A0A087YFC1_POEFO Loading...

NOP2/Sun RNA methyltransferase 6

AlphaFold DB , UniProt , Accession A0A087YFC1, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 466 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
1M29.4Very low56.9Low239 Ų239116 Ų116100%1.17762%0.617SS**  097.10-77.1-179-124.200107.4L3M1-L3 PolarHBondContact O-N 2.78Å
2H26Very low59.9Low196 Ų196107.3 Ų107.391%0.90757%0.57SS**  trans-70.5106.6173.9-74.6-16.6000108.2G4H2-G4 PolarHBondContact O-N 3.11Å
3L27.8Very low62.3Low169 Ų169102.5 Ų102.589%0.88555%0.551SS**  trans-61.594.9154.9-80.4152.3000105.3M1 E5M1-L3 PolarHBondContact O-N 2.78Å; L3-E5 PolarHBondContact O-N 3.04Å; L3-E5 VanDerWaalsContact O-N 3.1Å
4G31.8Very low64.5Low61 Ų6196.8 Ų96.863%0.62952%0.52SS*.  trans-56117.3169.800000107.3H2 M6H2-G4 PolarHBondContact O-N 3.11Å; G4-M6 PolarHBondContact O-N 3.37Å
5E40.4Very low66.4Low141 Ų14195.3 Ų95.366%0.65951%0.507SS*.  trans-52.7106.8179.2-74.8176.2146.400108.6L3 S7 T441L3-E5 PolarHBondContact O-N 3.04Å; L3-E5 VanDerWaalsContact O-N 3.1Å; E5-S7 PolarHBondContact O-N 2.71Å; E5-S7 VanDerWaalsContact O-N 3.14Å; E5-T441 WeakPolarHBondContact OE2-CG2 3.46Å
6M49.6Very low68.3Low182 Ų18296 Ų9690%0.89752%0.519SS*.  trans-70.2111.8173.4-71.5-17665.400107.2G4 V8G4-M6 PolarHBondContact O-N 3.37Å; M6-V8 PolarHBondContact O-N 2.73Å
7S66.7Low69.9Low42 Ų4295.6 Ų95.629%0.29451%0.513SS..  trans-40.6130170.1174.10000112.1E5 F9 H53 Q440E5-S7 PolarHBondContact O-N 2.71Å; E5-S7 VanDerWaalsContact O-N 3.14Å; S7-F9 PolarHBondContact O-N 2.76Å; S7-F9 PolarHBondContact OG-O 3Å; S7-H53 PolarHBondContact OG-CE1 3Å; S7-H53 PolarHBondContact OG-NE2 3.45Å; S7-Q440 PolarHBondContact OG-NE2 2.92Å
8V83.8Confident71.4Confident70 Ų7090.4 Ų90.442%0.42449%0.485SS..SBendtrans-60.5-33.5-174.8173.80000112.4M6 P113 L211M6-V8 PolarHBondContact O-N 2.73Å; V8-P113 HydrophobicContact CB-CB 4.06Å; V8-P113 HydrophobicContact CB-CG 4.24Å; V8-P113 HydrophobicContact CG1-CB 4.14Å; V8-P113 HydrophobicContact CG2-CB 3.6Å; V8-P113 HydrophobicContact CG2-CG 3.51Å; V8-L211 HydrophobicContact CG1-CD1 4.19Å
9F88.9Confident72.8Confident4 Ų487.8 Ų87.82%0.01847%0.473CS..SBendtrans-109.1146.4171.4-56.1-46.3000111.7S7 S52 H53 L134 V179 L211 Y212S7-F9 PolarHBondContact O-N 2.76Å; S7-F9 PolarHBondContact OG-O 3Å; F9-S52 WeakPolarHBondContact CD2-O 3.18Å; F9-H53 AromaticContact CD2-CD2 3.86Å; F9-H53 AromaticContact CD2-NE2 3.94Å; F9-L134 HydrophobicContact CE2-CD1 3.86Å; F9-L134 HydrophobicContact CE2-CD2 4.07Å; F9-L134 HydrophobicContact CZ-CD1 3.87Å; F9-L134 HydrophobicContact CZ-CD2 3.57Å; F9-L134 HydrophobicContact CZ-CG 4.4Å; F9-V179 HydrophobicContact CD1-CG1 3.38Å; F9-V179 HydrophobicContact CE1-CG1 3.43Å; F9-V179 VanDerWaalsContact CE1-CG1 3.43Å; F9-L211 HydrophobicContact CE1-CD1 3.76Å; F9-L211 HydrophobicContact CZ-CD1 3.9Å; F9-Y212 HydrophobicContact CD2-CE2 4.34Å; F9-Y212 HydrophobicContact CE2-CD2 4.07Å; F9-Y212 AromaticContact CE2-CE2 3.32Å; F9-Y212 HydrophobicContact CE2-CE2 3.32Å; F9-Y212 HydrophobicContact CZ-CD2 4.17Å; F9-Y212 AromaticContact CZ-CE2 3.65Å; F9-Y212 HydrophobicContact CZ-CE2 3.65Å
10P88.6Confident74Confident71 Ų7185 Ų8546%0.46147%0.465SS..PPolyproline II helixtrans-65.3165.9166.831.1-35.2000110.5S52 V179P10-S52 WeakPolarHBondContact O-CB 3.34Å; P10-S52 PolarHBondContact O-OG 3.37Å; P10-V179 HydrophobicContact CG-CG2 4.4Å
11K92.6Very high75.2Confident101 Ų10183 Ų8344%0.43945%0.451SS..PPolyproline II helixtrans-56.3153168-68.3172.8-177.2165.40110.6S13 L48 A49 S52K11-S13 PolarHBondContact O-N 3.31Å; K11-L48 VanDerWaalsContact CA-O 3.31Å; K11-L48 WeakPolarHBondContact CA-O 3.41Å; K11-L48 HydrophobicContact CB-CB 4.06Å; K11-L48 HydrophobicContact CD-CB 4.11Å; K11-L48 HydrophobicContact CG-CB 4.09Å; K11-A49 HydrophobicContact CG-CB 4.21Å; K11-S52 VanDerWaalsContact C-OG 3.27Å
12I93.1Very high78.4Confident11 Ų1171.8 Ų71.86%0.05640%0.396CS..PPolyproline II helixtrans-51.9128.6177.6-178.5172.6000110L14 L48 L51 S52 N342I12-L14 HydrophobicContact CD1-CD2 3.8Å; I12-L14 HydrophobicContact CD1-CG 4.46Å; I12-L14 HydrophobicContact CG1-CD2 3.87Å; I12-L14 HydrophobicContact CG1-CG 4.16Å; I12-L14 HydrophobicContact CG2-CD1 4.08Å; I12-L14 HydrophobicContact CG2-CD2 4.5Å; I12-L14 HydrophobicContact CG2-CG 4.05Å; I12-L14 PolarHBondContact O-N 3.26Å; I12-L48 HydrophobicContact CG2-CB 4.25Å; I12-L48 HydrophobicContact CG2-CD2 3.73Å; I12-L48 PolarHBondContact N-O 3.29Å; I12-L51 HydrophobicContact CB-CB 4.23Å; I12-L51 HydrophobicContact CD1-CB 4.39Å; I12-L51 HydrophobicContact CD1-CD1 4.42Å; I12-L51 HydrophobicContact CG2-CB 4.15Å; I12-L51 HydrophobicContact CG2-CD1 4.1Å; I12-S52 WeakPolarHBondContact CA-OG 3.5Å; I12-S52 PolarHBondContact N-OG 2.95Å; I12-N342 WeakPolarHBondContact CB-O 3.45Å; I12-N342 HydrophobicContact CD1-CB 4.08Å; I12-N342 WeakPolarHBondContact CD1-O 3.1Å; I12-N342 VanDerWaalsContact CG1-O 3.25Å; I12-N342 WeakPolarHBondContact CG1-O 3.49Å
13S90.9Very high81.8Confident46 Ų4666.9 Ų66.932%0.32237%0.369SS..EExtended strand (participates in β ladder)trans-76.8112.1176.5-172.60000109.7K11 M343 A344 S345K11-S13 PolarHBondContact O-N 3.31Å; S13-M343 PolarHBondContact N-O 2.89Å; S13-A344 WeakPolarHBondContact O-CA 3.49Å; S13-S345 PolarHBondContact O-N 3.31Å
14L92.9Very high85.1Confident22 Ų2264.4 Ų64.412%0.11536%0.357CS..EExtended strand (participates in β ladder)trans-123.8152179.2-60.8179000109.7I12 V18 T19 L22 L48I12-L14 HydrophobicContact CD1-CD2 3.8Å; I12-L14 HydrophobicContact CD1-CG 4.46Å; I12-L14 HydrophobicContact CG1-CD2 3.87Å; I12-L14 HydrophobicContact CG1-CG 4.16Å; I12-L14 HydrophobicContact CG2-CD1 4.08Å; I12-L14 HydrophobicContact CG2-CD2 4.5Å; I12-L14 HydrophobicContact CG2-CG 4.05Å; I12-L14 PolarHBondContact O-N 3.26Å; L14-V18 HydrophobicContact CD1-CG1 4.42Å; L14-T19 WeakPolarHBondContact CB-OG1 3.23Å; L14-L22 HydrophobicContact CD1-CD1 3.72Å; L14-L48 HydrophobicContact CD1-CD2 3.88Å
15K94Very high88.2Confident75 Ų7562.1 Ų62.133%0.32633%0.33SS..  trans-62.3143.5170.3-63.9-176.1178.8163.30110.5E17 V18 T19 T346K15-E17 VanDerWaalsContact C-N 3.26Å; K15-E17 HydrophobicContact CB-CG 4.5Å; K15-E17 WeakPolarHBondContact CB-OE1 3.41Å; K15-E17 VanDerWaalsContact CD-OE1 3.28Å; K15-E17 WeakPolarHBondContact CD-OE1 3.28Å; K15-E17 PolarHBondContact O-N 2.76Å; K15-E17 VanDerWaalsContact O-N 3.16Å; K15-V18 HydrophobicContact CB-CG2 4.21Å; K15-V18 WeakPolarHBondContact O-CA 3.18Å; K15-V18 WeakPolarHBondContact O-CB 3.38Å; K15-V18 PolarHBondContact O-N 3.2Å; K15-T19 PolarHBondContact O-N 2.79Å; K15-T19 PolarHBondContact O-OG1 3.18Å; K15-T346 WeakPolarHBondContact CE-O 3.34Å; K15-T346 PolarHBondContact NZ-O 3.29Å
16P95.8Very high90.8Very high106 Ų10655.9 Ų55.969%0.68830%0.301SS*.Hα-helixtrans-52.7-40.2-176-28.735.8000114.4V18 T19 G20P16-V18 VanDerWaalsContact C-N 3.32Å; P16-V18 PolarHBondContact O-N 3.13Å; P16-T19 PolarHBondContact O-N 2.89Å; P16-G20 PolarHBondContact O-N 3.02Å
17E96.8Very high93.1Very high90 Ų9048.9 Ų48.942%0.42127%0.267SS..Hα-helixtrans-66-32.6177.765.3-83.7-165.600113.1K15 Y21 L349K15-E17 VanDerWaalsContact C-N 3.26Å; K15-E17 HydrophobicContact CB-CG 4.5Å; K15-E17 WeakPolarHBondContact CB-OE1 3.41Å; K15-E17 VanDerWaalsContact CD-OE1 3.28Å; K15-E17 WeakPolarHBondContact CD-OE1 3.28Å; K15-E17 PolarHBondContact O-N 2.76Å; K15-E17 VanDerWaalsContact O-N 3.16Å; E17-Y21 WeakPolarHBondContact O-CB 3.5Å; E17-Y21 PolarHBondContact O-N 2.79Å; E17-L349 HydrophobicContact CB-CD2 4.47Å; E17-L349 HydrophobicContact CG-CB 3.89Å
18V97.1Very high94.6Very high1 Ų148 Ų481%0.00626%0.259CS..Hα-helixtrans-74.5-43.5176.31780000110.2L14 K15 P16 G20 Y21 L22 L349 I352L14-V18 HydrophobicContact CD1-CG1 4.42Å; K15-V18 HydrophobicContact CB-CG2 4.21Å; K15-V18 WeakPolarHBondContact O-CA 3.18Å; K15-V18 WeakPolarHBondContact O-CB 3.38Å; K15-V18 PolarHBondContact O-N 3.2Å; P16-V18 VanDerWaalsContact C-N 3.32Å; P16-V18 PolarHBondContact O-N 3.13Å; V18-G20 VanDerWaalsContact C-N 3.31Å; V18-G20 PolarHBondContact O-N 3.12Å; V18-Y21 WeakPolarHBondContact O-CB 3.43Å; V18-Y21 PolarHBondContact O-N 3.16Å; V18-L22 HydrophobicContact CG1-CD1 4.36Å; V18-L22 WeakPolarHBondContact O-CG 3.19Å; V18-L22 PolarHBondContact O-N 3.32Å; V18-L349 HydrophobicContact CG2-CB 4.25Å; V18-I352 HydrophobicContact CB-CD1 4.2Å; V18-I352 HydrophobicContact CG1-CD1 3.4Å; V18-I352 HydrophobicContact CG2-CD1 3.69Å
19T97.2Very high95.2Very high42 Ų4253.7 Ų53.726%0.25828%0.278SS..Hα-helixtrans-59.1-44173.9-54.30000111.1L14 K15 P16 L22 R23 F44 L48L14-T19 WeakPolarHBondContact CB-OG1 3.23Å; K15-T19 PolarHBondContact O-N 2.79Å; K15-T19 PolarHBondContact O-OG1 3.18Å; P16-T19 PolarHBondContact O-N 2.89Å; T19-L22 PolarHBondContact O-N 2.83Å; T19-R23 VanDerWaalsContact O-CB 3.32Å; T19-R23 WeakPolarHBondContact O-CB 3.39Å; T19-R23 PolarHBondContact O-N 2.92Å; T19-F44 HydrophobicContact CG2-CZ 4.24Å; T19-L48 HydrophobicContact CG2-CD1 4.45Å
20G97.7Very high95.6Very high31 Ų3157 Ų5732%0.3229%0.294SS..Hα-helixtrans-62.4-42.3175.800000112.7P16 V18 R23 N24P16-G20 PolarHBondContact O-N 3.02Å; V18-G20 VanDerWaalsContact C-N 3.31Å; V18-G20 PolarHBondContact O-N 3.12Å; G20-R23 PolarHBondContact O-N 2.82Å; G20-N24 VanDerWaalsContact O-CG 3.32Å; G20-N24 PolarHBondContact O-N 3.45Å; G20-N24 VanDerWaalsContact O-N 3.1Å; G20-N24 PolarHBondContact O-ND2 2.86Å
21Y97.8Very high96Very high44 Ų4454.2 Ų54.217%0.17328%0.276CS..Hα-helixtrans-60-51.2174.4171.4-105.3000112.4E17 V18 R23 N24 V25 L349 I352 T384 S386E17-Y21 WeakPolarHBondContact O-CB 3.5Å; E17-Y21 PolarHBondContact O-N 2.79Å; V18-Y21 WeakPolarHBondContact O-CB 3.43Å; V18-Y21 PolarHBondContact O-N 3.16Å; Y21-R23 VanDerWaalsContact C-N 3.32Å; Y21-R23 PolarHBondContact O-N 3.41Å; Y21-N24 PolarHBondContact O-N 2.86Å; Y21-V25 HydrophobicContact CE1-CG2 4.24Å; Y21-V25 HydrophobicContact CE2-CG2 4.3Å; Y21-V25 PolarHBondContact O-N 3.11Å; Y21-V25 VanDerWaalsContact O-N 3.13Å; Y21-L349 HydrophobicContact CD1-CD1 3.8Å; Y21-L349 HydrophobicContact CD2-CD1 3.89Å; Y21-L349 HydrophobicContact CG-CD1 3.44Å; Y21-L349 VanDerWaalsContact CG-CD1 3.44Å; Y21-I352 HydrophobicContact CE1-CG2 4.3Å; Y21-T384 HydrophobicContact CE1-CG2 4.05Å; Y21-S386 WeakPolarHBondContact OH-CB 3.48Å; Y21-S386 PolarHBondContact OH-OG 3.13Å
22L97.4Very high96.2Very high2 Ų252.1 Ų52.11%0.0127%0.269CS..Hα-helixtrans-64-38.5178.9-67.2177.6000111.8L14 V18 T19 N24 V25 F26 F44 L337 T384L14-L22 HydrophobicContact CD1-CD1 3.72Å; V18-L22 HydrophobicContact CG1-CD1 4.36Å; V18-L22 WeakPolarHBondContact O-CG 3.19Å; V18-L22 PolarHBondContact O-N 3.32Å; T19-L22 PolarHBondContact O-N 2.83Å; L22-N24 VanDerWaalsContact C-N 3.29Å; L22-N24 PolarHBondContact O-N 2.9Å; L22-V25 WeakPolarHBondContact O-CB 3.37Å; L22-V25 PolarHBondContact O-N 2.94Å; L22-V25 VanDerWaalsContact O-N 3.09Å; L22-F26 WeakPolarHBondContact O-CD2 3.42Å; L22-F26 PolarHBondContact O-N 2.83Å; L22-F44 HydrophobicContact CB-CE2 3.77Å; L22-F44 HydrophobicContact CB-CZ 4.25Å; L22-L337 HydrophobicContact CD1-CD1 4.29Å; L22-L337 HydrophobicContact CD2-CD1 4.04Å; L22-T384 HydrophobicContact CD2-CG2 3.89Å
23R97.9Very high96.4Very high94 Ų9455.8 Ų55.836%0.35530%0.301SS..Hα-helixtrans-56.3-46.1174.3-171.9-174-174.8823.3111T19 G20 Y21 V25 F26 L27 E41 F44T19-R23 VanDerWaalsContact O-CB 3.32Å; T19-R23 WeakPolarHBondContact O-CB 3.39Å; T19-R23 PolarHBondContact O-N 2.92Å; G20-R23 PolarHBondContact O-N 2.82Å; Y21-R23 VanDerWaalsContact C-N 3.32Å; Y21-R23 PolarHBondContact O-N 3.41Å; R23-V25 VanDerWaalsContact C-N 3.27Å; R23-V25 PolarHBondContact O-N 3.44Å; R23-F26 PolarHBondContact O-N 2.89Å; R23-L27 HydrophobicContact CG-CD1 4.18Å; R23-L27 HydrophobicContact CG-CD2 4.27Å; R23-L27 WeakPolarHBondContact O-CB 3.3Å; R23-L27 WeakPolarHBondContact O-CD1 3.16Å; R23-L27 PolarHBondContact O-N 2.71Å; R23-E41 IonicContact CZ-OE1 3.4Å; R23-E41 IonicContact CZ-OE2 2.98Å; R23-E41 IonicContact NE-OE2 3.88Å; R23-E41 VanDerWaalsContact NH1-CD 3.25Å; R23-E41 IonicContact NH1-OE1 2.71Å; R23-E41 PolarHBondContact NH1-OE1 3.42Å; R23-E41 IonicContact NH1-OE2 2.99Å; R23-E41 PolarHBondContact NH1-OE2 3.33Å; R23-E41 IonicContact NH2-OE1 3.28Å; R23-E41 PolarHBondContact NH2-OE1 2.96Å; R23-E41 IonicContact NH2-OE2 2.75Å; R23-E41 PolarHBondContact NH2-OE2 3.28Å; R23-F44 HydrophobicContact CB-CD1 4.3Å; R23-F44 HydrophobicContact CB-CE1 3.68Å; R23-F44 HydrophobicContact CB-CE2 4.48Å; R23-F44 HydrophobicContact CB-CZ 3.78Å; R23-F44 HydrophobicContact CG-CD1 4.14Å; R23-F44 HydrophobicContact CG-CE1 3.9Å; R23-F44 HydrophobicContact CG-CZ 4.48Å
24N96.8Very high96.7Very high117 Ų11756.5 Ų56.563%0.62631%0.31SS*.Hα-helixtrans-64.1-32.9178.1-68.1-19.8000112.8G20 Y21 L22 N28G20-N24 VanDerWaalsContact O-CG 3.32Å; G20-N24 PolarHBondContact O-N 3.45Å; G20-N24 VanDerWaalsContact O-N 3.1Å; G20-N24 PolarHBondContact O-ND2 2.86Å; Y21-N24 PolarHBondContact O-N 2.86Å; L22-N24 VanDerWaalsContact C-N 3.29Å; L22-N24 PolarHBondContact O-N 2.9Å; N24-N28 PolarHBondContact O-N 3.36Å
25V95.6Very high96.8Very high12 Ų1257.9 Ų57.97%0.07332%0.319CS..Hα-helixtrans-64.9-49.6174.5166.50000111.1Y21 L22 R23 N28 L385 M416Y21-V25 HydrophobicContact CE1-CG2 4.24Å; Y21-V25 HydrophobicContact CE2-CG2 4.3Å; Y21-V25 PolarHBondContact O-N 3.11Å; Y21-V25 VanDerWaalsContact O-N 3.13Å; L22-V25 WeakPolarHBondContact O-CB 3.37Å; L22-V25 PolarHBondContact O-N 2.94Å; L22-V25 VanDerWaalsContact O-N 3.09Å; R23-V25 VanDerWaalsContact C-N 3.27Å; R23-V25 PolarHBondContact O-N 3.44Å; V25-N28 PolarHBondContact O-ND2 2.69Å; V25-L385 HydrophobicContact CG1-CB 3.79Å; V25-M416 HydrophobicContact CG1-CE 3.54Å
26F96.6Very high97Very high10 Ų1055.4 Ų55.44%0.04431%0.314CS..Hα-helixtrans-81.3-16.4-175.8-78.8-97.4000113.8L22 R23 V31 F44 L47 V383 M416L22-F26 WeakPolarHBondContact O-CD2 3.42Å; L22-F26 PolarHBondContact O-N 2.83Å; R23-F26 PolarHBondContact O-N 2.89Å; F26-V31 VanDerWaalsContact O-CG1 3.31Å; F26-V31 WeakPolarHBondContact O-CG1 3.45Å; F26-F44 HydrophobicContact CB-CB 4.14Å; F26-F44 HydrophobicContact CB-CD2 3.94Å; F26-F44 HydrophobicContact CB-CG 4.33Å; F26-F44 HydrophobicContact CD2-CD2 4.17Å; F26-F44 HydrophobicContact CG-CD2 4.07Å; F26-L47 HydrophobicContact CD1-CD2 4.31Å; F26-L47 HydrophobicContact CD2-CD2 4.14Å; F26-L47 HydrophobicContact CE1-CD2 3.71Å; F26-L47 HydrophobicContact CE2-CD2 3.52Å; F26-L47 HydrophobicContact CZ-CD2 3.27Å; F26-V383 HydrophobicContact CE2-CG2 4.34Å; F26-V383 HydrophobicContact CZ-CB 4.15Å; F26-V383 HydrophobicContact CZ-CG2 4.38Å; F26-M416 HydrophobicContact CD1-SD 4.12Å; F26-M416 HydrophobicContact CE1-SD 4.01Å; F26-M416 HydrophobicContact CZ-SD 4.41Å
27L97.6Very high97Very high36 Ų3654.6 Ų54.619%0.18831%0.309CS..THydrogen-bonded Turntrans-112.834.6174-74.968.6000111R23 L32 A40 E41 F44R23-L27 HydrophobicContact CG-CD1 4.18Å; R23-L27 HydrophobicContact CG-CD2 4.27Å; R23-L27 WeakPolarHBondContact O-CB 3.3Å; R23-L27 WeakPolarHBondContact O-CD1 3.16Å; R23-L27 PolarHBondContact O-N 2.71Å; L27-L32 HydrophobicContact CB-CD2 4.23Å; L27-L32 HydrophobicContact CB-CG 4.45Å; L27-L32 HydrophobicContact CG-CD2 4.32Å; L27-L32 WeakPolarHBondContact O-CD1 3.47Å; L27-A40 HydrophobicContact CG-CB 4.19Å; L27-E41 WeakPolarHBondContact CD2-OE2 3.47Å; L27-F44 HydrophobicContact CD1-CB 3.98Å; L27-F44 HydrophobicContact CD1-CG 4.33Å
28N97.4Very high97Very high23 Ų2358.6 Ų58.612%0.12333%0.328CS..  trans-66.8162.2174.175.167.3000111.2N24 V25 E30 V31 L32 L417N24-N28 PolarHBondContact O-N 3.36Å; V25-N28 PolarHBondContact O-ND2 2.69Å; N28-E30 VanDerWaalsContact C-N 3.28Å; N28-E30 PolarHBondContact O-N 2.91Å; N28-E30 WeakPolarHBondContact OD1-CB 3.24Å; N28-E30 PolarHBondContact OD1-N 3.47Å; N28-V31 WeakPolarHBondContact ND2-CG2 3.38Å; N28-V31 PolarHBondContact O-N 2.81Å; N28-V31 PolarHBondContact OD1-N 3.18Å; N28-L32 WeakPolarHBondContact O-CB 3.08Å; N28-L32 WeakPolarHBondContact O-CG 3.28Å; N28-L32 PolarHBondContact O-N 3.35Å; N28-L417 PolarHBondContact ND2-O 2.8Å
29K97.4Very high97Very high190 Ų19062.1 Ų62.183%0.82634%0.344SS*.Hα-helixtrans-57.5-37.5-173.4-67.5-179.2-179.6178.40113.5A33K29-A33 WeakPolarHBondContact O-CB 3.45Å; K29-A33 PolarHBondContact O-N 3.41Å
30E97.3Very high96.9Very high72 Ų7260.1 Ų60.134%0.33633%0.332SS..Hα-helixtrans-72.4-42.6-179.1-63.4175.7-144.300111.3N28 A33 A34 L417 G418N28-E30 VanDerWaalsContact C-N 3.28Å; N28-E30 PolarHBondContact O-N 2.91Å; N28-E30 WeakPolarHBondContact OD1-CB 3.24Å; N28-E30 PolarHBondContact OD1-N 3.47Å; E30-A33 PolarHBondContact O-N 2.84Å; E30-A34 WeakPolarHBondContact O-CB 3.5Å; E30-A34 PolarHBondContact O-N 2.86Å; E30-L417 HydrophobicContact CB-CB 3.85Å; E30-G418 VanDerWaalsContact CD-CA 3.46Å; E30-G418 WeakPolarHBondContact OE1-CA 3.33Å; E30-G418 WeakPolarHBondContact OE2-CA 3.38Å; E30-G418 PolarHBondContact OE2-N 2.85Å
31V96.4Very high96.9Very high14 Ų1460.6 Ų60.69%0.08533%0.326CS..Hα-helixtrans-62.6-46.2174.6174.60000110.6F26 N28 A33 A34 V35 A40 M416 L417F26-V31 VanDerWaalsContact O-CG1 3.31Å; F26-V31 WeakPolarHBondContact O-CG1 3.45Å; N28-V31 WeakPolarHBondContact ND2-CG2 3.38Å; N28-V31 PolarHBondContact O-N 2.81Å; N28-V31 PolarHBondContact OD1-N 3.18Å; V31-A33 VanDerWaalsContact C-N 3.29Å; V31-A33 PolarHBondContact O-N 2.87Å; V31-A34 PolarHBondContact O-N 2.73Å; V31-A34 VanDerWaalsContact O-N 3.12Å; V31-V35 HydrophobicContact CG1-CG2 4.05Å; V31-V35 WeakPolarHBondContact O-CG2 3.26Å; V31-V35 PolarHBondContact O-N 2.91Å; V31-A40 HydrophobicContact CG1-CB 4.04Å; V31-M416 HydrophobicContact CG2-CG 4.27Å; V31-L417 HydrophobicContact CG2-CB 3.94Å
32L97.4Very high96.8Very high56 Ų5660.7 Ų60.729%0.29333%0.333SS..Hα-helixtrans-59.7-39.5177.4-70.9175.9000112.2L27 N28 G36 P37 A40L27-L32 HydrophobicContact CB-CD2 4.23Å; L27-L32 HydrophobicContact CB-CG 4.45Å; L27-L32 HydrophobicContact CG-CD2 4.32Å; L27-L32 WeakPolarHBondContact O-CD1 3.47Å; N28-L32 WeakPolarHBondContact O-CB 3.08Å; N28-L32 WeakPolarHBondContact O-CG 3.28Å; N28-L32 PolarHBondContact O-N 3.35Å; L32-G36 WeakPolarHBondContact O-CA 3.41Å; L32-G36 PolarHBondContact O-N 3.05Å; L32-P37 HydrophobicContact CD2-CB 4.03Å; L32-A40 HydrophobicContact CD2-CB 3.99Å
33A97Very high96.7Very high89 Ų8964.3 Ų64.374%0.73635%0.347SS*.Hα-helixtrans-67.9-35.6176.200000112.4K29 E30 V31K29-A33 WeakPolarHBondContact O-CB 3.45Å; K29-A33 PolarHBondContact O-N 3.41Å; E30-A33 PolarHBondContact O-N 2.84Å; V31-A33 VanDerWaalsContact C-N 3.29Å; V31-A33 PolarHBondContact O-N 2.87Å
34A95.9Very high96.6Very high61 Ų6159.9 Ų59.950%0.50433%0.33SS..Hα-helixtrans-78.7-40.8-17600000114E30 V31 L417E30-A34 WeakPolarHBondContact O-CB 3.5Å; E30-A34 PolarHBondContact O-N 2.86Å; V31-A34 PolarHBondContact O-N 2.73Å; V31-A34 VanDerWaalsContact O-N 3.12Å; A34-L417 HydrophobicContact CB-CD1 3.44Å; A34-L417 VanDerWaalsContact CB-CD1 3.44Å
35V95.9Very high96.6Very high50 Ų5056.9 Ų56.930%0.30331%0.313SS..Hα-helixtrans-120.1-9.8-173.7-54.40000114.3V31 E39 A40V31-V35 HydrophobicContact CG1-CG2 4.05Å; V31-V35 WeakPolarHBondContact O-CG2 3.26Å; V31-V35 PolarHBondContact O-N 2.91Å; V35-E39 HydrophobicContact CB-CB 4.22Å; V35-E39 HydrophobicContact CB-CG 3.93Å; V35-E39 HydrophobicContact CG2-CB 4.2Å; V35-E39 HydrophobicContact CG2-CG 4.07Å; V35-E39 WeakPolarHBondContact O-CB 3.49Å; V35-A40 HydrophobicContact CG2-CB 4.05Å
36G97.5Very high96.5Very high23 Ų2359.5 Ų59.524%0.23732%0.323CS..  trans82.2160.9-175.200000113.8L32 Q38 A40L32-G36 WeakPolarHBondContact O-CA 3.41Å; L32-G36 PolarHBondContact O-N 3.05Å; G36-Q38 PolarHBondContact O-N 3.07Å; G36-A40 WeakPolarHBondContact O-CB 3.39Å; G36-A40 PolarHBondContact O-N 3.45Å; G36-A40 VanDerWaalsContact O-N 3.1Å
37P96.8Very high96.5Very high89 Ų8959 Ų5958%0.57832%0.321SS*.Hα-helixtrans-67.3-35.6-172.425-34.1000114.1L32 E41L32-P37 HydrophobicContact CD2-CB 4.03Å; P37-E41 VanDerWaalsContact O-CB 3.32Å; P37-E41 WeakPolarHBondContact O-CB 3.41Å; P37-E41 PolarHBondContact O-N 3.31Å
38Q96.8Very high96.4Very high174 Ų17457.9 Ų57.981%0.81332%0.315SS*.Hα-helixtrans-67.7-45.2-178.5-68-179.8-2.100111.6G36 S42G36-Q38 PolarHBondContact O-N 3.07Å; Q38-S42 WeakPolarHBondContact O-CB 3.41Å; Q38-S42 PolarHBondContact O-N 3.36Å
39E95.8Very high96.2Very high75 Ų7557.5 Ų57.535%0.3532%0.315SS..Hα-helixtrans-70.9-40.5179.3178.256.5-163.600111.7V35 E41 S42 R43V35-E39 HydrophobicContact CB-CB 4.22Å; V35-E39 HydrophobicContact CB-CG 3.93Å; V35-E39 HydrophobicContact CG2-CB 4.2Å; V35-E39 HydrophobicContact CG2-CG 4.07Å; V35-E39 WeakPolarHBondContact O-CB 3.49Å; E39-E41 VanDerWaalsContact C-N 3.33Å; E39-E41 PolarHBondContact O-N 2.87Å; E39-S42 WeakPolarHBondContact O-CB 3.49Å; E39-S42 PolarHBondContact O-N 3.09Å; E39-R43 WeakPolarHBondContact O-CG 3.42Å; E39-R43 PolarHBondContact O-N 3.47Å; E39-R43 IonicContact OE1-CZ 2.73Å; E39-R43 IonicContact OE1-NE 2.8Å; E39-R43 PolarHBondContact OE1-NE 2.93Å; E39-R43 IonicContact OE1-NH2 3.31Å; E39-R43 PolarHBondContact OE1-NH2 3.1Å
40A96.6Very high96Very high1 Ų148.4 Ų48.41%0.00828%0.275CS..Hα-helixtrans-59.4-44.1174.400000111.9L27 V31 L32 V35 G36 R43 F44L27-A40 HydrophobicContact CG-CB 4.19Å; V31-A40 HydrophobicContact CG1-CB 4.04Å; L32-A40 HydrophobicContact CD2-CB 3.99Å; V35-A40 HydrophobicContact CG2-CB 4.05Å; G36-A40 WeakPolarHBondContact O-CB 3.39Å; G36-A40 PolarHBondContact O-N 3.45Å; G36-A40 VanDerWaalsContact O-N 3.1Å; A40-R43 PolarHBondContact O-N 2.57Å; A40-F44 PolarHBondContact O-N 3.46Å
41E97.3Very high95.9Very high41 Ų4145.1 Ų45.119%0.19226%0.26CS..Hα-helixtrans-64-44.1175-176.760.7-162.800111.8R23 L27 P37 E39 R43 F44 Q45R23-E41 IonicContact CZ-OE1 3.4Å; R23-E41 IonicContact CZ-OE2 2.98Å; R23-E41 IonicContact NE-OE2 3.88Å; R23-E41 VanDerWaalsContact NH1-CD 3.25Å; R23-E41 IonicContact NH1-OE1 2.71Å; R23-E41 PolarHBondContact NH1-OE1 3.42Å; R23-E41 IonicContact NH1-OE2 2.99Å; R23-E41 PolarHBondContact NH1-OE2 3.33Å; R23-E41 IonicContact NH2-OE1 3.28Å; R23-E41 PolarHBondContact NH2-OE1 2.96Å; R23-E41 IonicContact NH2-OE2 2.75Å; R23-E41 PolarHBondContact NH2-OE2 3.28Å; L27-E41 WeakPolarHBondContact CD2-OE2 3.47Å; P37-E41 VanDerWaalsContact O-CB 3.32Å; P37-E41 WeakPolarHBondContact O-CB 3.41Å; P37-E41 PolarHBondContact O-N 3.31Å; E39-E41 VanDerWaalsContact C-N 3.33Å; E39-E41 PolarHBondContact O-N 2.87Å; E41-R43 PolarHBondContact O-N 2.8Å; E41-F44 PolarHBondContact O-N 2.9Å; E41-Q45 HydrophobicContact CG-CG 4.43Å; E41-Q45 WeakPolarHBondContact O-CG 3.48Å; E41-Q45 PolarHBondContact O-N 2.64Å; E41-Q45 PolarHBondContact OE1-NE2 3.38Å
42S95.2Very high95.8Very high46 Ų4644.5 Ų44.532%0.32226%0.256SS..Hα-helixtrans-55.6-49.2176.3178.90000111.4Q38 E39 F44 Q45 K46Q38-S42 WeakPolarHBondContact O-CB 3.41Å; Q38-S42 PolarHBondContact O-N 3.36Å; E39-S42 WeakPolarHBondContact O-CB 3.49Å; E39-S42 PolarHBondContact O-N 3.09Å; S42-F44 PolarHBondContact O-N 3.33Å; S42-Q45 PolarHBondContact O-N 2.92Å; S42-K46 WeakPolarHBondContact O-CB 3.33Å; S42-K46 WeakPolarHBondContact O-CG 3.33Å; S42-K46 PolarHBondContact O-N 2.92Å
43R95Very high95.7Very high78 Ų7841.9 Ų41.929%0.29424%0.242SC..Hα-helixtrans-60.2-43.9176.5-70176.5-171.6-167.63.5112.3E39 A40 E41 Q45 K46 L47 E435 L436E39-R43 WeakPolarHBondContact O-CG 3.42Å; E39-R43 PolarHBondContact O-N 3.47Å; E39-R43 IonicContact OE1-CZ 2.73Å; E39-R43 IonicContact OE1-NE 2.8Å; E39-R43 PolarHBondContact OE1-NE 2.93Å; E39-R43 IonicContact OE1-NH2 3.31Å; E39-R43 PolarHBondContact OE1-NH2 3.1Å; A40-R43 PolarHBondContact O-N 2.57Å; E41-R43 PolarHBondContact O-N 2.8Å; R43-Q45 PolarHBondContact O-N 3.22Å; R43-K46 PolarHBondContact O-N 3.48Å; R43-L47 WeakPolarHBondContact O-CB 3.37Å; R43-L47 PolarHBondContact O-N 2.99Å; R43-E435 HydrophobicContact CB-CG 4.43Å; R43-L436 HydrophobicContact CG-CD2 4.31Å
44F96.8Very high95.5Very high1 Ų137.9 Ų37.90%0.00421%0.209CC..Hα-helixtrans-62.4-42.3176.9178.9-117.6000112.1T19 L22 R23 F26 L27 A40 E41 S42 L47 L48T19-F44 HydrophobicContact CG2-CZ 4.24Å; L22-F44 HydrophobicContact CB-CE2 3.77Å; L22-F44 HydrophobicContact CB-CZ 4.25Å; R23-F44 HydrophobicContact CB-CD1 4.3Å; R23-F44 HydrophobicContact CB-CE1 3.68Å; R23-F44 HydrophobicContact CB-CE2 4.48Å; R23-F44 HydrophobicContact CB-CZ 3.78Å; R23-F44 HydrophobicContact CG-CD1 4.14Å; R23-F44 HydrophobicContact CG-CE1 3.9Å; R23-F44 HydrophobicContact CG-CZ 4.48Å; F26-F44 HydrophobicContact CB-CB 4.14Å; F26-F44 HydrophobicContact CB-CD2 3.94Å; F26-F44 HydrophobicContact CB-CG 4.33Å; F26-F44 HydrophobicContact CD2-CD2 4.17Å; F26-F44 HydrophobicContact CG-CD2 4.07Å; L27-F44 HydrophobicContact CD1-CB 3.98Å; L27-F44 HydrophobicContact CD1-CG 4.33Å; A40-F44 PolarHBondContact O-N 3.46Å; E41-F44 PolarHBondContact O-N 2.9Å; S42-F44 PolarHBondContact O-N 3.33Å; F44-L47 WeakPolarHBondContact O-CB 3.49Å; F44-L47 PolarHBondContact O-N 2.81Å; F44-L48 HydrophobicContact CD1-CD1 4.46Å; F44-L48 HydrophobicContact CE1-CD1 3.83Å; F44-L48 HydrophobicContact CE2-CD1 4.3Å; F44-L48 HydrophobicContact CE2-CD2 4.22Å; F44-L48 HydrophobicContact CE2-CG 4.2Å; F44-L48 HydrophobicContact CZ-CD1 3.75Å; F44-L48 HydrophobicContact CZ-CD2 4.29Å; F44-L48 HydrophobicContact CZ-CG 4.16Å; F44-L48 WeakPolarHBondContact O-CG 3.44Å; F44-L48 PolarHBondContact O-N 3.21Å; F44-L48 VanDerWaalsContact O-N 3.12Å
45Q95.9Very high95.4Very high54 Ų5435.2 Ų35.225%0.25219%0.186SC..Hα-helixtrans-68.1-36.6176.5-64.1-56.6-32.600112.5E41 S42 R43 L48 A49E41-Q45 HydrophobicContact CG-CG 4.43Å; E41-Q45 WeakPolarHBondContact O-CG 3.48Å; E41-Q45 PolarHBondContact O-N 2.64Å; E41-Q45 PolarHBondContact OE1-NE2 3.38Å; S42-Q45 PolarHBondContact O-N 2.92Å; R43-Q45 PolarHBondContact O-N 3.22Å; Q45-L48 PolarHBondContact O-N 2.98Å; Q45-A49 PolarHBondContact O-N 3.08Å; Q45-A49 VanDerWaalsContact O-N 3.13Å
46K94.9Very high95.2Very high67 Ų6733.8 Ų33.829%0.29118%0.179SC..Hα-helixtrans-62.9-43172.4-75.8-177.7-179.6-170.30111.5S42 R43 L48 A49 C50 E435 W438S42-K46 WeakPolarHBondContact O-CB 3.33Å; S42-K46 WeakPolarHBondContact O-CG 3.33Å; S42-K46 PolarHBondContact O-N 2.92Å; R43-K46 PolarHBondContact O-N 3.48Å; K46-L48 PolarHBondContact O-N 3.45Å; K46-A49 PolarHBondContact O-N 2.87Å; K46-A49 VanDerWaalsContact O-N 3.16Å; K46-C50 WeakPolarHBondContact O-CB 3.17Å; K46-C50 PolarHBondContact O-N 2.81Å; K46-C50 PolarHBondContact O-SG 2.98Å; K46-E435 HydrophobicContact CB-CB 4.07Å; K46-E435 WeakPolarHBondContact CD-O 3.37Å; K46-W438 HydrophobicContact CB-CB 4.49Å
47L95.7Very high95Very high0 Ų033 Ų330%017%0.17CC..Hα-helixtrans-55.8-52.9174.8175.869.2000111.2F26 R43 F44 A49 C50 L51 V383 E435F26-L47 HydrophobicContact CD1-CD2 4.31Å; F26-L47 HydrophobicContact CD2-CD2 4.14Å; F26-L47 HydrophobicContact CE1-CD2 3.71Å; F26-L47 HydrophobicContact CE2-CD2 3.52Å; F26-L47 HydrophobicContact CZ-CD2 3.27Å; R43-L47 WeakPolarHBondContact O-CB 3.37Å; R43-L47 PolarHBondContact O-N 2.99Å; F44-L47 WeakPolarHBondContact O-CB 3.49Å; F44-L47 PolarHBondContact O-N 2.81Å; L47-A49 PolarHBondContact O-N 2.89Å; L47-C50 PolarHBondContact O-N 2.91Å; L47-C50 PolarHBondContact O-SG 2.71Å; L47-L51 HydrophobicContact CD1-CD1 4.07Å; L47-L51 HydrophobicContact CD1-CD2 4.41Å; L47-L51 HydrophobicContact CD1-CG 4.08Å; L47-L51 HydrophobicContact CG-CD1 4.03Å; L47-L51 HydrophobicContact CG-CG 4.42Å; L47-L51 WeakPolarHBondContact O-CB 3.16Å; L47-L51 VanDerWaalsContact O-CG 3.22Å; L47-L51 WeakPolarHBondContact O-CG 3.34Å; L47-L51 PolarHBondContact O-N 2.98Å; L47-V383 HydrophobicContact CD1-CG1 4.4Å; L47-V383 HydrophobicContact CD2-CG2 4.36Å; L47-E435 HydrophobicContact CB-CB 3.8Å; L47-E435 HydrophobicContact CB-CG 4.23Å
48L95.7Very high94.9Very high11 Ų1128.9 Ų28.96%0.05814%0.143CC..Hα-helixtrans-61.1-31.5-179.9-64.2-179.2000112.5K11 I12 L14 T19 F44 Q45 K46K11-L48 VanDerWaalsContact CA-O 3.31Å; K11-L48 WeakPolarHBondContact CA-O 3.41Å; K11-L48 HydrophobicContact CB-CB 4.06Å; K11-L48 HydrophobicContact CD-CB 4.11Å; K11-L48 HydrophobicContact CG-CB 4.09Å; I12-L48 HydrophobicContact CG2-CB 4.25Å; I12-L48 HydrophobicContact CG2-CD2 3.73Å; I12-L48 PolarHBondContact N-O 3.29Å; L14-L48 HydrophobicContact CD1-CD2 3.88Å; T19-L48 HydrophobicContact CG2-CD1 4.45Å; F44-L48 HydrophobicContact CD1-CD1 4.46Å; F44-L48 HydrophobicContact CE1-CD1 3.83Å; F44-L48 HydrophobicContact CE2-CD1 4.3Å; F44-L48 HydrophobicContact CE2-CD2 4.22Å; F44-L48 HydrophobicContact CE2-CG 4.2Å; F44-L48 HydrophobicContact CZ-CD1 3.75Å; F44-L48 HydrophobicContact CZ-CD2 4.29Å; F44-L48 HydrophobicContact CZ-CG 4.16Å; F44-L48 WeakPolarHBondContact O-CG 3.44Å; F44-L48 PolarHBondContact O-N 3.21Å; F44-L48 VanDerWaalsContact O-N 3.12Å; Q45-L48 PolarHBondContact O-N 2.98Å; K46-L48 PolarHBondContact O-N 3.45Å
49A93.9Very high94.9Very high15 Ų1520.7 Ų20.712%0.12411%0.105CC..Hα-helixtrans-75.4-49.1176.800000112.2K11 Q45 K46 L47 L51 S52 H53K11-A49 HydrophobicContact CG-CB 4.21Å; Q45-A49 PolarHBondContact O-N 3.08Å; Q45-A49 VanDerWaalsContact O-N 3.13Å; K46-A49 PolarHBondContact O-N 2.87Å; K46-A49 VanDerWaalsContact O-N 3.16Å; L47-A49 PolarHBondContact O-N 2.89Å; A49-L51 VanDerWaalsContact C-N 3.27Å; A49-L51 PolarHBondContact O-N 2.96Å; A49-S52 PolarHBondContact O-N 2.8Å; A49-H53 PolarHBondContact O-CE1 2.94Å; A49-H53 PolarHBondContact O-ND1 3.28Å
50C93Very high94.9Very high0 Ų017.1 Ų17.10%09%0.088CC..Hα-helixtrans-66.2-31.3-176.274.30000112.1K46 L47 S52 H53 R340 W438K46-C50 WeakPolarHBondContact O-CB 3.17Å; K46-C50 PolarHBondContact O-N 2.81Å; K46-C50 PolarHBondContact O-SG 2.98Å; L47-C50 PolarHBondContact O-N 2.91Å; L47-C50 PolarHBondContact O-SG 2.71Å; C50-S52 PolarHBondContact O-N 3.15Å; C50-H53 PolarHBondContact O-N 2.76Å; C50-R340 PolarHBondContact O-NE 2.71Å; C50-W438 HydrophobicContact CB-CB 4.16Å; C50-W438 HydrophobicContact CB-CD2 3.29Å; C50-W438 HydrophobicContact CB-CE3 3.34Å; C50-W438 HydrophobicContact CB-CG 3.67Å; C50-W438 HydrophobicContact CB-CH2 4.42Å; C50-W438 HydrophobicContact CB-CZ2 4.35Å; C50-W438 HydrophobicContact CB-CZ3 3.95Å
51L95.4Very high95Very high2 Ų217.1 Ų17.11%0.019%0.088CC..Hα-helixtrans-57.4-36.3179-76.2174.6000112.6I12 L47 A49 H53 L337 R340 P341 N342I12-L51 HydrophobicContact CB-CB 4.23Å; I12-L51 HydrophobicContact CD1-CB 4.39Å; I12-L51 HydrophobicContact CD1-CD1 4.42Å; I12-L51 HydrophobicContact CG2-CB 4.15Å; I12-L51 HydrophobicContact CG2-CD1 4.1Å; L47-L51 HydrophobicContact CD1-CD1 4.07Å; L47-L51 HydrophobicContact CD1-CD2 4.41Å; L47-L51 HydrophobicContact CD1-CG 4.08Å; L47-L51 HydrophobicContact CG-CD1 4.03Å; L47-L51 HydrophobicContact CG-CG 4.42Å; L47-L51 WeakPolarHBondContact O-CB 3.16Å; L47-L51 VanDerWaalsContact O-CG 3.22Å; L47-L51 WeakPolarHBondContact O-CG 3.34Å; L47-L51 PolarHBondContact O-N 2.98Å; A49-L51 VanDerWaalsContact C-N 3.27Å; A49-L51 PolarHBondContact O-N 2.96Å; L51-H53 PolarHBondContact O-N 3.01Å; L51-L337 WeakPolarHBondContact CD1-O 3.5Å; L51-L337 VanDerWaalsContact CD2-O 3.28Å; L51-L337 WeakPolarHBondContact CD2-O 3.47Å; L51-R340 HydrophobicContact CD2-CG 3.96Å; L51-P341 CarbonylContact O-C 3.55Å; L51-P341 WeakPolarHBondContact O-CA 3.47Å; L51-N342 CarbonylContact C-O 3.6Å; L51-N342 PolarHBondContact O-N 3.5Å
52S93.9Very high95Very high1 Ų115.2 Ų15.21%0.0078%0.079CC..THydrogen-bonded Turntrans-72.4-12.3177.2-61.40000114.7F9 P10 K11 I12 A49 C50 P341F9-S52 WeakPolarHBondContact CD2-O 3.18Å; P10-S52 WeakPolarHBondContact O-CB 3.34Å; P10-S52 PolarHBondContact O-OG 3.37Å; K11-S52 VanDerWaalsContact C-OG 3.27Å; I12-S52 WeakPolarHBondContact CA-OG 3.5Å; I12-S52 PolarHBondContact N-OG 2.95Å; A49-S52 PolarHBondContact O-N 2.8Å; C50-S52 PolarHBondContact O-N 3.15Å; S52-P341 WeakPolarHBondContact O-CB 3.46Å
53H94Very high95.1Very high1 Ų113 Ų131%0.0056%0.064CC..SBendtrans-105.5141.8-173.3-66.172.7000110.9S7 F9 A49 C50 L51 Y212 R340 W438 Q440S7-H53 PolarHBondContact OG-CE1 3Å; S7-H53 PolarHBondContact OG-NE2 3.45Å; F9-H53 AromaticContact CD2-CD2 3.86Å; F9-H53 AromaticContact CD2-NE2 3.94Å; A49-H53 PolarHBondContact O-CE1 2.94Å; A49-H53 PolarHBondContact O-ND1 3.28Å; C50-H53 PolarHBondContact O-N 2.76Å; L51-H53 PolarHBondContact O-N 3.01Å; H53-Y212 PolarHBondContact CD2-OH 3.28Å; H53-Y212 VanDerWaalsContact CD2-OH 3.31Å; H53-R340 PolarHBondContact O-NE 2.66Å; H53-R340 VanDerWaalsContact O-NE 3.09Å; H53-R340 PolarHBondContact O-NH2 3Å; H53-W438 HydrophobicContact CB-CH2 3.31Å; H53-W438 HydrophobicContact CB-CZ2 4.02Å; H53-W438 HydrophobicContact CB-CZ3 4.07Å; H53-W438 AromaticContact CD2-CH2 3.84Å; H53-W438 AromaticContact CD2-CZ2 3.93Å; H53-W438 AromaticContact CG-CH2 3.44Å; H53-W438 VanDerWaalsContact CG-CH2 3.44Å; H53-W438 AromaticContact CG-CZ2 3.64Å; H53-W438 AromaticContact ND1-CH2 3.99Å; H53-W438 AromaticContact ND1-CZ2 3.76Å; H53-Q440 PolarHBondContact NE2-NE2 3.16Å
54P94.3Very high95Very high5 Ų511.9 Ų11.93%0.0327%0.066CC..  trans-64.3150.8174.728.2-33.4000110.1Y212 R340 P341P54-Y212 HydrophobicContact CG-CD1 3.38Å; P54-Y212 HydrophobicContact CG-CD2 3.92Å; P54-Y212 HydrophobicContact CG-CE1 3.62Å; P54-Y212 HydrophobicContact CG-CE2 4.17Å; P54-Y212 HydrophobicContact CG-CG 3.53Å; P54-R340 PolarHBondContact O-NH2 3.09Å; P54-P341 HydrophobicContact CB-CB 4.47Å; P54-P341 HydrophobicContact CB-CG 4.09Å
55P94Very high94.9Very high5 Ų514.3 Ų14.33%0.0328%0.077CC..  trans-54.9142.2165.4-25.134.9000110.8S57 R340 D454 I456P55-S57 PolarHBondContact O-N 3.49Å; P55-R340 HydrophobicContact CG-CB 4.09Å; P55-D454 WeakPolarHBondContact CB-O 3.33Å; P55-I456 HydrophobicContact CG-CG2 4.36Å
56S91.2Very high94.9Very high20 Ų2015.2 Ų15.214%0.148%0.083CC..SBendtrans-67.2-3.6178.955.70000114.7V110 D454S56-V110 PolarHBondContact O-N 2.89Å; S56-D454 WeakPolarHBondContact CA-OD2 3.17Å; S56-D454 WeakPolarHBondContact CB-OD2 3.31Å; S56-D454 PolarHBondContact N-OD2 3.23Å; S56-D454 PolarHBondContact OG-OD2 2.93Å
57S92.5Very high94.9Very high8 Ų812.9 Ų12.96%0.0568%0.076CC..EExtended strand (participates in β ladder)trans-136.1146.9172.261.90000112.5P55 L108 R135 A451P55-S57 PolarHBondContact O-N 3.49Å; S57-L108 CarbonylContact C-O 3.56Å; S57-L108 VanDerWaalsContact CA-O 3.23Å; S57-L108 WeakPolarHBondContact CA-O 3.36Å; S57-L108 WeakPolarHBondContact CB-O 3.4Å; S57-R135 PolarHBondContact O-NH1 3.44Å; S57-R135 VanDerWaalsContact O-NH1 3.13Å; S57-A451 WeakPolarHBondContact OG-CB 3.32Å
58T94.9Very high95Very high1 Ų116.8 Ų16.81%0.00610%0.101CC..EExtended strand (participates in β ladder)trans-93.8122.6165.1-66.10000107.9V60 L108 S214 F217T58-V60 HydrophobicContact CG2-CG2 4.38Å; T58-L108 PolarHBondContact N-O 3.33Å; T58-L108 PolarHBondContact O-N 3.08Å; T58-S214 PolarHBondContact OG1-OG 3.4Å; T58-F217 HydrophobicContact CG2-CD2 4.35Å; T58-F217 HydrophobicContact CG2-CE2 3.67Å; T58-F217 HydrophobicContact CG2-CZ 4.24Å
59C96.2Very high95.1Very high3 Ų317.6 Ų17.62%0.0211%0.106CC..EExtended strand (participates in β ladder)trans-100.8129.7-180176.80000109.3V105 L107 Q228 L230C59-V105 VanDerWaalsContact SG-CG1 3.57Å; C59-L107 HydrophobicContact CB-CD2 4.46Å; C59-Q228 CarbonylContact C-O 3.56Å; C59-Q228 VanDerWaalsContact CB-O 3.28Å; C59-Q228 WeakPolarHBondContact CB-O 3.33Å; C59-Q228 PolarHBondContact O-N 3.43Å; C59-Q228 VanDerWaalsContact O-O 3.07Å; C59-Q228 PolarHBondContact SG-O 3.02Å; C59-L230 HydrophobicContact CB-CB 4.42Å
