobicContact CZ-CG1 4.16Å; F197-V236 HydrophobicContact CZ-CG2 3.74Å; F197-I242 HydrophobicContact CE2-CD1 4.27Å; F197-I242 HydrophobicContact CZ-CD1 4.09Å
198E96.5Very high94.9Very high102 Ų10240.4 Ų40.448%0.47718%0.184SC..Hα-helixtrans-64.7-42.1178.6-73.3176.4-177.800112.1E194 M201 R202 Y231E194-E198 WeakPolarHBondContact O-CB 3.34Å; E194-E198 VanDerWaalsContact O-CG 3.26Å; E194-E198 WeakPolarHBondContact O-CG 3.46Å; E194-E198 PolarHBondContact O-N 2.9Å; E198-M201 PolarHBondContact O-N 2.83Å; E198-R202 WeakPolarHBondContact O-CB 3.3Å; E198-R202 PolarHBondContact O-N 2.96Å; E198-Y231 WeakPolarHBondContact CG-OH 3.15Å; E198-Y231 PolarHBondContact OE1-OH 3.06Å
199A97.1Very high94.6Very high7 Ų748.7 Ų48.76%0.05822%0.223CC..Hα-helixtrans-60.7-46.6174.800000111.8F162 F171 A195 V196 R202 W203F162-A199 HydrophobicContact CE1-CB 4.14Å; F162-A199 HydrophobicContact CZ-CB 3.82Å; F171-A199 HydrophobicContact CE1-CB 4.43Å; A195-A199 WeakPolarHBondContact O-CB 3.36Å; A195-A199 PolarHBondContact O-N 3.41Å; V196-A199 PolarHBondContact O-N 3.16Å; A199-R202 PolarHBondContact O-N 3.04Å; A199-W203 PolarHBondContact O-N 2.83Å
200L96.9Very high94.5Very high0 Ų054 Ų540%024%0.244CC..Hα-helixtrans-59.7-49.5176.2173.864.1000111.2F180 I183 V196 F197 R202 W203 I204 A218 I222F180-L200 HydrophobicContact CE1-CD1 4.4Å; I183-L200 HydrophobicContact CD1-CB 4.43Å; I183-L200 HydrophobicContact CD1-CD1 4.07Å; I183-L200 HydrophobicContact CD1-CD2 4.27Å; I183-L200 HydrophobicContact CD1-CG 4.48Å; V196-L200 WeakPolarHBondContact O-CB 3.3Å; V196-L200 PolarHBondContact O-N 3.5Å; F197-L200 PolarHBondContact O-N 3.39Å; L200-R202 VanDerWaalsContact C-N 3.31Å; L200-R202 PolarHBondContact O-N 3.4Å; L200-W203 HydrophobicContact CD1-CE3 4.09Å; L200-W203 WeakPolarHBondContact O-CB 3.41Å; L200-W203 PolarHBondContact O-N 2.91Å; L200-W203 VanDerWaalsContact O-N 3.13Å; L200-I204 HydrophobicContact CD1-CD1 3.99Å; L200-I204 HydrophobicContact CD1-CG1 4.24Å; L200-I204 HydrophobicContact CG-CD1 4.06Å; L200-I204 WeakPolarHBondContact O-CG1 3.49Å; L200-I204 PolarHBondContact O-N 2.75Å; L200-A218 HydrophobicContact CD1-CB 3.79Å; L200-A218 HydrophobicContact CD2-CB 3.69Å; L200-A218 HydrophobicContact CG-CB 4.33Å; L200-I222 HydrophobicContact CB-CD1 4.46Å; L200-I222 HydrophobicContact CD2-CD1 3.93Å; L200-I222 HydrophobicContact CD2-CG1 3.74Å
201M96.3Very high94.5Very high1 Ų155.4 Ų55.41%0.00525%0.25CC..Hα-helixtrans-67.5-31.3-177.7-69-58.6-66.100112.5F197 E198 I204 R205 L215 D239 L241F197-M201 HydrophobicContact CD1-CG 4.29Å; F197-M201 HydrophobicContact CD2-CG 4.23Å; F197-M201 HydrophobicContact CE1-CG 3.84Å; F197-M201 HydrophobicContact CE2-CG 3.77Å; F197-M201 HydrophobicContact CE2-SD 4.17Å; F197-M201 HydrophobicContact CG-CG 4.47Å; F197-M201 HydrophobicContact CZ-CG 3.55Å; F197-M201 HydrophobicContact CZ-SD 4.17Å; F197-M201 WeakPolarHBondContact O-CB 2.95Å; F197-M201 VanDerWaalsContact O-CG 3.32Å; F197-M201 WeakPolarHBondContact O-CG 3.29Å; F197-M201 PolarHBondContact O-N 3.14Å; E198-M201 PolarHBondContact O-N 2.83Å; M201-I204 HydrophobicContact SD-CD1 4.44Å; M201-R205 WeakPolarHBondContact O-CB 3.47Å; M201-R205 VanDerWaalsContact O-CG 3.23Å; M201-R205 WeakPolarHBondContact O-CG 3.5Å; M201-R205 PolarHBondContact O-N 2.77Å; M201-L215 HydrophobicContact SD-CD1 4Å; M201-D239 WeakPolarHBondContact CE-OD1 3.19Å; M201-L241 HydrophobicContact CE-CD1 4.09Å
202R96.2Very high94.4Very high73 Ų7353.2 Ų53.228%0.27525%0.245SC..Hα-helixtrans-65-43.9170.5-176.7179.2156.1-134.30.7111S166 K167 D168 E169 L172 E198 A199 L200 R205 K206S166-R202 PolarHBondContact O-NH1 3.16Å; K167-R202 VanDerWaalsContact C-NH1 3.27Å; K167-R202 PolarHBondContact O-NH1 3.11Å; K167-R202 PolarHBondContact O-NH2 3.09Å; D168-R202 PolarHBondContact O-NH2 3.3Å; E169-R202 IonicContact OE1-CZ 3.21Å; E169-R202 IonicContact OE1-NH2 2.58Å; E169-R202 PolarHBondContact OE1-NH2 3.05Å; L172-R202 HydrophobicContact CD1-CG 4.35Å; L172-R202 HydrophobicContact CD2-CB 4.4Å; L172-R202 HydrophobicContact CD2-CG 3.81Å; E198-R202 WeakPolarHBondContact O-CB 3.3Å; E198-R202 PolarHBondContact O-N 2.96Å; A199-R202 PolarHBondContact O-N 3.04Å; L200-R202 VanDerWaalsContact C-N 3.31Å; L200-R202 PolarHBondContact O-N 3.4Å; R202-R205 PolarHBondContact O-N 3.01Å; R202-K206 PolarHBondContact O-N 2.89Å
203W96.6Very high94.2Very high0 Ų056 Ų560%026%0.257CS..Hα-helixtrans-60.9-43.5175.5175.894.3000112.3L172 L174 P176 I179 A199 L200 R205 K206 R211L172-W203 HydrophobicContact CD2-CB 4.21Å; L174-W203 WeakPolarHBondContact O-CZ2 3.18Å; L174-W203 PolarHBondContact O-NE1 3.37Å; P176-W203 HydrophobicContact CB-CH2 3.93Å; P176-W203 HydrophobicContact CB-CZ2 4.39Å; P176-W203 HydrophobicContact CG-CH2 3.86Å; P176-W203 HydrophobicContact CG-CZ2 4.15Å; I179-W203 HydrophobicContact CD1-CB 3.71Å; I179-W203 HydrophobicContact CD1-CD2 3.83Å; I179-W203 HydrophobicContact CD1-CE3 4.34Å; I179-W203 HydrophobicContact CD1-CG 3.49Å; I179-W203 VanDerWaalsContact CD1-CG 3.49Å; I179-W203 HydrophobicContact CG2-CD2 4.18Å; I179-W203 HydrophobicContact CG2-CE3 4.35Å; I179-W203 HydrophobicContact CG2-CH2 4.16Å; I179-W203 HydrophobicContact CG2-CZ2 3.93Å; I179-W203 HydrophobicContact CG2-CZ3 4.36Å; A199-W203 PolarHBondContact O-N 2.83Å; L200-W203 HydrophobicContact CD1-CE3 4.09Å; L200-W203 WeakPolarHBondContact O-CB 3.41Å; L200-W203 PolarHBondContact O-N 2.91Å; L200-W203 VanDerWaalsContact O-N 3.13Å; W203-R205 PolarHBondContact O-N 2.76Å; W203-K206 PolarHBondContact O-N 3.29Å; W203-R211 HydrophobicContact CH2-CB 4.12Å; W203-R211 HydrophobicContact CH2-CG 3.8Å; W203-R211 HydrophobicContact CZ2-CG 4.07Å; W203-R211 HydrophobicContact CZ3-CB 4.01Å; W203-R211 HydrophobicContact CZ3-CG 4.13Å; W203-R211 WeakPolarHBondContact O-CD 3.39Å; W203-R211 PolarHBondContact O-NH1 2.74Å
204I95.3Very high94.1Very high0 Ų057.1 Ų57.10%027%0.265CS..Hα-helixtrans-65-41.2177.5-66.4179.6000111.5L200 M201 K206 D207 K208 R211 L215 L241L200-I204 HydrophobicContact CD1-CD1 3.99Å; L200-I204 HydrophobicContact CD1-CG1 4.24Å; L200-I204 HydrophobicContact CG-CD1 4.06Å; L200-I204 WeakPolarHBondContact O-CG1 3.49Å; L200-I204 PolarHBondContact O-N 2.75Å; M201-I204 HydrophobicContact SD-CD1 4.44Å; I204-K206 PolarHBondContact O-N 2.85Å; I204-D207 CarbonylContact O-C 3.57Å; I204-D207 VanDerWaalsContact O-C 3.32Å; I204-D207 PolarHBondContact O-N 3.13Å; I204-K208 WeakPolarHBondContact O-CA 3.42Å; I204-K208 PolarHBondContact O-N 3.24Å; I204-R211 HydrophobicContact CG1-CB 4.49Å; I204-R211 HydrophobicContact CG2-CB 4.41Å; I204-L215 HydrophobicContact CD1-CB 4.09Å; I204-L215 HydrophobicContact CD1-CD1 3.16Å; I204-L215 HydrophobicContact CD1-CG 4.14Å; I204-L241 HydrophobicContact CG2-CD1 3.89Å
205R95.1Very high93.9Very high109 Ų10956 Ų5641%0.41126%0.259SS..Hα-helixtrans-69.4-17-178.1-71.4-178-164.8111.6-3.8114.2M201 R202 W203 D239 L241M201-R205 WeakPolarHBondContact O-CB 3.47Å; M201-R205 VanDerWaalsContact O-CG 3.23Å; M201-R205 WeakPolarHBondContact O-CG 3.5Å; M201-R205 PolarHBondContact O-N 2.77Å; R202-R205 PolarHBondContact O-N 3.01Å; W203-R205 PolarHBondContact O-N 2.76Å; R205-D239 IonicContact CZ-OD2 3.52Å; R205-D239 IonicContact NH2-OD2 2.7Å; R205-D239 PolarHBondContact NH2-OD2 2.86Å; R205-L241 HydrophobicContact CG-CD1 4.22Å
206K94.6Very high93.7Very high91 Ų9157.3 Ų57.340%0.39626%0.263SS..Hα-helixtrans-67.2-38.7173.9-176.2172.2-175.8177.60112.5L172 D173 R202 W203 I204L172-K206 HydrophobicContact CB-CD 3.28Å; L172-K206 HydrophobicContact CD1-CD 3.88Å; L172-K206 HydrophobicContact CG-CD 4.24Å; D173-K206 VanDerWaalsContact CG-NZ 3.31Å; D173-K206 WeakPolarHBondContact OD1-CE 3.37Å; D173-K206 IonicContact OD1-NZ 2.89Å; D173-K206 PolarHBondContact OD1-NZ 2.71Å; D173-K206 IonicContact OD2-NZ 3.98Å; D173-K206 PolarHBondContact OD2-NZ 3.19Å; R202-K206 PolarHBondContact O-N 2.89Å; W203-K206 PolarHBondContact O-N 3.29Å; I204-K206 PolarHBondContact O-N 2.85Å
207D92.6Very high93.6Very high47 Ų4762.1 Ų62.125%0.25129%0.285SS..THydrogen-bonded Turntrans-136.471.9176.9-171.9-11.9000109.6I204 E209 K210 R211I204-D207 CarbonylContact O-C 3.57Å; I204-D207 VanDerWaalsContact O-C 3.32Å; I204-D207 PolarHBondContact O-N 3.13Å; D207-E209 VanDerWaalsContact C-N 3.28Å; D207-E209 PolarHBondContact O-N 2.92Å; D207-K210 PolarHBondContact O-N 3.33Å; D207-K210 PolarHBondContact OD1-N 3.41Å; D207-K210 VanDerWaalsContact OD2-CD 3.32Å; D207-K210 WeakPolarHBondContact OD2-CD 3.41Å; D207-K210 IonicContact OD2-NZ 2.8Å; D207-R211 HydrophobicContact CB-CG 4.14Å; D207-R211 WeakPolarHBondContact O-CB 3.36Å; D207-R211 WeakPolarHBondContact O-CG 3.37Å; D207-R211 PolarHBondContact O-N 3.42Å
208K90.8Very high93.4Very high116 Ų11661.9 Ų61.950%0.50428%0.284SS..Hα-helixtrans-56.2-42.2-173-67.5178.8-175.7-179.30112.2I204 A212I204-K208 WeakPolarHBondContact O-CA 3.42Å; I204-K208 PolarHBondContact O-N 3.24Å; K208-A212 WeakPolarHBondContact O-CB 3.22Å; K208-A212 PolarHBondContact O-N 2.86Å
209E88Confident93.3Very high175 Ų17557 Ų5782%0.81826%0.261SS*.Hα-helixtrans-67.2-41.1-172.7-64.2-175.3176.900112.3D207D207-E209 VanDerWaalsContact C-N 3.28Å; D207-E209 PolarHBondContact O-N 2.92Å
210K90.3Very high93.1Very high153 Ų15359.7 Ų59.767%0.66527%0.273SS*.Hα-helixtrans-84.2-41.9179.3-61-172.8-163.9158.70112.1D207D207-K210 PolarHBondContact O-N 3.33Å; D207-K210 PolarHBondContact OD1-N 3.41Å; D207-K210 VanDerWaalsContact OD2-CD 3.32Å; D207-K210 WeakPolarHBondContact OD2-CD 3.41Å; D207-K210 IonicContact OD2-NZ 2.8Å
211R92.1Very high93Very high30 Ų3063.5 Ų63.511%0.11329%0.288CS..Hα-helixtrans-86.7-19.6-168.9-61.4176.3179.4-179.6-4.9114.2L172 W203 I204 D207 K213 S214L172-R211 VanDerWaalsContact O-CZ 3.25Å; L172-R211 PolarHBondContact O-NH1 3.19Å; L172-R211 PolarHBondContact O-NH2 2.96Å; W203-R211 HydrophobicContact CH2-CB 4.12Å; W203-R211 HydrophobicContact CH2-CG 3.8Å; W203-R211 HydrophobicContact CZ2-CG 4.07Å; W203-R211 HydrophobicContact CZ3-CB 4.01Å; W203-R211 HydrophobicContact CZ3-CG 4.13Å; W203-R211 WeakPolarHBondContact O-CD 3.39Å; W203-R211 PolarHBondContact O-NH1 2.74Å; I204-R211 HydrophobicContact CG1-CB 4.49Å; I204-R211 HydrophobicContact CG2-CB 4.41Å; D207-R211 HydrophobicContact CB-CG 4.14Å; D207-R211 WeakPolarHBondContact O-CB 3.36Å; D207-R211 WeakPolarHBondContact O-CG 3.37Å; D207-R211 PolarHBondContact O-N 3.42Å; R211-K213 PolarHBondContact O-N 3.37Å; R211-S214 PolarHBondContact O-N 3.25Å
212A89.8Confident93Very high32 Ų3263.5 Ų63.526%0.26429%0.288SS..G310 helixtrans-57.8-31.6174.200000112.1K208 S214 L215K208-A212 WeakPolarHBondContact O-CB 3.22Å; K208-A212 PolarHBondContact O-N 2.86Å; A212-S214 PolarHBondContact O-N 2.86Å; A212-L215 WeakPolarHBondContact O-CB 3.42Å; A212-L215 PolarHBondContact O-N 3.11Å
213K89.8Confident92.9Very high183 Ų18360.3 Ų60.380%0.79628%0.276SS*.G310 helixtrans-66-24.6176.3-62.1-179.4-177.5178.10113.5R211R211-K213 PolarHBondContact O-N 3.37Å
214S92.9Very high92.9Very high23 Ų2360.3 Ų60.316%0.16128%0.276CS..G310 helixtrans-90.8-2.3178.7-53.30000112.6R211 A212 D216 E217 A218R211-S214 PolarHBondContact O-N 3.25Å; A212-S214 PolarHBondContact O-N 2.86Å; S214-D216 VanDerWaalsContact C-N 3.34Å; S214-D216 PolarHBondContact O-N 3.31Å; S214-E217 PolarHBondContact O-N 2.82Å; S214-A218 WeakPolarHBondContact O-CB 3.42Å; S214-A218 PolarHBondContact O-N 3.41Å
215L91.8Very high92.8Very high2 Ų263.7 Ų63.71%0.0129%0.288CS..Hα-helixtrans-65.3-35.7-176.1-177.263000112.2M201 I204 A212 A218 F219 L241 I242 L248M201-L215 HydrophobicContact SD-CD1 4Å; I204-L215 HydrophobicContact CD1-CB 4.09Å; I204-L215 HydrophobicContact CD1-CD1 3.16Å; I204-L215 HydrophobicContact CD1-CG 4.14Å; A212-L215 WeakPolarHBondContact O-CB 3.42Å; A212-L215 PolarHBondContact O-N 3.11Å; L215-A218 PolarHBondContact O-N 3.08Å; L215-F219 HydrophobicContact CD1-CD1 4.12Å; L215-F219 HydrophobicContact CD1-CE1 3.71Å; L215-F219 HydrophobicContact CG-CD1 4.44Å; L215-F219 HydrophobicContact CG-CE1 4.12Å; L215-F219 VanDerWaalsContact O-CD1 3.3Å; L215-F219 WeakPolarHBondContact O-CD1 3.5Å; L215-F219 PolarHBondContact O-N 2.86Å; L215-L241 HydrophobicContact CD2-CB 4.11Å; L215-I242 HydrophobicContact CD2-CG1 4.4Å; L215-L248 HydrophobicContact CB-CD1 4.21Å; L215-L248 HydrophobicContact CD2-CD1 3.26Å; L215-L248 HydrophobicContact CG-CD1 3.46Å; L215-L248 VanDerWaalsContact CG-CD1 3.46Å
216D91.7Very high92.7Very high54 Ų5460.7 Ų60.729%0.28928%0.28SS..Hα-helixtrans-61.7-46.2176.4-174.969.5000112.6S214 F219 L248 K251S214-D216 VanDerWaalsContact C-N 3.34Å; S214-D216 PolarHBondContact O-N 3.31Å; D216-F219 PolarHBondContact O-N 2.65Å; D216-L248 HydrophobicContact CB-CD2 4.23Å; D216-K251 PolarHBondContact O-NZ 2.76Å; D216-K251 WeakPolarHBondContact OD1-CE 3.32Å; D216-K251 IonicContact OD1-NZ 3.99Å; D216-K251 PolarHBondContact OD1-NZ 2.9Å; D216-K251 IonicContact OD2-NZ 3.57Å; D216-K251 PolarHBondContact OD2-NZ 2.88Å; D216-K251 VanDerWaalsContact OD2-NZ 3.11Å
217E93.8Very high92.7Very high101 Ų10156.6 Ų56.647%0.47226%0.262SS..Hα-helixtrans-66.6-41.6175.6-174.3-179.9-172.300111F180 S214 F219 E220 Y221F180-E217 HydrophobicContact CD2-CG 4.15Å; F180-E217 HydrophobicContact CE2-CB 4.11Å; F180-E217 HydrophobicContact CE2-CG 3.79Å; S214-E217 PolarHBondContact O-N 2.82Å; E217-F219 PolarHBondContact O-N 2.89Å; E217-F219 VanDerWaalsContact O-N 3.16Å; E217-E220 WeakPolarHBondContact O-CB 3.43Å; E217-E220 PolarHBondContact O-N 2.85Å; E217-Y221 HydrophobicContact CG-CE2 4.26Å; E217-Y221 WeakPolarHBondContact O-CD2 3.41Å
218A93.5Very high92.8Very high0 Ų057.3 Ų57.30%027%0.27CS..Hα-helixtrans-58.3-32.1-179.900000113.3F180 L200 S214 L215 E220 Y221F180-A218 HydrophobicContact CD1-CB 4.27Å; F180-A218 HydrophobicContact CE1-CB 3.4Å; F180-A218 HydrophobicContact CZ-CB 3.69Å; L200-A218 HydrophobicContact CD1-CB 3.79Å; L200-A218 HydrophobicContact CD2-CB 3.69Å; L200-A218 HydrophobicContact CG-CB 4.33Å; S214-A218 WeakPolarHBondContact O-CB 3.42Å; S214-A218 PolarHBondContact O-N 3.41Å; L215-A218 PolarHBondContact O-N 3.08Å; A218-E220 PolarHBondContact O-N 2.71Å; A218-Y221 PolarHBondContact O-N 3.49Å; A218-Y221 VanDerWaalsContact O-N 3.09Å
219F93.9Very high92.9Very high0 Ų056.3 Ų56.30%027%0.267CS..Hα-helixtrans-60.8-31.1177.8-92.237000112.7L215 D216 E217 Y221 I222 F224 I242 L248 K251 I252 Y283L215-F219 HydrophobicContact CD1-CD1 4.12Å; L215-F219 HydrophobicContact CD1-CE1 3.71Å; L215-F219 HydrophobicContact CG-CD1 4.44Å; L215-F219 HydrophobicContact CG-CE1 4.12Å; L215-F219 VanDerWaalsContact O-CD1 3.3Å; L215-F219 WeakPolarHBondContact O-CD1 3.5Å; L215-F219 PolarHBondContact O-N 2.86Å; D216-F219 PolarHBondContact O-N 2.65Å; E217-F219 PolarHBondContact O-N 2.89Å; E217-F219 VanDerWaalsContact O-N 3.16Å; F219-Y221 PolarHBondContact O-N 2.82Å; F219-Y221 VanDerWaalsContact O-N 3.11Å; F219-I222 PolarHBondContact O-N 2.75Å; F219-I222 VanDerWaalsContact O-N 3.16Å; F219-F224 HydrophobicContact CB-CE2 4.11Å; F219-F224 HydrophobicContact CD1-CE2 4.37Å; F219-F224 AromaticContact CD1-CZ 3.93Å; F219-F224 HydrophobicContact CD1-CZ 3.93Å; F219-F224 AromaticContact CD2-CE2 3.7Å; F219-F224 HydrophobicContact CD2-CE2 3.7Å; F219-F224 AromaticContact CD2-CZ 3.61Å; F219-F224 HydrophobicContact CD2-CZ 3.61Å; F219-F224 AromaticContact CE1-CZ 3.91Å; F219-F224 HydrophobicContact CE1-CZ 3.91Å; F219-F224 HydrophobicContact CE2-CE1 4.33Å; F219-F224 HydrophobicContact CE2-CE2 4.17Å; F219-F224 AromaticContact CE2-CZ 3.63Å; F219-F224 HydrophobicContact CE2-CZ 3.63Å; F219-F224 AromaticContact CG-CE2 3.82Å; F219-F224 HydrophobicContact CG-CE2 3.82Å; F219-F224 AromaticContact CG-CZ 3.76Å; F219-F224 HydrophobicContact CG-CZ 3.76Å; F219-F224 HydrophobicContact CZ-CE1 4.38Å; F219-F224 AromaticContact CZ-CZ 3.79Å; F219-F224 HydrophobicContact CZ-CZ 3.79Å; F219-I242 HydrophobicContact CE1-CD1 4.32Å; F219-I242 HydrophobicContact CE1-CG1 4.47Å; F219-I242 HydrophobicContact CZ-CD1 3.7Å; F219-I242 HydrophobicContact CZ-CG1 3.92Å; F219-I242 HydrophobicContact CZ-CG2 4.36Å; F219-L248 HydrophobicContact CD1-CD2 4.15Å; F219-L248 HydrophobicContact CD2-CD2 3.8Å; F219-L248 HydrophobicContact CE1-CD2 4.27Å; F219-L248 HydrophobicContact CE2-CD2 3.89Å; F219-L248 HydrophobicContact CG-CD2 3.94Å; F219-L248 HydrophobicContact CZ-CD2 4.13Å; F219-K251 HydrophobicContact CB-CD 4.32Å; F219-K251 HydrophobicContact CD2-CB 4.48Å; F219-K251 HydrophobicContact CD2-CD 4.33Å; F219-I252 HydrophobicContact CE2-CD1 4.12Å; F219-Y283 VanDerWaalsContact O-CB 3.3Å; F219-Y283 WeakPolarHBondContact O-CB 3.39Å
220E93.9Very high93.2Very high63 Ų6354.9 Ų54.929%0.29426%0.258SS..THydrogen-bonded Turntrans-63.3-17.6177.9-58.8-58.9148.400112.6E217 A218 K251 G282 Y283E217-E220 WeakPolarHBondContact O-CB 3.43Å; E217-E220 PolarHBondContact O-N 2.85Å; A218-E220 PolarHBondContact O-N 2.71Å; E220-K251 IonicContact OE1-NZ 2.92Å; E220-K251 PolarHBondContact OE1-NZ 3.49Å; E220-G282 CarbonylContact O-C 3.57Å; E220-G282 VanDerWaalsContact O-C 3.23Å; E220-G282 WeakPolarHBondContact O-CA 3.39Å; E220-G282 PolarHBondContact OE2-N 2.86Å; E220-Y283 WeakPolarHBondContact OE1-CD1 3.46Å; E220-Y283 VanDerWaalsContact OE1-CE1 3.24Å; E220-Y283 WeakPolarHBondContact OE1-CE1 3.21Å; E220-Y283 WeakPolarHBondContact OE2-CD1 3.38Å
221Y94.9Very high93.5Very high81 Ų8149.4 Ų49.432%0.31823%0.233SC..THydrogen-bonded Turntrans-101.2-1.9-179.3-57-80.6000114F180 E217 A218 F219 R289F180-Y221 HydrophobicContact CB-CD2 3.86Å; F180-Y221 HydrophobicContact CB-CE1 4.35Å; F180-Y221 HydrophobicContact CB-CE2 3.65Å; F180-Y221 HydrophobicContact CB-CG 4.3Å; F180-Y221 HydrophobicContact CD1-CD2 4.23Å; F180-Y221 HydrophobicContact CD2-CD2 4.32Å; F180-Y221 AromaticContact CD2-CE2 3.81Å; F180-Y221 HydrophobicContact CD2-CE2 3.81Å; F180-Y221 AromaticContact CG-CD2 3.88Å; F180-Y221 HydrophobicContact CG-CD2 3.88Å; F180-Y221 AromaticContact CG-CE2 3.74Å; F180-Y221 HydrophobicContact CG-CE2 3.74Å; E217-Y221 HydrophobicContact CG-CE2 4.26Å; E217-Y221 WeakPolarHBondContact O-CD2 3.41Å; A218-Y221 PolarHBondContact O-N 3.49Å; A218-Y221 VanDerWaalsContact O-N 3.09Å; F219-Y221 PolarHBondContact O-N 2.82Å; F219-Y221 VanDerWaalsContact O-N 3.11Å; Y221-R289 PolarHBondContact O-NH2 3.33Å
222I95.8Very high93.6Very high0 Ų048 Ų480%023%0.228CC..SBendtrans-104.3128.5177.7-57.7-60000110.1I183 E193 V196 F197 L200 F219 F224 Y283I183-I222 HydrophobicContact CD1-CD1 4.08Å; E193-I222 HydrophobicContact CG-CG2 4.33Å; V196-I222 HydrophobicContact CB-CD1 4.25Å; V196-I222 HydrophobicContact CG1-CD1 3.58Å; F197-I222 HydrophobicContact CB-CG2 4.45Å; F197-I222 HydrophobicContact CD2-CG2 4.45Å; L200-I222 HydrophobicContact CB-CD1 4.46Å; L200-I222 HydrophobicContact CD2-CD1 3.93Å; L200-I222 HydrophobicContact CD2-CG1 3.74Å; F219-I222 PolarHBondContact O-N 2.75Å; F219-I222 VanDerWaalsContact O-N 3.16Å; I222-F224 HydrophobicContact CB-CD2 4.11Å; I222-F224 HydrophobicContact CB-CE2 3.64Å; I222-F224 HydrophobicContact CB-CZ 3.92Å; I222-F224 HydrophobicContact CG2-CD1 4.17Å; I222-F224 HydrophobicContact CG2-CD2 3.94Å; I222-F224 HydrophobicContact CG2-CE1 3.95Å; I222-F224 HydrophobicContact CG2-CE2 3.75Å; I222-F224 HydrophobicContact CG2-CG 4.16Å; I222-F224 HydrophobicContact CG2-CZ 3.75Å; I222-F224 VanDerWaalsContact O-CD2 3.29Å; I222-F224 WeakPolarHBondContact O-CD2 3.5Å; I222-F224 PolarHBondContact O-N 3.39Å; I222-F224 VanDerWaalsContact O-N 3.1Å; I222-Y283 WeakPolarHBondContact O-CA 3.29Å
223R95Very high93.8Very high6 Ų651.4 Ų51.42%0.02324%0.237CC..  trans-89.870.4-176.3-57178-165.9-162.8-3.5110.9D186 E193 R225 L226 N285 S287 R288D186-R223 IonicContact OD1-CZ 3.85Å; D186-R223 IonicContact OD1-NH1 2.63Å; D186-R223 PolarHBondContact OD1-NH1 2.92Å; D186-R223 IonicContact OD1-NH2 3.45Å; D186-R223 PolarHBondContact OD1-NH2 2.82Å; E193-R223 HydrophobicContact CG-CB 4.13Å; E193-R223 PolarHBondContact OE1-N 3.29Å; R223-R225 PolarHBondContact O-N 3.04Å; R223-L226 HydrophobicContact CB-CB 4.4Å; R223-L226 HydrophobicContact CB-CD1 3.73Å; R223-L226 HydrophobicContact CB-CG 4.05Å; R223-L226 HydrophobicContact CG-CD1 4.37Å; R223-L226 WeakPolarHBondContact O-CB 3.32Å; R223-L226 PolarHBondContact O-N 3.44Å; R223-N285 WeakPolarHBondContact CB-O 3.44Å; R223-N285 HydrophobicContact CG-CB 4.24Å; R223-S287 VanDerWaalsContact CD-O 3.29Å; R223-S287 WeakPolarHBondContact CD-O 3.33Å; R223-S287 PolarHBondContact NH1-O 3.46Å; R223-R288 PolarHBondContact NH1-O 3.24Å
224F94.7Very high94Very high0 Ų047.2 Ų47.20%022%0.22CC..G310 helixtrans-56.1-27.8-171.2-68.3-89000114.1F197 F219 I222 L226 L227 F232 V236 I255 F259 Y283F197-F224 HydrophobicContact CD2-CE1 4.15Å; F197-F224 HydrophobicContact CE2-CE1 4.19Å; F219-F224 HydrophobicContact CB-CE2 4.11Å; F219-F224 HydrophobicContact CD1-CE2 4.37Å; F219-F224 AromaticContact CD1-CZ 3.93Å; F219-F224 HydrophobicContact CD1-CZ 3.93Å; F219-F224 AromaticContact CD2-CE2 3.7Å; F219-F224 HydrophobicContact CD2-CE2 3.7Å; F219-F224 AromaticContact CD2-CZ 3.61Å; F219-F224 HydrophobicContact CD2-CZ 3.61Å; F219-F224 AromaticContact CE1-CZ 3.91Å; F219-F224 HydrophobicContact CE1-CZ 3.91Å; F219-F224 HydrophobicContact CE2-CE1 4.33Å; F219-F224 HydrophobicContact CE2-CE2 4.17Å; F219-F224 AromaticContact CE2-CZ 3.63Å; F219-F224 HydrophobicContact CE2-CZ 3.63Å; F219-F224 AromaticContact CG-CE2 3.82Å; F219-F224 HydrophobicContact CG-CE2 3.82Å; F219-F224 AromaticContact CG-CZ 3.76Å; F219-F224 HydrophobicContact CG-CZ 3.76Å; F219-F224 HydrophobicContact CZ-CE1 4.38Å; F219-F224 AromaticContact CZ-CZ 3.79Å; F219-F224 HydrophobicContact CZ-CZ 3.79Å; I222-F224 HydrophobicContact CB-CD2 4.11Å; I222-F224 HydrophobicContact CB-CE2 3.64Å; I222-F224 HydrophobicContact CB-CZ 3.92Å; I222-F224 HydrophobicContact CG2-CD1 4.17Å; I222-F224 HydrophobicContact CG2-CD2 3.94Å; I222-F224 HydrophobicContact CG2-CE1 3.95Å; I222-F224 HydrophobicContact CG2-CE2 3.75Å; I222-F224 HydrophobicContact CG2-CG 4.16Å; I222-F224 HydrophobicContact CG2-CZ 3.75Å; I222-F224 VanDerWaalsContact O-CD2 3.29Å; I222-F224 WeakPolarHBondContact O-CD2 3.5Å; I222-F224 PolarHBondContact O-N 3.39Å; I222-F224 VanDerWaalsContact O-N 3.1Å; F224-L226 PolarHBondContact O-N 3.33Å; F224-L227 HydrophobicContact CB-CD1 4.34Å; F224-L227 HydrophobicContact CD1-CD1 3.58Å; F224-L227 HydrophobicContact CE1-CD1 4.3Å; F224-L227 HydrophobicContact CG-CD1 4.29Å; F224-L227 WeakPolarHBondContact O-CB 3.32Å; F224-L227 PolarHBondContact O-N 3.14Å; F224-F232 HydrophobicContact CB-CE2 4.49Å; F224-F232 HydrophobicContact CD1-CD2 4.05Å; F224-F232 AromaticContact CD1-CE2 3.79Å; F224-F232 HydrophobicContact CD1-CE2 3.79Å; F224-F232 HydrophobicContact CG-CE2 4.44Å; F224-V236 HydrophobicContact CD1-CG1 4.23Å; F224-V236 HydrophobicContact CE1-CG1 3.73Å; F224-V236 HydrophobicContact CE1-CG2 4.42Å; F224-I255 HydrophobicContact CB-CD1 4.03Å; F224-I255 HydrophobicContact CB-CG1 4.32Å; F224-I255 HydrophobicContact CB-CG2 3.84Å; F224-I255 HydrophobicContact CD1-CD1 4.27Å; F224-I255 HydrophobicContact CD2-CD1 3.71Å; F224-I255 HydrophobicContact CE2-CD1 4.19Å; F224-I255 HydrophobicContact CG-CD1 3.74Å; F224-F259 WeakPolarHBondContact O-CZ 3.32Å; F224-Y283 PolarHBondContact N-O 2.77Å
225R93.4Very high94Very high72 Ų7251.8 Ų51.827%0.27224%0.237SC..G310 helixtrans-65-15.7175.6-66.8-17270.8-157.6-1.7114.3R223 L284 N286R223-R225 PolarHBondContact O-N 3.04Å; R225-L284 WeakPolarHBondContact CD-O 3.13Å; R225-N286 HydrophobicContact CB-CB 4.1Å; R225-N286 PolarHBondContact NH1-ND2 2.93Å
226L94.4Very high94.1Very high45 Ų4551.7 Ų51.724%0.23624%0.237CC..G310 helixtrans-91.9-8.7174.7-60178.7000112.8E193 R223 F224 S287 M292E193-L226 HydrophobicContact CB-CB 4.03Å; R223-L226 HydrophobicContact CB-CB 4.4Å; R223-L226 HydrophobicContact CB-CD1 3.73Å; R223-L226 HydrophobicContact CB-CG 4.05Å; R223-L226 HydrophobicContact CG-CD1 4.37Å; R223-L226 WeakPolarHBondContact O-CB 3.32Å; R223-L226 PolarHBondContact O-N 3.44Å; F224-L226 PolarHBondContact O-N 3.33Å; L226-S287 WeakPolarHBondContact CD1-O 3.3Å; L226-M292 HydrophobicContact CB-CE 4.43Å; L226-M292 HydrophobicContact CD1-CE 3.86Å; L226-M292 HydrophobicContact CD1-SD 3.72Å
227L94.9Very high94.1Very high5 Ų551 Ų513%0.02623%0.232CC..SBendtrans-76.4139.3174.2-63.9170.2000110.3E193 E194 F224 E229 Y231 F232 V236E193-L227 HydrophobicContact CB-CD2 3.74Å; E193-L227 HydrophobicContact CB-CG 4.2Å; E193-L227 HydrophobicContact CG-CD2 4.06Å; E193-L227 HydrophobicContact CG-CG 4.24Å; E194-L227 HydrophobicContact CB-CD2 4.31Å; E194-L227 HydrophobicContact CG-CD2 3.79Å; E194-L227 VanDerWaalsContact N-CD2 3.34Å; F224-L227 HydrophobicContact CB-CD1 4.34Å; F224-L227 HydrophobicContact CD1-CD1 3.58Å; F224-L227 HydrophobicContact CE1-CD1 4.3Å; F224-L227 HydrophobicContact CG-CD1 4.29Å; F224-L227 WeakPolarHBondContact O-CB 3.32Å; F224-L227 PolarHBondContact O-N 3.14Å; L227-E229 PolarHBondContact O-N 3.27Å; L227-Y231 HydrophobicContact CD2-CD1 4.2Å; L227-Y231 HydrophobicContact CD2-CE1 4.36Å; L227-F232 HydrophobicContact CD1-CD2 4.39Å; L227-V236 HydrophobicContact CD1-CG2 4.07Å
228P94.8Very high94.1Very high62 Ų6252.4 Ų52.440%0.40324%0.236SC..  trans-58.5134.8168.9-23.834000111.2E194 K230 Y231 F232E194-P228 VanDerWaalsContact CD-CD 3.43Å; E194-P228 WeakPolarHBondContact OE1-CD 3.31Å; E194-P228 VanDerWaalsContact OE1-CG 3.25Å; E194-P228 WeakPolarHBondContact OE1-CG 3.17Å; P228-K230 PolarHBondContact O-N 2.74Å; P228-K230 VanDerWaalsContact O-N 3.1Å; P228-Y231 WeakPolarHBondContact O-CA 3.31Å; P228-Y231 WeakPolarHBondContact O-CB 3.43Å; P228-Y231 PolarHBondContact O-N 2.82Å; P228-F232 PolarHBondContact O-N 3.27Å
229E92.7Very high94.1Very high95 Ų9553.4 Ų53.444%0.44424%0.242SC..Hα-helixtrans-54-37.2-178.8-80.5-166.8-141.100113.5L227 F232 K233 F259L227-E229 PolarHBondContact O-N 3.27Å; E229-F232 PolarHBondContact O-N 2.89Å; E229-K233 WeakPolarHBondContact O-CG 3.38Å; E229-K233 PolarHBondContact O-N 3.03Å; E229-K233 IonicContact OE2-NZ 2.73Å; E229-K233 PolarHBondContact OE2-NZ 3.19Å; E229-F259 HydrophobicContact CG-CD1 3.78Å; E229-F259 HydrophobicContact CG-CE1 4.09Å; E229-F259 HydrophobicContact CG-CG 4.17Å
230K94.3Very high94.1Very high146 Ų14661.3 Ų61.364%0.63528%0.279SS*.Hα-helixtrans-61.9-46.1177.1-175-179.2176.9-176.30110.9P228 K233 E234P228-K230 PolarHBondContact O-N 2.74Å; P228-K230 VanDerWaalsContact O-N 3.1Å; K230-K233 PolarHBondContact O-N 3.05Å; K230-E234 WeakPolarHBondContact CE-OE1 3.17Å; K230-E234 WeakPolarHBondContact CG-OE1 3.48Å; K230-E234 WeakPolarHBondContact O-CB 3.49Å; K230-E234 WeakPolarHBondContact O-CG 3.1Å; K230-E234 PolarHBondContact O-N 3.09Å; K230-E234 VanDerWaalsContact O-N 3.09Å
231Y95.6Very high94Very high37 Ų3760.3 Ų60.315%0.14528%0.275CS..Hα-helixtrans-63.2-45.8177.8-175.7-84.5000110.9E194 F197 E198 L227 P228 K233 E234 K235 V236E194-Y231 HydrophobicContact CB-CE1 4.32Å; E194-Y231 HydrophobicContact CB-CE2 4.13Å; E194-Y231 HydrophobicContact CG-CD1 3.84Å; E194-Y231 HydrophobicContact CG-CD2 3.75Å; E194-Y231 HydrophobicContact CG-CE1 3.91Å; E194-Y231 HydrophobicContact CG-CE2 3.78Å; E194-Y231 HydrophobicContact CG-CG 3.78Å; F197-Y231 HydrophobicContact CD1-CE1 4.03Å; F197-Y231 HydrophobicContact CE1-CE1 4.49Å; E198-Y231 WeakPolarHBondContact CG-OH 3.15Å; E198-Y231 PolarHBondContact OE1-OH 3.06Å; L227-Y231 HydrophobicContact CD2-CD1 4.2Å; L227-Y231 HydrophobicContact CD2-CE1 4.36Å; P228-Y231 WeakPolarHBondContact O-CA 3.31Å; P228-Y231 WeakPolarHBondContact O-CB 3.43Å; P228-Y231 PolarHBondContact O-N 2.82Å; Y231-K233 PolarHBondContact O-N 3.06Å; Y231-E234 PolarHBondContact O-N 2.98Å; Y231-K235 HydrophobicContact CD1-CB 4.17Å; Y231-K235 HydrophobicContact CD2-CG 4.01Å; Y231-K235 HydrophobicContact CE1-CB 3.8Å; Y231-K235 HydrophobicContact CE1-CG 4.24Å; Y231-K235 HydrophobicContact CE2-CB 4.24Å; Y231-K235 HydrophobicContact CE2-CG 3.76Å; Y231-K235 HydrophobicContact CG-CG 4.38Å; Y231-K235 WeakPolarHBondContact O-CB 3.43Å; Y231-K235 PolarHBondContact O-N 2.9Å; Y231-V236 HydrophobicContact CE1-CG2 4.38Å
232F94.8Very high93.8Very high2 Ų256.5 Ų56.51%0.00926%0.26CS..Iπ-helixtrans-55.6-49.5178-177.4-96000112.2F224 L227 P228 E229 E234 V236 E237 I252 I255 K256 F259F224-F232 HydrophobicContact CB-CE2 4.49Å; F224-F232 HydrophobicContact CD1-CD2 4.05Å; F224-F232 AromaticContact CD1-CE2 3.79Å; F224-F232 HydrophobicContact CD1-CE2 3.79Å; F224-F232 HydrophobicContact CG-CE2 4.44Å; L227-F232 HydrophobicContact CD1-CD2 4.39Å; P228-F232 PolarHBondContact O-N 3.27Å; E229-F232 PolarHBondContact O-N 2.89Å; F232-E234 VanDerWaalsContact C-N 3.33Å; F232-E234 PolarHBondContact O-N 3.26Å; F232-V236 HydrophobicContact CD2-CB 3.8Å; F232-V236 HydrophobicContact CD2-CG1 4Å; F232-V236 HydrophobicContact CD2-CG2 3.9Å; F232-V236 HydrophobicContact CE2-CB 4.06Å; F232-V236 HydrophobicContact CE2-CG1 3.77Å; F232-V236 HydrophobicContact CG-CB 4.36Å; F232-V236 WeakPolarHBondContact O-CB 3.41Å; F232-V236 PolarHBondContact O-N 3.14Å; F232-E237 HydrophobicContact CD1-CG 3.84Å; F232-E237 VanDerWaalsContact CD1-OE1 3.24Å; F232-E237 WeakPolarHBondContact CD1-OE1 3.35Å; F232-E237 HydrophobicContact CE1-CG 3.54Å; F232-E237 WeakPolarHBondContact CE1-OE1 3.41Å; F232-E237 HydrophobicContact CZ-CG 4.2Å; F232-E237 PolarHBondContact O-N 3.03Å; F232-I252 HydrophobicContact CE1-CG2 4.45Å; F232-I252 HydrophobicContact CE2-CD1 3.92Å; F232-I252 HydrophobicContact CZ-CD1 3.65Å; F232-I252 HydrophobicContact CZ-CG2 4.13Å; F232-I255 HydrophobicContact CD2-CG2 4.34Å; F232-I255 HydrophobicContact CE1-CG2 4.28Å; F232-I255 HydrophobicContact CE2-CB 4.36Å; F232-I255 HydrophobicContact CE2-CD1 4.42Å; F232-I255 HydrophobicContact CE2-CG2 3.55Å; F232-I255 HydrophobicContact CZ-CB 4.02Å; F232-I255 HydrophobicContact CZ-CG2 3.51Å; F232-K256 HydrophobicContact CE1-CG 4.03Å; F232-F259 HydrophobicContact CB-CE2 4.22Å; F232-F259 HydrophobicContact CB-CZ 4.39Å; F232-F259 HydrophobicContact CD1-CD2 4.44Å; F232-F259 AromaticContact CD1-CE2 3.93Å; F232-F259 HydrophobicContact CD1-CE2 3.93Å; F232-F259 AromaticContact CD2-CE2 3.98Å; F232-F259 HydrophobicContact CD2-CE2 3.98Å; F232-F259 HydrophobicContact CE1-CE2 4.26Å; F232-F259 HydrophobicContact CE2-CE2 4.32Å; F232-F259 AromaticContact CG-CE2 3.77Å; F232-F259 HydrophobicContact CG-CE2 3.77Å; F232-F259 HydrophobicContact CG-CZ 4.36Å; F232-F259 HydrophobicContact CZ-CE2 4.45Å
233K93.1Very high93.7Very high102 Ų10261.9 Ų61.944%0.44328%0.284SS..Iπ-helixtrans-64.2-34.8178.8-72.5166.9-177.3154.80113.2E229 K230 Y231 E237E229-K233 WeakPolarHBondContact O-CG 3.38Å; E229-K233 PolarHBondContact O-N 3.03Å; E229-K233 IonicContact OE2-NZ 2.73Å; E229-K233 PolarHBondContact OE2-NZ 3.19Å; K230-K233 PolarHBondContact O-N 3.05Å; Y231-K233 PolarHBondContact O-N 3.06Å; K233-E237 WeakPolarHBondContact CG-OE1 3.44Å
234E93.9Very high93.5Very high96 Ų9665.7 Ų65.745%0.44932%0.316SS..Iπ-helixtrans-88.6-34.2-174.5-72.7177.2-174.400113.8K230 Y231 F232K230-E234 WeakPolarHBondContact CE-OE1 3.17Å; K230-E234 WeakPolarHBondContact CG-OE1 3.48Å; K230-E234 WeakPolarHBondContact O-CB 3.49Å; K230-E234 WeakPolarHBondContact O-CG 3.1Å; K230-E234 PolarHBondContact O-N 3.09Å; K230-E234 VanDerWaalsContact O-N 3.09Å; Y231-E234 PolarHBondContact O-N 2.98Å; F232-E234 VanDerWaalsContact C-N 3.33Å; F232-E234 PolarHBondContact O-N 3.26Å
235K93.8Very high93.3Very high118 Ų11867.8 Ų67.851%0.51333%0.327SS..Iπ-helixtrans-113.8-40.3-170.3-63.7-65.2-172172.90113.7Y231Y231-K235 HydrophobicContact CD1-CB 4.17Å; Y231-K235 HydrophobicContact CD2-CG 4.01Å; Y231-K235 HydrophobicContact CE1-CB 3.8Å; Y231-K235 HydrophobicContact CE1-CG 4.24Å; Y231-K235 HydrophobicContact CE2-CB 4.24Å; Y231-K235 HydrophobicContact CE2-CG 3.76Å; Y231-K235 HydrophobicContact CG-CG 4.38Å; Y231-K235 WeakPolarHBondContact O-CB 3.43Å; Y231-K235 PolarHBondContact O-N 2.9Å
