A0A087XMK5_POEFO Loading...

Mitochondrial ribosome-associated GTPase 1

AlphaFold DB , UniProt , Accession A0A087XMK5, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 228 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
1M57.9Low81.1Confident59 Ų5997.9 Ų97.929%0.29152%0.518SS..  0-34.10-104.6-154.1-68.600111L3 A4 L6 F26 T27M1-L3 PolarHBondContact O-N 3.31Å; M1-L3 VanDerWaalsContact O-N 3.07Å; M1-A4 PolarHBondContact O-N 3.36Å; M1-A4 VanDerWaalsContact O-N 3.15Å; M1-L6 HydrophobicContact CG-CD1 4.38Å; M1-L6 HydrophobicContact CG-CD2 3.89Å; M1-L6 HydrophobicContact SD-CD1 3.47Å; M1-L6 WeakPolarHBondContact SD-CD1 3.48Å; M1-L6 HydrophobicContact SD-CD2 3.57Å; M1-L6 VanDerWaalsContact SD-CD2 3.57Å; M1-L6 HydrophobicContact SD-CG 4.17Å; M1-F26 HydrophobicContact CE-CB 3.58Å; M1-F26 HydrophobicContact CG-CB 4.03Å; M1-F26 HydrophobicContact CG-CD1 4.38Å; M1-F26 HydrophobicContact SD-CB 3.61Å; M1-F26 HydrophobicContact SD-CD1 4.24Å; M1-F26 HydrophobicContact SD-CG 4.23Å; M1-T27 PolarHBondContact N-O 3.47Å
2D67.3Low82Confident94 Ų9496.4 Ų96.450%0.50351%0.509SS..THydrogen-bonded Turntrans-25.5-44.6160.757.4-23000117.7
3L76.7Confident82.9Confident142 Ų14293 Ų9374%0.74349%0.491SS*.THydrogen-bonded Turntrans-103.8-7.8-174.8-59.5177.6000115.3M1M1-L3 PolarHBondContact O-N 3.31Å; M1-L3 VanDerWaalsContact O-N 3.07Å
4A78.7Confident83.7Confident62 Ų6296.2 Ų96.251%0.51250%0.499SS..SBendtrans-97.7135.1-175.600000111.1M1 L6M1-A4 PolarHBondContact O-N 3.36Å; M1-A4 VanDerWaalsContact O-N 3.15Å; A4-L6 PolarHBondContact O-N 3.17Å
5D82.3Confident84.4Confident118 Ų11897.7 Ų97.763%0.63150%0.5SS*.  trans-69.5116169.5-1799.6000110.3S7D5-S7 VanDerWaalsContact C-N 3.33Å; D5-S7 WeakPolarHBondContact OD1-CB 3.45Å; D5-S7 PolarHBondContact OD1-N 2.86Å; D5-S7 PolarHBondContact OD1-OG 2.76Å; D5-S7 PolarHBondContact OD2-OG 3.43Å
6L83.3Confident85Confident75 Ų7594.9 Ų94.939%0.39349%0.486SS..G310 helixtrans-86.6-1.6-177.8-58.4179.8000113.5M1 A4 N8 K9M1-L6 HydrophobicContact CG-CD1 4.38Å; M1-L6 HydrophobicContact CG-CD2 3.89Å; M1-L6 HydrophobicContact SD-CD1 3.47Å; M1-L6 WeakPolarHBondContact SD-CD1 3.48Å; M1-L6 HydrophobicContact SD-CD2 3.57Å; M1-L6 VanDerWaalsContact SD-CD2 3.57Å; M1-L6 HydrophobicContact SD-CG 4.17Å; A4-L6 PolarHBondContact O-N 3.17Å; L6-N8 PolarHBondContact O-N 2.94Å; L6-N8 VanDerWaalsContact O-N 3.14Å; L6-K9 WeakPolarHBondContact O-CB 3.28Å; L6-K9 PolarHBondContact O-N 3.2Å
7S87.4Confident85.6Confident84 Ų8496.8 Ų96.859%0.58749%0.492SS*.G310 helixtrans-53.2-34174.867.90000112.3D5D5-S7 VanDerWaalsContact C-N 3.33Å; D5-S7 WeakPolarHBondContact OD1-CB 3.45Å; D5-S7 PolarHBondContact OD1-N 2.86Å; D5-S7 PolarHBondContact OD1-OG 2.76Å; D5-S7 PolarHBondContact OD2-OG 3.43Å
8N86.1Confident86.2Confident64 Ų6498 Ų9834%0.34250%0.5SS..G310 helixtrans-97.110.7-179.5-67.6-62.6000114.3L6 Q10 K11 I12L6-N8 PolarHBondContact O-N 2.94Å; L6-N8 VanDerWaalsContact O-N 3.14Å; N8-Q10 VanDerWaalsContact C-N 3.3Å; N8-Q10 PolarHBondContact O-N 3.31Å; N8-K11 WeakPolarHBondContact O-CB 3.46Å; N8-K11 PolarHBondContact O-N 3.14Å; N8-K11 WeakPolarHBondContact OD1-CD 3.41Å; N8-K11 PolarHBondContact OD1-NZ 3.02Å; N8-K11 VanDerWaalsContact OD1-NZ 3.1Å; N8-I12 WeakPolarHBondContact O-CG1 3.22Å; N8-I12 PolarHBondContact O-N 2.81Å; N8-I12 VanDerWaalsContact O-N 3.08Å
9K89.6Confident86.6Confident76 Ų7697.8 Ų97.833%0.3350%0.5SS..Hα-helixtrans-53.7-44.2-176.6-177.3179.8179.9-177.50113.4L6 K11 I12 L13 F26L6-K9 WeakPolarHBondContact O-CB 3.28Å; L6-K9 PolarHBondContact O-N 3.2Å; K9-K11 VanDerWaalsContact C-N 3.35Å; K9-K11 PolarHBondContact O-N 3.01Å; K9-I12 PolarHBondContact O-N 3.45Å; K9-L13 HydrophobicContact CG-CD1 4.34Å; K9-L13 PolarHBondContact O-N 3.3Å; K9-F26 HydrophobicContact CD-CE2 4.39Å; K9-F26 HydrophobicContact CD-CZ 4.44Å; K9-F26 HydrophobicContact CG-CE1 4.08Å; K9-F26 HydrophobicContact CG-CE2 4Å; K9-F26 HydrophobicContact CG-CZ 3.7Å
10Q90.5Very high86.9Confident153 Ų15395.7 Ų95.772%0.71550%0.504SS*.Hα-helixtrans-62.2-40.8178.3-75.6-75-4.200112.2N8 L13 K14N8-Q10 VanDerWaalsContact C-N 3.3Å; N8-Q10 PolarHBondContact O-N 3.31Å; Q10-L13 PolarHBondContact O-N 2.79Å; Q10-K14 WeakPolarHBondContact O-CB 3.4Å; Q10-K14 PolarHBondContact O-N 3.01Å
11K92.4Very high87.3Confident150 Ų15094.3 Ų94.365%0.65250%0.499SS*.Hα-helixtrans-65.4-40.8177.9-63.8179.7-173.5162.90111.4N8 K9 K14 K15N8-K11 WeakPolarHBondContact O-CB 3.46Å; N8-K11 PolarHBondContact O-N 3.14Å; N8-K11 WeakPolarHBondContact OD1-CD 3.41Å; N8-K11 PolarHBondContact OD1-NZ 3.02Å; N8-K11 VanDerWaalsContact OD1-NZ 3.1Å; K9-K11 VanDerWaalsContact C-N 3.35Å; K9-K11 PolarHBondContact O-N 3.01Å; K11-K14 PolarHBondContact O-N 3.24Å; K11-K15 WeakPolarHBondContact O-CB 3.2Å; K11-K15 PolarHBondContact O-N 3.01Å
12I92.1Very high88.7Confident80 Ų80101.8 Ų101.841%0.4152%0.524SS..Hα-helixtrans-62.1-48.8176.3-64.3167.7000110.2N8 K9 K14 K15 L16N8-I12 WeakPolarHBondContact O-CG1 3.22Å; N8-I12 PolarHBondContact O-N 2.81Å; N8-I12 VanDerWaalsContact O-N 3.08Å; K9-I12 PolarHBondContact O-N 3.45Å; I12-K14 PolarHBondContact O-N 3.18Å; I12-K15 PolarHBondContact O-N 3.43Å; I12-L16 HydrophobicContact CG2-CD1 3.93Å; I12-L16 HydrophobicContact CG2-CG 4.38Å; I12-L16 WeakPolarHBondContact O-CG 3.47Å; I12-L16 PolarHBondContact O-N 3.45Å