60V96.9Very high95.2Very high0 Ų020.8 Ų20.80%012%0.118CC..EExtended strand (participates in β ladder)trans-124.5124.1-179.6178.90000108T58 L106 L108 F217 V225T58-V60 HydrophobicContact CG2-CG2 4.38Å; V60-L106 HydrophobicContact CB-CB 4.4Å; V60-L106 PolarHBondContact N-O 3.47Å; V60-L106 PolarHBondContact O-N 3.41Å; V60-L108 HydrophobicContact CB-CD1 4.41Å; V60-L108 HydrophobicContact CG2-CD1 3.65Å; V60-F217 HydrophobicContact CG1-CE1 4.41Å; V60-F217 HydrophobicContact CG2-CD1 4.27Å; V60-F217 HydrophobicContact CG2-CE1 3.41Å; V60-F217 VanDerWaalsContact CG2-CE1 3.41Å; V60-F217 HydrophobicContact CG2-CE2 4.28Å; V60-F217 HydrophobicContact CG2-CZ 3.42Å; V60-F217 VanDerWaalsContact CG2-CZ 3.42Å; V60-V225 HydrophobicContact CG1-CB 3.54Å; V60-V225 HydrophobicContact CG1-CG1 3.89Å; V60-V225 HydrophobicContact CG1-CG2 4.38Å
61R97.9Very high95.4Very high1 Ų124.7 Ų24.70%0.00414%0.139CC..EExtended strand (participates in β ladder)trans-83.9124.8171.2-176177.159.678.50.3109.2D104 V225 F226 Q228 V233 H260R61-D104 CarbonylContact C-O 3.54Å; R61-D104 WeakPolarHBondContact CA-O 3.42Å; R61-V225 WeakPolarHBondContact O-CA 3Å; R61-F226 PolarHBondContact N-O 2.88Å; R61-F226 PolarHBondContact O-N 3.21Å; R61-Q228 HydrophobicContact CB-CB 4.38Å; R61-V233 HydrophobicContact CB-CG2 4.14Å; R61-V233 HydrophobicContact CG-CG1 4.39Å; R61-H260 VanDerWaalsContact CD-CD2 3.49Å; R61-H260 WeakPolarHBondContact CD-CD2 3.27Å; R61-H260 VanDerWaalsContact CD-CG 3.43Å
62A97.8Very high95.5Very high0 Ų024.6 Ų24.60%014%0.139CC..EExtended strand (participates in β ladder)trans-85.4142.8174.500000110.8T64 L69 I72 D104A62-T64 VanDerWaalsContact C-N 3.29Å; A62-T64 HydrophobicContact CB-CG2 4.22Å; A62-T64 PolarHBondContact O-N 3.47Å; A62-T64 VanDerWaalsContact O-N 3.11Å; A62-L69 HydrophobicContact CB-CD1 3.46Å; A62-L69 VanDerWaalsContact CB-CD1 3.46Å; A62-I72 HydrophobicContact CB-CD1 3.96Å; A62-I72 HydrophobicContact CB-CG2 4.09Å; A62-D104 PolarHBondContact N-O 3.42Å
63S96.5Very high95.6Very high0 Ų026.6 Ų26.60%015%0.146CC..  trans-8772176.7-60.40000109.7H65 L66 M224S63-H65 PolarHBondContact O-N 3.39Å; S63-H65 VanDerWaalsContact O-N 3.1Å; S63-L66 PolarHBondContact O-N 3.28Å; S63-M224 VanDerWaalsContact CB-O 3.29Å; S63-M224 WeakPolarHBondContact CB-O 3.2Å; S63-M224 PolarHBondContact N-O 3.27Å; S63-M224 PolarHBondContact OG-O 3.07Å; S63-M224 VanDerWaalsContact OG-O 3.11Å
64T94.1Very high95.7Very high55 Ų5530.9 Ų30.934%0.33717%0.168SC..THydrogen-bonded Turntrans-65.7-11.7-174.451.80000113.9A62 L66 A67 L69 D104A62-T64 VanDerWaalsContact C-N 3.29Å; A62-T64 HydrophobicContact CB-CG2 4.22Å; A62-T64 PolarHBondContact O-N 3.47Å; A62-T64 VanDerWaalsContact O-N 3.11Å; T64-L66 VanDerWaalsContact C-N 3.26Å; T64-A67 WeakPolarHBondContact CA-O 3.26Å; T64-L69 HydrophobicContact CG2-CB 4.46Å; T64-L69 HydrophobicContact CG2-CD1 4.49Å; T64-D104 HydrophobicContact CG2-CB 3.82Å
65H94.3Very high95.7Very high51 Ų5132.6 Ų32.624%0.23618%0.181CC..THydrogen-bonded Turntrans-71.8-18169.271.5-74.3000113.4S63 A263 L291 L293S63-H65 PolarHBondContact O-N 3.39Å; S63-H65 VanDerWaalsContact O-N 3.1Å; H65-A263 HydrophobicContact CB-CB 4.42Å; H65-L291 PolarHBondContact CE1-O 2.92Å; H65-L291 PolarHBondContact NE2-O 3.32Å; H65-L293 WeakPolarHBondContact NE2-CD2 3.48Å
66L95.3Very high95.8Very high74 Ų7432.4 Ų32.439%0.38718%0.179SC..THydrogen-bonded Turntrans-99.5-38.1178.2-60.5179.2000113.1S63 T64 S223S63-L66 PolarHBondContact O-N 3.28Å; T64-L66 VanDerWaalsContact C-N 3.26Å; L66-S223 WeakPolarHBondContact CD1-O 3.41Å
67A96Very high95.8Very high18 Ų1833.2 Ų33.215%0.14918%0.181CC..SBendtrans-155.3154.9-177.600000111.7T64 I72T64-A67 WeakPolarHBondContact CA-O 3.26Å; A67-I72 HydrophobicContact CB-CD1 4.21Å; A67-I72 HydrophobicContact CB-CG1 3.92Å; A67-I72 WeakPolarHBondContact O-CD1 3.18Å
68P97.1Very high95.8Very high81 Ų8138.1 Ų38.153%0.52620%0.203SC..  trans-54.5147.8171.4-24.934.4000113.1E70 D71 I72P68-E70 VanDerWaalsContact C-N 3.27Å; P68-E70 PolarHBondContact O-N 3.28Å; P68-D71 WeakPolarHBondContact CD-OD2 3.42Å; P68-D71 WeakPolarHBondContact CG-OD2 3.37Å; P68-D71 PolarHBondContact O-N 3.01Å; P68-D71 VanDerWaalsContact O-N 3.13Å; P68-I72 PolarHBondContact O-N 3.11Å; P68-I72 VanDerWaalsContact O-N 3.16Å
69L96.9Very high95.6Very high29 Ų2940.7 Ų40.715%0.15222%0.215CC..Hα-helixtrans-54.8-41.9-178.3-176.370000112.7A62 T64 I72 R73 P98 T103 L106A62-L69 HydrophobicContact CB-CD1 3.46Å; A62-L69 VanDerWaalsContact CB-CD1 3.46Å; T64-L69 HydrophobicContact CG2-CB 4.46Å; T64-L69 HydrophobicContact CG2-CD1 4.49Å; L69-I72 PolarHBondContact O-N 2.81Å; L69-R73 WeakPolarHBondContact O-CB 3.38Å; L69-R73 PolarHBondContact O-N 3.41Å; L69-P98 HydrophobicContact CD2-CB 3.77Å; L69-T103 WeakPolarHBondContact CD2-O 3.41Å; L69-L106 HydrophobicContact CD1-CD1 4.49Å; L69-L106 HydrophobicContact CD1-CD2 3.79Å; L69-L106 HydrophobicContact CD1-CG 3.9Å; L69-L106 HydrophobicContact CD2-CD2 4.38Å; L69-L106 HydrophobicContact CG-CD2 4.02Å
70E96.6Very high95.3Very high82 Ų8240.7 Ų40.738%0.38322%0.215SC..Hα-helixtrans-65.2-38.1-179.5-72.4-57.8133.600112.6P68 R73 L74P68-E70 VanDerWaalsContact C-N 3.27Å; P68-E70 PolarHBondContact O-N 3.28Å; E70-R73 WeakPolarHBondContact O-CB 3.38Å; E70-R73 PolarHBondContact O-N 2.99Å; E70-R73 IonicContact OE1-NE 2.69Å; E70-R73 IonicContact OE2-CZ 2.74Å; E70-R73 IonicContact OE2-NE 3.37Å; E70-R73 PolarHBondContact OE2-NE 3.21Å; E70-R73 IonicContact OE2-NH2 2.68Å; E70-R73 PolarHBondContact OE2-NH2 3.2Å; E70-L74 WeakPolarHBondContact O-CG 3.45Å; E70-L74 PolarHBondContact O-N 2.88Å
71D97.2Very high94.8Very high82 Ų8246 Ų4644%0.43924%0.238SC..Hα-helixtrans-68.4-39.5177.6-63.5-19.1000111P68 R73 L74 S75P68-D71 WeakPolarHBondContact CD-OD2 3.42Å; P68-D71 WeakPolarHBondContact CG-OD2 3.37Å; P68-D71 PolarHBondContact O-N 3.01Å; P68-D71 VanDerWaalsContact O-N 3.13Å; D71-R73 VanDerWaalsContact C-N 3.35Å; D71-L74 PolarHBondContact O-N 2.93Å; D71-S75 WeakPolarHBondContact O-CB 3.44Å; D71-S75 PolarHBondContact O-N 3.1Å; D71-S75 PolarHBondContact O-OG 3.41Å
72I97.4Very high94.1Very high0 Ų051.2 Ų51.20%026%0.26CS..Hα-helixtrans-64.5-41.9173.6-63.1172.7000110.1A62 A67 P68 L69 S75 L76 L106 M224 V225A62-I72 HydrophobicContact CB-CD1 3.96Å; A62-I72 HydrophobicContact CB-CG2 4.09Å; A67-I72 HydrophobicContact CB-CD1 4.21Å; A67-I72 HydrophobicContact CB-CG1 3.92Å; A67-I72 WeakPolarHBondContact O-CD1 3.18Å; P68-I72 PolarHBondContact O-N 3.11Å; P68-I72 VanDerWaalsContact O-N 3.16Å; L69-I72 PolarHBondContact O-N 2.81Å; I72-S75 PolarHBondContact O-N 2.89Å; I72-L76 VanDerWaalsContact O-CB 3.27Å; I72-L76 WeakPolarHBondContact O-CB 3.33Å; I72-L76 PolarHBondContact O-N 3.09Å; I72-L106 HydrophobicContact CG2-CD1 4.35Å; I72-M224 HydrophobicContact CG1-CB 4.4Å; I72-M224 HydrophobicContact CG2-CB 4.25Å; I72-V225 HydrophobicContact CG2-CG1 3.75Å
73R96.8Very high93Very high43 Ų4355.1 Ų55.116%0.16228%0.279CS..Hα-helixtrans-59.7-49.9176.2-174.6-173.462.870.15.3111.2L69 E70 D71 S75 L76 E77 I96 L106L69-R73 WeakPolarHBondContact O-CB 3.38Å; L69-R73 PolarHBondContact O-N 3.41Å; E70-R73 WeakPolarHBondContact O-CB 3.38Å; E70-R73 PolarHBondContact O-N 2.99Å; E70-R73 IonicContact OE1-NE 2.69Å; E70-R73 IonicContact OE2-CZ 2.74Å; E70-R73 IonicContact OE2-NE 3.37Å; E70-R73 PolarHBondContact OE2-NE 3.21Å; E70-R73 IonicContact OE2-NH2 2.68Å; E70-R73 PolarHBondContact OE2-NH2 3.2Å; D71-R73 VanDerWaalsContact C-N 3.35Å; R73-S75 PolarHBondContact O-N 3.39Å; R73-L76 PolarHBondContact O-N 3.08Å; R73-E77 IonicContact CZ-OE1 3.1Å; R73-E77 IonicContact NH1-OE1 3.22Å; R73-E77 PolarHBondContact NH1-OE1 3.26Å; R73-E77 IonicContact NH1-OE2 3.47Å; R73-E77 PolarHBondContact NH1-OE2 2.98Å; R73-E77 WeakPolarHBondContact O-CG 3.44Å; R73-E77 PolarHBondContact O-N 3.42Å; R73-I96 HydrophobicContact CG-CB 4.14Å; R73-I96 HydrophobicContact CG-CG2 3.91Å; R73-L106 HydrophobicContact CB-CD1 4.07Å; R73-L106 HydrophobicContact CB-CD2 3.99Å; R73-L106 HydrophobicContact CG-CD1 4.49Å; R73-L106 HydrophobicContact CG-CD2 4.1Å
74L95.4Very high91.7Very high90 Ų9057.6 Ų57.647%0.47129%0.289SS..Hα-helixtrans-61.8-43.4179.1-70.9173.2000111.8E70 D71 L76 E77 E78E70-L74 WeakPolarHBondContact O-CG 3.45Å; E70-L74 PolarHBondContact O-N 2.88Å; D71-L74 PolarHBondContact O-N 2.93Å; L74-L76 VanDerWaalsContact C-N 3.31Å; L74-L76 PolarHBondContact O-N 3.46Å; L74-E77 PolarHBondContact O-N 3.05Å; L74-E78 PolarHBondContact O-N 2.92Å
75S95.4Very high89.7Confident42 Ų4260.5 Ų60.529%0.29431%0.311SS..Hα-helixtrans-61.3-42.1175.5-57.80000111.4D71 I72 R73 E78 E79D71-S75 WeakPolarHBondContact O-CB 3.44Å; D71-S75 PolarHBondContact O-N 3.1Å; D71-S75 PolarHBondContact O-OG 3.41Å; I72-S75 PolarHBondContact O-N 2.89Å; R73-S75 PolarHBondContact O-N 3.39Å; S75-E78 PolarHBondContact O-N 2.87Å; S75-E79 WeakPolarHBondContact O-CB 3.4Å; S75-E79 PolarHBondContact O-N 3.44Å
76L94.9Very high87.6Confident0 Ų061.3 Ų61.30%033%0.333CS..Hα-helixtrans-66.5-40.8178.6-178.361.4000111.2I72 R73 L74 E78 E79 L80 I96 L106 F217 V220 L221 V225I72-L76 VanDerWaalsContact O-CB 3.27Å; I72-L76 WeakPolarHBondContact O-CB 3.33Å; I72-L76 PolarHBondContact O-N 3.09Å; R73-L76 PolarHBondContact O-N 3.08Å; L74-L76 VanDerWaalsContact C-N 3.31Å; L74-L76 PolarHBondContact O-N 3.46Å; L76-E78 VanDerWaalsContact C-N 3.33Å; L76-E78 PolarHBondContact O-N 3.42Å; L76-E79 PolarHBondContact O-N 3.12Å; L76-L80 HydrophobicContact CD1-CD1 4.11Å; L76-L80 HydrophobicContact CD1-CG 4.02Å; L76-L80 HydrophobicContact CG-CD1 4.12Å; L76-L80 HydrophobicContact CG-CG 4.37Å; L76-L80 WeakPolarHBondContact O-CB 3.33Å; L76-L80 VanDerWaalsContact O-CG 3.27Å; L76-L80 WeakPolarHBondContact O-CG 3.13Å; L76-L80 PolarHBondContact O-N 3.16Å; L76-I96 HydrophobicContact CB-CD1 4.14Å; L76-I96 HydrophobicContact CD2-CD1 3.76Å; L76-I96 HydrophobicContact CD2-CG2 4.43Å; L76-I96 HydrophobicContact CG-CD1 3.64Å; L76-L106 HydrophobicContact CD2-CD1 4.07Å; L76-F217 HydrophobicContact CD1-CE1 3.98Å; L76-F217 HydrophobicContact CD2-CE1 4.36Å; L76-V220 HydrophobicContact CD1-CG1 3.43Å; L76-V220 VanDerWaalsContact CD1-CG1 3.43Å; L76-L221 HydrophobicContact CB-CD1 3.98Å; L76-L221 HydrophobicContact CD1-CD1 4.35Å; L76-V225 HydrophobicContact CD2-CG1 4.49Å
77E92.7Very high85.5Confident38 Ų3860.6 Ų60.618%0.17833%0.334CS..Hα-helixtrans-60.7-42.2174.1-75.4178.4-178.700112.2R73 L74 K81 I96R73-E77 IonicContact CZ-OE1 3.1Å; R73-E77 IonicContact NH1-OE1 3.22Å; R73-E77 PolarHBondContact NH1-OE1 3.26Å; R73-E77 IonicContact NH1-OE2 3.47Å; R73-E77 PolarHBondContact NH1-OE2 2.98Å; R73-E77 WeakPolarHBondContact O-CG 3.44Å; R73-E77 PolarHBondContact O-N 3.42Å; L74-E77 PolarHBondContact O-N 3.05Å; E77-K81 WeakPolarHBondContact O-CB 3.34Å; E77-K81 WeakPolarHBondContact O-CD 3.36Å; E77-K81 WeakPolarHBondContact O-CG 3.41Å; E77-K81 PolarHBondContact O-N 2.86Å; E77-I96 HydrophobicContact CB-CD1 4.43Å; E77-I96 HydrophobicContact CG-CB 4.29Å; E77-I96 HydrophobicContact CG-CD1 3.55Å; E77-I96 HydrophobicContact CG-CG1 3.87Å
78E91.7Very high82.8Confident110 Ų11066.3 Ų66.351%0.51437%0.373SS..Hα-helixtrans-64.1-45.6176.8-163.8-165.2133.100111.5L74 S75 L76 K81 K82L74-E78 PolarHBondContact O-N 2.92Å; S75-E78 PolarHBondContact O-N 2.87Å; L76-E78 VanDerWaalsContact C-N 3.33Å; L76-E78 PolarHBondContact O-N 3.42Å; E78-K81 WeakPolarHBondContact O-CB 3.32Å; E78-K81 PolarHBondContact O-N 3.36Å; E78-K82 WeakPolarHBondContact O-CG 3.48Å; E78-K82 PolarHBondContact O-N 3.05Å; E78-K82 WeakPolarHBondContact OE1-CE 3.23Å; E78-K82 IonicContact OE1-NZ 3.18Å; E78-K82 PolarHBondContact OE1-NZ 3.19Å
79E91.1Very high80.5Confident56 Ų5665.5 Ų65.526%0.26237%0.373SS..Hα-helixtrans-67-41.3-178.5-164.856.5-149.800112.1S75 L76 K81 K82 Q83 V220 L221S75-E79 WeakPolarHBondContact O-CB 3.4Å; S75-E79 PolarHBondContact O-N 3.44Å; L76-E79 PolarHBondContact O-N 3.12Å; E79-K81 VanDerWaalsContact C-N 3.3Å; E79-K81 PolarHBondContact O-N 3.28Å; E79-K82 WeakPolarHBondContact O-CB 3.38Å; E79-K82 PolarHBondContact O-N 2.92Å; E79-K82 IonicContact OE2-NZ 2.93Å; E79-K82 PolarHBondContact OE2-NZ 2.82Å; E79-Q83 PolarHBondContact O-N 3.44Å; E79-V220 HydrophobicContact CB-CG1 4.28Å; E79-V220 HydrophobicContact CG-CG1 3.94Å; E79-L221 HydrophobicContact CB-CG 4.39Å
80L88.9Confident78Confident3 Ų374 Ų742%0.01641%0.412CS..Hα-helixtrans-68.9-27.6174.9-66-175.7000112.6L76 V94 I96 L108 P215 V220L76-L80 HydrophobicContact CD1-CD1 4.11Å; L76-L80 HydrophobicContact CD1-CG 4.02Å; L76-L80 HydrophobicContact CG-CD1 4.12Å; L76-L80 HydrophobicContact CG-CG 4.37Å; L76-L80 WeakPolarHBondContact O-CB 3.33Å; L76-L80 VanDerWaalsContact O-CG 3.27Å; L76-L80 WeakPolarHBondContact O-CG 3.13Å; L76-L80 PolarHBondContact O-N 3.16Å; L80-V94 HydrophobicContact CB-CG2 4.28Å; L80-V94 HydrophobicContact CD1-CG1 4.02Å; L80-I96 HydrophobicContact CD1-CD1 4.01Å; L80-L108 HydrophobicContact CD1-CD2 3.67Å; L80-P215 HydrophobicContact CD1-CB 4.03Å; L80-P215 HydrophobicContact CD1-CG 4.09Å; L80-P215 HydrophobicContact CD2-CB 3.81Å; L80-V220 HydrophobicContact CD2-CG1 4.29Å; L80-V220 HydrophobicContact CD2-CG2 4.31Å
81K86.3Confident76Confident112 Ų11273.7 Ų73.749%0.48741%0.411SS..Hα-helixtrans-67.1-40.3170.4-77.5167.3-174.1170.70111.4E77 E78 E79 Q83 K84 C85E77-K81 WeakPolarHBondContact O-CB 3.34Å; E77-K81 WeakPolarHBondContact O-CD 3.36Å; E77-K81 WeakPolarHBondContact O-CG 3.41Å; E77-K81 PolarHBondContact O-N 2.86Å; E78-K81 WeakPolarHBondContact O-CB 3.32Å; E78-K81 PolarHBondContact O-N 3.36Å; E79-K81 VanDerWaalsContact C-N 3.3Å; E79-K81 PolarHBondContact O-N 3.28Å; K81-Q83 VanDerWaalsContact C-N 3.31Å; K81-Q83 PolarHBondContact O-N 2.95Å; K81-K84 WeakPolarHBondContact O-CB 3.32Å; K81-K84 PolarHBondContact O-N 3.44Å; K81-C85 PolarHBondContact O-N 3.28Å
82K83.9Confident74Confident109 Ų10974.8 Ų74.847%0.47442%0.423SS..Hα-helixtrans-60.4-39.5176.9-68.9169.4-169.4157.90112.2E78 E79 K84 C85E78-K82 WeakPolarHBondContact O-CG 3.48Å; E78-K82 PolarHBondContact O-N 3.05Å; E78-K82 WeakPolarHBondContact OE1-CE 3.23Å; E78-K82 IonicContact OE1-NZ 3.18Å; E78-K82 PolarHBondContact OE1-NZ 3.19Å; E79-K82 WeakPolarHBondContact O-CB 3.38Å; E79-K82 PolarHBondContact O-N 2.92Å; E79-K82 IonicContact OE2-NZ 2.93Å; E79-K82 PolarHBondContact OE2-NZ 2.82Å; K82-K84 PolarHBondContact O-N 3.26Å; K82-C85 PolarHBondContact O-N 3.47Å
83Q75.1Confident72.4Confident83 Ų8379.4 Ų79.439%0.38846%0.455SS..Hα-helixtrans-61.1-29.7174.9-68.6-170.9-0.600113.1E79 K81 S216E79-Q83 PolarHBondContact O-N 3.44Å; K81-Q83 VanDerWaalsContact C-N 3.31Å; K81-Q83 PolarHBondContact O-N 2.95Å; Q83-S216 PolarHBondContact NE2-O 2.69Å; Q83-S216 VanDerWaalsContact NE2-O 3.12Å; Q83-S216 PolarHBondContact OE1-O 3.42Å
84K68.4Low71.2Confident51 Ų5178.6 Ų78.622%0.22246%0.455CS..Hα-helixtrans-81.9-24.8-179-69.8-179.6169.9-167.60114.1K81 K82 G86 S87 P92 V94K81-K84 WeakPolarHBondContact O-CB 3.32Å; K81-K84 PolarHBondContact O-N 3.44Å; K82-K84 PolarHBondContact O-N 3.26Å; K84-G86 PolarHBondContact O-N 3.08Å; K84-S87 PolarHBondContact O-N 3.45Å; K84-S87 PolarHBondContact O-OG 3.08Å; K84-S87 VanDerWaalsContact O-OG 3.06Å; K84-P92 PolarHBondContact NZ-O 3.15Å; K84-V94 HydrophobicContact CD-CG2 4.35Å
85C51.8Low70.8Confident116 Ų11680.3 Ų80.378%0.78446%0.46SS*.THydrogen-bonded Turntrans-64.6-2.5-178.8-75.30000114.8K81 K82K81-C85 PolarHBondContact O-N 3.28Å; K82-C85 PolarHBondContact O-N 3.47Å
86G50.2Low70.7Confident69 Ų6978.8 Ų78.871%0.71145%0.449SS*.THydrogen-bonded Turntrans-86.7-5.7169.400000115.5K84K84-G86 PolarHBondContact O-N 3.08Å
87S50.8Low70.6Confident59 Ų5980 Ų8041%0.41346%0.459SS..SBendtrans-115.8127.6177.2500000111.3K84 A89K84-S87 PolarHBondContact O-N 3.45Å; K84-S87 PolarHBondContact O-OG 3.08Å; K84-S87 VanDerWaalsContact O-OG 3.06Å; S87-A89 PolarHBondContact O-N 3.36Å
88S41.3Very low70.8Confident138 Ų13881 Ų8197%0.96547%0.468SS*.SBendtrans-76.328.2-170.758.80000115.2
89A46.8Very low71.1Confident64 Ų6476 Ų7653%0.52945%0.445SS..SBendtrans-127.2133.5-179.500000110.5S87 E91S87-A89 PolarHBondContact O-N 3.36Å; A89-E91 PolarHBondContact O-N 2.91Å
90E45.7Very low71.2Confident208 Ų20878 Ų7897%0.97246%0.463SS*.  trans-62.183.6169.9-71.6-177152.200109.7
91E54.3Low71.5Confident74 Ų7483.6 Ų83.635%0.34648%0.483SS..PPolyproline II helixtrans-82.8143.9173.2-66.8-166.2150.300110.7A89 S93 K213A89-E91 PolarHBondContact O-N 2.91Å; E91-S93 PolarHBondContact O-N 3.5Å; E91-K213 IonicContact OE1-NZ 2.63Å; E91-K213 PolarHBondContact OE1-NZ 2.93Å; E91-K213 WeakPolarHBondContact OE2-CE 3.32Å; E91-K213 IonicContact OE2-NZ 3.86Å; E91-K213 PolarHBondContact OE2-NZ 3.1Å
92P55.3Low72Confident106 Ų10678.3 Ų78.369%0.68846%0.46SS*.PPolyproline II helixtrans-55.6143.2177.421.2-31.2000111.3K84 V94K84-P92 PolarHBondContact NZ-O 3.15Å; P92-V94 PolarHBondContact O-N 3.02Å
93S63.7Low72.5Confident96 Ų9678.1 Ų78.167%0.67147%0.469SS*.PPolyproline II helixtrans-51.3136.9175.351.40000110.8E91 Q95E91-S93 PolarHBondContact O-N 3.5Å; S93-Q95 PolarHBondContact O-N 3.32Å; S93-Q95 VanDerWaalsContact O-N 3.09Å
94V72Confident73.6Confident27 Ų2774.3 Ų74.316%0.16445%0.451CS..PPolyproline II helixtrans-62.7116.2173.9-176.20000107.7L80 K84 P92 I96 L108 P215L80-V94 HydrophobicContact CB-CG2 4.28Å; L80-V94 HydrophobicContact CD1-CG1 4.02Å; K84-V94 HydrophobicContact CD-CG2 4.35Å; P92-V94 PolarHBondContact O-N 3.02Å; V94-I96 HydrophobicContact CG1-CD1 4.49Å; V94-I96 HydrophobicContact CG1-CG1 4Å; V94-I96 PolarHBondContact O-N 3.48Å; V94-L108 HydrophobicContact CG1-CD2 3.76Å; V94-P215 HydrophobicContact CG1-CG 4.17Å
95Q85.7Confident75Confident125 Ų12571.9 Ų71.958%0.58444%0.44SS*.  trans-76114.6174.4-174.5178.311.700108.5S93 P109S93-Q95 PolarHBondContact O-N 3.32Å; S93-Q95 VanDerWaalsContact O-N 3.09Å; Q95-P109 HydrophobicContact CB-CG 4.22Å; Q95-P109 WeakPolarHBondContact O-CD 3.28Å
96I93.6Very high77.2Confident11 Ų1166.3 Ų66.36%0.05640%0.403CS..  trans-112.9120.7173.1-47.4-169.6000107.4R73 L76 E77 L80 V94 L106 L108R73-I96 HydrophobicContact CG-CB 4.14Å; R73-I96 HydrophobicContact CG-CG2 3.91Å; L76-I96 HydrophobicContact CB-CD1 4.14Å; L76-I96 HydrophobicContact CD2-CD1 3.76Å; L76-I96 HydrophobicContact CD2-CG2 4.43Å; L76-I96 HydrophobicContact CG-CD1 3.64Å; E77-I96 HydrophobicContact CB-CD1 4.43Å; E77-I96 HydrophobicContact CG-CB 4.29Å; E77-I96 HydrophobicContact CG-CD1 3.55Å; E77-I96 HydrophobicContact CG-CG1 3.87Å; L80-I96 HydrophobicContact CD1-CD1 4.01Å; V94-I96 HydrophobicContact CG1-CD1 4.49Å; V94-I96 HydrophobicContact CG1-CG1 4Å; V94-I96 PolarHBondContact O-N 3.48Å; I96-L106 HydrophobicContact CG2-CB 3.92Å; I96-L106 HydrophobicContact CG2-CD1 4.24Å; I96-L106 HydrophobicContact CG2-CD2 4.26Å; I96-L106 HydrophobicContact CG2-CG 4.37Å; I96-L108 HydrophobicContact CD1-CD2 4.19Å; I96-L108 HydrophobicContact CG1-CD2 4.12Å; I96-L108 HydrophobicContact CG1-CG 4.17Å; I96-L108 HydrophobicContact CG2-CD1 4.41Å; I96-L108 HydrophobicContact CG2-CG 4.35Å
97A94.2Very high79.4Confident25 Ų2563.1 Ų63.121%0.20737%0.369CS..EExtended strand (participates in β ladder)trans-120.3136-178.600000110.6L107 L447A97-L107 PolarHBondContact N-O 2.75Å; A97-L107 PolarHBondContact O-N 2.92Å; A97-L447 HydrophobicContact CB-CD2 4.13Å
98P96.7Very high81.5Confident58 Ų5860.3 Ų60.338%0.37735%0.35SS..EExtended strand (participates in β ladder)trans-66.8147.5169.829.5-34.1000110.6L69 L106L69-P98 HydrophobicContact CD2-CB 3.77Å; P98-L106 HydrophobicContact CB-CD2 4.41Å
99H96.8Very high83.9Confident7 Ų755.5 Ų55.53%0.03232%0.316CS..  trans-73.8131.3172.3-170.3-79.3000110.4R101 I102 V105 L107 D452H99-R101 VanDerWaalsContact C-N 3.3Å; H99-R101 PolarHBondContact ND1-N 2.89Å; H99-R101 VanDerWaalsContact ND1-N 3.13Å; H99-R101 PolarHBondContact O-N 2.94Å; H99-I102 HydrophobicContact CB-CB 4.24Å; H99-I102 PolarHBondContact ND1-N 2.91Å; H99-I102 VanDerWaalsContact ND1-N 3.14Å; H99-V105 HydrophobicContact CB-CB 3.73Å; H99-V105 HydrophobicContact CB-CG1 3.76Å; H99-V105 PolarHBondContact N-O 2.99Å; H99-L107 HydrophobicContact CB-CD1 4.39Å; H99-L107 HydrophobicContact CB-CG 4.42Å; H99-D452 IonicContact CE1-OD1 3.46Å; H99-D452 IonicContact NE2-OD1 2.93Å; H99-D452 PolarHBondContact NE2-OD1 2.81Å
100P94.4Very high86Confident97 Ų9753.2 Ų53.263%0.6330%0.295SS*.SBendtrans-68.6-25.5-171.626-35.3000114.3A448P100-A448 HydrophobicContact CG-CB 3.81Å
101R94.8Very high88Confident120 Ų12047.8 Ų47.845%0.45327%0.273SS..SBendtrans-113-6.6-176.1-59.5-171.9-73.6164.5-3.1114.9H99 H410 I411 D452H99-R101 VanDerWaalsContact C-N 3.3Å; H99-R101 PolarHBondContact ND1-N 2.89Å; H99-R101 VanDerWaalsContact ND1-N 3.13Å; H99-R101 PolarHBondContact O-N 2.94Å; R101-H410 PolarHBondContact NH1-O 2.95Å; R101-I411 HydrophobicContact CB-CD1 4.26Å; R101-I411 VanDerWaalsContact NH2-CD1 3.31Å; R101-D452 IonicContact CZ-OD2 2.9Å; R101-D452 IonicContact NE-OD2 3.69Å; R101-D452 IonicContact NH2-OD1 2.69Å; R101-D452 IonicContact NH2-OD2 2.64Å; R101-D452 PolarHBondContact NH2-OD2 3.29Å
102I96.7Very high89.5Confident1 Ų145.8 Ų45.81%0.00527%0.272CS..  trans-131.2107.1-173.7-59.2166.2000106.9H99 D104 V105 L230 V233 V234 H237 P409 I411H99-I102 HydrophobicContact CB-CB 4.24Å; H99-I102 PolarHBondContact ND1-N 2.91Å; H99-I102 VanDerWaalsContact ND1-N 3.14Å; I102-D104 WeakPolarHBondContact CG2-OD1 3.44Å; I102-D104 PolarHBondContact O-N 3.14Å; I102-V105 HydrophobicContact CB-CB 4.32Å; I102-V105 HydrophobicContact CB-CG2 4.13Å; I102-V105 HydrophobicContact CG2-CB 4.12Å; I102-V105 HydrophobicContact CG2-CG2 3.46Å; I102-V105 VanDerWaalsContact CG2-CG2 3.46Å; I102-V105 PolarHBondContact O-N 3.12Å; I102-L230 HydrophobicContact CD1-CD1 3.56Å; I102-L230 HydrophobicContact CD1-CG 4.25Å; I102-V233 HydrophobicContact CG2-CG1 4.2Å; I102-V234 HydrophobicContact CD1-CG2 3.58Å; I102-H237 WeakPolarHBondContact CG2-NE2 3.45Å; I102-P409 HydrophobicContact CG1-CG 4.07Å; I102-I411 HydrophobicContact CD1-CD1 4.2Å; I102-I411 HydrophobicContact CD1-CG1 4.1Å; I102-I411 HydrophobicContact CG1-CD1 4.45Å
103T94.9Very high91.1Very high106 Ų10643.6 Ų43.665%0.6526%0.257SS*.THydrogen-bonded Turntrans-74.4-8.8-160.150.40000114.9L69L69-T103 WeakPolarHBondContact CD2-O 3.41Å
104D97.9Very high92.4Very high2 Ų241.7 Ų41.71%0.01124%0.236CC..THydrogen-bonded Turntrans-122.423.1-178.558.33000112.3R61 A62 T64 I102 H237 H260R61-D104 CarbonylContact C-O 3.54Å; R61-D104 WeakPolarHBondContact CA-O 3.42Å; A62-D104 PolarHBondContact N-O 3.42Å; T64-D104 HydrophobicContact CG2-CB 3.82Å; I102-D104 WeakPolarHBondContact CG2-OD1 3.44Å; I102-D104 PolarHBondContact O-N 3.14Å; D104-H237 VanDerWaalsContact CG-NE2 3.31Å; D104-H237 IonicContact OD1-CD2 2.71Å; D104-H237 IonicContact OD1-CE1 2.79Å; D104-H237 IonicContact OD1-NE2 3.79Å; D104-H237 PolarHBondContact OD1-NE2 2.99Å; D104-H237 IonicContact OD2-CE1 2.74Å; D104-H237 IonicContact OD2-NE2 2.86Å; D104-H237 PolarHBondContact OD2-NE2 3.15Å; D104-H260 IonicContact OD1-NE2 3.54Å; D104-H260 IonicContact OD2-CD2 3.79Å; D104-H260 PolarHBondContact OD2-CD2 2.89Å; D104-H260 IonicContact OD2-CE1 3.76Å; D104-H260 IonicContact OD2-NE2 2.92Å; D104-H260 PolarHBondContact OD2-NE2 2.57Å
105V98.3Very high93.2Very high0 Ų045.8 Ų45.80%027%0.272CS..EExtended strand (participates in β ladder)trans-115.4131178.2171.60000111.8C59 H99 I102 L107 L230 V233C59-V105 VanDerWaalsContact SG-CG1 3.57Å; H99-V105 HydrophobicContact CB-CB 3.73Å; H99-V105 HydrophobicContact CB-CG1 3.76Å; H99-V105 PolarHBondContact N-O 2.99Å; I102-V105 HydrophobicContact CB-CB 4.32Å; I102-V105 HydrophobicContact CB-CG2 4.13Å; I102-V105 HydrophobicContact CG2-CB 4.12Å; I102-V105 HydrophobicContact CG2-CG2 3.46Å; I102-V105 VanDerWaalsContact CG2-CG2 3.46Å; I102-V105 PolarHBondContact O-N 3.12Å; V105-L107 HydrophobicContact CG1-CD2 3.77Å; V105-L107 HydrophobicContact CG1-CG 4.24Å; V105-L230 HydrophobicContact CG1-CD1 3.99Å; V105-L230 HydrophobicContact CG2-CD1 4.2Å; V105-V233 HydrophobicContact CG2-CB 4.11Å; V105-V233 HydrophobicContact CG2-CG1 3.61Å; V105-V233 HydrophobicContact CG2-CG2 4.25Å
106L97.8Very high93.5Very high0 Ų040.7 Ų40.70%025%0.25CC..EExtended strand (participates in β ladder)trans-108.1135.9165.1-62175.4000109.7V60 L69 I72 R73 L76 I96 P98V60-L106 HydrophobicContact CB-CB 4.4Å; V60-L106 PolarHBondContact N-O 3.47Å; V60-L106 PolarHBondContact O-N 3.41Å; L69-L106 HydrophobicContact CD1-CD1 4.49Å; L69-L106 HydrophobicContact CD1-CD2 3.79Å; L69-L106 HydrophobicContact CD1-CG 3.9Å; L69-L106 HydrophobicContact CD2-CD2 4.38Å; L69-L106 HydrophobicContact CG-CD2 4.02Å; I72-L106 HydrophobicContact CG2-CD1 4.35Å; R73-L106 HydrophobicContact CB-CD1 4.07Å; R73-L106 HydrophobicContact CB-CD2 3.99Å; R73-L106 HydrophobicContact CG-CD1 4.49Å; R73-L106 HydrophobicContact CG-CD2 4.1Å; L76-L106 HydrophobicContact CD2-CD1 4.07Å; I96-L106 HydrophobicContact CG2-CB 3.92Å; I96-L106 HydrophobicContact CG2-CD1 4.24Å; I96-L106 HydrophobicContact CG2-CD2 4.26Å; I96-L106 HydrophobicContact CG2-CG 4.37Å; P98-L106 HydrophobicContact CB-CD2 4.41Å
107L96.7Very high93.4Very high1 Ų148.2 Ų48.21%0.00528%0.284CS..EExtended strand (participates in β ladder)trans-111.3133.1179.9-59176.4000109.9C59 A97 H99 V105 L447 A451C59-L107 HydrophobicContact CB-CD2 4.46Å; A97-L107 PolarHBondContact N-O 2.75Å; A97-L107 PolarHBondContact O-N 2.92Å; H99-L107 HydrophobicContact CB-CD1 4.39Å; H99-L107 HydrophobicContact CB-CG 4.42Å; V105-L107 HydrophobicContact CG1-CD2 3.77Å; V105-L107 HydrophobicContact CG1-CG 4.24Å; L107-L447 HydrophobicContact CB-CD2 4.12Å; L107-L447 HydrophobicContact CB-CG 4.31Å; L107-L447 HydrophobicContact CD1-CG 4.5Å; L107-A451 HydrophobicContact CD1-CB 3.6Å; L107-A451 HydrophobicContact CD2-CB 3.77Å; L107-A451 HydrophobicContact CG-CB 4.29Å
108L94.4Very high93.5Very high0 Ų055 Ų550%031%0.305CS..EExtended strand (participates in β ladder)trans-120.2128.5172.3-61.287.2000108.2S57 T58 V60 L80 V94 I96 P215 F217S57-L108 CarbonylContact C-O 3.56Å; S57-L108 VanDerWaalsContact CA-O 3.23Å; S57-L108 WeakPolarHBondContact CA-O 3.36Å; S57-L108 WeakPolarHBondContact CB-O 3.4Å; T58-L108 PolarHBondContact N-O 3.33Å; T58-L108 PolarHBondContact O-N 3.08Å; V60-L108 HydrophobicContact CB-CD1 4.41Å; V60-L108 HydrophobicContact CG2-CD1 3.65Å; L80-L108 HydrophobicContact CD1-CD2 3.67Å; V94-L108 HydrophobicContact CG1-CD2 3.76Å; I96-L108 HydrophobicContact CD1-CD2 4.19Å; I96-L108 HydrophobicContact CG1-CD2 4.12Å; I96-L108 HydrophobicContact CG1-CG 4.17Å; I96-L108 HydrophobicContact CG2-CD1 4.41Å; I96-L108 HydrophobicContact CG2-CG 4.35Å; L108-P215 HydrophobicContact CD2-CG 3.91Å; L108-F217 HydrophobicContact CD1-CZ 4.02Å; L108-F217 HydrophobicContact CD2-CZ 3.88Å
109P92Very high93.3Very high38 Ų3855.3 Ų55.325%0.24730%0.303CS..EExtended strand (participates in β ladder)trans-67142.5175.729.1-31.7000110.1Q95 L447Q95-P109 HydrophobicContact CB-CG 4.22Å; Q95-P109 WeakPolarHBondContact O-CD 3.28Å; P109-L447 HydrophobicContact CB-CD1 3.97Å; P109-L447 HydrophobicContact CB-CD2 4.44Å; P109-L447 HydrophobicContact CG-CD2 4.5Å
110V91Very high93.1Very high15 Ų1561.1 Ų61.19%0.09134%0.344CS..  trans-96.2125.4168.4179.10000107.8S56 Y212S56-V110 PolarHBondContact O-N 2.89Å; V110-Y212 HydrophobicContact CG1-CD1 3.96Å; V110-Y212 HydrophobicContact CG1-CG 4.48Å
111D87.9Confident93.1Very high95 Ų9558.1 Ų58.151%0.50833%0.326SS..BIsolated β-bridgetrans-96113.1178.5171.334.1000110.2R114 Y212 K213D111-R114 WeakPolarHBondContact OD2-CD 3.45Å; D111-Y212 CarbonylContact O-C 3.6Å; D111-K213 HydrophobicContact CB-CB 4.21Å; D111-K213 PolarHBondContact N-O 3.16Å; D111-K213 PolarHBondContact O-N 2.71Å
112G85.6Confident93.1Very high32 Ų3255.8 Ų55.833%0.3332%0.32SS..  trans160.4170.8177.900000113.2Y212G112-Y212 VanDerWaalsContact C-CE1 3.49Å
113P89.1Confident93.2Very high59 Ų5955.7 Ų55.738%0.38332%0.32SS..SBendcis-75.1135.66.328.8-33.1000113.2V8 L211 Y212V8-P113 HydrophobicContact CB-CB 4.06Å; V8-P113 HydrophobicContact CB-CG 4.24Å; V8-P113 HydrophobicContact CG1-CB 4.14Å; V8-P113 HydrophobicContact CG2-CB 3.6Å; V8-P113 HydrophobicContact CG2-CG 3.51Å; P113-L211 WeakPolarHBondContact CA-O 3.45Å; P113-Y212 HydrophobicContact CB-CE1 4.38Å; P113-Y212 HydrophobicContact CB-CE2 3.93Å
114R89.8Confident93.3Very high57 Ų5750.8 Ų50.822%0.21529%0.289CS..  trans-93.3148.7179.4-54.9-172.1-55.8139.47.2111.2D111 V116 D209 P210 L211D111-R114 WeakPolarHBondContact OD2-CD 3.45Å; R114-V116 HydrophobicContact CB-CG2 4.24Å; R114-V116 PolarHBondContact O-N 3.26Å; R114-V116 VanDerWaalsContact O-N 3.16Å; R114-D209 IonicContact CZ-OD1 3.26Å; R114-D209 IonicContact NH1-OD1 3.01Å; R114-D209 PolarHBondContact NH1-OD1 2.82Å; R114-D209 IonicContact NH2-OD1 3.46Å; R114-D209 PolarHBondContact NH2-OD1 2.82Å; R114-P210 VanDerWaalsContact CZ-O 3.23Å; R114-P210 PolarHBondContact NE-O 3.11Å; R114-P210 VanDerWaalsContact NH2-N 3.16Å; R114-P210 PolarHBondContact NH2-O 3.21Å; R114-L211 PolarHBondContact N-O 2.87Å; R114-L211 WeakPolarHBondContact O-CD2 3.44Å
115A89Confident93.3Very high112 Ų11250.7 Ų50.793%0.92629%0.289SS*.  trans-75.6101.3173.400000109.9
116V91.3Very high93.1Very high19 Ų1953.2 Ų53.212%0.11530%0.302CS..  trans-118.8125-178.5176.70000109.7R114 F180 N183 D209 L211R114-V116 HydrophobicContact CB-CG2 4.24Å; R114-V116 PolarHBondContact O-N 3.26Å; R114-V116 VanDerWaalsContact O-N 3.16Å; V116-F180 HydrophobicContact CB-CE1 3.97Å; V116-F180 HydrophobicContact CB-CZ 4.41Å; V116-F180 HydrophobicContact CG1-CE1 3.78Å; V116-F180 HydrophobicContact CG1-CZ 3.7Å; V116-N183 VanDerWaalsContact CG1-ND2 3.34Å; V116-N183 WeakPolarHBondContact CG1-ND2 3.22Å; V116-D209 HydrophobicContact CG1-CB 4.46Å; V116-D209 WeakPolarHBondContact CG1-OD2 3.32Å; V116-L211 HydrophobicContact CB-CD2 4.07Å; V116-L211 HydrophobicContact CG2-CD2 4.2Å
117E92.8Very high92.8Very high169 Ų16954.6 Ų54.679%0.7931%0.314SS*.PPolyproline II helixtrans-75138.4178.6-169.4177.3179.800111.3N183E117-N183 PolarHBondContact O-ND2 3.35Å
118R94.8Very high92.5Very high167 Ų16762.6 Ų62.663%0.6335%0.351SS*.PPolyproline II helixtrans-85.6136.1-179.8-60.4178.4-170.6168.73110.5F180R118-F180 HydrophobicContact CG-CD1 4.05Å; R118-F180 HydrophobicContact CG-CD2 4.18Å; R118-F180 HydrophobicContact CG-CE1 4.09Å; R118-F180 HydrophobicContact CG-CE2 4.24Å; R118-F180 HydrophobicContact CG-CG 4.09Å; R118-F180 HydrophobicContact CG-CZ 4.18Å
119L94Very high92.5Very high64 Ų6463.4 Ų63.434%0.33536%0.356SS..PPolyproline II helixtrans-87.1160.1173.1-53.3178.3000110.6S121 M156 S158L119-S121 VanDerWaalsContact C-N 3.28Å; L119-S121 PolarHBondContact O-N 3.38Å; L119-M156 HydrophobicContact CD1-CB 3.75Å; L119-M156 HydrophobicContact CD1-CE 4.27Å; L119-S158 WeakPolarHBondContact CB-OG 3.13Å; L119-S158 PolarHBondContact N-OG 3.39Å
120S91.4Very high92.7Very high130 Ų13061.6 Ų61.691%0.90935%0.345SS*.SBendtrans-73.2-21.4174.458.60000113.4
121S94.5Very high92.8Very high34 Ų3462 Ų6224%0.23835%0.348CS..  trans-87107179.3-168.30000110L119 P148 S158L119-S121 VanDerWaalsContact C-N 3.28Å; L119-S121 PolarHBondContact O-N 3.38Å; S121-P148 WeakPolarHBondContact OG-CG 3.34Å; S121-S158 PolarHBondContact O-N 2.83Å
122E96.2Very high93.2Very high70 Ų7059.4 Ų59.433%0.32734%0.34SS..EExtended strand (participates in β ladder)trans-106.5130.7-173.6-55.2-176.613800112.4P148 S158 F160 K178E122-P148 VanDerWaalsContact O-CD 3.24Å; E122-P148 WeakPolarHBondContact O-CD 3.46Å; E122-P148 WeakPolarHBondContact O-CG 3.41Å; E122-S158 WeakPolarHBondContact CA-O 3.27Å; E122-F160 HydrophobicContact CB-CD2 4.11Å; E122-F160 HydrophobicContact CB-CE2 3.97Å; E122-F160 HydrophobicContact CG-CD2 4.31Å; E122-F160 HydrophobicContact CG-CE2 3.7Å; E122-F160 HydrophobicContact CG-CZ 4.4Å; E122-K178 IonicContact OE1-NZ 2.6Å; E122-K178 PolarHBondContact OE1-NZ 3.36Å; E122-K178 IonicContact OE2-NZ 3.85Å; E122-K178 PolarHBondContact OE2-NZ 3.31Å
123L97.6Very high93.7Very high0 Ų058 Ų580%033%0.325CS..EExtended strand (participates in β ladder)trans-115.7138.8170.4-179.1142.2000109.3V125 I144 M151 V157 S158 V159 F160 V205L123-V125 HydrophobicContact CD2-CG1 3.7Å; L123-I144 HydrophobicContact CD1-CD1 4.27Å; L123-I144 HydrophobicContact CD1-CG2 4.01Å; L123-I144 HydrophobicContact CD2-CG1 4.33Å; L123-I144 HydrophobicContact CD2-CG2 4.18Å; L123-I144 HydrophobicContact CG-CG2 4.08Å; L123-M151 HydrophobicContact CD1-CE 3.57Å; L123-M151 HydrophobicContact CD1-SD 3.76Å; L123-V157 HydrophobicContact CB-CB 4.22Å; L123-V157 HydrophobicContact CB-CG2 4.19Å; L123-V157 HydrophobicContact CD1-CG2 4.47Å; L123-S158 PolarHBondContact N-O 3.49Å; L123-V159 HydrophobicContact CD2-CG1 4.09Å; L123-V159 HydrophobicContact CD2-CG2 4.28Å; L123-V159 CarbonylContact O-C 3.34Å; L123-V159 WeakPolarHBondContact O-CA 3.37Å; L123-F160 PolarHBondContact O-N 3.28Å; L123-V205 HydrophobicContact CD1-CG2 3.58Å; L123-V205 HydrophobicContact CD2-CG2 4.17Å; L123-V205 HydrophobicContact CG-CG2 4.47Å
124V97.8Very high94Very high2 Ų255.2 Ų55.21%0.01231%0.307CS..EExtended strand (participates in β ladder)trans-117.6130.2-177.8-171.70000110.4V145 A146 F160 D162 C167 F174V124-V145 PolarHBondContact O-N 2.98Å; V124-A146 HydrophobicContact CB-CB 3.99Å; V124-A146 HydrophobicContact CG2-CB 4.23Å; V124-A146 PolarHBondContact N-O 3.01Å; V124-A146 PolarHBondContact O-N 2.85Å; V124-F160 CarbonylContact C-O 3.56Å; V124-F160 VanDerWaalsContact CA-O 3.28Å; V124-F160 WeakPolarHBondContact CA-O 3.45Å; V124-F160 HydrophobicContact CG2-CB 4.47Å; V124-D162 HydrophobicContact CG1-CB 3.83Å; V124-C167 HydrophobicContact CG1-CB 4.47Å; V124-F174 HydrophobicContact CG1-CD1 4.2Å; V124-F174 HydrophobicContact CG2-CB 4Å; V124-F174 HydrophobicContact CG2-CD1 4.46Å
125V97Very high94.3Very high0 Ų054.2 Ų54.20%030%0.303CS..EExtended strand (participates in β ladder)trans-111.6161.6174.6-59.30000110.8L123 C129 V139 G143 V159 F160 D162L123-V125 HydrophobicContact CD2-CG1 3.7Å; V125-C129 HydrophobicContact CB-CB 3.94Å; V125-C129 HydrophobicContact CG2-CB 4.19Å; V125-V139 HydrophobicContact CG1-CG1 3.53Å; V125-V139 HydrophobicContact CG1-CG2 4.18Å; V125-G143 WeakPolarHBondContact CA-O 3.49Å; V125-G143 WeakPolarHBondContact CB-O 3.4Å; V125-V159 HydrophobicContact CG1-CG1 3.9Å; V125-V159 HydrophobicContact CG2-CG1 4.12Å; V125-F160 WeakPolarHBondContact CG2-O 3.29Å; V125-F160 PolarHBondContact N-O 2.91Å; V125-D162 PolarHBondContact O-N 2.94Å
126D93.7Very high94.5Very high53 Ų5349.4 Ų49.428%0.28327%0.265SS..  trans-67.3163.7170.368.257.4000112.1Q128 C129 G130 G143 V145D126-Q128 VanDerWaalsContact C-N 3.29Å; D126-Q128 PolarHBondContact O-N 2.84Å; D126-Q128 WeakPolarHBondContact OD1-CB 3.42Å; D126-Q128 PolarHBondContact OD1-N 3.05Å; D126-C129 PolarHBondContact O-N 2.79Å; D126-C129 WeakPolarHBondContact OD1-CB 3.42Å; D126-C129 PolarHBondContact OD1-N 3.36Å; D126-G130 PolarHBondContact O-N 2.95Å; D126-G143 PolarHBondContact N-O 3.04Å; D126-G143 VanDerWaalsContact N-O 3.08Å; D126-G143 WeakPolarHBondContact OD2-CA 3.43Å; D126-V145 HydrophobicContact CB-CG2 3.97Å