236V93.8Very high93.2Very high0 Ų068.5 Ų68.50%034%0.342CS..Iπ-helixtrans-83-56.3-177.5-174.40000110F197 F224 L227 Y231 F232 K238 D239 I242 I252F197-V236 HydrophobicContact CD1-CG2 4.29Å; F197-V236 HydrophobicContact CD2-CG2 4.49Å; F197-V236 HydrophobicContact CE1-CG2 3.85Å; F197-V236 HydrophobicContact CE2-CG1 4.19Å; F197-V236 HydrophobicContact CE2-CG2 4.08Å; F197-V236 HydrophobicContact CZ-CB 4.2Å; F197-V236 HydrophobicContact CZ-CG1 4.16Å; F197-V236 HydrophobicContact CZ-CG2 3.74Å; F224-V236 HydrophobicContact CD1-CG1 4.23Å; F224-V236 HydrophobicContact CE1-CG1 3.73Å; F224-V236 HydrophobicContact CE1-CG2 4.42Å; L227-V236 HydrophobicContact CD1-CG2 4.07Å; Y231-V236 HydrophobicContact CE1-CG2 4.38Å; F232-V236 HydrophobicContact CD2-CB 3.8Å; F232-V236 HydrophobicContact CD2-CG1 4Å; F232-V236 HydrophobicContact CD2-CG2 3.9Å; F232-V236 HydrophobicContact CE2-CB 4.06Å; F232-V236 HydrophobicContact CE2-CG1 3.77Å; F232-V236 HydrophobicContact CG-CB 4.36Å; F232-V236 WeakPolarHBondContact O-CB 3.41Å; F232-V236 PolarHBondContact O-N 3.14Å; V236-K238 VanDerWaalsContact C-N 3.26Å; V236-K238 PolarHBondContact O-N 3.42Å; V236-D239 WeakPolarHBondContact O-CB 3.38Å; V236-D239 PolarHBondContact O-N 3.04Å; V236-I242 HydrophobicContact CG1-CD1 3.8Å; V236-I242 VanDerWaalsContact O-CD1 3.3Å; V236-I242 WeakPolarHBondContact O-CD1 3.27Å; V236-I252 HydrophobicContact CG1-CD1 3.74Å
237E91.7Very high93.1Very high41 Ų4171 Ų7119%0.19235%0.352CS..THydrogen-bonded Turntrans-65.2-29.6-176-67.6-175.7-154.400113.9F232 K233 K243 I252 K256F232-E237 HydrophobicContact CD1-CG 3.84Å; F232-E237 VanDerWaalsContact CD1-OE1 3.24Å; F232-E237 WeakPolarHBondContact CD1-OE1 3.35Å; F232-E237 HydrophobicContact CE1-CG 3.54Å; F232-E237 WeakPolarHBondContact CE1-OE1 3.41Å; F232-E237 HydrophobicContact CZ-CG 4.2Å; F232-E237 PolarHBondContact O-N 3.03Å; K233-E237 WeakPolarHBondContact CG-OE1 3.44Å; E237-K243 WeakPolarHBondContact O-CE 3.27Å; E237-I252 HydrophobicContact CG-CG2 4.17Å; E237-K256 WeakPolarHBondContact OE1-CE 2.96Å; E237-K256 IonicContact OE1-NZ 3.73Å; E237-K256 PolarHBondContact OE1-NZ 3.47Å; E237-K256 WeakPolarHBondContact OE2-CE 3.48Å; E237-K256 IonicContact OE2-NZ 3.41Å; E237-K256 PolarHBondContact OE2-NZ 3.31Å
238K93.1Very high93Very high130 Ų13070.7 Ų70.757%0.56535%0.35SS*.THydrogen-bonded Turntrans-86.9-10.6-176.3-71.4-176.7-175176.80113.3V236 K243V236-K238 VanDerWaalsContact C-N 3.26Å; V236-K238 PolarHBondContact O-N 3.42Å; K238-K243 PolarHBondContact O-NZ 2.9Å
239D94.6Very high92.8Very high21 Ų2171.7 Ų71.711%0.11235%0.352CS..  trans-62.6137.3-177.9-167-86.3000112M201 R205 V236 L241 I242 K243M201-D239 WeakPolarHBondContact CE-OD1 3.19Å; R205-D239 IonicContact CZ-OD2 3.52Å; R205-D239 IonicContact NH2-OD2 2.7Å; R205-D239 PolarHBondContact NH2-OD2 2.86Å; V236-D239 WeakPolarHBondContact O-CB 3.38Å; V236-D239 PolarHBondContact O-N 3.04Å; D239-L241 WeakPolarHBondContact OD1-CB 3.35Å; D239-L241 PolarHBondContact OD1-N 2.99Å; D239-I242 HydrophobicContact CB-CB 4.22Å; D239-I242 HydrophobicContact CB-CD1 3.84Å; D239-I242 HydrophobicContact CB-CG1 4.04Å; D239-K243 WeakPolarHBondContact O-CG 3.46Å; D239-K243 PolarHBondContact O-N 2.89Å; D239-K243 VanDerWaalsContact O-N 3.13Å
240E92.8Very high92.8Very high166 Ų16672.7 Ų72.778%0.77636%0.355SS*.Hα-helixtrans-69.1-36.9-175.6-63.9179.8169.800112.7K243 A244E240-K243 PolarHBondContact O-N 2.92Å; E240-A244 WeakPolarHBondContact O-CB 3.21Å; E240-A244 PolarHBondContact O-N 2.62Å; E240-A244 VanDerWaalsContact O-N 3.11Å
241L91.1Very high92.8Very high41 Ų4166.8 Ų66.822%0.21533%0.329CS..Hα-helixtrans-69.7-38.5-179.4-62.4174.7000110.7M201 I204 R205 L215 D239 A244M201-L241 HydrophobicContact CE-CD1 4.09Å; I204-L241 HydrophobicContact CG2-CD1 3.89Å; R205-L241 HydrophobicContact CG-CD1 4.22Å; L215-L241 HydrophobicContact CD2-CB 4.11Å; D239-L241 WeakPolarHBondContact OD1-CB 3.35Å; D239-L241 PolarHBondContact OD1-N 2.99Å; L241-A244 PolarHBondContact O-N 2.78Å
242I92.3Very high92.7Very high1 Ų165.4 Ų65.41%0.00532%0.324CS..Hα-helixtrans-68.6-40178.4-61.8174.5000110.6F197 L215 F219 V236 D239 A244 D245 L248 I252F197-I242 HydrophobicContact CE2-CD1 4.27Å; F197-I242 HydrophobicContact CZ-CD1 4.09Å; L215-I242 HydrophobicContact CD2-CG1 4.4Å; F219-I242 HydrophobicContact CE1-CD1 4.32Å; F219-I242 HydrophobicContact CE1-CG1 4.47Å; F219-I242 HydrophobicContact CZ-CD1 3.7Å; F219-I242 HydrophobicContact CZ-CG1 3.92Å; F219-I242 HydrophobicContact CZ-CG2 4.36Å; V236-I242 HydrophobicContact CG1-CD1 3.8Å; V236-I242 VanDerWaalsContact O-CD1 3.3Å; V236-I242 WeakPolarHBondContact O-CD1 3.27Å; D239-I242 HydrophobicContact CB-CB 4.22Å; D239-I242 HydrophobicContact CB-CD1 3.84Å; D239-I242 HydrophobicContact CB-CG1 4.04Å; I242-A244 VanDerWaalsContact C-N 3.32Å; I242-A244 PolarHBondContact O-N 3.26Å; I242-D245 PolarHBondContact O-N 2.97Å; I242-L248 HydrophobicContact CG2-CB 4.23Å; I242-I252 HydrophobicContact CG2-CD1 4.17Å; I242-I252 HydrophobicContact CG2-CG1 3.85Å
243K92.8Very high92.5Very high114 Ų11471.5 Ų71.550%0.49635%0.351SS..Hα-helixtrans-69.7-27.5177.7-76.8178.2179.2169.30114.1E237 K238 D239 E240 D245E237-K243 WeakPolarHBondContact O-CE 3.27Å; K238-K243 PolarHBondContact O-NZ 2.9Å; D239-K243 WeakPolarHBondContact O-CG 3.46Å; D239-K243 PolarHBondContact O-N 2.89Å; D239-K243 VanDerWaalsContact O-N 3.13Å; E240-K243 PolarHBondContact O-N 2.92Å; K243-D245 VanDerWaalsContact C-N 3.27Å
244A90.8Very high92.5Very high85 Ų8568.5 Ų68.570%0.70234%0.34SS*.Hα-helixtrans-73.8-20.2-179.600000112.9E240 L241 I242E240-A244 WeakPolarHBondContact O-CB 3.21Å; E240-A244 PolarHBondContact O-N 2.62Å; E240-A244 VanDerWaalsContact O-N 3.11Å; L241-A244 PolarHBondContact O-N 2.78Å; I242-A244 VanDerWaalsContact C-N 3.32Å; I242-A244 PolarHBondContact O-N 3.26Å
245D91.6Very high92.5Very high44 Ų4463.9 Ų63.924%0.23532%0.319CS..  trans-103.3115-176.6-169.4-31.7000112.1I242 K243 E247 L248 L249I242-D245 PolarHBondContact O-N 2.97Å; K243-D245 VanDerWaalsContact C-N 3.27Å; D245-E247 VanDerWaalsContact C-N 3.33Å; D245-E247 PolarHBondContact O-N 2.81Å; D245-E247 PolarHBondContact OD1-N 3.24Å; D245-L248 HydrophobicContact CB-CB 4.03Å; D245-L248 HydrophobicContact CB-CD1 3.7Å; D245-L248 HydrophobicContact CB-CG 3.82Å; D245-L248 PolarHBondContact O-N 3.48Å; D245-L249 WeakPolarHBondContact O-CG 3.3Å; D245-L249 PolarHBondContact O-N 2.88Å; D245-L249 VanDerWaalsContact O-N 3.15Å
246P91.1Very high92.4Very high88 Ų8862.6 Ų62.657%0.57131%0.314SS*.Hα-helixtrans-61.1-32.5178.1-23.534.3000115.1L249 K250P246-L249 PolarHBondContact O-N 3.36Å; P246-K250 PolarHBondContact O-N 3.17Å
247E91.6Very high92.2Very high96 Ų9666.5 Ų66.545%0.44933%0.332SS..Hα-helixtrans-72.9-39.9-179.7-66.2-54.9141.400110.8D245 L249 K250 K251D245-E247 VanDerWaalsContact C-N 3.33Å; D245-E247 PolarHBondContact O-N 2.81Å; D245-E247 PolarHBondContact OD1-N 3.24Å; E247-L249 VanDerWaalsContact C-N 3.31Å; E247-L249 PolarHBondContact O-N 3.26Å; E247-K250 WeakPolarHBondContact O-CB 3.49Å; E247-K250 PolarHBondContact O-N 2.73Å; E247-K250 VanDerWaalsContact O-N 3.11Å; E247-K250 IonicContact OE1-NZ 3.16Å; E247-K250 PolarHBondContact OE1-NZ 2.89Å; E247-K250 WeakPolarHBondContact OE2-CD 3.32Å; E247-K250 IonicContact OE2-NZ 3.48Å; E247-K250 PolarHBondContact OE2-NZ 2.7Å; E247-K251 PolarHBondContact O-N 3.34Å; E247-K251 VanDerWaalsContact O-N 3.12Å
248L92.1Very high92.1Very high0 Ų064.7 Ų64.70%032%0.324CS..Hα-helixtrans-62.6-39.2173.3-64.6-179.3000111.8L215 D216 F219 I242 D245 K250 K251 I252L215-L248 HydrophobicContact CB-CD1 4.21Å; L215-L248 HydrophobicContact CD2-CD1 3.26Å; L215-L248 HydrophobicContact CG-CD1 3.46Å; L215-L248 VanDerWaalsContact CG-CD1 3.46Å; D216-L248 HydrophobicContact CB-CD2 4.23Å; F219-L248 HydrophobicContact CD1-CD2 4.15Å; F219-L248 HydrophobicContact CD2-CD2 3.8Å; F219-L248 HydrophobicContact CE1-CD2 4.27Å; F219-L248 HydrophobicContact CE2-CD2 3.89Å; F219-L248 HydrophobicContact CG-CD2 3.94Å; F219-L248 HydrophobicContact CZ-CD2 4.13Å; I242-L248 HydrophobicContact CG2-CB 4.23Å; D245-L248 HydrophobicContact CB-CB 4.03Å; D245-L248 HydrophobicContact CB-CD1 3.7Å; D245-L248 HydrophobicContact CB-CG 3.82Å; D245-L248 PolarHBondContact O-N 3.48Å; L248-K250 VanDerWaalsContact C-N 3.25Å; L248-K250 PolarHBondContact O-N 2.82Å; L248-K251 PolarHBondContact O-N 2.61Å; L248-K251 VanDerWaalsContact O-N 3.11Å; L248-I252 VanDerWaalsContact O-CG1 3.29Å; L248-I252 WeakPolarHBondContact O-CG1 3.33Å; L248-I252 PolarHBondContact O-N 2.82Å
249L92.5Very high91.9Very high82 Ų8260.9 Ų60.943%0.42931%0.307SS..Hα-helixtrans-60.2-34.6175-73176.9000112.6D245 P246 E247 K253D245-L249 WeakPolarHBondContact O-CG 3.3Å; D245-L249 PolarHBondContact O-N 2.88Å; D245-L249 VanDerWaalsContact O-N 3.15Å; P246-L249 PolarHBondContact O-N 3.36Å; E247-L249 VanDerWaalsContact C-N 3.31Å; E247-L249 PolarHBondContact O-N 3.26Å; L249-K253 PolarHBondContact O-N 3.13Å; L249-K253 VanDerWaalsContact O-N 3.07Å
250K92.5Very high91.5Very high116 Ų11663.7 Ų63.750%0.50433%0.333SS..Hα-helixtrans-65.6-46.9172-63.8174.9-164.5162.20111P246 E247 L248 I252 K253 V254P246-K250 PolarHBondContact O-N 3.17Å; E247-K250 WeakPolarHBondContact O-CB 3.49Å; E247-K250 PolarHBondContact O-N 2.73Å; E247-K250 VanDerWaalsContact O-N 3.11Å; E247-K250 IonicContact OE1-NZ 3.16Å; E247-K250 PolarHBondContact OE1-NZ 2.89Å; E247-K250 WeakPolarHBondContact OE2-CD 3.32Å; E247-K250 IonicContact OE2-NZ 3.48Å; E247-K250 PolarHBondContact OE2-NZ 2.7Å; L248-K250 VanDerWaalsContact C-N 3.25Å; L248-K250 PolarHBondContact O-N 2.82Å; K250-I252 VanDerWaalsContact C-N 3.34Å; K250-I252 PolarHBondContact O-N 3.46Å; K250-K253 WeakPolarHBondContact O-CB 3.41Å; K250-K253 PolarHBondContact O-N 2.84Å; K250-K253 VanDerWaalsContact O-N 3.15Å; K250-V254 WeakPolarHBondContact O-CG2 3.24Å; K250-V254 PolarHBondContact O-N 3.47Å; K250-V254 VanDerWaalsContact O-N 3.11Å
251K93.1Very high91.2Very high23 Ų2358.7 Ų58.710%0.133%0.326CS..Hα-helixtrans-58.9-44176.1-66.6-171.9-175.6-176.10111.4D216 F219 E220 E247 L248 K253 V254 I255 Y283D216-K251 PolarHBondContact O-NZ 2.76Å; D216-K251 WeakPolarHBondContact OD1-CE 3.32Å; D216-K251 IonicContact OD1-NZ 3.99Å; D216-K251 PolarHBondContact OD1-NZ 2.9Å; D216-K251 IonicContact OD2-NZ 3.57Å; D216-K251 PolarHBondContact OD2-NZ 2.88Å; D216-K251 VanDerWaalsContact OD2-NZ 3.11Å; F219-K251 HydrophobicContact CB-CD 4.32Å; F219-K251 HydrophobicContact CD2-CB 4.48Å; F219-K251 HydrophobicContact CD2-CD 4.33Å; E220-K251 IonicContact OE1-NZ 2.92Å; E220-K251 PolarHBondContact OE1-NZ 3.49Å; E247-K251 PolarHBondContact O-N 3.34Å; E247-K251 VanDerWaalsContact O-N 3.12Å; L248-K251 PolarHBondContact O-N 2.61Å; L248-K251 VanDerWaalsContact O-N 3.11Å; K251-K253 VanDerWaalsContact C-N 3.3Å; K251-K253 PolarHBondContact O-N 2.58Å; K251-V254 PolarHBondContact O-N 3.42Å; K251-V254 VanDerWaalsContact O-N 3.11Å; K251-I255 VanDerWaalsContact O-CG1 3.29Å; K251-I255 WeakPolarHBondContact O-CG1 3.38Å; K251-I255 PolarHBondContact O-N 3.11Å; K251-Y283 HydrophobicContact CB-CE2 4.46Å; K251-Y283 HydrophobicContact CD-CD1 3.94Å; K251-Y283 HydrophobicContact CD-CE1 3.8Å; K251-Y283 HydrophobicContact CG-CD1 4.49Å; K251-Y283 HydrophobicContact CG-CE1 4.02Å
252I93.1Very high91Very high8 Ų863.8 Ų63.84%0.04135%0.347CS..Hα-helixtrans-58.5-41175.9-68.3-66.6000111.6F219 F232 V236 E237 I242 L248 K250 I255 K256F219-I252 HydrophobicContact CE2-CD1 4.12Å; F232-I252 HydrophobicContact CE1-CG2 4.45Å; F232-I252 HydrophobicContact CE2-CD1 3.92Å; F232-I252 HydrophobicContact CZ-CD1 3.65Å; F232-I252 HydrophobicContact CZ-CG2 4.13Å; V236-I252 HydrophobicContact CG1-CD1 3.74Å; E237-I252 HydrophobicContact CG-CG2 4.17Å; I242-I252 HydrophobicContact CG2-CD1 4.17Å; I242-I252 HydrophobicContact CG2-CG1 3.85Å; L248-I252 VanDerWaalsContact O-CG1 3.29Å; L248-I252 WeakPolarHBondContact O-CG1 3.33Å; L248-I252 PolarHBondContact O-N 2.82Å; K250-I252 VanDerWaalsContact C-N 3.34Å; K250-I252 PolarHBondContact O-N 3.46Å; I252-I255 HydrophobicContact CD1-CD1 4.41Å; I252-I255 PolarHBondContact O-N 3.49Å; I252-K256 HydrophobicContact CG2-CD 4.42Å; I252-K256 WeakPolarHBondContact O-CG 3.41Å; I252-K256 PolarHBondContact O-N 3.21Å
253K91.9Very high90.7Very high130 Ų13067.6 Ų67.657%0.56537%0.366SS*.Hα-helixtrans-61.6-44.8175.3-172.5-175.2174.1-169.80111.6L249 K250 K251 K256 E257L249-K253 PolarHBondContact O-N 3.13Å; L249-K253 VanDerWaalsContact O-N 3.07Å; K250-K253 WeakPolarHBondContact O-CB 3.41Å; K250-K253 PolarHBondContact O-N 2.84Å; K250-K253 VanDerWaalsContact O-N 3.15Å; K251-K253 VanDerWaalsContact C-N 3.3Å; K251-K253 PolarHBondContact O-N 2.58Å; K253-K256 WeakPolarHBondContact O-CB 3.39Å; K253-K256 PolarHBondContact O-N 2.87Å; K253-E257 VanDerWaalsContact CE-OE1 3.32Å; K253-E257 WeakPolarHBondContact CE-OE1 3.32Å; K253-E257 WeakPolarHBondContact O-CG 3.35Å; K253-E257 PolarHBondContact O-N 3.31Å
254V93.1Very high90.2Very high38 Ų3864.4 Ų64.423%0.2336%0.358CS..Hα-helixtrans-63.1-42.1176.8178.70000111.2K250 K251 K256 E257 A258 P264 Y283 L284K250-V254 WeakPolarHBondContact O-CG2 3.24Å; K250-V254 PolarHBondContact O-N 3.47Å; K250-V254 VanDerWaalsContact O-N 3.11Å; K251-V254 PolarHBondContact O-N 3.42Å; K251-V254 VanDerWaalsContact O-N 3.11Å; V254-K256 VanDerWaalsContact C-N 3.32Å; V254-K256 PolarHBondContact O-N 3.35Å; V254-E257 PolarHBondContact O-N 3.13Å; V254-A258 PolarHBondContact O-N 2.76Å; V254-P264 HydrophobicContact CG1-CG 4.2Å; V254-Y283 HydrophobicContact CB-CE2 4.38Å; V254-Y283 HydrophobicContact CG1-CE2 4.14Å; V254-L284 HydrophobicContact CG1-CD1 3.88Å; V254-L284 HydrophobicContact CG1-CD2 4.41Å
255I92.5Very high89.4Confident0 Ų069.4 Ų69.40%037%0.366CS..Hα-helixtrans-61.6-41177-66.8160.6000111F224 F232 K251 I252 A258 F259 Y283 L284F224-I255 HydrophobicContact CB-CD1 4.03Å; F224-I255 HydrophobicContact CB-CG1 4.32Å; F224-I255 HydrophobicContact CB-CG2 3.84Å; F224-I255 HydrophobicContact CD1-CD1 4.27Å; F224-I255 HydrophobicContact CD2-CD1 3.71Å; F224-I255 HydrophobicContact CE2-CD1 4.19Å; F224-I255 HydrophobicContact CG-CD1 3.74Å; F232-I255 HydrophobicContact CD2-CG2 4.34Å; F232-I255 HydrophobicContact CE1-CG2 4.28Å; F232-I255 HydrophobicContact CE2-CB 4.36Å; F232-I255 HydrophobicContact CE2-CD1 4.42Å; F232-I255 HydrophobicContact CE2-CG2 3.55Å; F232-I255 HydrophobicContact CZ-CB 4.02Å; F232-I255 HydrophobicContact CZ-CG2 3.51Å; K251-I255 VanDerWaalsContact O-CG1 3.29Å; K251-I255 WeakPolarHBondContact O-CG1 3.38Å; K251-I255 PolarHBondContact O-N 3.11Å; I252-I255 HydrophobicContact CD1-CD1 4.41Å; I252-I255 PolarHBondContact O-N 3.49Å; I255-A258 WeakPolarHBondContact O-CB 3.46Å; I255-A258 PolarHBondContact O-N 3.48Å; I255-F259 HydrophobicContact CG2-CD2 3.82Å; I255-F259 HydrophobicContact CG2-CE2 3.51Å; I255-F259 HydrophobicContact CG2-CZ 4.49Å; I255-F259 VanDerWaalsContact O-CD2 3.25Å; I255-F259 WeakPolarHBondContact O-CD2 3.49Å; I255-F259 PolarHBondContact O-N 3Å; I255-Y283 HydrophobicContact CD1-CD2 3.97Å; I255-Y283 HydrophobicContact CG1-CD2 3.69Å; I255-Y283 HydrophobicContact CG1-CE2 4.28Å; I255-L284 HydrophobicContact CG1-CD2 3.95Å
256K91.6Very high88.2Confident91 Ų9172.4 Ų72.440%0.39638%0.377SS..Hα-helixtrans-60.9-44.4174.5-75174.7171.8-174.30112.5F232 E237 I252 K253 V254 A258 F259 A260F232-K256 HydrophobicContact CE1-CG 4.03Å; E237-K256 WeakPolarHBondContact OE1-CE 2.96Å; E237-K256 IonicContact OE1-NZ 3.73Å; E237-K256 PolarHBondContact OE1-NZ 3.47Å; E237-K256 WeakPolarHBondContact OE2-CE 3.48Å; E237-K256 IonicContact OE2-NZ 3.41Å; E237-K256 PolarHBondContact OE2-NZ 3.31Å; I252-K256 HydrophobicContact CG2-CD 4.42Å; I252-K256 WeakPolarHBondContact O-CG 3.41Å; I252-K256 PolarHBondContact O-N 3.21Å; K253-K256 WeakPolarHBondContact O-CB 3.39Å; K253-K256 PolarHBondContact O-N 2.87Å; V254-K256 VanDerWaalsContact C-N 3.32Å; V254-K256 PolarHBondContact O-N 3.35Å; K256-A258 VanDerWaalsContact C-N 3.27Å; K256-A258 PolarHBondContact O-N 3.39Å; K256-F259 PolarHBondContact O-N 3.17Å; K256-A260 PolarHBondContact O-N 3.42Å; K256-A260 VanDerWaalsContact O-N 3.12Å
257E91.2Very high86.7Confident82 Ų8277.1 Ų77.138%0.38338%0.384SS..Hα-helixtrans-62.3-39.1175.9-71.4174.5-170.300110.8K253 V254 A260 G261 K262K253-E257 VanDerWaalsContact CE-OE1 3.32Å; K253-E257 WeakPolarHBondContact CE-OE1 3.32Å; K253-E257 WeakPolarHBondContact O-CG 3.35Å; K253-E257 PolarHBondContact O-N 3.31Å; V254-E257 PolarHBondContact O-N 3.13Å; E257-A260 CarbonylContact O-C 3.56Å; E257-A260 WeakPolarHBondContact O-CA 3.49Å; E257-A260 WeakPolarHBondContact O-CB 3.24Å; E257-A260 PolarHBondContact O-N 2.85Å; E257-A260 VanDerWaalsContact O-N 3.09Å; E257-G261 PolarHBondContact O-N 3.22Å; E257-K262 CarbonylContact C-O 3.49Å; E257-K262 HydrophobicContact CB-CB 4.21Å; E257-K262 WeakPolarHBondContact O-CB 3.18Å; E257-K262 PolarHBondContact O-N 3.01Å
258A89.3Confident84.8Confident3 Ų382.1 Ų82.13%0.02540%0.404CS..Hα-helixtrans-65.6-38.2175.700000113.2V254 I255 K256 A260 G261 K262 L263 L284V254-A258 PolarHBondContact O-N 2.76Å; I255-A258 WeakPolarHBondContact O-CB 3.46Å; I255-A258 PolarHBondContact O-N 3.48Å; K256-A258 VanDerWaalsContact C-N 3.27Å; K256-A258 PolarHBondContact O-N 3.39Å; A258-A260 PolarHBondContact O-N 3.03Å; A258-G261 PolarHBondContact O-N 3.44Å; A258-K262 WeakPolarHBondContact CA-O 3.19Å; A258-K262 PolarHBondContact N-O 3.32Å; A258-L263 HydrophobicContact CB-CD2 3.83Å; A258-L284 HydrophobicContact CB-CD2 3.8Å
259F88.1Confident82.8Confident50 Ų5083.9 Ų83.922%0.21942%0.422CS..Hα-helixtrans-61.4-35.2170.4-80.2-62.8000111.9F224 E229 F232 I255 K256 G261F224-F259 WeakPolarHBondContact O-CZ 3.32Å; E229-F259 HydrophobicContact CG-CD1 3.78Å; E229-F259 HydrophobicContact CG-CE1 4.09Å; E229-F259 HydrophobicContact CG-CG 4.17Å; F232-F259 HydrophobicContact CB-CE2 4.22Å; F232-F259 HydrophobicContact CB-CZ 4.39Å; F232-F259 HydrophobicContact CD1-CD2 4.44Å; F232-F259 AromaticContact CD1-CE2 3.93Å; F232-F259 HydrophobicContact CD1-CE2 3.93Å; F232-F259 AromaticContact CD2-CE2 3.98Å; F232-F259 HydrophobicContact CD2-CE2 3.98Å; F232-F259 HydrophobicContact CE1-CE2 4.26Å; F232-F259 HydrophobicContact CE2-CE2 4.32Å; F232-F259 AromaticContact CG-CE2 3.77Å; F232-F259 HydrophobicContact CG-CE2 3.77Å; F232-F259 HydrophobicContact CG-CZ 4.36Å; F232-F259 HydrophobicContact CZ-CE2 4.45Å; I255-F259 HydrophobicContact CG2-CD2 3.82Å; I255-F259 HydrophobicContact CG2-CE2 3.51Å; I255-F259 HydrophobicContact CG2-CZ 4.49Å; I255-F259 VanDerWaalsContact O-CD2 3.25Å; I255-F259 WeakPolarHBondContact O-CD2 3.49Å; I255-F259 PolarHBondContact O-N 3Å; K256-F259 PolarHBondContact O-N 3.17Å; F259-G261 PolarHBondContact O-N 3.1Å
260A87.1Confident80.4Confident79 Ų7986.5 Ų86.565%0.65345%0.447SS*.THydrogen-bonded Turntrans-78.97.4173.500000114K256 E257 A258K256-A260 PolarHBondContact O-N 3.42Å; K256-A260 VanDerWaalsContact O-N 3.12Å; E257-A260 CarbonylContact O-C 3.56Å; E257-A260 WeakPolarHBondContact O-CA 3.49Å; E257-A260 WeakPolarHBondContact O-CB 3.24Å; E257-A260 PolarHBondContact O-N 2.85Å; E257-A260 VanDerWaalsContact O-N 3.09Å; A258-A260 PolarHBondContact O-N 3.03Å
261G85.1Confident78.2Confident61 Ų6183.3 Ų83.363%0.62945%0.447SS*.THydrogen-bonded Turntrans84.85.3177.800000115.6E257 A258 F259E257-G261 PolarHBondContact O-N 3.22Å; A258-G261 PolarHBondContact O-N 3.44Å; F259-G261 PolarHBondContact O-N 3.1Å
262K88.2Confident75.7Confident149 Ų14990.7 Ų90.765%0.64849%0.488SS*.  trans-97.3104.4177.2-64.1-179.8-178.8-179.70110E257 A258E257-K262 CarbonylContact C-O 3.49Å; E257-K262 HydrophobicContact CB-CB 4.21Å; E257-K262 WeakPolarHBondContact O-CB 3.18Å; E257-K262 PolarHBondContact O-N 3.01Å; A258-K262 WeakPolarHBondContact CA-O 3.19Å; A258-K262 PolarHBondContact N-O 3.32Å
263L84.4Confident73.2Confident80 Ų8097 Ų9742%0.41952%0.522SS..PPolyproline II helixtrans-94.5144.5176.7-68.8169.2000110.9A258 L280A258-L263 HydrophobicContact CB-CD2 3.83Å; L263-L280 HydrophobicContact CD1-CD1 4.37Å; L263-L280 HydrophobicContact CD2-CD1 4.38Å
264P82.9Confident70.7Confident48 Ų48101 Ų10131%0.31254%0.542SS..PPolyproline II helixtrans-65.8156.3173.329-33.9000110.9V254 K266 L280 L284V254-P264 HydrophobicContact CG1-CG 4.2Å; P264-K266 PolarHBondContact O-N 3.04Å; P264-L280 HydrophobicContact CG-CD2 4.25Å; P264-L284 VanDerWaalsContact CD-CD1 3.46Å; P264-L284 HydrophobicContact CG-CD1 3.46Å; P264-L284 VanDerWaalsContact CG-CD1 3.46Å
265E73.7Confident68.3Low190 Ų190102.7 Ų102.789%0.88857%0.567SS**PPolyproline II helixtrans-59133.2174-69.1-17416700110.7R267E265-R267 PolarHBondContact O-N 2.82Å
266K67.4Low65.9Low106 Ų106107.4 Ų107.446%0.46159%0.593SS.*PPolyproline II helixtrans-58.8127.7178.2-75.4-178.8165.4-1680109.7P264 K268 E277 G278 L280P264-K266 PolarHBondContact O-N 3.04Å; K266-K268 PolarHBondContact O-N 3.06Å; K266-E277 IonicContact NZ-OE2 2.87Å; K266-E277 PolarHBondContact NZ-OE2 3.34Å; K266-G278 VanDerWaalsContact CB-O 3.27Å; K266-G278 WeakPolarHBondContact CB-O 3.08Å; K266-G278 WeakPolarHBondContact CD-O 3.43Å; K266-G278 WeakPolarHBondContact CG-O 3.39Å; K266-L280 HydrophobicContact CG-CD2 4.46Å
267R58.9Low64Low187 Ų187110.1 Ų110.171%0.70661%0.607SS**BIsolated β-bridgetrans-70.4127.7175.9-72-178.3177.6177.2-0.2109.1E265 G269 G278E265-R267 PolarHBondContact O-N 2.82Å; R267-G269 PolarHBondContact O-N 3.46Å; R267-G278 CarbonylContact O-C 3.6Å; R267-G278 WeakPolarHBondContact O-CA 3.46Å
268K52.4Low62.3Low202 Ų202106.7 Ų106.788%0.87859%0.593SS**PPolyproline II helixtrans-64.4122.4170.5-73.2-173174.9-173.90109.1K266K266-K268 PolarHBondContact O-N 3.06Å
269G49.2Very low61.3Low36 Ų36111 Ų11137%0.37162%0.62SS.*PPolyproline II helixtrans-60.6143173.700000111R267 G271R267-G269 PolarHBondContact O-N 3.46Å; G269-G271 PolarHBondContact O-N 3.21Å; G269-G271 VanDerWaalsContact O-N 3.14Å
270S43.2Very low61Low137 Ų137110.9 Ų110.996%0.95862%0.621SS**SBendtrans-84.660.6172.758.30000110.4
271G45.5Very low61Low50 Ų50108.3 Ų108.352%0.51560%0.597SS.*SBendtrans-148.4127.2176.400000109.6G269 D273G269-G271 PolarHBondContact O-N 3.21Å; G269-G271 VanDerWaalsContact O-N 3.14Å; G271-D273 PolarHBondContact O-N 2.9Å
272D40.3Very low61Low178 Ų178106.4 Ų106.495%0.95258%0.578SS**  trans-74.652.7178.5-69.1-36.1000111.7
273D40.5Very low61.2Low140 Ų140100.4 Ų100.475%0.74955%0.552SS**  trans-110.2113.9167.4-92.6-30.9000109.1G271 G275G271-D273 PolarHBondContact O-N 2.9Å; D273-G275 VanDerWaalsContact C-N 3.28Å; D273-G275 PolarHBondContact O-N 3.28Å
274E40.9Very low61.5Low214 Ų21496.6 Ų96.6100%153%0.532SS*.THydrogen-bonded Turntrans-65.784.9174.7-72.4-172.3154.900110.2
275G42.5Very low61.9Low73 Ų7396.7 Ų96.775%0.75353%0.53SS*.THydrogen-bonded Turntrans169.9-7.5176.500000115.8D273 E277D273-G275 VanDerWaalsContact C-N 3.28Å; D273-G275 PolarHBondContact O-N 3.28Å; G275-E277 PolarHBondContact O-N 3.48Å; G275-E277 VanDerWaalsContact O-N 3.09Å
276D42.1Very low62.6Low99 Ų9991.6 Ų91.653%0.52951%0.508SS..  trans-8194.9-171.9-156.626.1000112.3G278D276-G278 PolarHBondContact O-N 2.76Å
277E50.3Low63.8Low148 Ų14889.6 Ų89.669%0.69251%0.508SS*.  trans-59.6106.5161.9-78.8-164.9179.600108.6K266 G275 T279K266-E277 IonicContact NZ-OE2 2.87Å; K266-E277 PolarHBondContact NZ-OE2 3.34Å; G275-E277 PolarHBondContact O-N 3.48Å; G275-E277 VanDerWaalsContact O-N 3.09Å; E277-T279 PolarHBondContact O-N 3.04Å
278G55.8Low65.4Low10 Ų1088.4 Ų88.410%0.10350%0.503CS..  trans-42.1137.8-174.500000115.5K266 R267 D276K266-G278 VanDerWaalsContact CB-O 3.27Å; K266-G278 WeakPolarHBondContact CB-O 3.08Å; K266-G278 WeakPolarHBondContact CD-O 3.43Å; K266-G278 WeakPolarHBondContact CG-O 3.39Å; R267-G278 CarbonylContact O-C 3.6Å; R267-G278 WeakPolarHBondContact O-CA 3.46Å; D276-G278 PolarHBondContact O-N 2.76Å
279T69.3Low67.3Low94 Ų9478.8 Ų78.858%0.57746%0.461SS*.BIsolated β-bridgetrans-82.6137.5-173.343.70000111.6E277E277-T279 PolarHBondContact O-N 3.04Å
280L81.4Confident69.2Low48 Ų4880.6 Ų80.625%0.25146%0.458SS..PPolyproline II helixtrans-70.9153.2169.9-70.6172.7000109.7L263 P264 K266 L284L263-L280 HydrophobicContact CD1-CD1 4.37Å; L263-L280 HydrophobicContact CD2-CD1 4.38Å; P264-L280 HydrophobicContact CG-CD2 4.25Å; K266-L280 HydrophobicContact CG-CD2 4.46Å; L280-L284 HydrophobicContact CB-CB 4.39Å
281P86.4Confident71.3Confident24 Ų2474.1 Ų74.116%0.15641%0.412CS..PPolyproline II helixtrans-52.2148.1169.1-23.732000112.1Y283 L284 N285P281-Y283 VanDerWaalsContact C-N 3.26Å; P281-Y283 HydrophobicContact CB-CD1 3.77Å; P281-Y283 HydrophobicContact CB-CD2 4.47Å; P281-Y283 HydrophobicContact CB-CE1 3.29Å; P281-Y283 HydrophobicContact CB-CE2 4.07Å; P281-Y283 HydrophobicContact CB-CG 4.33Å; P281-Y283 VanDerWaalsContact CB-CZ 3.44Å; P281-Y283 HydrophobicContact CG-CE1 4.15Å; P281-Y283 PolarHBondContact O-N 3.16Å; P281-L284 HydrophobicContact CG-CD1 4.4Å; P281-L284 WeakPolarHBondContact O-CA 3.4Å; P281-L284 WeakPolarHBondContact O-CB 3.37Å; P281-L284 PolarHBondContact O-N 2.79Å; P281-N285 PolarHBondContact O-N 2.76Å
282G86.8Confident73.6Confident22 Ų2273.1 Ų73.123%0.22739%0.394CS..G310 helixtrans-63.1-33.3-173.100000112.8E220 L284 N285E220-G282 CarbonylContact O-C 3.57Å; E220-G282 VanDerWaalsContact O-C 3.23Å; E220-G282 WeakPolarHBondContact O-CA 3.39Å; E220-G282 PolarHBondContact OE2-N 2.86Å; G282-L284 PolarHBondContact O-N 3.2Å; G282-L284 VanDerWaalsContact O-N 3.14Å; G282-N285 WeakPolarHBondContact O-CB 3.38Å; G282-N285 PolarHBondContact O-N 3.44Å
283Y90.6Very high75.9Confident23 Ų2368.2 Ų68.29%0.0937%0.365CS..G310 helixtrans-65.7-13.7173.860.2-96.4000114.5F219 E220 I222 F224 K251 V254 I255 P281F219-Y283 VanDerWaalsContact O-CB 3.3Å; F219-Y283 WeakPolarHBondContact O-CB 3.39Å; E220-Y283 WeakPolarHBondContact OE1-CD1 3.46Å; E220-Y283 VanDerWaalsContact OE1-CE1 3.24Å; E220-Y283 WeakPolarHBondContact OE1-CE1 3.21Å; E220-Y283 WeakPolarHBondContact OE2-CD1 3.38Å; I222-Y283 WeakPolarHBondContact O-CA 3.29Å; F224-Y283 PolarHBondContact N-O 2.77Å; K251-Y283 HydrophobicContact CB-CE2 4.46Å; K251-Y283 HydrophobicContact CD-CD1 3.94Å; K251-Y283 HydrophobicContact CD-CE1 3.8Å; K251-Y283 HydrophobicContact CG-CD1 4.49Å; K251-Y283 HydrophobicContact CG-CE1 4.02Å; V254-Y283 HydrophobicContact CB-CE2 4.38Å; V254-Y283 HydrophobicContact CG1-CE2 4.14Å; I255-Y283 HydrophobicContact CD1-CD2 3.97Å; I255-Y283 HydrophobicContact CG1-CD2 3.69Å; I255-Y283 HydrophobicContact CG1-CE2 4.28Å; P281-Y283 VanDerWaalsContact C-N 3.26Å; P281-Y283 HydrophobicContact CB-CD1 3.77Å; P281-Y283 HydrophobicContact CB-CD2 4.47Å; P281-Y283 HydrophobicContact CB-CE1 3.29Å; P281-Y283 HydrophobicContact CB-CE2 4.07Å; P281-Y283 HydrophobicContact CB-CG 4.33Å; P281-Y283 VanDerWaalsContact CB-CZ 3.44Å; P281-Y283 HydrophobicContact CG-CE1 4.15Å; P281-Y283 PolarHBondContact O-N 3.16Å
284L92.1Very high78.4Confident0 Ų062.3 Ų62.30%034%0.337CS..G310 helixtrans-103.34.6173.1-59.6-175.3000113R225 V254 I255 A258 P264 L280 P281 G282 N286R225-L284 WeakPolarHBondContact CD-O 3.13Å; V254-L284 HydrophobicContact CG1-CD1 3.88Å; V254-L284 HydrophobicContact CG1-CD2 4.41Å; I255-L284 HydrophobicContact CG1-CD2 3.95Å; A258-L284 HydrophobicContact CB-CD2 3.8Å; P264-L284 VanDerWaalsContact CD-CD1 3.46Å; P264-L284 HydrophobicContact CG-CD1 3.46Å; P264-L284 VanDerWaalsContact CG-CD1 3.46Å; L280-L284 HydrophobicContact CB-CB 4.39Å; P281-L284 HydrophobicContact CG-CD1 4.4Å; P281-L284 WeakPolarHBondContact O-CA 3.4Å; P281-L284 WeakPolarHBondContact O-CB 3.37Å; P281-L284 PolarHBondContact O-N 2.79Å; G282-L284 PolarHBondContact O-N 3.2Å; G282-L284 VanDerWaalsContact O-N 3.14Å; L284-N286 PolarHBondContact O-N 3.15Å
285N89.8Confident80.8Confident50 Ų5055.4 Ų55.427%0.26730%0.303SS..  trans-60.1131.7173.2-173.7-13.3000109.5R223 P281 G282 S287R223-N285 WeakPolarHBondContact CB-O 3.44Å; R223-N285 HydrophobicContact CG-CB 4.24Å; P281-N285 PolarHBondContact O-N 2.76Å; G282-N285 WeakPolarHBondContact O-CB 3.38Å; G282-N285 PolarHBondContact O-N 3.44Å; N285-S287 VanDerWaalsContact OD1-CB 3.27Å; N285-S287 WeakPolarHBondContact OD1-CB 3.44Å; N285-S287 PolarHBondContact OD1-N 3.38Å; N285-S287 PolarHBondContact OD1-OG 2.91Å
286N90.3Very high83.4Confident82 Ų8255 Ų5544%0.43928%0.283SS..  trans-121.89.5178.768.2-33.3000113R225 L284 R288R225-N286 HydrophobicContact CB-CB 4.1Å; R225-N286 PolarHBondContact NH1-ND2 2.93Å; L284-N286 PolarHBondContact O-N 3.15Å; N286-R288 PolarHBondContact O-N 3.18Å
287S91.2Very high86Confident64 Ų6450.2 Ų50.245%0.44826%0.258SS..PPolyproline II helixtrans-64.7127170-62.80000109R223 L226 N285R223-S287 VanDerWaalsContact CD-O 3.29Å; R223-S287 WeakPolarHBondContact CD-O 3.33Å; R223-S287 PolarHBondContact NH1-O 3.46Å; L226-S287 WeakPolarHBondContact CD1-O 3.3Å; N285-S287 VanDerWaalsContact OD1-CB 3.27Å; N285-S287 WeakPolarHBondContact OD1-CB 3.44Å; N285-S287 PolarHBondContact OD1-N 3.38Å; N285-S287 PolarHBondContact OD1-OG 2.91Å
288R92.3Very high88.3Confident162 Ų16243.2 Ų43.261%0.61123%0.225SC*.PPolyproline II helixtrans-62.9142.1177.1-71.7-173-176.7-175.83.1110.2R223 N286 M292R223-R288 PolarHBondContact NH1-O 3.24Å; N286-R288 PolarHBondContact O-N 3.18Å; R288-M292 HydrophobicContact CB-CB 4.13Å; R288-M292 HydrophobicContact CB-SD 4.15Å; R288-M292 HydrophobicContact CG-CB 4.47Å; R288-M292 HydrophobicContact CG-SD 4.34Å
289R92.5Very high90.4Very high0 Ų042.8 Ų42.80%022%0.221CC..PPolyproline II helixtrans-74.7157.7168.9-67.1179.4-173.5-849.7109.3I183 T185 L188 V190 E193 Y221 G291 M292I183-R289 VanDerWaalsContact O-CZ 3.22Å; I183-R289 PolarHBondContact O-NH1 2.93Å; I183-R289 PolarHBondContact O-NH2 2.85Å; T185-R289 PolarHBondContact O-NH1 2.84Å; L188-R289 VanDerWaalsContact CD1-NH1 3.32Å; V190-R289 HydrophobicContact CG2-CB 4.07Å; V190-R289 HydrophobicContact CG2-CG 4.36Å; E193-R289 IonicContact OE1-CZ 3.39Å; E193-R289 IonicContact OE1-NE 3.47Å; E193-R289 PolarHBondContact OE1-NE 2.79Å; E193-R289 IonicContact OE1-NH2 3.92Å; E193-R289 PolarHBondContact OE1-NH2 3.43Å; E193-R289 WeakPolarHBondContact OE2-CD 3.28Å; E193-R289 IonicContact OE2-CZ 3.58Å; E193-R289 IonicContact OE2-NE 3.21Å; E193-R289 PolarHBondContact OE2-NE 3.29Å; E193-R289 IonicContact OE2-NH2 2.88Å; Y221-R289 PolarHBondContact O-NH2 3.33Å; R289-G291 VanDerWaalsContact C-N 3.28Å; R289-G291 PolarHBondContact O-N 2.8Å; R289-M292 HydrophobicContact CB-CE 4.14Å; R289-M292 HydrophobicContact CB-CG 4.17Å; R289-M292 HydrophobicContact CB-SD 4.15Å; R289-M292 HydrophobicContact CG-CE 4.2Å; R289-M292 PolarHBondContact N-SD 2.95Å; R289-M292 VanDerWaalsContact N-SD 3.37Å; R289-M292 VanDerWaalsContact O-CB 3.28Å; R289-M292 WeakPolarHBondContact O-CB 3.26Å; R289-M292 PolarHBondContact O-N 2.83Å
290Y88.8Confident91.8Very high75 Ų7538.3 Ų38.329%0.29419%0.193SC..G310 helixtrans-55.9-41.3-174.1-162.7-94.6000112.9D186 L188 M292 H293 N591 A593 R594D186-Y290 WeakPolarHBondContact O-CB 3.47Å; D186-Y290 PolarHBondContact O-N 2.88Å; L188-Y290 PolarHBondContact O-N 2.86Å; Y290-M292 PolarHBondContact O-N 3.4Å; Y290-H293 PolarHBondContact O-CD2 3.45Å; Y290-H293 PolarHBondContact O-N 3.01Å; Y290-N591 PolarHBondContact O-ND2 2.96Å; Y290-A593 HydrophobicContact CE2-CB 4.18Å; Y290-A593 PolarHBondContact OH-O 3.27Å; Y290-R594 HydrophobicContact CE1-CG 3.35Å; Y290-R594 VanDerWaalsContact CE1-NE 3.3Å; Y290-R594 VanDerWaalsContact OH-CA 3.29Å; Y290-R594 WeakPolarHBondContact OH-CA 3.35Å; Y290-R594 WeakPolarHBondContact OH-CG 3.39Å; Y290-R594 PolarHBondContact OH-N 3.38Å
291G88.6Confident92.6Very high0 Ų036 Ų360%018%0.181CC..G310 helixtrans-65.5-17.9176.300000115.6L188 N189 V190 R289 H293 A294L188-G291 PolarHBondContact O-N 3.39Å; N189-G291 VanDerWaalsContact OD1-CA 3.3Å; N189-G291 WeakPolarHBondContact OD1-CA 3.38Å; V190-G291 CarbonylContact O-C 3.57Å; V190-G291 WeakPolarHBondContact O-CA 3.07Å; R289-G291 VanDerWaalsContact C-N 3.28Å; R289-G291 PolarHBondContact O-N 2.8Å; G291-H293 PolarHBondContact O-N 3.3Å; G291-A294 PolarHBondContact O-N 3.45Å