13L93.1Very high89.9Confident52 Ų52101.4 Ų101.427%0.27252%0.522SS..Hα-helixtrans-57.4-48.1178-79.3172.4000111.9K9 Q10 K15 L16 E17 V24 F26K9-L13 HydrophobicContact CG-CD1 4.34Å; K9-L13 PolarHBondContact O-N 3.3Å; Q10-L13 PolarHBondContact O-N 2.79Å; L13-K15 VanDerWaalsContact C-N 3.32Å; L13-K15 PolarHBondContact O-N 3.44Å; L13-L16 PolarHBondContact O-N 3.27Å; L13-E17 WeakPolarHBondContact O-CB 3.38Å; L13-E17 PolarHBondContact O-N 2.72Å; L13-V24 HydrophobicContact CD2-CB 3.79Å; L13-V24 HydrophobicContact CD2-CG1 3.89Å; L13-V24 HydrophobicContact CD2-CG2 4.22Å; L13-F26 HydrophobicContact CD1-CE2 4.23Å; L13-F26 HydrophobicContact CD2-CE2 3.77Å; L13-F26 HydrophobicContact CD2-CZ 4.32Å; L13-F26 HydrophobicContact CG-CE2 3.94Å; L13-F26 HydrophobicContact CG-CZ 4.2Å
14K94Very high90.7Very high138 Ų13896.7 Ų96.760%0.650%0.499SS*.Hα-helixtrans-61.1-39.8178-171.3175.3-175.81770112.4Q10 K11 I12 N18Q10-K14 WeakPolarHBondContact O-CB 3.4Å; Q10-K14 PolarHBondContact O-N 3.01Å; K11-K14 PolarHBondContact O-N 3.24Å; I12-K14 PolarHBondContact O-N 3.18Å; K14-N18 PolarHBondContact O-N 3.45Å; K14-N18 PolarHBondContact O-ND2 2.93Å; K14-N18 PolarHBondContact O-OD1 3Å
15K94.4Very high91.3Very high118 Ų11896.7 Ų96.751%0.51349%0.49SS..Hα-helixtrans-66.3-45.8177.2178.154.8179.3149.60111.5K11 I12 L13 E17 N18 D19K11-K15 WeakPolarHBondContact O-CB 3.2Å; K11-K15 PolarHBondContact O-N 3.01Å; I12-K15 PolarHBondContact O-N 3.43Å; L13-K15 VanDerWaalsContact C-N 3.32Å; L13-K15 PolarHBondContact O-N 3.44Å; K15-E17 VanDerWaalsContact C-N 3.31Å; K15-E17 PolarHBondContact O-N 3.48Å; K15-N18 WeakPolarHBondContact O-CB 3.44Å; K15-N18 PolarHBondContact O-N 3.29Å; K15-D19 VanDerWaalsContact CE-OD2 3.25Å; K15-D19 WeakPolarHBondContact CE-OD2 3.34Å; K15-D19 IonicContact NZ-OD1 3.58Å; K15-D19 PolarHBondContact NZ-OD1 2.93Å; K15-D19 IonicContact NZ-OD2 3.71Å; K15-D19 PolarHBondContact NZ-OD2 3.34Å; K15-D19 VanDerWaalsContact O-CG 3.25Å; K15-D19 PolarHBondContact O-N 3.23Å
16L94.9Very high91.7Very high53 Ų5393.1 Ų93.128%0.27747%0.469SS..Hα-helixtrans-61.2-40.9176.6-73.7175.8000111.9I12 L13 D19 G20 V21 V24I12-L16 HydrophobicContact CG2-CD1 3.93Å; I12-L16 HydrophobicContact CG2-CG 4.38Å; I12-L16 WeakPolarHBondContact O-CG 3.47Å; I12-L16 PolarHBondContact O-N 3.45Å; L13-L16 PolarHBondContact O-N 3.27Å; L16-D19 CarbonylContact O-C 3.59Å; L16-D19 PolarHBondContact O-N 3.21Å; L16-D19 VanDerWaalsContact O-N 3.14Å; L16-G20 PolarHBondContact O-N 2.99Å; L16-V21 CarbonylContact C-O 3.52Å; L16-V21 HydrophobicContact CB-CB 4.11Å; L16-V21 HydrophobicContact CD2-CB 4.44Å; L16-V21 HydrophobicContact CD2-CG2 4.48Å; L16-V21 WeakPolarHBondContact O-CA 3.46Å; L16-V21 WeakPolarHBondContact O-CB 3.25Å; L16-V21 PolarHBondContact O-N 3.39Å; L16-V24 HydrophobicContact CB-CG2 4.29Å; L16-V24 HydrophobicContact CD1-CG1 3.95Å; L16-V24 HydrophobicContact CD1-CG2 3.82Å
17E94.6Very high92.1Very high128 Ų12891.3 Ų91.360%0.59846%0.461SS*.Hα-helixtrans-61.9-44.7175.1-176.7174.6-155.100111.9L13 K15 D19 G20L13-E17 WeakPolarHBondContact O-CB 3.38Å; L13-E17 PolarHBondContact O-N 2.72Å; K15-E17 VanDerWaalsContact C-N 3.31Å; K15-E17 PolarHBondContact O-N 3.48Å; E17-D19 PolarHBondContact O-N 3.4Å; E17-G20 WeakPolarHBondContact O-CA 3.5Å; E17-G20 PolarHBondContact O-N 2.97Å
18N95.6Very high92.2Very high118 Ų11887.9 Ų87.963%0.63144%0.436SS*.Hα-helixtrans-60.9-31.4173.8-69.8-13.6000112.6K14 K15 G20K14-N18 PolarHBondContact O-N 3.45Å; K14-N18 PolarHBondContact O-ND2 2.93Å; K14-N18 PolarHBondContact O-OD1 3Å; K15-N18 WeakPolarHBondContact O-CB 3.44Å; K15-N18 PolarHBondContact O-N 3.29Å; N18-G20 PolarHBondContact O-N 3.27Å
19D94Very high92.4Very high94 Ų9485.7 Ų85.750%0.50343%0.426SS..THydrogen-bonded Turntrans-84.27.1175.9-60.7-19.5000112.2K15 L16 E17K15-D19 VanDerWaalsContact CE-OD2 3.25Å; K15-D19 WeakPolarHBondContact CE-OD2 3.34Å; K15-D19 IonicContact NZ-OD1 3.58Å; K15-D19 PolarHBondContact NZ-OD1 2.93Å; K15-D19 IonicContact NZ-OD2 3.71Å; K15-D19 PolarHBondContact NZ-OD2 3.34Å; K15-D19 VanDerWaalsContact O-CG 3.25Å; K15-D19 PolarHBondContact O-N 3.23Å; L16-D19 CarbonylContact O-C 3.59Å; L16-D19 PolarHBondContact O-N 3.21Å; L16-D19 VanDerWaalsContact O-N 3.14Å; E17-D19 PolarHBondContact O-N 3.4Å
20G94.1Very high92.2Very high55 Ų5587.6 Ų87.657%0.56744%0.439SS*.THydrogen-bonded Turntrans85.75176.300000115.1L16 E17 N18 R22L16-G20 PolarHBondContact O-N 2.99Å; E17-G20 WeakPolarHBondContact O-CA 3.5Å; E17-G20 PolarHBondContact O-N 2.97Å; N18-G20 PolarHBondContact O-N 3.27Å; G20-R22 PolarHBondContact O-N 3Å
21V93.5Very high91.9Very high67 Ų6786.2 Ų86.241%0.40643%0.431SS..  trans-90.4103.3-179.7-175.30000110.2L16 V24L16-V21 CarbonylContact C-O 3.52Å; L16-V21 HydrophobicContact CB-CB 4.11Å; L16-V21 HydrophobicContact CD2-CB 4.44Å; L16-V21 HydrophobicContact CD2-CG2 4.48Å; L16-V21 WeakPolarHBondContact O-CA 3.46Å; L16-V21 WeakPolarHBondContact O-CB 3.25Å; L16-V21 PolarHBondContact O-N 3.39Å; V21-V24 HydrophobicContact CG1-CG2 3.89Å
22R88.5Confident91.1Very high216 Ų21686.1 Ų86.182%0.81543%0.433SS*.  trans-93.6-33.1-175.8-61.2179.7-178.61700.4114.3G20 V24G20-R22 PolarHBondContact O-N 3Å; R22-V24 PolarHBondContact O-N 3.23Å
23N92.1Very high90.4Very high87 Ų8791.6 Ų91.647%0.46545%0.448SS..  trans-98.881.2-171.2-65-64.1000111L43 L47N23-L43 HydrophobicContact CB-CD2 4.33Å; N23-L47 HydrophobicContact CB-CD1 4.24Å; N23-L47 VanDerWaalsContact ND2-CD2 3.28Å; N23-L47 WeakPolarHBondContact ND2-CD2 3.31Å