127A91.3Very high94.7Very high30 Ų3049.8 Ų49.825%0.24827%0.269CS..Hα-helixtrans-57.5-38.2-177.500000113.7G130 S131 S161 D162A127-G130 PolarHBondContact O-N 3.47Å; A127-S131 PolarHBondContact O-N 3.13Å; A127-S131 PolarHBondContact O-OG 2.79Å; A127-S161 WeakPolarHBondContact CA-OG 3.49Å; A127-D162 WeakPolarHBondContact CB-O 3.1Å; A127-D162 PolarHBondContact N-O 3.15Å
128Q91.4Very high94.9Very high169 Ų16943.9 Ų43.979%0.7924%0.242SC*.Hα-helixtrans-71-41.8-178-67.1-174-20.200111.2D126 G130 S131 A132D126-Q128 VanDerWaalsContact C-N 3.29Å; D126-Q128 PolarHBondContact O-N 2.84Å; D126-Q128 WeakPolarHBondContact OD1-CB 3.42Å; D126-Q128 PolarHBondContact OD1-N 3.05Å; Q128-G130 VanDerWaalsContact C-N 3.35Å; Q128-S131 PolarHBondContact O-N 3.24Å; Q128-A132 PolarHBondContact O-N 2.96Å
129C94.9Very high95Very high16 Ų1635.9 Ų35.911%0.10821%0.212CC..Hα-helixtrans-63.4-42173.5-176.70000111V125 D126 S131 A132 V133V125-C129 HydrophobicContact CB-CB 3.94Å; V125-C129 HydrophobicContact CG2-CB 4.19Å; D126-C129 PolarHBondContact O-N 2.79Å; D126-C129 WeakPolarHBondContact OD1-CB 3.42Å; D126-C129 PolarHBondContact OD1-N 3.36Å; C129-S131 PolarHBondContact O-N 3.16Å; C129-A132 WeakPolarHBondContact O-CB 3.36Å; C129-A132 PolarHBondContact O-N 2.83Å; C129-A132 VanDerWaalsContact O-N 3.17Å; C129-V133 WeakPolarHBondContact O-CG2 3.39Å; C129-V133 PolarHBondContact O-N 3.49Å
130G95.1Very high95Very high0 Ų036.3 Ų36.30%021%0.211CC..Hα-helixtrans-56.5-47.6172.500000112.5D126 A127 Q128 A132 V133 L134D126-G130 PolarHBondContact O-N 2.95Å; A127-G130 PolarHBondContact O-N 3.47Å; Q128-G130 VanDerWaalsContact C-N 3.35Å; G130-A132 VanDerWaalsContact C-N 3.33Å; G130-A132 PolarHBondContact O-N 2.86Å; G130-V133 PolarHBondContact O-N 3.19Å; G130-L134 WeakPolarHBondContact O-CG 3.34Å; G130-L134 PolarHBondContact O-N 3.18Å; G130-L134 VanDerWaalsContact O-N 3.1Å
131S94.6Very high95.2Very high23 Ų2330.1 Ų30.116%0.16117%0.167CC..Hα-helixtrans-62-37.6174.9-73.60000113.4A127 Q128 C129 L134 R135 P341A127-S131 PolarHBondContact O-N 3.13Å; A127-S131 PolarHBondContact O-OG 2.79Å; Q128-S131 PolarHBondContact O-N 3.24Å; C129-S131 PolarHBondContact O-N 3.16Å; S131-L134 PolarHBondContact O-N 3.11Å; S131-R135 WeakPolarHBondContact O-CG 3.47Å; S131-R135 PolarHBondContact O-N 3.46Å; S131-P341 VanDerWaalsContact CB-O 3.27Å; S131-P341 WeakPolarHBondContact CB-O 3.48Å; S131-P341 PolarHBondContact OG-O 2.98Å
132A95.4Very high95.2Very high42 Ų4232 Ų3235%0.34718%0.179SC..Hα-helixtrans-66.6-40.417600000112Q128 C129 G130 L134 R135 G136 A137Q128-A132 PolarHBondContact O-N 2.96Å; C129-A132 WeakPolarHBondContact O-CB 3.36Å; C129-A132 PolarHBondContact O-N 2.83Å; C129-A132 VanDerWaalsContact O-N 3.17Å; G130-A132 VanDerWaalsContact C-N 3.33Å; G130-A132 PolarHBondContact O-N 2.86Å; A132-L134 VanDerWaalsContact C-N 3.33Å; A132-L134 PolarHBondContact O-N 2.69Å; A132-R135 CarbonylContact O-C 3.53Å; A132-R135 WeakPolarHBondContact O-CA 3.4Å; A132-R135 WeakPolarHBondContact O-CB 3.42Å; A132-R135 PolarHBondContact O-N 2.84Å; A132-G136 PolarHBondContact O-N 3.49Å; A132-A137 HydrophobicContact CB-CB 3.98Å; A132-A137 VanDerWaalsContact O-CB 3.23Å; A132-A137 WeakPolarHBondContact O-CB 3.48Å; A132-A137 PolarHBondContact O-N 3.28Å
133V96.2Very high95.1Very high1 Ų129 Ų291%0.00617%0.167CC..Hα-helixtrans-60.1-44174.9168.70000111C129 G130 R135 G136 V139 V181 M207C129-V133 WeakPolarHBondContact O-CG2 3.39Å; C129-V133 PolarHBondContact O-N 3.49Å; G130-V133 PolarHBondContact O-N 3.19Å; V133-R135 PolarHBondContact O-N 2.77Å; V133-R135 VanDerWaalsContact O-N 3.12Å; V133-G136 PolarHBondContact O-N 3.5Å; V133-V139 HydrophobicContact CG2-CG2 3.61Å; V133-V181 HydrophobicContact CB-CG2 4.35Å; V133-V181 HydrophobicContact CG1-CB 4.11Å; V133-V181 HydrophobicContact CG1-CG2 3.81Å; V133-M207 HydrophobicContact CG1-CE 3.77Å; V133-M207 HydrophobicContact CG1-CG 4.01Å; V133-M207 HydrophobicContact CG1-SD 4.12Å; V133-M207 HydrophobicContact CG2-CG 4.43Å
134L95.6Very high95.1Very high1 Ų129 Ų291%0.00517%0.167CC..THydrogen-bonded Turntrans-64.7-13.6175.4-66.6177.1000113.7F9 G130 S131 A132 V181 Y212 P341 M343F9-L134 HydrophobicContact CE2-CD1 3.86Å; F9-L134 HydrophobicContact CE2-CD2 4.07Å; F9-L134 HydrophobicContact CZ-CD1 3.87Å; F9-L134 HydrophobicContact CZ-CD2 3.57Å; F9-L134 HydrophobicContact CZ-CG 4.4Å; G130-L134 WeakPolarHBondContact O-CG 3.34Å; G130-L134 PolarHBondContact O-N 3.18Å; G130-L134 VanDerWaalsContact O-N 3.1Å; S131-L134 PolarHBondContact O-N 3.11Å; A132-L134 VanDerWaalsContact C-N 3.33Å; A132-L134 PolarHBondContact O-N 2.69Å; L134-V181 HydrophobicContact CD1-CG1 4.38Å; L134-V181 HydrophobicContact CD2-CB 4.06Å; L134-V181 HydrophobicContact CD2-CG1 4.06Å; L134-V181 HydrophobicContact CG-CB 4.43Å; L134-V181 HydrophobicContact CG-CG1 4.1Å; L134-Y212 HydrophobicContact CD2-CD2 3.86Å; L134-P341 HydrophobicContact CB-CG 3.64Å; L134-P341 HydrophobicContact CD1-CB 4.03Å; L134-P341 HydrophobicContact CD1-CG 3.93Å; L134-P341 HydrophobicContact CG-CG 4.44Å; L134-M343 HydrophobicContact CD1-CE 3.9Å; L134-M343 HydrophobicContact CD1-SD 3.92Å
135R95.6Very high95Very high37 Ų3729.7 Ų29.714%0.1417%0.171CC..THydrogen-bonded Turntrans-996.2172.5-65.6-74.9-77.4168.3-7.6113S57 S131 A132 V133 S214 N229 P341S57-R135 PolarHBondContact O-NH1 3.44Å; S57-R135 VanDerWaalsContact O-NH1 3.13Å; S131-R135 WeakPolarHBondContact O-CG 3.47Å; S131-R135 PolarHBondContact O-N 3.46Å; A132-R135 CarbonylContact O-C 3.53Å; A132-R135 WeakPolarHBondContact O-CA 3.4Å; A132-R135 WeakPolarHBondContact O-CB 3.42Å; A132-R135 PolarHBondContact O-N 2.84Å; V133-R135 PolarHBondContact O-N 2.77Å; V133-R135 VanDerWaalsContact O-N 3.12Å; R135-S214 WeakPolarHBondContact O-CB 3.43Å; R135-S214 PolarHBondContact O-OG 3.39Å; R135-N229 PolarHBondContact NH2-OD1 3.14Å; R135-P341 HydrophobicContact CG-CG 4.35Å
136G93.6Very high95Very high11 Ų1129.8 Ų29.811%0.11317%0.172CC..THydrogen-bonded Turntrans102.43.9175.800000115.3A132 V133 S214 S216A132-G136 PolarHBondContact O-N 3.49Å; V133-G136 PolarHBondContact O-N 3.5Å; G136-S214 VanDerWaalsContact CA-O 3.23Å; G136-S214 WeakPolarHBondContact CA-O 3.47Å; G136-S216 WeakPolarHBondContact O-CA 3.46Å
137A95.2Very high95.2Very high26 Ų2627.2 Ų27.222%0.21516%0.158CC..PPolyproline II helixtrans-74.2152.7178.500000112.5A132A132-A137 HydrophobicContact CB-CB 3.98Å; A132-A137 VanDerWaalsContact O-CB 3.23Å; A132-A137 WeakPolarHBondContact O-CB 3.48Å; A132-A137 PolarHBondContact O-N 3.28Å
138H96.1Very high95.4Very high45 Ų4527 Ų2721%0.20815%0.154CC..PPolyproline II helixtrans-75.5164.8159.9-58.3-42.2000110.9F140 V203 M207H138-F140 WeakPolarHBondContact O-CD2 3.35Å; H138-V203 HydrophobicContact CB-CG1 3.92Å; H138-V203 HydrophobicContact CB-CG2 4.33Å; H138-M207 PolarHBondContact ND1-N 2.95Å
139V97.1Very high95.5Very high0 Ų025 Ų250%014%0.143CC..EExtended strand (participates in β ladder)trans-86116.4175.3178.20000108.7V125 V133 I144 V159 G204 V205 M207V125-V139 HydrophobicContact CG1-CG1 3.53Å; V125-V139 HydrophobicContact CG1-CG2 4.18Å; V133-V139 HydrophobicContact CG2-CG2 3.61Å; V139-I144 HydrophobicContact CG1-CD1 4.02Å; V139-I144 HydrophobicContact CG1-CG1 3.48Å; V139-I144 VanDerWaalsContact CG1-CG1 3.48Å; V139-V159 HydrophobicContact CG2-CG1 4.01Å; V139-V159 HydrophobicContact CG2-CG2 4.43Å; V139-G204 PolarHBondContact O-N 3.24Å; V139-V205 HydrophobicContact CB-CB 3.88Å; V139-V205 HydrophobicContact CB-CG2 4.37Å; V139-V205 HydrophobicContact CG1-CG2 4.49Å; V139-V205 HydrophobicContact CG2-CB 4.23Å; V139-V205 PolarHBondContact N-O 3.46Å; V139-V205 PolarHBondContact O-N 2.9Å; V139-M207 HydrophobicContact CG2-CG 4.47Å; V139-M207 HydrophobicContact CG2-SD 3.88Å
140F95.8Very high95.5Very high72 Ų7232.6 Ų32.632%0.31617%0.171SC..EExtended strand (participates in β ladder)trans-86145.5173.4-66.9-94.8000110.9H138 P142 G143 G202 V203 D218H138-F140 WeakPolarHBondContact O-CD2 3.35Å; F140-P142 VanDerWaalsContact C-N 3.31Å; F140-P142 VanDerWaalsContact O-N 3.14Å; F140-G143 PolarHBondContact O-N 2.71Å; F140-G202 CarbonylContact C-O 3.48Å; F140-G202 VanDerWaalsContact CA-O 3.28Å; F140-G202 WeakPolarHBondContact CA-O 3.43Å; F140-G202 WeakPolarHBondContact CD1-O 3.44Å; F140-V203 HydrophobicContact CD1-CG2 4.34Å; F140-V203 HydrophobicContact CE1-CG2 3.92Å; F140-V203 HydrophobicContact CZ-CG2 4.3Å; F140-D218 HydrophobicContact CZ-CB 4.47Å; F140-D218 WeakPolarHBondContact CZ-OD2 3.17Å
141A95.1Very high95.5Very high0 Ų032.8 Ų32.80%017%0.172CC..G310 helixtrans-52.3-36.6-17400000115.4G143 I144 R169 M188 A200 G202A141-G143 VanDerWaalsContact C-N 3.26Å; A141-G143 PolarHBondContact O-N 3.02Å; A141-I144 PolarHBondContact O-N 3.38Å; A141-R169 PolarHBondContact O-NH2 2.83Å; A141-M188 HydrophobicContact CB-SD 3.84Å; A141-A200 HydrophobicContact CB-CB 3.67Å; A141-G202 PolarHBondContact N-O 2.96Å
142P94.1Very high95.6Very high74 Ų7436.9 Ų36.948%0.48119%0.187SC..G310 helixtrans-58.9-34.2174.8-27.336.9000114.1F140 I144 R169 A200F140-P142 VanDerWaalsContact C-N 3.31Å; F140-P142 VanDerWaalsContact O-N 3.14Å; P142-I144 VanDerWaalsContact C-N 3.31Å; P142-I144 PolarHBondContact O-N 3.04Å; P142-R169 PolarHBondContact O-NH1 3Å; P142-A200 WeakPolarHBondContact CG-O 3.17Å
143G94.9Very high95.7Very high8 Ų837.5 Ų37.58%0.08219%0.191CC..G310 helixtrans-78.4-10.3-178.300000114.6V125 D126 F140 A141 V145V125-G143 WeakPolarHBondContact CA-O 3.49Å; V125-G143 WeakPolarHBondContact CB-O 3.4Å; D126-G143 PolarHBondContact N-O 3.04Å; D126-G143 VanDerWaalsContact N-O 3.08Å; D126-G143 WeakPolarHBondContact OD2-CA 3.43Å; F140-G143 PolarHBondContact O-N 2.71Å; A141-G143 VanDerWaalsContact C-N 3.26Å; A141-G143 PolarHBondContact O-N 3.02Å; G143-V145 PolarHBondContact O-N 3.02Å
144I96.8Very high95.7Very high0 Ų039.9 Ų39.90%022%0.216CC..EExtended strand (participates in β ladder)trans-79120.7178.7-56.1174.5000109.4L123 V139 A141 P142 R169 I193 F194 V205L123-I144 HydrophobicContact CD1-CD1 4.27Å; L123-I144 HydrophobicContact CD1-CG2 4.01Å; L123-I144 HydrophobicContact CD2-CG1 4.33Å; L123-I144 HydrophobicContact CD2-CG2 4.18Å; L123-I144 HydrophobicContact CG-CG2 4.08Å; V139-I144 HydrophobicContact CG1-CD1 4.02Å; V139-I144 HydrophobicContact CG1-CG1 3.48Å; V139-I144 VanDerWaalsContact CG1-CG1 3.48Å; A141-I144 PolarHBondContact O-N 3.38Å; P142-I144 VanDerWaalsContact C-N 3.31Å; P142-I144 PolarHBondContact O-N 3.04Å; I144-R169 PolarHBondContact O-NH1 3.4Å; I144-I193 HydrophobicContact CB-CG2 3.91Å; I144-I193 HydrophobicContact CD1-CD1 3.74Å; I144-I193 HydrophobicContact CD1-CG1 4.24Å; I144-I193 HydrophobicContact CD1-CG2 4.25Å; I144-I193 HydrophobicContact CG2-CG2 3.99Å; I144-F194 HydrophobicContact CG2-CZ 4.06Å; I144-V205 HydrophobicContact CD1-CG2 4.27Å
145V96.1Very high95.8Very high15 Ų1542.9 Ų42.99%0.09123%0.232CC..EExtended strand (participates in β ladder)trans-102.9-41.9-178.3-173.30000110.9V124 D126 G143 C167 R169 G170 F194V124-V145 PolarHBondContact O-N 2.98Å; D126-V145 HydrophobicContact CB-CG2 3.97Å; G143-V145 PolarHBondContact O-N 3.02Å; V145-C167 HydrophobicContact CG1-CB 3.85Å; V145-C167 VanDerWaalsContact CG1-O 3.22Å; V145-C167 WeakPolarHBondContact CG1-O 3.41Å; V145-R169 HydrophobicContact CG1-CB 4.39Å; V145-R169 CarbonylContact O-C 3.55Å; V145-R169 VanDerWaalsContact O-CA 3.29Å; V145-R169 WeakPolarHBondContact O-CA 3.29Å; V145-G170 PolarHBondContact O-N 2.63Å; V145-F194 WeakPolarHBondContact O-CE1 3.44Å; V145-F194 WeakPolarHBondContact O-CZ 3.36Å
146A96.9Very high95.9Very high2 Ų245.2 Ų45.22%0.01725%0.246CC..EExtended strand (participates in β ladder)trans-136.5152.8175.900000111.4V124 A171V124-A146 HydrophobicContact CB-CB 3.99Å; V124-A146 HydrophobicContact CG2-CB 4.23Å; V124-A146 PolarHBondContact N-O 3.01Å; V124-A146 PolarHBondContact O-N 2.85Å; A146-A171 WeakPolarHBondContact CA-O 3.48Å; A146-A171 HydrophobicContact CB-CB 3.88Å; A146-A171 WeakPolarHBondContact CB-O 3.38Å
147S96.6Very high96.1Very high0 Ų044.7 Ų44.70%024%0.241CC..  trans-150162.5176.778.60000111.6A171 T172 R190S147-A171 PolarHBondContact N-O 2.8Å; S147-T172 CarbonylContact O-C 3.51Å; S147-T172 VanDerWaalsContact O-CA 3.27Å; S147-T172 WeakPolarHBondContact O-CA 3.29Å; S147-R190 PolarHBondContact O-NH1 3.36Å; S147-R190 WeakPolarHBondContact OG-CD 3.46Å; S147-R190 WeakPolarHBondContact OG-CG 3.37Å; S147-R190 PolarHBondContact OG-NH1 2.78Å
148P96Very high96.2Very high24 Ų2443.5 Ų43.516%0.15623%0.23CC..  trans-59.2141.8176.2-20.631.7000111.9S121 E122 Y150 M151 R190S121-P148 WeakPolarHBondContact OG-CG 3.34Å; E122-P148 VanDerWaalsContact O-CD 3.24Å; E122-P148 WeakPolarHBondContact O-CD 3.46Å; E122-P148 WeakPolarHBondContact O-CG 3.41Å; P148-Y150 PolarHBondContact O-N 2.87Å; P148-M151 HydrophobicContact CB-CB 4.16Å; P148-M151 HydrophobicContact CG-CB 4.35Å; P148-M151 WeakPolarHBondContact O-CB 3.49Å; P148-M151 PolarHBondContact O-N 2.98Å; P148-M151 VanDerWaalsContact O-N 3.13Å; P148-R190 VanDerWaalsContact O-CD 3.22Å; P148-R190 WeakPolarHBondContact O-CD 3.36Å
149K94.3Very high96.3Very high127 Ų12741.3 Ų41.355%0.55222%0.22SC*.THydrogen-bonded Turntrans-53.4-34.8-173.2-172.8178.4176.8-165.50114.1T172K149-T172 HydrophobicContact CB-CG2 3.9Å; K149-T172 HydrophobicContact CG-CG2 4.13Å
150Y93.6Very high96.3Very high177 Ų17741.8 Ų41.869%0.69422%0.222SC*.THydrogen-bonded Turntrans-115.119.8-175.2-51.2-61000113.2P148 K152P148-Y150 PolarHBondContact O-N 2.87Å; Y150-K152 PolarHBondContact O-N 3.06Å
151M95.9Very high96.3Very high4 Ų438.3 Ų38.32%0.0221%0.207CC..  trans-59.3129.9-180177.9-171170.600111.7L123 P148 D155 V157 A186 R190 I193 V205L123-M151 HydrophobicContact CD1-CE 3.57Å; L123-M151 HydrophobicContact CD1-SD 3.76Å; P148-M151 HydrophobicContact CB-CB 4.16Å; P148-M151 HydrophobicContact CG-CB 4.35Å; P148-M151 WeakPolarHBondContact O-CB 3.49Å; P148-M151 PolarHBondContact O-N 2.98Å; P148-M151 VanDerWaalsContact O-N 3.13Å; M151-D155 WeakPolarHBondContact CA-OD2 3.48Å; M151-V157 HydrophobicContact CE-CG1 4.34Å; M151-V157 HydrophobicContact SD-CG1 4.41Å; M151-A186 HydrophobicContact CE-CB 3.25Å; M151-A186 HydrophobicContact CG-CB 4.31Å; M151-R190 HydrophobicContact CB-CB 4.43Å; M151-R190 PolarHBondContact O-N 2.92Å; M151-I193 HydrophobicContact CE-CD1 4.4Å; M151-V205 HydrophobicContact CE-CG2 4.22Å
152K96.7Very high96.2Very high109 Ų10938.5 Ų38.547%0.47421%0.208SC..  trans-117.3156.7175.5-66.5-54.6-165.1176.10111.4Y150 G154 D155 A186 D189Y150-K152 PolarHBondContact O-N 3.06Å; K152-G154 PolarHBondContact O-N 2.88Å; K152-D155 PolarHBondContact N-OD2 2.94Å; K152-D155 VanDerWaalsContact O-CB 3.31Å; K152-D155 WeakPolarHBondContact O-CB 3.37Å; K152-D155 VanDerWaalsContact O-CG 3.31Å; K152-D155 PolarHBondContact O-N 3.29Å; K152-D155 VanDerWaalsContact O-N 3.15Å; K152-A186 WeakPolarHBondContact O-CB 3.21Å; K152-D189 WeakPolarHBondContact CA-OD1 3.33Å; K152-D189 WeakPolarHBondContact CD-OD1 3.5Å; K152-D189 VanDerWaalsContact CD-OD2 3.3Å; K152-D189 WeakPolarHBondContact CD-OD2 3.42Å; K152-D189 IonicContact NZ-OD2 3.26Å; K152-D189 PolarHBondContact NZ-OD2 2.88Å
153A97.1Very high95.8Very high54 Ų5435.2 Ų35.245%0.44619%0.186SC..THydrogen-bonded Turntrans-56.1135.8166.900000110.3A186 D189A153-A186 CarbonylContact C-O 3.55Å; A153-A186 WeakPolarHBondContact CA-O 3.46Å; A153-D189 PolarHBondContact N-OD1 3.37Å
154G96.6Very high95.3Very high52 Ų5237.8 Ų37.854%0.53620%0.196SC..THydrogen-bonded Turntrans95.8-17.5-172.400000114.8K152 A186K152-G154 PolarHBondContact O-N 2.88Å; G154-A186 PolarHBondContact N-O 2.89Å
155D97.4Very high94.8Very high63 Ų6340.8 Ų40.834%0.33723%0.228SC..  trans-67.7136.7-180-71.5-15.2000111.9M151 K152 A186M151-D155 WeakPolarHBondContact CA-OD2 3.48Å; K152-D155 PolarHBondContact N-OD2 2.94Å; K152-D155 VanDerWaalsContact O-CB 3.31Å; K152-D155 WeakPolarHBondContact O-CB 3.37Å; K152-D155 VanDerWaalsContact O-CG 3.31Å; K152-D155 PolarHBondContact O-N 3.29Å; K152-D155 VanDerWaalsContact O-N 3.15Å; D155-A186 HydrophobicContact CB-CB 4.23Å; D155-A186 WeakPolarHBondContact O-CB 3.38Å; D155-A186 PolarHBondContact O-N 2.91Å
156M97.6Very high94.4Very high87 Ų8748.9 Ų48.943%0.42926%0.256SS..EExtended strand (participates in β ladder)trans-77.4130.2168.8-75.1-66.9-64.300110.5L119 N183 V185 V208L119-M156 HydrophobicContact CD1-CB 3.75Å; L119-M156 HydrophobicContact CD1-CE 4.27Å; M156-N183 HydrophobicContact CE-CB 4.26Å; M156-V185 HydrophobicContact SD-CB 4.49Å; M156-V185 HydrophobicContact SD-CG2 3.46Å; M156-V185 WeakPolarHBondContact SD-CG2 3.24Å; M156-V208 HydrophobicContact CE-CG2 3.86Å; M156-V208 HydrophobicContact SD-CG2 4.24Å
157V97.6Very high94.2Very high0 Ų049.4 Ų49.40%026%0.26CS..EExtended strand (participates in β ladder)trans-133.9144.1-179-62.20000111.6L123 M151 V159 N183 G184 V205L123-V157 HydrophobicContact CB-CB 4.22Å; L123-V157 HydrophobicContact CB-CG2 4.19Å; L123-V157 HydrophobicContact CD1-CG2 4.47Å; M151-V157 HydrophobicContact CE-CG1 4.34Å; M151-V157 HydrophobicContact SD-CG1 4.41Å; V157-V159 HydrophobicContact CG2-CG2 4.33Å; V157-N183 WeakPolarHBondContact O-CA 3.44Å; V157-G184 PolarHBondContact N-O 3.49Å; V157-G184 PolarHBondContact O-N 3.31Å; V157-V205 HydrophobicContact CG2-CG1 3.77Å; V157-V205 HydrophobicContact CG2-CG2 4.17Å
158S98.1Very high94Very high0 Ų054.4 Ų54.40%029%0.291CS..EExtended strand (participates in β ladder)trans-86.5124164.5-76.20000109.7L119 S121 E122 L123 F160 N183L119-S158 WeakPolarHBondContact CB-OG 3.13Å; L119-S158 PolarHBondContact N-OG 3.39Å; S121-S158 PolarHBondContact O-N 2.83Å; E122-S158 WeakPolarHBondContact CA-O 3.27Å; L123-S158 PolarHBondContact N-O 3.49Å; S158-F160 WeakPolarHBondContact O-CD2 3.47Å; S158-N183 WeakPolarHBondContact CA-OD1 3.43Å; S158-N183 PolarHBondContact OG-OD1 3.01Å
159V98.1Very high93.9Very high0 Ų059.1 Ų59.10%031%0.305CS..EExtended strand (participates in β ladder)trans-93.7131.4-178.4-1750000109.6L123 V125 V139 V157 F180 V181 G182 V205 M207L123-V159 HydrophobicContact CD2-CG1 4.09Å; L123-V159 HydrophobicContact CD2-CG2 4.28Å; L123-V159 CarbonylContact O-C 3.34Å; L123-V159 WeakPolarHBondContact O-CA 3.37Å; V125-V159 HydrophobicContact CG1-CG1 3.9Å; V125-V159 HydrophobicContact CG2-CG1 4.12Å; V139-V159 HydrophobicContact CG2-CG1 4.01Å; V139-V159 HydrophobicContact CG2-CG2 4.43Å; V157-V159 HydrophobicContact CG2-CG2 4.33Å; V159-F180 WeakPolarHBondContact O-CD2 3.45Å; V159-V181 HydrophobicContact CB-CG2 3.84Å; V159-V181 HydrophobicContact CG1-CG2 3.64Å; V159-V181 WeakPolarHBondContact O-CG2 3.12Å; V159-V181 PolarHBondContact O-N 3.45Å; V159-G182 PolarHBondContact N-O 3.22Å; V159-V205 HydrophobicContact CG2-CG1 4.17Å; V159-M207 HydrophobicContact CB-CE 4.3Å; V159-M207 HydrophobicContact CB-SD 4.33Å; V159-M207 HydrophobicContact CG2-CE 4.16Å; V159-M207 HydrophobicContact CG2-SD 3.75Å
160F97.1Very high93.8Very high9 Ų954.3 Ų54.34%0.03929%0.292CS..EExtended strand (participates in β ladder)trans-123.1140.9177.4-67.3-98.1000110.9E122 L123 V124 V125 S158 K178 V179 F180E122-F160 HydrophobicContact CB-CD2 4.11Å; E122-F160 HydrophobicContact CB-CE2 3.97Å; E122-F160 HydrophobicContact CG-CD2 4.31Å; E122-F160 HydrophobicContact CG-CE2 3.7Å; E122-F160 HydrophobicContact CG-CZ 4.4Å; L123-F160 PolarHBondContact O-N 3.28Å; V124-F160 CarbonylContact C-O 3.56Å; V124-F160 VanDerWaalsContact CA-O 3.28Å; V124-F160 WeakPolarHBondContact CA-O 3.45Å; V124-F160 HydrophobicContact CG2-CB 4.47Å; V125-F160 WeakPolarHBondContact CG2-O 3.29Å; V125-F160 PolarHBondContact N-O 2.91Å; S158-F160 WeakPolarHBondContact O-CD2 3.47Å; F160-K178 HydrophobicContact CB-CB 4.15Å; F160-K178 HydrophobicContact CB-CD 4.04Å; F160-K178 HydrophobicContact CB-CG 4.21Å; F160-K178 HydrophobicContact CD1-CB 4.47Å; F160-K178 HydrophobicContact CD1-CD 3.95Å; F160-K178 HydrophobicContact CD1-CG 3.82Å; F160-K178 HydrophobicContact CG-CD 4.02Å; F160-K178 HydrophobicContact CG-CG 4.26Å; F160-V179 CarbonylContact C-O 3.55Å; F160-V179 WeakPolarHBondContact CA-O 3.41Å; F160-F180 HydrophobicContact CD1-CB 3.97Å; F160-F180 HydrophobicContact CE1-CB 3.69Å; F160-F180 HydrophobicContact CE1-CD2 4.13Å; F160-F180 HydrophobicContact CE1-CG 4.35Å; F160-F180 HydrophobicContact CE2-CD2 4.17Å; F160-F180 HydrophobicContact CZ-CB 4.32Å; F160-F180 AromaticContact CZ-CD2 3.94Å; F160-F180 HydrophobicContact CZ-CD2 3.94Å
161S95.5Very high93.9Very high0 Ų047.1 Ų47.10%027%0.269CS..EExtended strand (participates in β ladder)trans-91.7124.3171.6-173.50000110.2A127 L163 K178 V179 M343A127-S161 WeakPolarHBondContact CA-OG 3.49Å; S161-L163 PolarHBondContact O-N 3.42Å; S161-K178 CarbonylContact O-C 3.57Å; S161-K178 WeakPolarHBondContact O-CA 3.37Å; S161-V179 PolarHBondContact N-O 3.47Å; S161-V179 PolarHBondContact O-N 3.37Å; S161-M343 WeakPolarHBondContact OG-CE 3.39Å
162D93.5Very high93.8Very high3 Ų350 Ų502%0.01629%0.287CS..EExtended strand (participates in β ladder)trans-74.2114.2168.317610.6000109.8V124 V125 A127 E164 G165 R166 C167 F174V124-D162 HydrophobicContact CG1-CB 3.83Å; V125-D162 PolarHBondContact O-N 2.94Å; A127-D162 WeakPolarHBondContact CB-O 3.1Å; A127-D162 PolarHBondContact N-O 3.15Å; D162-E164 PolarHBondContact OD1-N 3.26Å; D162-G165 PolarHBondContact OD1-N 3.13Å; D162-G165 VanDerWaalsContact OD1-N 3.14Å; D162-G165 VanDerWaalsContact OD2-C 3.28Å; D162-G165 VanDerWaalsContact OD2-CA 3.23Å; D162-G165 WeakPolarHBondContact OD2-CA 3.14Å; D162-G165 PolarHBondContact OD2-N 2.88Å; D162-R166 PolarHBondContact OD2-N 2.73Å; D162-C167 HydrophobicContact CB-CB 4.23Å; D162-C167 WeakPolarHBondContact OD2-CB 3.47Å; D162-C167 PolarHBondContact OD2-N 3.1Å; D162-F174 HydrophobicContact CB-CE1 4.13Å
163L86.4Confident93.5Very high5 Ų555 Ų553%0.02630%0.303CS..SBendtrans-80.9-22.9-176.5-62.9-165000113.1S161 N177 V179 M343 A344S161-L163 PolarHBondContact O-N 3.42Å; L163-N177 PolarHBondContact N-O 3.49Å; L163-V179 HydrophobicContact CD1-CG2 3.59Å; L163-V179 HydrophobicContact CD2-CB 4.37Å; L163-V179 HydrophobicContact CD2-CG2 4.18Å; L163-V179 HydrophobicContact CG-CG2 4.02Å; L163-M343 HydrophobicContact CD2-CB 3.4Å; L163-M343 VanDerWaalsContact CD2-CB 3.4Å; L163-M343 HydrophobicContact CD2-CE 4.19Å; L163-M343 HydrophobicContact CD2-CG 4.29Å; L163-M343 HydrophobicContact CD2-SD 3.99Å; L163-A344 HydrophobicContact CB-CB 4.09Å; L163-A344 WeakPolarHBondContact O-CB 3.46Å
164E84.3Confident93.2Very high62 Ų6253.7 Ų53.729%0.2929%0.287SS..SBendtrans-105-7.4-172-64.1178.5-179.300112.4D162 R166 N177D162-E164 PolarHBondContact OD1-N 3.26Å; E164-R166 HydrophobicContact CB-CB 4.38Å; E164-R166 HydrophobicContact CB-CG 3.79Å; E164-R166 PolarHBondContact O-N 2.86Å; E164-R166 VanDerWaalsContact OE2-CD 3.29Å; E164-R166 WeakPolarHBondContact OE2-CD 3.47Å; E164-R166 IonicContact OE2-CZ 3.23Å; E164-R166 IonicContact OE2-NE 2.82Å; E164-R166 PolarHBondContact OE2-NE 3.36Å; E164-R166 IonicContact OE2-NH1 3.81Å; E164-N177 HydrophobicContact CG-CB 4.07Å; E164-N177 VanDerWaalsContact OE1-CB 3.28Å; E164-N177 WeakPolarHBondContact OE1-CB 3.49Å; E164-N177 PolarHBondContact OE1-ND2 2.73Å
165G85Confident92.8Very high64 Ų6460.4 Ų60.466%0.6631%0.305SS*.SBendtrans61.829.9-174.800000112.2D162D162-G165 PolarHBondContact OD1-N 3.13Å; D162-G165 VanDerWaalsContact OD1-N 3.14Å; D162-G165 VanDerWaalsContact OD2-C 3.28Å; D162-G165 VanDerWaalsContact OD2-CA 3.23Å; D162-G165 WeakPolarHBondContact OD2-CA 3.14Å; D162-G165 PolarHBondContact OD2-N 2.88Å
166R88.8Confident92.4Very high184 Ų18459 Ų5969%0.69431%0.305SS*.  trans-97.1-11.9-177.5-68.6-172.7-174.4-172.84.6113D162 E164 T168 F174D162-R166 PolarHBondContact OD2-N 2.73Å; E164-R166 HydrophobicContact CB-CB 4.38Å; E164-R166 HydrophobicContact CB-CG 3.79Å; E164-R166 PolarHBondContact O-N 2.86Å; E164-R166 VanDerWaalsContact OE2-CD 3.29Å; E164-R166 WeakPolarHBondContact OE2-CD 3.47Å; E164-R166 IonicContact OE2-CZ 3.23Å; E164-R166 IonicContact OE2-NE 2.82Å; E164-R166 PolarHBondContact OE2-NE 3.36Å; E164-R166 IonicContact OE2-NH1 3.81Å; R166-T168 PolarHBondContact O-N 3.16Å; R166-F174 HydrophobicContact CB-CE2 4.45Å; R166-F174 HydrophobicContact CB-CZ 4.41Å
167C91.2Very high91.9Very high13 Ų1358 Ų589%0.08830%0.302CS..SBendtrans-69124.1176.5-166.30000109.9V124 V145 D162 F174V124-C167 HydrophobicContact CG1-CB 4.47Å; V145-C167 HydrophobicContact CG1-CB 3.85Å; V145-C167 VanDerWaalsContact CG1-O 3.22Å; V145-C167 WeakPolarHBondContact CG1-O 3.41Å; D162-C167 HydrophobicContact CB-CB 4.23Å; D162-C167 WeakPolarHBondContact OD2-CB 3.47Å; D162-C167 PolarHBondContact OD2-N 3.1Å; C167-F174 HydrophobicContact CB-CD1 4.18Å; C167-F174 HydrophobicContact CB-CD2 3.75Å; C167-F174 HydrophobicContact CB-CE1 4.2Å; C167-F174 HydrophobicContact CB-CE2 3.78Å; C167-F174 HydrophobicContact CB-CG 3.96Å; C167-F174 HydrophobicContact CB-CZ 3.99Å
168T93.3Very high91.7Very high106 Ų10660.2 Ų60.265%0.6531%0.311SS*.PPolyproline II helixtrans-75.7131.2176.6-48.90000110.2R166 G170 A171R166-T168 PolarHBondContact O-N 3.16Å; T168-G170 PolarHBondContact O-N 3.26Å; T168-A171 VanDerWaalsContact O-CB 3.23Å; T168-A171 WeakPolarHBondContact O-CB 3.39Å; T168-A171 PolarHBondContact O-N 3.02Å
169R93.6Very high91.5Very high122 Ų12260.9 Ų60.946%0.4632%0.315SS..THydrogen-bonded Turntrans-57.5130.1176.9-169.6-179.7-17883.37.6110.5A141 P142 I144 V145 F194A141-R169 PolarHBondContact O-NH2 2.83Å; P142-R169 PolarHBondContact O-NH1 3Å; I144-R169 PolarHBondContact O-NH1 3.4Å; V145-R169 HydrophobicContact CG1-CB 4.39Å; V145-R169 CarbonylContact O-C 3.55Å; V145-R169 VanDerWaalsContact O-CA 3.29Å; V145-R169 WeakPolarHBondContact O-CA 3.29Å; R169-F194 HydrophobicContact CG-CD1 4.05Å; R169-F194 HydrophobicContact CG-CE1 3.85Å
170G92.8Very high91.4Very high27 Ų2761.3 Ų61.328%0.27832%0.317SS..THydrogen-bonded Turntrans85.29-175.300000113.8V145 T168 R190V145-G170 PolarHBondContact O-N 2.63Å; T168-G170 PolarHBondContact O-N 3.26Å; G170-R190 PolarHBondContact O-NH2 3.21Å
171A94.9Very high91.3Very high25 Ų2560.9 Ų60.921%0.20732%0.315CS..BIsolated β-bridgetrans-62.4154.8170.100000111.4A146 S147 T168 R190A146-A171 WeakPolarHBondContact CA-O 3.48Å; A146-A171 HydrophobicContact CB-CB 3.88Å; A146-A171 WeakPolarHBondContact CB-O 3.38Å; S147-A171 PolarHBondContact N-O 2.8Å; T168-A171 VanDerWaalsContact O-CB 3.23Å; T168-A171 WeakPolarHBondContact O-CB 3.39Å; T168-A171 PolarHBondContact O-N 3.02Å; A171-R190 PolarHBondContact O-NH1 3.14Å; A171-R190 PolarHBondContact O-NH2 3.45Å
172T94.3Very high91.4Very high66 Ų6660.9 Ų60.941%0.40532%0.315SS..SBendtrans-97.7-17.1176.654.40000113.3S147 K149S147-T172 CarbonylContact O-C 3.51Å; S147-T172 VanDerWaalsContact O-CA 3.27Å; S147-T172 WeakPolarHBondContact O-CA 3.29Å; K149-T172 HydrophobicContact CB-CG2 3.9Å; K149-T172 HydrophobicContact CG-CG2 4.13Å
173R90.6Very high91.6Very high213 Ų21361.1 Ų61.180%0.80432%0.317SS*.  trans-153.5156.3179.3-65.2-173.6177170.1-2.3109
174F91.5Very high92.1Very high26 Ų2660.9 Ų60.911%0.11432%0.315CS..  trans-144.9128.3173.7-177.4-122000110.3V124 D162 R166 C167 G176 K178V124-F174 HydrophobicContact CG1-CD1 4.2Å; V124-F174 HydrophobicContact CG2-CB 4Å; V124-F174 HydrophobicContact CG2-CD1 4.46Å; D162-F174 HydrophobicContact CB-CE1 4.13Å; R166-F174 HydrophobicContact CB-CE2 4.45Å; R166-F174 HydrophobicContact CB-CZ 4.41Å; C167-F174 HydrophobicContact CB-CD1 4.18Å; C167-F174 HydrophobicContact CB-CD2 3.75Å; C167-F174 HydrophobicContact CB-CE1 4.2Å; C167-F174 HydrophobicContact CB-CE2 3.78Å; C167-F174 HydrophobicContact CB-CG 3.96Å; C167-F174 HydrophobicContact CB-CZ 3.99Å; F174-G176 VanDerWaalsContact CZ-CA 3.43Å; F174-K178 HydrophobicContact CD1-CB 4.24Å; F174-K178 HydrophobicContact CD1-CD 4.16Å; F174-K178 HydrophobicContact CE1-CB 4.25Å; F174-K178 PolarHBondContact O-NZ 2.98Å
175Q86.6Confident92.8Very high194 Ų19459 Ų5991%0.90731%0.308SS*.  trans-110.42.8179.5-67.5-177.6-12.300112.9
176G88.8Confident93.4Very high33 Ų3356 Ų5634%0.3428%0.277SS..SBendtrans-72-174.4175.600000112.5F174 K178F174-G176 VanDerWaalsContact CZ-CA 3.43Å; G176-K178 PolarHBondContact O-N 2.8Å; G176-K178 VanDerWaalsContact O-N 3.13Å
177N89.2Confident93.8Very high67 Ų6751.1 Ų51.136%0.35826%0.262SS..SBendtrans-68.2110.5-178.4-170.67.7000111L163 E164L163-N177 PolarHBondContact N-O 3.49Å; E164-N177 HydrophobicContact CG-CB 4.07Å; E164-N177 VanDerWaalsContact OE1-CB 3.28Å; E164-N177 WeakPolarHBondContact OE1-CB 3.49Å; E164-N177 PolarHBondContact OE1-ND2 2.73Å
178K92Very high93.9Very high45 Ų4552.6 Ų52.620%0.19627%0.268CS..EExtended strand (participates in β ladder)trans-138.1146.6-176.269.8-174.2-174.6-1720111.1E122 F160 S161 F174 G176E122-K178 IonicContact OE1-NZ 2.6Å; E122-K178 PolarHBondContact OE1-NZ 3.36Å; E122-K178 IonicContact OE2-NZ 3.85Å; E122-K178 PolarHBondContact OE2-NZ 3.31Å; F160-K178 HydrophobicContact CB-CB 4.15Å; F160-K178 HydrophobicContact CB-CD 4.04Å; F160-K178 HydrophobicContact CB-CG 4.21Å; F160-K178 HydrophobicContact CD1-CB 4.47Å; F160-K178 HydrophobicContact CD1-CD 3.95Å; F160-K178 HydrophobicContact CD1-CG 3.82Å; F160-K178 HydrophobicContact CG-CD 4.02Å; F160-K178 HydrophobicContact CG-CG 4.26Å; S161-K178 CarbonylContact O-C 3.57Å; S161-K178 WeakPolarHBondContact O-CA 3.37Å; F174-K178 HydrophobicContact CD1-CB 4.24Å; F174-K178 HydrophobicContact CD1-CD 4.16Å; F174-K178 HydrophobicContact CE1-CB 4.25Å; F174-K178 PolarHBondContact O-NZ 2.98Å; G176-K178 PolarHBondContact O-N 2.8Å; G176-K178 VanDerWaalsContact O-N 3.13Å
179V93.9Very high94.1Very high14 Ų1449.8 Ų49.89%0.08525%0.249CC..EExtended strand (participates in β ladder)trans-116.3130.4-180167.30000110F9 P10 F160 S161 L163 M343F9-V179 HydrophobicContact CD1-CG1 3.38Å; F9-V179 HydrophobicContact CE1-CG1 3.43Å; F9-V179 VanDerWaalsContact CE1-CG1 3.43Å; P10-V179 HydrophobicContact CG-CG2 4.4Å; F160-V179 CarbonylContact C-O 3.55Å; F160-V179 WeakPolarHBondContact CA-O 3.41Å; S161-V179 PolarHBondContact N-O 3.47Å; S161-V179 PolarHBondContact O-N 3.37Å; L163-V179 HydrophobicContact CD1-CG2 3.59Å; L163-V179 HydrophobicContact CD2-CB 4.37Å; L163-V179 HydrophobicContact CD2-CG2 4.18Å; L163-V179 HydrophobicContact CG-CG2 4.02Å; V179-M343 HydrophobicContact CB-SD 4.1Å; V179-M343 HydrophobicContact CG1-SD 3.85Å
180F95.9Very high94.1Very high9 Ų945.8 Ų45.84%0.03923%0.234CC..EExtended strand (participates in β ladder)trans-66.6133.5174179.3-119.1000109.8V116 R118 V159 F160 G182 N183 L211V116-F180 HydrophobicContact CB-CE1 3.97Å; V116-F180 HydrophobicContact CB-CZ 4.41Å; V116-F180 HydrophobicContact CG1-CE1 3.78Å; V116-F180 HydrophobicContact CG1-CZ 3.7Å; R118-F180 HydrophobicContact CG-CD1 4.05Å; R118-F180 HydrophobicContact CG-CD2 4.18Å; R118-F180 HydrophobicContact CG-CE1 4.09Å; R118-F180 HydrophobicContact CG-CE2 4.24Å; R118-F180 HydrophobicContact CG-CG 4.09Å; R118-F180 HydrophobicContact CG-CZ 4.18Å; V159-F180 WeakPolarHBondContact O-CD2 3.45Å; F160-F180 HydrophobicContact CD1-CB 3.97Å; F160-F180 HydrophobicContact CE1-CB 3.69Å; F160-F180 HydrophobicContact CE1-CD2 4.13Å; F160-F180 HydrophobicContact CE1-CG 4.35Å; F160-F180 HydrophobicContact CE2-CD2 4.17Å; F160-F180 HydrophobicContact CZ-CB 4.32Å; F160-F180 AromaticContact CZ-CD2 3.94Å; F160-F180 HydrophobicContact CZ-CD2 3.94Å; F180-G182 VanDerWaalsContact CE2-C 3.45Å; F180-G182 WeakPolarHBondContact CE2-O 3.5Å; F180-G182 VanDerWaalsContact CZ-C 3.47Å; F180-G182 VanDerWaalsContact CZ-CA 3.41Å; F180-N183 WeakPolarHBondContact CE2-OD1 3.16Å; F180-N183 WeakPolarHBondContact CZ-OD1 3.4Å; F180-L211 HydrophobicContact CD1-CD1 3.98Å; F180-L211 HydrophobicContact CD1-CD2 4.01Å; F180-L211 HydrophobicContact CD1-CG 4.02Å; F180-L211 HydrophobicContact CE1-CD2 3.96Å; F180-L211 HydrophobicContact CE1-CG 4.16Å; F180-L211 WeakPolarHBondContact O-CD1 3.4Å
181V96.1Very high94.2Very high0 Ų048.6 Ų48.60%025%0.249CC..EExtended strand (participates in β ladder)trans-118.6-10.3178.8-61.30000113.3V133 L134 V159 L211V133-V181 HydrophobicContact CB-CG2 4.35Å; V133-V181 HydrophobicContact CG1-CB 4.11Å; V133-V181 HydrophobicContact CG1-CG2 3.81Å; L134-V181 HydrophobicContact CD1-CG1 4.38Å; L134-V181 HydrophobicContact CD2-CB 4.06Å; L134-V181 HydrophobicContact CD2-CG1 4.06Å; L134-V181 HydrophobicContact CG-CB 4.43Å; L134-V181 HydrophobicContact CG-CG1 4.1Å; V159-V181 HydrophobicContact CB-CG2 3.84Å; V159-V181 HydrophobicContact CG1-CG2 3.64Å; V159-V181 WeakPolarHBondContact O-CG2 3.12Å; V159-V181 PolarHBondContact O-N 3.45Å; V181-L211 PolarHBondContact O-N 2.98Å
182G96.8Very high94.1Very high0 Ų049.5 Ų49.50%026%0.257CS..EExtended strand (participates in β ladder)trans140.8-176.6175.400000113.6V159 F180 D209V159-G182 PolarHBondContact N-O 3.22Å; F180-G182 VanDerWaalsContact CE2-C 3.45Å; F180-G182 WeakPolarHBondContact CE2-O 3.5Å; F180-G182 VanDerWaalsContact CZ-C 3.47Å; F180-G182 VanDerWaalsContact CZ-CA 3.41Å; G182-D209 WeakPolarHBondContact CA-O 3.44Å
183N97.8Very high94Very high9 Ų946.5 Ų46.55%0.04824%0.238CC..EExtended strand (participates in β ladder)trans-105.3149.1177.5-59.9-35.2000112V116 E117 M156 V157 S158 F180 V208 D209V116-N183 VanDerWaalsContact CG1-ND2 3.34Å; V116-N183 WeakPolarHBondContact CG1-ND2 3.22Å; E117-N183 PolarHBondContact O-ND2 3.35Å; M156-N183 HydrophobicContact CE-CB 4.26Å; V157-N183 WeakPolarHBondContact O-CA 3.44Å; S158-N183 WeakPolarHBondContact CA-OD1 3.43Å; S158-N183 PolarHBondContact OG-OD1 3.01Å; F180-N183 WeakPolarHBondContact CE2-OD1 3.16Å; F180-N183 WeakPolarHBondContact CZ-OD1 3.4Å; N183-V208 PolarHBondContact O-N 2.8Å; N183-D209 HydrophobicContact CB-CB 4.25Å; N183-D209 PolarHBondContact N-O 2.87Å; N183-D209 PolarHBondContact O-N 2.85Å
184G97.3Very high94.2Very high0 Ų038.3 Ų38.30%021%0.209CC..EExtended strand (participates in β ladder)trans-148.5165.6-179.700000112.9V157 R206V157-G184 PolarHBondContact N-O 3.49Å; V157-G184 PolarHBondContact O-N 3.31Å; G184-R206 CarbonylContact C-O 3.45Å; G184-R206 WeakPolarHBondContact CA-O 3.33Å
185V97.8Very high93.9Very high23 Ų2339.2 Ų39.214%0.13922%0.22CC..EExtended strand (participates in β ladder)trans-98.4128.6173-179.20000108.5M156 E187 V205 R206 V208M156-V185 HydrophobicContact SD-CB 4.49Å; M156-V185 HydrophobicContact SD-CG2 3.46Å; M156-V185 WeakPolarHBondContact SD-CG2 3.24Å; V185-E187 PolarHBondContact O-N 3.27Å; V185-V205 CarbonylContact O-C 3.47Å; V185-V205 WeakPolarHBondContact O-CA 3.31Å; V185-V205 WeakPolarHBondContact O-CG1 3.47Å; V185-R206 PolarHBondContact N-O 3.42Å; V185-R206 PolarHBondContact O-N 2.99Å; V185-V208 HydrophobicContact CG2-CG1 3.84Å; V185-V208 HydrophobicContact CG2-CG2 4.35Å
186A97.6Very high93.5Very high0 Ų036.8 Ų36.80%022%0.219CC..EExtended strand (participates in β ladder)trans-59.8125.2171.300000110.9M151 K152 A153 G154 D155M151-A186 HydrophobicContact CE-CB 3.25Å; M151-A186 HydrophobicContact CG-CB 4.31Å; K152-A186 WeakPolarHBondContact O-CB 3.21Å; A153-A186 CarbonylContact C-O 3.55Å; A153-A186 WeakPolarHBondContact CA-O 3.46Å; G154-A186 PolarHBondContact N-O 2.89Å; D155-A186 HydrophobicContact CB-CB 4.23Å; D155-A186 WeakPolarHBondContact O-CB 3.38Å; D155-A186 PolarHBondContact O-N 2.91Å