292M92.4Very high93.1Very high29 Ų2935.6 Ų35.614%0.14318%0.178CC..G310 helixtrans-77.91.8-179-56.5178.5172.600113.4V190 E193 L226 R288 R289 Y290V190-M292 HydrophobicContact CG2-CE 4.49Å; V190-M292 VanDerWaalsContact O-CG 3.3Å; V190-M292 WeakPolarHBondContact O-CG 3.19Å; V190-M292 PolarHBondContact O-N 2.87Å; E193-M292 HydrophobicContact CB-CE 4.01Å; E193-M292 WeakPolarHBondContact OE2-CE 3.46Å; L226-M292 HydrophobicContact CB-CE 4.43Å; L226-M292 HydrophobicContact CD1-CE 3.86Å; L226-M292 HydrophobicContact CD1-SD 3.72Å; R288-M292 HydrophobicContact CB-CB 4.13Å; R288-M292 HydrophobicContact CB-SD 4.15Å; R288-M292 HydrophobicContact CG-CB 4.47Å; R288-M292 HydrophobicContact CG-SD 4.34Å; R289-M292 HydrophobicContact CB-CE 4.14Å; R289-M292 HydrophobicContact CB-CG 4.17Å; R289-M292 HydrophobicContact CB-SD 4.15Å; R289-M292 HydrophobicContact CG-CE 4.2Å; R289-M292 PolarHBondContact N-SD 2.95Å; R289-M292 VanDerWaalsContact N-SD 3.37Å; R289-M292 VanDerWaalsContact O-CB 3.28Å; R289-M292 WeakPolarHBondContact O-CB 3.26Å; R289-M292 PolarHBondContact O-N 2.83Å; Y290-M292 PolarHBondContact O-N 3.4Å
293H90.4Very high93.5Very high75 Ų7536.8 Ų36.835%0.34718%0.179SC..G310 helixtrans-95.39.7173.4-64.6-89.1000112.8Y290 G291 N591 A592 A593Y290-H293 PolarHBondContact O-CD2 3.45Å; Y290-H293 PolarHBondContact O-N 3.01Å; G291-H293 PolarHBondContact O-N 3.3Å; H293-N591 WeakPolarHBondContact CB-OD1 3.21Å; H293-A592 PolarHBondContact O-N 3.3Å; H293-A593 HydrophobicContact CB-CB 3.94Å
294A91.6Very high93.8Very high17 Ų1739.4 Ų39.414%0.1420%0.198CC..EExtended strand (participates in β ladder)trans-64132.3172.200000111.9E191 G291 R589 L590E191-A294 HydrophobicContact CG-CB 4.31Å; G291-A294 PolarHBondContact O-N 3.45Å; A294-R589 HydrophobicContact CB-CG 4.21Å; A294-L590 CarbonylContact C-O 3.6Å; A294-L590 WeakPolarHBondContact CA-O 3.43Å
295K92.6Very high94.1Very high69 Ų6940 Ų4030%0.320%0.202SC..EExtended strand (participates in β ladder)trans-129.8150.6179.4-66.3-174.8169.5-168.30110.3V297 D310 R589 L590 A592K295-V297 HydrophobicContact CB-CG1 4.22Å; K295-D310 VanDerWaalsContact CD-OD2 3.26Å; K295-D310 WeakPolarHBondContact CD-OD2 3.3Å; K295-D310 IonicContact NZ-OD2 3.06Å; K295-D310 PolarHBondContact NZ-OD2 3.13Å; K295-R589 CarbonylContact O-C 3.56Å; K295-R589 VanDerWaalsContact O-CA 3.28Å; K295-R589 WeakPolarHBondContact O-CA 3.28Å; K295-L590 PolarHBondContact N-O 3.38Å; K295-L590 PolarHBondContact O-N 2.87Å; K295-A592 HydrophobicContact CD-CB 4.23Å
296D95.8Very high94.5Very high63 Ų6337.6 Ų37.634%0.33719%0.189SC..EExtended strand (participates in β ladder)trans-77123167.6-57.1-46.8000108.3M588 R589D296-M588 CarbonylContact C-O 3.53Å; D296-M588 WeakPolarHBondContact CA-O 3.38Å; D296-R589 IonicContact OD1-CZ 2.63Å; D296-R589 IonicContact OD1-NH1 2.88Å; D296-R589 PolarHBondContact OD1-NH1 2.95Å; D296-R589 IonicContact OD2-NH1 3.59Å; D296-R589 PolarHBondContact OD2-NH1 3.39Å
297V97.6Very high94.9Very high0 Ų033.8 Ų33.80%017%0.169CC..EExtended strand (participates in β ladder)trans-134.1150.7-174.9-67.10000110.7K295 V299 A308 Y309 D310 C532 M588 L590K295-V297 HydrophobicContact CB-CG1 4.22Å; V297-V299 HydrophobicContact CG2-CG2 4.1Å; V297-A308 HydrophobicContact CB-CB 4.17Å; V297-A308 HydrophobicContact CG2-CB 3.87Å; V297-Y309 WeakPolarHBondContact CA-O 3.44Å; V297-D310 HydrophobicContact CG1-CB 4.39Å; V297-C532 PolarHBondContact N-SG 2.7Å; V297-C532 VanDerWaalsContact N-SG 3.39Å; V297-M588 PolarHBondContact N-O 2.84Å; V297-M588 PolarHBondContact O-N 3.43Å; V297-L590 HydrophobicContact CG2-CB 3.93Å; V297-L590 HydrophobicContact CG2-CD1 4.02Å; V297-L590 HydrophobicContact CG2-CG 4.05Å
298I98.5Very high95.2Very high1 Ų130.8 Ų30.81%0.00515%0.148CC..EExtended strand (participates in β ladder)trans-85.2118.7169.2-55178.4000107.3M300 A308 Y309 V530 C532 Y537 C585 V586I298-M300 HydrophobicContact CG2-CG 4.49Å; I298-A308 CarbonylContact O-C 3.52Å; I298-A308 WeakPolarHBondContact O-CA 3.26Å; I298-Y309 HydrophobicContact CB-CD1 4.48Å; I298-Y309 HydrophobicContact CD1-CD1 4.26Å; I298-Y309 PolarHBondContact N-O 3.4Å; I298-Y309 PolarHBondContact O-N 3.18Å; I298-V530 HydrophobicContact CG1-CG1 4.18Å; I298-V530 HydrophobicContact CG2-CG1 4.34Å; I298-V530 HydrophobicContact CG2-CG2 4.29Å; I298-C532 HydrophobicContact CG1-CB 3.96Å; I298-Y537 HydrophobicContact CD1-CD1 4.04Å; I298-Y537 HydrophobicContact CD1-CD2 3.67Å; I298-Y537 HydrophobicContact CD1-CE2 4.16Å; I298-Y537 HydrophobicContact CD1-CG 3.59Å; I298-Y537 HydrophobicContact CG1-CD2 4.48Å; I298-C585 HydrophobicContact CG2-CB 4.2Å; I298-V586 CarbonylContact C-O 3.53Å; I298-V586 WeakPolarHBondContact CA-O 3.38Å
299V98.6Very high95.5Very high0 Ų023.1 Ų23.10%012%0.119CC..EExtended strand (participates in β ladder)trans-98.5115176.6-168.60000108.6V297 I301 A306 V307 C585 V586 M588 L590V297-V299 HydrophobicContact CG2-CG2 4.1Å; V299-I301 HydrophobicContact CB-CD1 4.44Å; V299-I301 HydrophobicContact CG1-CD1 4.08Å; V299-I301 HydrophobicContact CG1-CG1 3.96Å; V299-A306 HydrophobicContact CG1-CB 4.26Å; V299-V307 WeakPolarHBondContact CA-O 3.28Å; V299-C585 WeakPolarHBondContact O-CA 3.43Å; V299-V586 HydrophobicContact CB-CG2 3.94Å; V299-V586 PolarHBondContact N-O 3.37Å; V299-V586 PolarHBondContact O-N 3.16Å; V299-M588 HydrophobicContact CG2-CB 3.81Å; V299-M588 HydrophobicContact CG2-CG 3.85Å; V299-M588 HydrophobicContact CG2-SD 3.93Å; V299-L590 HydrophobicContact CG2-CD1 3.77Å
300M98.6Very high95.7Very high0 Ų023.5 Ų23.50%012%0.121CC..EExtended strand (participates in β ladder)trans-95.3117.7174.2-65.5169.4-7400108.4I298 A306 V307 Y309 M577 A580 A583 S584I298-M300 HydrophobicContact CG2-CG 4.49Å; M300-A306 CarbonylContact O-C 3.55Å; M300-A306 WeakPolarHBondContact O-CA 3.19Å; M300-V307 HydrophobicContact CE-CB 4.49Å; M300-V307 HydrophobicContact CE-CG1 4.2Å; M300-V307 PolarHBondContact N-O 2.98Å; M300-V307 PolarHBondContact O-N 3.16Å; M300-Y309 HydrophobicContact CE-CG 4.39Å; M300-M577 HydrophobicContact CE-CE 4.39Å; M300-M577 HydrophobicContact CE-CG 3.85Å; M300-M577 HydrophobicContact CE-SD 4.06Å; M300-M577 HydrophobicContact SD-CG 3.59Å; M300-M577 VanDerWaalsContact SD-CG 3.59Å; M300-A580 HydrophobicContact SD-CB 3.85Å; M300-A583 HydrophobicContact CB-CB 4.01Å; M300-S584 WeakPolarHBondContact CA-O 3.12Å
301I98.6Very high95.8Very high0 Ų020.4 Ų20.40%011%0.112CC..EExtended strand (participates in β ladder)trans-114.6117.7-176.1-55.5116.3000109.2V299 A306 I325 H329 L339 V341 W370 A583 S584 V586V299-I301 HydrophobicContact CB-CD1 4.44Å; V299-I301 HydrophobicContact CG1-CD1 4.08Å; V299-I301 HydrophobicContact CG1-CG1 3.96Å; I301-A306 HydrophobicContact CG1-CB 4.04Å; I301-I325 HydrophobicContact CG2-CG2 4.17Å; I301-H329 PolarHBondContact O-CE1 3.08Å; I301-H329 PolarHBondContact O-NE2 3.16Å; I301-H329 VanDerWaalsContact O-NE2 3.08Å; I301-L339 HydrophobicContact CD1-CD1 4.26Å; I301-L339 HydrophobicContact CD1-CD2 3.81Å; I301-L339 HydrophobicContact CG1-CD2 4.24Å; I301-V341 HydrophobicContact CG2-CG2 4.36Å; I301-W370 HydrophobicContact CG1-CH2 4.47Å; I301-W370 HydrophobicContact CG1-CZ2 4.5Å; I301-W370 HydrophobicContact CG2-CH2 4.19Å; I301-W370 HydrophobicContact CG2-CZ2 3.9Å; I301-A583 WeakPolarHBondContact O-CA 3.37Å; I301-S584 PolarHBondContact N-O 2.94Å; I301-S584 PolarHBondContact O-N 3.02Å; I301-V586 HydrophobicContact CD1-CG2 3.97Å
302N97.3Very high96Very high15 Ų1527 Ų278%0.0814%0.143CC..  trans-126.8-172.1171.267.321.9000111.2T304 A305 S322 A581 A583N302-T304 PolarHBondContact O-N 3.13Å; N302-T304 WeakPolarHBondContact OD1-CA 3.45Å; N302-T304 WeakPolarHBondContact OD1-CB 3.26Å; N302-T304 PolarHBondContact OD1-N 3.31Å; N302-A305 PolarHBondContact N-O 3.08Å; N302-A305 VanDerWaalsContact N-O 3.16Å; N302-A305 PolarHBondContact OD1-N 2.77Å; N302-A305 PolarHBondContact OD1-O 3.13Å; N302-A305 VanDerWaalsContact OD1-O 3.14Å; N302-S322 WeakPolarHBondContact O-CB 3.4Å; N302-A581 PolarHBondContact ND2-O 2.85Å; N302-A583 HydrophobicContact CB-CB 4.28Å
303D95.9Very high96Very high47 Ų4731.1 Ų31.125%0.25116%0.162SC..SBendtrans-76.57.7-178.869.3-29.5000114.1S322 E323 I325 R327D303-S322 CarbonylContact C-O 3.45Å; D303-E323 WeakPolarHBondContact O-CA 3.45Å; D303-I325 WeakPolarHBondContact CB-O 3.38Å; D303-R327 HydrophobicContact CB-CG 3.76Å; D303-R327 VanDerWaalsContact OD2-CG 3.29Å; D303-R327 WeakPolarHBondContact OD2-CG 3.29Å; D303-R327 IonicContact OD2-CZ 2.83Å; D303-R327 IonicContact OD2-NE 3.48Å; D303-R327 PolarHBondContact OD2-NE 3.03Å; D303-R327 IonicContact OD2-NH2 3.66Å; D303-R327 PolarHBondContact OD2-NH2 3.25Å
304T97.1Very high96.2Very high79 Ų7932.2 Ų32.249%0.48517%0.17SC..SBendtrans-116.5-52.1176.6-55.70000110.9N302 S322N302-T304 PolarHBondContact O-N 3.13Å; N302-T304 WeakPolarHBondContact OD1-CA 3.45Å; N302-T304 WeakPolarHBondContact OD1-CB 3.26Å; N302-T304 PolarHBondContact OD1-N 3.31Å; T304-S322 PolarHBondContact O-N 3.03Å
305A97.7Very high96.4Very high12 Ų1234.2 Ų34.210%0.09918%0.177CC..EExtended strand (participates in β ladder)trans-152.6158-176.200000112.7N302 V307 L318 S322N302-A305 PolarHBondContact N-O 3.08Å; N302-A305 VanDerWaalsContact N-O 3.16Å; N302-A305 PolarHBondContact OD1-N 2.77Å; N302-A305 PolarHBondContact OD1-O 3.13Å; N302-A305 VanDerWaalsContact OD1-O 3.14Å; A305-V307 HydrophobicContact CB-CG2 4.1Å; A305-L318 HydrophobicContact CB-CD1 3.8Å; A305-S322 VanDerWaalsContact C-OG 3.32Å
306A98.3Very high96.6Very high0 Ų031.8 Ų31.80%017%0.168CC..EExtended strand (participates in β ladder)trans-98.9113.716300000107.5V299 M300 I301 A319 A320 S322 W370V299-A306 HydrophobicContact CG1-CB 4.26Å; M300-A306 CarbonylContact O-C 3.55Å; M300-A306 WeakPolarHBondContact O-CA 3.19Å; I301-A306 HydrophobicContact CG1-CB 4.04Å; A306-A319 HydrophobicContact CB-CB 4.31Å; A306-A319 WeakPolarHBondContact O-CB 3.3Å; A306-A319 PolarHBondContact O-N 3.04Å; A306-A320 HydrophobicContact CB-CB 4.44Å; A306-A320 PolarHBondContact N-O 2.88Å; A306-A320 PolarHBondContact O-N 3.27Å; A306-S322 PolarHBondContact N-OG 3.28Å; A306-W370 HydrophobicContact CB-CZ2 4.04Å
307V98.4Very high96.7Very high2 Ų229.5 Ų29.51%0.01216%0.155CC..EExtended strand (participates in β ladder)trans-112.2120.5-176176.50000109.6V299 M300 A305 C316 F317 Y579 L598V299-V307 WeakPolarHBondContact CA-O 3.28Å; M300-V307 HydrophobicContact CE-CB 4.49Å; M300-V307 HydrophobicContact CE-CG1 4.2Å; M300-V307 PolarHBondContact N-O 2.98Å; M300-V307 PolarHBondContact O-N 3.16Å; A305-V307 HydrophobicContact CB-CG2 4.1Å; V307-C316 HydrophobicContact CG1-CB 3.99Å; V307-F317 CarbonylContact C-O 3.59Å; V307-F317 WeakPolarHBondContact CA-O 3.44Å; V307-Y579 HydrophobicContact CB-CD1 4.4Å; V307-Y579 HydrophobicContact CB-CG 4.09Å; V307-Y579 HydrophobicContact CG1-CD1 4.47Å; V307-Y579 HydrophobicContact CG1-CD2 3.88Å; V307-Y579 HydrophobicContact CG1-CE2 4.37Å; V307-Y579 HydrophobicContact CG1-CG 3.93Å; V307-Y579 HydrophobicContact CG2-CD1 3.64Å; V307-Y579 HydrophobicContact CG2-CE1 4.11Å; V307-Y579 HydrophobicContact CG2-CG 3.84Å; V307-L598 HydrophobicContact CB-CD1 4.42Å; V307-L598 HydrophobicContact CG1-CD1 3.88Å; V307-L598 HydrophobicContact CG2-CD1 3.74Å
308A98.3Very high96.7Very high0 Ų031.4 Ų31.40%017%0.165CC..EExtended strand (participates in β ladder)trans-85.4123.4173.100000109.8V297 I298 C316 F317 A319 L590 M595V297-A308 HydrophobicContact CB-CB 4.17Å; V297-A308 HydrophobicContact CG2-CB 3.87Å; I298-A308 CarbonylContact O-C 3.52Å; I298-A308 WeakPolarHBondContact O-CA 3.26Å; A308-C316 CarbonylContact O-C 3.58Å; A308-C316 WeakPolarHBondContact O-CA 3.37Å; A308-F317 HydrophobicContact CB-CB 4.39Å; A308-F317 PolarHBondContact N-O 2.84Å; A308-F317 PolarHBondContact O-N 3.12Å; A308-A319 HydrophobicContact CB-CB 4.42Å; A308-L590 HydrophobicContact CB-CD1 4.26Å; A308-M595 HydrophobicContact CB-CE 3.86Å; A308-M595 HydrophobicContact CB-SD 3.89Å
309Y98Very high96.7Very high1 Ų131.7 Ų31.70%0.00417%0.168CC..EExtended strand (participates in β ladder)trans-112.6122.6177.7172-115.1000110.4V297 I298 M300 N314 E315 I560 I574 M577V297-Y309 WeakPolarHBondContact CA-O 3.44Å; I298-Y309 HydrophobicContact CB-CD1 4.48Å; I298-Y309 HydrophobicContact CD1-CD1 4.26Å; I298-Y309 PolarHBondContact N-O 3.4Å; I298-Y309 PolarHBondContact O-N 3.18Å; M300-Y309 HydrophobicContact CE-CG 4.39Å; Y309-N314 WeakPolarHBondContact CE2-OD1 3.47Å; Y309-N314 PolarHBondContact OH-OD1 3.14Å; Y309-E315 WeakPolarHBondContact CA-O 3.35Å; Y309-I560 HydrophobicContact CD1-CD1 3.8Å; Y309-I560 HydrophobicContact CE1-CD1 3.7Å; Y309-I574 HydrophobicContact CE1-CD1 4.31Å; Y309-I574 HydrophobicContact CE2-CD1 3.76Å; Y309-I574 WeakPolarHBondContact OH-CD1 3.23Å; Y309-M577 HydrophobicContact CD1-CE 4.39Å; Y309-M577 HydrophobicContact CD2-CE 3.59Å; Y309-M577 HydrophobicContact CE1-CE 4.48Å; Y309-M577 HydrophobicContact CE2-CE 3.69Å; Y309-M577 HydrophobicContact CG-CE 3.97Å
310D96.3Very high96.6Very high9 Ų931.8 Ų31.85%0.04817%0.168CC..EExtended strand (participates in β ladder)trans-88.7105.9170.3-177-20.1000108.6K295 V297 Q312 E313 N314 E315 F317K295-D310 VanDerWaalsContact CD-OD2 3.26Å; K295-D310 WeakPolarHBondContact CD-OD2 3.3Å; K295-D310 IonicContact NZ-OD2 3.06Å; K295-D310 PolarHBondContact NZ-OD2 3.13Å; V297-D310 HydrophobicContact CG1-CB 4.39Å; D310-Q312 VanDerWaalsContact C-N 3.27Å; D310-Q312 PolarHBondContact O-N 2.91Å; D310-Q312 PolarHBondContact OD1-N 2.8Å; D310-E313 HydrophobicContact CB-CB 4.48Å; D310-E313 PolarHBondContact OD1-N 2.74Å; D310-E313 VanDerWaalsContact OD1-N 3.13Å; D310-E313 WeakPolarHBondContact OD2-CG 3.39Å; D310-N314 WeakPolarHBondContact O-CA 3.46Å; D310-N314 PolarHBondContact O-N 3.18Å; D310-E315 PolarHBondContact N-O 3.27Å; D310-E315 PolarHBondContact O-N 2.9Å; D310-F317 HydrophobicContact CB-CE2 4.36Å
311G92.3Very high96.6Very high10 Ų1036.3 Ų36.310%0.10319%0.191CC..THydrogen-bonded Turntrans-70-18.2-178.500000114.7M573G311-M573 WeakPolarHBondContact O-CE 3.49Å
312Q91.3Very high96.5Very high137 Ų13736.3 Ų36.364%0.6419%0.191SC*.THydrogen-bonded Turntrans-86.3-44.2179.8-64-173.29.500111.3D310 L535D310-Q312 VanDerWaalsContact C-N 3.27Å; D310-Q312 PolarHBondContact O-N 2.91Å; D310-Q312 PolarHBondContact OD1-N 2.8Å; Q312-L535 HydrophobicContact CG-CD1 4.45Å
313E93.1Very high96.4Very high116 Ų11642.9 Ų42.954%0.54222%0.221SC..THydrogen-bonded Turntrans-88.2-10.8178.8-58.9-61.9157.300112.7D310 E315D310-E313 HydrophobicContact CB-CB 4.48Å; D310-E313 PolarHBondContact OD1-N 2.74Å; D310-E313 VanDerWaalsContact OD1-N 3.13Å; D310-E313 WeakPolarHBondContact OD2-CG 3.39Å; E313-E315 HydrophobicContact CB-CG 3.97Å; E313-E315 WeakPolarHBondContact O-CG 2.9Å
314N93.8Very high96.2Very high99 Ų9949.8 Ų49.853%0.52924%0.244SC..THydrogen-bonded Turntrans5846.1-175.8-166.541.3000113Y309 D310 I574Y309-N314 WeakPolarHBondContact CE2-OD1 3.47Å; Y309-N314 PolarHBondContact OH-OD1 3.14Å; D310-N314 WeakPolarHBondContact O-CA 3.46Å; D310-N314 PolarHBondContact O-N 3.18Å; N314-I574 WeakPolarHBondContact OD1-CD1 3.49Å
315E96Very high96.2Very high59 Ų5946.1 Ų46.128%0.27622%0.221SC..EExtended strand (participates in β ladder)trans-121.7144.4-176.6-58.7-166.1151.800112.1Y309 D310 E313 F317 K597Y309-E315 WeakPolarHBondContact CA-O 3.35Å; D310-E315 PolarHBondContact N-O 3.27Å; D310-E315 PolarHBondContact O-N 2.9Å; E313-E315 HydrophobicContact CB-CG 3.97Å; E313-E315 WeakPolarHBondContact O-CG 2.9Å; E315-F317 HydrophobicContact CB-CE2 3.72Å; E315-F317 HydrophobicContact CB-CZ 3.87Å; E315-F317 WeakPolarHBondContact OE2-CZ 3.48Å; E315-K597 VanDerWaalsContact CD-CE 3.49Å; E315-K597 WeakPolarHBondContact OE1-CE 3.46Å; E315-K597 IonicContact OE1-NZ 2.64Å; E315-K597 PolarHBondContact OE1-NZ 3.15Å; E315-K597 IonicContact OE2-NZ 2.94Å; E315-K597 PolarHBondContact OE2-NZ 3.49Å
316C97.6Very high96Very high18 Ų1846.7 Ų46.712%0.12222%0.224CC..EExtended strand (participates in β ladder)trans-110.5143.5176.4-70.20000111.2V307 A308 Y579 L598V307-C316 HydrophobicContact CG1-CB 3.99Å; A308-C316 CarbonylContact O-C 3.58Å; A308-C316 WeakPolarHBondContact O-CA 3.37Å; C316-Y579 HydrophobicContact CB-CE2 4.26Å; C316-L598 HydrophobicContact CB-CB 4.11Å; C316-L598 PolarHBondContact O-N 3.21Å
317F97.8Very high95.8Very high14 Ų1455.6 Ų55.66%0.06126%0.257CS..EExtended strand (participates in β ladder)trans-136.2145.1178.6-52.8-93000110.5V307 A308 D310 E315 A319 A592 M595 P596 K597V307-F317 CarbonylContact C-O 3.59Å; V307-F317 WeakPolarHBondContact CA-O 3.44Å; A308-F317 HydrophobicContact CB-CB 4.39Å; A308-F317 PolarHBondContact N-O 2.84Å; A308-F317 PolarHBondContact O-N 3.12Å; D310-F317 HydrophobicContact CB-CE2 4.36Å; E315-F317 HydrophobicContact CB-CE2 3.72Å; E315-F317 HydrophobicContact CB-CZ 3.87Å; E315-F317 WeakPolarHBondContact OE2-CZ 3.48Å; F317-A319 PolarHBondContact O-N 2.86Å; F317-A592 HydrophobicContact CE1-CB 4.33Å; F317-A592 HydrophobicContact CE2-CB 4.45Å; F317-A592 HydrophobicContact CZ-CB 4.22Å; F317-M595 HydrophobicContact CB-CB 3.63Å; F317-M595 HydrophobicContact CB-CE 3.99Å; F317-M595 HydrophobicContact CB-SD 4.26Å; F317-M595 HydrophobicContact CD1-CB 4.47Å; F317-M595 HydrophobicContact CG-CB 4.39Å; F317-M595 HydrophobicContact CG-CE 4.36Å; F317-P596 CarbonylContact C-O 3.54Å; F317-P596 VanDerWaalsContact CA-O 3.31Å; F317-P596 WeakPolarHBondContact CA-O 3.35Å; F317-K597 HydrophobicContact CD1-CB 4.18Å; F317-K597 HydrophobicContact CD1-CG 4.32Å; F317-K597 HydrophobicContact CE1-CB 4.25Å; F317-K597 HydrophobicContact CE1-CD 4.48Å; F317-K597 HydrophobicContact CE1-CG 4.13Å
318L97.9Very high95.5Very high40 Ų4061.7 Ų61.721%0.20929%0.29CS..EExtended strand (participates in β ladder)trans-81.1109175.2-17862.1000109.8A305 M321 M595 P596 L598A305-L318 HydrophobicContact CB-CD1 3.8Å; L318-M321 HydrophobicContact CD1-SD 4.19Å; L318-M321 HydrophobicContact CD2-SD 4.13Å; L318-M595 WeakPolarHBondContact O-CB 3.38Å; L318-P596 HydrophobicContact CB-CB 4.47Å; L318-P596 PolarHBondContact N-O 3.15Å; L318-L598 HydrophobicContact CB-CD1 4.06Å; L318-L598 HydrophobicContact CB-CD2 4.11Å; L318-L598 HydrophobicContact CB-CG 4.07Å
319A97.1Very high95.4Very high7 Ų762.9 Ų62.96%0.05830%0.295CS..EExtended strand (participates in β ladder)trans-81.7-41.8177.100000111.9A306 A308 F317 A368 L590 M595A306-A319 HydrophobicContact CB-CB 4.31Å; A306-A319 WeakPolarHBondContact O-CB 3.3Å; A306-A319 PolarHBondContact O-N 3.04Å; A308-A319 HydrophobicContact CB-CB 4.42Å; F317-A319 PolarHBondContact O-N 2.86Å; A319-A368 VanDerWaalsContact O-CB 3.28Å; A319-A368 WeakPolarHBondContact O-CB 3.25Å; A319-L590 HydrophobicContact CB-CD1 4.17Å; A319-M595 HydrophobicContact CB-SD 3.85Å
320A97.6Very high95.4Very high2 Ų264.5 Ų64.52%0.01731%0.306CS..EExtended strand (participates in β ladder)trans-165.9154.417400000111.5A306 L363 A368A306-A320 HydrophobicContact CB-CB 4.44Å; A306-A320 PolarHBondContact N-O 2.88Å; A306-A320 PolarHBondContact O-N 3.27Å; A320-L363 HydrophobicContact CB-CD1 3.61Å; A320-A368 WeakPolarHBondContact CB-O 3.02Å
321M97.6Very high95.5Very high95 Ų9565 Ų6547%0.46831%0.31SS..EExtended strand (participates in β ladder)trans-72.2141.5165.3-66.5-57.1-63.700109.9L318 E323 W370L318-M321 HydrophobicContact CD1-SD 4.19Å; L318-M321 HydrophobicContact CD2-SD 4.13Å; M321-E323 HydrophobicContact CE-CG 4.45Å; M321-W370 PolarHBondContact O-NE1 2.91Å; M321-W370 VanDerWaalsContact O-NE1 3.16Å
322S96.8Very high95.8Very high0 Ų065.5 Ų65.50%031%0.31CS..  trans-130.425.9-169.9-58.80000113.6N302 D303 T304 A305 A306 R324 I325 W370N302-S322 WeakPolarHBondContact O-CB 3.4Å; D303-S322 CarbonylContact C-O 3.45Å; T304-S322 PolarHBondContact O-N 3.03Å; A305-S322 VanDerWaalsContact C-OG 3.32Å; A306-S322 PolarHBondContact N-OG 3.28Å; S322-R324 PolarHBondContact O-N 2.95Å; S322-I325 VanDerWaalsContact O-CB 3.3Å; S322-I325 WeakPolarHBondContact O-CB 3.49Å; S322-I325 PolarHBondContact O-N 3.4Å; S322-W370 PolarHBondContact OG-NE1 3.16Å
323E94.7Very high96.1Very high154 Ų15460.2 Ų60.272%0.7229%0.29SS*.THydrogen-bonded Turntrans-57.8-22.9178.8-62177.8179.200114.1D303 M321D303-E323 WeakPolarHBondContact O-CA 3.45Å; M321-E323 HydrophobicContact CE-CG 4.45Å
324R93.1Very high96.3Very high191 Ų19155.5 Ų55.572%0.72127%0.269SS*.THydrogen-bonded Turntrans-87.7-11.3176-61.2-174.5-177.4-177.51.6113.4S322 Y361S322-R324 PolarHBondContact O-N 2.95Å; R324-Y361 PolarHBondContact O-OH 3.02Å
325I96.3Very high96.3Very high3 Ų357.5 Ų57.52%0.01527%0.273CS..SBendtrans-79.2124.3-180-60.8-53.8000108.9I301 D303 S322 V341 Y361 W370I301-I325 HydrophobicContact CG2-CG2 4.17Å; D303-I325 WeakPolarHBondContact CB-O 3.38Å; S322-I325 VanDerWaalsContact O-CB 3.3Å; S322-I325 WeakPolarHBondContact O-CB 3.49Å; S322-I325 PolarHBondContact O-N 3.4Å; I325-V341 HydrophobicContact CD1-CB 4.31Å; I325-V341 HydrophobicContact CD1-CG1 4.19Å; I325-V341 HydrophobicContact CG2-CG1 3.8Å; I325-Y361 HydrophobicContact CD1-CD2 3.53Å; I325-Y361 HydrophobicContact CD1-CE2 4.09Å; I325-Y361 HydrophobicContact CD1-CG 3.86Å; I325-W370 HydrophobicContact CD1-CD2 3.75Å; I325-W370 HydrophobicContact CD1-CE3 4.02Å; I325-W370 HydrophobicContact CD1-CG 4.03Å; I325-W370 HydrophobicContact CD1-CZ2 4.36Å; I325-W370 HydrophobicContact CD1-CZ3 4.44Å; I325-W370 HydrophobicContact CG1-CD2 4.17Å; I325-W370 HydrophobicContact CG1-CG 4.4Å; I325-W370 HydrophobicContact CG1-CZ2 4.17Å
326P94.4Very high96.1Very high24 Ų2461.1 Ų61.116%0.15629%0.288CS..  trans-69.5143.3179.926.4-32.1000111N328 H329 G343 Y359P326-N328 VanDerWaalsContact C-N 3.32Å; P326-N328 PolarHBondContact O-N 3.05Å; P326-H329 HydrophobicContact CG-CB 4.33Å; P326-H329 WeakPolarHBondContact O-CB 3.35Å; P326-H329 PolarHBondContact O-ND1 2.98Å; P326-G343 VanDerWaalsContact CG-C 3.49Å; P326-Y359 HydrophobicContact CG-CD2 4.22Å
327R93.1Very high96Very high186 Ų18662.8 Ų62.870%0.70230%0.295SS*.SBendtrans-51.6-47.9177.1-70.2-178.4-177.1-173.7-3.7113.3D303 H329D303-R327 HydrophobicContact CB-CG 3.76Å; D303-R327 VanDerWaalsContact OD2-CG 3.29Å; D303-R327 WeakPolarHBondContact OD2-CG 3.29Å; D303-R327 IonicContact OD2-CZ 2.83Å; D303-R327 IonicContact OD2-NE 3.48Å; D303-R327 PolarHBondContact OD2-NE 3.03Å; D303-R327 IonicContact OD2-NH2 3.66Å; D303-R327 PolarHBondContact OD2-NH2 3.25Å; R327-H329 PolarHBondContact O-N 3Å; R327-H329 VanDerWaalsContact O-N 3.15Å; R327-H329 PolarHBondContact O-ND1 3.32Å
328N92.6Very high95.9Very high131 Ų13164.9 Ų64.970%0.70131%0.307SS*.SBendtrans-86.284.9178.7-66.1-25.1000110P326 G344P326-N328 VanDerWaalsContact C-N 3.32Å; P326-N328 PolarHBondContact O-N 3.05Å; N328-G344 PolarHBondContact O-N 2.9Å
329H96.8Very high95.9Very high24 Ų2463 Ų6311%0.11130%0.297CS..EExtended strand (participates in β ladder)trans-133.2166.9178.967.6-82.4000112.4I301 P326 R327 V341 S584I301-H329 PolarHBondContact O-CE1 3.08Å; I301-H329 PolarHBondContact O-NE2 3.16Å; I301-H329 VanDerWaalsContact O-NE2 3.08Å; P326-H329 HydrophobicContact CG-CB 4.33Å; P326-H329 WeakPolarHBondContact O-CB 3.35Å; P326-H329 PolarHBondContact O-ND1 2.98Å; R327-H329 PolarHBondContact O-N 3Å; R327-H329 VanDerWaalsContact O-N 3.15Å; R327-H329 PolarHBondContact O-ND1 3.32Å; H329-V341 HydrophobicContact CB-CG1 3.73Å; H329-S584 PolarHBondContact CD2-OG 3.42Å; H329-S584 VanDerWaalsContact CD2-OG 3.26Å; H329-S584 PolarHBondContact NE2-OG 3.42Å
330V97.8Very high96Very high36 Ų3663.1 Ų63.122%0.21830%0.296CS..EExtended strand (participates in β ladder)trans-121.9144.1169.1-178.70000107.5V341 L342 F383 M385V330-V341 WeakPolarHBondContact O-CA 3.36Å; V330-L342 PolarHBondContact N-O 3.27Å; V330-L342 PolarHBondContact O-N 3.04Å; V330-F383 HydrophobicContact CB-CE2 4.31Å; V330-F383 HydrophobicContact CG2-CD2 4.42Å; V330-F383 HydrophobicContact CG2-CE2 4.15Å; V330-F383 WeakPolarHBondContact CG2-O 3.44Å; V330-M385 HydrophobicContact CB-CE 4.22Å; V330-M385 HydrophobicContact CG1-CB 4.4Å; V330-M385 HydrophobicContact CG1-CE 4.09Å; V330-M385 HydrophobicContact CG1-CG 4.28Å; V330-M385 WeakPolarHBondContact O-CE 3.29Å
331S98.4Very high96Very high19 Ų1963.1 Ų63.113%0.13330%0.296CS..EExtended strand (participates in β ladder)trans-116.6145.2177.3-660000111.2Y340 S584S331-Y340 CarbonylContact C-O 3.52Å; S331-Y340 WeakPolarHBondContact CA-O 3.37Å; S331-S584 VanDerWaalsContact CB-OG 3.29Å; S331-S584 WeakPolarHBondContact CB-OG 3.25Å; S331-S584 PolarHBondContact OG-OG 3.17Å
332L98.4Very high96Very high21 Ų2158.6 Ų58.611%0.1127%0.273CS..EExtended strand (participates in β ladder)trans-136.1118.2174.5176.869000109.3Y340 M385 E387 I392L332-Y340 PolarHBondContact N-O 2.83Å; L332-Y340 PolarHBondContact O-N 3.37Å; L332-M385 HydrophobicContact CB-CB 4.06Å; L332-M385 HydrophobicContact CB-CE 3.75Å; L332-M385 HydrophobicContact CD2-CB 4.11Å; L332-E387 HydrophobicContact CD2-CB 4.13Å; L332-I392 HydrophobicContact CD2-CG2 4.04Å
333A98Very high96Very high26 Ų2658.6 Ų58.622%0.21527%0.274CS..EExtended strand (participates in β ladder)trans-91.2121.9163.600000109.1N338 V586 S587 M588A333-N338 WeakPolarHBondContact CA-O 3.45Å; A333-V586 HydrophobicContact CB-CB 3.87Å; A333-V586 HydrophobicContact CB-CG1 4.34Å; A333-V586 HydrophobicContact CB-CG2 4.17Å; A333-S587 VanDerWaalsContact CB-O 3.31Å; A333-S587 WeakPolarHBondContact CB-O 3.39Å; A333-M588 HydrophobicContact CB-CG 4.04Å
334T96.8Very high95.9Very high16 Ų1652 Ų5210%0.09825%0.247CC..  trans-76.9160.6179.658.80000112K336 N337 N338 Y340 E387T334-K336 PolarHBondContact O-N 3.31Å; T334-K336 VanDerWaalsContact O-N 3.08Å; T334-N337 WeakPolarHBondContact O-CA 3.42Å; T334-N337 PolarHBondContact O-N 3.36Å; T334-N338 HydrophobicContact CG2-CB 4.48Å; T334-N338 PolarHBondContact N-O 3.46Å; T334-N338 WeakPolarHBondContact OG1-CA 3.36Å; T334-N338 WeakPolarHBondContact OG1-CB 3.45Å; T334-N338 PolarHBondContact OG1-N 3.47Å; T334-N338 PolarHBondContact OG1-O 3.31Å; T334-Y340 HydrophobicContact CG2-CD2 3.81Å; T334-Y340 HydrophobicContact CG2-CE2 3.59Å; T334-E387 WeakPolarHBondContact CA-OE2 3.16Å; T334-E387 WeakPolarHBondContact CB-OE2 3.42Å; T334-E387 WeakPolarHBondContact CG2-OE2 3.47Å
335K93.5Very high95.7Very high141 Ų14145.6 Ų45.661%0.61323%0.227SC*.THydrogen-bonded Turntrans-59.2-19.5170.3-77.3175.4-176.1-166.60113.4N337 E387 E437K335-N337 VanDerWaalsContact C-N 3.3Å; K335-E387 WeakPolarHBondContact CB-OE1 3.38Å; K335-E387 VanDerWaalsContact CG-OE1 3.23Å; K335-E387 WeakPolarHBondContact CG-OE1 3.48Å; K335-E387 PolarHBondContact N-OE1 3.09Å; K335-E387 PolarHBondContact N-OE2 3.13Å; K335-E437 IonicContact NZ-OE2 2.71Å; K335-E437 PolarHBondContact NZ-OE2 2.9Å
336K92.3Very high95.2Very high136 Ų13648 Ų4859%0.59124%0.237SC*.THydrogen-bonded Turntrans-8910173.5-65.1179.2-177.9167.70113.2T334 N338T334-K336 PolarHBondContact O-N 3.31Å; T334-K336 VanDerWaalsContact O-N 3.08Å; K336-N338 VanDerWaalsContact C-N 3.26Å; K336-N338 PolarHBondContact O-N 2.66Å
337N94.6Very high94.8Very high53 Ų5349.9 Ų49.928%0.28325%0.254SS..SBendtrans62.526.3179.1-164.249.7000114.7T334 K335 M588 R589T334-N337 WeakPolarHBondContact O-CA 3.42Å; T334-N337 PolarHBondContact O-N 3.36Å; K335-N337 VanDerWaalsContact C-N 3.3Å; N337-M588 VanDerWaalsContact O-CE 3.3Å; N337-M588 WeakPolarHBondContact O-CE 3.42Å; N337-R589 PolarHBondContact ND2-O 2.93Å; N337-R589 PolarHBondContact OD1-N 3.39Å
338N96Very high94.3Very high57 Ų5743.1 Ų43.131%0.30523%0.232SC..  trans-91.1136.4166.4-57.7-59.5000109.8A333 T334 K336 Y340A333-N338 WeakPolarHBondContact CA-O 3.45Å; T334-N338 HydrophobicContact CG2-CB 4.48Å; T334-N338 PolarHBondContact N-O 3.46Å; T334-N338 WeakPolarHBondContact OG1-CA 3.36Å; T334-N338 WeakPolarHBondContact OG1-CB 3.45Å; T334-N338 PolarHBondContact OG1-N 3.47Å; T334-N338 PolarHBondContact OG1-O 3.31Å; K336-N338 VanDerWaalsContact C-N 3.26Å; K336-N338 PolarHBondContact O-N 2.66Å; N338-Y340 HydrophobicContact CB-CD2 4.41Å; N338-Y340 HydrophobicContact CB-CE2 3.6Å
339L98.3Very high93.9Very high1 Ų145.5 Ų45.51%0.00524%0.239CC..EExtended strand (participates in β ladder)trans-104.5127.7176173.858.5000110.8I301 Q362 L363 W370 V586 M588I301-L339 HydrophobicContact CD1-CD1 4.26Å; I301-L339 HydrophobicContact CD1-CD2 3.81Å; I301-L339 HydrophobicContact CG1-CD2 4.24Å; L339-Q362 WeakPolarHBondContact O-CA 3.43Å; L339-L363 HydrophobicContact CB-CB 4.09Å; L339-L363 HydrophobicContact CD2-CB 4.29Å; L339-L363 HydrophobicContact CD2-CD2 3.97Å; L339-L363 HydrophobicContact CG-CB 4.4Å; L339-L363 PolarHBondContact O-N 2.82Å; L339-W370 HydrophobicContact CD2-CH2 3.78Å; L339-W370 HydrophobicContact CD2-CZ3 4.4Å; L339-W370 HydrophobicContact CG-CH2 4.15Å; L339-W370 HydrophobicContact CG-CZ3 4.34Å; L339-V586 HydrophobicContact CD1-CG1 4.29Å; L339-V586 HydrophobicContact CD1-CG2 3.81Å; L339-V586 HydrophobicContact CD2-CG2 4.43Å; L339-M588 HydrophobicContact CB-CE 3.67Å; L339-M588 HydrophobicContact CB-SD 3.57Å; L339-M588 VanDerWaalsContact CB-SD 3.57Å; L339-M588 HydrophobicContact CD2-SD 3.66Å; L339-M588 HydrophobicContact CG-SD 4.13Å
340Y98.6Very high93.3Very high10 Ų1053 Ų534%0.03927%0.274CS..EExtended strand (participates in β ladder)trans-118.6142.1174.6-61.9-87.6000110.9S331 L332 T334 N338 F360 Y361 Q362 L373 I392 T414S331-Y340 CarbonylContact C-O 3.52Å; S331-Y340 WeakPolarHBondContact CA-O 3.37Å; L332-Y340 PolarHBondContact N-O 2.83Å; L332-Y340 PolarHBondContact O-N 3.37Å; T334-Y340 HydrophobicContact CG2-CD2 3.81Å; T334-Y340 HydrophobicContact CG2-CE2 3.59Å; N338-Y340 HydrophobicContact CB-CD2 4.41Å; N338-Y340 HydrophobicContact CB-CE2 3.6Å; Y340-F360 HydrophobicContact CD1-CE1 4.47Å; Y340-F360 HydrophobicContact CD1-CE2 4.04Å; Y340-F360 AromaticContact CD1-CZ 3.68Å; Y340-F360 HydrophobicContact CD1-CZ 3.68Å; Y340-F360 HydrophobicContact CE1-CZ 4.41Å; Y340-F360 HydrophobicContact CG-CE2 4.34Å; Y340-F360 HydrophobicContact CG-CZ 4.25Å; Y340-Y361 CarbonylContact C-O 3.44Å; Y340-Y361 VanDerWaalsContact CA-O 3.29Å; Y340-Y361 WeakPolarHBondContact CA-O 3.41Å; Y340-Q362 HydrophobicContact CD1-CB 3.87Å; Y340-Q362 HydrophobicContact CD1-CG 4.16Å; Y340-Q362 HydrophobicContact CE1-CB 3.8Å; Y340-Q362 HydrophobicContact CE1-CG 3.79Å; Y340-L373 HydrophobicContact CD1-CD1 3.83Å; Y340-L373 HydrophobicContact CE1-CD1 3.73Å; Y340-I392 HydrophobicContact CD1-CD1 3.68Å; Y340-I392 HydrophobicContact CD2-CD1 3.46Å; Y340-I392 VanDerWaalsContact CD2-CD1 3.46Å; Y340-I392 HydrophobicContact CE1-CD1 3.76Å; Y340-I392 HydrophobicContact CE2-CD1 3.54Å; Y340-I392 HydrophobicContact CG-CD1 3.53Å; Y340-T414 HydrophobicContact CE1-CG2 4.47Å
341V98.4Very high92.4Very high1 Ų153.8 Ų53.81%0.00628%0.277CS..EExtended strand (participates in β ladder)trans-124.1128.6174.6177.10000108.9I301 I325 H329 V330 F360 Y361 W370I301-V341 HydrophobicContact CG2-CG2 4.36Å; I325-V341 HydrophobicContact CD1-CB 4.31Å; I325-V341 HydrophobicContact CD1-CG1 4.19Å; I325-V341 HydrophobicContact CG2-CG1 3.8Å; H329-V341 HydrophobicContact CB-CG1 3.73Å; V330-V341 WeakPolarHBondContact O-CA 3.36Å; V341-F360 WeakPolarHBondContact O-CA 3.27Å; V341-F360 WeakPolarHBondContact O-CD2 3.27Å; V341-Y361 PolarHBondContact N-O 2.84Å; V341-Y361 PolarHBondContact O-N 3.33Å; V341-W370 HydrophobicContact CB-CH2 4.45Å; V341-W370 HydrophobicContact CB-CZ3 4.14Å; V341-W370 HydrophobicContact CG2-CE3 4.46Å; V341-W370 HydrophobicContact CG2-CH2 3.36Å; V341-W370 HydrophobicContact CG2-CZ2 4.36Å; V341-W370 HydrophobicContact CG2-CZ3 3.43Å; V341-W370 VanDerWaalsContact CG2-CZ3 3.43Å
342L98.1Very high91.4Very high0 Ų062 Ų620%031%0.311CS..EExtended strand (participates in β ladder)trans-131.5129.1179.8-17765.4000109.4V330 C358 Y359 F360 M376 F383 M385 A394 W419V330-L342 PolarHBondContact N-O 3.27Å; V330-L342 PolarHBondContact O-N 3.04Å; L342-C358 HydrophobicContact CD1-CB 4.18Å; L342-Y359 WeakPolarHBondContact CA-O 3.44Å; L342-Y359 WeakPolarHBondContact CD1-O 3.37Å; L342-F360 HydrophobicContact CB-CD2 3.87Å; L342-F360 HydrophobicContact CB-CE2 4.28Å; L342-F360 HydrophobicContact CD1-CB 3.83Å; L342-F360 HydrophobicContact CD1-CD2 3.68Å; L342-F360 HydrophobicContact CD1-CG 3.99Å; L342-F360 HydrophobicContact CG-CD2 4.27Å; L342-M376 HydrophobicContact CD1-CB 3.84Å; L342-M376 HydrophobicContact CD1-CE 4.34Å; L342-M376 HydrophobicContact CD2-CE 4.05Å; L342-M376 HydrophobicContact CD2-SD 3.92Å; L342-M376 HydrophobicContact CG-CE 4.37Å; L342-F383 HydrophobicContact CB-CE2 4.2Å; L342-F383 HydrophobicContact CB-CZ 4.29Å; L342-F383 HydrophobicContact CD2-CD2 4.48Å; L342-F383 HydrophobicContact CD2-CE2 3.56Å; L342-F383 HydrophobicContact CD2-CZ 3.93Å; L342-F383 HydrophobicContact CG-CE2 3.79Å; L342-F383 HydrophobicContact CG-CZ 3.72Å; L342-M385 HydrophobicContact CB-CE 3.89Å; L342-M385 HydrophobicContact CB-SD 3.48Å; L342-M385 WeakPolarHBondContact CB-SD 3.38Å; L342-M385 HydrophobicContact CD2-CG 4.24Å; L342-M385 HydrophobicContact CD2-SD 3.75Å; L342-M385 HydrophobicContact CG-SD 4.28Å; L342-A394 HydrophobicContact CD2-CB 3.62Å; L342-W419 HydrophobicContact CD1-CH2 4.48Å; L342-W419 HydrophobicContact CD1-CZ2 4.27Å; L342-W419 HydrophobicContact CD2-CH2 4Å