24V93.2Very high90.1Very high43 Ų4390 Ų9026%0.26144%0.44SS..  trans-108.3122.7-176.1-172.50000111.1L13 L16 V21 R22 F26L13-V24 HydrophobicContact CD2-CB 3.79Å; L13-V24 HydrophobicContact CD2-CG1 3.89Å; L13-V24 HydrophobicContact CD2-CG2 4.22Å; L16-V24 HydrophobicContact CB-CG2 4.29Å; L16-V24 HydrophobicContact CD1-CG1 3.95Å; L16-V24 HydrophobicContact CD1-CG2 3.82Å; V21-V24 HydrophobicContact CG1-CG2 3.89Å; R22-V24 PolarHBondContact O-N 3.23Å; V24-F26 HydrophobicContact CG1-CD2 4.39Å; V24-F26 HydrophobicContact CG1-CE2 3.92Å; V24-F26 HydrophobicContact CG1-CZ 4.4Å
25L92.1Very high89.7Confident62 Ų6288.1 Ų88.133%0.32544%0.436SS..  trans-117131.1172.5-66.6178.1000110T27 K39 L40 L43L25-T27 HydrophobicContact CB-CG2 4.42Å; L25-K39 HydrophobicContact CD1-CB 4.32Å; L25-L40 HydrophobicContact CD1-CB 4.41Å; L25-L43 HydrophobicContact CD1-CD2 3.72Å; L25-L43 HydrophobicContact CD2-CD2 4.5Å; L25-L43 HydrophobicContact CG-CD2 3.98Å
26F91.1Very high89.6Confident42 Ų4284.3 Ų84.318%0.18442%0.422CS..  trans-94.6118.3171.6-68.4-99.9000109M1 K9 L13 V24 N36M1-F26 HydrophobicContact CE-CB 3.58Å; M1-F26 HydrophobicContact CG-CB 4.03Å; M1-F26 HydrophobicContact CG-CD1 4.38Å; M1-F26 HydrophobicContact SD-CB 3.61Å; M1-F26 HydrophobicContact SD-CD1 4.24Å; M1-F26 HydrophobicContact SD-CG 4.23Å; K9-F26 HydrophobicContact CD-CE2 4.39Å; K9-F26 HydrophobicContact CD-CZ 4.44Å; K9-F26 HydrophobicContact CG-CE1 4.08Å; K9-F26 HydrophobicContact CG-CE2 4Å; K9-F26 HydrophobicContact CG-CZ 3.7Å; L13-F26 HydrophobicContact CD1-CE2 4.23Å; L13-F26 HydrophobicContact CD2-CE2 3.77Å; L13-F26 HydrophobicContact CD2-CZ 4.32Å; L13-F26 HydrophobicContact CG-CE2 3.94Å; L13-F26 HydrophobicContact CG-CZ 4.2Å; V24-F26 HydrophobicContact CG1-CD2 4.39Å; V24-F26 HydrophobicContact CG1-CE2 3.92Å; V24-F26 HydrophobicContact CG1-CZ 4.4Å; F26-N36 WeakPolarHBondContact O-CB 3.24Å; F26-N36 PolarHBondContact O-ND2 3.41Å
27T90.9Very high89.4Confident38 Ų3881.9 Ų81.923%0.23341%0.409CS..  trans-122.4164.3-176.360.80000112.4M1 L25 D34 N36 V37M1-T27 PolarHBondContact N-O 3.47Å; L25-T27 HydrophobicContact CB-CG2 4.42Å; T27-D34 WeakPolarHBondContact CA-OD2 3.47Å; T27-D34 WeakPolarHBondContact CB-OD2 3.48Å; T27-N36 HydrophobicContact CG2-CB 3.99Å; T27-V37 HydrophobicContact CG2-CG2 3.91Å
28D90.5Very high89.1Confident11 Ų1178.6 Ų78.66%0.05939%0.393CS..  trans-13196.1167.9-177-24.5000107.3L30 K31 D34D28-L30 PolarHBondContact O-N 3.45Å; D28-L30 PolarHBondContact OD1-N 3.36Å; D28-L30 VanDerWaalsContact OD1-N 3.15Å; D28-K31 HydrophobicContact CB-CD 4.02Å; D28-K31 HydrophobicContact CB-CG 4.28Å; D28-K31 PolarHBondContact OD1-N 2.95Å; D28-K31 WeakPolarHBondContact OD2-CD 3.39Å; D28-K31 WeakPolarHBondContact OD2-CE 3.28Å; D28-K31 WeakPolarHBondContact OD2-CG 3.27Å; D28-K31 IonicContact OD2-NZ 2.72Å; D28-D34 PolarHBondContact N-OD2 2.89Å; D28-D34 WeakPolarHBondContact O-CB 3.49Å
29C89.3Confident88.9Confident19 Ų1978.1 Ų78.113%0.12839%0.385CS..SBendtrans-78.5-7.4-174-61.10000113.1L77 A80 R83C29-L77 VanDerWaalsContact SG-CA 3.59Å; C29-L77 VanDerWaalsContact SG-CD1 3.59Å; C29-A80 HydrophobicContact CB-CB 4.02Å; C29-R83 PolarHBondContact O-NH2 2.98Å; C29-R83 VanDerWaalsContact O-NH2 3.12Å
30L85.6Confident88.9Confident116 Ų11675.2 Ų75.261%0.60737%0.369SS*.SBendtrans-85.6-33.9177.9-63.6-179.1000111D28 Q32D28-L30 PolarHBondContact O-N 3.45Å; D28-L30 PolarHBondContact OD1-N 3.36Å; D28-L30 VanDerWaalsContact OD1-N 3.15Å; L30-Q32 PolarHBondContact O-N 3.17Å
31K84.6Confident88.7Confident124 Ų12473.1 Ų73.154%0.53935%0.346SS..SBendtrans-55.2137.4171.4-75.9179.1-177.8174.70111.3D28 R33D28-K31 HydrophobicContact CB-CD 4.02Å; D28-K31 HydrophobicContact CB-CG 4.28Å; D28-K31 PolarHBondContact OD1-N 2.95Å; D28-K31 WeakPolarHBondContact OD2-CD 3.39Å; D28-K31 WeakPolarHBondContact OD2-CE 3.28Å; D28-K31 WeakPolarHBondContact OD2-CG 3.27Å; D28-K31 IonicContact OD2-NZ 2.72Å; K31-R33 PolarHBondContact O-N 2.77Å
32Q75.5Confident88.6Confident148 Ų14873.9 Ų73.969%0.69235%0.352SS*.SBendtrans-62.3-30.9177.4-70.9-68.70.200112L30 R83L30-Q32 PolarHBondContact O-N 3.17Å; Q32-R83 VanDerWaalsContact OE1-NH1 3.1Å
33R77.9Confident88.8Confident195 Ų19565.9 Ų65.974%0.73633%0.325SS*.  trans-140.3104.4178.6-159.3176.2-167.8-158-3.3109.2K31 K38K31-R33 PolarHBondContact O-N 2.77Å; R33-K38 VanDerWaalsContact NE-NZ 3.14Å
34D84.8Confident88.8Confident19 Ų1963 Ų6310%0.10231%0.311CS..  trans-111.2123.4168.7178.62.9000108.8T27 D28 N36 V37 K38T27-D34 WeakPolarHBondContact CA-OD2 3.47Å; T27-D34 WeakPolarHBondContact CB-OD2 3.48Å; D28-D34 PolarHBondContact N-OD2 2.89Å; D28-D34 WeakPolarHBondContact O-CB 3.49Å; D34-N36 VanDerWaalsContact C-N 3.25Å; D34-N36 PolarHBondContact O-N 2.91Å; D34-N36 PolarHBondContact OD1-N 2.91Å; D34-V37 HydrophobicContact CB-CB 4.27Å; D34-V37 HydrophobicContact CB-CG2 3.86Å; D34-V37 PolarHBondContact O-N 3.39Å; D34-K38 PolarHBondContact O-N 3.43Å
35D87.7Confident88.6Confident98 Ų9862 Ų6252%0.52430%0.303SS..Hα-helixtrans-67.8-25.7179.8-68.6-32.7000112.6K38 K39D35-K38 WeakPolarHBondContact O-CB 3.45Å; D35-K38 PolarHBondContact O-N 3.08Å; D35-K38 IonicContact OD1-NZ 3.27Å; D35-K38 PolarHBondContact OD1-NZ 3Å; D35-K39 WeakPolarHBondContact O-CG 3.2Å