187E97.1Very high93.1Very high82 Ų8243.8 Ų43.838%0.38324%0.243SC..  trans-101.9-4.1173.4-62.2-66.6170.400111.3V185 V203 G204 R206V185-E187 PolarHBondContact O-N 3.27Å; E187-V203 WeakPolarHBondContact CB-O 3.32Å; E187-V203 HydrophobicContact CG-CG1 4.05Å; E187-G204 PolarHBondContact N-O 2.86Å; E187-R206 HydrophobicContact CG-CB 3.87Å; E187-R206 VanDerWaalsContact OE1-CB 3.32Å; E187-R206 WeakPolarHBondContact OE1-CB 3.13Å; E187-R206 IonicContact OE1-CZ 3.49Å; E187-R206 IonicContact OE1-NE 3.6Å; E187-R206 PolarHBondContact OE1-NE 3.18Å; E187-R206 IonicContact OE1-NH2 3.19Å
188M95.2Very high92.5Very high44 Ų4445.5 Ų45.522%0.21726%0.256CS..SBendtrans-141.2145-178.1-65.9-171.6165.300112A141 I193 A200 R201A141-M188 HydrophobicContact CB-SD 3.84Å; M188-I193 HydrophobicContact CB-CD1 4.16Å; M188-I193 HydrophobicContact CB-CG1 3.87Å; M188-I193 HydrophobicContact SD-CG1 4.46Å; M188-A200 HydrophobicContact SD-CB 4.49Å; M188-R201 WeakPolarHBondContact CE-O 3.4Å
189D96.1Very high92Very high47 Ų4748.7 Ų48.725%0.25128%0.282SS..  trans-66.3148.2167.1-80.916.9000111.1K152 A153 S191 A192 I193K152-D189 WeakPolarHBondContact CA-OD1 3.33Å; K152-D189 WeakPolarHBondContact CD-OD1 3.5Å; K152-D189 VanDerWaalsContact CD-OD2 3.3Å; K152-D189 WeakPolarHBondContact CD-OD2 3.42Å; K152-D189 IonicContact NZ-OD2 3.26Å; K152-D189 PolarHBondContact NZ-OD2 2.88Å; A153-D189 PolarHBondContact N-OD1 3.37Å; D189-S191 PolarHBondContact O-N 3.2Å; D189-A192 WeakPolarHBondContact O-CB 3.44Å; D189-A192 PolarHBondContact O-N 2.84Å; D189-I193 PolarHBondContact O-N 2.97Å; D189-I193 VanDerWaalsContact O-N 3.15Å
190R95.1Very high91.6Very high38 Ų3848.9 Ų48.914%0.14328%0.284CS..Hα-helixtrans-53.7-40.1174.2175.8174.317187.52113.2S147 P148 M151 G170 A171 A192 I193 F194S147-R190 PolarHBondContact O-NH1 3.36Å; S147-R190 WeakPolarHBondContact OG-CD 3.46Å; S147-R190 WeakPolarHBondContact OG-CG 3.37Å; S147-R190 PolarHBondContact OG-NH1 2.78Å; P148-R190 VanDerWaalsContact O-CD 3.22Å; P148-R190 WeakPolarHBondContact O-CD 3.36Å; M151-R190 HydrophobicContact CB-CB 4.43Å; M151-R190 PolarHBondContact O-N 2.92Å; G170-R190 PolarHBondContact O-NH2 3.21Å; A171-R190 PolarHBondContact O-NH1 3.14Å; A171-R190 PolarHBondContact O-NH2 3.45Å; R190-A192 PolarHBondContact O-N 3.48Å; R190-I193 PolarHBondContact O-N 3.37Å; R190-F194 HydrophobicContact CG-CD2 3.75Å; R190-F194 HydrophobicContact CG-CE2 4.02Å; R190-F194 WeakPolarHBondContact O-CD2 3.27Å; R190-F194 PolarHBondContact O-N 3.18Å; R190-F194 VanDerWaalsContact O-N 3.16Å
191S93.4Very high91.3Very high85 Ų8558.5 Ų58.559%0.59432%0.32SS*.Hα-helixtrans-63.6-31.7179.749.70000112.4D189 A195D189-S191 PolarHBondContact O-N 3.2Å; S191-A195 PolarHBondContact O-N 2.8Å
192A93.1Very high91Very high44 Ų4460.1 Ų60.136%0.36434%0.337SS..Hα-helixtrans-73.4-43.817500000111.2D189 R190 F194 A195D189-A192 WeakPolarHBondContact O-CB 3.44Å; D189-A192 PolarHBondContact O-N 2.84Å; R190-A192 PolarHBondContact O-N 3.48Å; A192-F194 VanDerWaalsContact C-N 3.31Å; A192-F194 PolarHBondContact O-N 3.18Å; A192-A195 PolarHBondContact O-N 3.35Å
193I93.1Very high90.9Very high3 Ų362 Ų622%0.01535%0.348CS..Hα-helixtrans-60.3-39.7-179.2-64.6164.8000112.3I144 M151 M188 D189 R190I144-I193 HydrophobicContact CB-CG2 3.91Å; I144-I193 HydrophobicContact CD1-CD1 3.74Å; I144-I193 HydrophobicContact CD1-CG1 4.24Å; I144-I193 HydrophobicContact CD1-CG2 4.25Å; I144-I193 HydrophobicContact CG2-CG2 3.99Å; M151-I193 HydrophobicContact CE-CD1 4.4Å; M188-I193 HydrophobicContact CB-CD1 4.16Å; M188-I193 HydrophobicContact CB-CG1 3.87Å; M188-I193 HydrophobicContact SD-CG1 4.46Å; D189-I193 PolarHBondContact O-N 2.97Å; D189-I193 VanDerWaalsContact O-N 3.15Å; R190-I193 PolarHBondContact O-N 3.37Å
194F93.3Very high90.8Very high42 Ų4261.6 Ų61.618%0.18435%0.346CS..THydrogen-bonded Turntrans-109.222.4-176.7-56-69.2000113.5I144 V145 R169 R190 A192I144-F194 HydrophobicContact CG2-CZ 4.06Å; V145-F194 WeakPolarHBondContact O-CE1 3.44Å; V145-F194 WeakPolarHBondContact O-CZ 3.36Å; R169-F194 HydrophobicContact CG-CD1 4.05Å; R169-F194 HydrophobicContact CG-CE1 3.85Å; R190-F194 HydrophobicContact CG-CD2 3.75Å; R190-F194 HydrophobicContact CG-CE2 4.02Å; R190-F194 WeakPolarHBondContact O-CD2 3.27Å; R190-F194 PolarHBondContact O-N 3.18Å; R190-F194 VanDerWaalsContact O-N 3.16Å; A192-F194 VanDerWaalsContact C-N 3.31Å; A192-F194 PolarHBondContact O-N 3.18Å
195A86.9Confident90.9Very high44 Ų4461.6 Ų61.636%0.36435%0.346SS..  trans-58.7138.5173.100000110.8S191 A192S191-A195 PolarHBondContact O-N 2.8Å; A192-A195 PolarHBondContact O-N 3.35Å
196T77.7Confident90.8Very high143 Ų14365.4 Ų65.488%0.87736%0.358SS*.SBendtrans-85.9-23.2-174.747.30000113.8
197E79Confident90.7Very high180 Ų18066.3 Ų66.384%0.84136%0.363SS*.SBendtrans-83.9-42.2-172.5-62.7-175.6174.900112.8
198T77.3Confident90.6Very high103 Ų10365.6 Ų65.663%0.63236%0.363SS*.SBendtrans-133.5126.1179.948.40000110.5A200T198-A200 PolarHBondContact O-N 3.19Å
199P81.9Confident90.6Very high113 Ų11366 Ų6673%0.73437%0.367SS*.  trans-61.3121.8174.9-21.832000110.4
200A85.8Confident90.5Very high17 Ų1764.7 Ų64.714%0.1436%0.36CS..  trans-58.7140176.500000111.4A141 P142 M188 T198A141-A200 HydrophobicContact CB-CB 3.67Å; P142-A200 WeakPolarHBondContact CG-O 3.17Å; M188-A200 HydrophobicContact SD-CB 4.49Å; T198-A200 PolarHBondContact O-N 3.19Å
201R88.6Confident90.5Very high211 Ų21163.3 Ų63.380%0.79636%0.356SS*.  trans-129.4159.5177.3-63.7-174.6-177.8-175.31.3109.7M188M188-R201 WeakPolarHBondContact CE-O 3.4Å
202G91.1Very high90.4Very high34 Ų3460 Ų6035%0.35133%0.33SS..SBendtrans92.5-175.2-177.400000112.7F140 A141 G204F140-G202 CarbonylContact C-O 3.48Å; F140-G202 VanDerWaalsContact CA-O 3.28Å; F140-G202 WeakPolarHBondContact CA-O 3.43Å; F140-G202 WeakPolarHBondContact CD1-O 3.44Å; A141-G202 PolarHBondContact N-O 2.96Å; G202-G204 PolarHBondContact O-N 3.17Å
203V94.4Very high90.3Very high40 Ų4060.5 Ų60.524%0.24233%0.325CS..EExtended strand (participates in β ladder)trans-70.9121.7-177.2-178.60000109.1H138 F140 E187 R206H138-V203 HydrophobicContact CB-CG1 3.92Å; H138-V203 HydrophobicContact CB-CG2 4.33Å; F140-V203 HydrophobicContact CD1-CG2 4.34Å; F140-V203 HydrophobicContact CE1-CG2 3.92Å; F140-V203 HydrophobicContact CZ-CG2 4.3Å; E187-V203 WeakPolarHBondContact CB-O 3.32Å; E187-V203 HydrophobicContact CG-CG1 4.05Å; V203-R206 HydrophobicContact CG1-CB 4.35Å
204G96.1Very high90.2Very high0 Ų060.9 Ų60.90%033%0.328CS..EExtended strand (participates in β ladder)trans-95.5-33.917300000112.4V139 E187 G202V139-G204 PolarHBondContact O-N 3.24Å; E187-G204 PolarHBondContact N-O 2.86Å; G202-G204 PolarHBondContact O-N 3.17Å
205V97.4Very high89.9Confident0 Ų060.2 Ų60.20%033%0.327CS..EExtended strand (participates in β ladder)trans-136.4122.3170.9-172.20000109.5L123 V139 I144 M151 V157 V159 V185 M207L123-V205 HydrophobicContact CD1-CG2 3.58Å; L123-V205 HydrophobicContact CD2-CG2 4.17Å; L123-V205 HydrophobicContact CG-CG2 4.47Å; V139-V205 HydrophobicContact CB-CB 3.88Å; V139-V205 HydrophobicContact CB-CG2 4.37Å; V139-V205 HydrophobicContact CG1-CG2 4.49Å; V139-V205 HydrophobicContact CG2-CB 4.23Å; V139-V205 PolarHBondContact N-O 3.46Å; V139-V205 PolarHBondContact O-N 2.9Å; I144-V205 HydrophobicContact CD1-CG2 4.27Å; M151-V205 HydrophobicContact CE-CG2 4.22Å; V157-V205 HydrophobicContact CG2-CG1 3.77Å; V157-V205 HydrophobicContact CG2-CG2 4.17Å; V159-V205 HydrophobicContact CG2-CG1 4.17Å; V185-V205 CarbonylContact O-C 3.47Å; V185-V205 WeakPolarHBondContact O-CA 3.31Å; V185-V205 WeakPolarHBondContact O-CG1 3.47Å; V205-M207 HydrophobicContact CG1-SD 4.46Å
206R96.7Very high90.1Very high104 Ų10458.6 Ų58.639%0.39231%0.314SS..EExtended strand (participates in β ladder)trans-82.8113.4170.2-178.6169.957.3111.43.9108.8G184 V185 E187 V203 V208G184-R206 CarbonylContact C-O 3.45Å; G184-R206 WeakPolarHBondContact CA-O 3.33Å; V185-R206 PolarHBondContact N-O 3.42Å; V185-R206 PolarHBondContact O-N 2.99Å; E187-R206 HydrophobicContact CG-CB 3.87Å; E187-R206 VanDerWaalsContact OE1-CB 3.32Å; E187-R206 WeakPolarHBondContact OE1-CB 3.13Å; E187-R206 IonicContact OE1-CZ 3.49Å; E187-R206 IonicContact OE1-NE 3.6Å; E187-R206 PolarHBondContact OE1-NE 3.18Å; E187-R206 IonicContact OE1-NH2 3.19Å; V203-R206 HydrophobicContact CG1-CB 4.35Å; R206-V208 PolarHBondContact O-N 3.19Å
207M96.2Very high90.6Very high19 Ų1953.4 Ų53.49%0.09428%0.279CS..EExtended strand (participates in β ladder)trans-68125177.8-61.2-56.7-61.900109.9V133 H138 V139 V159 V205V133-M207 HydrophobicContact CG1-CE 3.77Å; V133-M207 HydrophobicContact CG1-CG 4.01Å; V133-M207 HydrophobicContact CG1-SD 4.12Å; V133-M207 HydrophobicContact CG2-CG 4.43Å; H138-M207 PolarHBondContact ND1-N 2.95Å; V139-M207 HydrophobicContact CG2-CG 4.47Å; V139-M207 HydrophobicContact CG2-SD 3.88Å; V159-M207 HydrophobicContact CB-CE 4.3Å; V159-M207 HydrophobicContact CB-SD 4.33Å; V159-M207 HydrophobicContact CG2-CE 4.16Å; V159-M207 HydrophobicContact CG2-SD 3.75Å; V205-M207 HydrophobicContact CG1-SD 4.46Å
208V94.4Very high91Very high66 Ų6649.5 Ų49.540%0.426%0.264SS..EExtended strand (participates in β ladder)trans-116.2-27.7-179.1-61.50000112.5M156 N183 V185 R206M156-V208 HydrophobicContact CE-CG2 3.86Å; M156-V208 HydrophobicContact SD-CG2 4.24Å; N183-V208 PolarHBondContact O-N 2.8Å; V185-V208 HydrophobicContact CG2-CG1 3.84Å; V185-V208 HydrophobicContact CG2-CG2 4.35Å; R206-V208 PolarHBondContact O-N 3.19Å
209D94.4Very high91.4Very high54 Ų5447.2 Ų47.229%0.28926%0.261SS..EExtended strand (participates in β ladder)trans-137.670.5177.3-163.422.9000111.3R114 V116 G182 N183R114-D209 IonicContact CZ-OD1 3.26Å; R114-D209 IonicContact NH1-OD1 3.01Å; R114-D209 PolarHBondContact NH1-OD1 2.82Å; R114-D209 IonicContact NH2-OD1 3.46Å; R114-D209 PolarHBondContact NH2-OD1 2.82Å; V116-D209 HydrophobicContact CG1-CB 4.46Å; V116-D209 WeakPolarHBondContact CG1-OD2 3.32Å; G182-D209 WeakPolarHBondContact CA-O 3.44Å; N183-D209 HydrophobicContact CB-CB 4.25Å; N183-D209 PolarHBondContact N-O 2.87Å; N183-D209 PolarHBondContact O-N 2.85Å
210P94.8Very high91.8Very high18 Ų1842 Ų4212%0.11723%0.227CC..EExtended strand (participates in β ladder)trans-73.5151.3-178.931-37.8000113.2R114 Y212R114-P210 VanDerWaalsContact CZ-O 3.23Å; R114-P210 PolarHBondContact NE-O 3.11Å; R114-P210 VanDerWaalsContact NH2-N 3.16Å; R114-P210 PolarHBondContact NH2-O 3.21Å; P210-Y212 WeakPolarHBondContact CB-O 3.21Å; P210-Y212 PolarHBondContact O-N 3.12Å
211L94.1Very high92.1Very high10 Ų1042.8 Ų42.85%0.05223%0.229CC..SBendtrans-60.7-35.3173.6-78-178.1000112.9V8 F9 P113 R114 V116 F180 V181V8-L211 HydrophobicContact CG1-CD1 4.19Å; F9-L211 HydrophobicContact CE1-CD1 3.76Å; F9-L211 HydrophobicContact CZ-CD1 3.9Å; P113-L211 WeakPolarHBondContact CA-O 3.45Å; R114-L211 PolarHBondContact N-O 2.87Å; R114-L211 WeakPolarHBondContact O-CD2 3.44Å; V116-L211 HydrophobicContact CB-CD2 4.07Å; V116-L211 HydrophobicContact CG2-CD2 4.2Å; F180-L211 HydrophobicContact CD1-CD1 3.98Å; F180-L211 HydrophobicContact CD1-CD2 4.01Å; F180-L211 HydrophobicContact CD1-CG 4.02Å; F180-L211 HydrophobicContact CE1-CD2 3.96Å; F180-L211 HydrophobicContact CE1-CG 4.16Å; F180-L211 WeakPolarHBondContact O-CD1 3.4Å; V181-L211 PolarHBondContact O-N 2.98Å
212Y92.9Very high92.3Very high14 Ų1436.3 Ų36.36%0.05521%0.214CC..SBendtrans-119.8120.5173.8-71.8-98.2000108.7F9 H53 P54 V110 D111 G112 P113 L134 P210 S214F9-Y212 HydrophobicContact CD2-CE2 4.34Å; F9-Y212 HydrophobicContact CE2-CD2 4.07Å; F9-Y212 AromaticContact CE2-CE2 3.32Å; F9-Y212 HydrophobicContact CE2-CE2 3.32Å; F9-Y212 HydrophobicContact CZ-CD2 4.17Å; F9-Y212 AromaticContact CZ-CE2 3.65Å; F9-Y212 HydrophobicContact CZ-CE2 3.65Å; H53-Y212 PolarHBondContact CD2-OH 3.28Å; H53-Y212 VanDerWaalsContact CD2-OH 3.31Å; P54-Y212 HydrophobicContact CG-CD1 3.38Å; P54-Y212 HydrophobicContact CG-CD2 3.92Å; P54-Y212 HydrophobicContact CG-CE1 3.62Å; P54-Y212 HydrophobicContact CG-CE2 4.17Å; P54-Y212 HydrophobicContact CG-CG 3.53Å; V110-Y212 HydrophobicContact CG1-CD1 3.96Å; V110-Y212 HydrophobicContact CG1-CG 4.48Å; D111-Y212 CarbonylContact O-C 3.6Å; G112-Y212 VanDerWaalsContact C-CE1 3.49Å; P113-Y212 HydrophobicContact CB-CE1 4.38Å; P113-Y212 HydrophobicContact CB-CE2 3.93Å; L134-Y212 HydrophobicContact CD2-CD2 3.86Å; P210-Y212 WeakPolarHBondContact CB-O 3.21Å; P210-Y212 PolarHBondContact O-N 3.12Å; Y212-S214 PolarHBondContact O-N 3.23Å
213K90.4Very high92.4Very high56 Ų5636.9 Ų36.924%0.24321%0.213CC..BIsolated β-bridgetrans-91.3108.4-179.6-171.5172.9-179.5178.70109.1E91 D111E91-K213 IonicContact OE1-NZ 2.63Å; E91-K213 PolarHBondContact OE1-NZ 2.93Å; E91-K213 WeakPolarHBondContact OE2-CE 3.32Å; E91-K213 IonicContact OE2-NZ 3.86Å; E91-K213 PolarHBondContact OE2-NZ 3.1Å; D111-K213 HydrophobicContact CB-CB 4.21Å; D111-K213 PolarHBondContact N-O 3.16Å; D111-K213 PolarHBondContact O-N 2.71Å
214S89.9Confident92.4Very high11 Ų1137.6 Ų37.68%0.07721%0.214CC..  trans-132.4142171.7171.80000107.5T58 R135 G136 Y212T58-S214 PolarHBondContact OG1-OG 3.4Å; R135-S214 WeakPolarHBondContact O-CB 3.43Å; R135-S214 PolarHBondContact O-OG 3.39Å; G136-S214 VanDerWaalsContact CA-O 3.23Å; G136-S214 WeakPolarHBondContact CA-O 3.47Å; Y212-S214 PolarHBondContact O-N 3.23Å
215P88.7Confident92.4Very high27 Ų2738.1 Ų38.118%0.17522%0.217CC..  trans-60.9150.4177-22.133.5000112.8L80 V94 L108 F217L80-P215 HydrophobicContact CD1-CB 4.03Å; L80-P215 HydrophobicContact CD1-CG 4.09Å; L80-P215 HydrophobicContact CD2-CB 3.81Å; V94-P215 HydrophobicContact CG1-CG 4.17Å; L108-P215 HydrophobicContact CD2-CG 3.91Å; P215-F217 HydrophobicContact CB-CE2 4.13Å; P215-F217 WeakPolarHBondContact O-CD2 3.29Å
216S89.8Confident92.4Very high11 Ų1139.9 Ų39.98%0.07723%0.225CC..  trans-82.7129.3170.6-179.30000109.8Q83 G136 D218 V220Q83-S216 PolarHBondContact NE2-O 2.69Å; Q83-S216 VanDerWaalsContact NE2-O 3.12Å; Q83-S216 PolarHBondContact OE1-O 3.42Å; G136-S216 WeakPolarHBondContact O-CA 3.46Å; S216-D218 PolarHBondContact OG-N 2.94Å; S216-V220 WeakPolarHBondContact O-CG2 3.34Å
217F88.8Confident92.4Very high33 Ų3338.7 Ų38.715%0.14523%0.226CC..  trans-101.313.2177.4-75.1-92.7000112.8T58 V60 L76 L108 P215 G219 V220 L227T58-F217 HydrophobicContact CG2-CD2 4.35Å; T58-F217 HydrophobicContact CG2-CE2 3.67Å; T58-F217 HydrophobicContact CG2-CZ 4.24Å; V60-F217 HydrophobicContact CG1-CE1 4.41Å; V60-F217 HydrophobicContact CG2-CD1 4.27Å; V60-F217 HydrophobicContact CG2-CE1 3.41Å; V60-F217 VanDerWaalsContact CG2-CE1 3.41Å; V60-F217 HydrophobicContact CG2-CE2 4.28Å; V60-F217 HydrophobicContact CG2-CZ 3.42Å; V60-F217 VanDerWaalsContact CG2-CZ 3.42Å; L76-F217 HydrophobicContact CD1-CE1 3.98Å; L76-F217 HydrophobicContact CD2-CE1 4.36Å; L108-F217 HydrophobicContact CD1-CZ 4.02Å; L108-F217 HydrophobicContact CD2-CZ 3.88Å; P215-F217 HydrophobicContact CB-CE2 4.13Å; P215-F217 WeakPolarHBondContact O-CD2 3.29Å; F217-G219 PolarHBondContact O-N 3.42Å; F217-V220 HydrophobicContact CD1-CB 4.43Å; F217-V220 HydrophobicContact CD1-CG1 4.49Å; F217-V220 PolarHBondContact O-N 2.93Å; F217-L227 HydrophobicContact CB-CD1 3.92Å; F217-L227 HydrophobicContact CD2-CD1 3.85Å; F217-L227 HydrophobicContact CG-CD1 3.99Å
218D87.2Confident92.4Very high98 Ų9838.4 Ų38.452%0.52422%0.224SC..THydrogen-bonded Turntrans-67116.7174.1-170.432.1000110F140 S216 V220F140-D218 HydrophobicContact CZ-CB 4.47Å; F140-D218 WeakPolarHBondContact CZ-OD2 3.17Å; S216-D218 PolarHBondContact OG-N 2.94Å; D218-V220 PolarHBondContact O-N 2.64Å
219G85.5Confident92.6Very high56 Ų5637.6 Ų37.658%0.57722%0.218SC*.THydrogen-bonded Turntrans70.34.7-179.200000116.2F217 L221 P222F217-G219 PolarHBondContact O-N 3.42Å; G219-L221 PolarHBondContact O-N 3.41Å; G219-P222 WeakPolarHBondContact O-CD 3.3Å
220V89.9Confident92.7Very high4 Ų435.3 Ų35.32%0.02421%0.206CC..SBendtrans-80.4114-178.6178.80000110.3L76 E79 L80 S216 F217 D218 P222 V225L76-V220 HydrophobicContact CD1-CG1 3.43Å; L76-V220 VanDerWaalsContact CD1-CG1 3.43Å; E79-V220 HydrophobicContact CB-CG1 4.28Å; E79-V220 HydrophobicContact CG-CG1 3.94Å; L80-V220 HydrophobicContact CD2-CG1 4.29Å; L80-V220 HydrophobicContact CD2-CG2 4.31Å; S216-V220 WeakPolarHBondContact O-CG2 3.34Å; F217-V220 HydrophobicContact CD1-CB 4.43Å; F217-V220 HydrophobicContact CD1-CG1 4.49Å; F217-V220 PolarHBondContact O-N 2.93Å; D218-V220 PolarHBondContact O-N 2.64Å; V220-P222 VanDerWaalsContact C-N 3.32Å; V220-V225 WeakPolarHBondContact O-CG2 3.49Å
221L92.8Very high92.9Very high32 Ų3234.5 Ų34.517%0.16820%0.2CC..SBendtrans40.752.9176-60179.7000113.8L76 E79 G219 S223 M224 V225L76-L221 HydrophobicContact CB-CD1 3.98Å; L76-L221 HydrophobicContact CD1-CD1 4.35Å; E79-L221 HydrophobicContact CB-CG 4.39Å; G219-L221 PolarHBondContact O-N 3.41Å; L221-S223 PolarHBondContact O-N 3.35Å; L221-M224 HydrophobicContact CB-CB 4.22Å; L221-M224 PolarHBondContact O-N 3.23Å; L221-V225 HydrophobicContact CB-CG1 4.4Å; L221-V225 HydrophobicContact CB-CG2 3.99Å; L221-V225 WeakPolarHBondContact O-CG2 3.21Å; L221-V225 PolarHBondContact O-N 2.67Å
222P92.1Very high93.1Very high75 Ų7534.7 Ų34.749%0.48720%0.202SC..THydrogen-bonded Turntrans-61.7-22.1-16525.3-36000114.1G219 V220 T290G219-P222 WeakPolarHBondContact O-CD 3.3Å; V220-P222 VanDerWaalsContact C-N 3.32Å; P222-T290 HydrophobicContact CB-CG2 3.93Å; P222-T290 WeakPolarHBondContact O-CG2 3.42Å
223S94.1Very high93.4Very high47 Ų4734 Ų3433%0.32920%0.2SC..THydrogen-bonded Turntrans-85.6-22174.554.90000114.1L66 L221 T290 L291L66-S223 WeakPolarHBondContact CD1-O 3.41Å; L221-S223 PolarHBondContact O-N 3.35Å; S223-T290 WeakPolarHBondContact CA-O 3.23Å; S223-T290 VanDerWaalsContact CB-O 3.23Å; S223-T290 WeakPolarHBondContact CB-O 3.48Å; S223-L291 VanDerWaalsContact O-CD2 3.32Å; S223-L291 WeakPolarHBondContact O-CD2 3.44Å
224M95Very high93.8Very high55 Ų5531.3 Ų31.327%0.27119%0.188SC..THydrogen-bonded Turntrans-104.9-27.5-174.6-63.5-178.9167.300113.3S63 I72 L221S63-M224 VanDerWaalsContact CB-O 3.29Å; S63-M224 WeakPolarHBondContact CB-O 3.2Å; S63-M224 PolarHBondContact N-O 3.27Å; S63-M224 PolarHBondContact OG-O 3.07Å; S63-M224 VanDerWaalsContact OG-O 3.11Å; I72-M224 HydrophobicContact CG1-CB 4.4Å; I72-M224 HydrophobicContact CG2-CB 4.25Å; L221-M224 HydrophobicContact CB-CB 4.22Å; L221-M224 PolarHBondContact O-N 3.23Å
225V96.1Very high94.2Very high10 Ų1030.8 Ų30.86%0.06118%0.184CC..EExtended strand (participates in β ladder)trans-125147-176.4-57.80000112.4V60 R61 I72 L76 V220 L221V60-V225 HydrophobicContact CG1-CB 3.54Å; V60-V225 HydrophobicContact CG1-CG1 3.89Å; V60-V225 HydrophobicContact CG1-CG2 4.38Å; R61-V225 WeakPolarHBondContact O-CA 3Å; I72-V225 HydrophobicContact CG2-CG1 3.75Å; L76-V225 HydrophobicContact CD2-CG1 4.49Å; V220-V225 WeakPolarHBondContact O-CG2 3.49Å; L221-V225 HydrophobicContact CB-CG1 4.4Å; L221-V225 HydrophobicContact CB-CG2 3.99Å; L221-V225 WeakPolarHBondContact O-CG2 3.21Å; L221-V225 PolarHBondContact O-N 2.67Å
226F96.7Very high94.6Very high38 Ų3829.6 Ų29.617%0.16718%0.176CC..EExtended strand (participates in β ladder)trans-135.1122.5175.7-164.6-77.7000109.9R61 Q228 N287 L291R61-F226 PolarHBondContact N-O 2.88Å; R61-F226 PolarHBondContact O-N 3.21Å; F226-Q228 HydrophobicContact CD1-CB 4.08Å; F226-Q228 PolarHBondContact O-N 3.22Å; F226-N287 HydrophobicContact CE2-CB 4.38Å; F226-L291 HydrophobicContact CD2-CD1 4.01Å
227L96.3Very high95.1Very high78 Ų7830.5 Ų30.541%0.40818%0.18SC..EExtended strand (participates in β ladder)trans-71.8113.1178.4-155.8164.7000109.3F217F217-L227 HydrophobicContact CB-CD1 3.92Å; F217-L227 HydrophobicContact CD2-CD1 3.85Å; F217-L227 HydrophobicContact CG-CD1 3.99Å
228Q97Very high95.5Very high13 Ų1329 Ų296%0.06117%0.173CC..  trans-147.6130.4-174.8-168164.6-6.900109.4C59 R61 F226 S232 V233C59-Q228 CarbonylContact C-O 3.56Å; C59-Q228 VanDerWaalsContact CB-O 3.28Å; C59-Q228 WeakPolarHBondContact CB-O 3.33Å; C59-Q228 PolarHBondContact O-N 3.43Å; C59-Q228 VanDerWaalsContact O-O 3.07Å; C59-Q228 PolarHBondContact SG-O 3.02Å; R61-Q228 HydrophobicContact CB-CB 4.38Å; F226-Q228 HydrophobicContact CD1-CB 4.08Å; F226-Q228 PolarHBondContact O-N 3.22Å; Q228-S232 PolarHBondContact NE2-O 3.48Å; Q228-V233 HydrophobicContact CB-CG2 3.86Å; Q228-V233 HydrophobicContact CG-CG2 3.69Å
229N97.5Very high96.1Very high49 Ų4924.3 Ų24.326%0.26215%0.148SC..  trans-62.6143.3177.8-58.2-50.3000110.3R135 P231 S232 V233 I456R135-N229 PolarHBondContact NH2-OD1 3.14Å; N229-P231 VanDerWaalsContact C-CD 3.5Å; N229-S232 WeakPolarHBondContact O-CA 3.29Å; N229-S232 WeakPolarHBondContact O-CB 3.34Å; N229-S232 PolarHBondContact O-N 2.93Å; N229-V233 PolarHBondContact O-N 2.93Å; N229-I456 HydrophobicContact CB-CD1 3.87Å; N229-I456 HydrophobicContact CB-CG1 4.19Å
230L97.8Very high96.7Very high7 Ų723.5 Ų23.54%0.03714%0.135CC..Hα-helixtrans-49.2-49.2-176.4-173.668.8000113.5C59 I102 V105 S232 V233 V234 I411 A451 T455C59-L230 HydrophobicContact CB-CB 4.42Å; I102-L230 HydrophobicContact CD1-CD1 3.56Å; I102-L230 HydrophobicContact CD1-CG 4.25Å; V105-L230 HydrophobicContact CG1-CD1 3.99Å; V105-L230 HydrophobicContact CG2-CD1 4.2Å; L230-S232 PolarHBondContact O-N 3.26Å; L230-S232 VanDerWaalsContact O-N 3.17Å; L230-V233 PolarHBondContact O-N 3.25Å; L230-V234 WeakPolarHBondContact O-CG2 3.16Å; L230-V234 PolarHBondContact O-N 3.31Å; L230-I411 HydrophobicContact CD2-CG2 4.39Å; L230-A451 WeakPolarHBondContact CD2-O 3.31Å; L230-T455 HydrophobicContact CD2-CG2 4.48Å
231P98.3Very high97.1Very high1 Ų123.6 Ų23.61%0.00614%0.136CC..Hα-helixtrans-59.9-33179.4-24.536.2000113.1N229 V233 V234 V235 F432 T455 I456 F458N229-P231 VanDerWaalsContact C-CD 3.5Å; P231-V233 VanDerWaalsContact C-N 3.33Å; P231-V234 PolarHBondContact O-N 3.12Å; P231-V235 WeakPolarHBondContact O-CG2 3.25Å; P231-V235 PolarHBondContact O-N 2.77Å; P231-F432 HydrophobicContact CB-CD1 4.17Å; P231-F432 HydrophobicContact CB-CD2 3.71Å; P231-F432 HydrophobicContact CB-CE1 4.13Å; P231-F432 HydrophobicContact CB-CE2 3.68Å; P231-F432 HydrophobicContact CB-CG 3.94Å; P231-F432 HydrophobicContact CB-CZ 3.88Å; P231-F432 HydrophobicContact CG-CB 4.24Å; P231-F432 HydrophobicContact CG-CD1 3.57Å; P231-F432 HydrophobicContact CG-CD2 3.96Å; P231-F432 HydrophobicContact CG-CE1 3.78Å; P231-F432 HydrophobicContact CG-CE2 4.17Å; P231-F432 HydrophobicContact CG-CG 3.63Å; P231-F432 HydrophobicContact CG-CZ 4.07Å; P231-T455 HydrophobicContact CG-CG2 4.35Å; P231-I456 HydrophobicContact CG-CG1 4.05Å; P231-F458 HydrophobicContact CB-CB 3.53Å; P231-F458 HydrophobicContact CB-CD1 3.51Å; P231-F458 HydrophobicContact CB-CD2 3.98Å; P231-F458 HydrophobicContact CB-CE1 4.21Å; P231-F458 HydrophobicContact CB-CG 3.39Å; P231-F458 HydrophobicContact CG-CB 3.98Å; P231-F458 HydrophobicContact CG-CG 4.3Å
232S98.3Very high97.4Very high13 Ų1326.8 Ų26.89%0.09115%0.15CC..Hα-helixtrans-73.2-23.9177.4-67.60000113.4Q228 N229 L230 F458Q228-S232 PolarHBondContact NE2-O 3.48Å; N229-S232 WeakPolarHBondContact O-CA 3.29Å; N229-S232 WeakPolarHBondContact O-CB 3.34Å; N229-S232 PolarHBondContact O-N 2.93Å; L230-S232 PolarHBondContact O-N 3.26Å; L230-S232 VanDerWaalsContact O-N 3.17Å; S232-F458 WeakPolarHBondContact OG-CE2 3.49Å
233V98.6Very high97.7Very high0 Ų027 Ų270%015%0.152CC..Hα-helixtrans-78.3-40.9170.4-174.10000109.8R61 I102 V105 Q228 N229 L230 P231 V235 G236 H237 H260R61-V233 HydrophobicContact CB-CG2 4.14Å; R61-V233 HydrophobicContact CG-CG1 4.39Å; I102-V233 HydrophobicContact CG2-CG1 4.2Å; V105-V233 HydrophobicContact CG2-CB 4.11Å; V105-V233 HydrophobicContact CG2-CG1 3.61Å; V105-V233 HydrophobicContact CG2-CG2 4.25Å; Q228-V233 HydrophobicContact CB-CG2 3.86Å; Q228-V233 HydrophobicContact CG-CG2 3.69Å; N229-V233 PolarHBondContact O-N 2.93Å; L230-V233 PolarHBondContact O-N 3.25Å; P231-V233 VanDerWaalsContact C-N 3.33Å; V233-V235 PolarHBondContact O-N 3.13Å; V233-G236 PolarHBondContact O-N 2.92Å; V233-H237 PolarHBondContact O-N 2.72Å; V233-H260 WeakPolarHBondContact CG1-CE1 3.44Å; V233-H260 PolarHBondContact O-CE1 3.18Å; V233-H260 PolarHBondContact O-ND1 2.78Å
234V98.7Very high97.9Very high0 Ų027.6 Ų27.60%017%0.166CC..Hα-helixtrans-53.9-38.6175.5173.70000111.6I102 L230 P231 G236 H237 V238 I411 F432 I460I102-V234 HydrophobicContact CD1-CG2 3.58Å; L230-V234 WeakPolarHBondContact O-CG2 3.16Å; L230-V234 PolarHBondContact O-N 3.31Å; P231-V234 PolarHBondContact O-N 3.12Å; V234-G236 VanDerWaalsContact C-N 3.3Å; V234-G236 PolarHBondContact O-N 2.92Å; V234-H237 PolarHBondContact O-N 2.91Å; V234-H237 VanDerWaalsContact O-N 3.14Å; V234-V238 HydrophobicContact CG1-CG2 3.74Å; V234-V238 VanDerWaalsContact O-CG2 3.32Å; V234-V238 WeakPolarHBondContact O-CG2 3.37Å; V234-V238 PolarHBondContact O-N 3.33Å; V234-I411 HydrophobicContact CG2-CB 4.4Å; V234-I411 HydrophobicContact CG2-CG1 3.84Å; V234-F432 HydrophobicContact CG2-CZ 4.33Å; V234-I460 HydrophobicContact CB-CD1 4.15Å; V234-I460 HydrophobicContact CG1-CD1 3.71Å
235V98.8Very high98.1Very high0 Ų026.7 Ų26.70%016%0.161CC..Hα-helixtrans-53.3-43.3175.8171.70000113.1P231 V233 V238 L239 K257 L329 V377 F458 I460P231-V235 WeakPolarHBondContact O-CG2 3.25Å; P231-V235 PolarHBondContact O-N 2.77Å; V233-V235 PolarHBondContact O-N 3.13Å; V235-V238 PolarHBondContact O-N 2.79Å; V235-L239 WeakPolarHBondContact O-CB 3.47Å; V235-L239 PolarHBondContact O-N 3.39Å; V235-K257 HydrophobicContact CB-CD 4.15Å; V235-K257 HydrophobicContact CG1-CD 3.79Å; V235-L329 HydrophobicContact CG1-CD1 3.43Å; V235-L329 VanDerWaalsContact CG1-CD1 3.43Å; V235-L329 HydrophobicContact CG1-CD2 4.26Å; V235-V377 HydrophobicContact CG1-CG1 4.09Å; V235-F458 HydrophobicContact CG2-CE1 3.53Å; V235-F458 HydrophobicContact CG2-CZ 3.97Å; V235-I460 HydrophobicContact CG2-CD1 3.69Å; V235-I460 HydrophobicContact CG2-CG1 3.89Å; V235-I460 HydrophobicContact CG2-CG2 4.43Å
236G98.3Very high98.2Very high1 Ų128.5 Ų28.51%0.0117%0.166CC..Hα-helixtrans-64.1-42.4179.100000112.1V233 V234 L239 A240 P241 L264V233-G236 PolarHBondContact O-N 2.92Å; V234-G236 VanDerWaalsContact C-N 3.3Å; V234-G236 PolarHBondContact O-N 2.92Å; G236-L239 PolarHBondContact O-N 2.89Å; G236-A240 PolarHBondContact O-N 2.92Å; G236-P241 WeakPolarHBondContact O-CD 3.17Å; G236-L264 WeakPolarHBondContact O-CD1 3.45Å
237H98.7Very high98.3Very high31 Ų3126.7 Ų26.714%0.14416%0.158CC..Hα-helixtrans-67.3-42.4175.9-72.3-78.2000112.6I102 D104 V233 V234 L239 A240 H260 P409I102-H237 WeakPolarHBondContact CG2-NE2 3.45Å; D104-H237 VanDerWaalsContact CG-NE2 3.31Å; D104-H237 IonicContact OD1-CD2 2.71Å; D104-H237 IonicContact OD1-CE1 2.79Å; D104-H237 IonicContact OD1-NE2 3.79Å; D104-H237 PolarHBondContact OD1-NE2 2.99Å; D104-H237 IonicContact OD2-CE1 2.74Å; D104-H237 IonicContact OD2-NE2 2.86Å; D104-H237 PolarHBondContact OD2-NE2 3.15Å; V233-H237 PolarHBondContact O-N 2.72Å; V234-H237 PolarHBondContact O-N 2.91Å; V234-H237 VanDerWaalsContact O-N 3.14Å; H237-L239 VanDerWaalsContact C-N 3.3Å; H237-L239 PolarHBondContact O-N 3.1Å; H237-A240 WeakPolarHBondContact O-CA 3.43Å; H237-A240 WeakPolarHBondContact O-CB 3.42Å; H237-A240 PolarHBondContact O-N 3Å; H237-H260 AromaticContact CD2-CE1 3.63Å; H237-H260 AromaticContact NE2-CE1 3.71Å; H237-H260 AromaticContact NE2-NE2 3.66Å; H237-P409 HydrophobicContact CB-CG 4.48Å
238V98.8Very high98.4Very high0 Ų023 Ų230%014%0.139CC..Hα-helixtrans-63.2-36.8178.1169.60000111.9V234 V235 A240 V377 Q407 I460 K462V234-V238 HydrophobicContact CG1-CG2 3.74Å; V234-V238 VanDerWaalsContact O-CG2 3.32Å; V234-V238 WeakPolarHBondContact O-CG2 3.37Å; V234-V238 PolarHBondContact O-N 3.33Å; V235-V238 PolarHBondContact O-N 2.79Å; V238-A240 PolarHBondContact O-N 3.2Å; V238-V377 HydrophobicContact CG1-CG2 4.12Å; V238-Q407 HydrophobicContact CG1-CB 3.99Å; V238-Q407 HydrophobicContact CG1-CG 3.88Å; V238-Q407 HydrophobicContact CG2-CB 4.07Å; V238-I460 HydrophobicContact CG1-CG2 4.05Å; V238-K462 HydrophobicContact CG1-CB 4.11Å; V238-K462 HydrophobicContact CG1-CD 3.98Å; V238-K462 HydrophobicContact CG1-CG 4.41Å; V238-K462 WeakPolarHBondContact O-CE 3.48Å; V238-K462 PolarHBondContact O-NZ 3.28Å
239L98.8Very high98.5Very high1 Ų122.4 Ų22.41%0.00514%0.136CC..Hα-helixtrans-62.9-32.8172.5-173.368000111.5V235 G236 H237 I247 I261 R327 L329 V375 V377V235-L239 WeakPolarHBondContact O-CB 3.47Å; V235-L239 PolarHBondContact O-N 3.39Å; G236-L239 PolarHBondContact O-N 2.89Å; H237-L239 VanDerWaalsContact C-N 3.3Å; H237-L239 PolarHBondContact O-N 3.1Å; L239-I247 HydrophobicContact CD2-CG2 3.95Å; L239-I261 HydrophobicContact CD2-CD1 3.44Å; L239-I261 VanDerWaalsContact CD2-CD1 3.44Å; L239-I261 HydrophobicContact CD2-CG1 3.79Å; L239-R327 HydrophobicContact CD1-CB 3.8Å; L239-R327 HydrophobicContact CG-CB 4.34Å; L239-R327 WeakPolarHBondContact O-CD 3.41Å; L239-R327 PolarHBondContact O-NE 2.95Å; L239-R327 VanDerWaalsContact O-NE 3.08Å; L239-L329 HydrophobicContact CD2-CB 4.17Å; L239-V375 HydrophobicContact CD1-CG1 4.41Å; L239-V377 HydrophobicContact CB-CG2 4Å; L239-V377 HydrophobicContact CD1-CB 4Å; L239-V377 HydrophobicContact CD1-CG2 3.65Å; L239-V377 HydrophobicContact CG-CG2 4.46Å
240A98.4Very high98.5Very high38 Ų3820 Ų2031%0.31412%0.124SC..  trans48.455.7177.900000113.2G236 H237 V238 Q242 R327G236-A240 PolarHBondContact O-N 2.92Å; H237-A240 WeakPolarHBondContact O-CA 3.43Å; H237-A240 WeakPolarHBondContact O-CB 3.42Å; H237-A240 PolarHBondContact O-N 3Å; V238-A240 PolarHBondContact O-N 3.2Å; A240-Q242 PolarHBondContact O-NE2 3.33Å; A240-R327 PolarHBondContact O-NE 3.35Å; A240-R327 PolarHBondContact O-NH2 3.4Å; A240-R327 VanDerWaalsContact O-NH2 3.1Å
241P98.4Very high98.5Very high7 Ų720.8 Ų20.85%0.04513%0.129CC..  trans-65.8141.9179.333.2-37.6000110.4G236 I247 I261 L264 M265G236-P241 WeakPolarHBondContact O-CD 3.17Å; P241-I247 HydrophobicContact CB-CD1 4Å; P241-I247 HydrophobicContact CB-CG1 4.12Å; P241-I261 HydrophobicContact CB-CG2 4.04Å; P241-I261 HydrophobicContact CG-CG2 4.04Å; P241-L264 HydrophobicContact CG-CB 3.93Å; P241-L264 HydrophobicContact CG-CD1 4.22Å; P241-M265 HydrophobicContact CB-CG 3.67Å; P241-M265 HydrophobicContact CB-SD 3.84Å; P241-M265 HydrophobicContact CG-CG 4.03Å
242Q98.5Very high98.5Very high98 Ų9821 Ų2146%0.45813%0.131SC..  trans-105.7148.1179.2-53.6-62.2-5700111.2A240 G244 E245A240-Q242 PolarHBondContact O-NE2 3.33Å; Q242-G244 PolarHBondContact O-N 3.42Å; Q242-E245 VanDerWaalsContact CB-CD 3.45Å; Q242-E245 HydrophobicContact CB-CG 3.94Å; Q242-E245 PolarHBondContact N-OE2 3.06Å; Q242-E245 WeakPolarHBondContact O-CB 3.4Å; Q242-E245 PolarHBondContact O-N 3.29Å; Q242-E245 VanDerWaalsContact O-N 3.16Å
243P98.6Very high98.2Very high80 Ų8021.3 Ų21.352%0.51913%0.134SC..THydrogen-bonded Turntrans-52.2130.3171-2735.5000112.1K268P243-K268 CarbonylContact C-O 3.57Å; P243-K268 WeakPolarHBondContact CA-O 3.27Å; P243-K268 HydrophobicContact CB-CB 4.13Å
244G98.3Very high98.1Very high60 Ų6024.9 Ų24.962%0.61916%0.158SC*.THydrogen-bonded Turntrans91.8-10.1179.500000115Q242 K268Q242-G244 PolarHBondContact O-N 3.42Å; G244-K268 PolarHBondContact N-O 3Å
245E98.6Very high98Very high35 Ų3524.9 Ų24.916%0.16416%0.158CC..  trans-73.9160.3177-69.2-179.7159.100112.6Q242 I247 M265 E270 D326 R327Q242-E245 VanDerWaalsContact CB-CD 3.45Å; Q242-E245 HydrophobicContact CB-CG 3.94Å; Q242-E245 PolarHBondContact N-OE2 3.06Å; Q242-E245 WeakPolarHBondContact O-CB 3.4Å; Q242-E245 PolarHBondContact O-N 3.29Å; Q242-E245 VanDerWaalsContact O-N 3.16Å; E245-I247 HydrophobicContact CB-CD1 3.77Å; E245-I247 HydrophobicContact CB-CG1 4.44Å; E245-M265 HydrophobicContact CB-CE 4.5Å; E245-M265 WeakPolarHBondContact O-CE 3.48Å; E245-E270 PolarHBondContact O-N 3.42Å; E245-D326 HydrophobicContact CB-CB 4.04Å; E245-D326 HydrophobicContact CG-CB 4.13Å; E245-R327 VanDerWaalsContact CD-CZ 3.4Å; E245-R327 IonicContact OE1-CZ 2.86Å; E245-R327 IonicContact OE1-NH1 3.88Å; E245-R327 PolarHBondContact OE1-NH1 3.15Å; E245-R327 IonicContact OE1-NH2 2.73Å; E245-R327 PolarHBondContact OE1-NH2 3.23Å; E245-R327 IonicContact OE2-CZ 3.45Å; E245-R327 IonicContact OE2-NE 2.72Å; E245-R327 PolarHBondContact OE2-NE 3.39Å; E245-R327 IonicContact OE2-NH1 3.93Å; E245-R327 PolarHBondContact OE2-NH1 3.35Å; E245-R327 IonicContact OE2-NH2 3.88Å; E245-R327 PolarHBondContact OE2-NH2 3.13Å
246R98.5Very high97.9Very high48 Ų4825.3 Ų25.318%0.18116%0.162CC..EExtended strand (participates in β ladder)trans-105.5112.8171.8-171.1173.2-175.4-104.7-2.4110E270 S324 F325 D326R246-E270 CarbonylContact C-O 3.58Å; R246-E270 WeakPolarHBondContact CA-O 3.32Å; R246-E270 WeakPolarHBondContact CD-OE2 3.46Å; R246-E270 HydrophobicContact CG-CB 4.24Å; R246-E270 HydrophobicContact CG-CG 4.46Å; R246-E270 WeakPolarHBondContact CG-OE2 3.48Å; R246-E270 IonicContact CZ-OE2 2.67Å; R246-E270 IonicContact NE-OE2 2.89Å; R246-E270 PolarHBondContact NE-OE2 2.65Å; R246-S324 PolarHBondContact NH1-O 2.76Å; R246-S324 PolarHBondContact NH1-OG 3.46Å; R246-F325 HydrophobicContact CG-CD1 3.72Å; R246-F325 HydrophobicContact CG-CE1 3.86Å; R246-F325 VanDerWaalsContact CZ-CE1 3.46Å; R246-F325 VanDerWaalsContact CZ-CZ 3.42Å; R246-F325 VanDerWaalsContact NH1-CE2 3.32Å; R246-D326 PolarHBondContact N-OD2 3.39Å; R246-D326 PolarHBondContact O-N 3.01Å
247I98.8Very high97.9Very high0 Ų026.1 Ų26.10%017%0.165CC..EExtended strand (participates in β ladder)trans-113.3137.6-173-44.9-63.5000110.2L239 P241 E245 I261 M265 E270 V271 V272 R327L239-I247 HydrophobicContact CD2-CG2 3.95Å; P241-I247 HydrophobicContact CB-CD1 4Å; P241-I247 HydrophobicContact CB-CG1 4.12Å; E245-I247 HydrophobicContact CB-CD1 3.77Å; E245-I247 HydrophobicContact CB-CG1 4.44Å; I247-I261 HydrophobicContact CB-CG2 4.07Å; I247-I261 HydrophobicContact CG1-CG2 4.08Å; I247-I261 HydrophobicContact CG2-CD1 4.3Å; I247-I261 HydrophobicContact CG2-CG2 3.82Å; I247-M265 HydrophobicContact CG1-CE 4.07Å; I247-M265 HydrophobicContact CG1-SD 3.62Å; I247-E270 PolarHBondContact N-O 2.74Å; I247-V271 WeakPolarHBondContact O-CA 3.47Å; I247-V272 PolarHBondContact O-N 3.09Å; I247-R327 WeakPolarHBondContact CA-O 3.39Å; I247-R327 HydrophobicContact CD1-CB 3.71Å; I247-R327 HydrophobicContact CD1-CG 3.74Å; I247-R327 HydrophobicContact CG2-CB 4.33Å
248L98.8Very high97.9Very high0 Ų024.6 Ų24.60%016%0.158CC..EExtended strand (participates in β ladder)trans-109.8125.4173.7179.562.7000111M250 V272 L274 F320 F325 R327 V328 L329 L369L248-M250 HydrophobicContact CD2-CG 3.71Å; L248-M250 HydrophobicContact CD2-SD 4.41Å; L248-M250 HydrophobicContact CG-CG 3.82Å; L248-V272 WeakPolarHBondContact CA-O 3.31Å; L248-V272 HydrophobicContact CD1-CB 3.98Å; L248-V272 HydrophobicContact CD1-CG1 3.71Å; L248-L274 HydrophobicContact CD1-CD1 3.94Å; L248-L274 HydrophobicContact CD1-CG 3.92Å; L248-F320 HydrophobicContact CD1-CE2 4.43Å; L248-F325 HydrophobicContact CB-CB 4.41Å; L248-F325 HydrophobicContact CB-CD1 3.53Å; L248-F325 HydrophobicContact CB-CD2 4.15Å; L248-F325 HydrophobicContact CB-CE1 3.67Å; L248-F325 HydrophobicContact CB-CE2 4.26Å; L248-F325 HydrophobicContact CB-CG 3.77Å; L248-F325 HydrophobicContact CB-CZ 4.03Å; L248-F325 HydrophobicContact CD1-CE1 4.24Å; L248-F325 HydrophobicContact CD1-CE2 4.45Å; L248-F325 HydrophobicContact CD1-CZ 3.97Å; L248-F325 HydrophobicContact CD2-CD2 4.12Å; L248-F325 HydrophobicContact CD2-CE2 3.99Å; L248-F325 HydrophobicContact CD2-CZ 4.32Å; L248-F325 HydrophobicContact CG-CE1 4.43Å; L248-F325 HydrophobicContact CG-CE2 4.48Å; L248-F325 HydrophobicContact CG-CZ 4.34Å; L248-R327 PolarHBondContact N-O 3Å; L248-V328 HydrophobicContact CB-CG1 4.38Å; L248-V328 HydrophobicContact CB-CG2 4.17Å; L248-V328 HydrophobicContact CD2-CG1 4.24Å; L248-V328 HydrophobicContact CD2-CG2 4.36Å; L248-V328 HydrophobicContact CG-CG1 4.45Å; L248-V328 CarbonylContact O-C 3.53Å; L248-V328 WeakPolarHBondContact O-CA 3.28Å; L248-L329 PolarHBondContact O-N 3.24Å; L248-L369 HydrophobicContact CD2-CB 4.35Å; L248-L369 HydrophobicContact CD2-CD1 3.42Å; L248-L369 VanDerWaalsContact CD2-CD1 3.42Å; L248-L369 HydrophobicContact CD2-CG 4.5Å