343G95.6Very high90.3Very high1 Ų169.1 Ų69.11%0.0134%0.343CS..EExtended strand (participates in β ladder)trans159.9-165176.800000114P326 Y359P326-G343 VanDerWaalsContact CG-C 3.49Å; G343-Y359 PolarHBondContact N-O 3.03Å; G343-Y359 WeakPolarHBondContact O-CB 3.38Å; G343-Y359 PolarHBondContact O-N 3.4Å
344G92.8Very high89.2Confident14 Ų1473 Ų7314%0.14436%0.36CS..EExtended strand (participates in β ladder)trans58.4-171.3-170.700000113N328 C358N328-G344 PolarHBondContact O-N 2.9Å; G344-C358 PolarHBondContact O-SG 3.31Å
345L88.7Confident88.5Confident58 Ų5874.4 Ų74.430%0.30437%0.37SS..EExtended strand (participates in β ladder)trans-140.2145.5175-73.4178.1000109.8L356 Q357 Y359 P379 L400L345-L356 HydrophobicContact CD1-CD1 4.38Å; L345-Q357 WeakPolarHBondContact CA-O 3.18Å; L345-Y359 WeakPolarHBondContact O-CE2 3.11Å; L345-P379 HydrophobicContact CD2-CB 3.45Å; L345-P379 VanDerWaalsContact CD2-CB 3.45Å; L345-L400 HydrophobicContact CD1-CB 3.92Å; L345-L400 HydrophobicContact CD1-CD1 3.25Å; L345-L400 HydrophobicContact CD1-CG 4.19Å; L345-L400 HydrophobicContact CD2-CD1 4.05Å; L345-L400 HydrophobicContact CG-CD1 3.56Å
346F86.9Confident88.3Confident53 Ų5369.6 Ų69.623%0.23235%0.351CS..EExtended strand (participates in β ladder)trans-137.8159160.176.1-80.7000110.6D348 L356 Q357 Y359 P375F346-D348 HydrophobicContact CE2-CB 4.22Å; F346-L356 WeakPolarHBondContact O-CA 3.2Å; F346-Q357 HydrophobicContact CD1-CB 4.43Å; F346-Q357 HydrophobicContact CE1-CB 3.81Å; F346-Q357 HydrophobicContact CZ-CB 4.02Å; F346-Q357 PolarHBondContact N-O 2.88Å; F346-Q357 PolarHBondContact O-N 3.32Å; F346-Y359 HydrophobicContact CB-CE1 3.83Å; F346-Y359 HydrophobicContact CB-CE2 3.87Å; F346-Y359 VanDerWaalsContact CB-CZ 3.4Å; F346-Y359 VanDerWaalsContact CB-OH 3.28Å; F346-Y359 WeakPolarHBondContact CB-OH 3.11Å; F346-Y359 AromaticContact CD1-CD1 3.65Å; F346-Y359 HydrophobicContact CD1-CD1 3.65Å; F346-Y359 HydrophobicContact CD1-CD2 4.31Å; F346-Y359 AromaticContact CD1-CE1 3.59Å; F346-Y359 HydrophobicContact CD1-CE1 3.59Å; F346-Y359 HydrophobicContact CD1-CE2 4.27Å; F346-Y359 HydrophobicContact CD1-CG 4.04Å; F346-Y359 AromaticContact CD1-CZ 3.95Å; F346-Y359 HydrophobicContact CE1-CD1 4.16Å; F346-Y359 HydrophobicContact CE1-CE1 4.38Å; F346-Y359 HydrophobicContact CG-CD1 4.35Å; F346-Y359 AromaticContact CG-CE1 3.82Å; F346-Y359 HydrophobicContact CG-CE1 3.82Å; F346-Y359 AromaticContact CG-CZ 3.94Å; F346-P375 HydrophobicContact CE1-CB 3.56Å; F346-P375 HydrophobicContact CE1-CG 4.2Å; F346-P375 HydrophobicContact CZ-CB 3.76Å; F346-P375 HydrophobicContact CZ-CG 3.85Å
347A85.3Confident88.2Confident63 Ų6364 Ų6452%0.52133%0.326SS..EExtended strand (participates in β ladder)trans-97.6118.2174.400000108.7P355 L356A347-P355 CarbonylContact C-O 3.58Å; A347-P355 VanDerWaalsContact CA-O 3.29Å; A347-P355 WeakPolarHBondContact CA-O 2.96Å; A347-L356 HydrophobicContact CB-CD2 4.07Å
348D82.9Confident88.2Confident44 Ų4461.4 Ų61.424%0.23531%0.313CS..  trans-76115.5165-171.1-14000108.3F346 E350 D351 P355F346-D348 HydrophobicContact CE2-CB 4.22Å; D348-E350 PolarHBondContact O-N 3.22Å; D348-E350 WeakPolarHBondContact OD1-CB 3.39Å; D348-E350 PolarHBondContact OD1-N 3.43Å; D348-D351 HydrophobicContact CB-CB 4.37Å; D348-P355 PolarHBondContact N-O 2.88Å
349E84.3Confident88.2Confident182 Ų18262.4 Ų62.485%0.8531%0.313SS*.SBendtrans-74.3-18.2-179.9-63.3-170.8168.200112.5
350E82.9Confident88.2Confident180 Ų18062.5 Ų62.584%0.84131%0.313SS*.SBendtrans-84.2-34.4-179.4-58.9-171171.100111.8D348 K352D348-E350 PolarHBondContact O-N 3.22Å; D348-E350 WeakPolarHBondContact OD1-CB 3.39Å; D348-E350 PolarHBondContact OD1-N 3.43Å; E350-K352 PolarHBondContact O-N 2.8Å
351D80.2Confident88.2Confident54 Ų5463 Ų6329%0.28932%0.315SS..  trans-8992.7175.7-168.8-16.4000111.9D348 E353 N354 P355D348-D351 HydrophobicContact CB-CB 4.37Å; D351-E353 VanDerWaalsContact C-N 3.29Å; D351-E353 PolarHBondContact O-N 2.85Å; D351-E353 PolarHBondContact OD1-N 3.11Å; D351-N354 PolarHBondContact OD1-N 3.39Å; D351-P355 VanDerWaalsContact O-CA 3.22Å; D351-P355 WeakPolarHBondContact O-CA 3.42Å; D351-P355 WeakPolarHBondContact O-CB 3.4Å
352K77.3Confident88.2Confident192 Ų19264.9 Ų64.984%0.83532%0.324SS*.SBendtrans-73.1-17.4178.3-65.3-173.6-179.5179.10114.4E350E350-K352 PolarHBondContact O-N 2.8Å
353E75.4Confident88.1Confident170 Ų17065.3 Ų65.379%0.79433%0.326SS*.SBendtrans-88.1-42.5-178.5-69.1-169167.900111.2D351D351-E353 VanDerWaalsContact C-N 3.29Å; D351-E353 PolarHBondContact O-N 2.85Å; D351-E353 PolarHBondContact OD1-N 3.11Å
354N74.4Confident88.1Confident107 Ų10767 Ų6757%0.57234%0.335SS*.SBendtrans-132.968.6179.8-60.6-76.3000111.4D351 L356D351-N354 PolarHBondContact OD1-N 3.39Å; N354-L356 VanDerWaalsContact C-N 3.29Å; N354-L356 PolarHBondContact O-N 3.03Å
355P82.3Confident88Confident46 Ų4669 Ų6930%0.29935%0.347SS..  trans-67.7-27.2-170.825.2-34.6000113.1A347 D348 D351A347-P355 CarbonylContact C-O 3.58Å; A347-P355 VanDerWaalsContact CA-O 3.29Å; A347-P355 WeakPolarHBondContact CA-O 2.96Å; D348-P355 PolarHBondContact N-O 2.88Å; D351-P355 VanDerWaalsContact O-CA 3.22Å; D351-P355 WeakPolarHBondContact O-CA 3.42Å; D351-P355 WeakPolarHBondContact O-CB 3.4Å
356L88.3Confident87.9Confident40 Ų4068.3 Ų68.321%0.20934%0.343CS..EExtended strand (participates in β ladder)trans-89.2125.4-173.7-64.6-170.1000113L345 F346 A347 N354 P379 Q401L345-L356 HydrophobicContact CD1-CD1 4.38Å; F346-L356 WeakPolarHBondContact O-CA 3.2Å; A347-L356 HydrophobicContact CB-CD2 4.07Å; N354-L356 VanDerWaalsContact C-N 3.29Å; N354-L356 PolarHBondContact O-N 3.03Å; L356-P379 HydrophobicContact CB-CB 3.63Å; L356-P379 HydrophobicContact CB-CG 3.94Å; L356-P379 HydrophobicContact CD1-CB 4.44Å; L356-P379 WeakPolarHBondContact O-CD 3.37Å; L356-Q401 HydrophobicContact CD1-CG 3.93Å
357Q91.6Very high88Confident17 Ų1768.2 Ų68.28%0.07935%0.352CS..EExtended strand (participates in β ladder)trans-135.8158.8179.8-56.7179.6-700110.9L345 F346 P375L345-Q357 WeakPolarHBondContact CA-O 3.18Å; F346-Q357 HydrophobicContact CD1-CB 4.43Å; F346-Q357 HydrophobicContact CE1-CB 3.81Å; F346-Q357 HydrophobicContact CZ-CB 4.02Å; F346-Q357 PolarHBondContact N-O 2.88Å; F346-Q357 PolarHBondContact O-N 3.32Å; Q357-P375 HydrophobicContact CB-CB 4.13Å
358C94.6Very high88.4Confident0 Ų067.5 Ų67.50%035%0.347CS..EExtended strand (participates in β ladder)trans-93.9137.3174.3-68.50000110.8L342 G344 P375 M376 S378 R380L342-C358 HydrophobicContact CD1-CB 4.18Å; G344-C358 PolarHBondContact O-SG 3.31Å; C358-P375 WeakPolarHBondContact O-CA 3.45Å; C358-P375 WeakPolarHBondContact O-CB 3.18Å; C358-M376 HydrophobicContact CB-CB 4.26Å; C358-M376 HydrophobicContact CB-CE 3.89Å; C358-M376 PolarHBondContact N-O 2.94Å; C358-M376 PolarHBondContact O-N 3.14Å; C358-S378 PolarHBondContact SG-O 2.88Å; C358-S378 VanDerWaalsContact SG-O 3.4Å; C358-R380 PolarHBondContact SG-O 3.25Å
359Y96.4Very high89Confident77 Ų7771.3 Ų71.330%0.30236%0.363SS..EExtended strand (participates in β ladder)trans-65.4140.5174-65.4-77.7000110.8P326 L342 G343 L345 F346 Y361P326-Y359 HydrophobicContact CG-CD2 4.22Å; L342-Y359 WeakPolarHBondContact CA-O 3.44Å; L342-Y359 WeakPolarHBondContact CD1-O 3.37Å; G343-Y359 PolarHBondContact N-O 3.03Å; G343-Y359 WeakPolarHBondContact O-CB 3.38Å; G343-Y359 PolarHBondContact O-N 3.4Å; L345-Y359 WeakPolarHBondContact O-CE2 3.11Å; F346-Y359 HydrophobicContact CB-CE1 3.83Å; F346-Y359 HydrophobicContact CB-CE2 3.87Å; F346-Y359 VanDerWaalsContact CB-CZ 3.4Å; F346-Y359 VanDerWaalsContact CB-OH 3.28Å; F346-Y359 WeakPolarHBondContact CB-OH 3.11Å; F346-Y359 AromaticContact CD1-CD1 3.65Å; F346-Y359 HydrophobicContact CD1-CD1 3.65Å; F346-Y359 HydrophobicContact CD1-CD2 4.31Å; F346-Y359 AromaticContact CD1-CE1 3.59Å; F346-Y359 HydrophobicContact CD1-CE1 3.59Å; F346-Y359 HydrophobicContact CD1-CE2 4.27Å; F346-Y359 HydrophobicContact CD1-CG 4.04Å; F346-Y359 AromaticContact CD1-CZ 3.95Å; F346-Y359 HydrophobicContact CE1-CD1 4.16Å; F346-Y359 HydrophobicContact CE1-CE1 4.38Å; F346-Y359 HydrophobicContact CG-CD1 4.35Å; F346-Y359 AromaticContact CG-CE1 3.82Å; F346-Y359 HydrophobicContact CG-CE1 3.82Å; F346-Y359 AromaticContact CG-CZ 3.94Å; Y359-Y361 VanDerWaalsContact CB-CE2 3.49Å; Y359-Y361 HydrophobicContact CD1-CE2 4.25Å; Y359-Y361 WeakPolarHBondContact CD1-OH 3.36Å; Y359-Y361 HydrophobicContact CG-CE2 4.06Å
360F97.7Very high89.6Confident3 Ų363.9 Ų63.91%0.01333%0.327CS..EExtended strand (participates in β ladder)trans-132.6125177.2-170.1-139.9000110.4Y340 V341 L342 L373 I392 Y412 W419Y340-F360 HydrophobicContact CD1-CE1 4.47Å; Y340-F360 HydrophobicContact CD1-CE2 4.04Å; Y340-F360 AromaticContact CD1-CZ 3.68Å; Y340-F360 HydrophobicContact CD1-CZ 3.68Å; Y340-F360 HydrophobicContact CE1-CZ 4.41Å; Y340-F360 HydrophobicContact CG-CE2 4.34Å; Y340-F360 HydrophobicContact CG-CZ 4.25Å; V341-F360 WeakPolarHBondContact O-CA 3.27Å; V341-F360 WeakPolarHBondContact O-CD2 3.27Å; L342-F360 HydrophobicContact CB-CD2 3.87Å; L342-F360 HydrophobicContact CB-CE2 4.28Å; L342-F360 HydrophobicContact CD1-CB 3.83Å; L342-F360 HydrophobicContact CD1-CD2 3.68Å; L342-F360 HydrophobicContact CD1-CG 3.99Å; L342-F360 HydrophobicContact CG-CD2 4.27Å; F360-L373 HydrophobicContact CB-CB 4.34Å; F360-L373 HydrophobicContact CD1-CB 3.46Å; F360-L373 VanDerWaalsContact CD1-CB 3.46Å; F360-L373 HydrophobicContact CD1-CD1 3.74Å; F360-L373 HydrophobicContact CD1-CG 4.25Å; F360-L373 HydrophobicContact CE1-CB 4.05Å; F360-L373 HydrophobicContact CE1-CD1 3.47Å; F360-L373 VanDerWaalsContact CE1-CD1 3.47Å; F360-L373 HydrophobicContact CE1-CG 4.43Å; F360-L373 HydrophobicContact CG-CB 4.11Å; F360-L373 HydrophobicContact CG-CD1 4.45Å; F360-L373 HydrophobicContact CZ-CD1 4.02Å; F360-L373 PolarHBondContact O-N 3.07Å; F360-I392 HydrophobicContact CZ-CD1 3.92Å; F360-Y412 HydrophobicContact CD1-CD2 4.5Å; F360-Y412 HydrophobicContact CD1-CE2 4.46Å; F360-Y412 AromaticContact CE1-CD1 3.54Å; F360-Y412 HydrophobicContact CE1-CD1 3.54Å; F360-Y412 HydrophobicContact CE1-CD2 4.06Å; F360-Y412 AromaticContact CE1-CE1 3.66Å; F360-Y412 HydrophobicContact CE1-CE1 3.66Å; F360-Y412 HydrophobicContact CE1-CE2 4.18Å; F360-Y412 AromaticContact CE1-CG 3.71Å; F360-Y412 HydrophobicContact CE1-CG 3.71Å; F360-Y412 AromaticContact CE1-CZ 3.97Å; F360-Y412 HydrophobicContact CZ-CD1 4.1Å; F360-Y412 HydrophobicContact CZ-CE1 4.48Å; F360-Y412 HydrophobicContact CZ-CG 4.4Å; F360-W419 AromaticContact CD1-CZ2 3.61Å; F360-W419 HydrophobicContact CD1-CZ2 3.61Å; F360-W419 HydrophobicContact CD2-CZ2 4.33Å; F360-W419 HydrophobicContact CE1-CH2 4.49Å; F360-W419 AromaticContact CE1-CZ2 3.75Å; F360-W419 HydrophobicContact CE1-CZ2 3.75Å; F360-W419 HydrophobicContact CE2-CZ2 4.43Å; F360-W419 AromaticContact CG-CZ2 3.94Å; F360-W419 HydrophobicContact CG-CZ2 3.94Å; F360-W419 HydrophobicContact CZ-CZ2 4.17Å
361Y98.2Very high90.3Very high21 Ų2159 Ų598%0.08231%0.306CS..EExtended strand (participates in β ladder)trans-130.4151.5-175.9-61.4-79.2000111.5R324 I325 Y340 V341 Y359 W370 L371 A372R324-Y361 PolarHBondContact O-OH 3.02Å; I325-Y361 HydrophobicContact CD1-CD2 3.53Å; I325-Y361 HydrophobicContact CD1-CE2 4.09Å; I325-Y361 HydrophobicContact CD1-CG 3.86Å; Y340-Y361 CarbonylContact C-O 3.44Å; Y340-Y361 VanDerWaalsContact CA-O 3.29Å; Y340-Y361 WeakPolarHBondContact CA-O 3.41Å; V341-Y361 PolarHBondContact N-O 2.84Å; V341-Y361 PolarHBondContact O-N 3.33Å; Y359-Y361 VanDerWaalsContact CB-CE2 3.49Å; Y359-Y361 HydrophobicContact CD1-CE2 4.25Å; Y359-Y361 WeakPolarHBondContact CD1-OH 3.36Å; Y359-Y361 HydrophobicContact CG-CE2 4.06Å; Y361-W370 HydrophobicContact CD1-CB 4.36Å; Y361-L371 CarbonylContact C-O 3.58Å; Y361-L371 VanDerWaalsContact CA-O 3.28Å; Y361-L371 WeakPolarHBondContact CA-O 3.39Å; Y361-A372 HydrophobicContact CD1-CB 4.13Å; Y361-A372 HydrophobicContact CE1-CB 3.93Å
362Q98Very high91Very high41 Ų4160.1 Ų60.119%0.19232%0.323CS..EExtended strand (participates in β ladder)trans-122.5137.4167.4178.2178.22.300109.9L339 Y340 L371 L373L339-Q362 WeakPolarHBondContact O-CA 3.43Å; Y340-Q362 HydrophobicContact CD1-CB 3.87Å; Y340-Q362 HydrophobicContact CD1-CG 4.16Å; Y340-Q362 HydrophobicContact CE1-CB 3.8Å; Y340-Q362 HydrophobicContact CE1-CG 3.79Å; Q362-L371 PolarHBondContact N-O 3.45Å; Q362-L371 PolarHBondContact O-N 3.43Å; Q362-L373 HydrophobicContact CB-CD1 3.82Å; Q362-L373 HydrophobicContact CB-CG 4.23Å
363L97.5Very high91.9Very high8 Ų851.9 Ų51.94%0.04229%0.288CS..EExtended strand (participates in β ladder)trans-77.4122.3173-179.964.5000110.4A320 L339 S365 W370A320-L363 HydrophobicContact CB-CD1 3.61Å; L339-L363 HydrophobicContact CB-CB 4.09Å; L339-L363 HydrophobicContact CD2-CB 4.29Å; L339-L363 HydrophobicContact CD2-CD2 3.97Å; L339-L363 HydrophobicContact CG-CB 4.4Å; L339-L363 PolarHBondContact O-N 2.82Å; L363-S365 PolarHBondContact O-N 3.19Å; L363-W370 HydrophobicContact CB-CE3 4Å; L363-W370 HydrophobicContact CB-CH2 4.14Å; L363-W370 HydrophobicContact CB-CZ3 3.75Å; L363-W370 HydrophobicContact CD1-CD2 4.34Å; L363-W370 HydrophobicContact CD1-CZ2 4.49Å
364D94Very high92.9Very high38 Ų3846 Ų4620%0.20327%0.265CS..EExtended strand (participates in β ladder)trans-84.798.7158.6-171.8-24.9000108.3L366 A367 A368 E369 L371D364-L366 PolarHBondContact O-N 2.92Å; D364-L366 WeakPolarHBondContact OD1-CB 3.5Å; D364-L366 PolarHBondContact OD1-N 2.84Å; D364-A367 HydrophobicContact CB-CB 4.13Å; D364-A367 PolarHBondContact O-N 3.49Å; D364-A367 PolarHBondContact OD1-N 2.94Å; D364-A367 VanDerWaalsContact OD1-N 3.13Å; D364-A368 WeakPolarHBondContact O-CA 3.49Å; D364-A368 PolarHBondContact O-N 3.28Å; D364-E369 PolarHBondContact N-O 2.86Å; D364-E369 PolarHBondContact O-N 3.49Å; D364-L371 HydrophobicContact CB-CD1 4.08Å; D364-L371 HydrophobicContact CB-CG 4.21Å
365S90.8Very high93.9Very high56 Ų5642.9 Ų42.939%0.39225%0.25SS..THydrogen-bonded Turntrans-69.4-15.2-178.657.50000114L363L363-S365 PolarHBondContact O-N 3.19Å
366L87.8Confident94.5Very high42 Ų4240.7 Ų40.722%0.2224%0.236CC..THydrogen-bonded Turntrans-84-40.1175.9-62171.4000110.8D160 R161 D364 R594D160-L366 HydrophobicContact CB-CD1 4.23Å; D160-L366 HydrophobicContact CB-CD2 4.44Å; R161-L366 HydrophobicContact CG-CD1 3.89Å; D364-L366 PolarHBondContact O-N 2.92Å; D364-L366 WeakPolarHBondContact OD1-CB 3.5Å; D364-L366 PolarHBondContact OD1-N 2.84Å; L366-R594 VanDerWaalsContact CD2-NH1 3.34Å
367A88.9Confident94.6Very high51 Ų5142.3 Ų42.342%0.42125%0.249SC..THydrogen-bonded Turntrans-86.2-14.6177.800000113.6D364 E369D364-A367 HydrophobicContact CB-CB 4.13Å; D364-A367 PolarHBondContact O-N 3.49Å; D364-A367 PolarHBondContact OD1-N 2.94Å; D364-A367 VanDerWaalsContact OD1-N 3.13Å; A367-E369 VanDerWaalsContact C-N 3.28Å; A367-E369 HydrophobicContact CB-CB 4.31Å; A367-E369 HydrophobicContact CB-CG 4.36Å; A367-E369 PolarHBondContact O-N 3.37Å
368A93.4Very high94.6Very high49 Ų4942.1 Ų42.141%0.40525%0.249SC..THydrogen-bonded Turntrans58.437.9-171.300000112.9A319 A320 D364A319-A368 VanDerWaalsContact O-CB 3.28Å; A319-A368 WeakPolarHBondContact O-CB 3.25Å; A320-A368 WeakPolarHBondContact CB-O 3.02Å; D364-A368 WeakPolarHBondContact O-CA 3.49Å; D364-A368 PolarHBondContact O-N 3.28Å
369E95.2Very high94.5Very high124 Ų12443.2 Ų43.258%0.57926%0.257SS*.EExtended strand (participates in β ladder)trans-129.1153.1-175.7-70.5-174.4170.500112.3D364 A367D364-E369 PolarHBondContact N-O 2.86Å; D364-E369 PolarHBondContact O-N 3.49Å; A367-E369 VanDerWaalsContact C-N 3.28Å; A367-E369 HydrophobicContact CB-CB 4.31Å; A367-E369 HydrophobicContact CB-CG 4.36Å; A367-E369 PolarHBondContact O-N 3.37Å
370W97.4Very high94.4Very high26 Ų2639.8 Ų39.810%0.09824%0.243CC..EExtended strand (participates in β ladder)trans-94116.7173.5-67.4101.2000111I301 A306 M321 S322 I325 L339 V341 Y361 L363I301-W370 HydrophobicContact CG1-CH2 4.47Å; I301-W370 HydrophobicContact CG1-CZ2 4.5Å; I301-W370 HydrophobicContact CG2-CH2 4.19Å; I301-W370 HydrophobicContact CG2-CZ2 3.9Å; A306-W370 HydrophobicContact CB-CZ2 4.04Å; M321-W370 PolarHBondContact O-NE1 2.91Å; M321-W370 VanDerWaalsContact O-NE1 3.16Å; S322-W370 PolarHBondContact OG-NE1 3.16Å; I325-W370 HydrophobicContact CD1-CD2 3.75Å; I325-W370 HydrophobicContact CD1-CE3 4.02Å; I325-W370 HydrophobicContact CD1-CG 4.03Å; I325-W370 HydrophobicContact CD1-CZ2 4.36Å; I325-W370 HydrophobicContact CD1-CZ3 4.44Å; I325-W370 HydrophobicContact CG1-CD2 4.17Å; I325-W370 HydrophobicContact CG1-CG 4.4Å; I325-W370 HydrophobicContact CG1-CZ2 4.17Å; L339-W370 HydrophobicContact CD2-CH2 3.78Å; L339-W370 HydrophobicContact CD2-CZ3 4.4Å; L339-W370 HydrophobicContact CG-CH2 4.15Å; L339-W370 HydrophobicContact CG-CZ3 4.34Å; V341-W370 HydrophobicContact CB-CH2 4.45Å; V341-W370 HydrophobicContact CB-CZ3 4.14Å; V341-W370 HydrophobicContact CG2-CE3 4.46Å; V341-W370 HydrophobicContact CG2-CH2 3.36Å; V341-W370 HydrophobicContact CG2-CZ2 4.36Å; V341-W370 HydrophobicContact CG2-CZ3 3.43Å; V341-W370 VanDerWaalsContact CG2-CZ3 3.43Å; Y361-W370 HydrophobicContact CD1-CB 4.36Å; L363-W370 HydrophobicContact CB-CE3 4Å; L363-W370 HydrophobicContact CB-CH2 4.14Å; L363-W370 HydrophobicContact CB-CZ3 3.75Å; L363-W370 HydrophobicContact CD1-CD2 4.34Å; L363-W370 HydrophobicContact CD1-CZ2 4.49Å
371L96.1Very high94.3Very high77 Ų7740.9 Ų40.940%0.40325%0.25SS..EExtended strand (participates in β ladder)trans-84.9121.8173.8-59.1177.8000109.5Y361 Q362 D364 L373Y361-L371 CarbonylContact C-O 3.58Å; Y361-L371 VanDerWaalsContact CA-O 3.28Å; Y361-L371 WeakPolarHBondContact CA-O 3.39Å; Q362-L371 PolarHBondContact N-O 3.45Å; Q362-L371 PolarHBondContact O-N 3.43Å; D364-L371 HydrophobicContact CB-CD1 4.08Å; D364-L371 HydrophobicContact CB-CG 4.21Å; L371-L373 PolarHBondContact O-N 2.79Å
372A96.1Very high94.2Very high77 Ų7743.2 Ų43.264%0.63626%0.264SS*.EExtended strand (participates in β ladder)trans-70.2128.7171.700000109.9Y361Y361-A372 HydrophobicContact CD1-CB 4.13Å; Y361-A372 HydrophobicContact CE1-CB 3.93Å
373L96.9Very high94.2Very high20 Ų2041.7 Ų41.711%0.10526%0.257CS..EExtended strand (participates in β ladder)trans-106.2164.1175.3-64.8-176.1000109.9Y340 F360 Q362 L371 P375 Y412 M417Y340-L373 HydrophobicContact CD1-CD1 3.83Å; Y340-L373 HydrophobicContact CE1-CD1 3.73Å; F360-L373 HydrophobicContact CB-CB 4.34Å; F360-L373 HydrophobicContact CD1-CB 3.46Å; F360-L373 VanDerWaalsContact CD1-CB 3.46Å; F360-L373 HydrophobicContact CD1-CD1 3.74Å; F360-L373 HydrophobicContact CD1-CG 4.25Å; F360-L373 HydrophobicContact CE1-CB 4.05Å; F360-L373 HydrophobicContact CE1-CD1 3.47Å; F360-L373 VanDerWaalsContact CE1-CD1 3.47Å; F360-L373 HydrophobicContact CE1-CG 4.43Å; F360-L373 HydrophobicContact CG-CB 4.11Å; F360-L373 HydrophobicContact CG-CD1 4.45Å; F360-L373 HydrophobicContact CZ-CD1 4.02Å; F360-L373 PolarHBondContact O-N 3.07Å; Q362-L373 HydrophobicContact CB-CD1 3.82Å; Q362-L373 HydrophobicContact CB-CG 4.23Å; L371-L373 PolarHBondContact O-N 2.79Å; L373-P375 VanDerWaalsContact O-N 3.12Å; L373-Y412 HydrophobicContact CD1-CE1 4.3Å; L373-M417 HydrophobicContact CD2-CE 3.65Å
374P95.4Very high94.2Very high47 Ų4741.8 Ų41.831%0.30526%0.259SS..EExtended strand (participates in β ladder)trans-47.5122.6171.2-30.436.2000110.8Y412 M417 W419P374-Y412 HydrophobicContact CB-CE2 4.25Å; P374-Y412 WeakPolarHBondContact CD-OH 3.28Å; P374-Y412 HydrophobicContact CG-CE2 4.34Å; P374-M417 HydrophobicContact CG-CB 4.44Å; P374-W419 PolarHBondContact O-NE1 3.24Å
375P95.1Very high94.4Very high41 Ų4140.4 Ų40.427%0.26625%0.251SS..EExtended strand (participates in β ladder)trans-65.7153.4-174.630-39.1000110.8F346 Q357 C358 L373 P377 W419F346-P375 HydrophobicContact CE1-CB 3.56Å; F346-P375 HydrophobicContact CE1-CG 4.2Å; F346-P375 HydrophobicContact CZ-CB 3.76Å; F346-P375 HydrophobicContact CZ-CG 3.85Å; Q357-P375 HydrophobicContact CB-CB 4.13Å; C358-P375 WeakPolarHBondContact O-CA 3.45Å; C358-P375 WeakPolarHBondContact O-CB 3.18Å; L373-P375 VanDerWaalsContact O-N 3.12Å; P375-P377 WeakPolarHBondContact O-CD 3.34Å; P375-W419 PolarHBondContact O-NE1 3.27Å
376M94.8Very high94.8Very high0 Ų037.7 Ų37.70%023%0.233CC..EExtended strand (participates in β ladder)trans-77.1121.5176.1-179.5178.163.900108.9L342 C358 S378 R380 F383 A394 M410 W419L342-M376 HydrophobicContact CD1-CB 3.84Å; L342-M376 HydrophobicContact CD1-CE 4.34Å; L342-M376 HydrophobicContact CD2-CE 4.05Å; L342-M376 HydrophobicContact CD2-SD 3.92Å; L342-M376 HydrophobicContact CG-CE 4.37Å; C358-M376 HydrophobicContact CB-CB 4.26Å; C358-M376 HydrophobicContact CB-CE 3.89Å; C358-M376 PolarHBondContact N-O 2.94Å; C358-M376 PolarHBondContact O-N 3.14Å; M376-S378 WeakPolarHBondContact CE-O 3.34Å; M376-S378 PolarHBondContact O-N 2.94Å; M376-R380 HydrophobicContact CE-CG 3.74Å; M376-F383 HydrophobicContact CE-CE1 4.42Å; M376-F383 HydrophobicContact CE-CZ 4.4Å; M376-A394 HydrophobicContact SD-CB 3.65Å; M376-M410 HydrophobicContact CG-CB 4.2Å; M376-M410 HydrophobicContact CG-CG 4.1Å; M376-M410 HydrophobicContact SD-CB 3.75Å; M376-M410 HydrophobicContact SD-CG 3.75Å; M376-W419 HydrophobicContact CB-CD2 4.26Å; M376-W419 HydrophobicContact CB-CH2 4.21Å; M376-W419 HydrophobicContact CB-CZ2 3.82Å; M376-W419 HydrophobicContact CG-CD2 4.25Å; M376-W419 HydrophobicContact CG-CE3 4.21Å; M376-W419 HydrophobicContact CG-CH2 4.29Å; M376-W419 HydrophobicContact CG-CZ2 4.33Å; M376-W419 HydrophobicContact CG-CZ3 4.23Å; M376-W419 HydrophobicContact SD-CH2 4.26Å; M376-W419 HydrophobicContact SD-CZ3 4.19Å
377P91.8Very high95.3Very high73 Ų7336.7 Ų36.747%0.47423%0.227SC..SBendtrans-80.551.2-176.735.5-37.5000111.1P375 M410 W419P375-P377 WeakPolarHBondContact O-CD 3.34Å; P377-M410 HydrophobicContact CG-CE 4Å; P377-W419 HydrophobicContact CG-CB 4.26Å
378S90.9Very high95.7Very high14 Ų1435.3 Ų35.310%0.09821%0.211CC..SBendtrans-155.5113.3173.8-175.20000110.5C358 M376 R380C358-S378 PolarHBondContact SG-O 2.88Å; C358-S378 VanDerWaalsContact SG-O 3.4Å; M376-S378 WeakPolarHBondContact CE-O 3.34Å; M376-S378 PolarHBondContact O-N 2.94Å; S378-R380 PolarHBondContact O-N 3.19Å; S378-R380 VanDerWaalsContact OG-CZ 3.31Å; S378-R380 PolarHBondContact OG-NE 2.95Å; S378-R380 PolarHBondContact OG-NH2 3.08Å
379P91.7Very high95.7Very high23 Ų2338.2 Ų38.215%0.14922%0.217CC..  trans-77.5109.8-177.330.9-34000111.2L345 L356L345-P379 HydrophobicContact CD2-CB 3.45Å; L345-P379 VanDerWaalsContact CD2-CB 3.45Å; L356-P379 HydrophobicContact CB-CB 3.63Å; L356-P379 HydrophobicContact CB-CG 3.94Å; L356-P379 HydrophobicContact CD1-CB 4.44Å; L356-P379 WeakPolarHBondContact O-CD 3.37Å
380R94.1Very high95.7Very high5 Ų533.8 Ų33.82%0.01920%0.197CC..EExtended strand (participates in β ladder)trans-153.3161-178.359179.377-169.45.7113.4C358 M376 S378 F383 A396 K398 T408C358-R380 PolarHBondContact SG-O 3.25Å; M376-R380 HydrophobicContact CE-CG 3.74Å; S378-R380 PolarHBondContact O-N 3.19Å; S378-R380 VanDerWaalsContact OG-CZ 3.31Å; S378-R380 PolarHBondContact OG-NE 2.95Å; S378-R380 PolarHBondContact OG-NH2 3.08Å; R380-F383 HydrophobicContact CB-CD1 4.35Å; R380-F383 HydrophobicContact CG-CD1 3.59Å; R380-F383 HydrophobicContact CG-CE1 3.95Å; R380-F383 HydrophobicContact CG-CG 4.39Å; R380-F383 WeakPolarHBondContact O-CE1 3.38Å; R380-A396 VanDerWaalsContact CD-O 3.24Å; R380-A396 WeakPolarHBondContact CD-O 3.45Å; R380-A396 PolarHBondContact NH1-O 2.81Å; R380-K398 CarbonylContact C-O 3.5Å; R380-K398 WeakPolarHBondContact CA-O 3.44Å; R380-K398 WeakPolarHBondContact CB-O 3.4Å; R380-T408 PolarHBondContact NH1-O 3.35Å; R380-T408 PolarHBondContact NH1-OG1 3.17Å; R380-T408 VanDerWaalsContact NH1-OG1 3.08Å; R380-T408 PolarHBondContact NH2-OG1 2.89Å
381C95.6Very high95.8Very high25 Ų2533.3 Ų33.317%0.16920%0.196CC..EExtended strand (participates in β ladder)trans-130.4177.4169.866.10000110.7F383 G397 K398 L400C381-F383 PolarHBondContact O-N 2.86Å; C381-G397 CarbonylContact O-C 3.52Å; C381-G397 WeakPolarHBondContact O-CA 3.34Å; C381-K398 PolarHBondContact N-O 3.22Å; C381-K398 PolarHBondContact O-N 3.38Å; C381-L400 HydrophobicContact CB-CD1 4.08Å; C381-L400 HydrophobicContact CB-CD2 4.08Å; C381-L400 HydrophobicContact CB-CG 4.16Å; C381-L400 VanDerWaalsContact SG-CD2 3.51Å
382L96.4Very high95.9Very high70 Ų7029.8 Ų29.837%0.36618%0.178SC..SBendtrans53.525.7175.1-55177.7000114.2H430 G431 M479L382-H430 HydrophobicContact CB-CB 4.07Å; L382-G431 PolarHBondContact O-N 3.39Å; L382-M479 HydrophobicContact CD2-CE 3.83Å; L382-M479 HydrophobicContact CD2-SD 3.93Å
383F97.8Very high96Very high9 Ų926.1 Ų26.14%0.03915%0.147CC..  trans-87.5173.7165.861-89.5000108.9V330 L342 M376 R380 C381 M385 A394 V395 A396V330-F383 HydrophobicContact CB-CE2 4.31Å; V330-F383 HydrophobicContact CG2-CD2 4.42Å; V330-F383 HydrophobicContact CG2-CE2 4.15Å; V330-F383 WeakPolarHBondContact CG2-O 3.44Å; L342-F383 HydrophobicContact CB-CE2 4.2Å; L342-F383 HydrophobicContact CB-CZ 4.29Å; L342-F383 HydrophobicContact CD2-CD2 4.48Å; L342-F383 HydrophobicContact CD2-CE2 3.56Å; L342-F383 HydrophobicContact CD2-CZ 3.93Å; L342-F383 HydrophobicContact CG-CE2 3.79Å; L342-F383 HydrophobicContact CG-CZ 3.72Å; M376-F383 HydrophobicContact CE-CE1 4.42Å; M376-F383 HydrophobicContact CE-CZ 4.4Å; R380-F383 HydrophobicContact CB-CD1 4.35Å; R380-F383 HydrophobicContact CG-CD1 3.59Å; R380-F383 HydrophobicContact CG-CE1 3.95Å; R380-F383 HydrophobicContact CG-CG 4.39Å; R380-F383 WeakPolarHBondContact O-CE1 3.38Å; C381-F383 PolarHBondContact O-N 2.86Å; F383-M385 HydrophobicContact CE2-CG 4.27Å; F383-A394 HydrophobicContact CD2-CB 4.12Å; F383-A394 HydrophobicContact CE2-CB 4.39Å; F383-V395 VanDerWaalsContact CB-O 3.32Å; F383-V395 WeakPolarHBondContact CB-O 3.37Å; F383-A396 WeakPolarHBondContact CB-O 3.33Å
384A98.2Very high96.1Very high11 Ų1125.2 Ų25.29%0.09114%0.142CC..EExtended strand (participates in β ladder)trans-134.6161.1170.300000110.4V395 V434A384-V395 PolarHBondContact O-N 3.05Å; A384-V434 HydrophobicContact CB-CB 3.77Å; A384-V434 HydrophobicContact CB-CG2 3.71Å
385M98.6Very high96.2Very high8 Ų823 Ų234%0.03913%0.128CC..EExtended strand (participates in β ladder)trans-109.9145.3-176.6-69-164.6-70.200112.9V330 L332 L342 F383 I392 F393 V434V330-M385 HydrophobicContact CB-CE 4.22Å; V330-M385 HydrophobicContact CG1-CB 4.4Å; V330-M385 HydrophobicContact CG1-CE 4.09Å; V330-M385 HydrophobicContact CG1-CG 4.28Å; V330-M385 WeakPolarHBondContact O-CE 3.29Å; L332-M385 HydrophobicContact CB-CB 4.06Å; L332-M385 HydrophobicContact CB-CE 3.75Å; L332-M385 HydrophobicContact CD2-CB 4.11Å; L342-M385 HydrophobicContact CB-CE 3.89Å; L342-M385 HydrophobicContact CB-SD 3.48Å; L342-M385 WeakPolarHBondContact CB-SD 3.38Å; L342-M385 HydrophobicContact CD2-CG 4.24Å; L342-M385 HydrophobicContact CD2-SD 3.75Å; L342-M385 HydrophobicContact CG-SD 4.28Å; F383-M385 HydrophobicContact CE2-CG 4.27Å; M385-I392 HydrophobicContact SD-CG2 4.11Å; M385-F393 CarbonylContact C-O 3.2Å; M385-F393 WeakPolarHBondContact CA-O 3.36Å; M385-V434 WeakPolarHBondContact O-CG1 3.35Å
386G98.3Very high96.4Very high0 Ų021 Ų210%012%0.115CC..EExtended strand (participates in β ladder)trans-137172.5169.100000111.5I392 F393 S436G386-I392 CarbonylContact O-C 3.55Å; G386-I392 WeakPolarHBondContact O-CA 3.39Å; G386-F393 PolarHBondContact N-O 2.69Å; G386-F393 PolarHBondContact O-N 3.47Å; G386-S436 VanDerWaalsContact CA-OG 3.25Å; G386-S436 WeakPolarHBondContact CA-OG 3.44Å
387E98.2Very high96.5Very high21 Ų2121 Ų2110%0.09812%0.115CC..EExtended strand (participates in β ladder)trans-132.9155.3179.858.9159.7-16300113.2L332 T334 K335 L391 S436L332-E387 HydrophobicContact CD2-CB 4.13Å; T334-E387 WeakPolarHBondContact CA-OE2 3.16Å; T334-E387 WeakPolarHBondContact CB-OE2 3.42Å; T334-E387 WeakPolarHBondContact CG2-OE2 3.47Å; K335-E387 WeakPolarHBondContact CB-OE1 3.38Å; K335-E387 VanDerWaalsContact CG-OE1 3.23Å; K335-E387 WeakPolarHBondContact CG-OE1 3.48Å; K335-E387 PolarHBondContact N-OE1 3.09Å; K335-E387 PolarHBondContact N-OE2 3.13Å; E387-L391 CarbonylContact C-O 3.53Å; E387-L391 VanDerWaalsContact CA-O 3.26Å; E387-L391 WeakPolarHBondContact CA-O 3.37Å; E387-S436 PolarHBondContact N-OG 3.35Å; E387-S436 WeakPolarHBondContact O-CB 3.26Å; E387-S436 PolarHBondContact O-OG 3.42Å
388F97.1Very high96.6Very high22 Ų2219.4 Ų19.410%0.09610%0.101CC..EExtended strand (participates in β ladder)trans-147.8113.8164.7179.7-100.8000109.5N390 L391 F393 G439 H462 K463F388-N390 PolarHBondContact O-N 2.95Å; F388-L391 PolarHBondContact N-O 3.36Å; F388-L391 WeakPolarHBondContact O-CB 3.4Å; F388-L391 PolarHBondContact O-N 3.48Å; F388-F393 HydrophobicContact CB-CE2 3.69Å; F388-F393 HydrophobicContact CB-CZ 4.37Å; F388-G439 WeakPolarHBondContact CD2-O 3.44Å; F388-G439 WeakPolarHBondContact CE2-O 3.44Å; F388-H462 HydrophobicContact CD1-CB 4.44Å; F388-K463 HydrophobicContact CE1-CD 4.35Å; F388-K463 HydrophobicContact CE1-CG 4.17Å; F388-K463 HydrophobicContact CZ-CD 3.92Å; F388-K463 VanDerWaalsContact CZ-CE 3.42Å; F388-K463 HydrophobicContact CZ-CG 4.14Å
389E94.8Very high96.5Very high110 Ų11019.8 Ų19.851%0.51410%0.102SC..THydrogen-bonded Turntrans58.2-96.9178.9-62.8175.9-176.900113.8K463E389-K463 IonicContact OE1-NZ 3.08Å; E389-K463 PolarHBondContact OE1-NZ 3.49Å
390N95.1Very high96Very high30 Ų3022.7 Ų22.716%0.1612%0.115CC..THydrogen-bonded Turntrans-111.57.617765.5-54.3000112.7F388 D413 T414 E415F388-N390 PolarHBondContact O-N 2.95Å; N390-D413 PolarHBondContact ND2-OD1 2.76Å; N390-D413 VanDerWaalsContact ND2-OD1 3.09Å; N390-T414 WeakPolarHBondContact O-CB 3.42Å; N390-T414 WeakPolarHBondContact O-CG2 2.99Å; N390-T414 PolarHBondContact O-N 2.93Å; N390-T414 PolarHBondContact O-OG1 3.04Å; N390-E415 HydrophobicContact CB-CG 4.25Å
391L98.2Very high95.4Very high17 Ų1729 Ų299%0.08915%0.145CC..EExtended strand (participates in β ladder)trans-108139-175.1-54.7179.2000111.2E387 F388 F393 Y412 D413 H462E387-L391 CarbonylContact C-O 3.53Å; E387-L391 VanDerWaalsContact CA-O 3.26Å; E387-L391 WeakPolarHBondContact CA-O 3.37Å; F388-L391 PolarHBondContact N-O 3.36Å; F388-L391 WeakPolarHBondContact O-CB 3.4Å; F388-L391 PolarHBondContact O-N 3.48Å; L391-F393 HydrophobicContact CB-CE2 3.74Å; L391-F393 HydrophobicContact CB-CZ 3.81Å; L391-F393 HydrophobicContact CD1-CZ 3.95Å; L391-Y412 WeakPolarHBondContact CA-O 3.41Å; L391-D413 HydrophobicContact CD2-CB 3.81Å; L391-H462 WeakPolarHBondContact CD1-CD2 3.37Å; L391-H462 VanDerWaalsContact CD1-NE2 3.26Å; L391-H462 WeakPolarHBondContact CD1-NE2 3.18Å
392I98.6Very high94.9Very high3 Ų330.9 Ų30.92%0.01516%0.159CC..EExtended strand (participates in β ladder)trans-116.7130174-61.7165.6000108.3L332 Y340 F360 M385 G386 C411 Y412 T414L332-I392 HydrophobicContact CD2-CG2 4.04Å; Y340-I392 HydrophobicContact CD1-CD1 3.68Å; Y340-I392 HydrophobicContact CD2-CD1 3.46Å; Y340-I392 VanDerWaalsContact CD2-CD1 3.46Å; Y340-I392 HydrophobicContact CE1-CD1 3.76Å; Y340-I392 HydrophobicContact CE2-CD1 3.54Å; Y340-I392 HydrophobicContact CG-CD1 3.53Å; F360-I392 HydrophobicContact CZ-CD1 3.92Å; M385-I392 HydrophobicContact SD-CG2 4.11Å; G386-I392 CarbonylContact O-C 3.55Å; G386-I392 WeakPolarHBondContact O-CA 3.39Å; I392-C411 CarbonylContact O-C 3.59Å; I392-C411 VanDerWaalsContact O-CA 3.3Å; I392-C411 WeakPolarHBondContact O-CA 3.36Å; I392-Y412 HydrophobicContact CD1-CD1 4.49Å; I392-Y412 PolarHBondContact N-O 3.42Å; I392-Y412 PolarHBondContact O-N 2.9Å; I392-T414 HydrophobicContact CD1-CG2 3.91Å; I392-T414 HydrophobicContact CG1-CG2 4.42Å