36N90.6Very high88.5Confident38 Ų3864 Ų6420%0.20331%0.311CS..Hα-helixtrans-75.2-30.3176-67.1-37.5000112.3F26 T27 D34 K38 K39F26-N36 WeakPolarHBondContact O-CB 3.24Å; F26-N36 PolarHBondContact O-ND2 3.41Å; T27-N36 HydrophobicContact CG2-CB 3.99Å; D34-N36 VanDerWaalsContact C-N 3.25Å; D34-N36 PolarHBondContact O-N 2.91Å; D34-N36 PolarHBondContact OD1-N 2.91Å; N36-K38 VanDerWaalsContact C-N 3.29Å; N36-K38 PolarHBondContact O-N 3.32Å; N36-K39 WeakPolarHBondContact O-CB 3.48Å; N36-K39 PolarHBondContact O-N 3.39Å; N36-K39 PolarHBondContact OD1-NZ 3.04Å
37V90.6Very high88.4Confident1 Ų165.4 Ų65.41%0.00632%0.32CS..Hα-helixtrans-63.5-38.1172.61730000110.7T27 D34 K39 L40 A80 L81T27-V37 HydrophobicContact CG2-CG2 3.91Å; D34-V37 HydrophobicContact CB-CB 4.27Å; D34-V37 HydrophobicContact CB-CG2 3.86Å; D34-V37 PolarHBondContact O-N 3.39Å; V37-K39 PolarHBondContact O-N 2.96Å; V37-L40 WeakPolarHBondContact O-CB 3.41Å; V37-L40 PolarHBondContact O-N 3.48Å; V37-A80 HydrophobicContact CG1-CB 4.1Å; V37-A80 HydrophobicContact CG2-CB 4.47Å; V37-L81 HydrophobicContact CG1-CD2 3.62Å; V37-L81 HydrophobicContact CG1-CG 3.95Å; V37-L81 WeakPolarHBondContact O-CD2 3.47Å
38K88.5Confident88.2Confident60 Ų6065.6 Ų65.626%0.26132%0.319SS..Hα-helixtrans-61.8-31.1176.3-65.8172.7-170160.30113R33 D34 D35 N36 L40 P42 T84R33-K38 VanDerWaalsContact NE-NZ 3.14Å; D34-K38 PolarHBondContact O-N 3.43Å; D35-K38 WeakPolarHBondContact O-CB 3.45Å; D35-K38 PolarHBondContact O-N 3.08Å; D35-K38 IonicContact OD1-NZ 3.27Å; D35-K38 PolarHBondContact OD1-NZ 3Å; N36-K38 VanDerWaalsContact C-N 3.29Å; N36-K38 PolarHBondContact O-N 3.32Å; K38-L40 PolarHBondContact O-N 3.23Å; K38-P42 WeakPolarHBondContact O-CD 3.11Å; K38-T84 HydrophobicContact CD-CG2 4.46Å; K38-T84 HydrophobicContact CG-CG2 3.46Å; K38-T84 VanDerWaalsContact CG-CG2 3.46Å
39K92.7Very high87.9Confident107 Ų10771.6 Ų71.647%0.46535%0.345SS..Hα-helixtrans-72.3-16.9-180-64.3172.6-170.2168.30113.1L25 D35 N36 V37 P42 L43L25-K39 HydrophobicContact CD1-CB 4.32Å; D35-K39 WeakPolarHBondContact O-CG 3.2Å; N36-K39 WeakPolarHBondContact O-CB 3.48Å; N36-K39 PolarHBondContact O-N 3.39Å; N36-K39 PolarHBondContact OD1-NZ 3.04Å; V37-K39 PolarHBondContact O-N 2.96Å; K39-P42 WeakPolarHBondContact O-CD 3.49Å; K39-L43 WeakPolarHBondContact O-CB 3.49Å; K39-L43 PolarHBondContact O-N 3.1Å
40L92.4Very high87.6Confident33 Ų3375.3 Ų75.317%0.17337%0.367CS..Hα-helixtrans-65.5-46.8-174.1-168.6147.9000112.6L25 V37 K38 L43 V44 L77 L81L25-L40 HydrophobicContact CD1-CB 4.41Å; V37-L40 WeakPolarHBondContact O-CB 3.41Å; V37-L40 PolarHBondContact O-N 3.48Å; K38-L40 PolarHBondContact O-N 3.23Å; L40-L43 PolarHBondContact O-N 3Å; L40-V44 HydrophobicContact CD2-CG2 4Å; L40-V44 HydrophobicContact CG-CG2 4.48Å; L40-V44 WeakPolarHBondContact O-CB 3.16Å; L40-V44 VanDerWaalsContact O-CG2 3.28Å; L40-V44 WeakPolarHBondContact O-CG2 3.49Å; L40-V44 PolarHBondContact O-N 3.13Å; L40-L77 HydrophobicContact CD1-CD1 4.12Å; L40-L77 HydrophobicContact CD1-CD2 4.32Å; L40-L81 HydrophobicContact CB-CD2 4.07Å; L40-L81 HydrophobicContact CD1-CD1 4.3Å; L40-L81 HydrophobicContact CD2-CD1 3.92Å; L40-L81 HydrophobicContact CD2-CD2 4.19Å
41V91.3Very high87.2Confident12 Ų1271.6 Ų71.67%0.07336%0.357CS..Hα-helixtrans-63.1-50179.21720000111.4L43 V44 M45 L81 N85 M116V41-L43 PolarHBondContact O-N 2.94Å; V41-V44 PolarHBondContact O-N 3.38Å; V41-M45 HydrophobicContact CG1-CG 4.44Å; V41-M45 WeakPolarHBondContact O-CB 3.29Å; V41-M45 VanDerWaalsContact O-CG 3.24Å; V41-M45 WeakPolarHBondContact O-CG 3.48Å; V41-M45 PolarHBondContact O-N 3.06Å; V41-L81 HydrophobicContact CG2-CD2 4.41Å; V41-N85 WeakPolarHBondContact CG2-ND2 3.43Å; V41-M116 HydrophobicContact CG1-CE 4Å; V41-M116 HydrophobicContact CG1-SD 4.45Å; V41-M116 HydrophobicContact CG2-SD 4.04Å
42P91.7Very high86.6Confident83 Ų8373.6 Ų73.654%0.53937%0.373SS..Hα-helixtrans-55.6-45.8173.3-2734.3000113.7K38 K39 M45 E46K38-P42 WeakPolarHBondContact O-CD 3.11Å; K39-P42 WeakPolarHBondContact O-CD 3.49Å; P42-M45 PolarHBondContact O-N 3.21Å; P42-E46 PolarHBondContact O-N 3.05Å
43L92.7Very high86.3Confident48 Ų4871.7 Ų71.725%0.25136%0.36SS..Hα-helixtrans-61.6-48.4-179.8176.761.2000111.6N23 L25 K39 L40 V41 M45 E46 L47N23-L43 HydrophobicContact CB-CD2 4.33Å; L25-L43 HydrophobicContact CD1-CD2 3.72Å; L25-L43 HydrophobicContact CD2-CD2 4.5Å; L25-L43 HydrophobicContact CG-CD2 3.98Å; K39-L43 WeakPolarHBondContact O-CB 3.49Å; K39-L43 PolarHBondContact O-N 3.1Å; L40-L43 PolarHBondContact O-N 3Å; V41-L43 PolarHBondContact O-N 2.94Å; L43-M45 VanDerWaalsContact C-N 3.29Å; L43-M45 PolarHBondContact O-N 3.4Å; L43-E46 WeakPolarHBondContact O-CB 3.48Å; L43-E46 PolarHBondContact O-N 3.07Å; L43-L47 HydrophobicContact CD1-CD1 4.33Å; L43-L47 HydrophobicContact CD1-CG 4.38Å; L43-L47 HydrophobicContact CG-CD1 4.2Å; L43-L47 WeakPolarHBondContact O-CG 3.4Å; L43-L47 PolarHBondContact O-N 2.85Å
44V90.8Very high85.3Confident27 Ų2771.7 Ų71.716%0.16437%0.365CS..Hα-helixtrans-60.4-43.3177.3170.70000110.4L40 V41 E46 L47 I48 L64 M116L40-V44 HydrophobicContact CD2-CG2 4Å; L40-V44 HydrophobicContact CG-CG2 4.48Å; L40-V44 WeakPolarHBondContact O-CB 3.16Å; L40-V44 VanDerWaalsContact O-CG2 3.28Å; L40-V44 WeakPolarHBondContact O-CG2 3.49Å; L40-V44 PolarHBondContact O-N 3.13Å; V41-V44 PolarHBondContact O-N 3.38Å; V44-E46 VanDerWaalsContact C-N 3.28Å; V44-E46 PolarHBondContact O-N 2.59Å; V44-L47 PolarHBondContact O-N 2.83Å; V44-I48 HydrophobicContact CG1-CD1 3.54Å; V44-I48 HydrophobicContact CG1-CG1 4.04Å; V44-I48 WeakPolarHBondContact O-CG1 3.43Å; V44-I48 PolarHBondContact O-N 3.32Å; V44-L64 HydrophobicContact CG1-CD1 3.73Å; V44-L64 HydrophobicContact CG1-CD2 3.83Å; V44-L64 HydrophobicContact CG1-CG 4.42Å; V44-L64 HydrophobicContact CG2-CD1 4.49Å; V44-M116 HydrophobicContact CG1-CE 4.38Å