249D98.8Very high97.9Very high1 Ų124.6 Ų24.61%0.00516%0.158CC..EExtended strand (participates in β ladder)trans-103.9107.9163.3-173.3-14000109.2C251 A252 T258 V272 L274D249-C251 PolarHBondContact O-N 3.3Å; D249-C251 PolarHBondContact OD1-N 2.93Å; D249-A252 HydrophobicContact CB-CB 4.05Å; D249-A252 WeakPolarHBondContact OD1-CA 3.45Å; D249-A252 PolarHBondContact OD1-N 3.37Å; D249-A252 WeakPolarHBondContact OD2-CA 3.46Å; D249-T258 PolarHBondContact OD2-N 3.35Å; D249-T258 PolarHBondContact OD2-OG1 3.15Å; D249-V272 PolarHBondContact N-O 3.33Å; D249-L274 PolarHBondContact O-N 3.14Å
250M98.3Very high97.9Very high0 Ų024.6 Ų24.60%016%0.158CC..THydrogen-bonded Turntrans-77-19.5-170.6-66.3-171.673.800114L248 L274 S303 V328 L329 L330 L362 A365 A366L248-M250 HydrophobicContact CD2-CG 3.71Å; L248-M250 HydrophobicContact CD2-SD 4.41Å; L248-M250 HydrophobicContact CG-CG 3.82Å; M250-L274 CarbonylContact C-O 3.58Å; M250-S303 WeakPolarHBondContact CE-O 3.45Å; M250-S303 VanDerWaalsContact O-CB 3.29Å; M250-S303 WeakPolarHBondContact O-CB 3.12Å; M250-S303 PolarHBondContact O-OG 3.21Å; M250-V328 HydrophobicContact CG-CG1 3.83Å; M250-V328 HydrophobicContact SD-CG1 3.7Å; M250-L329 PolarHBondContact N-O 2.84Å; M250-L330 HydrophobicContact CB-CD1 4.18Å; M250-L330 HydrophobicContact SD-CD1 4.38Å; M250-L362 WeakPolarHBondContact CE-O 3.28Å; M250-A365 HydrophobicContact CE-CB 3.79Å; M250-A366 HydrophobicContact CE-CB 4.41Å; M250-A366 VanDerWaalsContact SD-CA 3.6Å; M250-A366 HydrophobicContact SD-CB 3.41Å; M250-A366 WeakPolarHBondContact SD-CB 3.39Å
251C97.7Very high97.9Very high23 Ų2322.8 Ų22.816%0.15514%0.143CC..THydrogen-bonded Turntrans-142.759.4-173.8-72.90000108.8D249 A253 D331D249-C251 PolarHBondContact O-N 3.3Å; D249-C251 PolarHBondContact OD1-N 2.93Å; C251-A253 PolarHBondContact O-N 2.94Å; C251-D331 WeakPolarHBondContact CB-O 3.42Å
252A96.9Very high97.9Very high4 Ų422.4 Ų22.43%0.03314%0.141CC..  trans-75.4-24.1-154.600000115.1D249 G255 T258 A273 L274 I284D249-A252 HydrophobicContact CB-CB 4.05Å; D249-A252 WeakPolarHBondContact OD1-CA 3.45Å; D249-A252 PolarHBondContact OD1-N 3.37Å; D249-A252 WeakPolarHBondContact OD2-CA 3.46Å; A252-G255 WeakPolarHBondContact O-CA 3.42Å; A252-G255 PolarHBondContact O-N 3.16Å; A252-T258 WeakPolarHBondContact CB-OG1 3.34Å; A252-A273 HydrophobicContact CB-CB 3.68Å; A252-L274 PolarHBondContact N-O 3.47Å; A252-I284 HydrophobicContact CB-CD1 3.61Å
253A94Very high97.9Very high20 Ų2018.2 Ų18.217%0.16512%0.123CC..THydrogen-bonded Turntrans-72.2140.8-167.400000113.5C251 D275 K280 I284C251-A253 PolarHBondContact O-N 2.94Å; A253-D275 HydrophobicContact CB-CB 4.16Å; A253-D275 WeakPolarHBondContact CB-OD2 3.24Å; A253-K280 HydrophobicContact CB-CB 3.5Å; A253-K280 HydrophobicContact CB-CD 3.7Å; A253-K280 HydrophobicContact CB-CG 3.9Å; A253-I284 HydrophobicContact CB-CD1 4.05Å; A253-I284 HydrophobicContact CB-CG1 4.27Å
254P95.3Very high97.9Very high76 Ų7616.8 Ų16.849%0.49411%0.111SC..THydrogen-bonded Turncis-86.6109.134.7-37.2000115.3R283 N287P254-R283 HydrophobicContact CB-CG 3.79Å; P254-N287 PolarHBondContact O-ND2 3.22Å
255G96.1Very high97.9Very high0 Ų014 Ų140%08%0.081CC..  trans104.28.1174.100000114.6A252 T258 C259A252-G255 WeakPolarHBondContact O-CA 3.42Å; A252-G255 PolarHBondContact O-N 3.16Å; G255-T258 PolarHBondContact O-N 3.48Å; G255-C259 VanDerWaalsContact O-CB 3.28Å; G255-C259 WeakPolarHBondContact O-CB 3.28Å; G255-C259 PolarHBondContact O-N 2.94Å; G255-C259 PolarHBondContact O-SG 3.01Å
256G97.7Very high97.9Very high9 Ų914.3 Ų14.39%0.0939%0.094CC..Hα-helixtrans-60.3-48.6-178.100000112.8H260G256-H260 WeakPolarHBondContact O-CB 3.45Å; G256-H260 PolarHBondContact O-N 3.27Å; G256-H260 VanDerWaalsContact O-N 3.08Å
257K98.6Very high97.8Very high17 Ų1713.9 Ų13.97%0.07410%0.095CC..Hα-helixtrans-71.2-40.9176.2-61.4-171.1177.486.70111.8V235 C259 H260 I261 L329 D331V235-K257 HydrophobicContact CB-CD 4.15Å; V235-K257 HydrophobicContact CG1-CD 3.79Å; K257-C259 PolarHBondContact O-N 3.43Å; K257-H260 WeakPolarHBondContact O-CB 3.27Å; K257-H260 PolarHBondContact O-N 3.23Å; K257-H260 VanDerWaalsContact O-N 3.16Å; K257-I261 VanDerWaalsContact O-CG1 3.27Å; K257-I261 WeakPolarHBondContact O-CG1 3.45Å; K257-I261 PolarHBondContact O-N 2.83Å; K257-L329 HydrophobicContact CB-CD2 3.7Å; K257-L329 HydrophobicContact CD-CD2 3.83Å; K257-L329 HydrophobicContact CG-CD2 4.41Å; K257-D331 HydrophobicContact CD-CB 4.11Å; K257-D331 WeakPolarHBondContact CE-OD1 3.43Å; K257-D331 IonicContact NZ-OD1 3.43Å; K257-D331 PolarHBondContact NZ-OD1 3.31Å; K257-D331 IonicContact NZ-OD2 2.66Å; K257-D331 PolarHBondContact NZ-OD2 2.87Å
258T98.8Very high97.8Very high0 Ų020.7 Ų20.70%013%0.125CC..Hα-helixtrans-55-49.9173.9-41.50000112.5D249 A252 G255 H260 I261 A262 V271 A273 I296D249-T258 PolarHBondContact OD2-N 3.35Å; D249-T258 PolarHBondContact OD2-OG1 3.15Å; A252-T258 WeakPolarHBondContact CB-OG1 3.34Å; G255-T258 PolarHBondContact O-N 3.48Å; T258-H260 VanDerWaalsContact C-N 3.29Å; T258-H260 PolarHBondContact O-N 3.37Å; T258-I261 PolarHBondContact O-N 2.97Å; T258-A262 PolarHBondContact O-N 3.13Å; T258-A262 VanDerWaalsContact O-N 3.12Å; T258-V271 HydrophobicContact CG2-CG1 3.67Å; T258-A273 HydrophobicContact CG2-CB 3.57Å; T258-I296 HydrophobicContact CG2-CD1 4.29Å; T258-I296 HydrophobicContact CG2-CG1 4.39Å; T258-I296 HydrophobicContact CG2-CG2 3.84Å
259C98.6Very high97.7Very high0 Ų022.5 Ų22.50%014%0.143CC..Hα-helixtrans-66.9-34.7178.8-65.30000111.5G255 K257 A263 L291 L293 I296G255-C259 VanDerWaalsContact O-CB 3.28Å; G255-C259 WeakPolarHBondContact O-CB 3.28Å; G255-C259 PolarHBondContact O-N 2.94Å; G255-C259 PolarHBondContact O-SG 3.01Å; K257-C259 PolarHBondContact O-N 3.43Å; C259-A263 WeakPolarHBondContact O-CB 3.41Å; C259-A263 PolarHBondContact O-N 2.96Å; C259-L291 HydrophobicContact CB-CD1 3.66Å; C259-L293 HydrophobicContact CB-CD1 3.61Å; C259-L293 WeakPolarHBondContact O-CD1 3.32Å; C259-I296 HydrophobicContact CB-CD1 4.48Å
260H98.7Very high97.7Very high0 Ų024.1 Ų24.10%015%0.151CC..Hα-helixtrans-64.7-46174.8-173.1-163.2000111.9R61 D104 V233 H237 G256 K257 T258 A262 A263 L264R61-H260 VanDerWaalsContact CD-CD2 3.49Å; R61-H260 WeakPolarHBondContact CD-CD2 3.27Å; R61-H260 VanDerWaalsContact CD-CG 3.43Å; D104-H260 IonicContact OD1-NE2 3.54Å; D104-H260 IonicContact OD2-CD2 3.79Å; D104-H260 PolarHBondContact OD2-CD2 2.89Å; D104-H260 IonicContact OD2-CE1 3.76Å; D104-H260 IonicContact OD2-NE2 2.92Å; D104-H260 PolarHBondContact OD2-NE2 2.57Å; V233-H260 WeakPolarHBondContact CG1-CE1 3.44Å; V233-H260 PolarHBondContact O-CE1 3.18Å; V233-H260 PolarHBondContact O-ND1 2.78Å; H237-H260 AromaticContact CD2-CE1 3.63Å; H237-H260 AromaticContact NE2-CE1 3.71Å; H237-H260 AromaticContact NE2-NE2 3.66Å; G256-H260 WeakPolarHBondContact O-CB 3.45Å; G256-H260 PolarHBondContact O-N 3.27Å; G256-H260 VanDerWaalsContact O-N 3.08Å; K257-H260 WeakPolarHBondContact O-CB 3.27Å; K257-H260 PolarHBondContact O-N 3.23Å; K257-H260 VanDerWaalsContact O-N 3.16Å; T258-H260 VanDerWaalsContact C-N 3.29Å; T258-H260 PolarHBondContact O-N 3.37Å; H260-A262 VanDerWaalsContact C-N 3.35Å; H260-A262 PolarHBondContact O-N 2.7Å; H260-A263 PolarHBondContact O-N 3.15Å; H260-L264 WeakPolarHBondContact O-CG 3.48Å; H260-L264 PolarHBondContact O-N 3.05Å
261I98.8Very high97.8Very high0 Ų024.1 Ų24.10%015%0.151CC..Hα-helixtrans-56.1-50.2176.1-70.3167.6000110.5L239 P241 I247 K257 T258 A263 L264 M265 V271 L329L239-I261 HydrophobicContact CD2-CD1 3.44Å; L239-I261 VanDerWaalsContact CD2-CD1 3.44Å; L239-I261 HydrophobicContact CD2-CG1 3.79Å; P241-I261 HydrophobicContact CB-CG2 4.04Å; P241-I261 HydrophobicContact CG-CG2 4.04Å; I247-I261 HydrophobicContact CB-CG2 4.07Å; I247-I261 HydrophobicContact CG1-CG2 4.08Å; I247-I261 HydrophobicContact CG2-CD1 4.3Å; I247-I261 HydrophobicContact CG2-CG2 3.82Å; K257-I261 VanDerWaalsContact O-CG1 3.27Å; K257-I261 WeakPolarHBondContact O-CG1 3.45Å; K257-I261 PolarHBondContact O-N 2.83Å; T258-I261 PolarHBondContact O-N 2.97Å; I261-A263 VanDerWaalsContact C-N 3.33Å; I261-A263 PolarHBondContact O-N 2.63Å; I261-L264 PolarHBondContact O-N 3.25Å; I261-M265 HydrophobicContact CG2-SD 3.84Å; I261-M265 WeakPolarHBondContact O-CG 3.39Å; I261-M265 PolarHBondContact O-N 2.92Å; I261-M265 VanDerWaalsContact O-N 3.09Å; I261-V271 HydrophobicContact CG2-CG1 4.18Å; I261-V271 HydrophobicContact CG2-CG2 3.82Å; I261-L329 HydrophobicContact CD1-CB 4.29Å; I261-L329 HydrophobicContact CD1-CD2 3.78Å
262A98.6Very high97.8Very high0 Ų023 Ų230%014%0.143CC..Hα-helixtrans-60.6-42178.100000112.1T258 H260 M265 G266 D267 V271 L293 S295 I296T258-A262 PolarHBondContact O-N 3.13Å; T258-A262 VanDerWaalsContact O-N 3.12Å; H260-A262 VanDerWaalsContact C-N 3.35Å; H260-A262 PolarHBondContact O-N 2.7Å; A262-M265 PolarHBondContact O-N 3.3Å; A262-G266 PolarHBondContact O-N 3.14Å; A262-D267 WeakPolarHBondContact O-CA 3.49Å; A262-D267 PolarHBondContact O-N 2.56Å; A262-V271 HydrophobicContact CB-CG2 3.97Å; A262-L293 HydrophobicContact CB-CB 4.48Å; A262-L293 HydrophobicContact CB-CD1 4.19Å; A262-L293 HydrophobicContact CB-CD2 3.98Å; A262-L293 HydrophobicContact CB-CG 4.45Å; A262-S295 WeakPolarHBondContact CB-OG 2.92Å; A262-I296 HydrophobicContact CB-CD1 3.81Å; A262-I296 HydrophobicContact CB-CG1 3.7Å
263A98.3Very high97.9Very high9 Ų922.9 Ų22.97%0.07414%0.142CC..Hα-helixtrans-62.9-42.517600000112.6H65 C259 H260 I261 M265 G266 L293H65-A263 HydrophobicContact CB-CB 4.42Å; C259-A263 WeakPolarHBondContact O-CB 3.41Å; C259-A263 PolarHBondContact O-N 2.96Å; H260-A263 PolarHBondContact O-N 3.15Å; I261-A263 VanDerWaalsContact C-N 3.33Å; I261-A263 PolarHBondContact O-N 2.63Å; A263-M265 VanDerWaalsContact C-N 3.25Å; A263-M265 PolarHBondContact O-N 3.31Å; A263-G266 WeakPolarHBondContact O-CA 3.5Å; A263-G266 PolarHBondContact O-N 2.97Å; A263-L293 HydrophobicContact CB-CD2 4.4Å
264L98.4Very high98.1Very high51 Ų5121.9 Ų21.927%0.26713%0.134SC..Hα-helixtrans-63.4-31.3176.8-71.7174.3000112.6G236 P241 H260 I261 G266G236-L264 WeakPolarHBondContact O-CD1 3.45Å; P241-L264 HydrophobicContact CG-CB 3.93Å; P241-L264 HydrophobicContact CG-CD1 4.22Å; H260-L264 WeakPolarHBondContact O-CG 3.48Å; H260-L264 PolarHBondContact O-N 3.05Å; I261-L264 PolarHBondContact O-N 3.25Å; L264-G266 PolarHBondContact O-N 2.9Å
265M98.3Very high98.2Very high1 Ų119.1 Ų19.11%0.00512%0.115CC..THydrogen-bonded Turntrans-781.1174-65.1166.363.800113P241 E245 I247 I261 A262 A263 D267 K268 V271P241-M265 HydrophobicContact CB-CG 3.67Å; P241-M265 HydrophobicContact CB-SD 3.84Å; P241-M265 HydrophobicContact CG-CG 4.03Å; E245-M265 HydrophobicContact CB-CE 4.5Å; E245-M265 WeakPolarHBondContact O-CE 3.48Å; I247-M265 HydrophobicContact CG1-CE 4.07Å; I247-M265 HydrophobicContact CG1-SD 3.62Å; I261-M265 HydrophobicContact CG2-SD 3.84Å; I261-M265 WeakPolarHBondContact O-CG 3.39Å; I261-M265 PolarHBondContact O-N 2.92Å; I261-M265 VanDerWaalsContact O-N 3.09Å; A262-M265 PolarHBondContact O-N 3.3Å; A263-M265 VanDerWaalsContact C-N 3.25Å; A263-M265 PolarHBondContact O-N 3.31Å; M265-D267 PolarHBondContact O-N 2.7Å; M265-K268 VanDerWaalsContact CE-O 3.3Å; M265-K268 WeakPolarHBondContact CE-O 3.48Å; M265-K268 PolarHBondContact O-N 3.1Å; M265-K268 VanDerWaalsContact O-N 3.13Å; M265-V271 HydrophobicContact CE-CG2 4.41Å; M265-V271 HydrophobicContact SD-CG2 3.8Å
266G97.4Very high98.2Very high41 Ų4127.9 Ų27.942%0.42315%0.148SC..THydrogen-bonded Turntrans59.831-171.700000112.4A262 A263 L264 K268A262-G266 PolarHBondContact O-N 3.14Å; A263-G266 WeakPolarHBondContact O-CA 3.5Å; A263-G266 PolarHBondContact O-N 2.97Å; L264-G266 PolarHBondContact O-N 2.9Å; G266-K268 PolarHBondContact O-N 3.33Å
267D97.9Very high98.2Very high39 Ų3931.6 Ų31.621%0.20917%0.165CC..THydrogen-bonded Turntrans56.324.7-173.8-156.338.8000114.4A262 M265 L293 Q294 S295A262-D267 WeakPolarHBondContact O-CA 3.49Å; A262-D267 PolarHBondContact O-N 2.56Å; M265-D267 PolarHBondContact O-N 2.7Å; D267-L293 HydrophobicContact CB-CD2 4.2Å; D267-Q294 VanDerWaalsContact CG-N 3.34Å; D267-Q294 PolarHBondContact OD1-N 2.91Å; D267-Q294 VanDerWaalsContact OD1-N 3.12Å; D267-Q294 WeakPolarHBondContact OD2-CB 3.32Å; D267-Q294 PolarHBondContact OD2-N 3.42Å; D267-S295 WeakPolarHBondContact OD1-CB 3.43Å; D267-S295 PolarHBondContact OD1-N 3Å; D267-S295 PolarHBondContact OD1-OG 3.28Å
268K98.1Very high98Very high144 Ų14439 Ų3963%0.62619%0.192SC*.  trans-107.3117.9176.8-65175.4-174177.60110.4P243 G244 M265 G266P243-K268 CarbonylContact C-O 3.57Å; P243-K268 WeakPolarHBondContact CA-O 3.27Å; P243-K268 HydrophobicContact CB-CB 4.13Å; G244-K268 PolarHBondContact N-O 3Å; M265-K268 VanDerWaalsContact CE-O 3.3Å; M265-K268 WeakPolarHBondContact CE-O 3.48Å; M265-K268 PolarHBondContact O-N 3.1Å; M265-K268 VanDerWaalsContact O-N 3.13Å; G266-K268 PolarHBondContact O-N 3.33Å
269G97.6Very high97.9Very high37 Ų3744.9 Ų44.938%0.38122%0.224SC..SBendtrans124.4-152.5-177.800000110.7S295G269-S295 WeakPolarHBondContact O-CB 3.42Å
270E98.4Very high97.8Very high36 Ų3649.5 Ų49.517%0.16824%0.244CC..EExtended strand (participates in β ladder)trans-135.6127.6179.5-177.3178.2-144.400110.9E245 R246 I247 V272 K297E245-E270 PolarHBondContact O-N 3.42Å; R246-E270 CarbonylContact C-O 3.58Å; R246-E270 WeakPolarHBondContact CA-O 3.32Å; R246-E270 WeakPolarHBondContact CD-OE2 3.46Å; R246-E270 HydrophobicContact CG-CB 4.24Å; R246-E270 HydrophobicContact CG-CG 4.46Å; R246-E270 WeakPolarHBondContact CG-OE2 3.48Å; R246-E270 IonicContact CZ-OE2 2.67Å; R246-E270 IonicContact NE-OE2 2.89Å; R246-E270 PolarHBondContact NE-OE2 2.65Å; I247-E270 PolarHBondContact N-O 2.74Å; E270-V272 HydrophobicContact CG-CG2 4.08Å; E270-K297 VanDerWaalsContact OE1-CD 3.23Å; E270-K297 WeakPolarHBondContact OE1-CD 3.38Å; E270-K297 WeakPolarHBondContact OE1-CE 3.23Å; E270-K297 IonicContact OE1-NZ 2.73Å; E270-K297 PolarHBondContact OE1-NZ 3.43Å
271V98.8Very high97.7Very high0 Ų049.6 Ų49.60%024%0.244CC..EExtended strand (participates in β ladder)trans-115.6104.7173.6-175.70000109.2I247 T258 I261 A262 M265 S295 I296 K297I247-V271 WeakPolarHBondContact O-CA 3.47Å; T258-V271 HydrophobicContact CG2-CG1 3.67Å; I261-V271 HydrophobicContact CG2-CG1 4.18Å; I261-V271 HydrophobicContact CG2-CG2 3.82Å; A262-V271 HydrophobicContact CB-CG2 3.97Å; M265-V271 HydrophobicContact CE-CG2 4.41Å; M265-V271 HydrophobicContact SD-CG2 3.8Å; V271-S295 PolarHBondContact N-O 3.31Å; V271-I296 HydrophobicContact CB-CG1 4.21Å; V271-I296 CarbonylContact O-C 3.53Å; V271-I296 WeakPolarHBondContact O-CA 3.3Å; V271-K297 PolarHBondContact O-N 2.91Å
272V98.7Very high97.7Very high0 Ų052.7 Ų52.70%026%0.261CS..EExtended strand (participates in β ladder)trans-86.4124.6176177.70000109.3I247 L248 D249 E270 L274 K297 F299 F320 F325I247-V272 PolarHBondContact O-N 3.09Å; L248-V272 WeakPolarHBondContact CA-O 3.31Å; L248-V272 HydrophobicContact CD1-CB 3.98Å; L248-V272 HydrophobicContact CD1-CG1 3.71Å; D249-V272 PolarHBondContact N-O 3.33Å; E270-V272 HydrophobicContact CG-CG2 4.08Å; V272-L274 HydrophobicContact CG1-CD2 4.06Å; V272-L274 HydrophobicContact CG1-CG 4.45Å; V272-K297 WeakPolarHBondContact CA-O 3.49Å; V272-F299 HydrophobicContact CG1-CD2 4.05Å; V272-F299 HydrophobicContact CG1-CE2 4.2Å; V272-F320 HydrophobicContact CG1-CE2 3.79Å; V272-F320 HydrophobicContact CG1-CZ 3.51Å; V272-F325 HydrophobicContact CB-CE1 3.83Å; V272-F325 HydrophobicContact CB-CZ 4.13Å; V272-F325 HydrophobicContact CG1-CZ 4.34Å; V272-F325 HydrophobicContact CG2-CE1 3.7Å; V272-F325 HydrophobicContact CG2-CZ 4.05Å
273A98.7Very high97.6Very high0 Ų058.7 Ų58.70%028%0.284CS..EExtended strand (participates in β ladder)trans-117.2120.6-177.700000110.9A252 T258 I284 I296 K297 A298 F299A252-A273 HydrophobicContact CB-CB 3.68Å; T258-A273 HydrophobicContact CG2-CB 3.57Å; A273-I284 HydrophobicContact CB-CG2 4.21Å; A273-I296 HydrophobicContact CB-CG2 4.34Å; A273-K297 PolarHBondContact N-O 3.47Å; A273-A298 HydrophobicContact CB-CB 4.21Å; A273-A298 CarbonylContact O-C 3.58Å; A273-A298 WeakPolarHBondContact O-CA 3.38Å; A273-F299 PolarHBondContact O-N 3.17Å
274L98.6Very high97.6Very high0 Ų058.3 Ų58.30%028%0.28CS..EExtended strand (participates in β ladder)trans-111.5138.4179.8-55.6-174.5000111.7L248 D249 M250 A252 V272 F299 F301 S303 A306 P318 F320L248-L274 HydrophobicContact CD1-CD1 3.94Å; L248-L274 HydrophobicContact CD1-CG 3.92Å; D249-L274 PolarHBondContact O-N 3.14Å; M250-L274 CarbonylContact C-O 3.58Å; A252-L274 PolarHBondContact N-O 3.47Å; V272-L274 HydrophobicContact CG1-CD2 4.06Å; V272-L274 HydrophobicContact CG1-CG 4.45Å; L274-F299 HydrophobicContact CD2-CB 3.83Å; L274-F299 HydrophobicContact CD2-CD2 4.27Å; L274-F301 HydrophobicContact CD2-CB 4.19Å; L274-S303 WeakPolarHBondContact CB-OG 3.41Å; L274-A306 HydrophobicContact CD1-CB 3.94Å; L274-P318 HydrophobicContact CD2-CB 4.36Å; L274-P318 HydrophobicContact CD2-CG 4.02Å; L274-F320 HydrophobicContact CD1-CE2 4.29Å; L274-F320 HydrophobicContact CD2-CE2 4.29Å
275D98Very high97.6Very high17 Ų1761.8 Ų61.89%0.09129%0.29CS..EExtended strand (participates in β ladder)trans-151.8150.8164.8-164.6-74000109.7A253 I277 K280 I281 F299 R300 F301A253-D275 HydrophobicContact CB-CB 4.16Å; A253-D275 WeakPolarHBondContact CB-OD2 3.24Å; D275-I277 PolarHBondContact OD1-N 3.13Å; D275-K280 HydrophobicContact CB-CB 4.48Å; D275-K280 WeakPolarHBondContact OD1-CD 3.24Å; D275-I281 HydrophobicContact CB-CD1 3.59Å; D275-I281 HydrophobicContact CB-CG1 4.27Å; D275-F299 PolarHBondContact N-O 3.44Å; D275-R300 CarbonylContact O-C 3.53Å; D275-R300 VanDerWaalsContact O-CA 3.26Å; D275-R300 WeakPolarHBondContact O-CA 3.42Å; D275-F301 CarbonylContact C-O 3.57Å; D275-F301 PolarHBondContact O-N 3.49Å
276R95.9Very high97.6Very high184 Ų18466.1 Ų66.169%0.69431%0.31SS*.SBendtrans-76.5-24.5-177.8-177.9175169171.1-2.3113.1R300 F301R276-R300 PolarHBondContact O-NE 2.71Å; R276-F301 PolarHBondContact N-O 3.06Å
277I96.5Very high97.6Very high87 Ų8765.5 Ų65.545%0.44630%0.297SS..  trans-103126.9-168.4-61.1171.2000110.5D275 N279 K280 I281D275-I277 PolarHBondContact OD1-N 3.13Å; I277-N279 PolarHBondContact O-N 2.79Å; I277-K280 HydrophobicContact CB-CB 4.06Å; I277-K280 HydrophobicContact CB-CD 4.01Å; I277-K280 HydrophobicContact CB-CG 4.03Å; I277-K280 HydrophobicContact CD1-CD 3.99Å; I277-K280 HydrophobicContact CG1-CD 4.46Å; I277-K280 HydrophobicContact CG2-CB 4.32Å; I277-K280 HydrophobicContact CG2-CD 4.49Å; I277-K280 HydrophobicContact CG2-CG 4.1Å; I277-K280 WeakPolarHBondContact O-CB 3.26Å; I277-K280 PolarHBondContact O-N 3.29Å; I277-K280 VanDerWaalsContact O-N 3.14Å; I277-I281 PolarHBondContact O-N 3.21Å; I277-I281 VanDerWaalsContact O-N 3.15Å
278R95.6Very high97.6Very high172 Ų17264 Ų6465%0.64929%0.29SS*.Hα-helixtrans-56.5-51.7-177.3-175.6176.8-179.6169.51.9113.2K280 I281 D282R278-K280 PolarHBondContact O-N 2.92Å; R278-K280 VanDerWaalsContact O-N 3.12Å; R278-I281 WeakPolarHBondContact O-CA 3.35Å; R278-I281 WeakPolarHBondContact O-CB 3.37Å; R278-I281 PolarHBondContact O-N 2.89Å; R278-D282 PolarHBondContact O-N 3Å
279N95.5Very high97.6Very high125 Ų12564.6 Ų64.667%0.66830%0.295SS*.Hα-helixtrans-60.1-28.7-178.6-60.67000112.6I277 R283I277-N279 PolarHBondContact O-N 2.79Å; N279-R283 PolarHBondContact O-N 3.03Å; N279-R283 VanDerWaalsContact O-N 3.15Å
280K96.8Very high97.6Very high96 Ų9665.3 Ų65.342%0.41729%0.292SS..Hα-helixtrans-73.4-39.2176.3-79.2-168.8174.7-165.50111.6A253 D275 I277 R278 R283 I284A253-K280 HydrophobicContact CB-CB 3.5Å; A253-K280 HydrophobicContact CB-CD 3.7Å; A253-K280 HydrophobicContact CB-CG 3.9Å; D275-K280 HydrophobicContact CB-CB 4.48Å; D275-K280 WeakPolarHBondContact OD1-CD 3.24Å; I277-K280 HydrophobicContact CB-CB 4.06Å; I277-K280 HydrophobicContact CB-CD 4.01Å; I277-K280 HydrophobicContact CB-CG 4.03Å; I277-K280 HydrophobicContact CD1-CD 3.99Å; I277-K280 HydrophobicContact CG1-CD 4.46Å; I277-K280 HydrophobicContact CG2-CB 4.32Å; I277-K280 HydrophobicContact CG2-CD 4.49Å; I277-K280 HydrophobicContact CG2-CG 4.1Å; I277-K280 WeakPolarHBondContact O-CB 3.26Å; I277-K280 PolarHBondContact O-N 3.29Å; I277-K280 VanDerWaalsContact O-N 3.14Å; R278-K280 PolarHBondContact O-N 2.92Å; R278-K280 VanDerWaalsContact O-N 3.12Å; K280-R283 WeakPolarHBondContact O-CB 3.29Å; K280-R283 PolarHBondContact O-N 3.39Å; K280-I284 WeakPolarHBondContact O-CG1 3.44Å; K280-I284 PolarHBondContact O-N 2.8Å; K280-I284 VanDerWaalsContact O-N 3.08Å
281I97.8Very high97.5Very high2 Ų263.6 Ų63.61%0.0128%0.284CS..Hα-helixtrans-62-44.6170.9-63.1-60.8000111.5D275 I277 R278 R283 I284 R285 A298 F299 R300D275-I281 HydrophobicContact CB-CD1 3.59Å; D275-I281 HydrophobicContact CB-CG1 4.27Å; I277-I281 PolarHBondContact O-N 3.21Å; I277-I281 VanDerWaalsContact O-N 3.15Å; R278-I281 WeakPolarHBondContact O-CA 3.35Å; R278-I281 WeakPolarHBondContact O-CB 3.37Å; R278-I281 PolarHBondContact O-N 2.89Å; I281-R283 PolarHBondContact O-N 3.29Å; I281-I284 HydrophobicContact CD1-CD1 4.07Å; I281-I284 WeakPolarHBondContact O-CB 3.28Å; I281-I284 PolarHBondContact O-N 3.06Å; I281-I284 VanDerWaalsContact O-N 3.08Å; I281-R285 VanDerWaalsContact CG2-CZ 3.41Å; I281-R285 PolarHBondContact O-N 3.35Å; I281-A298 HydrophobicContact CG2-CB 4.11Å; I281-F299 WeakPolarHBondContact CD1-O 3.48Å; I281-R300 HydrophobicContact CG1-CB 4Å
282D97.4Very high97.4Very high66 Ų6667 Ų6735%0.35331%0.308SS..Hα-helixtrans-61.3-34.8178.4-61.9-30.1000110.9R278 R285 Q286R278-D282 PolarHBondContact O-N 3Å; D282-R285 PolarHBondContact O-N 3.09Å; D282-R285 IonicContact OD1-NH1 2.76Å; D282-R285 PolarHBondContact OD1-NH1 3.23Å; D282-Q286 WeakPolarHBondContact O-CB 3.04Å; D282-Q286 PolarHBondContact O-N 2.86Å
283R97.4Very high97.4Very high126 Ų12667.5 Ų67.548%0.47531%0.311SS..Hα-helixtrans-65.7-41.8172.5-172.161.761.5172.87.5113.2P254 N279 K280 I281 R285 Q286 N287P254-R283 HydrophobicContact CB-CG 3.79Å; N279-R283 PolarHBondContact O-N 3.03Å; N279-R283 VanDerWaalsContact O-N 3.15Å; K280-R283 WeakPolarHBondContact O-CB 3.29Å; K280-R283 PolarHBondContact O-N 3.39Å; I281-R283 PolarHBondContact O-N 3.29Å; R283-R285 VanDerWaalsContact C-N 3.34Å; R283-Q286 PolarHBondContact O-N 2.98Å; R283-N287 WeakPolarHBondContact O-CB 3.41Å; R283-N287 PolarHBondContact O-N 2.79Å; R283-N287 PolarHBondContact O-ND2 3.48Å
284I98.1Very high97.4Very high0 Ų075.9 Ų75.90%035%0.35CS..Hα-helixtrans-59.7-47.8175.6-64.2165.3000109.7A252 A253 A273 K280 I281 Q286 N287 A288 I296 A298A252-I284 HydrophobicContact CB-CD1 3.61Å; A253-I284 HydrophobicContact CB-CD1 4.05Å; A253-I284 HydrophobicContact CB-CG1 4.27Å; A273-I284 HydrophobicContact CB-CG2 4.21Å; K280-I284 WeakPolarHBondContact O-CG1 3.44Å; K280-I284 PolarHBondContact O-N 2.8Å; K280-I284 VanDerWaalsContact O-N 3.08Å; I281-I284 HydrophobicContact CD1-CD1 4.07Å; I281-I284 WeakPolarHBondContact O-CB 3.28Å; I281-I284 PolarHBondContact O-N 3.06Å; I281-I284 VanDerWaalsContact O-N 3.08Å; I284-Q286 PolarHBondContact O-N 2.89Å; I284-N287 PolarHBondContact O-N 2.86Å; I284-A288 WeakPolarHBondContact O-CB 3.23Å; I284-A288 PolarHBondContact O-N 3.44Å; I284-I296 HydrophobicContact CG2-CG2 4.36Å; I284-A298 HydrophobicContact CB-CB 4.38Å; I284-A298 HydrophobicContact CG2-CB 3.94Å
285R98.3Very high97.3Very high124 Ų12476.5 Ų76.547%0.46835%0.354SS..Hα-helixtrans-61.6-43.5178.6-68.3176.7-177.3146.9-3.6112.1I281 D282 R283 A288 Q289 A298I281-R285 VanDerWaalsContact CG2-CZ 3.41Å; I281-R285 PolarHBondContact O-N 3.35Å; D282-R285 PolarHBondContact O-N 3.09Å; D282-R285 IonicContact OD1-NH1 2.76Å; D282-R285 PolarHBondContact OD1-NH1 3.23Å; R283-R285 VanDerWaalsContact C-N 3.34Å; R285-A288 PolarHBondContact O-N 3.02Å; R285-Q289 WeakPolarHBondContact O-CB 3.44Å; R285-Q289 PolarHBondContact O-N 3.32Å; R285-A298 HydrophobicContact CG-CB 4.03Å; R285-A298 PolarHBondContact NH2-O 2.94Å
286Q97.9Very high97.4Very high93 Ų9376.8 Ų76.844%0.43536%0.355SS..Hα-helixtrans-60.1-46.8175.7-174.8-178.915.300111.1D282 R283 I284 Q289 T290D282-Q286 WeakPolarHBondContact O-CB 3.04Å; D282-Q286 PolarHBondContact O-N 2.86Å; R283-Q286 PolarHBondContact O-N 2.98Å; I284-Q286 PolarHBondContact O-N 2.89Å; Q286-Q289 PolarHBondContact O-N 3.41Å; Q286-T290 WeakPolarHBondContact O-CB 3.5Å; Q286-T290 PolarHBondContact O-N 2.86Å; Q286-T290 PolarHBondContact O-OG1 2.88Å
287N97.8Very high97.5Very high28 Ų2871.6 Ų71.615%0.1534%0.338CS..Hα-helixtrans-65-42.2179.3-74-19000112F226 P254 R283 I284 Q289 T290 L291F226-N287 HydrophobicContact CE2-CB 4.38Å; P254-N287 PolarHBondContact O-ND2 3.22Å; R283-N287 WeakPolarHBondContact O-CB 3.41Å; R283-N287 PolarHBondContact O-N 2.79Å; R283-N287 PolarHBondContact O-ND2 3.48Å; I284-N287 PolarHBondContact O-N 2.86Å; N287-Q289 VanDerWaalsContact C-N 3.34Å; N287-Q289 PolarHBondContact O-N 3.48Å; N287-T290 PolarHBondContact O-N 3.39Å; N287-L291 WeakPolarHBondContact O-CB 3.28Å; N287-L291 WeakPolarHBondContact O-CG 3.16Å; N287-L291 PolarHBondContact O-N 2.94Å
288A97.9Very high97.6Very high7 Ų767.9 Ų67.96%0.05832%0.32CS..Hα-helixtrans-59.4-44.8174.600000111.6I284 R285 L291 S292 L293 I296I284-A288 WeakPolarHBondContact O-CB 3.23Å; I284-A288 PolarHBondContact O-N 3.44Å; R285-A288 PolarHBondContact O-N 3.02Å; A288-L291 CarbonylContact O-C 3.56Å; A288-L291 PolarHBondContact O-N 3.03Å; A288-S292 PolarHBondContact O-N 2.94Å; A288-S292 VanDerWaalsContact O-N 3.07Å; A288-L293 PolarHBondContact O-N 3.32Å; A288-I296 HydrophobicContact CB-CB 4.32Å; A288-I296 HydrophobicContact CB-CD1 3.77Å
289Q97.8Very high97.7Very high156 Ų15662.1 Ų62.173%0.72930%0.3SS*.Hα-helixtrans-63.8-47.5177.1-174.5179.16.700112R285 Q286 N287 L291 S292R285-Q289 WeakPolarHBondContact O-CB 3.44Å; R285-Q289 PolarHBondContact O-N 3.32Å; Q286-Q289 PolarHBondContact O-N 3.41Å; N287-Q289 VanDerWaalsContact C-N 3.34Å; N287-Q289 PolarHBondContact O-N 3.48Å; Q289-L291 VanDerWaalsContact C-N 3.27Å; Q289-L291 PolarHBondContact O-N 2.77Å; Q289-S292 PolarHBondContact O-N 3.39Å
290T97.3Very high97.8Very high52 Ų5264.4 Ų64.432%0.31930%0.299SS..Hα-helixtrans-59.3-39.8178.8-58.20000111.5P222 S223 Q286 N287 S292P222-T290 HydrophobicContact CB-CG2 3.93Å; P222-T290 WeakPolarHBondContact O-CG2 3.42Å; S223-T290 WeakPolarHBondContact CA-O 3.23Å; S223-T290 VanDerWaalsContact CB-O 3.23Å; S223-T290 WeakPolarHBondContact CB-O 3.48Å; Q286-T290 WeakPolarHBondContact O-CB 3.5Å; Q286-T290 PolarHBondContact O-N 2.86Å; Q286-T290 PolarHBondContact O-OG1 2.88Å; N287-T290 PolarHBondContact O-N 3.39Å; T290-S292 VanDerWaalsContact C-N 3.27Å; T290-S292 PolarHBondContact O-N 3.13Å
291L96.6Very high97.8Very high1 Ų162.2 Ų62.21%0.00529%0.29CS..THydrogen-bonded Turntrans-85.25.4178.5-61.6178.8000113.5H65 S223 F226 C259 N287 A288 Q289 L293H65-L291 PolarHBondContact CE1-O 2.92Å; H65-L291 PolarHBondContact NE2-O 3.32Å; S223-L291 VanDerWaalsContact O-CD2 3.32Å; S223-L291 WeakPolarHBondContact O-CD2 3.44Å; F226-L291 HydrophobicContact CD2-CD1 4.01Å; C259-L291 HydrophobicContact CB-CD1 3.66Å; N287-L291 WeakPolarHBondContact O-CB 3.28Å; N287-L291 WeakPolarHBondContact O-CG 3.16Å; N287-L291 PolarHBondContact O-N 2.94Å; A288-L291 CarbonylContact O-C 3.56Å; A288-L291 PolarHBondContact O-N 3.03Å; Q289-L291 VanDerWaalsContact C-N 3.27Å; Q289-L291 PolarHBondContact O-N 2.77Å; L291-L293 HydrophobicContact CB-CD1 3.89Å; L291-L293 HydrophobicContact CB-CG 4.18Å; L291-L293 HydrophobicContact CD1-CD1 4.35Å; L291-L293 PolarHBondContact O-N 2.74Å
292S97.5Very high97.8Very high71 Ų7164.2 Ų64.250%0.49730%0.3SS..THydrogen-bonded Turntrans54.744.8179.9-550000114.1A288 Q289 T290A288-S292 PolarHBondContact O-N 2.94Å; A288-S292 VanDerWaalsContact O-N 3.07Å; Q289-S292 PolarHBondContact O-N 3.39Å; T290-S292 VanDerWaalsContact C-N 3.27Å; T290-S292 PolarHBondContact O-N 3.13Å
293L98.1Very high97.8Very high11 Ų1161.3 Ų61.36%0.05829%0.286CS..  trans-105.9123.3178.5-64.8164.9000110.3H65 C259 A262 A263 D267 A288 L291 I296H65-L293 WeakPolarHBondContact NE2-CD2 3.48Å; C259-L293 HydrophobicContact CB-CD1 3.61Å; C259-L293 WeakPolarHBondContact O-CD1 3.32Å; A262-L293 HydrophobicContact CB-CB 4.48Å; A262-L293 HydrophobicContact CB-CD1 4.19Å; A262-L293 HydrophobicContact CB-CD2 3.98Å; A262-L293 HydrophobicContact CB-CG 4.45Å; A263-L293 HydrophobicContact CB-CD2 4.4Å; D267-L293 HydrophobicContact CB-CD2 4.2Å; A288-L293 PolarHBondContact O-N 3.32Å; L291-L293 HydrophobicContact CB-CD1 3.89Å; L291-L293 HydrophobicContact CB-CG 4.18Å; L291-L293 HydrophobicContact CD1-CD1 4.35Å; L291-L293 PolarHBondContact O-N 2.74Å; L293-I296 HydrophobicContact CB-CD1 3.83Å; L293-I296 HydrophobicContact CB-CG1 4.41Å; L293-I296 HydrophobicContact CD1-CD1 3.94Å
294Q98Very high97.8Very high176 Ų17657.5 Ų57.582%0.82228%0.276SS*.  trans-106.3-22.6-173.8-58.6-173.9-4.400113.3D267 I296D267-Q294 VanDerWaalsContact CG-N 3.34Å; D267-Q294 PolarHBondContact OD1-N 2.91Å; D267-Q294 VanDerWaalsContact OD1-N 3.12Å; D267-Q294 WeakPolarHBondContact OD2-CB 3.32Å; D267-Q294 PolarHBondContact OD2-N 3.42Å; Q294-I296 PolarHBondContact O-N 3.01Å
295S98Very high97.7Very high13 Ų1363.4 Ų63.49%0.09130%0.304CS..SBendtrans-70.3-7.6179.961.20000114.3A262 D267 G269 V271A262-S295 WeakPolarHBondContact CB-OG 2.92Å; D267-S295 WeakPolarHBondContact OD1-CB 3.43Å; D267-S295 PolarHBondContact OD1-N 3Å; D267-S295 PolarHBondContact OD1-OG 3.28Å; G269-S295 WeakPolarHBondContact O-CB 3.42Å; V271-S295 PolarHBondContact N-O 3.31Å
296I98.6Very high97.6Very high22 Ų2257.5 Ų57.511%0.11328%0.282CS..EExtended strand (participates in β ladder)trans-87.1119.7-174.6-58.7172.3000111.3T258 C259 A262 V271 A273 I284 A288 L293 Q294T258-I296 HydrophobicContact CG2-CD1 4.29Å; T258-I296 HydrophobicContact CG2-CG1 4.39Å; T258-I296 HydrophobicContact CG2-CG2 3.84Å; C259-I296 HydrophobicContact CB-CD1 4.48Å; A262-I296 HydrophobicContact CB-CD1 3.81Å; A262-I296 HydrophobicContact CB-CG1 3.7Å; V271-I296 HydrophobicContact CB-CG1 4.21Å; V271-I296 CarbonylContact O-C 3.53Å; V271-I296 WeakPolarHBondContact O-CA 3.3Å; A273-I296 HydrophobicContact CB-CG2 4.34Å; I284-I296 HydrophobicContact CG2-CG2 4.36Å; A288-I296 HydrophobicContact CB-CB 4.32Å; A288-I296 HydrophobicContact CB-CD1 3.77Å; L293-I296 HydrophobicContact CB-CD1 3.83Å; L293-I296 HydrophobicContact CB-CG1 4.41Å; L293-I296 HydrophobicContact CD1-CD1 3.94Å; Q294-I296 PolarHBondContact O-N 3.01Å
297K98.1Very high97.5Very high75 Ų7554.2 Ų54.233%0.32627%0.268SS..EExtended strand (participates in β ladder)trans-110107.3170.4-60.8-170.8-170.5165.70110.8E270 V271 V272 A273 F299E270-K297 VanDerWaalsContact OE1-CD 3.23Å; E270-K297 WeakPolarHBondContact OE1-CD 3.38Å; E270-K297 WeakPolarHBondContact OE1-CE 3.23Å; E270-K297 IonicContact OE1-NZ 2.73Å; E270-K297 PolarHBondContact OE1-NZ 3.43Å; V271-K297 PolarHBondContact O-N 2.91Å; V272-K297 WeakPolarHBondContact CA-O 3.49Å; A273-K297 PolarHBondContact N-O 3.47Å; K297-F299 HydrophobicContact CB-CD2 4.48Å; K297-F299 HydrophobicContact CB-CE2 3.57Å; K297-F299 HydrophobicContact CB-CZ 3.97Å; K297-F299 HydrophobicContact CD-CZ 4.42Å; K297-F299 WeakPolarHBondContact O-CD2 3.49Å
298A98.1Very high97.2Very high10 Ų1053.8 Ų53.88%0.08327%0.267CS..EExtended strand (participates in β ladder)trans-100124.7-177.100000112.9A273 I281 I284 R285A273-A298 HydrophobicContact CB-CB 4.21Å; A273-A298 CarbonylContact O-C 3.58Å; A273-A298 WeakPolarHBondContact O-CA 3.38Å; I281-A298 HydrophobicContact CG2-CB 4.11Å; I284-A298 HydrophobicContact CB-CB 4.38Å; I284-A298 HydrophobicContact CG2-CB 3.94Å; R285-A298 HydrophobicContact CG-CB 4.03Å; R285-A298 PolarHBondContact NH2-O 2.94Å
299F97.9Very high96.7Very high51 Ų5159.1 Ų59.122%0.22430%0.295CS..EExtended strand (participates in β ladder)trans-124.9134-176.9-57.8-84.7000112.3V272 A273 L274 D275 I281 K297 F301 E316 P318V272-F299 HydrophobicContact CG1-CD2 4.05Å; V272-F299 HydrophobicContact CG1-CE2 4.2Å; A273-F299 PolarHBondContact O-N 3.17Å; L274-F299 HydrophobicContact CD2-CB 3.83Å; L274-F299 HydrophobicContact CD2-CD2 4.27Å; D275-F299 PolarHBondContact N-O 3.44Å; I281-F299 WeakPolarHBondContact CD1-O 3.48Å; K297-F299 HydrophobicContact CB-CD2 4.48Å; K297-F299 HydrophobicContact CB-CE2 3.57Å; K297-F299 HydrophobicContact CB-CZ 3.97Å; K297-F299 HydrophobicContact CD-CZ 4.42Å; K297-F299 WeakPolarHBondContact O-CD2 3.49Å; F299-F301 PolarHBondContact O-N 3.37Å; F299-F301 VanDerWaalsContact O-N 3.15Å; F299-E316 VanDerWaalsContact CZ-O 3.28Å; F299-E316 WeakPolarHBondContact CZ-O 3.31Å; F299-P318 HydrophobicContact CB-CG 3.75Å; F299-P318 HydrophobicContact CD1-CG 4.49Å; F299-P318 VanDerWaalsContact CG-CD 3.43Å; F299-P318 HydrophobicContact CG-CG 4.03Å
300R97.6Very high95.8Very high173 Ų17358.5 Ų58.565%0.65329%0.292SS*.EExtended strand (participates in β ladder)trans-74.3104168.7-178.3-165.7164.9-156.5-5.7108.7D275 R276 I281D275-R300 CarbonylContact O-C 3.53Å; D275-R300 VanDerWaalsContact O-CA 3.26Å; D275-R300 WeakPolarHBondContact O-CA 3.42Å; R276-R300 PolarHBondContact O-NE 2.71Å; I281-R300 HydrophobicContact CG1-CB 4Å
301F97.5Very high94.1Very high49 Ų4962.4 Ų62.422%0.21532%0.318CS..  trans-152.1155.1-177.7-155.5-96.8000112.1L274 D275 R276 F299 Q305 A306 P318 P319L274-F301 HydrophobicContact CD2-CB 4.19Å; D275-F301 CarbonylContact C-O 3.57Å; D275-F301 PolarHBondContact O-N 3.49Å; R276-F301 PolarHBondContact N-O 3.06Å; F299-F301 PolarHBondContact O-N 3.37Å; F299-F301 VanDerWaalsContact O-N 3.15Å; F301-Q305 HydrophobicContact CE1-CB 4.19Å; F301-Q305 WeakPolarHBondContact CE1-O 3.41Å; F301-A306 HydrophobicContact CD1-CB 4.43Å; F301-A306 HydrophobicContact CE1-CB 4.42Å; F301-P318 HydrophobicContact CB-CB 4.15Å; F301-P318 HydrophobicContact CB-CG 3.67Å; F301-P318 HydrophobicContact CD1-CB 3.77Å; F301-P318 HydrophobicContact CD1-CG 4.21Å; F301-P318 HydrophobicContact CD2-CB 3.75Å; F301-P318 HydrophobicContact CD2-CG 3.54Å; F301-P318 HydrophobicContact CE1-CB 4.07Å; F301-P318 HydrophobicContact CE2-CB 4.03Å; F301-P318 HydrophobicContact CE2-CG 4.21Å; F301-P318 HydrophobicContact CG-CB 3.6Å; F301-P318 HydrophobicContact CG-CG 3.53Å; F301-P318 HydrophobicContact CZ-CB 4.19Å; F301-P319 HydrophobicContact CE1-CB 4.4Å; F301-P319 HydrophobicContact CZ-CB 4.03Å; F301-P319 HydrophobicContact CZ-CG 4.41Å