393F98.6Very high94.4Very high0 Ų032.6 Ų32.60%017%0.168CC..EExtended strand (participates in β ladder)trans-110.7124.2-178.4-59.2-89.4000110.1M385 G386 F388 L391 V395 V409 M410 C411 T422 V441 Y460 H462M385-F393 CarbonylContact C-O 3.2Å; M385-F393 WeakPolarHBondContact CA-O 3.36Å; G386-F393 PolarHBondContact N-O 2.69Å; G386-F393 PolarHBondContact O-N 3.47Å; F388-F393 HydrophobicContact CB-CE2 3.69Å; F388-F393 HydrophobicContact CB-CZ 4.37Å; L391-F393 HydrophobicContact CB-CE2 3.74Å; L391-F393 HydrophobicContact CB-CZ 3.81Å; L391-F393 HydrophobicContact CD1-CZ 3.95Å; F393-V395 HydrophobicContact CB-CG2 4.27Å; F393-V409 HydrophobicContact CB-CG1 4.29Å; F393-V409 HydrophobicContact CD1-CG1 4.03Å; F393-M410 CarbonylContact C-O 3.32Å; F393-M410 VanDerWaalsContact CA-O 3.26Å; F393-M410 WeakPolarHBondContact CA-O 3.33Å; F393-C411 HydrophobicContact CD1-CB 3.93Å; F393-C411 HydrophobicContact CE1-CB 3.86Å; F393-C411 VanDerWaalsContact CE1-SG 3.51Å; F393-T422 HydrophobicContact CE1-CG2 4.33Å; F393-V441 HydrophobicContact CD2-CG2 3.78Å; F393-V441 HydrophobicContact CE2-CG2 4.15Å; F393-V441 HydrophobicContact CG-CG2 4.45Å; F393-Y460 HydrophobicContact CD1-CE1 4.19Å; F393-Y460 HydrophobicContact CE1-CD1 4.39Å; F393-Y460 AromaticContact CE1-CE1 3.75Å; F393-Y460 HydrophobicContact CE1-CE1 3.75Å; F393-Y460 HydrophobicContact CZ-CE1 4.3Å; F393-H462 AromaticContact CE1-ND1 3.73Å; F393-H462 HydrophobicContact CZ-CB 4.04Å; F393-H462 AromaticContact CZ-CG 3.78Å; F393-H462 AromaticContact CZ-ND1 3.79Å
394A98.4Very high94.2Very high0 Ų037.2 Ų37.20%019%0.19CC..EExtended strand (participates in β ladder)trans-99.8114163.900000108.4L342 M376 F383 V409 M410L342-A394 HydrophobicContact CD2-CB 3.62Å; M376-A394 HydrophobicContact SD-CB 3.65Å; F383-A394 HydrophobicContact CD2-CB 4.12Å; F383-A394 HydrophobicContact CE2-CB 4.39Å; A394-V409 WeakPolarHBondContact O-CA 3.42Å; A394-M410 HydrophobicContact CB-CB 4.34Å; A394-M410 PolarHBondContact N-O 2.92Å; A394-M410 PolarHBondContact O-N 3.14Å
395V98.6Very high94.1Very high0 Ų036.8 Ų36.80%019%0.186CC..EExtended strand (participates in β ladder)trans-103.1128.6-169.2-178.70000109.9F383 A384 F393 V409 L425 H432 V434 C443 W467F383-V395 VanDerWaalsContact CB-O 3.32Å; F383-V395 WeakPolarHBondContact CB-O 3.37Å; A384-V395 PolarHBondContact O-N 3.05Å; F393-V395 HydrophobicContact CB-CG2 4.27Å; V395-V409 HydrophobicContact CG1-CG2 4.26Å; V395-V409 HydrophobicContact CG2-CG1 4.09Å; V395-L425 HydrophobicContact CG1-CD2 4.27Å; V395-H432 PolarHBondContact O-CE1 3.4Å; V395-H432 PolarHBondContact O-NE2 3.43Å; V395-H432 VanDerWaalsContact O-NE2 3.12Å; V395-V434 HydrophobicContact CB-CG2 3.86Å; V395-V434 HydrophobicContact CG1-CG2 4.39Å; V395-V434 HydrophobicContact CG2-CG1 4.49Å; V395-V434 HydrophobicContact CG2-CG2 3.9Å; V395-C443 HydrophobicContact CG1-CB 4.26Å; V395-W467 HydrophobicContact CG1-CH2 4.27Å; V395-W467 HydrophobicContact CG1-CZ2 4.48Å
396A97.8Very high93.9Very high0 Ų038.1 Ų38.10%019%0.192CC..EExtended strand (participates in β ladder)trans51-139.1169.400000112.5R380 F383 H406 T408 L425 I429R380-A396 VanDerWaalsContact CD-O 3.24Å; R380-A396 WeakPolarHBondContact CD-O 3.45Å; R380-A396 PolarHBondContact NH1-O 2.81Å; F383-A396 WeakPolarHBondContact CB-O 3.33Å; A396-H406 WeakPolarHBondContact CB-O 3.32Å; A396-T408 WeakPolarHBondContact CA-O 3.48Å; A396-T408 PolarHBondContact N-O 3.42Å; A396-L425 HydrophobicContact CB-CD2 4.08Å; A396-I429 HydrophobicContact CB-CG1 4.06Å; A396-I429 WeakPolarHBondContact CB-O 3.29Å
397G97Very high93.8Very high0 Ų039.9 Ų39.90%020%0.202CC..EExtended strand (participates in β ladder)trans108.2-166.2-177.900000112.4C381 S405 H406 I429C381-G397 CarbonylContact O-C 3.52Å; C381-G397 WeakPolarHBondContact O-CA 3.34Å; G397-S405 CarbonylContact O-C 3.58Å; G397-S405 WeakPolarHBondContact O-CA 3.19Å; G397-H406 PolarHBondContact O-N 2.97Å; G397-I429 PolarHBondContact N-O 3.09Å
398K94.3Very high93.8Very high40 Ų4039.6 Ų39.617%0.17420%0.201CC..EExtended strand (participates in β ladder)trans-122.9129.8-176.7-159177.7-166.9-171.80110.4R380 C381 N403 E404 H430R380-K398 CarbonylContact C-O 3.5Å; R380-K398 WeakPolarHBondContact CA-O 3.44Å; R380-K398 WeakPolarHBondContact CB-O 3.4Å; C381-K398 PolarHBondContact N-O 3.22Å; C381-K398 PolarHBondContact O-N 3.38Å; K398-N403 WeakPolarHBondContact CE-O 3.27Å; K398-N403 WeakPolarHBondContact CE-OD1 3.38Å; K398-N403 PolarHBondContact NZ-OD1 3.48Å; K398-E404 WeakPolarHBondContact CA-O 3.45Å; K398-H430 HydrophobicContact CB-CB 3.84Å
399D90.1Very high93.8Very high21 Ų2138.5 Ų38.511%0.11220%0.197CC..EExtended strand (participates in β ladder)trans-64.9133.9172.6-160.7-85.9000109.9Q401 S402 N403 E404 H406D399-Q401 WeakPolarHBondContact OD1-CA 3.5Å; D399-Q401 WeakPolarHBondContact OD1-CB 3.3Å; D399-Q401 PolarHBondContact OD1-N 3.36Å; D399-S402 WeakPolarHBondContact CB-OG 3.36Å; D399-S402 PolarHBondContact OD1-N 3.38Å; D399-S402 PolarHBondContact OD1-OG 3.11Å; D399-N403 WeakPolarHBondContact O-CA 3.48Å; D399-N403 PolarHBondContact O-N 3.02Å; D399-N403 VanDerWaalsContact O-N 3.13Å; D399-E404 PolarHBondContact N-O 3.46Å; D399-H406 VanDerWaalsContact CB-NE2 3.32Å; D399-H406 WeakPolarHBondContact CB-NE2 3.17Å; D399-H406 PolarHBondContact N-CD2 2.94Å; D399-H406 IonicContact OD2-CE1 2.88Å; D399-H406 IonicContact OD2-NE2 2.66Å; D399-H406 PolarHBondContact OD2-NE2 3.33Å
400L79.6Confident94Very high84 Ų8434 Ų3444%0.4418%0.176SC..THydrogen-bonded Turntrans-83.4-20-178.7-78.4165000113L345 C381L345-L400 HydrophobicContact CD1-CB 3.92Å; L345-L400 HydrophobicContact CD1-CD1 3.25Å; L345-L400 HydrophobicContact CD1-CG 4.19Å; L345-L400 HydrophobicContact CD2-CD1 4.05Å; L345-L400 HydrophobicContact CG-CD1 3.56Å; C381-L400 HydrophobicContact CB-CD1 4.08Å; C381-L400 HydrophobicContact CB-CD2 4.08Å; C381-L400 HydrophobicContact CB-CG 4.16Å; C381-L400 VanDerWaalsContact SG-CD2 3.51Å
401Q82.1Confident94.1Very high139 Ų13932.7 Ų32.765%0.6517%0.169SC*.THydrogen-bonded Turntrans-91.3-52.3177.2-65.5-176.1-12.600111.6L356 D399L356-Q401 HydrophobicContact CD1-CG 3.93Å; D399-Q401 WeakPolarHBondContact OD1-CA 3.5Å; D399-Q401 WeakPolarHBondContact OD1-CB 3.3Å; D399-Q401 PolarHBondContact OD1-N 3.36Å
402S85.5Confident94.2Very high64 Ų6431.9 Ų31.945%0.44817%0.165SC..THydrogen-bonded Turntrans-83.3-17.3-177.5730000113.2D399 E404D399-S402 WeakPolarHBondContact CB-OG 3.36Å; D399-S402 PolarHBondContact OD1-N 3.38Å; D399-S402 PolarHBondContact OD1-OG 3.11Å; S402-E404 PolarHBondContact O-N 2.8Å; S402-E404 WeakPolarHBondContact OG-CB 3.47Å; S402-E404 PolarHBondContact OG-N 3.24Å
403N86.6Confident94.1Very high105 Ų10532.6 Ų32.656%0.56117%0.168SC*.  trans60.919.4-174.3-159.944000113.2K398 D399K398-N403 WeakPolarHBondContact CE-O 3.27Å; K398-N403 WeakPolarHBondContact CE-OD1 3.38Å; K398-N403 PolarHBondContact NZ-OD1 3.48Å; D399-N403 WeakPolarHBondContact O-CA 3.48Å; D399-N403 PolarHBondContact O-N 3.02Å; D399-N403 VanDerWaalsContact O-N 3.13Å
404E92.9Very high94Very high106 Ų10634.5 Ų34.550%0.49518%0.18SC..PPolyproline II helixtrans-92.4152.1176-62.9-171169.200111.8K398 D399 S402K398-E404 WeakPolarHBondContact CA-O 3.45Å; D399-E404 PolarHBondContact N-O 3.46Å; S402-E404 PolarHBondContact O-N 2.8Å; S402-E404 WeakPolarHBondContact OG-CB 3.47Å; S402-E404 PolarHBondContact OG-N 3.24Å
405S95.4Very high93.7Very high3 Ų341.6 Ų41.62%0.02121%0.213CC..EExtended strand (participates in β ladder)trans-76.1144.1172.8-58.20000111.8G397 K428 H430 D449G397-S405 CarbonylContact O-C 3.58Å; G397-S405 WeakPolarHBondContact O-CA 3.19Å; S405-K428 WeakPolarHBondContact O-CD 3.35Å; S405-H430 PolarHBondContact OG-ND1 3.21Å; S405-D449 WeakPolarHBondContact CB-OD1 3.36Å; S405-D449 PolarHBondContact N-OD1 3.01Å; S405-D449 PolarHBondContact N-OD2 3.5Å; S405-D449 PolarHBondContact OG-OD1 3.29Å
406H94.2Very high93.6Very high36 Ų3649.1 Ų49.117%0.16725%0.246CC..EExtended strand (participates in β ladder)trans-96.5151.2175.7-78.2-78000111.3A396 G397 D399 K428 I429A396-H406 WeakPolarHBondContact CB-O 3.32Å; G397-H406 PolarHBondContact O-N 2.97Å; D399-H406 VanDerWaalsContact CB-NE2 3.32Å; D399-H406 WeakPolarHBondContact CB-NE2 3.17Å; D399-H406 PolarHBondContact N-CD2 2.94Å; D399-H406 IonicContact OD2-CE1 2.88Å; D399-H406 IonicContact OD2-NE2 2.66Å; D399-H406 PolarHBondContact OD2-NE2 3.33Å; H406-K428 WeakPolarHBondContact O-CA 3.33Å; H406-I429 PolarHBondContact O-N 3.24Å
407D96.8Very high93.5Very high37 Ų3753.5 Ų53.520%0.19827%0.268CS..EExtended strand (participates in β ladder)trans-115.8-5166.560.6-4.5000112.2K424 L425 K428D407-K424 CarbonylContact O-C 3.6Å; D407-K424 WeakPolarHBondContact O-CA 3.31Å; D407-L425 WeakPolarHBondContact O-CB 3.41Å; D407-L425 PolarHBondContact O-N 2.82Å; D407-K428 HydrophobicContact CB-CG 3.78Å
408T97.6Very high93.5Very high14 Ų1460 Ų609%0.08630%0.296CS..EExtended strand (participates in β ladder)trans-71.3147.8-178.249.80000111.5R380 A396 K424R380-T408 PolarHBondContact NH1-O 3.35Å; R380-T408 PolarHBondContact NH1-OG1 3.17Å; R380-T408 VanDerWaalsContact NH1-OG1 3.08Å; R380-T408 PolarHBondContact NH2-OG1 2.89Å; A396-T408 WeakPolarHBondContact CA-O 3.48Å; A396-T408 PolarHBondContact N-O 3.42Å; T408-K424 HydrophobicContact CG2-CD 4.39Å
409V98.4Very high93.7Very high0 Ų059.1 Ų59.10%029%0.291CS..EExtended strand (participates in β ladder)trans-126.3106.1-177.6-176.10000109F393 A394 V395 T422 L425 W467F393-V409 HydrophobicContact CB-CG1 4.29Å; F393-V409 HydrophobicContact CD1-CG1 4.03Å; A394-V409 WeakPolarHBondContact O-CA 3.42Å; V395-V409 HydrophobicContact CG1-CG2 4.26Å; V395-V409 HydrophobicContact CG2-CG1 4.09Å; V409-T422 WeakPolarHBondContact CB-OG1 3.43Å; V409-T422 WeakPolarHBondContact CG1-OG1 3.33Å; V409-T422 PolarHBondContact O-N 2.98Å; V409-T422 PolarHBondContact O-OG1 3.49Å; V409-T422 VanDerWaalsContact O-OG1 3.12Å; V409-L425 HydrophobicContact CG2-CB 4.49Å; V409-W467 HydrophobicContact CG2-CZ2 3.92Å
410M98.1Very high94Very high15 Ų1561.3 Ų61.37%0.07431%0.306CS..EExtended strand (participates in β ladder)trans-83.5134.5177.8-57.4-55.1-66.500109.3M376 P377 F393 A394 W419 E421M376-M410 HydrophobicContact CG-CB 4.2Å; M376-M410 HydrophobicContact CG-CG 4.1Å; M376-M410 HydrophobicContact SD-CB 3.75Å; M376-M410 HydrophobicContact SD-CG 3.75Å; P377-M410 HydrophobicContact CG-CE 4Å; F393-M410 CarbonylContact C-O 3.32Å; F393-M410 VanDerWaalsContact CA-O 3.26Å; F393-M410 WeakPolarHBondContact CA-O 3.33Å; A394-M410 HydrophobicContact CB-CB 4.34Å; A394-M410 PolarHBondContact N-O 2.92Å; A394-M410 PolarHBondContact O-N 3.14Å; M410-W419 HydrophobicContact CB-CE3 3.8Å; M410-W419 HydrophobicContact CB-CZ3 3.82Å; M410-E421 HydrophobicContact SD-CB 4.45Å
411C98.4Very high94.8Very high2 Ų262.4 Ų62.41%0.01431%0.309CS..EExtended strand (participates in β ladder)trans-123.7120.5-178.7179.50000109.7I392 F393 W419 T420 T422I392-C411 CarbonylContact O-C 3.59Å; I392-C411 VanDerWaalsContact O-CA 3.3Å; I392-C411 WeakPolarHBondContact O-CA 3.36Å; F393-C411 HydrophobicContact CD1-CB 3.93Å; F393-C411 HydrophobicContact CE1-CB 3.86Å; F393-C411 VanDerWaalsContact CE1-SG 3.51Å; C411-W419 CarbonylContact O-C 3.56Å; C411-W419 WeakPolarHBondContact O-CA 3.2Å; C411-T420 PolarHBondContact N-O 3.35Å; C411-T420 PolarHBondContact O-N 3.25Å; C411-T420 PolarHBondContact O-OG1 3.19Å; C411-T422 HydrophobicContact CB-CG2 3.4Å; C411-T422 VanDerWaalsContact CB-CG2 3.4Å
412Y98.6Very high95.6Very high1 Ų156.9 Ų56.90%0.00428%0.284CS..EExtended strand (participates in β ladder)trans-98.4125.1172.8-174.9-105.1000110.5F360 L373 P374 L391 I392 T414 M417 W419F360-Y412 HydrophobicContact CD1-CD2 4.5Å; F360-Y412 HydrophobicContact CD1-CE2 4.46Å; F360-Y412 AromaticContact CE1-CD1 3.54Å; F360-Y412 HydrophobicContact CE1-CD1 3.54Å; F360-Y412 HydrophobicContact CE1-CD2 4.06Å; F360-Y412 AromaticContact CE1-CE1 3.66Å; F360-Y412 HydrophobicContact CE1-CE1 3.66Å; F360-Y412 HydrophobicContact CE1-CE2 4.18Å; F360-Y412 AromaticContact CE1-CG 3.71Å; F360-Y412 HydrophobicContact CE1-CG 3.71Å; F360-Y412 AromaticContact CE1-CZ 3.97Å; F360-Y412 HydrophobicContact CZ-CD1 4.1Å; F360-Y412 HydrophobicContact CZ-CE1 4.48Å; F360-Y412 HydrophobicContact CZ-CG 4.4Å; L373-Y412 HydrophobicContact CD1-CE1 4.3Å; P374-Y412 HydrophobicContact CB-CE2 4.25Å; P374-Y412 WeakPolarHBondContact CD-OH 3.28Å; P374-Y412 HydrophobicContact CG-CE2 4.34Å; L391-Y412 WeakPolarHBondContact CA-O 3.41Å; I392-Y412 HydrophobicContact CD1-CD1 4.49Å; I392-Y412 PolarHBondContact N-O 3.42Å; I392-Y412 PolarHBondContact O-N 2.9Å; Y412-T414 HydrophobicContact CD1-CG2 3.86Å; Y412-T414 HydrophobicContact CE1-CG2 3.93Å; Y412-M417 WeakPolarHBondContact OH-CA 3.22Å; Y412-M417 WeakPolarHBondContact OH-CE 3.45Å; Y412-M417 PolarHBondContact OH-SD 3.08Å; Y412-W419 AromaticContact CD2-CD1 3.71Å; Y412-W419 AromaticContact CD2-CD2 3.78Å; Y412-W419 HydrophobicContact CD2-CD2 3.78Å; Y412-W419 AromaticContact CD2-CE2 3.51Å; Y412-W419 AromaticContact CD2-CG 3.9Å; Y412-W419 HydrophobicContact CD2-CG 3.9Å; Y412-W419 HydrophobicContact CD2-CZ2 4.07Å; Y412-W419 AromaticContact CD2-NE1 3.44Å; Y412-W419 AromaticContact CE2-NE1 3.93Å; Y412-W419 HydrophobicContact CG-CD2 4.26Å; Y412-W419 AromaticContact CG-CE2 3.98Å; Y412-W419 HydrophobicContact CG-CH2 4.48Å; Y412-W419 HydrophobicContact CG-CZ2 4.11Å
413D97.8Very high96.2Very high17 Ų1759.3 Ų59.39%0.09129%0.287CS..EExtended strand (participates in β ladder)trans-92.7111.6171.8-175.2-29.5000109.1N390 L391 E415 K416 M417 K418N390-D413 PolarHBondContact ND2-OD1 2.76Å; N390-D413 VanDerWaalsContact ND2-OD1 3.09Å; L391-D413 HydrophobicContact CD2-CB 3.81Å; D413-E415 PolarHBondContact O-N 3.19Å; D413-E415 PolarHBondContact OD1-N 3.19Å; D413-K416 HydrophobicContact CB-CB 4.13Å; D413-K416 PolarHBondContact O-N 3.23Å; D413-K416 PolarHBondContact OD1-N 3.02Å; D413-K416 VanDerWaalsContact OD1-N 3.14Å; D413-K416 WeakPolarHBondContact OD2-CD 3.44Å; D413-K416 VanDerWaalsContact OD2-CE 3.27Å; D413-K416 WeakPolarHBondContact OD2-CE 3.38Å; D413-K416 WeakPolarHBondContact OD2-CG 3.34Å; D413-K416 IonicContact OD2-NZ 3.63Å; D413-K416 PolarHBondContact OD2-NZ 3.43Å; D413-M417 WeakPolarHBondContact O-CA 3.46Å; D413-M417 PolarHBondContact O-N 3.45Å; D413-K418 PolarHBondContact N-O 3.44Å; D413-K418 PolarHBondContact O-N 3.27Å
414T95.5Very high96.7Very high40 Ų4059 Ų5925%0.24528%0.281CS..THydrogen-bonded Turntrans-69.4-16.8-176.957.20000113.9Y340 N390 I392 Y412Y340-T414 HydrophobicContact CE1-CG2 4.47Å; N390-T414 WeakPolarHBondContact O-CB 3.42Å; N390-T414 WeakPolarHBondContact O-CG2 2.99Å; N390-T414 PolarHBondContact O-N 2.93Å; N390-T414 PolarHBondContact O-OG1 3.04Å; I392-T414 HydrophobicContact CD1-CG2 3.91Å; I392-T414 HydrophobicContact CG1-CG2 4.42Å; Y412-T414 HydrophobicContact CD1-CG2 3.86Å; Y412-T414 HydrophobicContact CE1-CG2 3.93Å
415E93.8Very high97Very high150 Ų15054.1 Ų54.170%0.70126%0.258SS*.THydrogen-bonded Turntrans-89.2-38176.7-63.2-175.1167.500111.1N390 D413N390-E415 HydrophobicContact CB-CG 4.25Å; D413-E415 PolarHBondContact O-N 3.19Å; D413-E415 PolarHBondContact OD1-N 3.19Å
416K95.5Very high97Very high157 Ų15758 Ų5868%0.68328%0.283SS*.THydrogen-bonded Turntrans-89-9.8178.5-60.9179.2-166140.40113.7D413 K418D413-K416 HydrophobicContact CB-CB 4.13Å; D413-K416 PolarHBondContact O-N 3.23Å; D413-K416 PolarHBondContact OD1-N 3.02Å; D413-K416 VanDerWaalsContact OD1-N 3.14Å; D413-K416 WeakPolarHBondContact OD2-CD 3.44Å; D413-K416 VanDerWaalsContact OD2-CE 3.27Å; D413-K416 WeakPolarHBondContact OD2-CE 3.38Å; D413-K416 WeakPolarHBondContact OD2-CG 3.34Å; D413-K416 IonicContact OD2-NZ 3.63Å; D413-K416 PolarHBondContact OD2-NZ 3.43Å; K416-K418 VanDerWaalsContact C-N 3.3Å; K416-K418 HydrophobicContact CB-CB 4.45Å; K416-K418 PolarHBondContact O-N 3.07Å
417M95.9Very high97.1Very high93 Ų9358.1 Ų58.146%0.45829%0.286SS..THydrogen-bonded Turntrans53.844.5-177.4-57.9-74.3-70.300112.3L373 P374 Y412 D413L373-M417 HydrophobicContact CD2-CE 3.65Å; P374-M417 HydrophobicContact CG-CB 4.44Å; Y412-M417 WeakPolarHBondContact OH-CA 3.22Å; Y412-M417 WeakPolarHBondContact OH-CE 3.45Å; Y412-M417 PolarHBondContact OH-SD 3.08Å; D413-M417 WeakPolarHBondContact O-CA 3.46Å; D413-M417 PolarHBondContact O-N 3.45Å
418K96.6Very high97.1Very high135 Ų13560.7 Ų60.759%0.58730%0.296SS*.EExtended strand (participates in β ladder)trans-141138.7-171.5-176.8171.7-179.4177.10112.9D413 K416D413-K418 PolarHBondContact N-O 3.44Å; D413-K418 PolarHBondContact O-N 3.27Å; K416-K418 VanDerWaalsContact C-N 3.3Å; K416-K418 HydrophobicContact CB-CB 4.45Å; K416-K418 PolarHBondContact O-N 3.07Å
419W97.6Very high97.1Very high22 Ų2260.1 Ų60.18%0.08329%0.292CS..EExtended strand (participates in β ladder)trans-84.7141.9170.1-70.4100.4000112.3L342 F360 P374 P375 M376 P377 M410 C411 Y412L342-W419 HydrophobicContact CD1-CH2 4.48Å; L342-W419 HydrophobicContact CD1-CZ2 4.27Å; L342-W419 HydrophobicContact CD2-CH2 4Å; F360-W419 AromaticContact CD1-CZ2 3.61Å; F360-W419 HydrophobicContact CD1-CZ2 3.61Å; F360-W419 HydrophobicContact CD2-CZ2 4.33Å; F360-W419 HydrophobicContact CE1-CH2 4.49Å; F360-W419 AromaticContact CE1-CZ2 3.75Å; F360-W419 HydrophobicContact CE1-CZ2 3.75Å; F360-W419 HydrophobicContact CE2-CZ2 4.43Å; F360-W419 AromaticContact CG-CZ2 3.94Å; F360-W419 HydrophobicContact CG-CZ2 3.94Å; F360-W419 HydrophobicContact CZ-CZ2 4.17Å; P374-W419 PolarHBondContact O-NE1 3.24Å; P375-W419 PolarHBondContact O-NE1 3.27Å; M376-W419 HydrophobicContact CB-CD2 4.26Å; M376-W419 HydrophobicContact CB-CH2 4.21Å; M376-W419 HydrophobicContact CB-CZ2 3.82Å; M376-W419 HydrophobicContact CG-CD2 4.25Å; M376-W419 HydrophobicContact CG-CE3 4.21Å; M376-W419 HydrophobicContact CG-CH2 4.29Å; M376-W419 HydrophobicContact CG-CZ2 4.33Å; M376-W419 HydrophobicContact CG-CZ3 4.23Å; M376-W419 HydrophobicContact SD-CH2 4.26Å; M376-W419 HydrophobicContact SD-CZ3 4.19Å; P377-W419 HydrophobicContact CG-CB 4.26Å; M410-W419 HydrophobicContact CB-CE3 3.8Å; M410-W419 HydrophobicContact CB-CZ3 3.82Å; C411-W419 CarbonylContact O-C 3.56Å; C411-W419 WeakPolarHBondContact O-CA 3.2Å; Y412-W419 AromaticContact CD2-CD1 3.71Å; Y412-W419 AromaticContact CD2-CD2 3.78Å; Y412-W419 HydrophobicContact CD2-CD2 3.78Å; Y412-W419 AromaticContact CD2-CE2 3.51Å; Y412-W419 AromaticContact CD2-CG 3.9Å; Y412-W419 HydrophobicContact CD2-CG 3.9Å; Y412-W419 HydrophobicContact CD2-CZ2 4.07Å; Y412-W419 AromaticContact CD2-NE1 3.44Å; Y412-W419 AromaticContact CE2-NE1 3.93Å; Y412-W419 HydrophobicContact CG-CD2 4.26Å; Y412-W419 AromaticContact CG-CE2 3.98Å; Y412-W419 HydrophobicContact CG-CH2 4.48Å; Y412-W419 HydrophobicContact CG-CZ2 4.11Å
420T97.2Very high97.1Very high68 Ų6861.1 Ų61.142%0.41730%0.296SS..EExtended strand (participates in β ladder)trans-141.8154.4172.954.10000110C411C411-T420 PolarHBondContact N-O 3.35Å; C411-T420 PolarHBondContact O-N 3.25Å; C411-T420 PolarHBondContact O-OG1 3.19Å
421E97.3Very high97Very high107 Ų10760.7 Ų60.750%0.530%0.296SS..EExtended strand (participates in β ladder)trans-88.5140.3169.5-171.1177.7142.400109.8M410 K424M410-E421 HydrophobicContact SD-CB 4.45Å; E421-K424 WeakPolarHBondContact OE1-CE 3.29Å
422T97.4Very high97.1Very high23 Ų2361 Ų6114%0.14130%0.297CS..  trans-116.5-169.4177.563.70000111.5F393 V409 C411 K424F393-T422 HydrophobicContact CE1-CG2 4.33Å; V409-T422 WeakPolarHBondContact CB-OG1 3.43Å; V409-T422 WeakPolarHBondContact CG1-OG1 3.33Å; V409-T422 PolarHBondContact O-N 2.98Å; V409-T422 PolarHBondContact O-OG1 3.49Å; V409-T422 VanDerWaalsContact O-OG1 3.12Å; C411-T422 HydrophobicContact CB-CG2 3.4Å; C411-T422 VanDerWaalsContact CB-CG2 3.4Å; T422-K424 PolarHBondContact O-N 2.9Å; T422-K424 VanDerWaalsContact O-N 3.13Å
423K97.9Very high97.1Very high115 Ų11561.9 Ų61.950%0.530%0.303SS..PPolyproline II helixtrans-57.5121.8-178.6-173.770.6176.8-178.30110.1Y460 W467K423-Y460 HydrophobicContact CB-CE2 3.84Å; K423-W467 PolarHBondContact O-NE1 3.35Å
424K98.3Very high97.1Very high99 Ų9961.9 Ų61.943%0.4330%0.304SS..PPolyproline II helixtrans-57.3143.3175.4-59.1-170.5177.7-162.20111.8D407 T408 E421 T422 W467D407-K424 CarbonylContact O-C 3.6Å; D407-K424 WeakPolarHBondContact O-CA 3.31Å; T408-K424 HydrophobicContact CG2-CD 4.39Å; E421-K424 WeakPolarHBondContact OE1-CE 3.29Å; T422-K424 PolarHBondContact O-N 2.9Å; T422-K424 VanDerWaalsContact O-N 3.13Å; K424-W467 PolarHBondContact O-NE1 2.9Å
425L97.9Very high97.2Very high3 Ų360.5 Ų60.52%0.01630%0.295CS..PPolyproline II helixtrans-61.6143.8170-172.567.2000109.2V395 A396 D407 V409 V427 I429 C443 F458 W467V395-L425 HydrophobicContact CG1-CD2 4.27Å; A396-L425 HydrophobicContact CB-CD2 4.08Å; D407-L425 WeakPolarHBondContact O-CB 3.41Å; D407-L425 PolarHBondContact O-N 2.82Å; V409-L425 HydrophobicContact CG2-CB 4.49Å; L425-V427 HydrophobicContact CD2-CG1 3.94Å; L425-V427 WeakPolarHBondContact CD2-O 3.47Å; L425-V427 HydrophobicContact CG-CG1 4.08Å; L425-V427 PolarHBondContact O-N 3.18Å; L425-I429 HydrophobicContact CD2-CD1 3.62Å; L425-I429 HydrophobicContact CD2-CG1 3.72Å; L425-C443 HydrophobicContact CD1-CB 4.19Å; L425-F458 HydrophobicContact CD1-CB 4.08Å; L425-F458 HydrophobicContact CD1-CD2 4.17Å; L425-F458 HydrophobicContact CD1-CG 4.22Å; L425-W467 HydrophobicContact CD1-CD2 3.86Å; L425-W467 HydrophobicContact CD1-CE3 3.75Å; L425-W467 HydrophobicContact CD1-CH2 3.82Å; L425-W467 HydrophobicContact CD1-CZ2 3.97Å; L425-W467 HydrophobicContact CD1-CZ3 3.7Å
426P96.5Very high97.4Very high84 Ų8454.3 Ų54.355%0.54527%0.269SS..SBendtrans-680.1179.8-23.736.1000115.4F458 W467P426-F458 HydrophobicContact CB-CE1 4.14Å; P426-F458 HydrophobicContact CG-CD1 4.07Å; P426-F458 HydrophobicContact CG-CE1 4.08Å; P426-W467 HydrophobicContact CG-CB 3.87Å; P426-W467 HydrophobicContact CG-CG 4.45Å
427V95.8Very high97.5Very high38 Ų3848.5 Ų48.523%0.2324%0.244CC..SBendtrans-147.1143.8-175.965.40000110.1L425 I429 T448 F458L425-V427 HydrophobicContact CD2-CG1 3.94Å; L425-V427 WeakPolarHBondContact CD2-O 3.47Å; L425-V427 HydrophobicContact CG-CG1 4.08Å; L425-V427 PolarHBondContact O-N 3.18Å; V427-I429 HydrophobicContact CB-CG2 4.45Å; V427-I429 HydrophobicContact CG1-CD1 4.16Å; V427-I429 HydrophobicContact CG1-CG1 4.32Å; V427-I429 HydrophobicContact CG1-CG2 3.88Å; V427-I429 HydrophobicContact CG2-CG2 3.85Å; V427-T448 HydrophobicContact CG2-CG2 4.32Å; V427-F458 HydrophobicContact CG1-CD2 4.46Å; V427-F458 HydrophobicContact CG1-CE2 3.73Å; V427-F458 HydrophobicContact CG1-CZ 4.25Å
428K97Very high97.5Very high92 Ų9249 Ų4940%0.425%0.249SC..  trans-85.1118.9170.5-68.6-179.2168.7-160.20109.8S405 H406 D407S405-K428 WeakPolarHBondContact O-CD 3.35Å; H406-K428 WeakPolarHBondContact O-CA 3.33Å; D407-K428 HydrophobicContact CB-CG 3.78Å
429I97.8Very high97.4Very high2 Ų244.3 Ų44.31%0.0124%0.238CC..  trans-148.9158.3-175.955.6174.1000113.1A396 G397 H406 L425 V427 H432 K447 T448A396-I429 HydrophobicContact CB-CG1 4.06Å; A396-I429 WeakPolarHBondContact CB-O 3.29Å; G397-I429 PolarHBondContact N-O 3.09Å; H406-I429 PolarHBondContact O-N 3.24Å; L425-I429 HydrophobicContact CD2-CD1 3.62Å; L425-I429 HydrophobicContact CD2-CG1 3.72Å; V427-I429 HydrophobicContact CB-CG2 4.45Å; V427-I429 HydrophobicContact CG1-CD1 4.16Å; V427-I429 HydrophobicContact CG1-CG1 4.32Å; V427-I429 HydrophobicContact CG1-CG2 3.88Å; V427-I429 HydrophobicContact CG2-CG2 3.85Å; I429-H432 HydrophobicContact CD1-CB 3.86Å; I429-K447 VanDerWaalsContact CA-O 3.27Å; I429-K447 WeakPolarHBondContact CA-O 3.49Å; I429-T448 HydrophobicContact CG2-CG2 4.08Å
430H97.8Very high97.4Very high20 Ų2045.2 Ų45.29%0.09324%0.244CC..BIsolated β-bridgetrans-139.6164.9169.662.7-84.5000111.2L382 K398 S405 H432 G446 K447L382-H430 HydrophobicContact CB-CB 4.07Å; K398-H430 HydrophobicContact CB-CB 3.84Å; S405-H430 PolarHBondContact OG-ND1 3.21Å; H430-H432 PolarHBondContact O-N 3.27Å; H430-G446 CarbonylContact O-C 3.6Å; H430-G446 WeakPolarHBondContact O-CA 3.14Å; H430-K447 PolarHBondContact N-O 2.9Å; H430-K447 PolarHBondContact ND1-O 3.29Å; H430-K447 PolarHBondContact O-N 3.48Å
431G97.4Very high97.5Very high6 Ų642.1 Ų42.16%0.06223%0.225CC..SBendtrans64.226.4-179.300000113.4L382 S478 M479L382-G431 PolarHBondContact O-N 3.39Å; G431-S478 CarbonylContact O-C 3.5Å; G431-S478 WeakPolarHBondContact O-CA 3.38Å; G431-S478 WeakPolarHBondContact O-CB 3.36Å; G431-M479 PolarHBondContact O-N 3.03Å
432H98.6Very high97.6Very high9 Ų937.7 Ų37.74%0.04220%0.204CC..  trans-90.4169.8175.363.1-81.3000110V395 I429 H430 C443 L444 G445V395-H432 PolarHBondContact O-CE1 3.4Å; V395-H432 PolarHBondContact O-NE2 3.43Å; V395-H432 VanDerWaalsContact O-NE2 3.12Å; I429-H432 HydrophobicContact CD1-CB 3.86Å; H430-H432 PolarHBondContact O-N 3.27Å; H432-C443 PolarHBondContact CD2-SG 3.48Å; H432-L444 WeakPolarHBondContact CB-O 3.24Å; H432-G445 WeakPolarHBondContact CB-O 3.39Å
433C98.6Very high97.6Very high19 Ų1936.6 Ų36.613%0.12820%0.198CC..EExtended strand (participates in β ladder)trans-106.8152.7169.8-64.50000110.8L444 F480 A482C433-L444 HydrophobicContact CB-CD2 4.18Å; C433-L444 HydrophobicContact CB-CG 4.14Å; C433-L444 PolarHBondContact N-O 2.91Å; C433-L444 VanDerWaalsContact N-O 3.08Å; C433-L444 WeakPolarHBondContact O-CD2 3.44Å; C433-L444 PolarHBondContact O-N 3.27Å; C433-F480 HydrophobicContact CB-CE1 4.47Å; C433-F480 HydrophobicContact CB-CE2 4.02Å; C433-F480 HydrophobicContact CB-CZ 3.87Å; C433-F480 PolarHBondContact SG-O 3.07Å; C433-A482 HydrophobicContact CB-CB 3.62Å
434V98.7Very high97.6Very high17 Ų1731.2 Ų31.210%0.10317%0.174CC..EExtended strand (participates in β ladder)trans-124.7135.2170.1174.10000109.2A384 M385 V395 V441 Y442 C443A384-V434 HydrophobicContact CB-CB 3.77Å; A384-V434 HydrophobicContact CB-CG2 3.71Å; M385-V434 WeakPolarHBondContact O-CG1 3.35Å; V395-V434 HydrophobicContact CB-CG2 3.86Å; V395-V434 HydrophobicContact CG1-CG2 4.39Å; V395-V434 HydrophobicContact CG2-CG1 4.49Å; V395-V434 HydrophobicContact CG2-CG2 3.9Å; V434-V441 HydrophobicContact CG1-CG1 3.43Å; V434-V441 VanDerWaalsContact CG1-CG1 3.43Å; V434-Y442 CarbonylContact C-O 3.59Å; V434-Y442 WeakPolarHBondContact CA-O 3.44Å; V434-C443 HydrophobicContact CG2-CB 4.35Å
435V98.4Very high97.6Very high12 Ų1226.5 Ų26.57%0.07315%0.154CC..EExtended strand (participates in β ladder)trans-132.9153.2173.2-60.80000110.1Y442 L444 A482 I484 L489V435-Y442 HydrophobicContact CG2-CD2 4.46Å; V435-Y442 HydrophobicContact CG2-CG 4.48Å; V435-Y442 PolarHBondContact N-O 2.85Å; V435-Y442 PolarHBondContact O-N 3.04Å; V435-L444 HydrophobicContact CG2-CD2 4.2Å; V435-A482 HydrophobicContact CG1-CB 4.17Å; V435-I484 HydrophobicContact CB-CD1 4.08Å; V435-I484 HydrophobicContact CB-CG1 4.34Å; V435-I484 HydrophobicContact CG2-CD1 3.97Å; V435-L489 HydrophobicContact CG1-CD1 3.93Å; V435-L489 HydrophobicContact CG2-CD1 3.99Å; V435-L489 HydrophobicContact CG2-CD2 4.04Å
436S98.1Very high97.6Very high20 Ų2026.4 Ų26.414%0.1415%0.153CC..EExtended strand (participates in β ladder)trans-120.3116.8-177.4-52.20000110G386 E387 L440G386-S436 VanDerWaalsContact CA-OG 3.25Å; G386-S436 WeakPolarHBondContact CA-OG 3.44Å; E387-S436 PolarHBondContact N-OG 3.35Å; E387-S436 WeakPolarHBondContact O-CB 3.26Å; E387-S436 PolarHBondContact O-OG 3.42Å; S436-L440 WeakPolarHBondContact CA-O 3.46Å
437E97.3Very high97.6Very high34 Ų3424.6 Ų24.616%0.15914%0.137CC..EExtended strand (participates in β ladder)trans-150.6149-179-171.460.1165.600112.2K335 G439 L440 Y442 I484 F509K335-E437 IonicContact NZ-OE2 2.71Å; K335-E437 PolarHBondContact NZ-OE2 2.9Å; E437-G439 PolarHBondContact O-N 2.99Å; E437-L440 PolarHBondContact N-O 3.44Å; E437-L440 PolarHBondContact O-N 3.26Å; E437-Y442 HydrophobicContact CB-CE2 4.35Å; E437-Y442 WeakPolarHBondContact O-CE2 3.34Å; E437-I484 HydrophobicContact CB-CD1 4.11Å; E437-I484 HydrophobicContact CB-CG1 4.29Å; E437-I484 HydrophobicContact CG-CD1 4.47Å; E437-I484 HydrophobicContact CG-CG2 4.43Å; E437-F509 HydrophobicContact CB-CE1 4.15Å; E437-F509 HydrophobicContact CB-CE2 4.3Å; E437-F509 HydrophobicContact CB-CZ 3.89Å; E437-F509 HydrophobicContact CG-CD2 4.21Å; E437-F509 HydrophobicContact CG-CE1 4.41Å; E437-F509 HydrophobicContact CG-CE2 3.91Å; E437-F509 HydrophobicContact CG-CZ 4.01Å
438N94.8Very high97.6Very high105 Ų10524.3 Ų24.356%0.56114%0.135SC*.THydrogen-bonded Turntrans52.431.9179.2-62-41.1000114.8L440N438-L440 VanDerWaalsContact C-N 3.29Å; N438-L440 PolarHBondContact O-N 3.3Å
439G95.4Very high97.3Very high36 Ų3623.9 Ų23.937%0.37114%0.137SC..THydrogen-bonded Turntrans71.720.8-178.800000114.2F388 E437F388-G439 WeakPolarHBondContact CD2-O 3.44Å; F388-G439 WeakPolarHBondContact CE2-O 3.44Å; E437-G439 PolarHBondContact O-N 2.99Å
440L97.9Very high96.9Very high40 Ų4030.2 Ų30.221%0.20917%0.167CC..EExtended strand (participates in β ladder)trans-126.9154.7176.1-59.9175.6000110S436 E437 N438 Y442 Y460 N461S436-L440 WeakPolarHBondContact CA-O 3.46Å; E437-L440 PolarHBondContact N-O 3.44Å; E437-L440 PolarHBondContact O-N 3.26Å; N438-L440 VanDerWaalsContact C-N 3.29Å; N438-L440 PolarHBondContact O-N 3.3Å; L440-Y442 HydrophobicContact CB-CD2 4.39Å; L440-Y442 HydrophobicContact CB-CE2 3.72Å; L440-Y460 WeakPolarHBondContact CA-O 3.22Å; L440-Y460 WeakPolarHBondContact CD2-O 3.28Å; L440-N461 HydrophobicContact CD2-CB 3.61Å
441V98.6Very high96.3Very high3 Ų334.5 Ų34.52%0.01819%0.19CC..EExtended strand (participates in β ladder)trans-105.6122.8172.9179.20000108.3F393 V434 Y460F393-V441 HydrophobicContact CD2-CG2 3.78Å; F393-V441 HydrophobicContact CE2-CG2 4.15Å; F393-V441 HydrophobicContact CG-CG2 4.45Å; V434-V441 HydrophobicContact CG1-CG1 3.43Å; V434-V441 VanDerWaalsContact CG1-CG1 3.43Å; V441-Y460 PolarHBondContact N-O 3.44Å; V441-Y460 WeakPolarHBondContact O-CB 3.47Å; V441-Y460 PolarHBondContact O-N 3.39Å
442Y98.8Very high96.1Very high15 Ų1539 Ų396%0.05921%0.209CC..EExtended strand (participates in β ladder)trans-105.9127.3-178.6-63.6-97.3000109.9V434 V435 E437 L440 M457 F458 A459 F509V434-Y442 CarbonylContact C-O 3.59Å; V434-Y442 WeakPolarHBondContact CA-O 3.44Å; V435-Y442 HydrophobicContact CG2-CD2 4.46Å; V435-Y442 HydrophobicContact CG2-CG 4.48Å; V435-Y442 PolarHBondContact N-O 2.85Å; V435-Y442 PolarHBondContact O-N 3.04Å; E437-Y442 HydrophobicContact CB-CE2 4.35Å; E437-Y442 WeakPolarHBondContact O-CE2 3.34Å; L440-Y442 HydrophobicContact CB-CD2 4.39Å; L440-Y442 HydrophobicContact CB-CE2 3.72Å; Y442-M457 HydrophobicContact CD1-CE 4.27Å; Y442-M457 HydrophobicContact CD1-CG 4.45Å; Y442-M457 HydrophobicContact CD1-SD 4.2Å; Y442-F458 CarbonylContact C-O 3.57Å; Y442-F458 VanDerWaalsContact CA-O 3.3Å; Y442-F458 WeakPolarHBondContact CA-O 3.45Å; Y442-A459 HydrophobicContact CD1-CB 3.71Å; Y442-A459 HydrophobicContact CE1-CB 3.52Å; Y442-F509 HydrophobicContact CD1-CE1 4.31Å; Y442-F509 AromaticContact CD2-CE1 3.94Å; Y442-F509 HydrophobicContact CD2-CE1 3.94Å; Y442-F509 HydrophobicContact CE1-CD1 4.12Å; Y442-F509 AromaticContact CE1-CE1 3.96Å; Y442-F509 HydrophobicContact CE1-CE1 3.96Å; Y442-F509 HydrophobicContact CE2-CD1 4.03Å; Y442-F509 AromaticContact CE2-CE1 3.56Å; Y442-F509 HydrophobicContact CE2-CE1 3.56Å; Y442-F509 HydrophobicContact CG-CE1 4.3Å; Y442-F509 AromaticContact CZ-CD1 3.65Å; Y442-F509 AromaticContact CZ-CE1 3.58Å
443C98.7Very high96Very high0 Ų039.3 Ų39.30%021%0.213CC..EExtended strand (participates in β ladder)trans-109.8126.4173.2176.30000108.5V395 L425 H432 V434 M457 F458 W467V395-C443 HydrophobicContact CG1-CB 4.26Å; L425-C443 HydrophobicContact CD1-CB 4.19Å; H432-C443 PolarHBondContact CD2-SG 3.48Å; V434-C443 HydrophobicContact CG2-CB 4.35Å; C443-M457 CarbonylContact O-C 3.56Å; C443-M457 WeakPolarHBondContact O-CA 3.29Å; C443-F458 PolarHBondContact N-O 2.91Å; C443-F458 PolarHBondContact O-N 3.27Å; C443-W467 HydrophobicContact CB-CH2 4.01Å; C443-W467 HydrophobicContact CB-CZ3 3.87Å