45M89.1Confident83.9Confident22 Ų2278.4 Ų78.411%0.10840%0.401CS..Hα-helixtrans-60.1-39.3177.9-73.1-57.7-58.100112.8V41 P42 L43 K49 Y62 P114 M116V41-M45 HydrophobicContact CG1-CG 4.44Å; V41-M45 WeakPolarHBondContact O-CB 3.29Å; V41-M45 VanDerWaalsContact O-CG 3.24Å; V41-M45 WeakPolarHBondContact O-CG 3.48Å; V41-M45 PolarHBondContact O-N 3.06Å; P42-M45 PolarHBondContact O-N 3.21Å; L43-M45 VanDerWaalsContact C-N 3.29Å; L43-M45 PolarHBondContact O-N 3.4Å; M45-K49 WeakPolarHBondContact O-CB 3.38Å; M45-K49 VanDerWaalsContact O-CG 3.22Å; M45-K49 WeakPolarHBondContact O-CG 3.26Å; M45-K49 PolarHBondContact O-N 3.1Å; M45-Y62 HydrophobicContact CE-CD2 4.44Å; M45-Y62 HydrophobicContact CE-CE1 4.12Å; M45-Y62 HydrophobicContact CE-CE2 3.68Å; M45-Y62 VanDerWaalsContact CE-CZ 3.48Å; M45-Y62 WeakPolarHBondContact CE-OH 3.48Å; M45-Y62 HydrophobicContact SD-CD1 4.21Å; M45-Y62 HydrophobicContact SD-CD2 3.94Å; M45-Y62 HydrophobicContact SD-CE1 4.03Å; M45-Y62 HydrophobicContact SD-CE2 3.77Å; M45-Y62 HydrophobicContact SD-CG 4.16Å; M45-P114 HydrophobicContact CE-CB 4.32Å; M45-P114 HydrophobicContact CE-CG 3.88Å; M45-P114 HydrophobicContact CG-CG 3.84Å; M45-P114 HydrophobicContact SD-CB 4.3Å; M45-P114 HydrophobicContact SD-CG 3.48Å; M45-P114 WeakPolarHBondContact SD-CG 3.42Å; M45-M116 HydrophobicContact CG-CE 4.27Å; M45-M116 HydrophobicContact SD-CE 3.97Å
46E90.3Very high82.6Confident103 Ų10380.7 Ų80.748%0.48140%0.403SS..Hα-helixtrans-65.1-45.7175.7-170.158.4-160.900112P42 L43 V44 I48 K49 T50P42-E46 PolarHBondContact O-N 3.05Å; L43-E46 WeakPolarHBondContact O-CB 3.48Å; L43-E46 PolarHBondContact O-N 3.07Å; V44-E46 VanDerWaalsContact C-N 3.28Å; V44-E46 PolarHBondContact O-N 2.59Å; E46-I48 PolarHBondContact O-N 3.36Å; E46-K49 PolarHBondContact O-N 3.41Å; E46-T50 WeakPolarHBondContact O-CG2 3.48Å; E46-T50 PolarHBondContact O-N 2.7Å; E46-T50 PolarHBondContact O-OG1 3.14Å
47L89.6Confident81.1Confident71 Ų7188.3 Ų88.337%0.37244%0.437SS..Hα-helixtrans-62.8-40.9178.3-66.7173000112.5N23 L43 V44 T50 G51N23-L47 HydrophobicContact CB-CD1 4.24Å; N23-L47 VanDerWaalsContact ND2-CD2 3.28Å; N23-L47 WeakPolarHBondContact ND2-CD2 3.31Å; L43-L47 HydrophobicContact CD1-CD1 4.33Å; L43-L47 HydrophobicContact CD1-CG 4.38Å; L43-L47 HydrophobicContact CG-CD1 4.2Å; L43-L47 WeakPolarHBondContact O-CG 3.4Å; L43-L47 PolarHBondContact O-N 2.85Å; V44-L47 PolarHBondContact O-N 2.83Å; L47-T50 PolarHBondContact O-OG1 3.43Å; L47-G51 PolarHBondContact O-N 2.92Å; L47-G51 VanDerWaalsContact O-N 3.17Å
48I85.9Confident79.7Confident42 Ų4296.9 Ų96.922%0.21548%0.477CS..Hα-helixtrans-71.2-35.8177.8-52.1167.7000109.5V44 E46 R53 Y62 L64V44-I48 HydrophobicContact CG1-CD1 3.54Å; V44-I48 HydrophobicContact CG1-CG1 4.04Å; V44-I48 WeakPolarHBondContact O-CG1 3.43Å; V44-I48 PolarHBondContact O-N 3.32Å; E46-I48 PolarHBondContact O-N 3.36Å; I48-R53 PolarHBondContact O-NE 2.86Å; I48-R53 PolarHBondContact O-NH2 3.18Å; I48-Y62 HydrophobicContact CD1-CD1 3.68Å; I48-Y62 HydrophobicContact CD1-CE1 4.1Å; I48-Y62 HydrophobicContact CG2-CE1 4.24Å; I48-L64 HydrophobicContact CD1-CD2 4.21Å
49K83.8Confident78.5Confident137 Ų13799.4 Ų99.460%0.59649%0.493SS*.Hα-helixtrans-65.5-36.9178.2-80.6175-177.6-177.70113.2M45 E46M45-K49 WeakPolarHBondContact O-CB 3.38Å; M45-K49 VanDerWaalsContact O-CG 3.22Å; M45-K49 WeakPolarHBondContact O-CG 3.26Å; M45-K49 PolarHBondContact O-N 3.1Å; E46-K49 PolarHBondContact O-N 3.41Å
50T83.6Confident77.7Confident98 Ų98105.1 Ų105.160%0.60151%0.512SS*.Hα-helixtrans-87.2-14-176.149.70000113.7E46 L47E46-T50 WeakPolarHBondContact O-CG2 3.48Å; E46-T50 PolarHBondContact O-N 2.7Å; E46-T50 PolarHBondContact O-OG1 3.14Å; L47-T50 PolarHBondContact O-OG1 3.43Å
51G77.8Confident77.3Confident38 Ų38105.2 Ų105.239%0.39251%0.513SS..SBendtrans-81.6149.8176.100000113.5L47 R53L47-G51 PolarHBondContact O-N 2.92Å; L47-G51 VanDerWaalsContact O-N 3.17Å; G51-R53 PolarHBondContact O-N 3.18Å
52D71.6Confident77.2Confident165 Ų165106.7 Ų106.788%0.88252%0.517SS*.  trans-60.6123.2172.4-66.3-42.7000110.3
53R68.1Low77Confident109 Ų109104.9 Ų104.941%0.41151%0.506SS..  trans-117.1120.6-179.9-62.4-165.5-164.5-174.89.2110.8I48 G51I48-R53 PolarHBondContact O-NE 2.86Å; I48-R53 PolarHBondContact O-NH2 3.18Å; G51-R53 PolarHBondContact O-N 3.18Å
54F58.7Low76.9Confident194 Ų194104.6 Ų104.685%0.85151%0.505SS*.  trans-90.6120161.5-66.3-84.7000108.7
55N54.5Low76.9Confident161 Ų161108.6 Ų108.686%0.86152%0.523SS*.SBendtrans5990.5160.5-121.517.2000117.7
56R61.1Low77Confident146 Ų146108.6 Ų108.655%0.55152%0.524SS*.  trans-154.145.9165.9-77.4-159.2178.9172.72.5114.2E58R56-E58 PolarHBondContact O-N 3.4Å
57E58.9Low77.1Confident197 Ų197110.1 Ų110.192%0.92153%0.534SS*.SBendtrans-67.9-22.3174-72.5-169.8160.900113
58E60.2Low77.2Confident182 Ų182108.1 Ų108.185%0.8553%0.531SS*.SBendtrans-98.8-33.1-172.9-65.7-177161.200115.6R56 R60R56-E58 PolarHBondContact O-N 3.4Å; E58-R60 PolarHBondContact O-N 3.3Å