302N97.3Very high92.3Very high44 Ų4465.1 Ų65.124%0.23534%0.335CS..  trans-87.4107.3172.6178.915.2000109.8T304 Q305N302-T304 PolarHBondContact ND2-OG1 2.78Å; N302-T304 PolarHBondContact O-N 2.8Å; N302-T304 VanDerWaalsContact O-N 3.08Å; N302-T304 PolarHBondContact OD1-N 3.16Å; N302-T304 PolarHBondContact OD1-OG1 3.1Å; N302-Q305 PolarHBondContact ND2-OE1 3.45Å; N302-Q305 PolarHBondContact O-N 2.9Å
303S97.4Very high90.2Very high6 Ų670.8 Ų70.84%0.04235%0.353CS..G310 helixtrans-63.4-18.2-174.4-49.30000114.3M250 L274 Q305 A306 A365M250-S303 WeakPolarHBondContact CE-O 3.45Å; M250-S303 VanDerWaalsContact O-CB 3.29Å; M250-S303 WeakPolarHBondContact O-CB 3.12Å; M250-S303 PolarHBondContact O-OG 3.21Å; L274-S303 WeakPolarHBondContact CB-OG 3.41Å; S303-Q305 PolarHBondContact O-N 2.8Å; S303-A306 WeakPolarHBondContact O-CB 3.5Å; S303-A306 PolarHBondContact O-N 3.48Å; S303-A365 WeakPolarHBondContact O-CB 3.43Å
304T97.8Very high88.1Confident45 Ų4579.5 Ų79.528%0.27639%0.393SS..G310 helixtrans-70.5-12.7171.672.50000113.2N302 L358 K361 L362N302-T304 PolarHBondContact ND2-OG1 2.78Å; N302-T304 PolarHBondContact O-N 2.8Å; N302-T304 VanDerWaalsContact O-N 3.08Å; N302-T304 PolarHBondContact OD1-N 3.16Å; N302-T304 PolarHBondContact OD1-OG1 3.1Å; T304-L358 HydrophobicContact CG2-CD1 4Å; T304-K361 HydrophobicContact CG2-CB 4.05Å; T304-L362 HydrophobicContact CG2-CD2 3.66Å; T304-L362 HydrophobicContact CG2-CG 4.01Å
305Q96.8Very high86.2Confident125 Ų12573.5 Ų73.558%0.58437%0.374SS*.G310 helixtrans-117.414.1-179.3-67.7172.2-40.600111.3F301 N302 S303 V307F301-Q305 HydrophobicContact CE1-CB 4.19Å; F301-Q305 WeakPolarHBondContact CE1-O 3.41Å; N302-Q305 PolarHBondContact ND2-OE1 3.45Å; N302-Q305 PolarHBondContact O-N 2.9Å; S303-Q305 PolarHBondContact O-N 2.8Å; Q305-V307 PolarHBondContact O-N 3.22Å
306A95.9Very high85.2Confident0 Ų080.1 Ų80.10%040%0.404CS..  trans-73.9-2.5-172.400000114.4L274 F301 S303 F320 L369L274-A306 HydrophobicContact CD1-CB 3.94Å; F301-A306 HydrophobicContact CD1-CB 4.43Å; F301-A306 HydrophobicContact CE1-CB 4.42Å; S303-A306 WeakPolarHBondContact O-CB 3.5Å; S303-A306 PolarHBondContact O-N 3.48Å; A306-F320 PolarHBondContact O-N 2.68Å; A306-L369 HydrophobicContact CB-CD1 3.82Å
307V95.3Very high84.6Confident24 Ų2479.9 Ų79.915%0.14541%0.406CS..BIsolated β-bridgetrans-101.4131.8177-171.90000109.5Q305 F320 P322 A365 R368 L369Q305-V307 PolarHBondContact O-N 3.22Å; V307-F320 CarbonylContact C-O 3.54Å; V307-F320 WeakPolarHBondContact CA-O 3.38Å; V307-P322 HydrophobicContact CG1-CG 4Å; V307-A365 HydrophobicContact CG2-CB 4.16Å; V307-R368 HydrophobicContact CG1-CB 4.22Å; V307-R368 HydrophobicContact CG2-CB 3.72Å; V307-L369 HydrophobicContact CB-CD2 4.39Å; V307-L369 HydrophobicContact CG2-CD1 4.35Å; V307-L369 HydrophobicContact CG2-CD2 3.87Å; V307-L369 HydrophobicContact CG2-CG 3.74Å
308S92.1Very high84.4Confident19 Ų1977.4 Ų77.413%0.13340%0.398CS..  trans-125.4127.7169.6-176.50000110.6E310 F320 P322S308-E310 VanDerWaalsContact C-N 3.33Å; S308-E310 PolarHBondContact OG-N 3.08Å; S308-F320 PolarHBondContact N-O 3.33Å; S308-P322 WeakPolarHBondContact O-CD 3.37Å
309D86.3Confident84.2Confident119 Ų11979.1 Ų79.164%0.63641%0.408SS*.  trans-86.6-7173.3-61.2-53.9000112.3R368D309-R368 IonicContact OD1-NH2 3.54Å; D309-R368 PolarHBondContact OD1-NH2 2.92Å; D309-R368 IonicContact OD2-CZ 3.41Å; D309-R368 IonicContact OD2-NH2 2.71Å; D309-R368 PolarHBondContact OD2-NH2 3.47Å
310E80.6Confident84.1Confident143 Ų14376.7 Ų76.767%0.66840%0.398SS*.SBendtrans-73.4138.1176.3-66-172.4174.500110.4S308 T312S308-E310 VanDerWaalsContact C-N 3.33Å; S308-E310 PolarHBondContact OG-N 3.08Å; E310-T312 PolarHBondContact O-N 3.41Å
311P61.6Low84Confident134 Ų13471.4 Ų71.487%0.8739%0.386SS*.  trans-67.980.5172.928.6-32.6000109Q313P311-Q313 PolarHBondContact O-N 3.46Å
312T57.3Low83.9Confident58 Ų5871.5 Ų71.536%0.35639%0.391SS..  trans-75.6115.1169.739.50000106.5E310 E314E310-T312 PolarHBondContact O-N 3.41Å; T312-E314 PolarHBondContact O-N 3.31Å
313Q53.2Low83.9Confident189 Ų18973.1 Ų73.188%0.88340%0.397SS*.SBendtrans-51.6115165-78176.7-19.400107.6P311 A315P311-Q313 PolarHBondContact O-N 3.46Å; Q313-A315 PolarHBondContact O-N 3.3Å
314E55.6Low83.9Confident194 Ų19473.7 Ų73.791%0.90740%0.401SS*.SBendtrans27.152.6163.8-64.5178170.700115.3T312 E316T312-E314 PolarHBondContact O-N 3.31Å; E314-E316 PolarHBondContact O-N 2.78Å; E314-E316 VanDerWaalsContact O-N 3.11Å
315A57.9Low83.9Confident50 Ų5071.5 Ų71.541%0.41339%0.388SS..  trans-71.9114.4177.700000107.5Q313 G317Q313-A315 PolarHBondContact O-N 3.3Å; A315-G317 PolarHBondContact O-N 3.38Å
316E76.8Confident84Confident153 Ų15367.4 Ų67.472%0.71537%0.37SS*.SBendtrans-61.3-9.3176.8-67.8-170.8155.800113.2F299 E314F299-E316 VanDerWaalsContact CZ-O 3.28Å; F299-E316 WeakPolarHBondContact CZ-O 3.31Å; E314-E316 PolarHBondContact O-N 2.78Å; E314-E316 VanDerWaalsContact O-N 3.11Å
317G86.1Confident84.1Confident16 Ų1668.9 Ų68.917%0.16538%0.375CS..SBendtrans-135.5173.3-176.300000114.2A315A315-G317 PolarHBondContact O-N 3.38Å
318P92.6Very high84.3Confident24 Ų2467.8 Ų67.816%0.15637%0.369CS..SBendtrans-69.7153.6-174.928.5-35000113L274 F299 F301 F320L274-P318 HydrophobicContact CD2-CB 4.36Å; L274-P318 HydrophobicContact CD2-CG 4.02Å; F299-P318 HydrophobicContact CB-CG 3.75Å; F299-P318 HydrophobicContact CD1-CG 4.49Å; F299-P318 VanDerWaalsContact CG-CD 3.43Å; F299-P318 HydrophobicContact CG-CG 4.03Å; F301-P318 HydrophobicContact CB-CB 4.15Å; F301-P318 HydrophobicContact CB-CG 3.67Å; F301-P318 HydrophobicContact CD1-CB 3.77Å; F301-P318 HydrophobicContact CD1-CG 4.21Å; F301-P318 HydrophobicContact CD2-CB 3.75Å; F301-P318 HydrophobicContact CD2-CG 3.54Å; F301-P318 HydrophobicContact CE1-CB 4.07Å; F301-P318 HydrophobicContact CE2-CB 4.03Å; F301-P318 HydrophobicContact CE2-CG 4.21Å; F301-P318 HydrophobicContact CG-CB 3.6Å; F301-P318 HydrophobicContact CG-CG 3.53Å; F301-P318 HydrophobicContact CZ-CB 4.19Å; P318-F320 HydrophobicContact CB-CD2 4.15Å; P318-F320 HydrophobicContact CB-CE1 4.45Å; P318-F320 HydrophobicContact CB-CE2 3.61Å; P318-F320 HydrophobicContact CB-CZ 3.77Å; P318-F320 HydrophobicContact CG-CE2 4.41Å; P318-F320 HydrophobicContact CG-CZ 4.23Å
319P95.3Very high84.6Confident45 Ų4566.9 Ų66.929%0.29236%0.362SS..SBendcis-74.8160.10.233.4-36.9000112.7F301F301-P319 HydrophobicContact CE1-CB 4.4Å; F301-P319 HydrophobicContact CZ-CB 4.03Å; F301-P319 HydrophobicContact CZ-CG 4.41Å
320F95.2Very high85.2Confident1 Ų161.2 Ų61.20%0.00433%0.332CS..BIsolated β-bridgetrans-112.3152.9-173.9-55.7-68.2000112L248 V272 L274 A306 V307 S308 P318 F325 L369L248-F320 HydrophobicContact CD1-CE2 4.43Å; V272-F320 HydrophobicContact CG1-CE2 3.79Å; V272-F320 HydrophobicContact CG1-CZ 3.51Å; L274-F320 HydrophobicContact CD1-CE2 4.29Å; L274-F320 HydrophobicContact CD2-CE2 4.29Å; A306-F320 PolarHBondContact O-N 2.68Å; V307-F320 CarbonylContact C-O 3.54Å; V307-F320 WeakPolarHBondContact CA-O 3.38Å; S308-F320 PolarHBondContact N-O 3.33Å; P318-F320 HydrophobicContact CB-CD2 4.15Å; P318-F320 HydrophobicContact CB-CE1 4.45Å; P318-F320 HydrophobicContact CB-CE2 3.61Å; P318-F320 HydrophobicContact CB-CZ 3.77Å; P318-F320 HydrophobicContact CG-CE2 4.41Å; P318-F320 HydrophobicContact CG-CZ 4.23Å; F320-F325 HydrophobicContact CB-CE2 3.94Å; F320-F325 HydrophobicContact CD1-CE2 4.43Å; F320-F325 HydrophobicContact CD1-CZ 4.27Å; F320-F325 AromaticContact CD2-CE2 3.69Å; F320-F325 HydrophobicContact CD2-CE2 3.69Å; F320-F325 AromaticContact CD2-CZ 3.79Å; F320-F325 HydrophobicContact CD2-CZ 3.79Å; F320-F325 HydrophobicContact CE1-CZ 4.4Å; F320-F325 HydrophobicContact CE2-CE2 4.3Å; F320-F325 AromaticContact CE2-CZ 3.93Å; F320-F325 HydrophobicContact CE2-CZ 3.93Å; F320-F325 AromaticContact CG-CE2 3.77Å; F320-F325 HydrophobicContact CG-CE2 3.77Å; F320-F325 AromaticContact CG-CZ 3.96Å; F320-F325 HydrophobicContact CG-CZ 3.96Å; F320-F325 HydrophobicContact CZ-CZ 4.25Å; F320-L369 HydrophobicContact CB-CD2 3.83Å
321P95.1Very high86.1Confident62 Ų6256.1 Ų56.140%0.40331%0.31SS..  trans-64.5153.3173.624.2-30.5000111.5S324P321-S324 VanDerWaalsContact O-CB 3.28Å; P321-S324 WeakPolarHBondContact O-CB 3.35Å; P321-S324 PolarHBondContact O-OG 2.77Å
322P96.3Very high87.8Confident51 Ų5150 Ų5033%0.33127%0.27SS..THydrogen-bonded Turntrans-55.4153170.8-21.532.4000111.6V307 S308 S324 R368V307-P322 HydrophobicContact CG1-CG 4Å; S308-P322 WeakPolarHBondContact O-CD 3.37Å; P322-S324 VanDerWaalsContact C-N 3.3Å; P322-S324 PolarHBondContact O-N 2.96Å; P322-R368 CarbonylContact C-O 3.6Å; P322-R368 VanDerWaalsContact CA-O 3.26Å; P322-R368 WeakPolarHBondContact CA-O 3.35Å
323E97.1Very high89.8Confident78 Ų7849.6 Ų49.636%0.36427%0.268SS..THydrogen-bonded Turntrans53.643.2173.6-50-159.3157.700113.5R368 L369 K371 K465E323-R368 PolarHBondContact N-O 3.21Å; E323-L369 CarbonylContact C-O 3.55Å; E323-L369 WeakPolarHBondContact CA-O 3.43Å; E323-L369 PolarHBondContact N-O 2.83Å; E323-K371 WeakPolarHBondContact O-CG 3.48Å; E323-K465 WeakPolarHBondContact OE1-CE 3.19Å; E323-K465 IonicContact OE1-NZ 3.7Å; E323-K465 PolarHBondContact OE1-NZ 3.17Å
324S96.6Very high91.9Very high17 Ų1741.4 Ų41.412%0.11923%0.232CC..  trans-112.1-1.9-174.162.70000114.8R246 P321 P322 L369R246-S324 PolarHBondContact NH1-O 2.76Å; R246-S324 PolarHBondContact NH1-OG 3.46Å; P321-S324 VanDerWaalsContact O-CB 3.28Å; P321-S324 WeakPolarHBondContact O-CB 3.35Å; P321-S324 PolarHBondContact O-OG 2.77Å; P322-S324 VanDerWaalsContact C-N 3.3Å; P322-S324 PolarHBondContact O-N 2.96Å; S324-L369 PolarHBondContact N-O 2.89Å
325F98.5Very high93.9Very high0 Ų032.5 Ų32.50%019%0.191CC..EExtended strand (participates in β ladder)trans-121.2135.1178.4-69.3-86.1000111.6R246 L248 V272 F320 R327 V328 L369 K371R246-F325 HydrophobicContact CG-CD1 3.72Å; R246-F325 HydrophobicContact CG-CE1 3.86Å; R246-F325 VanDerWaalsContact CZ-CE1 3.46Å; R246-F325 VanDerWaalsContact CZ-CZ 3.42Å; R246-F325 VanDerWaalsContact NH1-CE2 3.32Å; L248-F325 HydrophobicContact CB-CB 4.41Å; L248-F325 HydrophobicContact CB-CD1 3.53Å; L248-F325 HydrophobicContact CB-CD2 4.15Å; L248-F325 HydrophobicContact CB-CE1 3.67Å; L248-F325 HydrophobicContact CB-CE2 4.26Å; L248-F325 HydrophobicContact CB-CG 3.77Å; L248-F325 HydrophobicContact CB-CZ 4.03Å; L248-F325 HydrophobicContact CD1-CE1 4.24Å; L248-F325 HydrophobicContact CD1-CE2 4.45Å; L248-F325 HydrophobicContact CD1-CZ 3.97Å; L248-F325 HydrophobicContact CD2-CD2 4.12Å; L248-F325 HydrophobicContact CD2-CE2 3.99Å; L248-F325 HydrophobicContact CD2-CZ 4.32Å; L248-F325 HydrophobicContact CG-CE1 4.43Å; L248-F325 HydrophobicContact CG-CE2 4.48Å; L248-F325 HydrophobicContact CG-CZ 4.34Å; V272-F325 HydrophobicContact CB-CE1 3.83Å; V272-F325 HydrophobicContact CB-CZ 4.13Å; V272-F325 HydrophobicContact CG1-CZ 4.34Å; V272-F325 HydrophobicContact CG2-CE1 3.7Å; V272-F325 HydrophobicContact CG2-CZ 4.05Å; F320-F325 HydrophobicContact CB-CE2 3.94Å; F320-F325 HydrophobicContact CD1-CE2 4.43Å; F320-F325 HydrophobicContact CD1-CZ 4.27Å; F320-F325 AromaticContact CD2-CE2 3.69Å; F320-F325 HydrophobicContact CD2-CE2 3.69Å; F320-F325 AromaticContact CD2-CZ 3.79Å; F320-F325 HydrophobicContact CD2-CZ 3.79Å; F320-F325 HydrophobicContact CE1-CZ 4.4Å; F320-F325 HydrophobicContact CE2-CE2 4.3Å; F320-F325 AromaticContact CE2-CZ 3.93Å; F320-F325 HydrophobicContact CE2-CZ 3.93Å; F320-F325 AromaticContact CG-CE2 3.77Å; F320-F325 HydrophobicContact CG-CE2 3.77Å; F320-F325 AromaticContact CG-CZ 3.96Å; F320-F325 HydrophobicContact CG-CZ 3.96Å; F320-F325 HydrophobicContact CZ-CZ 4.25Å; F325-R327 VanDerWaalsContact C-N 3.35Å; F325-V328 HydrophobicContact CB-CG2 4.04Å; F325-L369 HydrophobicContact CD2-CB 4.06Å; F325-L369 PolarHBondContact N-O 2.84Å; F325-L369 VanDerWaalsContact N-O 3.11Å; F325-K371 WeakPolarHBondContact O-CB 3.22Å; F325-K371 WeakPolarHBondContact O-CG 3.3Å; F325-K371 PolarHBondContact O-N 2.89Å
326D98.8Very high95.7Very high38 Ų3830.5 Ų30.520%0.20318%0.176CC..EExtended strand (participates in β ladder)trans-70.8-35.7176.7-57.7-63.4000110.7E245 R246 K371 G374 V375E245-D326 HydrophobicContact CB-CB 4.04Å; E245-D326 HydrophobicContact CG-CB 4.13Å; R246-D326 PolarHBondContact N-OD2 3.39Å; R246-D326 PolarHBondContact O-N 3.01Å; D326-K371 VanDerWaalsContact OD1-CD 3.24Å; D326-K371 WeakPolarHBondContact OD1-CD 3.39Å; D326-K371 WeakPolarHBondContact OD1-CE 3.27Å; D326-K371 IonicContact OD1-NZ 2.76Å; D326-K371 PolarHBondContact OD1-NZ 3.19Å; D326-K371 IonicContact OD2-NZ 3.85Å; D326-K371 PolarHBondContact OD2-NZ 3.4Å; D326-G374 WeakPolarHBondContact O-CA 3.44Å; D326-V375 PolarHBondContact O-N 3.47Å
327R98.9Very high96.6Very high32 Ų3223.3 Ų23.312%0.12114%0.142CC..EExtended strand (participates in β ladder)trans-141152.5170.4-44.8-173.817223.5-17.9112.7L239 A240 E245 I247 L248 F325 V375L239-R327 HydrophobicContact CD1-CB 3.8Å; L239-R327 HydrophobicContact CG-CB 4.34Å; L239-R327 WeakPolarHBondContact O-CD 3.41Å; L239-R327 PolarHBondContact O-NE 2.95Å; L239-R327 VanDerWaalsContact O-NE 3.08Å; A240-R327 PolarHBondContact O-NE 3.35Å; A240-R327 PolarHBondContact O-NH2 3.4Å; A240-R327 VanDerWaalsContact O-NH2 3.1Å; E245-R327 VanDerWaalsContact CD-CZ 3.4Å; E245-R327 IonicContact OE1-CZ 2.86Å; E245-R327 IonicContact OE1-NH1 3.88Å; E245-R327 PolarHBondContact OE1-NH1 3.15Å; E245-R327 IonicContact OE1-NH2 2.73Å; E245-R327 PolarHBondContact OE1-NH2 3.23Å; E245-R327 IonicContact OE2-CZ 3.45Å; E245-R327 IonicContact OE2-NE 2.72Å; E245-R327 PolarHBondContact OE2-NE 3.39Å; E245-R327 IonicContact OE2-NH1 3.93Å; E245-R327 PolarHBondContact OE2-NH1 3.35Å; E245-R327 IonicContact OE2-NH2 3.88Å; E245-R327 PolarHBondContact OE2-NH2 3.13Å; I247-R327 WeakPolarHBondContact CA-O 3.39Å; I247-R327 HydrophobicContact CD1-CB 3.71Å; I247-R327 HydrophobicContact CD1-CG 3.74Å; I247-R327 HydrophobicContact CG2-CB 4.33Å; L248-R327 PolarHBondContact N-O 3Å; F325-R327 VanDerWaalsContact C-N 3.35Å; R327-V375 CarbonylContact C-O 3.39Å; R327-V375 WeakPolarHBondContact CA-O 3.08Å; R327-V375 HydrophobicContact CB-CB 4.44Å; R327-V375 WeakPolarHBondContact CB-O 3.5Å; R327-V375 HydrophobicContact CG-CB 4.06Å
328V98.9Very high97.2Very high0 Ų022.6 Ų22.60%013%0.134CC..EExtended strand (participates in β ladder)trans-127.5126.8174.7-179.30000109.2L248 M250 F325 A366 L370 V375 L376 V377L248-V328 HydrophobicContact CB-CG1 4.38Å; L248-V328 HydrophobicContact CB-CG2 4.17Å; L248-V328 HydrophobicContact CD2-CG1 4.24Å; L248-V328 HydrophobicContact CD2-CG2 4.36Å; L248-V328 HydrophobicContact CG-CG1 4.45Å; L248-V328 CarbonylContact O-C 3.53Å; L248-V328 WeakPolarHBondContact O-CA 3.28Å; M250-V328 HydrophobicContact CG-CG1 3.83Å; M250-V328 HydrophobicContact SD-CG1 3.7Å; F325-V328 HydrophobicContact CB-CG2 4.04Å; V328-A366 HydrophobicContact CG1-CB 3.86Å; V328-L370 HydrophobicContact CB-CD1 4.38Å; V328-L370 HydrophobicContact CG2-CB 4.14Å; V328-L370 HydrophobicContact CG2-CD1 3.88Å; V328-V375 PolarHBondContact N-O 2.75Å; V328-L376 HydrophobicContact CB-CD1 4.03Å; V328-L376 HydrophobicContact CG1-CD1 4Å; V328-L376 WeakPolarHBondContact O-CA 3.45Å; V328-L376 WeakPolarHBondContact O-CD1 3.46Å; V328-V377 PolarHBondContact O-N 2.79Å
329L98.9Very high97.4Very high0 Ų026.5 Ų26.50%015%0.151CC..EExtended strand (participates in β ladder)trans-96.4122164.3172.861.1000109V235 L239 L248 M250 K257 I261 D331 V377V235-L329 HydrophobicContact CG1-CD1 3.43Å; V235-L329 VanDerWaalsContact CG1-CD1 3.43Å; V235-L329 HydrophobicContact CG1-CD2 4.26Å; L239-L329 HydrophobicContact CD2-CB 4.17Å; L248-L329 PolarHBondContact O-N 3.24Å; M250-L329 PolarHBondContact N-O 2.84Å; K257-L329 HydrophobicContact CB-CD2 3.7Å; K257-L329 HydrophobicContact CD-CD2 3.83Å; K257-L329 HydrophobicContact CG-CD2 4.41Å; I261-L329 HydrophobicContact CD1-CB 4.29Å; I261-L329 HydrophobicContact CD1-CD2 3.78Å; L329-D331 HydrophobicContact CD1-CB 4.4Å; L329-D331 HydrophobicContact CD2-CB 4.49Å; L329-D331 HydrophobicContact CG-CB 4.32Å; L329-V377 HydrophobicContact CD1-CB 4.24Å; L329-V377 HydrophobicContact CD1-CG1 4.14Å
330L98.8Very high97.4Very high0 Ų024.9 Ų24.90%014%0.139CC..EExtended strand (participates in β ladder)trans-110.881.6167.8179.252.5000109.4M250 A332 L362 F363 A366 L376 V377 Y378 S379M250-L330 HydrophobicContact CB-CD1 4.18Å; M250-L330 HydrophobicContact SD-CD1 4.38Å; L330-A332 VanDerWaalsContact C-N 3.25Å; L330-A332 HydrophobicContact CD1-CB 4.01Å; L330-A332 HydrophobicContact CG-CB 4.08Å; L330-A332 PolarHBondContact O-N 2.89Å; L330-L362 HydrophobicContact CD1-CB 3.76Å; L330-L362 HydrophobicContact CD1-CD1 4.29Å; L330-L362 HydrophobicContact CD2-CB 4.13Å; L330-F363 HydrophobicContact CD2-CB 3.87Å; L330-F363 HydrophobicContact CD2-CD2 4Å; L330-F363 HydrophobicContact CD2-CG 4.14Å; L330-A366 HydrophobicContact CD2-CB 4.41Å; L330-L376 HydrophobicContact CB-CD1 4.14Å; L330-V377 PolarHBondContact N-O 2.92Å; L330-Y378 HydrophobicContact CB-CD2 4.36Å; L330-Y378 HydrophobicContact CD2-CD2 3.85Å; L330-Y378 HydrophobicContact CD2-CE2 4.25Å; L330-Y378 HydrophobicContact CG-CD2 3.89Å; L330-Y378 HydrophobicContact CG-CE2 4.33Å; L330-Y378 WeakPolarHBondContact O-CA 2.91Å; L330-S379 PolarHBondContact O-N 3.35Å
331D98.5Very high97.5Very high37 Ų3725.2 Ų25.220%0.19814%0.141CC..EExtended strand (participates in β ladder)trans-78.877.3167.6-16944.3000109.2C251 K257 L329 S379C251-D331 WeakPolarHBondContact CB-O 3.42Å; K257-D331 HydrophobicContact CD-CB 4.11Å; K257-D331 WeakPolarHBondContact CE-OD1 3.43Å; K257-D331 IonicContact NZ-OD1 3.43Å; K257-D331 PolarHBondContact NZ-OD1 3.31Å; K257-D331 IonicContact NZ-OD2 2.66Å; K257-D331 PolarHBondContact NZ-OD2 2.87Å; L329-D331 HydrophobicContact CD1-CB 4.4Å; L329-D331 HydrophobicContact CD2-CB 4.49Å; L329-D331 HydrophobicContact CG-CB 4.32Å; D331-S379 PolarHBondContact OD1-OG 3.14Å
332A98.1Very high97.4Very high5 Ų523.3 Ų23.34%0.04113%0.127CC..  trans-70.3142.7-161.300000112.1L330 C334 Q359 Y378 S379L330-A332 VanDerWaalsContact C-N 3.25Å; L330-A332 HydrophobicContact CD1-CB 4.01Å; L330-A332 HydrophobicContact CG-CB 4.08Å; L330-A332 PolarHBondContact O-N 2.89Å; A332-C334 PolarHBondContact O-N 3.11Å; A332-Q359 HydrophobicContact CB-CG 3.91Å; A332-Y378 HydrophobicContact CB-CD2 4.44Å; A332-Y378 HydrophobicContact CB-CE2 3.67Å; A332-S379 PolarHBondContact N-O 3.26Å
333P97.9Very high97.1Very high49 Ų4921.1 Ų21.132%0.31811%0.112SC..  trans-58131.4168.426.1-34.3000109.2Y355 L358 Q359 L362P333-Y355 HydrophobicContact CB-CD1 4.49Å; P333-Y355 HydrophobicContact CB-CE1 4.32Å; P333-Y355 WeakPolarHBondContact O-CD1 3.47Å; P333-L358 HydrophobicContact CG-CD2 3.84Å; P333-L358 HydrophobicContact CG-CG 4.46Å; P333-Q359 PolarHBondContact O-NE2 3.09Å; P333-L362 HydrophobicContact CG-CD1 3.9Å
334C98Very high96.7Very high17 Ų1718.2 Ų18.212%0.11510%0.102CC..  trans-141.3172.5-173.467.80000110.9A332 G336 T380 C381 T382 E387A332-C334 PolarHBondContact O-N 3.11Å; C334-G336 PolarHBondContact O-N 3.33Å; C334-G336 VanDerWaalsContact O-N 3.13Å; C334-T380 HydrophobicContact CB-CG2 4.28Å; C334-C381 PolarHBondContact SG-N 2.89Å; C334-T382 HydrophobicContact CB-CG2 3.97Å; C334-E387 WeakPolarHBondContact CA-OE2 3.31Å; C334-E387 WeakPolarHBondContact CB-OE2 3.49Å
335S97.2Very high96.4Very high7 Ų717.9 Ų17.95%0.04910%0.099CC..  trans-61.8-18177.656.80000114.9L337 Y355 T382 E387S335-L337 PolarHBondContact O-N 2.94Å; S335-Y355 VanDerWaalsContact CA-CE2 3.49Å; S335-T382 WeakPolarHBondContact OG-CB 3.33Å; S335-T382 PolarHBondContact OG-OG1 3.37Å; S335-E387 VanDerWaalsContact CB-OE1 3.31Å; S335-E387 WeakPolarHBondContact CB-OE1 3.4Å; S335-E387 PolarHBondContact N-OE2 2.99Å; S335-E387 PolarHBondContact OG-OE1 2.89Å
336G96.4Very high96Very high9 Ų922.2 Ų22.29%0.09313%0.126CC..  trans67.118.3174.900000114.3C334 G338 Q339 C381C334-G336 PolarHBondContact O-N 3.33Å; C334-G336 VanDerWaalsContact O-N 3.13Å; G336-G338 PolarHBondContact O-N 3.43Å; G336-G338 VanDerWaalsContact O-N 3.13Å; G336-Q339 WeakPolarHBondContact O-CB 3.29Å; G336-Q339 WeakPolarHBondContact O-CG 3.5Å; G336-Q339 PolarHBondContact O-N 3.49Å; G336-Q339 VanDerWaalsContact O-N 3.17Å; G336-C381 CarbonylContact C-O 3.56Å
337L96.6Very high95.6Very high2 Ų225 Ų251%0.0113%0.134CC..THydrogen-bonded Turntrans-68.2-10.9-176-65.4171.4000113.5L22 L51 S335 I352 V383 T384L22-L337 HydrophobicContact CD1-CD1 4.29Å; L22-L337 HydrophobicContact CD2-CD1 4.04Å; L51-L337 WeakPolarHBondContact CD1-O 3.5Å; L51-L337 VanDerWaalsContact CD2-O 3.28Å; L51-L337 WeakPolarHBondContact CD2-O 3.47Å; S335-L337 PolarHBondContact O-N 2.94Å; L337-I352 HydrophobicContact CD1-CD1 4.1Å; L337-I352 HydrophobicContact CD1-CG2 4.34Å; L337-I352 HydrophobicContact CD2-CD1 4.5Å; L337-V383 HydrophobicContact CB-CG2 4.16Å; L337-T384 HydrophobicContact CD1-CG2 3.88Å
338G97.3Very high95.5Very high0 Ų024.8 Ų24.80%014%0.137CC..THydrogen-bonded Turntrans-86.8-6.7175.300000114.5G336 C381 I456 G457G336-G338 PolarHBondContact O-N 3.43Å; G336-G338 VanDerWaalsContact O-N 3.13Å; G338-C381 WeakPolarHBondContact CA-O 3.46Å; G338-C381 PolarHBondContact N-O 3.09Å; G338-C381 VanDerWaalsContact N-O 3.15Å; G338-I456 CarbonylContact O-C 3.56Å; G338-I456 WeakPolarHBondContact O-CA 3.32Å; G338-I456 WeakPolarHBondContact O-CB 3.21Å; G338-G457 PolarHBondContact O-N 2.79Å
339Q96.8Very high95.4Very high107 Ų10727.1 Ų27.150%0.515%0.149SC..  trans-61.7144-178.2-69.8-176.8-4.700112.1G336 N342G336-Q339 WeakPolarHBondContact O-CB 3.29Å; G336-Q339 WeakPolarHBondContact O-CG 3.5Å; G336-Q339 PolarHBondContact O-N 3.49Å; G336-Q339 VanDerWaalsContact O-N 3.17Å; Q339-N342 WeakPolarHBondContact O-CB 3.22Å
340R96.3Very high95.3Very high11 Ų1135.6 Ų35.64%0.04219%0.186CC..SBendtrans-140.1137.1179.7-67.3179.457.2-156.3-1.7112.3C50 L51 H53 P54 P55 W438 D454 T455 I456C50-R340 PolarHBondContact O-NE 2.71Å; L51-R340 HydrophobicContact CD2-CG 3.96Å; H53-R340 PolarHBondContact O-NE 2.66Å; H53-R340 VanDerWaalsContact O-NE 3.09Å; H53-R340 PolarHBondContact O-NH2 3Å; P54-R340 PolarHBondContact O-NH2 3.09Å; P55-R340 HydrophobicContact CG-CB 4.09Å; R340-W438 VanDerWaalsContact NH2-CZ3 3.32Å; R340-D454 IonicContact CZ-OD1 2.8Å; R340-D454 IonicContact NH1-OD1 3.71Å; R340-D454 PolarHBondContact NH1-OD1 2.6Å; R340-D454 IonicContact NH2-OD1 3.21Å; R340-D454 PolarHBondContact NH2-OD1 3.37Å; R340-T455 VanDerWaalsContact CD-O 3.31Å; R340-T455 WeakPolarHBondContact CD-O 3.28Å; R340-T455 PolarHBondContact NH1-O 3.04Å; R340-I456 HydrophobicContact CB-CG2 4.03Å
341P95.6Very high95.2Very high7 Ų739.6 Ų39.65%0.04521%0.205CC..SBendcis-70.7139.9-10.126.6-27.3000110.8L51 S52 P54 S131 L134 R135L51-P341 CarbonylContact O-C 3.55Å; L51-P341 WeakPolarHBondContact O-CA 3.47Å; S52-P341 WeakPolarHBondContact O-CB 3.46Å; P54-P341 HydrophobicContact CB-CB 4.47Å; P54-P341 HydrophobicContact CB-CG 4.09Å; S131-P341 VanDerWaalsContact CB-O 3.27Å; S131-P341 WeakPolarHBondContact CB-O 3.48Å; S131-P341 PolarHBondContact OG-O 2.98Å; L134-P341 HydrophobicContact CB-CG 3.64Å; L134-P341 HydrophobicContact CD1-CB 4.03Å; L134-P341 HydrophobicContact CD1-CG 3.93Å; L134-P341 HydrophobicContact CG-CG 4.44Å; R135-P341 HydrophobicContact CG-CG 4.35Å
342N94.1Very high95.1Very high23 Ų2337.8 Ų37.812%0.12320%0.196CC..  trans-132.796.6172.8-176.20.6000107.9I12 L51 Q339 A344I12-N342 WeakPolarHBondContact CB-O 3.45Å; I12-N342 HydrophobicContact CD1-CB 4.08Å; I12-N342 WeakPolarHBondContact CD1-O 3.1Å; I12-N342 VanDerWaalsContact CG1-O 3.25Å; I12-N342 WeakPolarHBondContact CG1-O 3.49Å; L51-N342 CarbonylContact C-O 3.6Å; L51-N342 PolarHBondContact O-N 3.5Å; Q339-N342 WeakPolarHBondContact O-CB 3.22Å; N342-A344 PolarHBondContact OD1-N 3.03Å; N342-A344 PolarHBondContact OD1-O 2.75Å
343M89.4Confident95.1Very high4 Ų440.3 Ų40.32%0.0221%0.212CC..  trans-81.6-20.1-175.9-64.1177.8-76.700112.4S13 L134 S161 L163 V179S13-M343 PolarHBondContact N-O 2.89Å; L134-M343 HydrophobicContact CD1-CE 3.9Å; L134-M343 HydrophobicContact CD1-SD 3.92Å; S161-M343 WeakPolarHBondContact OG-CE 3.39Å; L163-M343 HydrophobicContact CD2-CB 3.4Å; L163-M343 VanDerWaalsContact CD2-CB 3.4Å; L163-M343 HydrophobicContact CD2-CE 4.19Å; L163-M343 HydrophobicContact CD2-CG 4.29Å; L163-M343 HydrophobicContact CD2-SD 3.99Å; V179-M343 HydrophobicContact CB-SD 4.1Å; V179-M343 HydrophobicContact CG1-SD 3.85Å
344A89.1Confident95.1Very high17 Ų1741.1 Ų41.114%0.1422%0.219CC..EExtended strand (participates in β ladder)trans-159.3142.9179.700000113.2S13 L163 N342S13-A344 WeakPolarHBondContact O-CA 3.49Å; L163-A344 HydrophobicContact CB-CB 4.09Å; L163-A344 WeakPolarHBondContact O-CB 3.46Å; N342-A344 PolarHBondContact OD1-N 3.03Å; N342-A344 PolarHBondContact OD1-O 2.75Å
345S90.4Very high95.1Very high10 Ų1041.9 Ų41.97%0.0722%0.22CC..EExtended strand (participates in β ladder)trans-128.3120.1171.8179.30000110.3S13 W347S13-S345 PolarHBondContact O-N 3.31Å; S345-W347 VanDerWaalsContact C-N 3.29Å
346T89Confident95.2Very high92 Ų9242.2 Ų42.256%0.56422%0.221SC*.  trans-87.91.8178.757.20000113.2K15K15-T346 WeakPolarHBondContact CE-O 3.34Å; K15-T346 PolarHBondContact NZ-O 3.29Å
347W92.2Very high95.3Very high96 Ų9645.4 Ų45.436%0.36424%0.241SC..  trans-60.9136.6-179.4-70.676.1000110.7S345 E351 I352 Y355S345-W347 VanDerWaalsContact C-N 3.29Å; W347-E351 HydrophobicContact CE3-CB 3.47Å; W347-E351 VanDerWaalsContact CE3-CB 3.47Å; W347-E351 HydrophobicContact CE3-CG 4.35Å; W347-E351 HydrophobicContact CZ3-CB 3.85Å; W347-I352 HydrophobicContact CB-CD1 4.25Å; W347-I352 HydrophobicContact CB-CG1 4.12Å; W347-Y355 HydrophobicContact CE3-CE2 4.37Å; W347-Y355 HydrophobicContact CH2-CE2 4.5Å; W347-Y355 WeakPolarHBondContact CH2-OH 3.48Å; W347-Y355 AromaticContact CZ3-CE2 3.93Å; W347-Y355 HydrophobicContact CZ3-CE2 3.93Å; W347-Y355 AromaticContact CZ3-CZ 3.96Å; W347-Y355 WeakPolarHBondContact CZ3-OH 3.38Å
348S96Very high95.3Very high27 Ų2748.4 Ų48.419%0.18926%0.256CS..  trans-79157.2168.867.20000111.1K350 E351 I352S348-K350 PolarHBondContact O-N 3.15Å; S348-E351 VanDerWaalsContact CB-OE2 3.28Å; S348-E351 WeakPolarHBondContact CB-OE2 3.13Å; S348-E351 PolarHBondContact N-OE2 3.03Å; S348-E351 PolarHBondContact O-N 3.45Å; S348-E351 VanDerWaalsContact O-N 3.11Å; S348-E351 VanDerWaalsContact OG-CG 3.29Å; S348-E351 WeakPolarHBondContact OG-CG 3.37Å; S348-E351 PolarHBondContact OG-N 2.84Å; S348-E351 PolarHBondContact OG-OE2 2.92Å; S348-I352 PolarHBondContact O-N 3.12Å; S348-I352 VanDerWaalsContact O-N 3.09Å
349L96.8Very high95.4Very high49 Ų4948.4 Ų48.426%0.25726%0.256SS..Hα-helixtrans-58-36.1174.2-178.358.9000112.1E17 V18 Y21 E351 I352 C353E17-L349 HydrophobicContact CB-CD2 4.47Å; E17-L349 HydrophobicContact CG-CB 3.89Å; V18-L349 HydrophobicContact CG2-CB 4.25Å; Y21-L349 HydrophobicContact CD1-CD1 3.8Å; Y21-L349 HydrophobicContact CD2-CD1 3.89Å; Y21-L349 HydrophobicContact CG-CD1 3.44Å; Y21-L349 VanDerWaalsContact CG-CD1 3.44Å; L349-E351 VanDerWaalsContact C-N 3.33Å; L349-E351 PolarHBondContact O-N 2.84Å; L349-I352 PolarHBondContact O-N 2.69Å; L349-C353 WeakPolarHBondContact O-CB 3.39Å; L349-C353 PolarHBondContact O-N 2.78Å; L349-C353 PolarHBondContact O-SG 3.07Å; L349-C353 VanDerWaalsContact O-SG 3.33Å
350K97.3Very high95.5Very high178 Ų17847.4 Ų47.477%0.77425%0.248SC*.Hα-helixtrans-60.9-41.7176.6-176.7-179.8178-178.30112S348 S354S348-K350 PolarHBondContact O-N 3.15Å; K350-S354 PolarHBondContact O-N 2.82Å
351E97Very high95.6Very high84 Ų8452.8 Ų52.839%0.39327%0.272SS..Hα-helixtrans-69.6-41.7178.5-66.9160.7121.100111.1W347 S348 L349 C353 S354W347-E351 HydrophobicContact CE3-CB 3.47Å; W347-E351 VanDerWaalsContact CE3-CB 3.47Å; W347-E351 HydrophobicContact CE3-CG 4.35Å; W347-E351 HydrophobicContact CZ3-CB 3.85Å; S348-E351 VanDerWaalsContact CB-OE2 3.28Å; S348-E351 WeakPolarHBondContact CB-OE2 3.13Å; S348-E351 PolarHBondContact N-OE2 3.03Å; S348-E351 PolarHBondContact O-N 3.45Å; S348-E351 VanDerWaalsContact O-N 3.11Å; S348-E351 VanDerWaalsContact OG-CG 3.29Å; S348-E351 WeakPolarHBondContact OG-CG 3.37Å; S348-E351 PolarHBondContact OG-N 2.84Å; S348-E351 PolarHBondContact OG-OE2 2.92Å; L349-E351 VanDerWaalsContact C-N 3.33Å; L349-E351 PolarHBondContact O-N 2.84Å; E351-C353 PolarHBondContact O-N 2.89Å; E351-S354 WeakPolarHBondContact O-CB 3.43Å; E351-S354 PolarHBondContact O-N 3.39Å; E351-S354 VanDerWaalsContact O-N 3.14Å; E351-S354 PolarHBondContact O-OG 3.27Å
352I96.4Very high95.8Very high0 Ų052.8 Ų52.80%027%0.271CS..Hα-helixtrans-60.1-47.4174.9-66.5166.1000110.8V18 Y21 L337 W347 S348 L349 S354 Y355 T384V18-I352 HydrophobicContact CB-CD1 4.2Å; V18-I352 HydrophobicContact CG1-CD1 3.4Å; V18-I352 HydrophobicContact CG2-CD1 3.69Å; Y21-I352 HydrophobicContact CE1-CG2 4.3Å; L337-I352 HydrophobicContact CD1-CD1 4.1Å; L337-I352 HydrophobicContact CD1-CG2 4.34Å; L337-I352 HydrophobicContact CD2-CD1 4.5Å; W347-I352 HydrophobicContact CB-CD1 4.25Å; W347-I352 HydrophobicContact CB-CG1 4.12Å; S348-I352 PolarHBondContact O-N 3.12Å; S348-I352 VanDerWaalsContact O-N 3.09Å; L349-I352 PolarHBondContact O-N 2.69Å; I352-S354 PolarHBondContact O-N 3.18Å; I352-S354 VanDerWaalsContact O-N 3.13Å; I352-Y355 WeakPolarHBondContact O-CD2 3.38Å; I352-Y355 PolarHBondContact O-N 3.46Å; I352-T384 HydrophobicContact CG2-CG2 4.45Å
353C96.9Very high96Very high57 Ų5751.7 Ų51.739%0.38527%0.265SS..THydrogen-bonded Turntrans-72.2-3.2179.2-65.90000114L349 E351L349-C353 WeakPolarHBondContact O-CB 3.39Å; L349-C353 PolarHBondContact O-N 2.78Å; L349-C353 PolarHBondContact O-SG 3.07Å; L349-C353 VanDerWaalsContact O-SG 3.33Å; E351-C353 PolarHBondContact O-N 2.89Å
354S97.8Very high96.5Very high67 Ų6755.7 Ų55.747%0.46928%0.284SS..THydrogen-bonded Turntrans-82.3-15.9177.478.20000113.6K350 E351 I352K350-S354 PolarHBondContact O-N 2.82Å; E351-S354 WeakPolarHBondContact O-CB 3.43Å; E351-S354 PolarHBondContact O-N 3.39Å; E351-S354 VanDerWaalsContact O-N 3.14Å; E351-S354 PolarHBondContact O-OG 3.27Å; I352-S354 PolarHBondContact O-N 3.18Å; I352-S354 VanDerWaalsContact O-N 3.13Å
355Y98.4Very high96.9Very high33 Ų3355.2 Ų55.213%0.12928%0.28CS..Hα-helixtrans-73.3-46.4-177.2-71.9-73.5000114.5P333 S335 W347 I352 L358 Q359 E387P333-Y355 HydrophobicContact CB-CD1 4.49Å; P333-Y355 HydrophobicContact CB-CE1 4.32Å; P333-Y355 WeakPolarHBondContact O-CD1 3.47Å; S335-Y355 VanDerWaalsContact CA-CE2 3.49Å; W347-Y355 HydrophobicContact CE3-CE2 4.37Å; W347-Y355 HydrophobicContact CH2-CE2 4.5Å; W347-Y355 WeakPolarHBondContact CH2-OH 3.48Å; W347-Y355 AromaticContact CZ3-CE2 3.93Å; W347-Y355 HydrophobicContact CZ3-CE2 3.93Å; W347-Y355 AromaticContact CZ3-CZ 3.96Å; W347-Y355 WeakPolarHBondContact CZ3-OH 3.38Å; I352-Y355 WeakPolarHBondContact O-CD2 3.38Å; I352-Y355 PolarHBondContact O-N 3.46Å; Y355-L358 WeakPolarHBondContact O-CB 3.22Å; Y355-L358 PolarHBondContact O-N 2.8Å; Y355-Q359 VanDerWaalsContact O-CG 3.29Å; Y355-Q359 WeakPolarHBondContact O-CG 3.19Å; Y355-Q359 PolarHBondContact O-N 3.4Å; Y355-E387 WeakPolarHBondContact CB-OE2 3.01Å
356P98.6Very high97.3Very high13 Ų1354.8 Ų54.88%0.08428%0.277CS..Hα-helixtrans-54.3-43.9-176.4-24.331.9000114.2L358 Q359 R360 E387P356-L358 PolarHBondContact O-N 3.4Å; P356-Q359 PolarHBondContact O-N 3.4Å; P356-R360 WeakPolarHBondContact O-CG 3.31Å; P356-R360 PolarHBondContact O-N 2.68Å; P356-E387 HydrophobicContact CG-CG 3.93Å
357P98.6Very high97.8Very high76 Ų7650.7 Ų50.749%0.49425%0.252SS..Hα-helixtrans-61.3-38.9175.2-24.435000114.1K361P357-K361 WeakPolarHBondContact O-CG 3.41Å; P357-K361 PolarHBondContact O-N 3.05Å
358L98.4Very high98.1Very high66 Ų6651.3 Ų51.335%0.34625%0.254SS..Hα-helixtrans-66.8-45.6175.8173.661.4000110.7T304 P333 Y355 P356 R360 K361 L362T304-L358 HydrophobicContact CG2-CD1 4Å; P333-L358 HydrophobicContact CG-CD2 3.84Å; P333-L358 HydrophobicContact CG-CG 4.46Å; Y355-L358 WeakPolarHBondContact O-CB 3.22Å; Y355-L358 PolarHBondContact O-N 2.8Å; P356-L358 PolarHBondContact O-N 3.4Å; L358-R360 VanDerWaalsContact C-N 3.3Å; L358-R360 PolarHBondContact O-N 3.2Å; L358-K361 WeakPolarHBondContact O-CB 3.37Å; L358-K361 PolarHBondContact O-N 3.1Å; L358-K361 VanDerWaalsContact O-N 3.16Å; L358-L362 HydrophobicContact CD1-CD1 4.31Å; L358-L362 HydrophobicContact CD1-CG 4.37Å; L358-L362 HydrophobicContact CG-CD1 4.11Å; L358-L362 WeakPolarHBondContact O-CG 3.43Å; L358-L362 PolarHBondContact O-N 3.1Å
359Q98.9Very high98.2Very high0 Ų050 Ų500%025%0.245CC..Hα-helixtrans-58.7-42178.2-67.7167.6-5.900111.1A332 P333 Y355 P356 K361 L362 F363 Y378 E387A332-Q359 HydrophobicContact CB-CG 3.91Å; P333-Q359 PolarHBondContact O-NE2 3.09Å; Y355-Q359 VanDerWaalsContact O-CG 3.29Å; Y355-Q359 WeakPolarHBondContact O-CG 3.19Å; Y355-Q359 PolarHBondContact O-N 3.4Å; P356-Q359 PolarHBondContact O-N 3.4Å; Q359-K361 PolarHBondContact O-N 2.74Å; Q359-L362 PolarHBondContact O-N 3.2Å; Q359-F363 VanDerWaalsContact O-CB 3.31Å; Q359-F363 WeakPolarHBondContact O-CB 3.5Å; Q359-F363 PolarHBondContact O-N 3.13Å; Q359-Y378 PolarHBondContact OE1-OH 3.34Å; Q359-E387 PolarHBondContact NE2-OE2 2.92Å; Q359-E387 VanDerWaalsContact NE2-OE2 3.1Å
360R98.8Very high98.3Very high86 Ų8647.7 Ų47.733%0.32523%0.233SC..Hα-helixtrans-62.7-40175.7-69.2-178.8-172.5-1780.2113P356 L358 F363 Q364 W394P356-R360 WeakPolarHBondContact O-CG 3.31Å; P356-R360 PolarHBondContact O-N 2.68Å; L358-R360 VanDerWaalsContact C-N 3.3Å; L358-R360 PolarHBondContact O-N 3.2Å; R360-F363 PolarHBondContact O-N 3.06Å; R360-Q364 WeakPolarHBondContact O-CG 3.41Å; R360-Q364 PolarHBondContact O-N 2.93Å; R360-W394 HydrophobicContact CB-CE3 4.48Å; R360-W394 HydrophobicContact CB-CH2 3.6Å; R360-W394 HydrophobicContact CB-CZ2 3.72Å; R360-W394 HydrophobicContact CB-CZ3 4.02Å; R360-W394 HydrophobicContact CG-CD2 3.77Å; R360-W394 HydrophobicContact CG-CE3 3.74Å; R360-W394 HydrophobicContact CG-CH2 3.77Å; R360-W394 HydrophobicContact CG-CZ2 3.81Å; R360-W394 HydrophobicContact CG-CZ3 3.74Å; R360-W394 WeakPolarHBondContact O-CH2 3.48Å
361K98.7Very high98.3Very high124 Ų12442.5 Ų42.554%0.53921%0.21SC..Hα-helixtrans-64.2-42.1175-70.8177.2-178.2-1780111.9T304 P357 L358 Q359 A365T304-K361 HydrophobicContact CG2-CB 4.05Å; P357-K361 WeakPolarHBondContact O-CG 3.41Å; P357-K361 PolarHBondContact O-N 3.05Å; L358-K361 WeakPolarHBondContact O-CB 3.37Å; L358-K361 PolarHBondContact O-N 3.1Å; L358-K361 VanDerWaalsContact O-N 3.16Å; Q359-K361 PolarHBondContact O-N 2.74Å; K361-A365 PolarHBondContact O-N 2.81Å
362L98.8Very high98.4Very high6 Ų645.2 Ų45.23%0.03122%0.221CC..Hα-helixtrans-64.7-43175-67.8167.6000111.1M250 T304 L330 P333 L358 Q359 Q364 A365 A366M250-L362 WeakPolarHBondContact CE-O 3.28Å; T304-L362 HydrophobicContact CG2-CD2 3.66Å; T304-L362 HydrophobicContact CG2-CG 4.01Å; L330-L362 HydrophobicContact CD1-CB 3.76Å; L330-L362 HydrophobicContact CD1-CD1 4.29Å; L330-L362 HydrophobicContact CD2-CB 4.13Å; P333-L362 HydrophobicContact CG-CD1 3.9Å; L358-L362 HydrophobicContact CD1-CD1 4.31Å; L358-L362 HydrophobicContact CD1-CG 4.37Å; L358-L362 HydrophobicContact CG-CD1 4.11Å; L358-L362 WeakPolarHBondContact O-CG 3.43Å; L358-L362 PolarHBondContact O-N 3.1Å; Q359-L362 PolarHBondContact O-N 3.2Å; L362-Q364 PolarHBondContact O-N 3.09Å; L362-A365 PolarHBondContact O-N 2.88Å; L362-A366 PolarHBondContact O-N 2.74Å