444L98.2Very high95.9Very high1 Ų139.6 Ų39.61%0.00521%0.214CC..EExtended strand (participates in β ladder)trans-138.6141.2-171.858.3152.2000113.1H432 C433 V435 M457 M473 F480 A482 L489 V491 W514H432-L444 WeakPolarHBondContact CB-O 3.24Å; C433-L444 HydrophobicContact CB-CD2 4.18Å; C433-L444 HydrophobicContact CB-CG 4.14Å; C433-L444 PolarHBondContact N-O 2.91Å; C433-L444 VanDerWaalsContact N-O 3.08Å; C433-L444 WeakPolarHBondContact O-CD2 3.44Å; C433-L444 PolarHBondContact O-N 3.27Å; V435-L444 HydrophobicContact CG2-CD2 4.2Å; L444-M457 HydrophobicContact CB-CB 4.09Å; L444-M457 HydrophobicContact CB-CG 3.91Å; L444-M457 HydrophobicContact CB-SD 4.12Å; L444-M473 HydrophobicContact CB-CE 4.36Å; L444-M473 HydrophobicContact CD1-SD 4.31Å; L444-F480 HydrophobicContact CD1-CE2 3.71Å; L444-F480 HydrophobicContact CD1-CZ 3.79Å; L444-F480 HydrophobicContact CG-CE2 4.27Å; L444-F480 HydrophobicContact CG-CZ 3.9Å; L444-F480 WeakPolarHBondContact O-CZ 3.5Å; L444-A482 HydrophobicContact CD1-CB 4.42Å; L444-L489 HydrophobicContact CD1-CD2 4Å; L444-L489 HydrophobicContact CD2-CD2 4.37Å; L444-V491 HydrophobicContact CD1-CG1 3.63Å; L444-W514 HydrophobicContact CD1-CH2 4.3Å
445G98.2Very high95.9Very high1 Ų141.1 Ų41.11%0.0122%0.221CC..  trans63.5-147.9177.800000113.1H432 T454 K456H432-G445 WeakPolarHBondContact CB-O 3.39Å; G445-T454 VanDerWaalsContact C-CG2 3.44Å; G445-T454 WeakPolarHBondContact CA-O 3.36Å; G445-T454 WeakPolarHBondContact O-CG2 3.33Å; G445-K456 PolarHBondContact N-O 2.92Å
446G98.1Very high95.9Very high0 Ų044.3 Ų44.30%023%0.234CC..  trans96-172.7-176.500000113.2H430 A453 T454 R477H430-G446 CarbonylContact O-C 3.6Å; H430-G446 WeakPolarHBondContact O-CA 3.14Å; G446-A453 CarbonylContact O-C 3.16Å; G446-A453 WeakPolarHBondContact O-CA 3.29Å; G446-T454 PolarHBondContact O-N 2.84Å; G446-R477 PolarHBondContact N-O 3.47Å
447K96.3Very high95.9Very high46 Ų4643.4 Ų43.420%0.223%0.228CC..BIsolated β-bridgetrans-126.2137.6-175.1-157.8176-156178.30110.3I429 H430 N451 K452I429-K447 VanDerWaalsContact CA-O 3.27Å; I429-K447 WeakPolarHBondContact CA-O 3.49Å; H430-K447 PolarHBondContact N-O 2.9Å; H430-K447 PolarHBondContact ND1-O 3.29Å; H430-K447 PolarHBondContact O-N 3.48Å; K447-N451 WeakPolarHBondContact CE-O 3.37Å; K447-N451 WeakPolarHBondContact CE-OD1 3.45Å; K447-N451 PolarHBondContact NZ-ND2 3.2Å; K447-N451 PolarHBondContact NZ-OD1 2.85Å; K447-K452 WeakPolarHBondContact CA-O 3.43Å
448T94.5Very high96Very high32 Ų3242.3 Ų42.320%0.19622%0.222CC..  trans-87.3170.6172.764.50000111V427 I429 E450 N451 K452V427-T448 HydrophobicContact CG2-CG2 4.32Å; I429-T448 HydrophobicContact CG2-CG2 4.08Å; T448-E450 PolarHBondContact O-N 3.16Å; T448-E450 PolarHBondContact OG1-N 2.87Å; T448-N451 WeakPolarHBondContact O-CA 3.3Å; T448-N451 PolarHBondContact O-N 3.26Å; T448-K452 PolarHBondContact N-O 2.86Å; T448-K452 VanDerWaalsContact N-O 3.08Å
449D90.9Very high96.2Very high83 Ų8337.7 Ų37.744%0.44420%0.199SC..THydrogen-bonded Turntrans-64-18174.5-66.2-35000113.4S405 N451S405-D449 WeakPolarHBondContact CB-OD1 3.36Å; S405-D449 PolarHBondContact N-OD1 3.01Å; S405-D449 PolarHBondContact N-OD2 3.5Å; S405-D449 PolarHBondContact OG-OD1 3.29Å; D449-N451 PolarHBondContact O-N 2.93Å; D449-N451 VanDerWaalsContact O-N 3.16Å
450E89.8Confident96.3Very high136 Ų13636.1 Ų36.164%0.63618%0.182SC*.THydrogen-bonded Turntrans-72.94.2169.2-63.3-176.3-166.600113.3T448 K452T448-E450 PolarHBondContact O-N 3.16Å; T448-E450 PolarHBondContact OG1-N 2.87Å; E450-K452 HydrophobicContact CB-CD 4.47Å; E450-K452 HydrophobicContact CB-CG 4.33Å; E450-K452 PolarHBondContact O-N 3.26Å; E450-K452 IonicContact OE2-NZ 2.76Å; E450-K452 PolarHBondContact OE2-NZ 2.8Å
451N85.4Confident96.3Very high109 Ų10936.3 Ų36.358%0.58318%0.183SC*.SBendtrans62.324.3-177.8-153.352.5000113.3K447 T448 D449K447-N451 WeakPolarHBondContact CE-O 3.37Å; K447-N451 WeakPolarHBondContact CE-OD1 3.45Å; K447-N451 PolarHBondContact NZ-ND2 3.2Å; K447-N451 PolarHBondContact NZ-OD1 2.85Å; T448-N451 WeakPolarHBondContact O-CA 3.3Å; T448-N451 PolarHBondContact O-N 3.26Å; D449-N451 PolarHBondContact O-N 2.93Å; D449-N451 VanDerWaalsContact O-N 3.16Å
452K93.1Very high96.2Very high102 Ų10238.9 Ų38.944%0.44320%0.195SC..  trans-101.6133.5176.7-65.7-179.2-174.2147.30111.1K447 T448 E450K447-K452 WeakPolarHBondContact CA-O 3.43Å; T448-K452 PolarHBondContact N-O 2.86Å; T448-K452 VanDerWaalsContact N-O 3.08Å; E450-K452 HydrophobicContact CB-CD 4.47Å; E450-K452 HydrophobicContact CB-CG 4.33Å; E450-K452 PolarHBondContact O-N 3.26Å; E450-K452 IonicContact OE2-NZ 2.76Å; E450-K452 PolarHBondContact OE2-NZ 2.8Å
453A96.7Very high96.1Very high15 Ų1545 Ų4512%0.12422%0.222CC..BIsolated β-bridgetrans-72.5143.6171.500000110G446 P476 N496G446-A453 CarbonylContact O-C 3.16Å; G446-A453 WeakPolarHBondContact O-CA 3.29Å; A453-P476 HydrophobicContact CB-CB 4.08Å; A453-N496 HydrophobicContact CB-CB 4.47Å
454T97.1Very high96Very high25 Ų2554 Ų5415%0.15326%0.256CS..  trans-110.6153.2174.9-169.50000111.3G445 G446 K456 P476 R477G445-T454 VanDerWaalsContact C-CG2 3.44Å; G445-T454 WeakPolarHBondContact CA-O 3.36Å; G445-T454 WeakPolarHBondContact O-CG2 3.33Å; G446-T454 PolarHBondContact O-N 2.84Å; T454-K456 WeakPolarHBondContact OG1-CG 3.34Å; T454-K456 PolarHBondContact OG1-N 3.37Å; T454-P476 WeakPolarHBondContact O-CA 3.33Å; T454-R477 PolarHBondContact O-N 2.85Å; T454-R477 VanDerWaalsContact O-N 3.17Å
455N97.8Very high95.9Very high49 Ų4956.9 Ų56.926%0.26228%0.276SS..  trans-105.5-0.1171.965.8-20.6000112.7S472 M473 P476N455-S472 WeakPolarHBondContact O-CA 3.43Å; N455-S472 WeakPolarHBondContact O-CB 3.47Å; N455-M473 HydrophobicContact CB-CB 4.14Å; N455-M473 WeakPolarHBondContact CB-O 3.36Å; N455-M473 PolarHBondContact ND2-O 3.34Å; N455-M473 PolarHBondContact O-N 3Å; N455-P476 HydrophobicContact CB-CB 4.15Å; N455-P476 HydrophobicContact CB-CG 4Å
456K98.2Very high95.9Very high79 Ų7961.6 Ų61.634%0.34330%0.298SS..  trans-66.7151.2-175.8-68.5-171.1170.9-149.20111.4G445 T454 F458 E469G445-K456 PolarHBondContact N-O 2.92Å; T454-K456 WeakPolarHBondContact OG1-CG 3.34Å; T454-K456 PolarHBondContact OG1-N 3.37Å; K456-F458 HydrophobicContact CB-CE2 3.82Å; K456-F458 HydrophobicContact CB-CZ 4.19Å; K456-F458 HydrophobicContact CD-CE2 4.24Å; K456-F458 HydrophobicContact CD-CZ 3.87Å; K456-E469 WeakPolarHBondContact CE-OE1 3.48Å; K456-E469 IonicContact NZ-OE1 3.43Å; K456-E469 PolarHBondContact NZ-OE1 3.19Å; K456-E469 IonicContact NZ-OE2 2.65Å; K456-E469 PolarHBondContact NZ-OE2 3.11Å; K456-E469 VanDerWaalsContact NZ-OE2 3.08Å
457M98.5Very high95.9Very high0 Ų062.7 Ų62.70%030%0.302CS..EExtended strand (participates in β ladder)trans-132.3136.2170.8-178.816776.700109.7Y442 C443 L444 V470 L489 Y507 W514Y442-M457 HydrophobicContact CD1-CE 4.27Å; Y442-M457 HydrophobicContact CD1-CG 4.45Å; Y442-M457 HydrophobicContact CD1-SD 4.2Å; C443-M457 CarbonylContact O-C 3.56Å; C443-M457 WeakPolarHBondContact O-CA 3.29Å; L444-M457 HydrophobicContact CB-CB 4.09Å; L444-M457 HydrophobicContact CB-CG 3.91Å; L444-M457 HydrophobicContact CB-SD 4.12Å; M457-V470 HydrophobicContact CB-CG2 3.82Å; M457-V470 HydrophobicContact CE-CB 4.37Å; M457-V470 HydrophobicContact CE-CG2 3.35Å; M457-V470 HydrophobicContact CG-CG2 3.56Å; M457-V470 WeakPolarHBondContact O-CG2 3.31Å; M457-V470 PolarHBondContact O-N 3Å; M457-V470 HydrophobicContact SD-CG2 4.25Å; M457-L489 HydrophobicContact SD-CD2 3.92Å; M457-Y507 HydrophobicContact CE-CD1 3.74Å; M457-Y507 HydrophobicContact CE-CD2 3.83Å; M457-Y507 HydrophobicContact CE-CE1 3.45Å; M457-Y507 VanDerWaalsContact CE-CE1 3.45Å; M457-Y507 HydrophobicContact CE-CE2 3.55Å; M457-Y507 HydrophobicContact CE-CG 3.91Å; M457-W514 HydrophobicContact CE-CZ2 4.13Å; M457-W514 HydrophobicContact SD-CZ2 3.95Å
458F98.7Very high96Very high11 Ų1167.1 Ų67.15%0.04832%0.321CS..EExtended strand (participates in β ladder)trans-122.3134.6178.5-59.1-87.4000109.9L425 P426 V427 Y442 C443 K456 W467 K468 E469L425-F458 HydrophobicContact CD1-CB 4.08Å; L425-F458 HydrophobicContact CD1-CD2 4.17Å; L425-F458 HydrophobicContact CD1-CG 4.22Å; P426-F458 HydrophobicContact CB-CE1 4.14Å; P426-F458 HydrophobicContact CG-CD1 4.07Å; P426-F458 HydrophobicContact CG-CE1 4.08Å; V427-F458 HydrophobicContact CG1-CD2 4.46Å; V427-F458 HydrophobicContact CG1-CE2 3.73Å; V427-F458 HydrophobicContact CG1-CZ 4.25Å; Y442-F458 CarbonylContact C-O 3.57Å; Y442-F458 VanDerWaalsContact CA-O 3.3Å; Y442-F458 WeakPolarHBondContact CA-O 3.45Å; C443-F458 PolarHBondContact N-O 2.91Å; C443-F458 PolarHBondContact O-N 3.27Å; K456-F458 HydrophobicContact CB-CE2 3.82Å; K456-F458 HydrophobicContact CB-CZ 4.19Å; K456-F458 HydrophobicContact CD-CE2 4.24Å; K456-F458 HydrophobicContact CD-CZ 3.87Å; F458-W467 HydrophobicContact CB-CE3 3.57Å; F458-W467 HydrophobicContact CB-CZ3 3.94Å; F458-K468 CarbonylContact C-O 3.53Å; F458-K468 WeakPolarHBondContact CA-O 3.43Å; F458-E469 HydrophobicContact CD1-CB 3.93Å; F458-E469 HydrophobicContact CD1-CG 4.29Å; F458-E469 HydrophobicContact CE1-CB 3.82Å; F458-E469 HydrophobicContact CE1-CG 3.94Å; F458-E469 HydrophobicContact CZ-CG 4.48Å
459A98.6Very high96.2Very high9 Ų970 Ų707%0.07433%0.332CS..EExtended strand (participates in β ladder)trans-104.1125.9174.200000109.9Y442 W467 K468 V470Y442-A459 HydrophobicContact CD1-CB 3.71Å; Y442-A459 HydrophobicContact CE1-CB 3.52Å; A459-W467 WeakPolarHBondContact O-CA 3.47Å; A459-K468 PolarHBondContact N-O 3.1Å; A459-K468 PolarHBondContact O-N 2.93Å; A459-V470 HydrophobicContact CB-CG1 4.06Å
460Y98.7Very high96.5Very high2 Ų267.2 Ų67.21%0.00832%0.318CS..EExtended strand (participates in β ladder)trans-98.9122.9176.7-173.9-131.7000111.2F393 K423 L440 V441 H462 E466 W467F393-Y460 HydrophobicContact CD1-CE1 4.19Å; F393-Y460 HydrophobicContact CE1-CD1 4.39Å; F393-Y460 AromaticContact CE1-CE1 3.75Å; F393-Y460 HydrophobicContact CE1-CE1 3.75Å; F393-Y460 HydrophobicContact CZ-CE1 4.3Å; K423-Y460 HydrophobicContact CB-CE2 3.84Å; L440-Y460 WeakPolarHBondContact CA-O 3.22Å; L440-Y460 WeakPolarHBondContact CD2-O 3.28Å; V441-Y460 PolarHBondContact N-O 3.44Å; V441-Y460 WeakPolarHBondContact O-CB 3.47Å; V441-Y460 PolarHBondContact O-N 3.39Å; Y460-H462 HydrophobicContact CD1-CB 4.32Å; Y460-H462 HydrophobicContact CE1-CB 3.78Å; Y460-H462 AromaticContact CE1-ND1 3.74Å; Y460-H462 AromaticContact CZ-ND1 3.87Å; Y460-H462 PolarHBondContact OH-ND1 3.3Å; Y460-E466 WeakPolarHBondContact CD2-O 3.44Å; Y460-W467 HydrophobicContact CD1-CZ2 4.32Å; Y460-W467 AromaticContact CD2-CD1 3.76Å; Y460-W467 AromaticContact CD2-CD2 3.79Å; Y460-W467 HydrophobicContact CD2-CD2 3.79Å; Y460-W467 AromaticContact CD2-CE2 3.56Å; Y460-W467 HydrophobicContact CD2-CE3 4.5Å; Y460-W467 AromaticContact CD2-CG 3.92Å; Y460-W467 HydrophobicContact CD2-CG 3.92Å; Y460-W467 HydrophobicContact CD2-CZ2 4.11Å; Y460-W467 AromaticContact CD2-NE1 3.51Å; Y460-W467 AromaticContact CE2-NE1 3.91Å; Y460-W467 HydrophobicContact CG-CD2 4.05Å; Y460-W467 AromaticContact CG-CE2 3.71Å; Y460-W467 HydrophobicContact CG-CE3 4.39Å; Y460-W467 HydrophobicContact CG-CH2 4.21Å; Y460-W467 AromaticContact CG-CZ2 3.79Å; Y460-W467 HydrophobicContact CG-CZ2 3.79Å; Y460-W467 HydrophobicContact CG-CZ3 4.49Å
461N97.9Very high96.9Very high44 Ų4462.1 Ų62.124%0.23530%0.299CS..EExtended strand (participates in β ladder)trans-101.6101167.5-172.4-42.1000109L440 K463 R464 S465 E466L440-N461 HydrophobicContact CD2-CB 3.61Å; N461-K463 VanDerWaalsContact C-N 3.34Å; N461-K463 PolarHBondContact O-N 3.31Å; N461-K463 WeakPolarHBondContact OD1-CB 3.28Å; N461-K463 PolarHBondContact OD1-N 3.39Å; N461-K463 VanDerWaalsContact OD1-N 3.15Å; N461-R464 HydrophobicContact CB-CB 4.26Å; N461-R464 CarbonylContact O-C 3.53Å; N461-R464 PolarHBondContact O-N 2.98Å; N461-R464 PolarHBondContact OD1-N 2.73Å; N461-S465 PolarHBondContact O-N 2.82Å; N461-E466 PolarHBondContact N-O 2.83Å; N461-E466 PolarHBondContact O-N 2.96Å
462H96.5Very high97.6Very high58 Ų5859 Ų5927%0.26929%0.286SS..G310 helixtrans-61.5-41.1-179.1-177.464.3000112.5F388 L391 F393 Y460 R464 S465F388-H462 HydrophobicContact CD1-CB 4.44Å; L391-H462 WeakPolarHBondContact CD1-CD2 3.37Å; L391-H462 VanDerWaalsContact CD1-NE2 3.26Å; L391-H462 WeakPolarHBondContact CD1-NE2 3.18Å; F393-H462 AromaticContact CE1-ND1 3.73Å; F393-H462 HydrophobicContact CZ-CB 4.04Å; F393-H462 AromaticContact CZ-CG 3.78Å; F393-H462 AromaticContact CZ-ND1 3.79Å; Y460-H462 HydrophobicContact CD1-CB 4.32Å; Y460-H462 HydrophobicContact CE1-CB 3.78Å; Y460-H462 AromaticContact CE1-ND1 3.74Å; Y460-H462 AromaticContact CZ-ND1 3.87Å; Y460-H462 PolarHBondContact OH-ND1 3.3Å; H462-R464 PolarHBondContact O-N 3.29Å; H462-R464 VanDerWaalsContact O-N 3.15Å; H462-S465 PolarHBondContact O-N 2.95Å
463K96.3Very high97.8Very high144 Ų14454.2 Ų54.263%0.62627%0.265SS*.G310 helixtrans-60.3-27.2178.8-71.5179.1170.81620113F388 E389 N461F388-K463 HydrophobicContact CE1-CD 4.35Å; F388-K463 HydrophobicContact CE1-CG 4.17Å; F388-K463 HydrophobicContact CZ-CD 3.92Å; F388-K463 VanDerWaalsContact CZ-CE 3.42Å; F388-K463 HydrophobicContact CZ-CG 4.14Å; E389-K463 IonicContact OE1-NZ 3.08Å; E389-K463 PolarHBondContact OE1-NZ 3.49Å; N461-K463 VanDerWaalsContact C-N 3.34Å; N461-K463 PolarHBondContact O-N 3.31Å; N461-K463 WeakPolarHBondContact OD1-CB 3.28Å; N461-K463 PolarHBondContact OD1-N 3.39Å; N461-K463 VanDerWaalsContact OD1-N 3.15Å
464R96.8Very high97.8Very high189 Ų18961.8 Ų61.871%0.71330%0.295SS*.G310 helixtrans-102.7-5.6176.2-63.5-176.6179.8-172.9-0113.7N461 H462 E466N461-R464 HydrophobicContact CB-CB 4.26Å; N461-R464 CarbonylContact O-C 3.53Å; N461-R464 PolarHBondContact O-N 2.98Å; N461-R464 PolarHBondContact OD1-N 2.73Å; H462-R464 PolarHBondContact O-N 3.29Å; H462-R464 VanDerWaalsContact O-N 3.15Å; R464-E466 VanDerWaalsContact C-N 3.27Å; R464-E466 HydrophobicContact CB-CB 4.25Å; R464-E466 PolarHBondContact O-N 3.46Å
465S96.1Very high97.8Very high61 Ų6162.1 Ų62.143%0.42730%0.297SS..THydrogen-bonded Turntrans50.445.8-173-155.90000113.1N461 H462N461-S465 PolarHBondContact O-N 2.82Å; H462-S465 PolarHBondContact O-N 2.95Å
466E97.8Very high97.8Very high99 Ų9962.1 Ų62.146%0.46330%0.3SS..EExtended strand (participates in β ladder)trans-133.2134.6-171.6-173-175.4-179.100112Y460 N461 R464Y460-E466 WeakPolarHBondContact CD2-O 3.44Å; N461-E466 PolarHBondContact N-O 2.83Å; N461-E466 PolarHBondContact O-N 2.96Å; R464-E466 VanDerWaalsContact C-N 3.27Å; R464-E466 HydrophobicContact CB-CB 4.25Å; R464-E466 PolarHBondContact O-N 3.46Å
467W98.6Very high97.8Very high24 Ų2458.4 Ų58.49%0.09128%0.284CS..EExtended strand (participates in β ladder)trans-99.5134.2166.6-7499.2000110.1V395 V409 K423 K424 L425 P426 C443 F458 A459 Y460V395-W467 HydrophobicContact CG1-CH2 4.27Å; V395-W467 HydrophobicContact CG1-CZ2 4.48Å; V409-W467 HydrophobicContact CG2-CZ2 3.92Å; K423-W467 PolarHBondContact O-NE1 3.35Å; K424-W467 PolarHBondContact O-NE1 2.9Å; L425-W467 HydrophobicContact CD1-CD2 3.86Å; L425-W467 HydrophobicContact CD1-CE3 3.75Å; L425-W467 HydrophobicContact CD1-CH2 3.82Å; L425-W467 HydrophobicContact CD1-CZ2 3.97Å; L425-W467 HydrophobicContact CD1-CZ3 3.7Å; P426-W467 HydrophobicContact CG-CB 3.87Å; P426-W467 HydrophobicContact CG-CG 4.45Å; C443-W467 HydrophobicContact CB-CH2 4.01Å; C443-W467 HydrophobicContact CB-CZ3 3.87Å; F458-W467 HydrophobicContact CB-CE3 3.57Å; F458-W467 HydrophobicContact CB-CZ3 3.94Å; A459-W467 WeakPolarHBondContact O-CA 3.47Å; Y460-W467 HydrophobicContact CD1-CZ2 4.32Å; Y460-W467 AromaticContact CD2-CD1 3.76Å; Y460-W467 AromaticContact CD2-CD2 3.79Å; Y460-W467 HydrophobicContact CD2-CD2 3.79Å; Y460-W467 AromaticContact CD2-CE2 3.56Å; Y460-W467 HydrophobicContact CD2-CE3 4.5Å; Y460-W467 AromaticContact CD2-CG 3.92Å; Y460-W467 HydrophobicContact CD2-CG 3.92Å; Y460-W467 HydrophobicContact CD2-CZ2 4.11Å; Y460-W467 AromaticContact CD2-NE1 3.51Å; Y460-W467 AromaticContact CE2-NE1 3.91Å; Y460-W467 HydrophobicContact CG-CD2 4.05Å; Y460-W467 AromaticContact CG-CE2 3.71Å; Y460-W467 HydrophobicContact CG-CE3 4.39Å; Y460-W467 HydrophobicContact CG-CH2 4.21Å; Y460-W467 AromaticContact CG-CZ2 3.79Å; Y460-W467 HydrophobicContact CG-CZ2 3.79Å; Y460-W467 HydrophobicContact CG-CZ3 4.49Å
468K98.3Very high97.8Very high138 Ų13858.7 Ų58.760%0.629%0.286SS*.EExtended strand (participates in β ladder)trans-125.1128.2175.9-175.9175.8178.4-179.10110.5F458 A459 V470F458-K468 CarbonylContact C-O 3.53Å; F458-K468 WeakPolarHBondContact CA-O 3.43Å; A459-K468 PolarHBondContact N-O 3.1Å; A459-K468 PolarHBondContact O-N 2.93Å; K468-V470 PolarHBondContact O-N 2.81Å
469E98.4Very high97.8Very high93 Ų9361 Ų6144%0.43530%0.298SS..EExtended strand (participates in β ladder)trans-67.5129.4169.8-166.1167.3152.100109.1K456 F458K456-E469 WeakPolarHBondContact CE-OE1 3.48Å; K456-E469 IonicContact NZ-OE1 3.43Å; K456-E469 PolarHBondContact NZ-OE1 3.19Å; K456-E469 IonicContact NZ-OE2 2.65Å; K456-E469 PolarHBondContact NZ-OE2 3.11Å; K456-E469 VanDerWaalsContact NZ-OE2 3.08Å; F458-E469 HydrophobicContact CD1-CB 3.93Å; F458-E469 HydrophobicContact CD1-CG 4.29Å; F458-E469 HydrophobicContact CE1-CB 3.82Å; F458-E469 HydrophobicContact CE1-CG 3.94Å; F458-E469 HydrophobicContact CZ-CG 4.48Å
470V98.4Very high97.8Very high25 Ų2561.1 Ų61.115%0.15230%0.296CS..EExtended strand (participates in β ladder)trans-115.6-179.8177.6-690000109M457 A459 K468 S472M457-V470 HydrophobicContact CB-CG2 3.82Å; M457-V470 HydrophobicContact CE-CB 4.37Å; M457-V470 HydrophobicContact CE-CG2 3.35Å; M457-V470 HydrophobicContact CG-CG2 3.56Å; M457-V470 WeakPolarHBondContact O-CG2 3.31Å; M457-V470 PolarHBondContact O-N 3Å; M457-V470 HydrophobicContact SD-CG2 4.25Å; A459-V470 HydrophobicContact CB-CG1 4.06Å; K468-V470 PolarHBondContact O-N 2.81Å; V470-S472 PolarHBondContact O-N 3.21Å
471A98.3Very high97.7Very high29 Ų2961.1 Ų61.124%0.2430%0.297CS..PPolyproline II helixtrans-58.3134.5-175.200000111.4Y507 N512 W514A471-Y507 HydrophobicContact CB-CE2 4.29Å; A471-N512 WeakPolarHBondContact CB-O 3.15Å; A471-N512 WeakPolarHBondContact CB-OD1 3.03Å; A471-N512 PolarHBondContact N-OD1 3Å; A471-W514 PolarHBondContact O-NE1 3.46Å
472S98.1Very high97.8Very high42 Ų4260 Ų6029%0.29429%0.294SS..PPolyproline II helixtrans-83.1150.4-178.1-55.50000112N455 V470N455-S472 WeakPolarHBondContact O-CA 3.43Å; N455-S472 WeakPolarHBondContact O-CB 3.47Å; V470-S472 PolarHBondContact O-N 3.21Å
473M97.9Very high97.9Very high3 Ų358.1 Ų58.12%0.01529%0.287CS..PPolyproline II helixtrans-59.8158.5170.6-67.4175.2-70.700110.7L444 N455 R477 F480 V491 W514L444-M473 HydrophobicContact CB-CE 4.36Å; L444-M473 HydrophobicContact CD1-SD 4.31Å; N455-M473 HydrophobicContact CB-CB 4.14Å; N455-M473 WeakPolarHBondContact CB-O 3.36Å; N455-M473 PolarHBondContact ND2-O 3.34Å; N455-M473 PolarHBondContact O-N 3Å; M473-R477 HydrophobicContact CE-CG 4.06Å; M473-R477 HydrophobicContact SD-CG 4.29Å; M473-F480 HydrophobicContact CE-CZ 4.32Å; M473-V491 HydrophobicContact SD-CG1 4.31Å; M473-V491 HydrophobicContact SD-CG2 4.01Å; M473-W514 HydrophobicContact CB-CD2 4.43Å; M473-W514 HydrophobicContact CG-CD2 3.78Å; M473-W514 VanDerWaalsContact CG-CE2 3.43Å; M473-W514 HydrophobicContact CG-CE3 3.93Å; M473-W514 HydrophobicContact CG-CH2 3.44Å; M473-W514 VanDerWaalsContact CG-CH2 3.44Å; M473-W514 HydrophobicContact CG-CZ2 3.27Å; M473-W514 HydrophobicContact CG-CZ3 3.77Å; M473-W514 HydrophobicContact SD-CH2 3.84Å; M473-W514 HydrophobicContact SD-CZ2 4.12Å; M473-W514 HydrophobicContact SD-CZ3 4.29Å
474K97.3Very high98Very high174 Ų17453 Ų5376%0.75727%0.266SS*.SBendtrans-71.9-44.1171.7-172.4-177.6176.4-170.60110.8E505K474-E505 WeakPolarHBondContact CB-OE2 3.41Å; K474-E505 PolarHBondContact N-OE2 2.83Å
475T97.1Very high98.1Very high32 Ų3244.4 Ų44.420%0.19623%0.234CC..SBendtrans-103.1115.3-176.2-56.50000110.6R477 E505T475-R477 PolarHBondContact O-NE 2.93Å; T475-E505 WeakPolarHBondContact CB-OE1 3.26Å; T475-E505 PolarHBondContact N-OE1 2.93Å
476P97.9Very high98Very high49 Ų4947.9 Ų47.932%0.31824%0.241SC..  trans-59.7137.5169.5-18.129.7000110.9A453 T454 N455 N496A453-P476 HydrophobicContact CB-CB 4.08Å; T454-P476 WeakPolarHBondContact O-CA 3.33Å; N455-P476 HydrophobicContact CB-CB 4.15Å; N455-P476 HydrophobicContact CB-CG 4Å; P476-N496 WeakPolarHBondContact O-CB 3.38Å
477R98.1Very high98Very high0 Ų045.3 Ų45.30%024%0.241CC..  trans-158.1148.5-174.158.7-176.678.8-152.411.1112.8G446 T454 M473 T475 F480 G493 V495 A503 E505G446-R477 PolarHBondContact N-O 3.47Å; T454-R477 PolarHBondContact O-N 2.85Å; T454-R477 VanDerWaalsContact O-N 3.17Å; M473-R477 HydrophobicContact CE-CG 4.06Å; M473-R477 HydrophobicContact SD-CG 4.29Å; T475-R477 PolarHBondContact O-NE 2.93Å; R477-F480 HydrophobicContact CB-CD1 4.15Å; R477-F480 HydrophobicContact CB-CG 4.47Å; R477-F480 HydrophobicContact CG-CB 4.41Å; R477-F480 HydrophobicContact CG-CD1 3.58Å; R477-F480 HydrophobicContact CG-CD2 4.24Å; R477-F480 HydrophobicContact CG-CE1 3.78Å; R477-F480 HydrophobicContact CG-CE2 4.4Å; R477-F480 HydrophobicContact CG-CG 3.84Å; R477-F480 HydrophobicContact CG-CZ 4.18Å; R477-G493 PolarHBondContact NH1-O 2.99Å; R477-V495 CarbonylContact C-O 3.36Å; R477-V495 WeakPolarHBondContact CA-O 3.3Å; R477-A503 PolarHBondContact NH1-O 3.01Å; R477-E505 IonicContact CZ-OE1 2.71Å; R477-E505 IonicContact NH2-OE1 3.49Å; R477-E505 PolarHBondContact NH2-OE1 2.69Å
478S98.3Very high97.9Very high6 Ų648.3 Ų48.34%0.04226%0.255CS..BIsolated β-bridgetrans-128.1168.1164.468.20000110.4G431 F480 G494 V495G431-S478 CarbonylContact O-C 3.5Å; G431-S478 WeakPolarHBondContact O-CA 3.38Å; G431-S478 WeakPolarHBondContact O-CB 3.36Å; S478-F480 VanDerWaalsContact C-N 3.33Å; S478-F480 PolarHBondContact O-N 2.98Å; S478-G494 CarbonylContact O-C 3.59Å; S478-G494 VanDerWaalsContact O-CA 3.28Å; S478-G494 WeakPolarHBondContact O-CA 3.37Å; S478-V495 PolarHBondContact N-O 3.44Å; S478-V495 PolarHBondContact O-N 2.83Å
479M97.8Very high98Very high61 Ų6141.8 Ų41.830%0.323%0.226SC..SBendtrans49.451.7179.2-53-58.5-65.700111.8L382 G431 G494 V495 S525 S526L382-M479 HydrophobicContact CD2-CE 3.83Å; L382-M479 HydrophobicContact CD2-SD 3.93Å; G431-M479 PolarHBondContact O-N 3.03Å; M479-G494 WeakPolarHBondContact O-CA 3.41Å; M479-V495 HydrophobicContact CB-CG2 4.27Å; M479-S525 CarbonylContact O-C 3.51Å; M479-S525 WeakPolarHBondContact O-CA 3.38Å; M479-S526 WeakPolarHBondContact CE-OG 3.3Å; M479-S526 PolarHBondContact O-N 3.19Å
480F98.6Very high98Very high10 Ų1037.6 Ų37.64%0.04421%0.207CC..  trans-118.5170-176.164.1-81.3000110.6C433 L444 M473 R477 S478 A482 V491 G493C433-F480 HydrophobicContact CB-CE1 4.47Å; C433-F480 HydrophobicContact CB-CE2 4.02Å; C433-F480 HydrophobicContact CB-CZ 3.87Å; C433-F480 PolarHBondContact SG-O 3.07Å; L444-F480 HydrophobicContact CD1-CE2 3.71Å; L444-F480 HydrophobicContact CD1-CZ 3.79Å; L444-F480 HydrophobicContact CG-CE2 4.27Å; L444-F480 HydrophobicContact CG-CZ 3.9Å; L444-F480 WeakPolarHBondContact O-CZ 3.5Å; M473-F480 HydrophobicContact CE-CZ 4.32Å; R477-F480 HydrophobicContact CB-CD1 4.15Å; R477-F480 HydrophobicContact CB-CG 4.47Å; R477-F480 HydrophobicContact CG-CB 4.41Å; R477-F480 HydrophobicContact CG-CD1 3.58Å; R477-F480 HydrophobicContact CG-CD2 4.24Å; R477-F480 HydrophobicContact CG-CE1 3.78Å; R477-F480 HydrophobicContact CG-CE2 4.4Å; R477-F480 HydrophobicContact CG-CG 3.84Å; R477-F480 HydrophobicContact CG-CZ 4.18Å; S478-F480 VanDerWaalsContact C-N 3.33Å; S478-F480 PolarHBondContact O-N 2.98Å; F480-A482 HydrophobicContact CD2-CB 4.47Å; F480-A482 HydrophobicContact CE2-CB 4.08Å; F480-V491 HydrophobicContact CD2-CB 3.98Å; F480-V491 HydrophobicContact CD2-CG1 4.24Å; F480-V491 HydrophobicContact CE2-CB 4Å; F480-V491 HydrophobicContact CE2-CG1 3.76Å; F480-G493 VanDerWaalsContact CB-O 3.27Å; F480-G493 WeakPolarHBondContact CB-O 3.36Å
481G98.4Very high98Very high2 Ų236.4 Ų36.42%0.02120%0.199CC..EExtended strand (participates in β ladder)trans-93.5139.2174.300000111.7V491 A492 I527G481-V491 CarbonylContact O-C 3.23Å; G481-V491 WeakPolarHBondContact O-CA 3.43Å; G481-A492 PolarHBondContact N-O 2.8Å; G481-A492 PolarHBondContact O-N 2.94Å; G481-I527 WeakPolarHBondContact CA-O 3.28Å; G481-I527 PolarHBondContact N-O 3.33Å
482A98.6Very high98Very high21 Ų2135 Ų3517%0.17419%0.188CC..EExtended strand (participates in β ladder)trans-141.2136.4176.700000111C433 V435 L444 F480 L489 I490 V491C433-A482 HydrophobicContact CB-CB 3.62Å; V435-A482 HydrophobicContact CG1-CB 4.17Å; L444-A482 HydrophobicContact CD1-CB 4.42Å; F480-A482 HydrophobicContact CD2-CB 4.47Å; F480-A482 HydrophobicContact CE2-CB 4.08Å; A482-L489 HydrophobicContact CB-CD1 4.2Å; A482-I490 WeakPolarHBondContact CA-O 3.48Å; A482-V491 HydrophobicContact CB-CG1 4.12Å
483V98.6Very high98Very high19 Ų1933 Ų3312%0.11517%0.174CC..EExtended strand (participates in β ladder)trans-152.9151.217971.60000112.3L489 I490 M529 L536V483-L489 WeakPolarHBondContact O-CA 3.11Å; V483-I490 HydrophobicContact CG1-CB 4.49Å; V483-I490 PolarHBondContact N-O 2.95Å; V483-I490 PolarHBondContact O-N 2.57Å; V483-M529 HydrophobicContact CB-CB 3.86Å; V483-M529 HydrophobicContact CG1-CB 3.71Å; V483-M529 HydrophobicContact CG1-CE 4.38Å; V483-L536 HydrophobicContact CG1-CD1 3.51Å
484I98.4Very high98Very high37 Ų3732.9 Ų32.919%0.1917%0.173CC..EExtended strand (participates in β ladder)trans-84.9119.2167.6-52-56.6000108.7V435 E437 K488 L489 F509 S531V435-I484 HydrophobicContact CB-CD1 4.08Å; V435-I484 HydrophobicContact CB-CG1 4.34Å; V435-I484 HydrophobicContact CG2-CD1 3.97Å; E437-I484 HydrophobicContact CB-CD1 4.11Å; E437-I484 HydrophobicContact CB-CG1 4.29Å; E437-I484 HydrophobicContact CG-CD1 4.47Å; E437-I484 HydrophobicContact CG-CG2 4.43Å; I484-K488 CarbonylContact C-O 3.5Å; I484-K488 WeakPolarHBondContact CA-O 3.22Å; I484-L489 HydrophobicContact CD1-CB 3.92Å; I484-L489 HydrophobicContact CD1-CD1 4.17Å; I484-F509 HydrophobicContact CD1-CE2 3.76Å; I484-F509 HydrophobicContact CD1-CZ 3.52Å; I484-S531 WeakPolarHBondContact O-CB 3.36Å
485H98.2Very high98Very high8 Ų826.4 Ų26.44%0.03715%0.148CC..EExtended strand (participates in β ladder)trans-131.4123.9176.5-17268.2000110.1G487 K488 I490 S531 G534 L535 L536 E565H485-G487 PolarHBondContact O-N 3.46Å; H485-G487 VanDerWaalsContact O-N 3.13Å; H485-K488 PolarHBondContact N-O 2.76Å; H485-K488 PolarHBondContact O-N 3.33Å; H485-I490 HydrophobicContact CB-CG1 4.11Å; H485-S531 PolarHBondContact ND1-OG 3.31Å; H485-G534 PolarHBondContact CE1-O 3.32Å; H485-G534 VanDerWaalsContact CE1-O 3.31Å; H485-L535 VanDerWaalsContact CE1-C 3.48Å; H485-L536 HydrophobicContact CB-CD1 4.16Å; H485-E565 IonicContact CD2-OE1 2.61Å; H485-E565 IonicContact NE2-OE1 3.07Å; H485-E565 PolarHBondContact NE2-OE1 2.94Å; H485-E565 VanDerWaalsContact NE2-OE1 3.14Å
486K95.9Very high97.9Very high134 Ų13426.3 Ų26.358%0.58315%0.147SC*.THydrogen-bonded Turntrans46.943-179.7-65.4176.9-176.9161.90113.7K488 G534 E565K486-K488 VanDerWaalsContact C-N 3.32Å; K486-K488 PolarHBondContact O-N 3.13Å; K486-G534 WeakPolarHBondContact CE-O 3.25Å; K486-E565 WeakPolarHBondContact CD-OE1 3.37Å; K486-E565 IonicContact NZ-OE1 2.77Å; K486-E565 PolarHBondContact NZ-OE1 2.76Å
487G95.9Very high97.6Very high44 Ų4430.8 Ų30.845%0.45416%0.163SC..THydrogen-bonded Turntrans77.88.3177.300000115.4H485 F509H485-G487 PolarHBondContact O-N 3.46Å; H485-G487 VanDerWaalsContact O-N 3.13Å; G487-F509 WeakPolarHBondContact O-CD2 3.39Å
488K98.1Very high97.4Very high88 Ų8838.2 Ų38.238%0.38320%0.203SC..EExtended strand (participates in β ladder)trans-119.1151.3173.5-66.2-174.5178.2-177.20110.6I484 H485 K486 I490 Y507I484-K488 CarbonylContact C-O 3.5Å; I484-K488 WeakPolarHBondContact CA-O 3.22Å; H485-K488 PolarHBondContact N-O 2.76Å; H485-K488 PolarHBondContact O-N 3.33Å; K486-K488 VanDerWaalsContact C-N 3.32Å; K486-K488 PolarHBondContact O-N 3.13Å; K488-I490 HydrophobicContact CB-CD1 4.19Å; K488-Y507 WeakPolarHBondContact CA-O 3.31Å
489L98.8Very high97.2Very high0 Ų039.3 Ų39.30%022%0.215CC..EExtended strand (participates in β ladder)trans-89.9119.4171.7163.861000108.7V435 L444 M457 A482 V483 I484 V491 A506 Y507 F509 W514V435-L489 HydrophobicContact CG1-CD1 3.93Å; V435-L489 HydrophobicContact CG2-CD1 3.99Å; V435-L489 HydrophobicContact CG2-CD2 4.04Å; L444-L489 HydrophobicContact CD1-CD2 4Å; L444-L489 HydrophobicContact CD2-CD2 4.37Å; M457-L489 HydrophobicContact SD-CD2 3.92Å; A482-L489 HydrophobicContact CB-CD1 4.2Å; V483-L489 WeakPolarHBondContact O-CA 3.11Å; I484-L489 HydrophobicContact CD1-CB 3.92Å; I484-L489 HydrophobicContact CD1-CD1 4.17Å; L489-V491 HydrophobicContact CD1-CG1 4.31Å; L489-V491 HydrophobicContact CG-CG1 4.39Å; L489-A506 CarbonylContact O-C 3.54Å; L489-A506 VanDerWaalsContact O-CA 3.3Å; L489-A506 WeakPolarHBondContact O-CA 3.35Å; L489-Y507 HydrophobicContact CB-CD1 4.43Å; L489-Y507 PolarHBondContact N-O 3Å; L489-Y507 PolarHBondContact O-N 3.45Å; L489-F509 HydrophobicContact CB-CE2 3.84Å; L489-F509 HydrophobicContact CB-CZ 3.67Å; L489-F509 HydrophobicContact CD2-CZ 4.49Å; L489-W514 HydrophobicContact CD2-CH2 3.99Å; L489-W514 HydrophobicContact CD2-CZ2 4.42Å; L489-W514 HydrophobicContact CG-CH2 4.24Å
490I98.8Very high97.1Very high5 Ų538.2 Ų38.23%0.02621%0.211CC..EExtended strand (participates in β ladder)trans-106.5133.4177-48.3-57000108.4A482 V483 H485 K488 E505 A506 F517 M529 L536A482-I490 WeakPolarHBondContact CA-O 3.48Å; V483-I490 HydrophobicContact CG1-CB 4.49Å; V483-I490 PolarHBondContact N-O 2.95Å; V483-I490 PolarHBondContact O-N 2.57Å; H485-I490 HydrophobicContact CB-CG1 4.11Å; K488-I490 HydrophobicContact CB-CD1 4.19Å; I490-E505 WeakPolarHBondContact CA-O 3.41Å; I490-A506 HydrophobicContact CD1-CB 3.48Å; I490-A506 VanDerWaalsContact CD1-CB 3.48Å; I490-F517 HydrophobicContact CD1-CD2 4.16Å; I490-F517 HydrophobicContact CD1-CE2 4.15Å; I490-F517 HydrophobicContact CG2-CD1 4.08Å; I490-F517 HydrophobicContact CG2-CE1 4.14Å; I490-F517 HydrophobicContact CG2-CG 4.26Å; I490-F517 HydrophobicContact CG2-CZ 4.38Å; I490-M529 HydrophobicContact CG2-CE 4.29Å; I490-L536 HydrophobicContact CG2-CD2 4.38Å
491V98.7Very high97Very high0 Ų038.7 Ų38.70%021%0.214CC..EExtended strand (participates in β ladder)trans-120.4143.4173.8-55.70000110.5L444 M473 F480 G481 A482 L489 C504 E505 W514L444-V491 HydrophobicContact CD1-CG1 3.63Å; M473-V491 HydrophobicContact SD-CG1 4.31Å; M473-V491 HydrophobicContact SD-CG2 4.01Å; F480-V491 HydrophobicContact CD2-CB 3.98Å; F480-V491 HydrophobicContact CD2-CG1 4.24Å; F480-V491 HydrophobicContact CE2-CB 4Å; F480-V491 HydrophobicContact CE2-CG1 3.76Å; G481-V491 CarbonylContact O-C 3.23Å; G481-V491 WeakPolarHBondContact O-CA 3.43Å; A482-V491 HydrophobicContact CB-CG1 4.12Å; L489-V491 HydrophobicContact CD1-CG1 4.31Å; L489-V491 HydrophobicContact CG-CG1 4.39Å; V491-C504 WeakPolarHBondContact O-CA 3.32Å; V491-C504 WeakPolarHBondContact O-CB 3.34Å; V491-E505 HydrophobicContact CG2-CB 3.79Å; V491-E505 PolarHBondContact N-O 3.17Å; V491-E505 PolarHBondContact O-N 3.19Å; V491-W514 HydrophobicContact CG1-CH2 3.88Å; V491-W514 HydrophobicContact CG1-CZ3 4.02Å; V491-W514 HydrophobicContact CG2-CH2 4.38Å; V491-W514 HydrophobicContact CG2-CZ3 3.84Å
492A98.5Very high97Very high0 Ų039.2 Ų39.20%022%0.219CC..EExtended strand (participates in β ladder)trans-139.5134.5-177.400000112.3G481 C504 I527 M529G481-A492 PolarHBondContact N-O 2.8Å; G481-A492 PolarHBondContact O-N 2.94Å; A492-C504 VanDerWaalsContact CB-SG 3.58Å; A492-I527 HydrophobicContact CB-CD1 4.43Å; A492-M529 HydrophobicContact CB-CE 4.09Å; A492-M529 HydrophobicContact CB-CG 4.06Å; A492-M529 HydrophobicContact CB-SD 3.58Å; A492-M529 VanDerWaalsContact CB-SD 3.58Å
493G98Very high97Very high0 Ų038.9 Ų38.90%022%0.215CC..EExtended strand (participates in β ladder)trans58.4-150.1176.700000114.8R477 F480 T501 A503R477-G493 PolarHBondContact NH1-O 2.99Å; F480-G493 VanDerWaalsContact CB-O 3.27Å; F480-G493 WeakPolarHBondContact CB-O 3.36Å; G493-T501 WeakPolarHBondContact CA-O 3.38Å; G493-A503 PolarHBondContact N-O 3.2Å; G493-A503 VanDerWaalsContact N-O 3.17Å