59N64.7Low77.5Confident112 Ų112107.8 Ų107.860%0.59953%0.531SS*.  trans-91.2108.1-176.6-90.1-47.6000112.2
60R74.6Confident77.8Confident227 Ų227102 Ų10286%0.85751%0.507SS*.  trans-84.6-9.2-179.4-63.8-173.9179.1-172.80.2114.2E58E58-R60 PolarHBondContact O-N 3.3Å
61D85.2Confident78Confident36 Ų3699.9 Ų99.919%0.19349%0.492CS..  trans-94.9146.518069.7-45.6000113L115 Y117D61-L115 WeakPolarHBondContact CA-O 3.26Å; D61-L115 HydrophobicContact CB-CD2 4.05Å; D61-L115 HydrophobicContact CB-CG 4.16Å; D61-Y117 HydrophobicContact CB-CD2 4.25Å; D61-Y117 HydrophobicContact CB-CE2 3.95Å
62Y87.8Confident78.7Confident42 Ų42102 Ų10217%0.16550%0.497CS..EExtended strand (participates in β ladder)trans-103.1118.3175.3-64-84.7000109.4M45 I48 P114 L115 M116 Y117M45-Y62 HydrophobicContact CE-CD2 4.44Å; M45-Y62 HydrophobicContact CE-CE1 4.12Å; M45-Y62 HydrophobicContact CE-CE2 3.68Å; M45-Y62 VanDerWaalsContact CE-CZ 3.48Å; M45-Y62 WeakPolarHBondContact CE-OH 3.48Å; M45-Y62 HydrophobicContact SD-CD1 4.21Å; M45-Y62 HydrophobicContact SD-CD2 3.94Å; M45-Y62 HydrophobicContact SD-CE1 4.03Å; M45-Y62 HydrophobicContact SD-CE2 3.77Å; M45-Y62 HydrophobicContact SD-CG 4.16Å; I48-Y62 HydrophobicContact CD1-CD1 3.68Å; I48-Y62 HydrophobicContact CD1-CE1 4.1Å; I48-Y62 HydrophobicContact CG2-CE1 4.24Å; Y62-P114 HydrophobicContact CD2-CB 3.88Å; Y62-P114 HydrophobicContact CD2-CG 4.32Å; Y62-P114 HydrophobicContact CE2-CB 3.75Å; Y62-P114 HydrophobicContact CE2-CG 4.34Å; Y62-L115 PolarHBondContact N-O 3.46Å; Y62-M116 CarbonylContact O-C 3.44Å; Y62-M116 VanDerWaalsContact O-CA 3.27Å; Y62-M116 WeakPolarHBondContact O-CA 3.34Å; Y62-Y117 PolarHBondContact O-N 3.22Å
63C89.1Confident79.5Confident46 Ų4695.5 Ų95.531%0.31147%0.469SS..EExtended strand (participates in β ladder)trans-111.3120174.1-166.60000109.1
64L90.5Very high80.6Confident41 Ų4191 Ų9122%0.21545%0.452CS..EExtended strand (participates in β ladder)trans-119.4155179.5-48.1157.2000109.7V44 I48 M116 Y117 L118 L119V44-L64 HydrophobicContact CG1-CD1 3.73Å; V44-L64 HydrophobicContact CG1-CD2 3.83Å; V44-L64 HydrophobicContact CG1-CG 4.42Å; V44-L64 HydrophobicContact CG2-CD1 4.49Å; I48-L64 HydrophobicContact CD1-CD2 4.21Å; L64-M116 HydrophobicContact CD1-CE 4.18Å; L64-M116 HydrophobicContact CD1-CG 4.03Å; L64-M116 HydrophobicContact CD1-SD 3.53Å; L64-M116 VanDerWaalsContact CD1-SD 3.53Å; L64-Y117 PolarHBondContact N-O 3.46Å; L64-L118 HydrophobicContact CB-CD2 3.59Å; L64-L118 HydrophobicContact CD1-CD2 3.82Å; L64-L118 HydrophobicContact CG-CD2 4.25Å; L64-L118 CarbonylContact O-C 3.5Å; L64-L118 WeakPolarHBondContact O-CA 3.38Å; L64-L119 PolarHBondContact O-N 3.15Å
65M90.6Very high82.1Confident112 Ų11282.3 Ų82.355%0.55242%0.415SS*.EExtended strand (participates in β ladder)trans-112.4133.5175.7-172.4176.2-75.800109.6I67 L119 T121M65-I67 HydrophobicContact CG-CG2 3.94Å; M65-I67 HydrophobicContact SD-CG2 4.05Å; M65-L119 HydrophobicContact CE-CD1 3.84Å; M65-L119 HydrophobicContact CG-CB 4.43Å; M65-T121 HydrophobicContact CE-CG2 4.38Å; M65-T121 HydrophobicContact CG-CG2 3.39Å; M65-T121 HydrophobicContact SD-CG2 3.79Å
66V90.8Very high83.9Confident22 Ų2275.5 Ų75.513%0.13338%0.38CS..EExtended strand (participates in β ladder)trans-99121.5172.7-176.10000108K74 L77 I78 L118 L119 T121V66-K74 HydrophobicContact CG1-CB 3.96Å; V66-K74 HydrophobicContact CG1-CD 4.43Å; V66-K74 HydrophobicContact CG1-CG 4Å; V66-L77 HydrophobicContact CG1-CD2 4.37Å; V66-I78 HydrophobicContact CG2-CD1 4.36Å; V66-I78 HydrophobicContact CG2-CG1 4.14Å; V66-L118 HydrophobicContact CG2-CB 4.46Å; V66-L118 HydrophobicContact CG2-CD1 3.94Å; V66-L118 HydrophobicContact CG2-CD2 4.26Å; V66-L118 HydrophobicContact CG2-CG 4.44Å; V66-L119 PolarHBondContact N-O 3.24Å; V66-T121 WeakPolarHBondContact O-CG2 3.29Å; V66-T121 PolarHBondContact O-OG1 2.7Å
67I91.9Very high85.4Confident134 Ų13470 Ų7069%0.68736%0.362SS*.  trans-118.8161.5-179.963.5168.7000111.5M65M65-I67 HydrophobicContact CG-CG2 3.94Å; M65-I67 HydrophobicContact SD-CG2 4.05Å
68G91.7Very high86.9Confident29 Ų2960.6 Ų60.630%0.29932%0.318SS..  trans148166.4177.200000112.6K74 G123 V124G68-K74 PolarHBondContact O-NZ 3.49Å; G68-G123 VanDerWaalsContact O-CA 3.31Å; G68-G123 WeakPolarHBondContact O-CA 3.2Å; G68-V124 PolarHBondContact O-N 3.38Å
69V92.2Very high88.4Confident36 Ų3652.1 Ų52.122%0.21828%0.278CS..SBendtrans-62.6163-177-53.10000112.1V72 K74 V124 L125 T143V69-V72 HydrophobicContact CB-CG1 4.38Å; V69-V72 HydrophobicContact CG2-CG1 3.24Å; V69-V72 VanDerWaalsContact O-CG2 3.25Å; V69-V72 WeakPolarHBondContact O-CG2 3.34Å; V69-K74 PolarHBondContact O-NZ 2.87Å; V69-V124 WeakPolarHBondContact CA-O 3.49Å; V69-V124 WeakPolarHBondContact CG1-O 3.36Å; V69-L125 HydrophobicContact CB-CD2 4Å; V69-L125 HydrophobicContact CG1-CD2 3.95Å; V69-T143 HydrophobicContact CB-CG2 3.6Å; V69-T143 HydrophobicContact CG2-CG2 3.48Å; V69-T143 VanDerWaalsContact CG2-CG2 3.48Å
70P90.7Very high89.7Confident14 Ų1447 Ų479%0.09125%0.251CS..THydrogen-bonded Turntrans-51.8148.9175.5-27.434.3000113.5V72 P98 L125 T143P70-V72 PolarHBondContact O-N 3.44Å; P70-P98 HydrophobicContact CB-CB 4.02Å; P70-L125 HydrophobicContact CG-CG 4.45Å; P70-T143 HydrophobicContact CB-CG2 4.14Å; P70-T143 WeakPolarHBondContact CB-O 3.47Å; P70-T143 HydrophobicContact CG-CG2 4.25Å; P70-T143 WeakPolarHBondContact O-CG2 3.41Å; P70-T143 PolarHBondContact O-OG1 2.76Å