363F98.9Very high98.5Very high0 Ų047.7 Ų47.70%025%0.246CC..Hα-helixtrans-61.8-43.9178.1-154.4-62.3000111.5L330 Q359 R360 A365 A366 V367 L376 Y378 W394 A395 F399 L402 F463L330-F363 HydrophobicContact CD2-CB 3.87Å; L330-F363 HydrophobicContact CD2-CD2 4Å; L330-F363 HydrophobicContact CD2-CG 4.14Å; Q359-F363 VanDerWaalsContact O-CB 3.31Å; Q359-F363 WeakPolarHBondContact O-CB 3.5Å; Q359-F363 PolarHBondContact O-N 3.13Å; R360-F363 PolarHBondContact O-N 3.06Å; F363-A365 VanDerWaalsContact C-N 3.32Å; F363-A365 PolarHBondContact O-N 2.8Å; F363-A366 VanDerWaalsContact O-CB 3.29Å; F363-A366 WeakPolarHBondContact O-CB 3.22Å; F363-A366 PolarHBondContact O-N 3.31Å; F363-A366 VanDerWaalsContact O-N 3.11Å; F363-V367 HydrophobicContact CD1-CG2 3.68Å; F363-V367 HydrophobicContact CE1-CG2 3.68Å; F363-V367 WeakPolarHBondContact O-CG2 3.37Å; F363-V367 PolarHBondContact O-N 3.24Å; F363-L376 HydrophobicContact CD1-CD2 4.08Å; F363-L376 HydrophobicContact CE1-CD2 3.44Å; F363-L376 VanDerWaalsContact CE1-CD2 3.44Å; F363-L376 HydrophobicContact CE2-CD2 4.29Å; F363-L376 HydrophobicContact CZ-CD2 3.56Å; F363-Y378 AromaticContact CD2-CD2 3.83Å; F363-Y378 HydrophobicContact CD2-CD2 3.83Å; F363-Y378 HydrophobicContact CD2-CE2 4.3Å; F363-Y378 HydrophobicContact CD2-CG 4.33Å; F363-Y378 AromaticContact CE2-CD2 3.97Å; F363-Y378 HydrophobicContact CE2-CD2 3.97Å; F363-Y378 AromaticContact CE2-CG 3.99Å; F363-Y378 HydrophobicContact CE2-CG 3.99Å; F363-W394 HydrophobicContact CB-CH2 4.12Å; F363-W394 HydrophobicContact CB-CZ3 3.81Å; F363-W394 HydrophobicContact CD1-CZ3 4.12Å; F363-W394 HydrophobicContact CD2-CZ3 4.36Å; F363-W394 AromaticContact CG-CZ3 3.85Å; F363-W394 HydrophobicContact CG-CZ3 3.85Å; F363-A395 HydrophobicContact CD1-CB 4.41Å; F363-A395 HydrophobicContact CE1-CB 3.72Å; F363-A395 HydrophobicContact CE2-CB 4.1Å; F363-A395 HydrophobicContact CZ-CB 3.54Å; F363-F399 HydrophobicContact CD1-CD2 4.36Å; F363-F399 AromaticContact CD1-CE2 3.86Å; F363-F399 HydrophobicContact CD1-CE2 3.86Å; F363-F399 HydrophobicContact CE1-CD2 4.31Å; F363-F399 HydrophobicContact CE1-CE2 4.26Å; F363-L402 HydrophobicContact CE1-CD1 3.69Å; F363-L402 HydrophobicContact CZ-CD1 4.29Å; F363-F463 HydrophobicContact CE2-CE2 4.1Å; F363-F463 HydrophobicContact CE2-CZ 4.48Å; F363-F463 HydrophobicContact CZ-CD2 4.09Å; F363-F463 AromaticContact CZ-CE2 3.73Å; F363-F463 HydrophobicContact CZ-CE2 3.73Å; F363-F463 HydrophobicContact CZ-CZ 4.03Å
364Q98.8Very high98.6Very high89 Ų8945.1 Ų45.142%0.41623%0.229SC..Hα-helixtrans-55.2-45.9173.4-79.5169.1-6.700112.2R360 L362 R368 W394 F399R360-Q364 WeakPolarHBondContact O-CG 3.41Å; R360-Q364 PolarHBondContact O-N 2.93Å; L362-Q364 PolarHBondContact O-N 3.09Å; Q364-R368 WeakPolarHBondContact O-CG 3.28Å; Q364-R368 PolarHBondContact O-N 3.04Å; Q364-W394 HydrophobicContact CG-CH2 4.2Å; Q364-W394 HydrophobicContact CG-CZ2 4.41Å; Q364-F399 HydrophobicContact CB-CZ 4.32Å; Q364-F399 HydrophobicContact CG-CE1 4.32Å; Q364-F399 HydrophobicContact CG-CZ 3.63Å
365A98.6Very high98.6Very high7 Ų742.7 Ų42.76%0.05821%0.212CC..Hα-helixtrans-65.1-40.9175.600000111.8M250 S303 V307 K361 L362 F363 V367 R368 L369M250-A365 HydrophobicContact CE-CB 3.79Å; S303-A365 WeakPolarHBondContact O-CB 3.43Å; V307-A365 HydrophobicContact CG2-CB 4.16Å; K361-A365 PolarHBondContact O-N 2.81Å; L362-A365 PolarHBondContact O-N 2.88Å; F363-A365 VanDerWaalsContact C-N 3.32Å; F363-A365 PolarHBondContact O-N 2.8Å; A365-V367 PolarHBondContact O-N 3.33Å; A365-R368 PolarHBondContact O-N 2.78Å; A365-L369 WeakPolarHBondContact O-CG 3.34Å; A365-L369 PolarHBondContact O-N 2.64Å
366A98.8Very high98.7Very high0 Ų041.1 Ų41.10%021%0.206CC..Hα-helixtrans-55.3-49.1176.200000112.1M250 V328 L330 L362 F363 R368 L369 L370 L376M250-A366 HydrophobicContact CE-CB 4.41Å; M250-A366 VanDerWaalsContact SD-CA 3.6Å; M250-A366 HydrophobicContact SD-CB 3.41Å; M250-A366 WeakPolarHBondContact SD-CB 3.39Å; V328-A366 HydrophobicContact CG1-CB 3.86Å; L330-A366 HydrophobicContact CD2-CB 4.41Å; L362-A366 PolarHBondContact O-N 2.74Å; F363-A366 VanDerWaalsContact O-CB 3.29Å; F363-A366 WeakPolarHBondContact O-CB 3.22Å; F363-A366 PolarHBondContact O-N 3.31Å; F363-A366 VanDerWaalsContact O-N 3.11Å; A366-R368 VanDerWaalsContact C-N 3.35Å; A366-R368 PolarHBondContact O-N 2.97Å; A366-L369 PolarHBondContact O-N 3.45Å; A366-L370 WeakPolarHBondContact O-CB 3.47Å; A366-L370 PolarHBondContact O-N 3.22Å; A366-L376 HydrophobicContact CB-CD1 3.88Å; A366-L376 HydrophobicContact CB-CD2 4.29Å
367V98.8Very high98.7Very high6 Ų640.5 Ų40.54%0.03620%0.202CC..Hα-helixtrans-66.1-36.5-178.41770000112.3F363 A365 L376 F399 L402 K465F363-V367 HydrophobicContact CD1-CG2 3.68Å; F363-V367 HydrophobicContact CE1-CG2 3.68Å; F363-V367 WeakPolarHBondContact O-CG2 3.37Å; F363-V367 PolarHBondContact O-N 3.24Å; A365-V367 PolarHBondContact O-N 3.33Å; V367-L376 HydrophobicContact CG2-CD2 4.1Å; V367-F399 HydrophobicContact CB-CD1 4.35Å; V367-F399 HydrophobicContact CB-CE1 4.32Å; V367-F399 HydrophobicContact CG1-CB 4.49Å; V367-F399 HydrophobicContact CG1-CD1 3.85Å; V367-F399 HydrophobicContact CG1-CE1 4.25Å; V367-F399 HydrophobicContact CG1-CG 4.15Å; V367-F399 HydrophobicContact CG2-CD1 4.44Å; V367-F399 HydrophobicContact CG2-CD2 4.13Å; V367-F399 HydrophobicContact CG2-CE1 4.48Å; V367-F399 HydrophobicContact CG2-CE2 4.18Å; V367-F399 HydrophobicContact CG2-CG 4.25Å; V367-F399 HydrophobicContact CG2-CZ 4.34Å; V367-L402 HydrophobicContact CG1-CD2 4.49Å; V367-L402 HydrophobicContact CG2-CD1 3.72Å; V367-L402 HydrophobicContact CG2-CD2 4.45Å; V367-L402 HydrophobicContact CG2-CG 4.43Å; V367-K465 PolarHBondContact O-NZ 3.35Å
368R98.3Very high98.7Very high110 Ų11036.9 Ų36.942%0.41518%0.178SC..Hα-helixtrans-68.7-38.1175.9-73.4-176.269.8-171.70.8112.1V307 D309 P322 E323 Q364 A365 A366V307-R368 HydrophobicContact CG1-CB 4.22Å; V307-R368 HydrophobicContact CG2-CB 3.72Å; D309-R368 IonicContact OD1-NH2 3.54Å; D309-R368 PolarHBondContact OD1-NH2 2.92Å; D309-R368 IonicContact OD2-CZ 3.41Å; D309-R368 IonicContact OD2-NH2 2.71Å; D309-R368 PolarHBondContact OD2-NH2 3.47Å; P322-R368 CarbonylContact C-O 3.6Å; P322-R368 VanDerWaalsContact CA-O 3.26Å; P322-R368 WeakPolarHBondContact CA-O 3.35Å; E323-R368 PolarHBondContact N-O 3.21Å; Q364-R368 WeakPolarHBondContact O-CG 3.28Å; Q364-R368 PolarHBondContact O-N 3.04Å; A365-R368 PolarHBondContact O-N 2.78Å; A366-R368 VanDerWaalsContact C-N 3.35Å; A366-R368 PolarHBondContact O-N 2.97Å
369L98.4Very high98.7Very high0 Ų033.8 Ų33.80%016%0.162CC..Hα-helixtrans-76.3-24.1179.6-70.3177.1000113.6L248 A306 V307 F320 E323 S324 F325 A365 A366L248-L369 HydrophobicContact CD2-CB 4.35Å; L248-L369 HydrophobicContact CD2-CD1 3.42Å; L248-L369 VanDerWaalsContact CD2-CD1 3.42Å; L248-L369 HydrophobicContact CD2-CG 4.5Å; A306-L369 HydrophobicContact CB-CD1 3.82Å; V307-L369 HydrophobicContact CB-CD2 4.39Å; V307-L369 HydrophobicContact CG2-CD1 4.35Å; V307-L369 HydrophobicContact CG2-CD2 3.87Å; V307-L369 HydrophobicContact CG2-CG 3.74Å; F320-L369 HydrophobicContact CB-CD2 3.83Å; E323-L369 CarbonylContact C-O 3.55Å; E323-L369 WeakPolarHBondContact CA-O 3.43Å; E323-L369 PolarHBondContact N-O 2.83Å; S324-L369 PolarHBondContact N-O 2.89Å; F325-L369 HydrophobicContact CD2-CB 4.06Å; F325-L369 PolarHBondContact N-O 2.84Å; F325-L369 VanDerWaalsContact N-O 3.11Å; A365-L369 WeakPolarHBondContact O-CG 3.34Å; A365-L369 PolarHBondContact O-N 2.64Å; A366-L369 PolarHBondContact O-N 3.45Å
370L98.8Very high98.7Very high0 Ų033.8 Ų33.80%016%0.162CC..EExtended strand (participates in β ladder)trans-74.4132.2-177.9-172.366.3000112.1V328 A366 V375 L376 K465V328-L370 HydrophobicContact CB-CD1 4.38Å; V328-L370 HydrophobicContact CG2-CB 4.14Å; V328-L370 HydrophobicContact CG2-CD1 3.88Å; A366-L370 WeakPolarHBondContact O-CB 3.47Å; A366-L370 PolarHBondContact O-N 3.22Å; L370-V375 WeakPolarHBondContact CD1-O 3.28Å; L370-L376 HydrophobicContact CD2-CB 3.84Å; L370-K465 HydrophobicContact CB-CD 4.17Å; L370-K465 HydrophobicContact CD2-CB 3.71Å; L370-K465 HydrophobicContact CD2-CD 4.3Å; L370-K465 HydrophobicContact CG-CB 4.28Å; L370-K465 HydrophobicContact CG-CD 4.29Å; L370-K465 WeakPolarHBondContact O-CD 3.48Å; L370-K465 PolarHBondContact O-NZ 3.02Å
371K98.6Very high98.7Very high69 Ų6931.1 Ų31.130%0.316%0.156SC..EExtended strand (participates in β ladder)trans-61.5154.6171.4-75.6173.5-172.6176.70112E323 F325 D326 G374E323-K371 WeakPolarHBondContact O-CG 3.48Å; F325-K371 WeakPolarHBondContact O-CB 3.22Å; F325-K371 WeakPolarHBondContact O-CG 3.3Å; F325-K371 PolarHBondContact O-N 2.89Å; D326-K371 VanDerWaalsContact OD1-CD 3.24Å; D326-K371 WeakPolarHBondContact OD1-CD 3.39Å; D326-K371 WeakPolarHBondContact OD1-CE 3.27Å; D326-K371 IonicContact OD1-NZ 2.76Å; D326-K371 PolarHBondContact OD1-NZ 3.19Å; D326-K371 IonicContact OD2-NZ 3.85Å; D326-K371 PolarHBondContact OD2-NZ 3.4Å; K371-G374 WeakPolarHBondContact O-CA 3.36Å; K371-G374 PolarHBondContact O-N 2.98Å
372K98.4Very high98.7Very high140 Ų14025.3 Ų25.361%0.60913%0.131SC*.EExtended strand (participates in β ladder)trans-61.8139.1161.6-63.8180-174.7177.10109.4G374K372-G374 PolarHBondContact O-N 2.9Å
373G98.4Very high98.6Very high52 Ų5225.1 Ų25.154%0.53613%0.13SC..EExtended strand (participates in β ladder)trans73.9-1.4-167.100000114.5L464 K465G373-L464 WeakPolarHBondContact O-CD1 3.27Å; G373-K465 VanDerWaalsContact CA-O 3.32Å; G373-K465 WeakPolarHBondContact CA-O 3.37Å; G373-K465 PolarHBondContact N-O 3.1Å
374G98.7Very high98.5Very high3 Ų325.1 Ų25.13%0.03113%0.13CC..EExtended strand (participates in β ladder)trans-79.9160.4-178.500000113.4D326 K371 K372 K465D326-G374 WeakPolarHBondContact O-CA 3.44Å; K371-G374 WeakPolarHBondContact O-CA 3.36Å; K371-G374 PolarHBondContact O-N 2.98Å; K372-G374 PolarHBondContact O-N 2.9Å; G374-K465 PolarHBondContact O-N 3.32Å
375V98.9Very high98.5Very high17 Ų1721.2 Ų21.210%0.10311%0.112CC..EExtended strand (participates in β ladder)trans-104.5131.5179.2177.20000111.7L239 D326 R327 V328 L370 V377 K462 F463 L464L239-V375 HydrophobicContact CD1-CG1 4.41Å; D326-V375 PolarHBondContact O-N 3.47Å; R327-V375 CarbonylContact C-O 3.39Å; R327-V375 WeakPolarHBondContact CA-O 3.08Å; R327-V375 HydrophobicContact CB-CB 4.44Å; R327-V375 WeakPolarHBondContact CB-O 3.5Å; R327-V375 HydrophobicContact CG-CB 4.06Å; V328-V375 PolarHBondContact N-O 2.75Å; L370-V375 WeakPolarHBondContact CD1-O 3.28Å; V375-V377 HydrophobicContact CG1-CG2 4.27Å; V375-K462 HydrophobicContact CG1-CD 4.46Å; V375-K462 HydrophobicContact CG1-CG 3.99Å; V375-F463 WeakPolarHBondContact CA-O 3.38Å; V375-L464 HydrophobicContact CG2-CD1 4.4Å
376L98.9Very high98.5Very high0 Ų021.4 Ų21.40%011%0.113CC..EExtended strand (participates in β ladder)trans-109.7127.2167169.861.7000109.6V328 L330 F363 A366 V367 L370 K462 F463V328-L376 HydrophobicContact CB-CD1 4.03Å; V328-L376 HydrophobicContact CG1-CD1 4Å; V328-L376 WeakPolarHBondContact O-CA 3.45Å; V328-L376 WeakPolarHBondContact O-CD1 3.46Å; L330-L376 HydrophobicContact CB-CD1 4.14Å; F363-L376 HydrophobicContact CD1-CD2 4.08Å; F363-L376 HydrophobicContact CE1-CD2 3.44Å; F363-L376 VanDerWaalsContact CE1-CD2 3.44Å; F363-L376 HydrophobicContact CE2-CD2 4.29Å; F363-L376 HydrophobicContact CZ-CD2 3.56Å; A366-L376 HydrophobicContact CB-CD1 3.88Å; A366-L376 HydrophobicContact CB-CD2 4.29Å; V367-L376 HydrophobicContact CG2-CD2 4.1Å; L370-L376 HydrophobicContact CD2-CB 3.84Å; L376-K462 CarbonylContact O-C 3.58Å; L376-F463 HydrophobicContact CB-CB 4.29Å; L376-F463 HydrophobicContact CD2-CD2 4.41Å; L376-F463 HydrophobicContact CG-CD2 4.34Å; L376-F463 PolarHBondContact N-O 2.97Å; L376-F463 PolarHBondContact O-N 3.39Å
377V98.9Very high98.5Very high0 Ų021.4 Ų21.40%011%0.113CC..EExtended strand (participates in β ladder)trans-108.9123.9165.5175.70000109.2V235 V238 L239 V328 L329 L330 V375 I460 A461 K462V235-V377 HydrophobicContact CG1-CG1 4.09Å; V238-V377 HydrophobicContact CG1-CG2 4.12Å; L239-V377 HydrophobicContact CB-CG2 4Å; L239-V377 HydrophobicContact CD1-CB 4Å; L239-V377 HydrophobicContact CD1-CG2 3.65Å; L239-V377 HydrophobicContact CG-CG2 4.46Å; V328-V377 PolarHBondContact O-N 2.79Å; L329-V377 HydrophobicContact CD1-CB 4.24Å; L329-V377 HydrophobicContact CD1-CG1 4.14Å; L330-V377 PolarHBondContact N-O 2.92Å; V375-V377 HydrophobicContact CG1-CG2 4.27Å; V377-I460 HydrophobicContact CG1-CG2 3.81Å; V377-A461 WeakPolarHBondContact CA-O 3.42Å; V377-K462 HydrophobicContact CG2-CB 4.45Å; V377-K462 HydrophobicContact CG2-CG 4.21Å
378Y98.9Very high98.5Very high0 Ų021.1 Ų21.10%011%0.111CC..EExtended strand (participates in β ladder)trans-103129.7171175.6-100.7000109.3L330 A332 Q359 F363 T380 E387 Q391 F459 I460 A461L330-Y378 HydrophobicContact CB-CD2 4.36Å; L330-Y378 HydrophobicContact CD2-CD2 3.85Å; L330-Y378 HydrophobicContact CD2-CE2 4.25Å; L330-Y378 HydrophobicContact CG-CD2 3.89Å; L330-Y378 HydrophobicContact CG-CE2 4.33Å; L330-Y378 WeakPolarHBondContact O-CA 2.91Å; A332-Y378 HydrophobicContact CB-CD2 4.44Å; A332-Y378 HydrophobicContact CB-CE2 3.67Å; Q359-Y378 PolarHBondContact OE1-OH 3.34Å; F363-Y378 AromaticContact CD2-CD2 3.83Å; F363-Y378 HydrophobicContact CD2-CD2 3.83Å; F363-Y378 HydrophobicContact CD2-CE2 4.3Å; F363-Y378 HydrophobicContact CD2-CG 4.33Å; F363-Y378 AromaticContact CE2-CD2 3.97Å; F363-Y378 HydrophobicContact CE2-CD2 3.97Å; F363-Y378 AromaticContact CE2-CG 3.99Å; F363-Y378 HydrophobicContact CE2-CG 3.99Å; Y378-T380 HydrophobicContact CE1-CG2 3.78Å; Y378-T380 HydrophobicContact CE2-CG2 4.43Å; Y378-T380 VanDerWaalsContact OH-CG2 3.3Å; Y378-T380 WeakPolarHBondContact OH-CG2 3.35Å; Y378-E387 WeakPolarHBondContact CE1-O 3.35Å; Y378-E387 PolarHBondContact OH-O 3.44Å; Y378-Q391 HydrophobicContact CE1-CB 4.31Å; Y378-F459 HydrophobicContact CD1-CD1 4.17Å; Y378-F459 HydrophobicContact CD1-CE1 4.03Å; Y378-F459 HydrophobicContact CE1-CD1 4.16Å; Y378-F459 HydrophobicContact CE1-CE1 4.19Å; Y378-I460 WeakPolarHBondContact O-CA 3.38Å; Y378-A461 PolarHBondContact N-O 2.78Å; Y378-A461 PolarHBondContact O-N 2.89Å
379S98.9Very high98.5Very high0 Ų015.9 Ų15.90%09%0.091CC..EExtended strand (participates in β ladder)trans-142.1151.8176.564.60000113.6L330 D331 A332 F459L330-S379 PolarHBondContact O-N 3.35Å; D331-S379 PolarHBondContact OD1-OG 3.14Å; A332-S379 PolarHBondContact N-O 3.26Å; S379-F459 WeakPolarHBondContact CA-O 3.36Å; S379-F459 VanDerWaalsContact CB-O 3.29Å; S379-F459 WeakPolarHBondContact CB-O 3.4Å
380T98.8Very high98.5Very high0 Ų019.4 Ų19.40%011%0.108CC..EExtended strand (participates in β ladder)trans-141.6157.7173.575.90000110.8C334 Y378 N388 F458 F459C334-T380 HydrophobicContact CB-CG2 4.28Å; Y378-T380 HydrophobicContact CE1-CG2 3.78Å; Y378-T380 HydrophobicContact CE2-CG2 4.43Å; Y378-T380 VanDerWaalsContact OH-CG2 3.3Å; Y378-T380 WeakPolarHBondContact OH-CG2 3.35Å; T380-N388 PolarHBondContact OG1-OD1 2.92Å; T380-F458 WeakPolarHBondContact O-CA 3.34Å; T380-F458 VanDerWaalsContact O-CD2 3.28Å; T380-F458 WeakPolarHBondContact O-CD2 3.25Å; T380-F458 VanDerWaalsContact O-CG 3.27Å; T380-F458 WeakPolarHBondContact O-CG 3.36Å; T380-F459 PolarHBondContact N-O 2.76Å; T380-F459 VanDerWaalsContact N-O 3.12Å; T380-F459 PolarHBondContact O-N 3Å
381C98.1Very high98.5Very high31 Ų3119.4 Ų19.421%0.20911%0.108CC..SBendtrans-103.737.417061.80000112.3C334 G336 G338 I456 G457 F458C334-C381 PolarHBondContact SG-N 2.89Å; G336-C381 CarbonylContact C-O 3.56Å; G338-C381 WeakPolarHBondContact CA-O 3.46Å; G338-C381 PolarHBondContact N-O 3.09Å; G338-C381 VanDerWaalsContact N-O 3.15Å; C381-I456 HydrophobicContact CB-CD1 4.43Å; C381-G457 CarbonylContact C-O 3.53Å; C381-F458 HydrophobicContact CB-CD2 3.66Å; C381-F458 HydrophobicContact CB-CE2 3.77Å
382T98.2Very high98.6Very high1 Ų116.1 Ų16.11%0.0069%0.094CC..  trans-123.8167.2177.7-163.40000112.1C334 S335 E387 N388C334-T382 HydrophobicContact CB-CG2 3.97Å; S335-T382 WeakPolarHBondContact OG-CB 3.33Å; S335-T382 PolarHBondContact OG-OG1 3.37Å; T382-E387 HydrophobicContact CG2-CB 3.7Å; T382-E387 HydrophobicContact CG2-CG 4.3Å; T382-N388 PolarHBondContact O-ND2 3.02Å
383V97.4Very high98.6Very high3 Ų310.8 Ų10.82%0.0188%0.076CC..  trans-113.42.9-175.5-59.80000112.7F26 L47 L337 R431F26-V383 HydrophobicContact CE2-CG2 4.34Å; F26-V383 HydrophobicContact CZ-CB 4.15Å; F26-V383 HydrophobicContact CZ-CG2 4.38Å; L47-V383 HydrophobicContact CD1-CG1 4.4Å; L47-V383 HydrophobicContact CD2-CG2 4.36Å; L337-V383 HydrophobicContact CB-CG2 4.16Å; V383-R431 PolarHBondContact O-NH2 3.12Å
384T97.9Very high98.6Very high0 Ų010.4 Ų10.40%06%0.058CC..  trans-76.6140.7-178.358.90000110.8Y21 L22 L337 I352 S386 E387 N388Y21-T384 HydrophobicContact CE1-CG2 4.05Å; L22-T384 HydrophobicContact CD2-CG2 3.89Å; L337-T384 HydrophobicContact CD1-CG2 3.88Å; I352-T384 HydrophobicContact CG2-CG2 4.45Å; T384-S386 VanDerWaalsContact C-N 3.31Å; T384-E387 VanDerWaalsContact OG1-CB 3.26Å; T384-E387 WeakPolarHBondContact OG1-CB 3.44Å; T384-E387 VanDerWaalsContact OG1-CD 3.26Å; T384-E387 VanDerWaalsContact OG1-CG 3.24Å; T384-E387 WeakPolarHBondContact OG1-CG 3.25Å; T384-E387 PolarHBondContact OG1-OE1 3.37Å; T384-N388 WeakPolarHBondContact O-CB 3.23Å; T384-N388 VanDerWaalsContact O-CG 3.3Å; T384-N388 PolarHBondContact O-N 2.85Å; T384-N388 PolarHBondContact O-ND2 3.22Å
385L97.9Very high98.6Very high6 Ų610.3 Ų10.33%0.0316%0.057CC..SBendtrans-67-35.8175.8-163.977.9000111.4V25 E387 N388 E389 E390 M416 A419V25-L385 HydrophobicContact CG1-CB 3.79Å; L385-E387 VanDerWaalsContact C-N 3.28Å; L385-E387 PolarHBondContact O-N 3.43Å; L385-N388 CarbonylContact O-C 3.47Å; L385-N388 PolarHBondContact O-N 3.24Å; L385-N388 VanDerWaalsContact O-N 3.1Å; L385-E389 HydrophobicContact CD1-CB 3.86Å; L385-E389 HydrophobicContact CD1-CG 4.27Å; L385-E389 WeakPolarHBondContact CD1-OE2 3.37Å; L385-E389 PolarHBondContact O-N 3.45Å; L385-E390 HydrophobicContact CD2-CG 4.29Å; L385-E390 HydrophobicContact CG-CG 4.1Å; L385-E390 WeakPolarHBondContact O-CB 3.47Å; L385-E390 PolarHBondContact O-N 3Å; L385-M416 HydrophobicContact CB-CE 4.01Å; L385-M416 HydrophobicContact CD1-CB 4.34Å; L385-M416 HydrophobicContact CD1-CE 3.48Å; L385-M416 VanDerWaalsContact CD1-CE 3.48Å; L385-M416 HydrophobicContact CG-CE 4.29Å; L385-A419 HydrophobicContact CD1-CB 4.46Å; L385-A419 HydrophobicContact CG-CB 4.47Å
386S98.4Very high98.6Very high11 Ų1111.2 Ų11.28%0.0776%0.061CC..THydrogen-bonded Turntrans-67.5-22.7-177.6650000114.9Y21 T384 E390 Q391Y21-S386 WeakPolarHBondContact OH-CB 3.48Å; Y21-S386 PolarHBondContact OH-OG 3.13Å; T384-S386 VanDerWaalsContact C-N 3.31Å; S386-E390 WeakPolarHBondContact CA-OE2 3.25Å; S386-Q391 VanDerWaalsContact O-CG 3.31Å; S386-Q391 WeakPolarHBondContact O-CG 3.47Å; S386-Q391 PolarHBondContact O-OE1 3.23Å
387E98.8Very high98.6Very high0 Ų016 Ų160%09%0.094CC..THydrogen-bonded Turntrans-101.8-4.3175.2-58.8173.7-101.500111.6C334 S335 Y355 P356 Q359 Y378 T382 T384 L385C334-E387 WeakPolarHBondContact CA-OE2 3.31Å; C334-E387 WeakPolarHBondContact CB-OE2 3.49Å; S335-E387 VanDerWaalsContact CB-OE1 3.31Å; S335-E387 WeakPolarHBondContact CB-OE1 3.4Å; S335-E387 PolarHBondContact N-OE2 2.99Å; S335-E387 PolarHBondContact OG-OE1 2.89Å; Y355-E387 WeakPolarHBondContact CB-OE2 3.01Å; P356-E387 HydrophobicContact CG-CG 3.93Å; Q359-E387 PolarHBondContact NE2-OE2 2.92Å; Q359-E387 VanDerWaalsContact NE2-OE2 3.1Å; Y378-E387 WeakPolarHBondContact CE1-O 3.35Å; Y378-E387 PolarHBondContact OH-O 3.44Å; T382-E387 HydrophobicContact CG2-CB 3.7Å; T382-E387 HydrophobicContact CG2-CG 4.3Å; T384-E387 VanDerWaalsContact OG1-CB 3.26Å; T384-E387 WeakPolarHBondContact OG1-CB 3.44Å; T384-E387 VanDerWaalsContact OG1-CD 3.26Å; T384-E387 VanDerWaalsContact OG1-CG 3.24Å; T384-E387 WeakPolarHBondContact OG1-CG 3.25Å; T384-E387 PolarHBondContact OG1-OE1 3.37Å; L385-E387 VanDerWaalsContact C-N 3.28Å; L385-E387 PolarHBondContact O-N 3.43Å
388N98.8Very high98.6Very high0 Ų018.7 Ų18.70%011%0.111CC..THydrogen-bonded Turntrans-123.5-98.3-173.4-68.3-15.4000110.9T380 T382 T384 L385 E390 Q391 V392 F459T380-N388 PolarHBondContact OG1-OD1 2.92Å; T382-N388 PolarHBondContact O-ND2 3.02Å; T384-N388 WeakPolarHBondContact O-CB 3.23Å; T384-N388 VanDerWaalsContact O-CG 3.3Å; T384-N388 PolarHBondContact O-N 2.85Å; T384-N388 PolarHBondContact O-ND2 3.22Å; L385-N388 CarbonylContact O-C 3.47Å; L385-N388 PolarHBondContact O-N 3.24Å; L385-N388 VanDerWaalsContact O-N 3.1Å; N388-E390 VanDerWaalsContact C-N 3.31Å; N388-E390 PolarHBondContact O-N 3.3Å; N388-Q391 WeakPolarHBondContact O-CA 3.14Å; N388-Q391 VanDerWaalsContact O-CB 3.32Å; N388-Q391 WeakPolarHBondContact O-CB 3.23Å; N388-Q391 PolarHBondContact O-N 3.05Å; N388-V392 PolarHBondContact O-N 3.22Å; N388-V392 VanDerWaalsContact O-N 3.14Å; N388-F459 HydrophobicContact CB-CB 4.24Å; N388-F459 HydrophobicContact CB-CD1 3.78Å; N388-F459 HydrophobicContact CB-CD2 3.81Å; N388-F459 HydrophobicContact CB-CE1 4Å; N388-F459 HydrophobicContact CB-CE2 4.02Å; N388-F459 HydrophobicContact CB-CG 3.67Å; N388-F459 HydrophobicContact CB-CZ 4.11Å; N388-F459 VanDerWaalsContact CG-CB 3.48Å; N388-F459 VanDerWaalsContact CG-CG 3.48Å; N388-F459 WeakPolarHBondContact OD1-CB 3.42Å
389E98.8Very high98.5Very high0 Ų020 Ų200%012%0.117CC..Hα-helixtrans-63-34.6-173.3-65.185.2172.100112.7L385 Q391 V392 A393 M416 A419 L421 L426 L429 R431 F459L385-E389 HydrophobicContact CD1-CB 3.86Å; L385-E389 HydrophobicContact CD1-CG 4.27Å; L385-E389 WeakPolarHBondContact CD1-OE2 3.37Å; L385-E389 PolarHBondContact O-N 3.45Å; E389-Q391 VanDerWaalsContact C-N 3.27Å; E389-Q391 PolarHBondContact O-N 3.44Å; E389-V392 PolarHBondContact O-N 3Å; E389-A393 PolarHBondContact O-N 3.39Å; E389-M416 WeakPolarHBondContact OE1-CB 3.43Å; E389-M416 PolarHBondContact OE1-N 3.47Å; E389-A419 HydrophobicContact CB-CB 3.59Å; E389-L421 HydrophobicContact CB-CD1 4.13Å; E389-L426 HydrophobicContact CG-CD2 4.5Å; E389-L429 HydrophobicContact CG-CD1 4Å; E389-R431 WeakPolarHBondContact OE1-CD 3.42Å; E389-R431 IonicContact OE1-CZ 2.77Å; E389-R431 IonicContact OE1-NH1 3.58Å; E389-R431 PolarHBondContact OE1-NH1 3.48Å; E389-R431 IonicContact OE2-NH1 2.78Å; E389-R431 PolarHBondContact OE2-NH1 3.16Å; E389-F459 HydrophobicContact CG-CE2 4.05Å; E389-F459 HydrophobicContact CG-CZ 4.41Å
390E98.8Very high98.5Very high74 Ų7425.7 Ų25.735%0.34615%0.153SC..Hα-helixtrans-66.1-30.1173.7-73.8177.3-15500112.4L385 S386 N388 W394 A419L385-E390 HydrophobicContact CD2-CG 4.29Å; L385-E390 HydrophobicContact CG-CG 4.1Å; L385-E390 WeakPolarHBondContact O-CB 3.47Å; L385-E390 PolarHBondContact O-N 3Å; S386-E390 WeakPolarHBondContact CA-OE2 3.25Å; N388-E390 VanDerWaalsContact C-N 3.31Å; N388-E390 PolarHBondContact O-N 3.3Å; E390-W394 VanDerWaalsContact O-CB 3.25Å; E390-W394 WeakPolarHBondContact O-CB 3.37Å; E390-W394 PolarHBondContact O-N 2.92Å; E390-A419 HydrophobicContact CG-CB 4.13Å
391Q98.9Very high98.5Very high0 Ų027.6 Ų27.60%017%0.166CC..Hα-helixtrans-72.1-36.6175.5-62.7-70.5101.400110.8Y378 S386 N388 E389 A395Y378-Q391 HydrophobicContact CE1-CB 4.31Å; S386-Q391 VanDerWaalsContact O-CG 3.31Å; S386-Q391 WeakPolarHBondContact O-CG 3.47Å; S386-Q391 PolarHBondContact O-OE1 3.23Å; N388-Q391 WeakPolarHBondContact O-CA 3.14Å; N388-Q391 VanDerWaalsContact O-CB 3.32Å; N388-Q391 WeakPolarHBondContact O-CB 3.23Å; N388-Q391 PolarHBondContact O-N 3.05Å; E389-Q391 VanDerWaalsContact C-N 3.27Å; E389-Q391 PolarHBondContact O-N 3.44Å; Q391-A395 VanDerWaalsContact O-CB 3.24Å; Q391-A395 WeakPolarHBondContact O-CB 3.44Å; Q391-A395 PolarHBondContact O-N 2.97Å
392V98.9Very high98.5Very high1 Ų126.6 Ų26.61%0.00616%0.159CC..Hα-helixtrans-64.5-49.4172.5177.60000110.7N388 E389 W394 A395 L396 L404 L421 L429 F459 A461 F463N388-V392 PolarHBondContact O-N 3.22Å; N388-V392 VanDerWaalsContact O-N 3.14Å; E389-V392 PolarHBondContact O-N 3Å; V392-W394 VanDerWaalsContact C-N 3.33Å; V392-W394 PolarHBondContact O-N 3.43Å; V392-A395 PolarHBondContact O-N 2.99Å; V392-A395 VanDerWaalsContact O-N 3.13Å; V392-L396 HydrophobicContact CG1-CD1 4.03Å; V392-L396 HydrophobicContact CG1-CG 4.39Å; V392-L396 WeakPolarHBondContact O-CG 3.47Å; V392-L396 PolarHBondContact O-N 3Å; V392-L404 HydrophobicContact CG1-CD1 4.15Å; V392-L404 HydrophobicContact CG1-CD2 4.35Å; V392-L421 HydrophobicContact CB-CD1 4.26Å; V392-L421 HydrophobicContact CG1-CD1 4.13Å; V392-L421 HydrophobicContact CG1-CD2 4.36Å; V392-L429 HydrophobicContact CG1-CD2 4.25Å; V392-L429 HydrophobicContact CG2-CD2 4.02Å; V392-F459 HydrophobicContact CG2-CE1 3.88Å; V392-F459 HydrophobicContact CG2-CZ 3.71Å; V392-A461 HydrophobicContact CG2-CB 3.71Å; V392-F463 HydrophobicContact CB-CZ 4.36Å; V392-F463 HydrophobicContact CG1-CE1 4.18Å; V392-F463 HydrophobicContact CG1-CZ 3.99Å; V392-F463 HydrophobicContact CG2-CZ 4.11Å
393A98.8Very high98.5Very high28 Ų2828.2 Ų28.223%0.23117%0.171CC..Hα-helixtrans-58.5-45.717800000111.6E389 A395 S397 L421E389-A393 PolarHBondContact O-N 3.39Å; A393-A395 PolarHBondContact O-N 2.69Å; A393-S397 WeakPolarHBondContact O-CB 3.28Å; A393-S397 PolarHBondContact O-N 2.65Å; A393-S397 VanDerWaalsContact O-N 3.1Å; A393-L421 HydrophobicContact CB-CD2 3.88Å; A393-L421 HydrophobicContact CB-CG 4.31Å
394W98.8Very high98.6Very high44 Ų4429.1 Ų29.117%0.16718%0.175CC..Hα-helixtrans-59.8-44.5173.7166.576.8000112.3R360 F363 Q364 E390 V392 S397 T398 F399R360-W394 HydrophobicContact CB-CE3 4.48Å; R360-W394 HydrophobicContact CB-CH2 3.6Å; R360-W394 HydrophobicContact CB-CZ2 3.72Å; R360-W394 HydrophobicContact CB-CZ3 4.02Å; R360-W394 HydrophobicContact CG-CD2 3.77Å; R360-W394 HydrophobicContact CG-CE3 3.74Å; R360-W394 HydrophobicContact CG-CH2 3.77Å; R360-W394 HydrophobicContact CG-CZ2 3.81Å; R360-W394 HydrophobicContact CG-CZ3 3.74Å; R360-W394 WeakPolarHBondContact O-CH2 3.48Å; F363-W394 HydrophobicContact CB-CH2 4.12Å; F363-W394 HydrophobicContact CB-CZ3 3.81Å; F363-W394 HydrophobicContact CD1-CZ3 4.12Å; F363-W394 HydrophobicContact CD2-CZ3 4.36Å; F363-W394 AromaticContact CG-CZ3 3.85Å; F363-W394 HydrophobicContact CG-CZ3 3.85Å; Q364-W394 HydrophobicContact CG-CH2 4.2Å; Q364-W394 HydrophobicContact CG-CZ2 4.41Å; E390-W394 VanDerWaalsContact O-CB 3.25Å; E390-W394 WeakPolarHBondContact O-CB 3.37Å; E390-W394 PolarHBondContact O-N 2.92Å; V392-W394 VanDerWaalsContact C-N 3.33Å; V392-W394 PolarHBondContact O-N 3.43Å; W394-S397 PolarHBondContact O-N 3.42Å; W394-T398 VanDerWaalsContact CD1-OG1 3.32Å; W394-T398 HydrophobicContact CZ2-CG2 4.14Å; W394-T398 PolarHBondContact NE1-OG1 3.28Å; W394-T398 WeakPolarHBondContact O-CB 3.43Å; W394-T398 PolarHBondContact O-N 3.19Å; W394-T398 PolarHBondContact O-OG1 3.1Å; W394-F399 AromaticContact CH2-CE2 3.65Å; W394-F399 HydrophobicContact CH2-CE2 3.65Å; W394-F399 HydrophobicContact CH2-CZ 4.03Å; W394-F399 HydrophobicContact CZ2-CE2 4.2Å; W394-F399 HydrophobicContact CZ2-CZ 4.42Å; W394-F399 AromaticContact CZ3-CE2 3.97Å; W394-F399 HydrophobicContact CZ3-CE2 3.97Å
395A98.8Very high98.6Very high0 Ų031.7 Ų31.70%019%0.187CC..Hα-helixtrans-64.1-45.5-178.600000111.8F363 Q391 V392 A393 S397 T398 F399 F463F363-A395 HydrophobicContact CD1-CB 4.41Å; F363-A395 HydrophobicContact CE1-CB 3.72Å; F363-A395 HydrophobicContact CE2-CB 4.1Å; F363-A395 HydrophobicContact CZ-CB 3.54Å; Q391-A395 VanDerWaalsContact O-CB 3.24Å; Q391-A395 WeakPolarHBondContact O-CB 3.44Å; Q391-A395 PolarHBondContact O-N 2.97Å; V392-A395 PolarHBondContact O-N 2.99Å; V392-A395 VanDerWaalsContact O-N 3.13Å; A393-A395 PolarHBondContact O-N 2.69Å; A395-S397 VanDerWaalsContact C-N 3.3Å; A395-S397 PolarHBondContact O-N 3.43Å; A395-T398 PolarHBondContact O-N 2.67Å; A395-F399 HydrophobicContact CB-CD2 4.34Å; A395-F399 WeakPolarHBondContact O-CD2 3.41Å; A395-F399 PolarHBondContact O-N 2.9Å; A395-F463 HydrophobicContact CB-CE1 4.49Å; A395-F463 HydrophobicContact CB-CZ 4.44Å
396L98.6Very high98.6Very high37 Ų3735.1 Ų35.119%0.19421%0.21CC..Hα-helixtrans-64.1-35.1177.8-66.5175.6000112.3V392 L404 L421 F463V392-L396 HydrophobicContact CG1-CD1 4.03Å; V392-L396 HydrophobicContact CG1-CG 4.39Å; V392-L396 WeakPolarHBondContact O-CG 3.47Å; V392-L396 PolarHBondContact O-N 3Å; L396-L404 HydrophobicContact CD2-CB 4.45Å; L396-L421 HydrophobicContact CD1-CD2 4.27Å; L396-F463 HydrophobicContact CD2-CD1 4.2Å; L396-F463 HydrophobicContact CD2-CE1 3.94Å; L396-F463 HydrophobicContact CG-CE1 4.28Å
397S98.4Very high98.6Very high99 Ų9934.9 Ų34.969%0.69221%0.207SC*.Hα-helixtrans-74.1-36.3174.7175.30000113A393 W394 A395A393-S397 WeakPolarHBondContact O-CB 3.28Å; A393-S397 PolarHBondContact O-N 2.65Å; A393-S397 VanDerWaalsContact O-N 3.1Å; W394-S397 PolarHBondContact O-N 3.42Å; A395-S397 VanDerWaalsContact C-N 3.3Å; A395-S397 PolarHBondContact O-N 3.43Å
398T98.7Very high98.5Very high58 Ų5842.6 Ų42.636%0.35624%0.244SC..Hα-helixtrans-84.5-32.1-173.7-57.10000112.5W394 A395 P400W394-T398 VanDerWaalsContact CD1-OG1 3.32Å; W394-T398 HydrophobicContact CZ2-CG2 4.14Å; W394-T398 PolarHBondContact NE1-OG1 3.28Å; W394-T398 WeakPolarHBondContact O-CB 3.43Å; W394-T398 PolarHBondContact O-N 3.19Å; W394-T398 PolarHBondContact O-OG1 3.1Å; A395-T398 PolarHBondContact O-N 2.67Å; T398-P400 WeakPolarHBondContact O-CD 3.39Å
399F98.6Very high98.5Very high28 Ų2844 Ų4412%0.12325%0.252CS..  trans-12287.5-176.8-51.5-72.1000110.2F363 Q364 V367 W394 A395 C401 L402F363-F399 HydrophobicContact CD1-CD2 4.36Å; F363-F399 AromaticContact CD1-CE2 3.86Å; F363-F399 HydrophobicContact CD1-CE2 3.86Å; F363-F399 HydrophobicContact CE1-CD2 4.31Å; F363-F399 HydrophobicContact CE1-CE2 4.26Å; Q364-F399 HydrophobicContact CB-CZ 4.32Å; Q364-F399 HydrophobicContact CG-CE1 4.32Å; Q364-F399 HydrophobicContact CG-CZ 3.63Å; V367-F399 HydrophobicContact CB-CD1 4.35Å; V367-F399 HydrophobicContact CB-CE1 4.32Å; V367-F399 HydrophobicContact CG1-CB 4.49Å; V367-F399 HydrophobicContact CG1-CD1 3.85Å; V367-F399 HydrophobicContact CG1-CE1 4.25Å; V367-F399 HydrophobicContact CG1-CG 4.15Å; V367-F399 HydrophobicContact CG2-CD1 4.44Å; V367-F399 HydrophobicContact CG2-CD2 4.13Å; V367-F399 HydrophobicContact CG2-CE1 4.48Å; V367-F399 HydrophobicContact CG2-CE2 4.18Å; V367-F399 HydrophobicContact CG2-CG 4.25Å; V367-F399 HydrophobicContact CG2-CZ 4.34Å; W394-F399 AromaticContact CH2-CE2 3.65Å; W394-F399 HydrophobicContact CH2-CE2 3.65Å; W394-F399 HydrophobicContact CH2-CZ 4.03Å; W394-F399 HydrophobicContact CZ2-CE2 4.2Å; W394-F399 HydrophobicContact CZ2-CZ 4.42Å; W394-F399 AromaticContact CZ3-CE2 3.97Å; W394-F399 HydrophobicContact CZ3-CE2 3.97Å; A395-F399 HydrophobicContact CB-CD2 4.34Å; A395-F399 WeakPolarHBondContact O-CD2 3.41Å; A395-F399 PolarHBondContact O-N 2.9Å; F399-C401 PolarHBondContact O-N 3.29Å; F399-L402 HydrophobicContact CB-CB 4.35Å; F399-L402 HydrophobicContact CB-CD1 3.83Å; F399-L402 HydrophobicContact CB-CG 3.79Å; F399-L402 HydrophobicContact CD2-CD1 4.03Å; F399-L402 HydrophobicContact CG-CD1 4.21Å; F399-L402 PolarHBondContact O-N 2.84Å
400P97.8Very high98.4Very high118 Ų11847.1 Ų47.177%0.76627%0.267SS*.THydrogen-bonded Turntrans-60.2-18.3177-24.734.7000114.1T398 L402T398-P400 WeakPolarHBondContact O-CD 3.39Å; P400-L402 PolarHBondContact O-N 2.93Å
401C98.2Very high98.2Very high40 Ų4044.3 Ų44.327%0.2725%0.254SS..THydrogen-bonded Turntrans-77.7-3.5173.961.60000113.7F399 K465 T466F399-C401 PolarHBondContact O-N 3.29Å; C401-K465 HydrophobicContact CB-CG 4.5Å; C401-K465 CarbonylContact O-C 3.53Å; C401-K465 VanDerWaalsContact O-CA 3.27Å; C401-K465 WeakPolarHBondContact O-CA 3.32Å; C401-T466 PolarHBondContact O-N 2.94Å; C401-T466 PolarHBondContact O-OG1 3.19Å
402L98.8Very high98Very high10 Ų1045 Ų455%0.05226%0.261CS..EExtended strand (participates in β ladder)trans-100.7136.4174.8-63.8-177000111F363 V367 F399 P400 F463 L464 K465F363-L402 HydrophobicContact CE1-CD1 3.69Å; F363-L402 HydrophobicContact CZ-CD1 4.29Å; V367-L402 HydrophobicContact CG1-CD2 4.49Å; V367-L402 HydrophobicContact CG2-CD1 3.72Å; V367-L402 HydrophobicContact CG2-CD2 4.45Å; V367-L402 HydrophobicContact CG2-CG 4.43Å; F399-L402 HydrophobicContact CB-CB 4.35Å; F399-L402 HydrophobicContact CB-CD1 3.83Å; F399-L402 HydrophobicContact CB-CG 3.79Å; F399-L402 HydrophobicContact CD2-CD1 4.03Å; F399-L402 HydrophobicContact CG-CD1 4.21Å; F399-L402 PolarHBondContact O-N 2.84Å; P400-L402 PolarHBondContact O-N 2.93Å; L402-F463 HydrophobicContact CB-CD1 4.23Å; L402-F463 HydrophobicContact CD1-CD1 4.37Å; L402-F463 HydrophobicContact CD1-CG 4.48Å; L402-F463 HydrophobicContact CD2-CB 4.31Å; L402-L464 WeakPolarHBondContact CA-O 3.33Å; L402-K465 HydrophobicContact CD2-CB 3.93Å; L402-K465 HydrophobicContact CD2-CG 4.34Å
403S98.5Very high97.9Very high36 Ų3646.9 Ų46.925%0.25227%0.274SS..EExtended strand (participates in β ladder)trans-120.7137.2169.357.90000109.8Q405 F463 L464S403-Q405 PolarHBondContact OG-NE2 2.95Å; S403-F463 CarbonylContact O-C 3.51Å; S403-F463 WeakPolarHBondContact O-CA 3.42Å; S403-L464 PolarHBondContact N-O 3.14Å; S403-L464 PolarHBondContact O-N 2.71Å; S403-L464 PolarHBondContact OG-O 2.9Å
404L98.6Very high97.8Very high21 Ų2150.1 Ų50.111%0.1129%0.285CS..EExtended strand (participates in β ladder)trans-70.7139174.2-161.962.1000109.4V392 L396 Q425 L428 L429 A461 K462 F463V392-L404 HydrophobicContact CG1-CD1 4.15Å; V392-L404 HydrophobicContact CG1-CD2 4.35Å; L396-L404 HydrophobicContact CD2-CB 4.45Å; L404-Q425 HydrophobicContact CD2-CB 4.06Å; L404-Q425 WeakPolarHBondContact CD2-O 3.46Å; L404-L428 HydrophobicContact CB-CD1 4.07Å; L404-L428 HydrophobicContact CD2-CB 3.76Å; L404-L428 HydrophobicContact CD2-CD1 4.13Å; L404-L428 HydrophobicContact CG-CB 3.82Å; L404-L428 HydrophobicContact CG-CD1 4.05Å; L404-L429 HydrophobicContact CD1-CD2 3.88Å; L404-L429 HydrophobicContact CD2-CD2 3.95Å; L404-L429 HydrophobicContact CD2-CG 4.36Å; L404-L429 HydrophobicContact CG-CD2 4.44Å; L404-A461 HydrophobicContact CD1-CB 4.47Å; L404-K462 WeakPolarHBondContact CD1-O 3.37Å; L404-F463 HydrophobicContact CD1-CD1 4.04Å; L404-F463 HydrophobicContact CD1-CE1 3.72Å; L404-F463 HydrophobicContact CD1-CZ 4.01Å
405Q98.7Very high97.8Very high55 Ų5548.5 Ų48.526%0.25728%0.282SS..  trans-124.1150.4-172.6-66.1-63.6-40.500112.1S403 K462 L464S403-Q405 PolarHBondContact OG-NE2 2.95Å; Q405-K462 HydrophobicContact CB-CB 4.45Å; Q405-K462 HydrophobicContact CB-CD 4.19Å; Q405-K462 HydrophobicContact CB-CG 4.08Å; Q405-K462 PolarHBondContact N-O 2.99Å; Q405-L464 HydrophobicContact CG-CB 3.59Å
406P98.4Very high97.7Very high78 Ų7849.7 Ų49.751%0.50629%0.287SS..  trans-64.1154.5170.528.4-34.3000111L428P406-L428 HydrophobicContact CB-CD2 3.95Å
407Q98.6Very high97.7Very high6 Ų650.6 Ų50.63%0.02829%0.292CS..  trans-120.5133.9-172.9-56.2-174.935.700110.1V238 L428 Q430 I460 K462V238-Q407 HydrophobicContact CG1-CB 3.99Å; V238-Q407 HydrophobicContact CG1-CG 3.88Å; V238-Q407 HydrophobicContact CG2-CB 4.07Å; Q407-L428 PolarHBondContact NE2-O 2.9Å; Q407-Q430 HydrophobicContact CB-CG 4.4Å; Q407-I460 PolarHBondContact NE2-O 2.81Å; Q407-I460 VanDerWaalsContact OE1-CG2 3.31Å; Q407-K462 HydrophobicContact CG-CB 3.87Å; Q407-K462 HydrophobicContact CG-CD 4.43Å