494G97.8Very high97Very high0 Ų038.2 Ų38.20%021%0.212CC..EExtended strand (participates in β ladder)trans122-172.7-17800000114S478 M479 L500 T501 R524S478-G494 CarbonylContact O-C 3.59Å; S478-G494 VanDerWaalsContact O-CA 3.28Å; S478-G494 WeakPolarHBondContact O-CA 3.37Å; M479-G494 WeakPolarHBondContact O-CA 3.41Å; G494-L500 WeakPolarHBondContact O-CA 3.32Å; G494-T501 PolarHBondContact O-N 2.83Å; G494-R524 PolarHBondContact N-O 3.36Å
495V97.2Very high97Very high38 Ų3837 Ų3723%0.2321%0.205CC..EExtended strand (participates in β ladder)trans-117.3135.2173.1-170.30000108.9R477 S478 M479 G499 L500R477-V495 CarbonylContact C-O 3.36Å; R477-V495 WeakPolarHBondContact CA-O 3.3Å; S478-V495 PolarHBondContact N-O 3.44Å; S478-V495 PolarHBondContact O-N 2.83Å; M479-V495 HydrophobicContact CB-CG2 4.27Å; V495-G499 CarbonylContact C-O 3.31Å; V495-G499 WeakPolarHBondContact CA-O 3.48Å; V495-L500 HydrophobicContact CG2-CD2 4Å
496N95.4Very high97Very high31 Ų3136.9 Ų36.917%0.16621%0.205CC..EExtended strand (participates in β ladder)trans-132.8-16517269.212.1000110.3A453 P476 D498 G499A453-N496 HydrophobicContact CB-CB 4.47Å; P476-N496 WeakPolarHBondContact O-CB 3.38Å; N496-D498 PolarHBondContact O-N 3.04Å; N496-D498 WeakPolarHBondContact OD1-CA 3.35Å; N496-D498 WeakPolarHBondContact OD1-CB 3.35Å; N496-D498 PolarHBondContact OD1-N 3.21Å; N496-G499 PolarHBondContact N-O 2.64Å; N496-G499 PolarHBondContact O-N 3.23Å; N496-G499 PolarHBondContact OD1-N 3.49Å; N496-G499 PolarHBondContact OD1-O 2.8Å
497E92.6Very high97.1Very high143 Ų14330.7 Ų30.767%0.66818%0.179SC*.THydrogen-bonded Turntrans-68.3-24.8-179.6-63.5-176.7175.500113
498D92.2Very high97.3Very high156 Ų15630.9 Ų30.983%0.83417%0.169SC*.THydrogen-bonded Turntrans-88.1-8.3179.8-57.2-49.1000112.9N496N496-D498 PolarHBondContact O-N 3.04Å; N496-D498 WeakPolarHBondContact OD1-CA 3.35Å; N496-D498 WeakPolarHBondContact OD1-CB 3.35Å; N496-D498 PolarHBondContact OD1-N 3.21Å
499G93.8Very high97.2Very high29 Ų2928 Ų2830%0.29916%0.157SC..EExtended strand (participates in β ladder)trans119.8-141.3-179.900000113V495 N496V495-G499 CarbonylContact C-O 3.31Å; V495-G499 WeakPolarHBondContact CA-O 3.48Å; N496-G499 PolarHBondContact N-O 2.64Å; N496-G499 PolarHBondContact O-N 3.23Å; N496-G499 PolarHBondContact OD1-N 3.49Å; N496-G499 PolarHBondContact OD1-O 2.8Å
500L96.9Very high97.1Very high38 Ų3831.7 Ų31.720%0.19920%0.195CC..EExtended strand (participates in β ladder)trans-73.2153.4173.1-62.3-178.2000109.8G494 V495 E523 M544G494-L500 WeakPolarHBondContact O-CA 3.32Å; V495-L500 HydrophobicContact CG2-CD2 4Å; L500-E523 HydrophobicContact CB-CB 3.67Å; L500-M544 HydrophobicContact CD1-CG 3.85Å
501T97.1Very high97.1Very high19 Ų1935.4 Ų35.412%0.11722%0.218CC..EExtended strand (participates in β ladder)trans-132.4152.1173.4-172.80000111.5G493 G494 A503 R524G493-T501 WeakPolarHBondContact CA-O 3.38Å; G494-T501 PolarHBondContact O-N 2.83Å; T501-A503 WeakPolarHBondContact OG1-CB 3.37Å; T501-A503 PolarHBondContact OG1-N 3.48Å; T501-R524 PolarHBondContact O-N 2.86Å
502A97.7Very high97Very high14 Ų1438.7 Ų38.712%0.11624%0.235CC..EExtended strand (participates in β ladder)trans-101.2-4.7171.200000112.5C504 F520 E523A502-C504 PolarHBondContact O-N 2.92Å; A502-C504 PolarHBondContact O-SG 3.26Å; A502-F520 VanDerWaalsContact CB-O 3.31Å; A502-F520 WeakPolarHBondContact CB-O 3.49Å; A502-F520 PolarHBondContact O-N 2.85Å; A502-E523 HydrophobicContact CB-CG 3.91Å
503A98.1Very high97Very high13 Ų1345.4 Ų45.411%0.10726%0.264CS..EExtended strand (participates in β ladder)trans-60.1132.3-172.100000111.4R477 G493 T501R477-A503 PolarHBondContact NH1-O 3.01Å; G493-A503 PolarHBondContact N-O 3.2Å; G493-A503 VanDerWaalsContact N-O 3.17Å; T501-A503 WeakPolarHBondContact OG1-CB 3.37Å; T501-A503 PolarHBondContact OG1-N 3.48Å
504C98.6Very high97.1Very high6 Ų647.3 Ų47.34%0.04127%0.272CS..EExtended strand (participates in β ladder)trans-117.4141173.3-630000110.5V491 A492 A502 F517 T518V491-C504 WeakPolarHBondContact O-CA 3.32Å; V491-C504 WeakPolarHBondContact O-CB 3.34Å; A492-C504 VanDerWaalsContact CB-SG 3.58Å; A502-C504 PolarHBondContact O-N 2.92Å; A502-C504 PolarHBondContact O-SG 3.26Å; C504-F517 HydrophobicContact CB-CB 3.86Å; C504-F517 HydrophobicContact CB-CD1 3.82Å; C504-F517 HydrophobicContact CB-CG 4.33Å; C504-F517 PolarHBondContact O-N 3.12Å; C504-T518 VanDerWaalsContact CB-O 3.26Å; C504-T518 WeakPolarHBondContact CB-O 3.4Å; C504-T518 PolarHBondContact SG-O 3.5Å
505E98.7Very high97.1Very high11 Ų1149.6 Ų49.65%0.05129%0.288CS..EExtended strand (participates in β ladder)trans-136.6149.8179.4-57.8-179.6-112.800110.3K474 T475 R477 I490 V491 W514K474-E505 WeakPolarHBondContact CB-OE2 3.41Å; K474-E505 PolarHBondContact N-OE2 2.83Å; T475-E505 WeakPolarHBondContact CB-OE1 3.26Å; T475-E505 PolarHBondContact N-OE1 2.93Å; R477-E505 IonicContact CZ-OE1 2.71Å; R477-E505 IonicContact NH2-OE1 3.49Å; R477-E505 PolarHBondContact NH2-OE1 2.69Å; I490-E505 WeakPolarHBondContact CA-O 3.41Å; V491-E505 HydrophobicContact CG2-CB 3.79Å; V491-E505 PolarHBondContact N-O 3.17Å; V491-E505 PolarHBondContact O-N 3.19Å; E505-W514 HydrophobicContact CB-CE3 3.67Å; E505-W514 HydrophobicContact CB-CZ3 4.02Å
506A98.6Very high97.1Very high5 Ų553.4 Ų53.44%0.04131%0.313CS..EExtended strand (participates in β ladder)trans-121.7129.1178.300000110.4L489 I490 W514 S515 F517L489-A506 CarbonylContact O-C 3.54Å; L489-A506 VanDerWaalsContact O-CA 3.3Å; L489-A506 WeakPolarHBondContact O-CA 3.35Å; I490-A506 HydrophobicContact CD1-CB 3.48Å; I490-A506 VanDerWaalsContact CD1-CB 3.48Å; A506-W514 CarbonylContact O-C 3.5Å; A506-W514 WeakPolarHBondContact O-CA 3.44Å; A506-S515 PolarHBondContact N-O 2.96Å; A506-S515 PolarHBondContact O-N 3.4Å; A506-S515 PolarHBondContact O-OG 3.44Å; A506-F517 HydrophobicContact CB-CB 4.36Å; A506-F517 HydrophobicContact CB-CD2 4.19Å
507Y98.8Very high97.3Very high5 Ų553.7 Ų53.72%0.0231%0.313CS..EExtended strand (participates in β ladder)trans-105.2132.2175.9177.8-100000111.5M457 A471 K488 L489 F509 N512 K513 W514M457-Y507 HydrophobicContact CE-CD1 3.74Å; M457-Y507 HydrophobicContact CE-CD2 3.83Å; M457-Y507 HydrophobicContact CE-CE1 3.45Å; M457-Y507 VanDerWaalsContact CE-CE1 3.45Å; M457-Y507 HydrophobicContact CE-CE2 3.55Å; M457-Y507 HydrophobicContact CE-CG 3.91Å; A471-Y507 HydrophobicContact CB-CE2 4.29Å; K488-Y507 WeakPolarHBondContact CA-O 3.31Å; L489-Y507 HydrophobicContact CB-CD1 4.43Å; L489-Y507 PolarHBondContact N-O 3Å; L489-Y507 PolarHBondContact O-N 3.45Å; Y507-F509 AromaticContact CD1-CD1 3.99Å; Y507-F509 HydrophobicContact CD1-CD1 3.99Å; Y507-F509 HydrophobicContact CD1-CD2 4.47Å; Y507-F509 HydrophobicContact CD1-CE1 4.04Å; Y507-F509 HydrophobicContact CD1-CG 4.2Å; Y507-F509 HydrophobicContact CD1-CZ 4.32Å; Y507-F509 HydrophobicContact CE1-CB 4.39Å; Y507-F509 AromaticContact CE1-CD1 3.57Å; Y507-F509 HydrophobicContact CE1-CD1 3.57Å; Y507-F509 AromaticContact CE1-CE1 3.93Å; Y507-F509 HydrophobicContact CE1-CE1 3.93Å; Y507-F509 AromaticContact CE1-CG 3.98Å; Y507-F509 HydrophobicContact CE1-CG 3.98Å; Y507-N512 WeakPolarHBondContact OH-CA 3.36Å; Y507-N512 PolarHBondContact OH-OD1 3.33Å; Y507-K513 WeakPolarHBondContact CA-O 3.35Å; Y507-K513 WeakPolarHBondContact CD2-O 3.17Å; Y507-W514 AromaticContact CD2-CD1 3.68Å; Y507-W514 AromaticContact CD2-CD2 3.93Å; Y507-W514 HydrophobicContact CD2-CD2 3.93Å; Y507-W514 AromaticContact CD2-CE2 3.57Å; Y507-W514 AromaticContact CD2-CG 3.99Å; Y507-W514 HydrophobicContact CD2-CG 3.99Å; Y507-W514 HydrophobicContact CD2-CZ2 4.11Å; Y507-W514 AromaticContact CD2-NE1 3.4Å; Y507-W514 AromaticContact CE2-NE1 3.99Å; Y507-W514 HydrophobicContact CG-CD2 4.26Å; Y507-W514 AromaticContact CG-CE2 3.93Å; Y507-W514 HydrophobicContact CG-CH2 4.49Å; Y507-W514 HydrophobicContact CG-CZ2 4.07Å
508D98.3Very high97.5Very high47 Ų4749.1 Ų49.125%0.25130%0.295SS..EExtended strand (participates in β ladder)trans-101.7113.6175.6-176.6-63.6000109.8G510 T511 N512 K513D508-G510 VanDerWaalsContact C-N 3.27Å; D508-G510 PolarHBondContact O-N 2.96Å; D508-G510 WeakPolarHBondContact OD1-CA 3.36Å; D508-G510 PolarHBondContact OD1-N 3.34Å; D508-T511 WeakPolarHBondContact CB-OG1 3.41Å; D508-T511 PolarHBondContact O-N 2.91Å; D508-T511 PolarHBondContact OD1-N 3.42Å; D508-T511 PolarHBondContact OD1-OG1 3.23Å; D508-N512 WeakPolarHBondContact O-CA 3.4Å; D508-N512 PolarHBondContact O-N 3.27Å; D508-K513 PolarHBondContact N-O 3.4Å
509F97.8Very high97.8Very high28 Ų2848.1 Ų48.112%0.12329%0.285CS..THydrogen-bonded Turntrans-64.1-29.9-177.6-66.5-83.1000113.6E437 Y442 I484 G487 L489 Y507E437-F509 HydrophobicContact CB-CE1 4.15Å; E437-F509 HydrophobicContact CB-CE2 4.3Å; E437-F509 HydrophobicContact CB-CZ 3.89Å; E437-F509 HydrophobicContact CG-CD2 4.21Å; E437-F509 HydrophobicContact CG-CE1 4.41Å; E437-F509 HydrophobicContact CG-CE2 3.91Å; E437-F509 HydrophobicContact CG-CZ 4.01Å; Y442-F509 HydrophobicContact CD1-CE1 4.31Å; Y442-F509 AromaticContact CD2-CE1 3.94Å; Y442-F509 HydrophobicContact CD2-CE1 3.94Å; Y442-F509 HydrophobicContact CE1-CD1 4.12Å; Y442-F509 AromaticContact CE1-CE1 3.96Å; Y442-F509 HydrophobicContact CE1-CE1 3.96Å; Y442-F509 HydrophobicContact CE2-CD1 4.03Å; Y442-F509 AromaticContact CE2-CE1 3.56Å; Y442-F509 HydrophobicContact CE2-CE1 3.56Å; Y442-F509 HydrophobicContact CG-CE1 4.3Å; Y442-F509 AromaticContact CZ-CD1 3.65Å; Y442-F509 AromaticContact CZ-CE1 3.58Å; I484-F509 HydrophobicContact CD1-CE2 3.76Å; I484-F509 HydrophobicContact CD1-CZ 3.52Å; G487-F509 WeakPolarHBondContact O-CD2 3.39Å; L489-F509 HydrophobicContact CB-CE2 3.84Å; L489-F509 HydrophobicContact CB-CZ 3.67Å; L489-F509 HydrophobicContact CD2-CZ 4.49Å; Y507-F509 AromaticContact CD1-CD1 3.99Å; Y507-F509 HydrophobicContact CD1-CD1 3.99Å; Y507-F509 HydrophobicContact CD1-CD2 4.47Å; Y507-F509 HydrophobicContact CD1-CE1 4.04Å; Y507-F509 HydrophobicContact CD1-CG 4.2Å; Y507-F509 HydrophobicContact CD1-CZ 4.32Å; Y507-F509 HydrophobicContact CE1-CB 4.39Å; Y507-F509 AromaticContact CE1-CD1 3.57Å; Y507-F509 HydrophobicContact CE1-CD1 3.57Å; Y507-F509 AromaticContact CE1-CE1 3.93Å; Y507-F509 HydrophobicContact CE1-CE1 3.93Å; Y507-F509 AromaticContact CE1-CG 3.98Å; Y507-F509 HydrophobicContact CE1-CG 3.98Å
510G96.4Very high98Very high78 Ų7846.9 Ų46.980%0.80427%0.272SS*.THydrogen-bonded Turntrans-75.7-37.5-17800000112.3D508D508-G510 VanDerWaalsContact C-N 3.27Å; D508-G510 PolarHBondContact O-N 2.96Å; D508-G510 WeakPolarHBondContact OD1-CA 3.36Å; D508-G510 PolarHBondContact OD1-N 3.34Å
511T97.6Very high98Very high82 Ų8248.7 Ų48.750%0.50329%0.286SS..THydrogen-bonded Turntrans-96.1-12.2-178.663.30000114.1D508 K513D508-T511 WeakPolarHBondContact CB-OG1 3.41Å; D508-T511 PolarHBondContact O-N 2.91Å; D508-T511 PolarHBondContact OD1-N 3.42Å; D508-T511 PolarHBondContact OD1-OG1 3.23Å; T511-K513 VanDerWaalsContact C-N 3.34Å
512N97.9Very high97.9Very high70 Ų7050.9 Ų50.937%0.37430%0.295SS..THydrogen-bonded Turntrans53.950.2-173.4-179.138.1000111.5A471 Y507 D508A471-N512 WeakPolarHBondContact CB-O 3.15Å; A471-N512 WeakPolarHBondContact CB-OD1 3.03Å; A471-N512 PolarHBondContact N-OD1 3Å; Y507-N512 WeakPolarHBondContact OH-CA 3.36Å; Y507-N512 PolarHBondContact OH-OD1 3.33Å; D508-N512 WeakPolarHBondContact O-CA 3.4Å; D508-N512 PolarHBondContact O-N 3.27Å
513K98.3Very high97.9Very high140 Ų14055.5 Ų55.561%0.60931%0.314SS*.EExtended strand (participates in β ladder)trans-138.6144.9-178.4-70.5-178.2-178-177.60111.7Y507 D508 T511Y507-K513 WeakPolarHBondContact CA-O 3.35Å; Y507-K513 WeakPolarHBondContact CD2-O 3.17Å; D508-K513 PolarHBondContact N-O 3.4Å; T511-K513 VanDerWaalsContact C-N 3.34Å
514W98.7Very high97.9Very high41 Ų4155.1 Ų55.116%0.15531%0.309CS..EExtended strand (participates in β ladder)trans-92.6147.9168.7-68.989.5000110.7L444 M457 A471 M473 L489 V491 E505 A506 Y507L444-W514 HydrophobicContact CD1-CH2 4.3Å; M457-W514 HydrophobicContact CE-CZ2 4.13Å; M457-W514 HydrophobicContact SD-CZ2 3.95Å; A471-W514 PolarHBondContact O-NE1 3.46Å; M473-W514 HydrophobicContact CB-CD2 4.43Å; M473-W514 HydrophobicContact CG-CD2 3.78Å; M473-W514 VanDerWaalsContact CG-CE2 3.43Å; M473-W514 HydrophobicContact CG-CE3 3.93Å; M473-W514 HydrophobicContact CG-CH2 3.44Å; M473-W514 VanDerWaalsContact CG-CH2 3.44Å; M473-W514 HydrophobicContact CG-CZ2 3.27Å; M473-W514 HydrophobicContact CG-CZ3 3.77Å; M473-W514 HydrophobicContact SD-CH2 3.84Å; M473-W514 HydrophobicContact SD-CZ2 4.12Å; M473-W514 HydrophobicContact SD-CZ3 4.29Å; L489-W514 HydrophobicContact CD2-CH2 3.99Å; L489-W514 HydrophobicContact CD2-CZ2 4.42Å; L489-W514 HydrophobicContact CG-CH2 4.24Å; V491-W514 HydrophobicContact CG1-CH2 3.88Å; V491-W514 HydrophobicContact CG1-CZ3 4.02Å; V491-W514 HydrophobicContact CG2-CH2 4.38Å; V491-W514 HydrophobicContact CG2-CZ3 3.84Å; E505-W514 HydrophobicContact CB-CE3 3.67Å; E505-W514 HydrophobicContact CB-CZ3 4.02Å; A506-W514 CarbonylContact O-C 3.5Å; A506-W514 WeakPolarHBondContact O-CA 3.44Å; Y507-W514 AromaticContact CD2-CD1 3.68Å; Y507-W514 AromaticContact CD2-CD2 3.93Å; Y507-W514 HydrophobicContact CD2-CD2 3.93Å; Y507-W514 AromaticContact CD2-CE2 3.57Å; Y507-W514 AromaticContact CD2-CG 3.99Å; Y507-W514 HydrophobicContact CD2-CG 3.99Å; Y507-W514 HydrophobicContact CD2-CZ2 4.11Å; Y507-W514 AromaticContact CD2-NE1 3.4Å; Y507-W514 AromaticContact CE2-NE1 3.99Å; Y507-W514 HydrophobicContact CG-CD2 4.26Å; Y507-W514 AromaticContact CG-CE2 3.93Å; Y507-W514 HydrophobicContact CG-CH2 4.49Å; Y507-W514 HydrophobicContact CG-CZ2 4.07Å
515S98.2Very high97.8Very high48 Ų4855.6 Ų55.634%0.33631%0.313SS..EExtended strand (participates in β ladder)trans-137.2150.3173.555.40000109.7A506A506-S515 PolarHBondContact N-O 2.96Å; A506-S515 PolarHBondContact O-N 3.4Å; A506-S515 PolarHBondContact O-OG 3.44Å
516P98Very high97.8Very high118 Ų11856.8 Ų56.877%0.76632%0.322SS*.EExtended strand (participates in β ladder)trans-58.6144.1173.1-22.633.6000111.7
517F98.3Very high97.7Very high37 Ų3756.7 Ų56.716%0.16232%0.321CS..EExtended strand (participates in β ladder)trans-120.4162.8170-167.3-97.6000109.3I490 C504 A506 E519 L536 Y563 W570I490-F517 HydrophobicContact CD1-CD2 4.16Å; I490-F517 HydrophobicContact CD1-CE2 4.15Å; I490-F517 HydrophobicContact CG2-CD1 4.08Å; I490-F517 HydrophobicContact CG2-CE1 4.14Å; I490-F517 HydrophobicContact CG2-CG 4.26Å; I490-F517 HydrophobicContact CG2-CZ 4.38Å; C504-F517 HydrophobicContact CB-CB 3.86Å; C504-F517 HydrophobicContact CB-CD1 3.82Å; C504-F517 HydrophobicContact CB-CG 4.33Å; C504-F517 PolarHBondContact O-N 3.12Å; A506-F517 HydrophobicContact CB-CB 4.36Å; A506-F517 HydrophobicContact CB-CD2 4.19Å; F517-E519 PolarHBondContact O-N 3.36Å; F517-E519 VanDerWaalsContact O-N 3.16Å; F517-L536 HydrophobicContact CE1-CD2 4.37Å; F517-L536 HydrophobicContact CZ-CD2 4.07Å; F517-Y563 HydrophobicContact CE1-CD1 4.42Å; F517-Y563 AromaticContact CE1-CD2 3.85Å; F517-Y563 HydrophobicContact CE1-CD2 3.85Å; F517-Y563 HydrophobicContact CE1-CE1 4.22Å; F517-Y563 AromaticContact CE1-CE2 3.63Å; F517-Y563 HydrophobicContact CE1-CE2 3.63Å; F517-Y563 HydrophobicContact CE1-CG 4.22Å; F517-Y563 AromaticContact CE1-CZ 3.79Å; F517-Y563 AromaticContact CE2-CE1 3.99Å; F517-Y563 HydrophobicContact CE2-CE1 3.99Å; F517-Y563 AromaticContact CE2-CZ 3.92Å; F517-Y563 AromaticContact CZ-CD1 3.72Å; F517-Y563 HydrophobicContact CZ-CD1 3.72Å; F517-Y563 AromaticContact CZ-CD2 3.95Å; F517-Y563 HydrophobicContact CZ-CD2 3.95Å; F517-Y563 AromaticContact CZ-CE1 3.37Å; F517-Y563 HydrophobicContact CZ-CE1 3.37Å; F517-Y563 AromaticContact CZ-CE2 3.64Å; F517-Y563 HydrophobicContact CZ-CE2 3.64Å; F517-Y563 AromaticContact CZ-CG 3.98Å; F517-Y563 HydrophobicContact CZ-CG 3.98Å; F517-Y563 AromaticContact CZ-CZ 3.29Å; F517-W570 HydrophobicContact CE1-CZ2 4.25Å
518T98.2Very high97.7Very high47 Ų4758.5 Ų58.529%0.28833%0.331SS..PPolyproline II helixtrans-56.6122178.2-53.50000110.2C504 Y563 K568 W570C504-T518 VanDerWaalsContact CB-O 3.26Å; C504-T518 WeakPolarHBondContact CB-O 3.4Å; C504-T518 PolarHBondContact SG-O 3.5Å; T518-Y563 HydrophobicContact CG2-CE2 4.34Å; T518-Y563 PolarHBondContact OG1-OH 3.19Å; T518-Y563 VanDerWaalsContact OG1-OH 3.13Å; T518-K568 WeakPolarHBondContact CB-O 3.26Å; T518-K568 WeakPolarHBondContact CG2-O 3.21Å; T518-K568 PolarHBondContact OG1-O 3.34Å; T518-W570 PolarHBondContact O-NE1 3.34Å
519E98Very high97.7Very high134 Ų13456.9 Ų56.963%0.62632%0.322SS*.PPolyproline II helixtrans-58.8146.2178.9-64.5-174157.100111.4F517 W570F517-E519 PolarHBondContact O-N 3.36Å; F517-E519 VanDerWaalsContact O-N 3.16Å; E519-W570 VanDerWaalsContact O-CD1 3.3Å
520F98.1Very high97.7Very high4 Ų455.7 Ų55.72%0.01832%0.318CS..PPolyproline II helixtrans-74.2143.4178-170-113000109.4A502 Q522 R524 I527 A538 W561 W570A502-F520 VanDerWaalsContact CB-O 3.31Å; A502-F520 WeakPolarHBondContact CB-O 3.49Å; A502-F520 PolarHBondContact O-N 2.85Å; F520-Q522 WeakPolarHBondContact CD1-O 3.4Å; F520-Q522 PolarHBondContact O-N 2.88Å; F520-R524 HydrophobicContact CE1-CG 4.22Å; F520-I527 HydrophobicContact CD1-CD1 4.03Å; F520-I527 HydrophobicContact CE1-CD1 4.41Å; F520-A538 HydrophobicContact CD2-CB 4.41Å; F520-A538 HydrophobicContact CE2-CB 3.76Å; F520-A538 HydrophobicContact CZ-CB 4.31Å; F520-W561 HydrophobicContact CE2-CB 3.99Å; F520-W561 HydrophobicContact CE2-CD2 4.23Å; F520-W561 AromaticContact CE2-CG 3.85Å; F520-W561 HydrophobicContact CE2-CG 3.85Å; F520-W561 HydrophobicContact CZ-CB 4.43Å; F520-W561 AromaticContact CZ-CD1 3.73Å; F520-W561 HydrophobicContact CZ-CD2 4.24Å; F520-W561 AromaticContact CZ-CG 3.89Å; F520-W561 HydrophobicContact CZ-CG 3.89Å; F520-W561 AromaticContact CZ-NE1 3.99Å; F520-W570 AromaticContact CD2-CD2 3.85Å; F520-W570 HydrophobicContact CD2-CD2 3.85Å; F520-W570 AromaticContact CD2-CE2 3.9Å; F520-W570 HydrophobicContact CD2-CE3 4.28Å; F520-W570 HydrophobicContact CD2-CG 4.07Å; F520-W570 HydrophobicContact CD2-CZ2 4.37Å; F520-W570 HydrophobicContact CE2-CD2 4.2Å; F520-W570 HydrophobicContact CE2-CE3 4.21Å
521P96.8Very high97.8Very high75 Ų7553.6 Ų53.649%0.48729%0.29SS..SBendtrans-64.5-11.1-171.1-28.639.6000116.3W561 W570P521-W561 HydrophobicContact CB-CH2 3.95Å; P521-W561 HydrophobicContact CB-CZ3 4.11Å; P521-W561 HydrophobicContact CG-CE3 4Å; P521-W561 HydrophobicContact CG-CH2 3.96Å; P521-W561 HydrophobicContact CG-CZ3 3.59Å; P521-W570 HydrophobicContact CG-CB 3.64Å; P521-W570 HydrophobicContact CG-CG 4.34Å
522Q95.8Very high97.8Very high66 Ų6650 Ų5031%0.30827%0.269SS..SBendtrans-144.3142.9179.9-172.8179.736.200110.2F520 R524 A543F520-Q522 WeakPolarHBondContact CD1-O 3.4Å; F520-Q522 PolarHBondContact O-N 2.88Å; Q522-R524 HydrophobicContact CB-CG 4.45Å; Q522-R524 HydrophobicContact CG-CG 4.38Å; Q522-R524 PolarHBondContact O-N 3.36Å; Q522-R524 VanDerWaalsContact OE1-CZ 3.28Å; Q522-A543 HydrophobicContact CG-CB 4.24Å
523E97.4Very high97.6Very high111 Ų11148.4 Ų48.452%0.51927%0.268SS..  trans-69.2126.3173.5-58178.5165.500110.6L500 A502L500-E523 HydrophobicContact CB-CB 3.67Å; A502-E523 HydrophobicContact CB-CG 3.91Å
524R97Very high97.5Very high4 Ų443.7 Ų43.72%0.01526%0.26CS..  trans-146.5150.1-176.2-64.4-166.7-174168.71.7113G494 T501 F520 Q522 I527 G540 F542 A543 D559G494-R524 PolarHBondContact N-O 3.36Å; T501-R524 PolarHBondContact O-N 2.86Å; F520-R524 HydrophobicContact CE1-CG 4.22Å; Q522-R524 HydrophobicContact CB-CG 4.45Å; Q522-R524 HydrophobicContact CG-CG 4.38Å; Q522-R524 PolarHBondContact O-N 3.36Å; Q522-R524 VanDerWaalsContact OE1-CZ 3.28Å; R524-I527 HydrophobicContact CB-CD1 3.61Å; R524-I527 HydrophobicContact CB-CG1 3.52Å; R524-I527 HydrophobicContact CG-CG1 4.5Å; R524-G540 PolarHBondContact NH1-O 2.97Å; R524-F542 VanDerWaalsContact CA-O 3.27Å; R524-F542 WeakPolarHBondContact CA-O 3.42Å; R524-A543 HydrophobicContact CG-CB 3.98Å; R524-D559 IonicContact CZ-OD1 2.88Å; R524-D559 IonicContact CZ-OD2 3.38Å; R524-D559 IonicContact NH1-OD1 3.61Å; R524-D559 PolarHBondContact NH1-OD1 3.29Å; R524-D559 IonicContact NH1-OD2 3.19Å; R524-D559 PolarHBondContact NH1-OD2 2.87Å; R524-D559 IonicContact NH2-OD1 2.66Å; R524-D559 PolarHBondContact NH2-OD1 2.97Å; R524-D559 IonicContact NH2-OD2 2.69Å; R524-D559 PolarHBondContact NH2-OD2 3.16Å
525S97.8Very high97.4Very high16 Ų1644 Ų4411%0.11226%0.264CS..BIsolated β-bridgetrans-106.9162.4164.963.80000111.2M479 I527 G541 F542M479-S525 CarbonylContact O-C 3.51Å; M479-S525 WeakPolarHBondContact O-CA 3.38Å; S525-I527 PolarHBondContact O-N 2.79Å; S525-I527 VanDerWaalsContact O-N 3.15Å; S525-G541 CarbonylContact O-C 3.39Å; S525-G541 WeakPolarHBondContact O-CA 3.42Å; S525-F542 PolarHBondContact N-O 2.94Å; S525-F542 PolarHBondContact O-N 3.29Å
526S97.3Very high97.4Very high36 Ų3641.8 Ų41.825%0.25225%0.248SC..SBendtrans5234.6178.6-50.40000114.1M479 N528M479-S526 WeakPolarHBondContact CE-OG 3.3Å; M479-S526 PolarHBondContact O-N 3.19Å; S526-N528 PolarHBondContact O-N 2.85Å
527I97.7Very high97.5Very high4 Ų436.4 Ų36.42%0.02121%0.213CC..  trans-65.8128.6174.3-58166000108.5G481 A492 F520 R524 S525 M529 A538G481-I527 WeakPolarHBondContact CA-O 3.28Å; G481-I527 PolarHBondContact N-O 3.33Å; A492-I527 HydrophobicContact CB-CD1 4.43Å; F520-I527 HydrophobicContact CD1-CD1 4.03Å; F520-I527 HydrophobicContact CE1-CD1 4.41Å; R524-I527 HydrophobicContact CB-CD1 3.61Å; R524-I527 HydrophobicContact CB-CG1 3.52Å; R524-I527 HydrophobicContact CG-CG1 4.5Å; S525-I527 PolarHBondContact O-N 2.79Å; S525-I527 VanDerWaalsContact O-N 3.15Å; I527-M529 HydrophobicContact CG2-CG 4.33Å; I527-M529 HydrophobicContact CG2-SD 4.07Å; I527-M529 PolarHBondContact O-N 3.39Å; I527-A538 HydrophobicContact CG2-CB 3.84Å
528N98.2Very high97.5Very high42 Ų4234.6 Ų34.623%0.22521%0.205CC..EExtended strand (participates in β ladder)trans-84.8110.7170.5-71.1-80.1000109.6S526 A538 V539 A583 C585S526-N528 PolarHBondContact O-N 2.85Å; N528-A538 CarbonylContact O-C 3.58Å; N528-A538 WeakPolarHBondContact O-CA 3.4Å; N528-V539 HydrophobicContact CB-CB 4.16Å; N528-V539 WeakPolarHBondContact CB-O 3.32Å; N528-V539 PolarHBondContact N-O 2.93Å; N528-V539 PolarHBondContact O-N 3Å; N528-A583 PolarHBondContact ND2-O 3.49Å; N528-A583 VanDerWaalsContact ND2-O 3.14Å; N528-C585 HydrophobicContact CB-CB 3.78Å; N528-C585 PolarHBondContact OD1-N 2.99Å
529M98.4Very high97.5Very high13 Ų1332.4 Ų32.46%0.06419%0.191CC..EExtended strand (participates in β ladder)trans-93.5127.1174.8-65.9-70.3-64.300109.9V483 I490 A492 I527 L536 Y537 A538 W570V483-M529 HydrophobicContact CB-CB 3.86Å; V483-M529 HydrophobicContact CG1-CB 3.71Å; V483-M529 HydrophobicContact CG1-CE 4.38Å; I490-M529 HydrophobicContact CG2-CE 4.29Å; A492-M529 HydrophobicContact CB-CE 4.09Å; A492-M529 HydrophobicContact CB-CG 4.06Å; A492-M529 HydrophobicContact CB-SD 3.58Å; A492-M529 VanDerWaalsContact CB-SD 3.58Å; I527-M529 HydrophobicContact CG2-CG 4.33Å; I527-M529 HydrophobicContact CG2-SD 4.07Å; I527-M529 PolarHBondContact O-N 3.39Å; M529-L536 HydrophobicContact CE-CD1 3.81Å; M529-L536 HydrophobicContact CE-CD2 4.15Å; M529-L536 HydrophobicContact CE-CG 4.13Å; M529-Y537 WeakPolarHBondContact CA-O 3.45Å; M529-A538 HydrophobicContact SD-CB 3.77Å; M529-W570 HydrophobicContact CE-CH2 3.57Å; M529-W570 HydrophobicContact CE-CZ2 3.94Å; M529-W570 HydrophobicContact SD-CH2 4.05Å
530V98.3Very high97.4Very high4 Ų426.1 Ų26.12%0.02416%0.163CC..EExtended strand (participates in β ladder)trans-133.1129-175.5-173.30000110.3I298 C532 Y537 C585I298-V530 HydrophobicContact CG1-CG1 4.18Å; I298-V530 HydrophobicContact CG2-CG1 4.34Å; I298-V530 HydrophobicContact CG2-CG2 4.29Å; V530-C532 HydrophobicContact CG1-CB 4.21Å; V530-Y537 PolarHBondContact N-O 2.8Å; V530-Y537 PolarHBondContact O-N 3.07Å; V530-C585 HydrophobicContact CG2-CB 3.65Å
531S97.9Very high97.4Very high33 Ų3326.2 Ų26.223%0.23117%0.165CC..EExtended strand (participates in β ladder)trans-101.9107.8171176.20000108.2I484 H485 L535 S587I484-S531 WeakPolarHBondContact O-CB 3.36Å; H485-S531 PolarHBondContact ND1-OG 3.31Å; S531-L535 CarbonylContact C-O 3.56Å; S531-L535 WeakPolarHBondContact CA-O 3.39Å; S531-S587 VanDerWaalsContact O-CB 3.26Å; S531-S587 WeakPolarHBondContact O-CB 3.32Å; S531-S587 PolarHBondContact O-OG 3.07Å
532C97.6Very high97.4Very high8 Ų826.3 Ų26.35%0.05416%0.158CC..EExtended strand (participates in β ladder)trans-132.9130.7-172.7-170.90000110.2V297 I298 V530 G534 L535 Y537 S587V297-C532 PolarHBondContact N-SG 2.7Å; V297-C532 VanDerWaalsContact N-SG 3.39Å; I298-C532 HydrophobicContact CG1-CB 3.96Å; V530-C532 HydrophobicContact CG1-CB 4.21Å; C532-G534 PolarHBondContact O-N 2.92Å; C532-L535 PolarHBondContact N-O 2.82Å; C532-L535 PolarHBondContact O-N 2.94Å; C532-Y537 HydrophobicContact CB-CD2 4.17Å; C532-Y537 HydrophobicContact CB-CE2 4.04Å; C532-S587 WeakPolarHBondContact CA-OG 3.47Å; C532-S587 WeakPolarHBondContact CB-OG 3.47Å; C532-S587 PolarHBondContact SG-OG 3.36Å; C532-S587 VanDerWaalsContact SG-OG 3.33Å
533G94.1Very high97.4Very high35 Ų3523.2 Ų23.236%0.36114%0.143SC..THydrogen-bonded Turntrans57.824.6178.700000114.9L535G533-L535 VanDerWaalsContact C-N 3.3Å; G533-L535 PolarHBondContact O-N 3.08Å
534G95.2Very high97.2Very high42 Ų4222.2 Ų22.243%0.43314%0.14SC..THydrogen-bonded Turntrans80.64.1-175.300000115.3H485 K486 C532H485-G534 PolarHBondContact CE1-O 3.32Å; H485-G534 VanDerWaalsContact CE1-O 3.31Å; K486-G534 WeakPolarHBondContact CE-O 3.25Å; C532-G534 PolarHBondContact O-N 2.92Å
535L97.6Very high96.9Very high47 Ų4724.4 Ų24.425%0.24615%0.153CC..EExtended strand (participates in β ladder)trans-106.5156.2175.4-59.7172.8000110.4Q312 H485 S531 C532 G533 Y537Q312-L535 HydrophobicContact CG-CD1 4.45Å; H485-L535 VanDerWaalsContact CE1-C 3.48Å; S531-L535 CarbonylContact C-O 3.56Å; S531-L535 WeakPolarHBondContact CA-O 3.39Å; C532-L535 PolarHBondContact N-O 2.82Å; C532-L535 PolarHBondContact O-N 2.94Å; G533-L535 VanDerWaalsContact C-N 3.3Å; G533-L535 PolarHBondContact O-N 3.08Å; L535-Y537 HydrophobicContact CB-CD2 4.39Å; L535-Y537 HydrophobicContact CB-CE2 3.56Å; L535-Y537 WeakPolarHBondContact CD1-OH 3.01Å
536L98.5Very high96.5Very high1 Ų129.6 Ų29.61%0.00518%0.176CC..EExtended strand (participates in β ladder)trans-112.9125.9-179.2176.964.3000109.7V483 H485 I490 F517 M529 Q562 Y563 W570V483-L536 HydrophobicContact CG1-CD1 3.51Å; H485-L536 HydrophobicContact CB-CD1 4.16Å; I490-L536 HydrophobicContact CG2-CD2 4.38Å; F517-L536 HydrophobicContact CE1-CD2 4.37Å; F517-L536 HydrophobicContact CZ-CD2 4.07Å; M529-L536 HydrophobicContact CE-CD1 3.81Å; M529-L536 HydrophobicContact CE-CD2 4.15Å; M529-L536 HydrophobicContact CE-CG 4.13Å; L536-Q562 WeakPolarHBondContact O-CA 3.47Å; L536-Y563 HydrophobicContact CD2-CD1 4.39Å; L536-Y563 HydrophobicContact CD2-CG 4.3Å; L536-Y563 PolarHBondContact O-N 2.98Å; L536-W570 HydrophobicContact CD2-CH2 4.18Å; L536-W570 HydrophobicContact CG-CH2 4.14Å
537Y98.5Very high95.8Very high5 Ų531.4 Ų31.42%0.0218%0.183CC..EExtended strand (participates in β ladder)trans-121.3149.4-177.5-60.2-88.6000111.6I298 M529 V530 C532 L535 I560 W561 Q562 M573I298-Y537 HydrophobicContact CD1-CD1 4.04Å; I298-Y537 HydrophobicContact CD1-CD2 3.67Å; I298-Y537 HydrophobicContact CD1-CE2 4.16Å; I298-Y537 HydrophobicContact CD1-CG 3.59Å; I298-Y537 HydrophobicContact CG1-CD2 4.48Å; M529-Y537 WeakPolarHBondContact CA-O 3.45Å; V530-Y537 PolarHBondContact N-O 2.8Å; V530-Y537 PolarHBondContact O-N 3.07Å; C532-Y537 HydrophobicContact CB-CD2 4.17Å; C532-Y537 HydrophobicContact CB-CE2 4.04Å; L535-Y537 HydrophobicContact CB-CD2 4.39Å; L535-Y537 HydrophobicContact CB-CE2 3.56Å; L535-Y537 WeakPolarHBondContact CD1-OH 3.01Å; Y537-I560 HydrophobicContact CD1-CG2 4.11Å; Y537-W561 CarbonylContact C-O 3.57Å; Y537-W561 WeakPolarHBondContact CA-O 3.44Å; Y537-Q562 HydrophobicContact CD1-CB 4.03Å; Y537-Q562 HydrophobicContact CE1-CB 4Å; Y537-Q562 HydrophobicContact CE1-CG 4.25Å; Y537-M573 HydrophobicContact CD1-SD 4.1Å; Y537-M573 HydrophobicContact CE1-SD 3.61Å
538A98.4Very high95.1Very high0 Ų040.7 Ų40.70%023%0.226CC..EExtended strand (participates in β ladder)trans-121125.1165.900000108.4F520 I527 N528 M529 W561 W570F520-A538 HydrophobicContact CD2-CB 4.41Å; F520-A538 HydrophobicContact CE2-CB 3.76Å; F520-A538 HydrophobicContact CZ-CB 4.31Å; I527-A538 HydrophobicContact CG2-CB 3.84Å; N528-A538 CarbonylContact O-C 3.58Å; N528-A538 WeakPolarHBondContact O-CA 3.4Å; M529-A538 HydrophobicContact SD-CB 3.77Å; A538-W561 HydrophobicContact CB-CB 4.33Å; A538-W561 PolarHBondContact N-O 3.13Å; A538-W561 PolarHBondContact O-N 3.1Å; A538-W570 HydrophobicContact CB-CE3 4.44Å; A538-W570 HydrophobicContact CB-CH2 3.92Å; A538-W570 HydrophobicContact CB-CZ3 3.69Å
539V98.4Very high94.6Very high0 Ų044.7 Ų44.70%025%0.247CC..EExtended strand (participates in β ladder)trans-118.4118.2-176.7-177.50000109.4N528 I560 A580N528-V539 HydrophobicContact CB-CB 4.16Å; N528-V539 WeakPolarHBondContact CB-O 3.32Å; N528-V539 PolarHBondContact N-O 2.93Å; N528-V539 PolarHBondContact O-N 3Å; V539-I560 HydrophobicContact CG1-CG1 4.21Å; V539-I560 HydrophobicContact CG2-CD1 4.41Å; V539-I560 HydrophobicContact CG2-CG1 4.2Å; V539-I560 HydrophobicContact CG2-CG2 4.27Å; V539-A580 HydrophobicContact CG1-CB 3.72Å
540G97.3Very high93.9Very high3 Ų352.2 Ų52.23%0.03128%0.28CS..EExtended strand (participates in β ladder)trans58.9-138.1171.800000116.4R524 V557 D559R524-G540 PolarHBondContact NH1-O 2.97Å; G540-V557 CarbonylContact C-O 3.58Å; G540-V557 WeakPolarHBondContact CA-O 3.47Å; G540-D559 PolarHBondContact N-O 2.95Å
541G97.1Very high93.4Very high5 Ų558.2 Ų58.25%0.05231%0.307CS..EExtended strand (participates in β ladder)trans106.5-178.5-174.500000112.8S525 V557S525-G541 CarbonylContact O-C 3.39Å; S525-G541 WeakPolarHBondContact O-CA 3.42Å; G541-V557 PolarHBondContact N-O 3.11Å; G541-V557 PolarHBondContact O-N 2.74Å
542F97.3Very high92.8Very high78 Ų7860.3 Ų60.334%0.34232%0.321SS..EExtended strand (participates in β ladder)trans-108.5126178.5-64.6-97.9000110.4R524 S525 T555 E556R524-F542 VanDerWaalsContact CA-O 3.27Å; R524-F542 WeakPolarHBondContact CA-O 3.42Å; S525-F542 PolarHBondContact N-O 2.94Å; S525-F542 PolarHBondContact O-N 3.29Å; F542-T555 WeakPolarHBondContact CA-O 3.33Å; F542-E556 HydrophobicContact CD1-CB 4.05Å; F542-E556 HydrophobicContact CE1-CB 3.68Å; F542-E556 HydrophobicContact CE1-CG 4.24Å; F542-E556 HydrophobicContact CZ-CB 4.12Å; F542-E556 HydrophobicContact CZ-CG 4.19Å
543A96.3Very high92.4Very high0 Ų061.3 Ų61.30%033%0.33CS..EExtended strand (participates in β ladder)trans-121.7159.7177.300000110.4Q522 R524 V545 P554 T555 V557Q522-A543 HydrophobicContact CG-CB 4.24Å; R524-A543 HydrophobicContact CG-CB 3.98Å; A543-V545 HydrophobicContact CB-CG2 4.33Å; A543-V545 PolarHBondContact O-N 2.9Å; A543-P554 WeakPolarHBondContact O-CA 3.27Å; A543-T555 PolarHBondContact N-O 3.2Å; A543-T555 PolarHBondContact O-N 3.24Å; A543-V557 HydrophobicContact CB-CG2 3.84Å
544M93Very high92.2Very high91 Ų9164.3 Ų64.345%0.44834%0.343SS..EExtended strand (participates in β ladder)trans-78.1115166.8-66.9-59-7400108.7L500 C552 P554L500-M544 HydrophobicContact CD1-CG 3.85Å; M544-C552 HydrophobicContact CE-CB 4.3Å; M544-C552 WeakPolarHBondContact CE-O 3.29Å; M544-P554 HydrophobicContact SD-CB 4.19Å; M544-P554 HydrophobicContact SD-CG 3.67Å
545V89.8Confident92.2Very high49 Ų4964.7 Ų64.730%0.29734%0.337SS..EExtended strand (participates in β ladder)trans-118.6138-178.8-177.50000109.1A543 C552 A553 V557A543-V545 HydrophobicContact CB-CG2 4.33Å; A543-V545 PolarHBondContact O-N 2.9Å; V545-C552 WeakPolarHBondContact O-CA 3.39Å; V545-A553 PolarHBondContact N-O 2.78Å; V545-A553 PolarHBondContact O-N 3.44Å; V545-V557 HydrophobicContact CG2-CG2 4.41Å
546E89.1Confident92.1Very high126 Ų12666 Ų6659%0.58934%0.342SS*.EExtended strand (participates in β ladder)trans-81.6120.1174.8-171.4178.5166.300109.8K550E546-K550 HydrophobicContact CG-CB 4.45Å; E546-K550 WeakPolarHBondContact OE1-CA 3.38Å; E546-K550 VanDerWaalsContact OE1-CB 3.27Å; E546-K550 WeakPolarHBondContact OE1-CB 3.49Å; E546-K550 WeakPolarHBondContact OE1-CG 3.42Å