71N88.6Confident90.5Very high55 Ų5536.2 Ų36.229%0.29421%0.211SC..THydrogen-bonded Turntrans60.26.3174.2-64.3-16000118.6G73 G96 E97 P98 G142N71-G73 PolarHBondContact O-N 3.04Å; N71-G96 PolarHBondContact ND2-O 3.31Å; N71-E97 PolarHBondContact OD1-O 2.69Å; N71-P98 VanDerWaalsContact ND2-CD 3.3Å; N71-P98 WeakPolarHBondContact ND2-CD 3.49Å; N71-G142 PolarHBondContact ND2-O 2.89Å
72V90.6Very high90.8Very high83 Ų8336.9 Ų36.950%0.50321%0.211SC..SBendtrans-69.8-0.7173.1-57.30000115.3V69 P70 K74V69-V72 HydrophobicContact CB-CG1 4.38Å; V69-V72 HydrophobicContact CG2-CG1 3.24Å; V69-V72 VanDerWaalsContact O-CG2 3.25Å; V69-V72 WeakPolarHBondContact O-CG2 3.34Å; P70-V72 PolarHBondContact O-N 3.44Å; V72-K74 HydrophobicContact CG2-CD 4.47Å; V72-K74 HydrophobicContact CG2-CG 3.74Å
73G89.6Confident90.9Very high27 Ų2737.2 Ų37.228%0.27821%0.211SC..SBendtrans90.722.7178.100000116.1N71 S75 S76 L77N71-G73 PolarHBondContact O-N 3.04Å; G73-S75 PolarHBondContact O-N 3.4Å; G73-S76 WeakPolarHBondContact O-CB 3.47Å; G73-S76 PolarHBondContact O-N 3.14Å; G73-S76 VanDerWaalsContact O-N 3.13Å; G73-L77 PolarHBondContact O-N 2.9Å
74K91.6Very high90.9Very high16 Ų1636.7 Ų36.77%0.0721%0.207CC..Hα-helixtrans-51-55.5175.4-61.1-175.1-64.9-66.90112.8V66 G68 V69 V72 S76 L77 I78 T121V66-K74 HydrophobicContact CG1-CB 3.96Å; V66-K74 HydrophobicContact CG1-CD 4.43Å; V66-K74 HydrophobicContact CG1-CG 4Å; G68-K74 PolarHBondContact O-NZ 3.49Å; V69-K74 PolarHBondContact O-NZ 2.87Å; V72-K74 HydrophobicContact CG2-CD 4.47Å; V72-K74 HydrophobicContact CG2-CG 3.74Å; K74-S76 VanDerWaalsContact C-N 3.28Å; K74-S76 PolarHBondContact O-N 3.24Å; K74-L77 WeakPolarHBondContact O-CB 3.32Å; K74-L77 PolarHBondContact O-N 2.91Å; K74-L77 VanDerWaalsContact O-N 3.16Å; K74-I78 WeakPolarHBondContact O-CG1 3.49Å; K74-I78 PolarHBondContact O-N 3.4Å; K74-I78 VanDerWaalsContact O-N 3.09Å; K74-T121 WeakPolarHBondContact CE-O 3.34Å
75S89.6Confident90.7Very high11 Ų1137.1 Ų37.18%0.07721%0.21CC..Hα-helixtrans-66.2-30.7179-50.50000112.5G73 N79 S92 R93 T101 D120G73-S75 PolarHBondContact O-N 3.4Å; S75-N79 WeakPolarHBondContact O-CB 3.47Å; S75-N79 VanDerWaalsContact O-CG 3.3Å; S75-N79 PolarHBondContact O-N 3.24Å; S75-N79 PolarHBondContact O-ND2 2.84Å; S75-N79 VanDerWaalsContact O-ND2 3.14Å; S75-S92 WeakPolarHBondContact CB-OG 3.44Å; S75-S92 PolarHBondContact OG-OG 2.95Å; S75-R93 WeakPolarHBondContact CB-O 3.37Å; S75-T101 PolarHBondContact OG-OG1 3.34Å; S75-D120 WeakPolarHBondContact CB-OD2 3.44Å; S75-D120 PolarHBondContact OG-OD1 2.71Å; S75-D120 PolarHBondContact OG-OD2 2.98Å
76S91.7Very high90.6Very high17 Ų1732.3 Ų32.312%0.11919%0.186CC..Hα-helixtrans-65.2-42.8172.5-59.50000111.6G73 K74 N79 A80 V94G73-S76 WeakPolarHBondContact O-CB 3.47Å; G73-S76 PolarHBondContact O-N 3.14Å; G73-S76 VanDerWaalsContact O-N 3.13Å; K74-S76 VanDerWaalsContact C-N 3.28Å; K74-S76 PolarHBondContact O-N 3.24Å; S76-N79 PolarHBondContact O-N 3.38Å; S76-A80 WeakPolarHBondContact O-CB 3.48Å; S76-A80 PolarHBondContact O-N 2.85Å; S76-V94 WeakPolarHBondContact OG-CG1 3.46Å
77L92.8Very high90.2Very high31 Ų3140.4 Ų40.416%0.16222%0.22CC..Hα-helixtrans-61.4-46.6175.7177.165.1000111.6C29 L40 V66 G73 K74 N79 A80 L81C29-L77 VanDerWaalsContact SG-CA 3.59Å; C29-L77 VanDerWaalsContact SG-CD1 3.59Å; L40-L77 HydrophobicContact CD1-CD1 4.12Å; L40-L77 HydrophobicContact CD1-CD2 4.32Å; V66-L77 HydrophobicContact CG1-CD2 4.37Å; G73-L77 PolarHBondContact O-N 2.9Å; K74-L77 WeakPolarHBondContact O-CB 3.32Å; K74-L77 PolarHBondContact O-N 2.91Å; K74-L77 VanDerWaalsContact O-N 3.16Å; L77-N79 VanDerWaalsContact C-N 3.33Å; L77-N79 PolarHBondContact O-N 3.09Å; L77-A80 WeakPolarHBondContact O-CB 3.44Å; L77-A80 PolarHBondContact O-N 3.5Å; L77-A80 VanDerWaalsContact O-N 3.14Å; L77-L81 HydrophobicContact CD1-CD1 4.19Å; L77-L81 HydrophobicContact CD1-CG 4.39Å; L77-L81 HydrophobicContact CG-CD1 4.1Å; L77-L81 WeakPolarHBondContact O-CG 3.47Å; L77-L81 PolarHBondContact O-N 3.31Å
78I91.6Very high89.7Confident0 Ų038.7 Ų38.70%021%0.208CC..Hα-helixtrans-58.6-47.4177.1-64.5168.7000110.5V66 K74 A80 L81 R82 I108 V110 L118 D120V66-I78 HydrophobicContact CG2-CD1 4.36Å; V66-I78 HydrophobicContact CG2-CG1 4.14Å; K74-I78 WeakPolarHBondContact O-CG1 3.49Å; K74-I78 PolarHBondContact O-N 3.4Å; K74-I78 VanDerWaalsContact O-N 3.09Å; I78-A80 VanDerWaalsContact C-N 3.32Å; I78-A80 PolarHBondContact O-N 3.38Å; I78-L81 PolarHBondContact O-N 2.95Å; I78-R82 WeakPolarHBondContact O-CB 3.32Å; I78-R82 PolarHBondContact O-N 2.84Å; I78-I108 HydrophobicContact CG2-CB 4.1Å; I78-I108 HydrophobicContact CG2-CD1 3.81Å; I78-I108 HydrophobicContact CG2-CG2 3.8Å; I78-V110 HydrophobicContact CG2-CG1 4.24Å; I78-L118 HydrophobicContact CB-CD1 4.4Å; I78-L118 HydrophobicContact CD1-CB 4.47Å; I78-L118 HydrophobicContact CG1-CB 4.16Å; I78-L118 HydrophobicContact CG1-CD1 3.78Å; I78-L118 HydrophobicContact CG2-CB 4.49Å; I78-D120 HydrophobicContact CD1-CB 3.45Å; I78-D120 VanDerWaalsContact CD1-CB 3.45Å; I78-D120 VanDerWaalsContact CD1-CG 3.44Å; I78-D120 WeakPolarHBondContact CD1-OD1 3.49Å