408E96.9Very high97.6Very high162 Ų16247 Ų4776%0.75727%0.27SS*.SBendtrans-129.6126176.5-68.5-175.2178.900109.1
409P97.1Very high97.6Very high28 Ų2845.2 Ų45.218%0.18226%0.261CS..SBendcis-71.2152.9-6.631.7-34.5000112.6I102 H237 I411 Q430I102-P409 HydrophobicContact CG1-CG 4.07Å; H237-P409 HydrophobicContact CB-CG 4.48Å; P409-I411 HydrophobicContact CB-CD1 3.89Å; P409-I411 HydrophobicContact CB-CG1 4.19Å; P409-I411 HydrophobicContact CG-CD1 4.27Å; P409-I411 HydrophobicContact CG-CG1 4.21Å; P409-Q430 PolarHBondContact O-NE2 2.84Å; P409-Q430 PolarHBondContact O-OE1 2.93Å
410H96.8Very high97.4Very high66 Ų6646.9 Ų46.931%0.30629%0.287SS..  trans-99.7103.4168.7-158.5113.1000109.8R101 G412 R427 L429R101-H410 PolarHBondContact NH1-O 2.95Å; H410-G412 PolarHBondContact CD2-O 3.31Å; H410-G412 PolarHBondContact NE2-O 3.4Å; H410-R427 PolarHBondContact CE1-O 3.47Å; H410-L429 PolarHBondContact CE1-O 3.13Å
411I96Very high97.5Very high16 Ų1642 Ų428%0.08225%0.254CS..  trans-107-45.6-175.7-52.9-60.9000111.5R101 I102 L230 V234 P409 F432 D452R101-I411 HydrophobicContact CB-CD1 4.26Å; R101-I411 VanDerWaalsContact NH2-CD1 3.31Å; I102-I411 HydrophobicContact CD1-CD1 4.2Å; I102-I411 HydrophobicContact CD1-CG1 4.1Å; I102-I411 HydrophobicContact CG1-CD1 4.45Å; L230-I411 HydrophobicContact CD2-CG2 4.39Å; V234-I411 HydrophobicContact CG2-CB 4.4Å; V234-I411 HydrophobicContact CG2-CG1 3.84Å; P409-I411 HydrophobicContact CB-CD1 3.89Å; P409-I411 HydrophobicContact CB-CG1 4.19Å; P409-I411 HydrophobicContact CG-CD1 4.27Å; P409-I411 HydrophobicContact CG-CG1 4.21Å; I411-F432 HydrophobicContact CB-CE1 4.15Å; I411-F432 HydrophobicContact CB-CZ 4.09Å; I411-F432 HydrophobicContact CG2-CE1 3.9Å; I411-F432 HydrophobicContact CG2-CZ 4.34Å; I411-D452 HydrophobicContact CG2-CB 3.83Å; I411-D452 WeakPolarHBondContact CG2-OD1 3.2Å
412G94.8Very high97.5Very high14 Ų1442 Ų4214%0.14426%0.255CS..SBendtrans-70179.7-178.100000113.2H410H410-G412 PolarHBondContact CD2-O 3.31Å; H410-G412 PolarHBondContact NE2-O 3.4Å
413S95.7Very high97.4Very high41 Ų4145 Ų4529%0.28728%0.275SS..BIsolated β-bridgetrans-79.3168.8168.368.10000111.3Q430 R431 S433S413-Q430 WeakPolarHBondContact O-CA 3.46Å; S413-R431 PolarHBondContact N-O 2.93Å; S413-R431 PolarHBondContact O-N 3.2Å; S413-R431 PolarHBondContact OG-O 3.31Å; S413-S433 PolarHBondContact OG-OG 3.06Å; S413-S433 VanDerWaalsContact OG-OG 3.1Å
414E97.4Very high97.4Very high96 Ų9648.9 Ų48.945%0.44929%0.289SS..PPolyproline II helixtrans-59.2163.6167.7-52.6-179-176.600111.4R427E414-R427 HydrophobicContact CG-CG 4.03Å; E414-R427 VanDerWaalsContact OE1-CG 3.24Å; E414-R427 WeakPolarHBondContact OE1-CG 3.32Å; E414-R427 IonicContact OE1-NE 4Å; E414-R427 WeakPolarHBondContact OE2-CG 3.21Å
415G97.9Very high97.4Very high10 Ų1050.8 Ų50.810%0.10330%0.297CS..PPolyproline II helixtrans-62.4156.3175.300000113.6L426G415-L426 PolarHBondContact N-O 2.86Å
416M97.5Very high97.4Very high24 Ų2448.6 Ų48.612%0.11829%0.287CS..PPolyproline II helixtrans-81141.1179.3-171.6171.171.800112.2V25 F26 V31 L385 E389V25-M416 HydrophobicContact CG1-CE 3.54Å; F26-M416 HydrophobicContact CD1-SD 4.12Å; F26-M416 HydrophobicContact CE1-SD 4.01Å; F26-M416 HydrophobicContact CZ-SD 4.41Å; V31-M416 HydrophobicContact CG2-CG 4.27Å; L385-M416 HydrophobicContact CB-CE 4.01Å; L385-M416 HydrophobicContact CD1-CB 4.34Å; L385-M416 HydrophobicContact CD1-CE 3.48Å; L385-M416 VanDerWaalsContact CD1-CE 3.48Å; L385-M416 HydrophobicContact CG-CE 4.29Å; E389-M416 WeakPolarHBondContact OE1-CB 3.43Å; E389-M416 PolarHBondContact OE1-N 3.47Å
417L97.8Very high97.4Very high57 Ų5751.4 Ų51.430%0.29829%0.288SS..SBendtrans-64.3153.1172.3-68.2166000112.3N28 E30 V31 A34 L426N28-L417 PolarHBondContact ND2-O 2.8Å; E30-L417 HydrophobicContact CB-CB 3.85Å; V31-L417 HydrophobicContact CG2-CB 3.94Å; A34-L417 HydrophobicContact CB-CD1 3.44Å; A34-L417 VanDerWaalsContact CB-CD1 3.44Å; L417-L426 HydrophobicContact CD2-CD1 3.57Å; L417-L426 HydrophobicContact CG-CD1 4.23Å
418G97.1Very high97.4Very high22 Ų2253.4 Ų53.423%0.22730%0.298CS..SBendtrans121.9-7.8174.500000115.5E30E30-G418 VanDerWaalsContact CD-CA 3.46Å; E30-G418 WeakPolarHBondContact OE1-CA 3.33Å; E30-G418 WeakPolarHBondContact OE2-CA 3.38Å; E30-G418 PolarHBondContact OE2-N 2.85Å
419A97.4Very high97.5Very high21 Ų2145.7 Ų45.717%0.17426%0.262CS..SBendtrans-101.24.5179.500000113.5L385 E389 E390 L421L385-A419 HydrophobicContact CD1-CB 4.46Å; L385-A419 HydrophobicContact CG-CB 4.47Å; E389-A419 HydrophobicContact CB-CB 3.59Å; E390-A419 HydrophobicContact CG-CB 4.13Å; A419-L421 VanDerWaalsContact C-N 3.28Å; A419-L421 HydrophobicContact CB-CG 4.4Å; A419-L421 PolarHBondContact O-N 2.72Å
420G96.4Very high97.5Very high63 Ų6344.3 Ų44.365%0.64925%0.254SS*.  trans70.518.4-176.600000115
421L98.1Very high97.6Very high15 Ų1541.5 Ų41.58%0.07924%0.24CC..  trans-78.2146.2172.4-65.4176.7000110.6E389 V392 A393 L396 A419 Q425 L426 L429E389-L421 HydrophobicContact CB-CD1 4.13Å; V392-L421 HydrophobicContact CB-CD1 4.26Å; V392-L421 HydrophobicContact CG1-CD1 4.13Å; V392-L421 HydrophobicContact CG1-CD2 4.36Å; A393-L421 HydrophobicContact CB-CD2 3.88Å; A393-L421 HydrophobicContact CB-CG 4.31Å; L396-L421 HydrophobicContact CD1-CD2 4.27Å; A419-L421 VanDerWaalsContact C-N 3.28Å; A419-L421 HydrophobicContact CB-CG 4.4Å; A419-L421 PolarHBondContact O-N 2.72Å; L421-Q425 HydrophobicContact CB-CB 4.17Å; L421-Q425 HydrophobicContact CD2-CB 4.49Å; L421-L426 HydrophobicContact CB-CD2 3.82Å; L421-L426 HydrophobicContact CB-CG 4.09Å; L421-L426 HydrophobicContact CD1-CD2 3.93Å; L421-L426 HydrophobicContact CG-CD2 4.5Å; L421-L429 HydrophobicContact CD1-CD1 3.81Å
422S98.1Very high97.7Very high41 Ų4140.9 Ų40.929%0.28724%0.237SC..  trans-70.1158.5175.391.20000111.6E424 Q425 L426S422-E424 WeakPolarHBondContact CB-OE2 3.35Å; S422-E424 PolarHBondContact O-N 2.96Å; S422-E424 PolarHBondContact OG-N 3.33Å; S422-E424 PolarHBondContact OG-OE2 2.82Å; S422-Q425 WeakPolarHBondContact O-CB 3.47Å; S422-Q425 PolarHBondContact O-N 3.13Å; S422-Q425 PolarHBondContact OG-N 3.21Å; S422-L426 WeakPolarHBondContact O-CG 3.36Å; S422-L426 PolarHBondContact O-N 3.16Å
423P97.8Very high97.7Very high74 Ų7441 Ų4148%0.48124%0.235SC..Hα-helixtrans-55.1-36.7174.8-26.235.9000113.4L426 R427P423-L426 PolarHBondContact O-N 3.36Å; P423-R427 WeakPolarHBondContact O-CG 3.42Å; P423-R427 PolarHBondContact O-N 3.49Å; P423-R427 VanDerWaalsContact O-N 3.15Å
424E98.1Very high97.4Very high116 Ų11639 Ų3954%0.54222%0.222SC..Hα-helixtrans-65.8-39.6176.1-59.169.9-149.100111.2S422 R427 L428S422-E424 WeakPolarHBondContact CB-OE2 3.35Å; S422-E424 PolarHBondContact O-N 2.96Å; S422-E424 PolarHBondContact OG-N 3.33Å; S422-E424 PolarHBondContact OG-OE2 2.82Å; E424-R427 PolarHBondContact O-N 2.87Å; E424-L428 WeakPolarHBondContact O-CG 3Å
425Q98.5Very high97.2Very high62 Ų6234.9 Ų34.929%0.2920%0.202SC..Hα-helixtrans-67.7-41.8176.2-68.3174.2-37.800111.6L404 L421 S422 R427 L428L404-Q425 HydrophobicContact CD2-CB 4.06Å; L404-Q425 WeakPolarHBondContact CD2-O 3.46Å; L421-Q425 HydrophobicContact CB-CB 4.17Å; L421-Q425 HydrophobicContact CD2-CB 4.49Å; S422-Q425 WeakPolarHBondContact O-CB 3.47Å; S422-Q425 PolarHBondContact O-N 3.13Å; S422-Q425 PolarHBondContact OG-N 3.21Å; Q425-R427 VanDerWaalsContact C-N 3.27Å; Q425-R427 PolarHBondContact O-N 3.29Å; Q425-L428 WeakPolarHBondContact O-CB 3.45Å; Q425-L428 PolarHBondContact O-N 2.78Å
426L98.6Very high96.6Very high9 Ų938.5 Ų38.55%0.04722%0.219CC..Hα-helixtrans-61.3-35.5178-66.1174.9000112.2E389 G415 L417 L421 S422 P423 L428 L429E389-L426 HydrophobicContact CG-CD2 4.5Å; G415-L426 PolarHBondContact N-O 2.86Å; L417-L426 HydrophobicContact CD2-CD1 3.57Å; L417-L426 HydrophobicContact CG-CD1 4.23Å; L421-L426 HydrophobicContact CB-CD2 3.82Å; L421-L426 HydrophobicContact CB-CG 4.09Å; L421-L426 HydrophobicContact CD1-CD2 3.93Å; L421-L426 HydrophobicContact CG-CD2 4.5Å; S422-L426 WeakPolarHBondContact O-CG 3.36Å; S422-L426 PolarHBondContact O-N 3.16Å; P423-L426 PolarHBondContact O-N 3.36Å; L426-L428 VanDerWaalsContact C-N 3.25Å; L426-L428 PolarHBondContact O-N 3.26Å; L426-L429 HydrophobicContact CD2-CD1 4.25Å; L426-L429 WeakPolarHBondContact O-CB 3.39Å; L426-L429 PolarHBondContact O-N 2.96Å; L426-L429 VanDerWaalsContact O-N 3.16Å
427R98.4Very high95.8Very high136 Ų13639.2 Ų39.251%0.51323%0.226SC..Hα-helixtrans-64.7-23.6173.8-78.7171.4-177.7159.85.5114.8H410 E414 P423 E424 Q425 L429H410-R427 PolarHBondContact CE1-O 3.47Å; E414-R427 HydrophobicContact CG-CG 4.03Å; E414-R427 VanDerWaalsContact OE1-CG 3.24Å; E414-R427 WeakPolarHBondContact OE1-CG 3.32Å; E414-R427 IonicContact OE1-NE 4Å; E414-R427 WeakPolarHBondContact OE2-CG 3.21Å; P423-R427 WeakPolarHBondContact O-CG 3.42Å; P423-R427 PolarHBondContact O-N 3.49Å; P423-R427 VanDerWaalsContact O-N 3.15Å; E424-R427 PolarHBondContact O-N 2.87Å; Q425-R427 VanDerWaalsContact C-N 3.27Å; Q425-R427 PolarHBondContact O-N 3.29Å; R427-L429 VanDerWaalsContact C-N 3.3Å
428L98.6Very high94.9Very high48 Ų4838.2 Ų38.225%0.25122%0.218SC..THydrogen-bonded Turntrans-84.4-8.9176.9-59.8174.9000112.4L404 P406 Q407 E424 Q425 L426L404-L428 HydrophobicContact CB-CD1 4.07Å; L404-L428 HydrophobicContact CD2-CB 3.76Å; L404-L428 HydrophobicContact CD2-CD1 4.13Å; L404-L428 HydrophobicContact CG-CB 3.82Å; L404-L428 HydrophobicContact CG-CD1 4.05Å; P406-L428 HydrophobicContact CB-CD2 3.95Å; Q407-L428 PolarHBondContact NE2-O 2.9Å; E424-L428 WeakPolarHBondContact O-CG 3Å; Q425-L428 WeakPolarHBondContact O-CB 3.45Å; Q425-L428 PolarHBondContact O-N 2.78Å; L426-L428 VanDerWaalsContact C-N 3.25Å; L426-L428 PolarHBondContact O-N 3.26Å
429L98.8Very high93.5Very high0 Ų043 Ų430%024%0.235CC..SBendtrans-91.2155.6175.8-56.4179.4000110.6E389 V392 L404 H410 L421 L426 R427 F459 A461E389-L429 HydrophobicContact CG-CD1 4Å; V392-L429 HydrophobicContact CG1-CD2 4.25Å; V392-L429 HydrophobicContact CG2-CD2 4.02Å; L404-L429 HydrophobicContact CD1-CD2 3.88Å; L404-L429 HydrophobicContact CD2-CD2 3.95Å; L404-L429 HydrophobicContact CD2-CG 4.36Å; L404-L429 HydrophobicContact CG-CD2 4.44Å; H410-L429 PolarHBondContact CE1-O 3.13Å; L421-L429 HydrophobicContact CD1-CD1 3.81Å; L426-L429 HydrophobicContact CD2-CD1 4.25Å; L426-L429 WeakPolarHBondContact O-CB 3.39Å; L426-L429 PolarHBondContact O-N 2.96Å; L426-L429 VanDerWaalsContact O-N 3.16Å; R427-L429 VanDerWaalsContact C-N 3.3Å; L429-F459 HydrophobicContact CB-CE2 4.17Å; L429-F459 HydrophobicContact CB-CZ 4.48Å; L429-F459 HydrophobicContact CD1-CE2 3.98Å; L429-F459 HydrophobicContact CD1-CZ 3.92Å; L429-F459 HydrophobicContact CD2-CZ 4.02Å; L429-F459 HydrophobicContact CG-CE2 4.46Å; L429-F459 HydrophobicContact CG-CZ 4.37Å; L429-A461 HydrophobicContact CD2-CB 3.68Å
430Q98.4Very high91.5Very high0 Ų045.2 Ų45.20%024%0.242CC..EExtended strand (participates in β ladder)trans-121114.2168.4-67.2-168.571.500109.5Q407 P409 S413 F432 F459 I460Q407-Q430 HydrophobicContact CB-CG 4.4Å; P409-Q430 PolarHBondContact O-NE2 2.84Å; P409-Q430 PolarHBondContact O-OE1 2.93Å; S413-Q430 WeakPolarHBondContact O-CA 3.46Å; Q430-F432 HydrophobicContact CB-CE2 4.48Å; Q430-F459 CarbonylContact O-C 3.5Å; Q430-F459 WeakPolarHBondContact O-CA 3.34Å; Q430-I460 HydrophobicContact CB-CB 4.19Å; Q430-I460 PolarHBondContact N-O 3.26Å; Q430-I460 PolarHBondContact O-N 2.75Å
431R98.5Very high89.2Confident6 Ų646.3 Ų46.32%0.02324%0.236CC..EExtended strand (participates in β ladder)trans-112129.6172.9-170.3-178.4178.9110.1-0109V383 E389 S413 S433 F458 F459V383-R431 PolarHBondContact O-NH2 3.12Å; E389-R431 WeakPolarHBondContact OE1-CD 3.42Å; E389-R431 IonicContact OE1-CZ 2.77Å; E389-R431 IonicContact OE1-NH1 3.58Å; E389-R431 PolarHBondContact OE1-NH1 3.48Å; E389-R431 IonicContact OE2-NH1 2.78Å; E389-R431 PolarHBondContact OE2-NH1 3.16Å; S413-R431 PolarHBondContact N-O 2.93Å; S413-R431 PolarHBondContact O-N 3.2Å; S413-R431 PolarHBondContact OG-O 3.31Å; R431-S433 WeakPolarHBondContact CG-OG 3.2Å; R431-F458 WeakPolarHBondContact CA-O 3.29Å; R431-F459 HydrophobicContact CB-CD2 4.39Å
432F98.1Very high87Confident4 Ų448.4 Ų48.42%0.01825%0.247CC..EExtended strand (participates in β ladder)trans-95.4110.1173.2-69.4-97.5000107.8P231 V234 I411 Q430 P434 T455 I456 G457 F458 I460P231-F432 HydrophobicContact CB-CD1 4.17Å; P231-F432 HydrophobicContact CB-CD2 3.71Å; P231-F432 HydrophobicContact CB-CE1 4.13Å; P231-F432 HydrophobicContact CB-CE2 3.68Å; P231-F432 HydrophobicContact CB-CG 3.94Å; P231-F432 HydrophobicContact CB-CZ 3.88Å; P231-F432 HydrophobicContact CG-CB 4.24Å; P231-F432 HydrophobicContact CG-CD1 3.57Å; P231-F432 HydrophobicContact CG-CD2 3.96Å; P231-F432 HydrophobicContact CG-CE1 3.78Å; P231-F432 HydrophobicContact CG-CE2 4.17Å; P231-F432 HydrophobicContact CG-CG 3.63Å; P231-F432 HydrophobicContact CG-CZ 4.07Å; V234-F432 HydrophobicContact CG2-CZ 4.33Å; I411-F432 HydrophobicContact CB-CE1 4.15Å; I411-F432 HydrophobicContact CB-CZ 4.09Å; I411-F432 HydrophobicContact CG2-CE1 3.9Å; I411-F432 HydrophobicContact CG2-CZ 4.34Å; Q430-F432 HydrophobicContact CB-CE2 4.48Å; F432-P434 VanDerWaalsContact O-CD 3.31Å; F432-P434 WeakPolarHBondContact O-CD 3.24Å; F432-T455 HydrophobicContact CD1-CG2 4.21Å; F432-T455 WeakPolarHBondContact CD1-OG1 3.46Å; F432-I456 WeakPolarHBondContact CB-O 3.33Å; F432-G457 WeakPolarHBondContact O-CA 3.5Å; F432-F458 HydrophobicContact CB-CB 3.9Å; F432-F458 HydrophobicContact CD2-CB 3.87Å; F432-F458 HydrophobicContact CD2-CD1 4.41Å; F432-F458 HydrophobicContact CG-CB 4.15Å; F432-F458 PolarHBondContact N-O 2.91Å; F432-F458 PolarHBondContact O-N 3.44Å; F432-I460 HydrophobicContact CE2-CD1 3.96Å; F432-I460 HydrophobicContact CE2-CG1 4.46Å
433S94.7Very high85Confident15 Ų1552.1 Ų52.111%0.10527%0.268CS..  trans-119.478.2-167.2-49.80000109.2S413 R431 E435 L436S413-S433 PolarHBondContact OG-OG 3.06Å; S413-S433 VanDerWaalsContact OG-OG 3.1Å; R431-S433 WeakPolarHBondContact CG-OG 3.2Å; S433-E435 VanDerWaalsContact CA-OE2 3.3Å; S433-E435 WeakPolarHBondContact CA-OE2 3.15Å; S433-E435 PolarHBondContact O-N 3.23Å; S433-E435 VanDerWaalsContact O-N 3.09Å; S433-L436 WeakPolarHBondContact O-CB 3.45Å; S433-L436 PolarHBondContact O-N 2.96Å
434P90.3Very high83.3Confident0 Ų054.4 Ų54.40%028%0.281CS..G310 helixtrans-57-28.5-173.522.2-33.1000113.5F432 L436 S437 W438 T455F432-P434 VanDerWaalsContact O-CD 3.31Å; F432-P434 WeakPolarHBondContact O-CD 3.24Å; P434-L436 PolarHBondContact O-N 3.36Å; P434-S437 PolarHBondContact O-N 3.03Å; P434-S437 PolarHBondContact O-OG 3.12Å; P434-W438 PolarHBondContact O-N 2.99Å; P434-W438 VanDerWaalsContact O-N 3.1Å; P434-T455 WeakPolarHBondContact CB-O 3.45Å
435E91.4Very high82Confident9 Ų949.5 Ų49.54%0.04226%0.26CS..G310 helixtrans-61.4-23.3177.971.6-81.9-165.300114.6R43 K46 L47 S433 S437R43-E435 HydrophobicContact CB-CG 4.43Å; K46-E435 HydrophobicContact CB-CB 4.07Å; K46-E435 WeakPolarHBondContact CD-O 3.37Å; L47-E435 HydrophobicContact CB-CB 3.8Å; L47-E435 HydrophobicContact CB-CG 4.23Å; S433-E435 VanDerWaalsContact CA-OE2 3.3Å; S433-E435 WeakPolarHBondContact CA-OE2 3.15Å; S433-E435 PolarHBondContact O-N 3.23Å; S433-E435 VanDerWaalsContact O-N 3.09Å; E435-S437 VanDerWaalsContact C-N 3.35Å
436L86.3Confident81.3Confident87 Ų8750.1 Ų50.146%0.45527%0.272SS..G310 helixtrans-77.3-24-179.9-61.3-176.7000112.8R43 S433 P434R43-L436 HydrophobicContact CG-CD2 4.31Å; S433-L436 WeakPolarHBondContact O-CB 3.45Å; S433-L436 PolarHBondContact O-N 2.96Å; P434-L436 PolarHBondContact O-N 3.36Å
437S81.1Confident80.6Confident39 Ų3950.8 Ų50.827%0.27328%0.275SS..SBendtrans-114.56179.667.50000113.1P434 E435 E439 T453P434-S437 PolarHBondContact O-N 3.03Å; P434-S437 PolarHBondContact O-OG 3.12Å; E435-S437 VanDerWaalsContact C-N 3.35Å; S437-E439 PolarHBondContact O-N 3.36Å; S437-T453 VanDerWaalsContact CB-CB 3.49Å; S437-T453 WeakPolarHBondContact CB-OG1 3.46Å; S437-T453 VanDerWaalsContact OG-C 3.29Å; S437-T453 VanDerWaalsContact OG-CB 3.22Å; S437-T453 WeakPolarHBondContact OG-CB 3.31Å; S437-T453 PolarHBondContact OG-O 3.39Å; S437-T453 PolarHBondContact OG-OG1 3.45Å
438W78.2Confident80Confident35 Ų3545.3 Ų45.313%0.13326%0.259CS..  trans-71.895.1-177.7-172.5-103.4000110.6K46 C50 H53 R340 P434 Q440K46-W438 HydrophobicContact CB-CB 4.49Å; C50-W438 HydrophobicContact CB-CB 4.16Å; C50-W438 HydrophobicContact CB-CD2 3.29Å; C50-W438 HydrophobicContact CB-CE3 3.34Å; C50-W438 HydrophobicContact CB-CG 3.67Å; C50-W438 HydrophobicContact CB-CH2 4.42Å; C50-W438 HydrophobicContact CB-CZ2 4.35Å; C50-W438 HydrophobicContact CB-CZ3 3.95Å; H53-W438 HydrophobicContact CB-CH2 3.31Å; H53-W438 HydrophobicContact CB-CZ2 4.02Å; H53-W438 HydrophobicContact CB-CZ3 4.07Å; H53-W438 AromaticContact CD2-CH2 3.84Å; H53-W438 AromaticContact CD2-CZ2 3.93Å; H53-W438 AromaticContact CG-CH2 3.44Å; H53-W438 VanDerWaalsContact CG-CH2 3.44Å; H53-W438 AromaticContact CG-CZ2 3.64Å; H53-W438 AromaticContact ND1-CH2 3.99Å; H53-W438 AromaticContact ND1-CZ2 3.76Å; R340-W438 VanDerWaalsContact NH2-CZ3 3.32Å; P434-W438 PolarHBondContact O-N 2.99Å; P434-W438 VanDerWaalsContact O-N 3.1Å; W438-Q440 HydrophobicContact CZ2-CG 4.18Å
439E68.2Low79.5Confident122 Ų12250.7 Ų50.757%0.5728%0.276SS*.  trans-125.9115.6166-64.9-173.4179.400106.4S437 T441 D442S437-E439 PolarHBondContact O-N 3.36Å; E439-T441 PolarHBondContact O-N 2.86Å; E439-D442 HydrophobicContact CB-CB 4.15Å
440Q55.4Low78.9Confident69 Ų6953.4 Ų53.432%0.32229%0.286SS..THydrogen-bonded Turntrans-63.6-13.7-166.3-144.9160.620.100113.3S7 H53 W438S7-Q440 PolarHBondContact OG-NE2 2.92Å; H53-Q440 PolarHBondContact NE2-NE2 3.16Å; W438-Q440 HydrophobicContact CZ2-CG 4.18Å
441T47Very low78.5Confident86 Ų8653.5 Ų53.553%0.52829%0.287SS..THydrogen-bonded Turntrans-137.15.3-167.249.40000115.1E5 E439 T443E5-T441 WeakPolarHBondContact OE2-CG2 3.46Å; E439-T441 PolarHBondContact O-N 2.86Å; T441-T443 VanDerWaalsContact C-N 3.35Å; T441-T443 PolarHBondContact O-N 3.01Å
442D51.8Low78.3Confident59 Ų5954.2 Ų54.232%0.31629%0.291SS..  trans-78.686.6177.2-1679.9000111.9E439 T444E439-D442 HydrophobicContact CB-CB 4.15Å; D442-T444 VanDerWaalsContact C-N 3.29Å; D442-T444 VanDerWaalsContact OD1-CB 3.25Å; D442-T444 WeakPolarHBondContact OD1-CB 3.5Å; D442-T444 WeakPolarHBondContact OD1-CG2 3.49Å; D442-T444 PolarHBondContact OD1-N 3.26Å; D442-T444 PolarHBondContact OD1-OG1 2.9Å; D442-T444 PolarHBondContact OD2-OG1 3.47Å
443T57.3Low78Confident118 Ų11856.7 Ų56.772%0.72431%0.307SS*.  trans-84.8-1.2173.453.10000112.8T441 A445T441-T443 VanDerWaalsContact C-N 3.35Å; T441-T443 PolarHBondContact O-N 3.01Å; T443-A445 VanDerWaalsContact C-N 3.33Å
444T61Low77.9Confident122 Ų12256.9 Ų56.975%0.74831%0.307SS*.  trans-75.1-24.8-177.272.80000112.6D442D442-T444 VanDerWaalsContact C-N 3.29Å; D442-T444 VanDerWaalsContact OD1-CB 3.25Å; D442-T444 WeakPolarHBondContact OD1-CB 3.5Å; D442-T444 WeakPolarHBondContact OD1-CG2 3.49Å; D442-T444 PolarHBondContact OD1-N 3.26Å; D442-T444 PolarHBondContact OD1-OG1 2.9Å; D442-T444 PolarHBondContact OD2-OG1 3.47Å
445A71.2Confident78.1Confident13 Ų1357.3 Ų57.311%0.10731%0.309CS..SBendtrans-72.4138.1177.300000112.4T443 R450T443-A445 VanDerWaalsContact C-N 3.33Å; A445-R450 HydrophobicContact CB-CG 3.75Å; A445-R450 PolarHBondContact O-NE 2.57Å
446S83.4Confident78.4Confident76 Ų7657.1 Ų57.153%0.53131%0.309SS..  trans-57.1152.8175.5710000111.8A448 R449 R450S446-A448 PolarHBondContact O-N 2.81Å; S446-R449 PolarHBondContact O-N 2.9Å; S446-R449 VanDerWaalsContact O-N 3.09Å; S446-R449 PolarHBondContact OG-N 3.16Å; S446-R450 PolarHBondContact O-N 2.79Å
447L85.3Confident79Confident22 Ų2253 Ų5312%0.11529%0.287CS..Hα-helixtrans-54-41.2179.2178.259.1000112.2A97 L107 P109 R450 A451A97-L447 HydrophobicContact CB-CD2 4.13Å; L107-L447 HydrophobicContact CB-CD2 4.12Å; L107-L447 HydrophobicContact CB-CG 4.31Å; L107-L447 HydrophobicContact CD1-CG 4.5Å; P109-L447 HydrophobicContact CB-CD1 3.97Å; P109-L447 HydrophobicContact CB-CD2 4.44Å; P109-L447 HydrophobicContact CG-CD2 4.5Å; L447-R450 PolarHBondContact O-N 3.5Å; L447-A451 VanDerWaalsContact O-CB 3.28Å; L447-A451 WeakPolarHBondContact O-CB 3.36Å; L447-A451 PolarHBondContact O-N 2.79Å
448A85.3Confident79.8Confident22 Ų2251.2 Ų51.218%0.18227%0.274CS..Hα-helixtrans-63.6-44.5177.700000112.5P100 S446 R450 A451 D452P100-A448 HydrophobicContact CG-CB 3.81Å; S446-A448 PolarHBondContact O-N 2.81Å; A448-R450 PolarHBondContact O-N 3.38Å; A448-A451 PolarHBondContact O-N 3.24Å; A448-D452 PolarHBondContact O-N 3.45Å
449R87Confident80.8Confident160 Ų16049.6 Ų49.660%0.60427%0.268SS*.Hα-helixtrans-64-42.6178.1-175.8178.7176.5-157.5-3111.3S446 A451 D452 T453S446-R449 PolarHBondContact O-N 2.9Å; S446-R449 VanDerWaalsContact O-N 3.09Å; S446-R449 PolarHBondContact OG-N 3.16Å; R449-A451 VanDerWaalsContact C-N 3.33Å; R449-D452 PolarHBondContact O-N 2.92Å; R449-T453 PolarHBondContact O-N 2.96Å; R449-T453 PolarHBondContact O-OG1 3.01Å
450R87.6Confident82.3Confident58 Ų5843.8 Ų43.822%0.21924%0.241CC..Hα-helixtrans-64.2-39.1174.9-68.5-167.8-69.8134.1-1.6111.7A445 S446 L447 A448 D452 T453 D454A445-R450 HydrophobicContact CB-CG 3.75Å; A445-R450 PolarHBondContact O-NE 2.57Å; S446-R450 PolarHBondContact O-N 2.79Å; L447-R450 PolarHBondContact O-N 3.5Å; A448-R450 PolarHBondContact O-N 3.38Å; R450-D452 VanDerWaalsContact C-N 3.29Å; R450-D452 PolarHBondContact O-N 3.46Å; R450-T453 PolarHBondContact O-N 3.24Å; R450-D454 WeakPolarHBondContact O-CA 3.4Å; R450-D454 WeakPolarHBondContact O-CB 3.42Å; R450-D454 PolarHBondContact O-N 2.93Å
451A90.4Very high84.3Confident1 Ų140.5 Ų40.51%0.00823%0.225CC..Hα-helixtrans-64.7-31.2176.700000113.3S57 L107 L230 L447 A448 R449 T455S57-A451 WeakPolarHBondContact OG-CB 3.32Å; L107-A451 HydrophobicContact CD1-CB 3.6Å; L107-A451 HydrophobicContact CD2-CB 3.77Å; L107-A451 HydrophobicContact CG-CB 4.29Å; L230-A451 WeakPolarHBondContact CD2-O 3.31Å; L447-A451 VanDerWaalsContact O-CB 3.28Å; L447-A451 WeakPolarHBondContact O-CB 3.36Å; L447-A451 PolarHBondContact O-N 2.79Å; A448-A451 PolarHBondContact O-N 3.24Å; R449-A451 VanDerWaalsContact C-N 3.33Å; A451-T455 WeakPolarHBondContact O-CG2 3.33Å
452D93.2Very high86.8Confident21 Ų2138 Ų3811%0.11221%0.207CC..Hα-helixtrans-71.6-37.8175.7-76.3-16.5000112.4H99 R101 I411 A448 R449 R450H99-D452 IonicContact CE1-OD1 3.46Å; H99-D452 IonicContact NE2-OD1 2.93Å; H99-D452 PolarHBondContact NE2-OD1 2.81Å; R101-D452 IonicContact CZ-OD2 2.9Å; R101-D452 IonicContact NE-OD2 3.69Å; R101-D452 IonicContact NH2-OD1 2.69Å; R101-D452 IonicContact NH2-OD2 2.64Å; R101-D452 PolarHBondContact NH2-OD2 3.29Å; I411-D452 HydrophobicContact CG2-CB 3.83Å; I411-D452 WeakPolarHBondContact CG2-OD1 3.2Å; A448-D452 PolarHBondContact O-N 3.45Å; R449-D452 PolarHBondContact O-N 2.92Å; R450-D452 VanDerWaalsContact C-N 3.29Å; R450-D452 PolarHBondContact O-N 3.46Å
453T91.6Very high89.1Confident57 Ų5735.2 Ų35.235%0.3519%0.192SC..Hα-helixtrans-102.9-41.7-169.366.50000114S437 R449 R450 T455S437-T453 VanDerWaalsContact CB-CB 3.49Å; S437-T453 WeakPolarHBondContact CB-OG1 3.46Å; S437-T453 VanDerWaalsContact OG-C 3.29Å; S437-T453 VanDerWaalsContact OG-CB 3.22Å; S437-T453 WeakPolarHBondContact OG-CB 3.31Å; S437-T453 PolarHBondContact OG-O 3.39Å; S437-T453 PolarHBondContact OG-OG1 3.45Å; R449-T453 PolarHBondContact O-N 2.96Å; R449-T453 PolarHBondContact O-OG1 3.01Å; R450-T453 PolarHBondContact O-N 3.24Å; T453-T455 VanDerWaalsContact C-N 3.29Å; T453-T455 PolarHBondContact O-N 3.43Å
454D93.3Very high91Very high19 Ų1932.1 Ų32.110%0.10217%0.171CC..SBendtrans-88.965.5-179-178.237.4000111P55 S56 R340 R450P55-D454 WeakPolarHBondContact CB-O 3.33Å; S56-D454 WeakPolarHBondContact CA-OD2 3.17Å; S56-D454 WeakPolarHBondContact CB-OD2 3.31Å; S56-D454 PolarHBondContact N-OD2 3.23Å; S56-D454 PolarHBondContact OG-OD2 2.93Å; R340-D454 IonicContact CZ-OD1 2.8Å; R340-D454 IonicContact NH1-OD1 3.71Å; R340-D454 PolarHBondContact NH1-OD1 2.6Å; R340-D454 IonicContact NH2-OD1 3.21Å; R340-D454 PolarHBondContact NH2-OD1 3.37Å; R450-D454 WeakPolarHBondContact O-CA 3.4Å; R450-D454 WeakPolarHBondContact O-CB 3.42Å; R450-D454 PolarHBondContact O-N 2.93Å
455T95Very high92.8Very high8 Ų826.9 Ų26.95%0.04914%0.138CC..SBendtrans-112-179.2-175.257.10000112L230 P231 R340 F432 P434 A451 T453L230-T455 HydrophobicContact CD2-CG2 4.48Å; P231-T455 HydrophobicContact CG-CG2 4.35Å; R340-T455 VanDerWaalsContact CD-O 3.31Å; R340-T455 WeakPolarHBondContact CD-O 3.28Å; R340-T455 PolarHBondContact NH1-O 3.04Å; F432-T455 HydrophobicContact CD1-CG2 4.21Å; F432-T455 WeakPolarHBondContact CD1-OG1 3.46Å; P434-T455 WeakPolarHBondContact CB-O 3.45Å; A451-T455 WeakPolarHBondContact O-CG2 3.33Å; T453-T455 VanDerWaalsContact C-N 3.29Å; T453-T455 PolarHBondContact O-N 3.43Å
456I97.3Very high93.9Very high6 Ų631.8 Ų31.83%0.03117%0.167CC..  trans-64.8155.6163.761.4166.2000110.5P55 N229 P231 G338 R340 C381 F432 F458P55-I456 HydrophobicContact CG-CG2 4.36Å; N229-I456 HydrophobicContact CB-CD1 3.87Å; N229-I456 HydrophobicContact CB-CG1 4.19Å; P231-I456 HydrophobicContact CG-CG1 4.05Å; G338-I456 CarbonylContact O-C 3.56Å; G338-I456 WeakPolarHBondContact O-CA 3.32Å; G338-I456 WeakPolarHBondContact O-CB 3.21Å; R340-I456 HydrophobicContact CB-CG2 4.03Å; C381-I456 HydrophobicContact CB-CD1 4.43Å; F432-I456 WeakPolarHBondContact CB-O 3.33Å; I456-F458 HydrophobicContact CD1-CD2 3.67Å; I456-F458 HydrophobicContact CD1-CE2 4.37Å; I456-F458 HydrophobicContact CG1-CB 4.39Å; I456-F458 HydrophobicContact CG1-CD2 4.34Å; I456-F458 PolarHBondContact O-N 3.1Å
457G97.9Very high94.5Very high0 Ų029.6 Ų29.60%015%0.148CC..  trans-63.4124.8164.100000110.5G338 C381 F432G338-G457 PolarHBondContact O-N 2.79Å; C381-G457 CarbonylContact C-O 3.53Å; F432-G457 WeakPolarHBondContact O-CA 3.5Å
458F98.8Very high94.9Very high2 Ų229.9 Ų29.91%0.00915%0.15CC..EExtended strand (participates in β ladder)trans-153.4158.3-174-153.5-92000111.5P231 S232 V235 T380 C381 R431 F432 I456 I460P231-F458 HydrophobicContact CB-CB 3.53Å; P231-F458 HydrophobicContact CB-CD1 3.51Å; P231-F458 HydrophobicContact CB-CD2 3.98Å; P231-F458 HydrophobicContact CB-CE1 4.21Å; P231-F458 HydrophobicContact CB-CG 3.39Å; P231-F458 HydrophobicContact CG-CB 3.98Å; P231-F458 HydrophobicContact CG-CG 4.3Å; S232-F458 WeakPolarHBondContact OG-CE2 3.49Å; V235-F458 HydrophobicContact CG2-CE1 3.53Å; V235-F458 HydrophobicContact CG2-CZ 3.97Å; T380-F458 WeakPolarHBondContact O-CA 3.34Å; T380-F458 VanDerWaalsContact O-CD2 3.28Å; T380-F458 WeakPolarHBondContact O-CD2 3.25Å; T380-F458 VanDerWaalsContact O-CG 3.27Å; T380-F458 WeakPolarHBondContact O-CG 3.36Å; C381-F458 HydrophobicContact CB-CD2 3.66Å; C381-F458 HydrophobicContact CB-CE2 3.77Å; R431-F458 WeakPolarHBondContact CA-O 3.29Å; F432-F458 HydrophobicContact CB-CB 3.9Å; F432-F458 HydrophobicContact CD2-CB 3.87Å; F432-F458 HydrophobicContact CD2-CD1 4.41Å; F432-F458 HydrophobicContact CG-CB 4.15Å; F432-F458 PolarHBondContact N-O 2.91Å; F432-F458 PolarHBondContact O-N 3.44Å; I456-F458 HydrophobicContact CD1-CD2 3.67Å; I456-F458 HydrophobicContact CD1-CE2 4.37Å; I456-F458 HydrophobicContact CG1-CB 4.39Å; I456-F458 HydrophobicContact CG1-CD2 4.34Å; I456-F458 PolarHBondContact O-N 3.1Å; F458-I460 HydrophobicContact CD1-CD1 4.35Å; F458-I460 HydrophobicContact CD1-CG1 3.85Å; F458-I460 HydrophobicContact CE1-CD1 4.31Å; F458-I460 HydrophobicContact CE1-CG1 3.84Å
459F98.9Very high95.5Very high0 Ų030.4 Ų30.40%015%0.148CC..EExtended strand (participates in β ladder)trans-141.4141.1179.8-178.2-101.9000111.7Y378 S379 T380 N388 E389 V392 L429 Q430 R431 A461Y378-F459 HydrophobicContact CD1-CD1 4.17Å; Y378-F459 HydrophobicContact CD1-CE1 4.03Å; Y378-F459 HydrophobicContact CE1-CD1 4.16Å; Y378-F459 HydrophobicContact CE1-CE1 4.19Å; S379-F459 WeakPolarHBondContact CA-O 3.36Å; S379-F459 VanDerWaalsContact CB-O 3.29Å; S379-F459 WeakPolarHBondContact CB-O 3.4Å; T380-F459 PolarHBondContact N-O 2.76Å; T380-F459 VanDerWaalsContact N-O 3.12Å; T380-F459 PolarHBondContact O-N 3Å; N388-F459 HydrophobicContact CB-CB 4.24Å; N388-F459 HydrophobicContact CB-CD1 3.78Å; N388-F459 HydrophobicContact CB-CD2 3.81Å; N388-F459 HydrophobicContact CB-CE1 4Å; N388-F459 HydrophobicContact CB-CE2 4.02Å; N388-F459 HydrophobicContact CB-CG 3.67Å; N388-F459 HydrophobicContact CB-CZ 4.11Å; N388-F459 VanDerWaalsContact CG-CB 3.48Å; N388-F459 VanDerWaalsContact CG-CG 3.48Å; N388-F459 WeakPolarHBondContact OD1-CB 3.42Å; E389-F459 HydrophobicContact CG-CE2 4.05Å; E389-F459 HydrophobicContact CG-CZ 4.41Å; V392-F459 HydrophobicContact CG2-CE1 3.88Å; V392-F459 HydrophobicContact CG2-CZ 3.71Å; L429-F459 HydrophobicContact CB-CE2 4.17Å; L429-F459 HydrophobicContact CB-CZ 4.48Å; L429-F459 HydrophobicContact CD1-CE2 3.98Å; L429-F459 HydrophobicContact CD1-CZ 3.92Å; L429-F459 HydrophobicContact CD2-CZ 4.02Å; L429-F459 HydrophobicContact CG-CE2 4.46Å; L429-F459 HydrophobicContact CG-CZ 4.37Å; Q430-F459 CarbonylContact O-C 3.5Å; Q430-F459 WeakPolarHBondContact O-CA 3.34Å; R431-F459 HydrophobicContact CB-CD2 4.39Å; F459-A461 HydrophobicContact CE1-CB 3.91Å; F459-A461 HydrophobicContact CZ-CB 4.22Å
460I98.9Very high96Very high0 Ų022.8 Ų22.80%012%0.122CC..EExtended strand (participates in β ladder)trans-138.9128.2177.7-43.5176.9000109.7V234 V235 V238 V377 Y378 Q407 Q430 F432 F458V234-I460 HydrophobicContact CB-CD1 4.15Å; V234-I460 HydrophobicContact CG1-CD1 3.71Å; V235-I460 HydrophobicContact CG2-CD1 3.69Å; V235-I460 HydrophobicContact CG2-CG1 3.89Å; V235-I460 HydrophobicContact CG2-CG2 4.43Å; V238-I460 HydrophobicContact CG1-CG2 4.05Å; V377-I460 HydrophobicContact CG1-CG2 3.81Å; Y378-I460 WeakPolarHBondContact O-CA 3.38Å; Q407-I460 PolarHBondContact NE2-O 2.81Å; Q407-I460 VanDerWaalsContact OE1-CG2 3.31Å; Q430-I460 HydrophobicContact CB-CB 4.19Å; Q430-I460 PolarHBondContact N-O 3.26Å; Q430-I460 PolarHBondContact O-N 2.75Å; F432-I460 HydrophobicContact CE2-CD1 3.96Å; F432-I460 HydrophobicContact CE2-CG1 4.46Å; F458-I460 HydrophobicContact CD1-CD1 4.35Å; F458-I460 HydrophobicContact CD1-CG1 3.85Å; F458-I460 HydrophobicContact CE1-CD1 4.31Å; F458-I460 HydrophobicContact CE1-CG1 3.84Å
461A98.9Very high96.5Very high0 Ų020.6 Ų20.60%012%0.115CC..EExtended strand (participates in β ladder)trans-127.4134.5170.300000110V377 Y378 V392 L404 L429 F459 F463V377-A461 WeakPolarHBondContact CA-O 3.42Å; Y378-A461 PolarHBondContact N-O 2.78Å; Y378-A461 PolarHBondContact O-N 2.89Å; V392-A461 HydrophobicContact CG2-CB 3.71Å; L404-A461 HydrophobicContact CD1-CB 4.47Å; L429-A461 HydrophobicContact CD2-CB 3.68Å; F459-A461 HydrophobicContact CE1-CB 3.91Å; F459-A461 HydrophobicContact CZ-CB 4.22Å; A461-F463 HydrophobicContact CB-CE2 3.69Å; A461-F463 HydrophobicContact CB-CZ 4.04Å
462K98.9Very high96.9Very high34 Ų3421.9 Ų21.915%0.14812%0.123CC..EExtended strand (participates in β ladder)trans-115.3131.3179.4-176.3-179178.3166.60110.5V238 V375 L376 V377 L404 Q405 Q407V238-K462 HydrophobicContact CG1-CB 4.11Å; V238-K462 HydrophobicContact CG1-CD 3.98Å; V238-K462 HydrophobicContact CG1-CG 4.41Å; V238-K462 WeakPolarHBondContact O-CE 3.48Å; V238-K462 PolarHBondContact O-NZ 3.28Å; V375-K462 HydrophobicContact CG1-CD 4.46Å; V375-K462 HydrophobicContact CG1-CG 3.99Å; L376-K462 CarbonylContact O-C 3.58Å; V377-K462 HydrophobicContact CG2-CB 4.45Å; V377-K462 HydrophobicContact CG2-CG 4.21Å; L404-K462 WeakPolarHBondContact CD1-O 3.37Å; Q405-K462 HydrophobicContact CB-CB 4.45Å; Q405-K462 HydrophobicContact CB-CD 4.19Å; Q405-K462 HydrophobicContact CB-CG 4.08Å; Q405-K462 PolarHBondContact N-O 2.99Å; Q407-K462 HydrophobicContact CG-CB 3.87Å; Q407-K462 HydrophobicContact CG-CD 4.43Å
463F98.9Very high97.2Very high0 Ų021.9 Ų21.90%012%0.123CC..EExtended strand (participates in β ladder)trans-124.4146.6179.3-55-94.6000110.9F363 V375 L376 V392 A395 L396 L402 S403 L404 A461F363-F463 HydrophobicContact CE2-CE2 4.1Å; F363-F463 HydrophobicContact CE2-CZ 4.48Å; F363-F463 HydrophobicContact CZ-CD2 4.09Å; F363-F463 AromaticContact CZ-CE2 3.73Å; F363-F463 HydrophobicContact CZ-CE2 3.73Å; F363-F463 HydrophobicContact CZ-CZ 4.03Å; V375-F463 WeakPolarHBondContact CA-O 3.38Å; L376-F463 HydrophobicContact CB-CB 4.29Å; L376-F463 HydrophobicContact CD2-CD2 4.41Å; L376-F463 HydrophobicContact CG-CD2 4.34Å; L376-F463 PolarHBondContact N-O 2.97Å; L376-F463 PolarHBondContact O-N 3.39Å; V392-F463 HydrophobicContact CB-CZ 4.36Å; V392-F463 HydrophobicContact CG1-CE1 4.18Å; V392-F463 HydrophobicContact CG1-CZ 3.99Å; V392-F463 HydrophobicContact CG2-CZ 4.11Å; A395-F463 HydrophobicContact CB-CE1 4.49Å; A395-F463 HydrophobicContact CB-CZ 4.44Å; L396-F463 HydrophobicContact CD2-CD1 4.2Å; L396-F463 HydrophobicContact CD2-CE1 3.94Å; L396-F463 HydrophobicContact CG-CE1 4.28Å; L402-F463 HydrophobicContact CB-CD1 4.23Å; L402-F463 HydrophobicContact CD1-CD1 4.37Å; L402-F463 HydrophobicContact CD1-CG 4.48Å; L402-F463 HydrophobicContact CD2-CB 4.31Å; S403-F463 CarbonylContact O-C 3.51Å; S403-F463 WeakPolarHBondContact O-CA 3.42Å; L404-F463 HydrophobicContact CD1-CD1 4.04Å; L404-F463 HydrophobicContact CD1-CE1 3.72Å; L404-F463 HydrophobicContact CD1-CZ 4.01Å; A461-F463 HydrophobicContact CB-CE2 3.69Å; A461-F463 HydrophobicContact CB-CZ 4.04Å
464L98.8Very high97.6Very high53 Ų5319.2 Ų19.228%0.27711%0.106SC..EExtended strand (participates in β ladder)trans-108.8132.6165.2-179.476.1000108.5G373 V375 L402 S403 Q405G373-L464 WeakPolarHBondContact O-CD1 3.27Å; V375-L464 HydrophobicContact CG2-CD1 4.4Å; L402-L464 WeakPolarHBondContact CA-O 3.33Å; S403-L464 PolarHBondContact N-O 3.14Å; S403-L464 PolarHBondContact O-N 2.71Å; S403-L464 PolarHBondContact OG-O 2.9Å; Q405-L464 HydrophobicContact CG-CB 3.59Å
465K98.6Very high98Very high13 Ų1319.3 Ų19.36%0.05711%0.106CC..EExtended strand (participates in β ladder)trans-88.1115.7172-175.5175.3173-1720109.8E323 V367 L370 G373 G374 C401 L402E323-K465 WeakPolarHBondContact OE1-CE 3.19Å; E323-K465 IonicContact OE1-NZ 3.7Å; E323-K465 PolarHBondContact OE1-NZ 3.17Å; V367-K465 PolarHBondContact O-NZ 3.35Å; L370-K465 HydrophobicContact CB-CD 4.17Å; L370-K465 HydrophobicContact CD2-CB 3.71Å; L370-K465 HydrophobicContact CD2-CD 4.3Å; L370-K465 HydrophobicContact CG-CB 4.28Å; L370-K465 HydrophobicContact CG-CD 4.29Å; L370-K465 WeakPolarHBondContact O-CD 3.48Å; L370-K465 PolarHBondContact O-NZ 3.02Å; G373-K465 VanDerWaalsContact CA-O 3.32Å; G373-K465 WeakPolarHBondContact CA-O 3.37Å; G373-K465 PolarHBondContact N-O 3.1Å; G374-K465 PolarHBondContact O-N 3.32Å; C401-K465 HydrophobicContact CB-CG 4.5Å; C401-K465 CarbonylContact O-C 3.53Å; C401-K465 VanDerWaalsContact O-CA 3.27Å; C401-K465 WeakPolarHBondContact O-CA 3.32Å; L402-K465 HydrophobicContact CD2-CB 3.93Å; L402-K465 HydrophobicContact CD2-CG 4.34Å
466T94.4Very high98.2Very high115 Ų11520.3 Ų20.371%0.70611%0.112SC*.  trans-81.10179.259.10000113C401C401-T466 PolarHBondContact O-N 2.94Å; C401-T466 PolarHBondContact O-OG1 3.19Å

Retrieved 466 of 466 residues in 127.7 ms (Link to these results)

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