547N82.2Confident92Very high74 Ų7467.2 Ų67.240%0.39635%0.349SS..  trans-81.6172.8179.2-63.8-2000110.9N549 K550 E551N547-N549 PolarHBondContact O-N 3.4Å; N547-K550 WeakPolarHBondContact O-CA 3.34Å; N547-K550 PolarHBondContact O-N 3.26Å; N547-E551 PolarHBondContact N-O 3.38Å
548E84.8Confident92Very high198 Ų19868.7 Ų68.793%0.92536%0.357SS*.THydrogen-bonded Turntrans-54.8-27.3179-62.7-174.2164.600113.7K550E548-K550 VanDerWaalsContact C-N 3.26Å; E548-K550 PolarHBondContact O-N 2.9Å
549N86.2Confident91.9Very high127 Ų12769.4 Ų69.468%0.67936%0.361SS*.THydrogen-bonded Turntrans-82.15.8176.5-65.3-20.7000114.2N547 E551N547-N549 PolarHBondContact O-N 3.4Å; N549-E551 HydrophobicContact CB-CG 4.34Å; N549-E551 PolarHBondContact O-N 2.86Å
550K84.1Confident91.9Very high171 Ų17169.4 Ų69.474%0.74336%0.361SS*.SBendtrans62.220-172.1-52.2-172.1178-177.50114.9E546 N547 E548E546-K550 HydrophobicContact CG-CB 4.45Å; E546-K550 WeakPolarHBondContact OE1-CA 3.38Å; E546-K550 VanDerWaalsContact OE1-CB 3.27Å; E546-K550 WeakPolarHBondContact OE1-CB 3.49Å; E546-K550 WeakPolarHBondContact OE1-CG 3.42Å; N547-K550 WeakPolarHBondContact O-CA 3.34Å; N547-K550 PolarHBondContact O-N 3.26Å; E548-K550 VanDerWaalsContact C-N 3.26Å; E548-K550 PolarHBondContact O-N 2.9Å
551E87.8Confident92Very high129 Ų12971.7 Ų71.760%0.60337%0.369SS*.  trans-91.2133.2174.1-68.2-179163.600109.4N547 N549N547-E551 PolarHBondContact N-O 3.38Å; N549-E551 HydrophobicContact CB-CG 4.34Å; N549-E551 PolarHBondContact O-N 2.86Å
552C86.4Confident92Very high77 Ų7772.5 Ų72.552%0.5237%0.371SS..EExtended strand (participates in β ladder)trans-94.1117.1179.8-156.80000110M544 V545M544-C552 HydrophobicContact CE-CB 4.3Å; M544-C552 WeakPolarHBondContact CE-O 3.29Å; V545-C552 WeakPolarHBondContact O-CA 3.39Å
553A88.8Confident92.1Very high29 Ų2969.1 Ų69.124%0.2436%0.356CS..EExtended strand (participates in β ladder)trans-129.7146.9-177.200000111.7V545 T555V545-A553 PolarHBondContact N-O 2.78Å; V545-A553 PolarHBondContact O-N 3.44Å; A553-T555 PolarHBondContact O-N 2.93Å; A553-T555 VanDerWaalsContact O-N 3.16Å; A553-T555 PolarHBondContact O-OG1 3.23Å; A553-T555 VanDerWaalsContact O-OG1 3.13Å
554P90.1Very high92.1Very high98 Ų9872.2 Ų72.264%0.63637%0.371SS*.EExtended strand (participates in β ladder)trans-60.5118.2170.2-1728.3000109.7A543 M544A543-P554 WeakPolarHBondContact O-CA 3.27Å; M544-P554 HydrophobicContact SD-CB 4.19Å; M544-P554 HydrophobicContact SD-CG 3.67Å
555T94.8Very high92.2Very high51 Ų5171.1 Ų71.131%0.31336%0.364SS..EExtended strand (participates in β ladder)trans-129.6138.2-176.7-54.60000109F542 A543 A553 V557F542-T555 WeakPolarHBondContact CA-O 3.33Å; A543-T555 PolarHBondContact N-O 3.2Å; A543-T555 PolarHBondContact O-N 3.24Å; A553-T555 PolarHBondContact O-N 2.93Å; A553-T555 VanDerWaalsContact O-N 3.16Å; A553-T555 PolarHBondContact O-OG1 3.23Å; A553-T555 VanDerWaalsContact O-OG1 3.13Å; T555-V557 PolarHBondContact O-N 3.16Å
556E95.8Very high92.4Very high74 Ų7476.9 Ų76.935%0.34639%0.394SS..EExtended strand (participates in β ladder)trans-68.4124.3172.5-171.3174.6-151.100109.3F542 I558 G582F542-E556 HydrophobicContact CD1-CB 4.05Å; F542-E556 HydrophobicContact CE1-CB 3.68Å; F542-E556 HydrophobicContact CE1-CG 4.24Å; F542-E556 HydrophobicContact CZ-CB 4.12Å; F542-E556 HydrophobicContact CZ-CG 4.19Å; E556-I558 HydrophobicContact CG-CG2 4.17Å; E556-G582 PolarHBondContact OE1-N 3.35Å
557V96.8Very high92.8Very high26 Ų2673.9 Ų73.916%0.15839%0.387CS..EExtended strand (participates in β ladder)trans-101.6139.7170.7-169.50000107G540 G541 A543 V545 T555 D559G540-V557 CarbonylContact C-O 3.58Å; G540-V557 WeakPolarHBondContact CA-O 3.47Å; G541-V557 PolarHBondContact N-O 3.11Å; G541-V557 PolarHBondContact O-N 2.74Å; A543-V557 HydrophobicContact CB-CG2 3.84Å; V545-V557 HydrophobicContact CG2-CG2 4.41Å; T555-V557 PolarHBondContact O-N 3.16Å; V557-D559 HydrophobicContact CG1-CB 4.16Å
558I97.3Very high93.5Very high37 Ų3777.1 Ų77.119%0.1940%0.397CS..EExtended strand (participates in β ladder)trans-122.931.2-173.654.3164.9000111.3E556 E576 M577 A580 A581E556-I558 HydrophobicContact CG-CG2 4.17Å; I558-E576 HydrophobicContact CD1-CB 4.41Å; I558-M577 WeakPolarHBondContact O-CA 3.45Å; I558-M577 VanDerWaalsContact O-CB 3.32Å; I558-M577 WeakPolarHBondContact O-CB 3.49Å; I558-M577 PolarHBondContact O-N 3.15Å; I558-A580 HydrophobicContact CB-CB 4.21Å; I558-A580 HydrophobicContact CG2-CB 4.42Å; I558-A581 HydrophobicContact CG2-CB 3.97Å
559D97.8Very high94.1Very high15 Ų1572.9 Ų72.98%0.0838%0.377CS..EExtended strand (participates in β ladder)trans-84.5166.317861.63.3000111.7R524 G540 V557 W561 I574 R575R524-D559 IonicContact CZ-OD1 2.88Å; R524-D559 IonicContact CZ-OD2 3.38Å; R524-D559 IonicContact NH1-OD1 3.61Å; R524-D559 PolarHBondContact NH1-OD1 3.29Å; R524-D559 IonicContact NH1-OD2 3.19Å; R524-D559 PolarHBondContact NH1-OD2 2.87Å; R524-D559 IonicContact NH2-OD1 2.66Å; R524-D559 PolarHBondContact NH2-OD1 2.97Å; R524-D559 IonicContact NH2-OD2 2.69Å; R524-D559 PolarHBondContact NH2-OD2 3.16Å; G540-D559 PolarHBondContact N-O 2.95Å; V557-D559 HydrophobicContact CG1-CB 4.16Å; D559-W561 VanDerWaalsContact CG-NE1 3.26Å; D559-W561 PolarHBondContact OD2-NE1 3.47Å; D559-I574 CarbonylContact C-O 3.58Å; D559-I574 WeakPolarHBondContact CA-O 3.26Å; D559-I574 WeakPolarHBondContact CB-O 3.49Å; D559-R575 WeakPolarHBondContact CB-O 3.2Å
560I98.3Very high94.7Very high0 Ų067.7 Ų67.70%035%0.348CS..EExtended strand (participates in β ladder)trans-124.7128.3173.6-55.8-171.5000108.5Y309 Y537 V539 M573 I574 M577Y309-I560 HydrophobicContact CD1-CD1 3.8Å; Y309-I560 HydrophobicContact CE1-CD1 3.7Å; Y537-I560 HydrophobicContact CD1-CG2 4.11Å; V539-I560 HydrophobicContact CG1-CG1 4.21Å; V539-I560 HydrophobicContact CG2-CD1 4.41Å; V539-I560 HydrophobicContact CG2-CG1 4.2Å; V539-I560 HydrophobicContact CG2-CG2 4.27Å; I560-M573 WeakPolarHBondContact O-CB 3.05Å; I560-M573 PolarHBondContact O-N 2.94Å; I560-I574 HydrophobicContact CB-CB 4.15Å; I560-I574 HydrophobicContact CD1-CD1 4.26Å; I560-I574 HydrophobicContact CG1-CB 4.41Å; I560-I574 PolarHBondContact N-O 3.43Å; I560-I574 PolarHBondContact O-N 3.07Å; I560-I574 VanDerWaalsContact O-N 3.11Å; I560-M577 HydrophobicContact CD1-CB 4.15Å; I560-M577 HydrophobicContact CD1-CE 3.75Å; I560-M577 HydrophobicContact CD1-CG 4.08Å; I560-M577 HydrophobicContact CG1-CB 4.2Å
561W98.3Very high95.3Very high51 Ų5161.9 Ų61.919%0.19333%0.329CS..EExtended strand (participates in β ladder)trans-116146.4174.1-66.772.7000110F520 P521 Y537 A538 D559 W570 S571 G572F520-W561 HydrophobicContact CE2-CB 3.99Å; F520-W561 HydrophobicContact CE2-CD2 4.23Å; F520-W561 AromaticContact CE2-CG 3.85Å; F520-W561 HydrophobicContact CE2-CG 3.85Å; F520-W561 HydrophobicContact CZ-CB 4.43Å; F520-W561 AromaticContact CZ-CD1 3.73Å; F520-W561 HydrophobicContact CZ-CD2 4.24Å; F520-W561 AromaticContact CZ-CG 3.89Å; F520-W561 HydrophobicContact CZ-CG 3.89Å; F520-W561 AromaticContact CZ-NE1 3.99Å; P521-W561 HydrophobicContact CB-CH2 3.95Å; P521-W561 HydrophobicContact CB-CZ3 4.11Å; P521-W561 HydrophobicContact CG-CE3 4Å; P521-W561 HydrophobicContact CG-CH2 3.96Å; P521-W561 HydrophobicContact CG-CZ3 3.59Å; Y537-W561 CarbonylContact C-O 3.57Å; Y537-W561 WeakPolarHBondContact CA-O 3.44Å; A538-W561 HydrophobicContact CB-CB 4.33Å; A538-W561 PolarHBondContact N-O 3.13Å; A538-W561 PolarHBondContact O-N 3.1Å; D559-W561 VanDerWaalsContact CG-NE1 3.26Å; D559-W561 PolarHBondContact OD2-NE1 3.47Å; W561-W570 HydrophobicContact CB-CE3 3.96Å; W561-W570 HydrophobicContact CB-CZ3 4.41Å; W561-W570 HydrophobicContact CE3-CB 3.93Å; W561-W570 HydrophobicContact CZ3-CB 4.44Å; W561-S571 CarbonylContact C-O 3.58Å; W561-S571 WeakPolarHBondContact CA-O 3.47Å; W561-S571 VanDerWaalsContact CE3-C 3.42Å; W561-G572 VanDerWaalsContact CE3-CA 3.48Å
562Q97.9Very high95.7Very high21 Ų2157.9 Ų57.910%0.09832%0.323CS..EExtended strand (participates in β ladder)trans-116.6140.1171.2170.7178.6-35.200109.7L536 Y537 E564 S571 M573L536-Q562 WeakPolarHBondContact O-CA 3.47Å; Y537-Q562 HydrophobicContact CD1-CB 4.03Å; Y537-Q562 HydrophobicContact CE1-CB 4Å; Y537-Q562 HydrophobicContact CE1-CG 4.25Å; Q562-E564 PolarHBondContact NE2-OE1 3.05Å; Q562-S571 PolarHBondContact N-O 3.06Å; Q562-S571 PolarHBondContact O-N 3.35Å; Q562-M573 HydrophobicContact CB-CG 3.83Å; Q562-M573 HydrophobicContact CB-SD 3.42Å; Q562-M573 WeakPolarHBondContact CB-SD 3.5Å; Q562-M573 HydrophobicContact CG-SD 4.36Å; Q562-M573 PolarHBondContact OE1-SD 3.43Å
563Y98.3Very high96.1Very high8 Ų857.6 Ų57.63%0.03132%0.315CS..EExtended strand (participates in β ladder)trans-85.8121.3170.8-175.6-105.4000110.5F517 T518 L536 E565 K568 W570F517-Y563 HydrophobicContact CE1-CD1 4.42Å; F517-Y563 AromaticContact CE1-CD2 3.85Å; F517-Y563 HydrophobicContact CE1-CD2 3.85Å; F517-Y563 HydrophobicContact CE1-CE1 4.22Å; F517-Y563 AromaticContact CE1-CE2 3.63Å; F517-Y563 HydrophobicContact CE1-CE2 3.63Å; F517-Y563 HydrophobicContact CE1-CG 4.22Å; F517-Y563 AromaticContact CE1-CZ 3.79Å; F517-Y563 AromaticContact CE2-CE1 3.99Å; F517-Y563 HydrophobicContact CE2-CE1 3.99Å; F517-Y563 AromaticContact CE2-CZ 3.92Å; F517-Y563 AromaticContact CZ-CD1 3.72Å; F517-Y563 HydrophobicContact CZ-CD1 3.72Å; F517-Y563 AromaticContact CZ-CD2 3.95Å; F517-Y563 HydrophobicContact CZ-CD2 3.95Å; F517-Y563 AromaticContact CZ-CE1 3.37Å; F517-Y563 HydrophobicContact CZ-CE1 3.37Å; F517-Y563 AromaticContact CZ-CE2 3.64Å; F517-Y563 HydrophobicContact CZ-CE2 3.64Å; F517-Y563 AromaticContact CZ-CG 3.98Å; F517-Y563 HydrophobicContact CZ-CG 3.98Å; F517-Y563 AromaticContact CZ-CZ 3.29Å; T518-Y563 HydrophobicContact CG2-CE2 4.34Å; T518-Y563 PolarHBondContact OG1-OH 3.19Å; T518-Y563 VanDerWaalsContact OG1-OH 3.13Å; L536-Y563 HydrophobicContact CD2-CD1 4.39Å; L536-Y563 HydrophobicContact CD2-CG 4.3Å; L536-Y563 PolarHBondContact O-N 2.98Å; Y563-E565 HydrophobicContact CD1-CG 4.06Å; Y563-E565 HydrophobicContact CE1-CG 4.26Å; Y563-E565 WeakPolarHBondContact CE1-OE2 3.28Å; Y563-K568 VanDerWaalsContact OH-CA 3.28Å; Y563-K568 WeakPolarHBondContact OH-CA 3.38Å; Y563-K568 WeakPolarHBondContact OH-CB 3.5Å; Y563-W570 HydrophobicContact CD2-CD2 4.05Å; Y563-W570 AromaticContact CD2-CE2 3.92Å; Y563-W570 HydrophobicContact CD2-CG 4.27Å; Y563-W570 HydrophobicContact CD2-CZ2 4.37Å
564E97.2Very high96.5Very high64 Ų6457.6 Ų57.630%0.29931%0.31SS..EExtended strand (participates in β ladder)trans-89.3104.7177.2-62.2-62.4171.100110.1Q562 D566 S567 K568 Q569Q562-E564 PolarHBondContact NE2-OE1 3.05Å; E564-D566 PolarHBondContact O-N 3.03Å; E564-S567 VanDerWaalsContact CB-OG 3.27Å; E564-S567 WeakPolarHBondContact CB-OG 3.18Å; E564-S567 PolarHBondContact O-N 3.49Å; E564-K568 VanDerWaalsContact O-CA 3.28Å; E564-K568 WeakPolarHBondContact O-CA 3.35Å; E564-K568 PolarHBondContact O-N 3.47Å; E564-Q569 HydrophobicContact CB-CG 4.26Å; E564-Q569 PolarHBondContact N-O 3.26Å; E564-Q569 PolarHBondContact O-N 2.87Å
565E94.2Very high96.7Very high68 Ų6863.1 Ų63.132%0.31832%0.318SS..THydrogen-bonded Turntrans-63.6-39-173.2-70.8-90.2-140.700113.4H485 K486 Y563 S567 K568H485-E565 IonicContact CD2-OE1 2.61Å; H485-E565 IonicContact NE2-OE1 3.07Å; H485-E565 PolarHBondContact NE2-OE1 2.94Å; H485-E565 VanDerWaalsContact NE2-OE1 3.14Å; K486-E565 WeakPolarHBondContact CD-OE1 3.37Å; K486-E565 IonicContact NZ-OE1 2.77Å; K486-E565 PolarHBondContact NZ-OE1 2.76Å; Y563-E565 HydrophobicContact CD1-CG 4.06Å; Y563-E565 HydrophobicContact CE1-CG 4.26Å; Y563-E565 WeakPolarHBondContact CE1-OE2 3.28Å; E565-S567 VanDerWaalsContact C-N 3.3Å; E565-S567 PolarHBondContact O-N 3.24Å; E565-K568 PolarHBondContact O-N 3.33Å
566D95Very high96.8Very high171 Ų17167.8 Ų67.891%0.91434%0.337SS*.THydrogen-bonded Turntrans-66.5-34.3-178-69.7-24.1000112.1E564E564-D566 PolarHBondContact O-N 3.03Å
567S96.5Very high96.8Very high63 Ų6364.8 Ų64.844%0.44132%0.323SS..THydrogen-bonded Turntrans-105.2-5.6-178.151.10000113.7E564 E565 Q569E564-S567 VanDerWaalsContact CB-OG 3.27Å; E564-S567 WeakPolarHBondContact CB-OG 3.18Å; E564-S567 PolarHBondContact O-N 3.49Å; E565-S567 VanDerWaalsContact C-N 3.3Å; E565-S567 PolarHBondContact O-N 3.24Å; S567-Q569 VanDerWaalsContact C-N 3.28Å; S567-Q569 PolarHBondContact O-N 3.14Å; S567-Q569 WeakPolarHBondContact OG-CG 3.17Å; S567-Q569 PolarHBondContact OG-NE2 3.03Å
568K96.8Very high96.8Very high142 Ų14271.5 Ų71.562%0.61735%0.345SS*.THydrogen-bonded Turntrans52.841.4-178.8-60.2-176.8178.4179.50113.5T518 Y563 E564 E565T518-K568 WeakPolarHBondContact CB-O 3.26Å; T518-K568 WeakPolarHBondContact CG2-O 3.21Å; T518-K568 PolarHBondContact OG1-O 3.34Å; Y563-K568 VanDerWaalsContact OH-CA 3.28Å; Y563-K568 WeakPolarHBondContact OH-CA 3.38Å; Y563-K568 WeakPolarHBondContact OH-CB 3.5Å; E564-K568 VanDerWaalsContact O-CA 3.28Å; E564-K568 WeakPolarHBondContact O-CA 3.35Å; E564-K568 PolarHBondContact O-N 3.47Å; E565-K568 PolarHBondContact O-N 3.33Å
569Q97.6Very high96.8Very high108 Ų10871.6 Ų71.651%0.50534%0.344SS..EExtended strand (participates in β ladder)trans-131.6155.7-177.568.2-171.5-3100111.7E564 S567E564-Q569 HydrophobicContact CB-CG 4.26Å; E564-Q569 PolarHBondContact N-O 3.26Å; E564-Q569 PolarHBondContact O-N 2.87Å; S567-Q569 VanDerWaalsContact C-N 3.28Å; S567-Q569 PolarHBondContact O-N 3.14Å; S567-Q569 WeakPolarHBondContact OG-CG 3.17Å; S567-Q569 PolarHBondContact OG-NE2 3.03Å
570W98.3Very high96.8Very high19 Ų1971.1 Ų71.17%0.07234%0.342CS..EExtended strand (participates in β ladder)trans-86129.1170.4-71.5100.5000110F517 T518 E519 F520 P521 M529 L536 A538 W561 Y563F517-W570 HydrophobicContact CE1-CZ2 4.25Å; T518-W570 PolarHBondContact O-NE1 3.34Å; E519-W570 VanDerWaalsContact O-CD1 3.3Å; F520-W570 AromaticContact CD2-CD2 3.85Å; F520-W570 HydrophobicContact CD2-CD2 3.85Å; F520-W570 AromaticContact CD2-CE2 3.9Å; F520-W570 HydrophobicContact CD2-CE3 4.28Å; F520-W570 HydrophobicContact CD2-CG 4.07Å; F520-W570 HydrophobicContact CD2-CZ2 4.37Å; F520-W570 HydrophobicContact CE2-CD2 4.2Å; F520-W570 HydrophobicContact CE2-CE3 4.21Å; P521-W570 HydrophobicContact CG-CB 3.64Å; P521-W570 HydrophobicContact CG-CG 4.34Å; M529-W570 HydrophobicContact CE-CH2 3.57Å; M529-W570 HydrophobicContact CE-CZ2 3.94Å; M529-W570 HydrophobicContact SD-CH2 4.05Å; L536-W570 HydrophobicContact CD2-CH2 4.18Å; L536-W570 HydrophobicContact CG-CH2 4.14Å; A538-W570 HydrophobicContact CB-CE3 4.44Å; A538-W570 HydrophobicContact CB-CH2 3.92Å; A538-W570 HydrophobicContact CB-CZ3 3.69Å; W561-W570 HydrophobicContact CB-CE3 3.96Å; W561-W570 HydrophobicContact CB-CZ3 4.41Å; W561-W570 HydrophobicContact CE3-CB 3.93Å; W561-W570 HydrophobicContact CZ3-CB 4.44Å; Y563-W570 HydrophobicContact CD2-CD2 4.05Å; Y563-W570 AromaticContact CD2-CE2 3.92Å; Y563-W570 HydrophobicContact CD2-CG 4.27Å; Y563-W570 HydrophobicContact CD2-CZ2 4.37Å
571S97.3Very high96.7Very high48 Ų4872.9 Ų72.934%0.33636%0.356SS..EExtended strand (participates in β ladder)trans-113.3125.5177.5-176.40000109.6W561 Q562 M573W561-S571 CarbonylContact C-O 3.58Å; W561-S571 WeakPolarHBondContact CA-O 3.47Å; W561-S571 VanDerWaalsContact CE3-C 3.42Å; Q562-S571 PolarHBondContact N-O 3.06Å; Q562-S571 PolarHBondContact O-N 3.35Å; S571-M573 PolarHBondContact O-N 2.89Å
572G95.9Very high96.6Very high46 Ų4672.5 Ų72.547%0.47437%0.368SS..EExtended strand (participates in β ladder)trans-76.1117.2177.800000110.2W561W561-G572 VanDerWaalsContact CE3-CA 3.48Å
573M95.3Very high96.6Very high70 Ų7072 Ų7235%0.34537%0.367SS..EExtended strand (participates in β ladder)trans-93.2-52.3-177.6-65.8-171.874.800112.4G311 Y537 I560 Q562 S571G311-M573 WeakPolarHBondContact O-CE 3.49Å; Y537-M573 HydrophobicContact CD1-SD 4.1Å; Y537-M573 HydrophobicContact CE1-SD 3.61Å; I560-M573 WeakPolarHBondContact O-CB 3.05Å; I560-M573 PolarHBondContact O-N 2.94Å; Q562-M573 HydrophobicContact CB-CG 3.83Å; Q562-M573 HydrophobicContact CB-SD 3.42Å; Q562-M573 WeakPolarHBondContact CB-SD 3.5Å; Q562-M573 HydrophobicContact CG-SD 4.36Å; Q562-M573 PolarHBondContact OE1-SD 3.43Å; S571-M573 PolarHBondContact O-N 2.89Å
574I96.8Very high96.5Very high29 Ų2972.2 Ų72.215%0.14937%0.37CS..EExtended strand (participates in β ladder)trans-127.5128.7-177.1-64.9-178.9000107.9Y309 N314 D559 I560 M577Y309-I574 HydrophobicContact CE1-CD1 4.31Å; Y309-I574 HydrophobicContact CE2-CD1 3.76Å; Y309-I574 WeakPolarHBondContact OH-CD1 3.23Å; N314-I574 WeakPolarHBondContact OD1-CD1 3.49Å; D559-I574 CarbonylContact C-O 3.58Å; D559-I574 WeakPolarHBondContact CA-O 3.26Å; D559-I574 WeakPolarHBondContact CB-O 3.49Å; I560-I574 HydrophobicContact CB-CB 4.15Å; I560-I574 HydrophobicContact CD1-CD1 4.26Å; I560-I574 HydrophobicContact CG1-CB 4.41Å; I560-I574 PolarHBondContact N-O 3.43Å; I560-I574 PolarHBondContact O-N 3.07Å; I560-I574 VanDerWaalsContact O-N 3.11Å; I574-M577 HydrophobicContact CD1-CE 3.29Å; I574-M577 HydrophobicContact CG2-CB 4.12Å
575R95.3Very high96.6Very high214 Ų21469.9 Ų69.981%0.80836%0.361SS*.SBendtrans-78.8-36.4177.7-171.4179.5174174.4-1.3113D559D559-R575 WeakPolarHBondContact CB-O 3.2Å
576E95.7Very high96.8Very high149 Ų14967.3 Ų67.370%0.69635%0.35SS*.  trans-141.1104.3-177.6-69.8178.1-164.200110.8I558I558-E576 HydrophobicContact CD1-CB 4.41Å
577M96.8Very high96.9Very high12 Ų1261 Ų616%0.05932%0.319CS..  trans-105.891.9170.5-177.862.179.700108.7M300 Y309 I558 I560 I574 Y579 A580M300-M577 HydrophobicContact CE-CE 4.39Å; M300-M577 HydrophobicContact CE-CG 3.85Å; M300-M577 HydrophobicContact CE-SD 4.06Å; M300-M577 HydrophobicContact SD-CG 3.59Å; M300-M577 VanDerWaalsContact SD-CG 3.59Å; Y309-M577 HydrophobicContact CD1-CE 4.39Å; Y309-M577 HydrophobicContact CD2-CE 3.59Å; Y309-M577 HydrophobicContact CE1-CE 4.48Å; Y309-M577 HydrophobicContact CE2-CE 3.69Å; Y309-M577 HydrophobicContact CG-CE 3.97Å; I558-M577 WeakPolarHBondContact O-CA 3.45Å; I558-M577 VanDerWaalsContact O-CB 3.32Å; I558-M577 WeakPolarHBondContact O-CB 3.49Å; I558-M577 PolarHBondContact O-N 3.15Å; I560-M577 HydrophobicContact CD1-CB 4.15Å; I560-M577 HydrophobicContact CD1-CE 3.75Å; I560-M577 HydrophobicContact CD1-CG 4.08Å; I560-M577 HydrophobicContact CG1-CB 4.2Å; I574-M577 HydrophobicContact CD1-CE 3.29Å; I574-M577 HydrophobicContact CG2-CB 4.12Å; M577-Y579 PolarHBondContact O-N 2.7Å; M577-Y579 HydrophobicContact SD-CD2 3.79Å; M577-A580 HydrophobicContact CB-CB 4.17Å; M577-A580 HydrophobicContact CG-CB 4.16Å; M577-A580 VanDerWaalsContact O-CB 3.3Å; M577-A580 WeakPolarHBondContact O-CB 3.39Å; M577-A580 PolarHBondContact O-N 2.94Å
578R96.6Very high97Very high167 Ų16758.2 Ų58.263%0.6330%0.299SS*.G310 helixtrans-52.5-28.7-17766.5-179.8178.5-176.4-3.8114.4A580 A581R578-A580 VanDerWaalsContact C-N 3.27Å; R578-A580 PolarHBondContact O-N 3.43Å; R578-A581 WeakPolarHBondContact O-CB 3.41Å; R578-A581 PolarHBondContact O-N 3.49Å
579Y97.3Very high96.9Very high39 Ų3955.3 Ų55.315%0.15328%0.284CS..G310 helixtrans-74.9-14.6179.6-53.9-63.7000113.6V307 C316 M577 A581 A583 L598V307-Y579 HydrophobicContact CB-CD1 4.4Å; V307-Y579 HydrophobicContact CB-CG 4.09Å; V307-Y579 HydrophobicContact CG1-CD1 4.47Å; V307-Y579 HydrophobicContact CG1-CD2 3.88Å; V307-Y579 HydrophobicContact CG1-CE2 4.37Å; V307-Y579 HydrophobicContact CG1-CG 3.93Å; V307-Y579 HydrophobicContact CG2-CD1 3.64Å; V307-Y579 HydrophobicContact CG2-CE1 4.11Å; V307-Y579 HydrophobicContact CG2-CG 3.84Å; C316-Y579 HydrophobicContact CB-CE2 4.26Å; M577-Y579 PolarHBondContact O-N 2.7Å; M577-Y579 HydrophobicContact SD-CD2 3.79Å; Y579-A581 VanDerWaalsContact C-N 3.33Å; Y579-A583 WeakPolarHBondContact O-CB 3.37Å; Y579-L598 HydrophobicContact CE1-CD1 4.22Å
580A97.1Very high96.7Very high5 Ų550.6 Ų50.64%0.04126%0.262CS..G310 helixtrans-80.2-13.9175.400000113M300 V539 I558 M577 R578 G582 A583M300-A580 HydrophobicContact SD-CB 3.85Å; V539-A580 HydrophobicContact CG1-CB 3.72Å; I558-A580 HydrophobicContact CB-CB 4.21Å; I558-A580 HydrophobicContact CG2-CB 4.42Å; M577-A580 HydrophobicContact CB-CB 4.17Å; M577-A580 HydrophobicContact CG-CB 4.16Å; M577-A580 VanDerWaalsContact O-CB 3.3Å; M577-A580 WeakPolarHBondContact O-CB 3.39Å; M577-A580 PolarHBondContact O-N 2.94Å; R578-A580 VanDerWaalsContact C-N 3.27Å; R578-A580 PolarHBondContact O-N 3.43Å; A580-G582 PolarHBondContact O-N 3.11Å; A580-A583 WeakPolarHBondContact O-CB 3.38Å; A580-A583 PolarHBondContact O-N 2.93Å; A580-A583 VanDerWaalsContact O-N 3.08Å
581A97Very high96.3Very high36 Ų3650.5 Ų50.530%0.29826%0.263SS..THydrogen-bonded Turntrans-62.2124.8178.500000111N302 I558 R578 Y579 A583N302-A581 PolarHBondContact ND2-O 2.85Å; I558-A581 HydrophobicContact CG2-CB 3.97Å; R578-A581 WeakPolarHBondContact O-CB 3.41Å; R578-A581 PolarHBondContact O-N 3.49Å; Y579-A581 VanDerWaalsContact C-N 3.33Å; A581-A583 PolarHBondContact O-N 3.26Å; A581-A583 VanDerWaalsContact O-N 3.13Å
582G95.3Very high95.9Very high43 Ų4348.9 Ų48.944%0.44325%0.253SS..THydrogen-bonded Turntrans6114.9-176.300000114.1E556 A580E556-G582 PolarHBondContact OE1-N 3.35Å; A580-G582 PolarHBondContact O-N 3.11Å
583A97.6Very high95.5Very high10 Ų1049.1 Ų49.18%0.08325%0.25CS..  trans-92.5139.1-170.700000112.6M300 I301 N302 N528 Y579 A580 A581M300-A583 HydrophobicContact CB-CB 4.01Å; I301-A583 WeakPolarHBondContact O-CA 3.37Å; N302-A583 HydrophobicContact CB-CB 4.28Å; N528-A583 PolarHBondContact ND2-O 3.49Å; N528-A583 VanDerWaalsContact ND2-O 3.14Å; Y579-A583 WeakPolarHBondContact O-CB 3.37Å; A580-A583 WeakPolarHBondContact O-CB 3.38Å; A580-A583 PolarHBondContact O-N 2.93Å; A580-A583 VanDerWaalsContact O-N 3.08Å; A581-A583 PolarHBondContact O-N 3.26Å; A581-A583 VanDerWaalsContact O-N 3.13Å
584S98.1Very high95.1Very high14 Ų1449 Ų4910%0.09825%0.246CC..EExtended strand (participates in β ladder)trans-83.4147.6154.764.30000109.2M300 I301 H329 S331M300-S584 WeakPolarHBondContact CA-O 3.12Å; I301-S584 PolarHBondContact N-O 2.94Å; I301-S584 PolarHBondContact O-N 3.02Å; H329-S584 PolarHBondContact CD2-OG 3.42Å; H329-S584 VanDerWaalsContact CD2-OG 3.26Å; H329-S584 PolarHBondContact NE2-OG 3.42Å; S331-S584 VanDerWaalsContact CB-OG 3.29Å; S331-S584 WeakPolarHBondContact CB-OG 3.25Å; S331-S584 PolarHBondContact OG-OG 3.17Å
585C98.3Very high94.9Very high15 Ų1548.8 Ų48.810%0.10125%0.245CC..EExtended strand (participates in β ladder)trans-122.3137.4-179.3-52.30000112I298 V299 N528 V530I298-C585 HydrophobicContact CG2-CB 4.2Å; V299-C585 WeakPolarHBondContact O-CA 3.43Å; N528-C585 HydrophobicContact CB-CB 3.78Å; N528-C585 PolarHBondContact OD1-N 2.99Å; V530-C585 HydrophobicContact CG2-CB 3.65Å
586V98.4Very high94.9Very high13 Ų1342.4 Ų42.48%0.07923%0.231CC..EExtended strand (participates in β ladder)trans-134.8159174.4-640000110.4I298 V299 I301 A333 L339 M588I298-V586 CarbonylContact C-O 3.53Å; I298-V586 WeakPolarHBondContact CA-O 3.38Å; V299-V586 HydrophobicContact CB-CG2 3.94Å; V299-V586 PolarHBondContact N-O 3.37Å; V299-V586 PolarHBondContact O-N 3.16Å; I301-V586 HydrophobicContact CD1-CG2 3.97Å; A333-V586 HydrophobicContact CB-CB 3.87Å; A333-V586 HydrophobicContact CB-CG1 4.34Å; A333-V586 HydrophobicContact CB-CG2 4.17Å; L339-V586 HydrophobicContact CD1-CG1 4.29Å; L339-V586 HydrophobicContact CD1-CG2 3.81Å; L339-V586 HydrophobicContact CD2-CG2 4.43Å; V586-M588 HydrophobicContact CG2-CG 4.02Å
587S97.9Very high95Very high38 Ų3841.4 Ų41.427%0.26622%0.224SC..EExtended strand (participates in β ladder)trans-92.1132.1166.2-176.90000109.2A333 S531 C532A333-S587 VanDerWaalsContact CB-O 3.31Å; A333-S587 WeakPolarHBondContact CB-O 3.39Å; S531-S587 VanDerWaalsContact O-CB 3.26Å; S531-S587 WeakPolarHBondContact O-CB 3.32Å; S531-S587 PolarHBondContact O-OG 3.07Å; C532-S587 WeakPolarHBondContact CA-OG 3.47Å; C532-S587 WeakPolarHBondContact CB-OG 3.47Å; C532-S587 PolarHBondContact SG-OG 3.36Å; C532-S587 VanDerWaalsContact SG-OG 3.33Å
588M97.3Very high94.9Very high5 Ų545.7 Ų45.73%0.02525%0.247CC..EExtended strand (participates in β ladder)trans-135.5161.7172.2-67-167.87700110.9D296 V297 V299 A333 N337 L339 V586 L590D296-M588 CarbonylContact C-O 3.53Å; D296-M588 WeakPolarHBondContact CA-O 3.38Å; V297-M588 PolarHBondContact N-O 2.84Å; V297-M588 PolarHBondContact O-N 3.43Å; V299-M588 HydrophobicContact CG2-CB 3.81Å; V299-M588 HydrophobicContact CG2-CG 3.85Å; V299-M588 HydrophobicContact CG2-SD 3.93Å; A333-M588 HydrophobicContact CB-CG 4.04Å; N337-M588 VanDerWaalsContact O-CE 3.3Å; N337-M588 WeakPolarHBondContact O-CE 3.42Å; L339-M588 HydrophobicContact CB-CE 3.67Å; L339-M588 HydrophobicContact CB-SD 3.57Å; L339-M588 VanDerWaalsContact CB-SD 3.57Å; L339-M588 HydrophobicContact CD2-SD 3.66Å; L339-M588 HydrophobicContact CG-SD 4.13Å; V586-M588 HydrophobicContact CG2-CG 4.02Å; M588-L590 HydrophobicContact CB-CD1 4.36Å; M588-L590 HydrophobicContact CB-CD2 4.42Å; M588-L590 HydrophobicContact CB-CG 3.97Å; M588-L590 HydrophobicContact CE-CD2 4.01Å; M588-L590 HydrophobicContact SD-CD1 4.42Å; M588-L590 HydrophobicContact SD-CD2 4.39Å
589R94.4Very high94.8Very high82 Ų8239.7 Ų39.731%0.30923%0.228SC..EExtended strand (participates in β ladder)trans-104.2101.9169.6-168.4167.7-174.775.16.2109.3E191 A294 K295 D296 N337E191-R589 WeakPolarHBondContact OE1-CD 3.34Å; E191-R589 IonicContact OE1-NE 3.14Å; E191-R589 PolarHBondContact OE1-NE 3.09Å; E191-R589 IonicContact OE2-CZ 3.77Å; E191-R589 IonicContact OE2-NE 2.73Å; E191-R589 PolarHBondContact OE2-NE 3.04Å; E191-R589 IonicContact OE2-NH2 2.86Å; E191-R589 PolarHBondContact OE2-NH2 2.89Å; A294-R589 HydrophobicContact CB-CG 4.21Å; K295-R589 CarbonylContact O-C 3.56Å; K295-R589 VanDerWaalsContact O-CA 3.28Å; K295-R589 WeakPolarHBondContact O-CA 3.28Å; D296-R589 IonicContact OD1-CZ 2.63Å; D296-R589 IonicContact OD1-NH1 2.88Å; D296-R589 PolarHBondContact OD1-NH1 2.95Å; D296-R589 IonicContact OD2-NH1 3.59Å; D296-R589 PolarHBondContact OD2-NH1 3.39Å; N337-R589 PolarHBondContact ND2-O 2.93Å; N337-R589 PolarHBondContact OD1-N 3.39Å
590L94.1Very high94.6Very high9 Ų939.7 Ų39.75%0.04723%0.232CC..EExtended strand (participates in β ladder)trans-120.2152.3-174.4-64.2179.2000111.5A294 K295 V297 V299 A308 A319 M588 A592 M595A294-L590 CarbonylContact C-O 3.6Å; A294-L590 WeakPolarHBondContact CA-O 3.43Å; K295-L590 PolarHBondContact N-O 3.38Å; K295-L590 PolarHBondContact O-N 2.87Å; V297-L590 HydrophobicContact CG2-CB 3.93Å; V297-L590 HydrophobicContact CG2-CD1 4.02Å; V297-L590 HydrophobicContact CG2-CG 4.05Å; V299-L590 HydrophobicContact CG2-CD1 3.77Å; A308-L590 HydrophobicContact CB-CD1 4.26Å; A319-L590 HydrophobicContact CB-CD1 4.17Å; M588-L590 HydrophobicContact CB-CD1 4.36Å; M588-L590 HydrophobicContact CB-CD2 4.42Å; M588-L590 HydrophobicContact CB-CG 3.97Å; M588-L590 HydrophobicContact CE-CD2 4.01Å; M588-L590 HydrophobicContact SD-CD1 4.42Å; M588-L590 HydrophobicContact SD-CD2 4.39Å; L590-A592 PolarHBondContact O-N 3.17Å; L590-M595 HydrophobicContact CB-CE 3.82Å; L590-M595 HydrophobicContact CB-SD 4.21Å; L590-M595 HydrophobicContact CD1-SD 4.07Å
591N91.1Very high94.5Very high16 Ų1641.6 Ų41.69%0.08624%0.243CC..EExtended strand (participates in β ladder)trans-83.9103.2178.7-169.3-25.7000110.7Y290 H293 A593 R594Y290-N591 PolarHBondContact O-ND2 2.96Å; H293-N591 WeakPolarHBondContact CB-OD1 3.21Å; N591-A593 PolarHBondContact O-N 3.37Å; N591-A593 VanDerWaalsContact O-N 3.17Å; N591-A593 WeakPolarHBondContact OD1-CB 3.31Å; N591-A593 PolarHBondContact OD1-N 3.03Å; N591-R594 HydrophobicContact CB-CG 4.22Å; N591-R594 PolarHBondContact O-N 3.1Å
592A88.1Confident94.3Very high15 Ų1541.9 Ų41.912%0.12424%0.239CC..G310 helixtrans-59.5-27.4-179.600000112.9H293 K295 F317 L590 R594 M595H293-A592 PolarHBondContact O-N 3.3Å; K295-A592 HydrophobicContact CD-CB 4.23Å; F317-A592 HydrophobicContact CE1-CB 4.33Å; F317-A592 HydrophobicContact CE2-CB 4.45Å; F317-A592 HydrophobicContact CZ-CB 4.22Å; L590-A592 PolarHBondContact O-N 3.17Å; A592-R594 VanDerWaalsContact C-N 3.26Å; A592-R594 PolarHBondContact O-N 3.33Å; A592-M595 HydrophobicContact CB-CE 4.48Å; A592-M595 PolarHBondContact O-N 3.12Å
593A87.8Confident94.3Very high51 Ų5141.9 Ų41.942%0.42123%0.227SC..G310 helixtrans-72.5-15.6178.200000113.8Y290 H293 N591Y290-A593 HydrophobicContact CE2-CB 4.18Å; Y290-A593 PolarHBondContact OH-O 3.27Å; H293-A593 HydrophobicContact CB-CB 3.94Å; N591-A593 PolarHBondContact O-N 3.37Å; N591-A593 VanDerWaalsContact O-N 3.17Å; N591-A593 WeakPolarHBondContact OD1-CB 3.31Å; N591-A593 PolarHBondContact OD1-N 3.03Å
594R86.6Confident94.1Very high68 Ų6844 Ų4426%0.25724%0.236SC..G310 helixtrans-85.2-21.8173.3-72-164.5174.7-129.3-16.6113.4D160 Y290 L366 N591 A592D160-R594 VanDerWaalsContact CG-NH2 3.25Å; D160-R594 IonicContact OD1-CZ 3.03Å; D160-R594 IonicContact OD1-NH1 2.69Å; D160-R594 IonicContact OD1-NH2 3.11Å; D160-R594 PolarHBondContact OD1-NH2 3.06Å; D160-R594 IonicContact OD2-CZ 3.03Å; D160-R594 IonicContact OD2-NH1 2.84Å; D160-R594 PolarHBondContact OD2-NH1 2.99Å; D160-R594 IonicContact OD2-NH2 3.62Å; D160-R594 PolarHBondContact OD2-NH2 3.47Å; Y290-R594 HydrophobicContact CE1-CG 3.35Å; Y290-R594 VanDerWaalsContact CE1-NE 3.3Å; Y290-R594 VanDerWaalsContact OH-CA 3.29Å; Y290-R594 WeakPolarHBondContact OH-CA 3.35Å; Y290-R594 WeakPolarHBondContact OH-CG 3.39Å; Y290-R594 PolarHBondContact OH-N 3.38Å; L366-R594 VanDerWaalsContact CD2-NH1 3.34Å; N591-R594 HydrophobicContact CB-CG 4.22Å; N591-R594 PolarHBondContact O-N 3.1Å; A592-R594 VanDerWaalsContact C-N 3.26Å; A592-R594 PolarHBondContact O-N 3.33Å
595M93.3Very high93.8Very high23 Ų2346.1 Ų46.111%0.11325%0.246CC..SBendtrans-99.7130.7-166.7-62.9-175.9-68.200109.7A308 F317 L318 A319 L590 A592 K597A308-M595 HydrophobicContact CB-CE 3.86Å; A308-M595 HydrophobicContact CB-SD 3.89Å; F317-M595 HydrophobicContact CB-CB 3.63Å; F317-M595 HydrophobicContact CB-CE 3.99Å; F317-M595 HydrophobicContact CB-SD 4.26Å; F317-M595 HydrophobicContact CD1-CB 4.47Å; F317-M595 HydrophobicContact CG-CB 4.39Å; F317-M595 HydrophobicContact CG-CE 4.36Å; L318-M595 WeakPolarHBondContact O-CB 3.38Å; A319-M595 HydrophobicContact CB-SD 3.85Å; L590-M595 HydrophobicContact CB-CE 3.82Å; L590-M595 HydrophobicContact CB-SD 4.21Å; L590-M595 HydrophobicContact CD1-SD 4.07Å; A592-M595 HydrophobicContact CB-CE 4.48Å; A592-M595 PolarHBondContact O-N 3.12Å; M595-K597 PolarHBondContact O-N 3.26Å
596P95.4Very high93.4Very high81 Ų8148.5 Ų48.553%0.52626%0.257SS..PPolyproline II helixtrans-58.4132.9169.4-22.333.3000110.4F317 L318F317-P596 CarbonylContact C-O 3.54Å; F317-P596 VanDerWaalsContact CA-O 3.31Å; F317-P596 WeakPolarHBondContact CA-O 3.35Å; L318-P596 HydrophobicContact CB-CB 4.47Å; L318-P596 PolarHBondContact N-O 3.15Å
597K95.9Very high93Very high127 Ų12751.5 Ų51.555%0.55227%0.272SS*.BIsolated β-bridgetrans-72.1143.5173.5-165.4173.7-176.1170.70110.3E315 F317 M595E315-K597 VanDerWaalsContact CD-CE 3.49Å; E315-K597 WeakPolarHBondContact OE1-CE 3.46Å; E315-K597 IonicContact OE1-NZ 2.64Å; E315-K597 PolarHBondContact OE1-NZ 3.15Å; E315-K597 IonicContact OE2-NZ 2.94Å; E315-K597 PolarHBondContact OE2-NZ 3.49Å; F317-K597 HydrophobicContact CD1-CB 4.18Å; F317-K597 HydrophobicContact CD1-CG 4.32Å; F317-K597 HydrophobicContact CE1-CB 4.25Å; F317-K597 HydrophobicContact CE1-CD 4.48Å; F317-K597 HydrophobicContact CE1-CG 4.13Å; M595-K597 PolarHBondContact O-N 3.26Å
598L94.6Very high92.6Very high103 Ų10352.7 Ų52.754%0.53927%0.273SS..  trans-108.80-176.2-72.1177.8000114.3V307 C316 L318 Y579V307-L598 HydrophobicContact CB-CD1 4.42Å; V307-L598 HydrophobicContact CG1-CD1 3.88Å; V307-L598 HydrophobicContact CG2-CD1 3.74Å; C316-L598 HydrophobicContact CB-CB 4.11Å; C316-L598 PolarHBondContact O-N 3.21Å; L318-L598 HydrophobicContact CB-CD1 4.06Å; L318-L598 HydrophobicContact CB-CD2 4.11Å; L318-L598 HydrophobicContact CB-CG 4.07Å; Y579-L598 HydrophobicContact CE1-CD1 4.22Å

Retrieved 598 of 598 residues in 374.3 ms (Link to these results)

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