79N91.6Very high89Confident3 Ų339.7 Ų39.72%0.01622%0.217CC..Hα-helixtrans-65.3-33.8177.1-75.4-35000112.6S75 S76 L77 R83 R90 A91 S92 V94S75-N79 WeakPolarHBondContact O-CB 3.47Å; S75-N79 VanDerWaalsContact O-CG 3.3Å; S75-N79 PolarHBondContact O-N 3.24Å; S75-N79 PolarHBondContact O-ND2 2.84Å; S75-N79 VanDerWaalsContact O-ND2 3.14Å; S76-N79 PolarHBondContact O-N 3.38Å; L77-N79 VanDerWaalsContact C-N 3.33Å; L77-N79 PolarHBondContact O-N 3.09Å; N79-R83 WeakPolarHBondContact O-CB 3.39Å; N79-R83 VanDerWaalsContact O-CG 3.28Å; N79-R83 WeakPolarHBondContact O-CG 3.46Å; N79-R83 PolarHBondContact O-N 3.29Å; N79-R83 PolarHBondContact O-NE 3.5Å; N79-R90 WeakPolarHBondContact OD1-CA 3.3Å; N79-A91 PolarHBondContact OD1-N 2.92Å; N79-S92 PolarHBondContact ND2-O 3.32Å; N79-S92 PolarHBondContact OD1-N 2.87Å; N79-S92 VanDerWaalsContact OD1-N 3.09Å; N79-V94 WeakPolarHBondContact ND2-CG2 3.39Å
80A91.9Very high88.3Confident5 Ų546.7 Ų46.74%0.04124%0.24CC..Hα-helixtrans-67.2-44.4175.500000111.6C29 V37 S76 L77 I78 R83 T84C29-A80 HydrophobicContact CB-CB 4.02Å; V37-A80 HydrophobicContact CG1-CB 4.1Å; V37-A80 HydrophobicContact CG2-CB 4.47Å; S76-A80 WeakPolarHBondContact O-CB 3.48Å; S76-A80 PolarHBondContact O-N 2.85Å; L77-A80 WeakPolarHBondContact O-CB 3.44Å; L77-A80 PolarHBondContact O-N 3.5Å; L77-A80 VanDerWaalsContact O-N 3.14Å; I78-A80 VanDerWaalsContact C-N 3.32Å; I78-A80 PolarHBondContact O-N 3.38Å; A80-R83 PolarHBondContact O-N 3.07Å; A80-T84 VanDerWaalsContact O-CB 3.29Å; A80-T84 WeakPolarHBondContact O-CB 3.21Å; A80-T84 PolarHBondContact O-N 2.99Å; A80-T84 PolarHBondContact O-OG1 2.94Å
81L91.6Very high87.7Confident1 Ų148.3 Ų48.31%0.00526%0.255CS..Hα-helixtrans-64.7-44.1176.7-71.3164.8000111.7V37 L40 V41 L77 I78 R83 T84 N85 V110 L118V37-L81 HydrophobicContact CG1-CD2 3.62Å; V37-L81 HydrophobicContact CG1-CG 3.95Å; V37-L81 WeakPolarHBondContact O-CD2 3.47Å; L40-L81 HydrophobicContact CB-CD2 4.07Å; L40-L81 HydrophobicContact CD1-CD1 4.3Å; L40-L81 HydrophobicContact CD2-CD1 3.92Å; L40-L81 HydrophobicContact CD2-CD2 4.19Å; V41-L81 HydrophobicContact CG2-CD2 4.41Å; L77-L81 HydrophobicContact CD1-CD1 4.19Å; L77-L81 HydrophobicContact CD1-CG 4.39Å; L77-L81 HydrophobicContact CG-CD1 4.1Å; L77-L81 WeakPolarHBondContact O-CG 3.47Å; L77-L81 PolarHBondContact O-N 3.31Å; I78-L81 PolarHBondContact O-N 2.95Å; L81-R83 PolarHBondContact O-N 3.41Å; L81-T84 PolarHBondContact O-N 3.36Å; L81-N85 WeakPolarHBondContact O-CB 3.25Å; L81-N85 PolarHBondContact O-N 2.98Å; L81-N85 PolarHBondContact O-ND2 3.36Å; L81-V110 HydrophobicContact CB-CB 4.04Å; L81-V110 HydrophobicContact CB-CG1 4.27Å; L81-L118 HydrophobicContact CD1-CD1 3.56Å
82R90.6Very high87.3Confident50 Ų5046 Ų4619%0.18924%0.243CC..Iπ-helixtrans-60.6-44.5177.2-171.4173.3-169-104.15.1112.5I78 T84 V86 K87 K88 G89I78-R82 WeakPolarHBondContact O-CB 3.32Å; I78-R82 PolarHBondContact O-N 2.84Å; R82-T84 VanDerWaalsContact C-N 3.35Å; R82-V86 HydrophobicContact CG-CB 4.4Å; R82-V86 CarbonylContact O-C 3.46Å; R82-V86 WeakPolarHBondContact O-CA 3.5Å; R82-V86 VanDerWaalsContact O-CB 3.32Å; R82-V86 WeakPolarHBondContact O-CB 3.26Å; R82-V86 PolarHBondContact O-N 3.09Å; R82-K87 PolarHBondContact O-N 3.45Å; R82-K87 VanDerWaalsContact O-N 3.17Å; R82-K88 HydrophobicContact CG-CB 4.43Å; R82-K88 VanDerWaalsContact CZ-CB 3.49Å; R82-K88 VanDerWaalsContact NH1-CB 3.31Å; R82-G89 PolarHBondContact NH1-O 2.97Å
83R90.3Very high86.8Confident48 Ų4852.2 Ų52.218%0.18126%0.257CS..Iπ-helixtrans-63-41.9174.6-76.3-176.8-65.51750.7111.8C29 Q32 N79 A80 L81 K87 K88C29-R83 PolarHBondContact O-NH2 2.98Å; C29-R83 VanDerWaalsContact O-NH2 3.12Å; Q32-R83 VanDerWaalsContact OE1-NH1 3.1Å; N79-R83 WeakPolarHBondContact O-CB 3.39Å; N79-R83 VanDerWaalsContact O-CG 3.28Å; N79-R83 WeakPolarHBondContact O-CG 3.46Å; N79-R83 PolarHBondContact O-N 3.29Å; N79-R83 PolarHBondContact O-NE 3.5Å; A80-R83 PolarHBondContact O-N 3.07Å; L81-R83 PolarHBondContact O-N 3.41Å; R83-K87 VanDerWaalsContact O-CA 3.27Å; R83-K87 WeakPolarHBondContact O-CA 3.36Å; R83-K87 PolarHBondContact O-N 3.45Å; R83-K88 WeakPolarHBondContact CG-O 3.41Å
84T87.9Confident86.3Confident36 Ų3654.3 Ų54.322%0.22127%0.265CS..Iπ-helixtrans-71.1-45.3-174.3-59.10000112.8K38 A80 L81 R82K38-T84 HydrophobicContact CD-CG2 4.46Å; K38-T84 HydrophobicContact CG-CG2 3.46Å; K38-T84 VanDerWaalsContact CG-CG2 3.46Å; A80-T84 VanDerWaalsContact O-CB 3.29Å; A80-T84 WeakPolarHBondContact O-CB 3.21Å; A80-T84 PolarHBondContact O-N 2.99Å; A80-T84 PolarHBondContact O-OG1 2.94Å; L81-T84 PolarHBondContact O-N 3.36Å; R82-T84 VanDerWaalsContact C-N 3.35Å
85N87.8Confident85.6Confident50 Ų5055.2 Ų55.227%0.26728%0.278SS..Iπ-helixtrans-103.6-27.2-168.5-59.6-31.9000113.6V41 L81 V110V41-N85 WeakPolarHBondContact CG2-ND2 3.43Å; L81-N85 WeakPolarHBondContact O-CB 3.25Å; L81-N85 PolarHBondContact O-N 2.98Å; L81-N85 PolarHBondContact O-ND2 3.36Å; N85-V110 WeakPolarHBondContact CB-O 3.47Å; N85-V110 PolarHBondContact ND2-O 3.16Å; N85-V110 VanDerWaalsContact ND2-O 3.14Å
86V87Confident84.9Confident10 Ų1057.7 Ų57.76%0.06131%0.306CS..Iπ-helixtrans-109-12.6-178.6-165.70000111.1R82 K88 V110 E112R82-V86 HydrophobicContact CG-CB 4.4Å; R82-V86 CarbonylContact O-C 3.46Å; R82-V86 WeakPolarHBondContact O-CA 3.5Å; R82-V86 VanDerWaalsContact O-CB 3.32Å; R82-V86 WeakPolarHBondContact O-CB 3.26Å; R82-V86 PolarHBondContact O-N 3.09Å; V86-K88 HydrophobicContact CG1-CB 4.42Å; V86-K88 HydrophobicContact CG1-CD 3.7Å; V86-K88 HydrophobicContact CG1-CG 3.93Å; V86-K88 PolarHBondContact O-N 3.13Å; V86-K88 VanDerWaalsContact O-N 3.14Å; V86-V110 VanDerWaalsContact CG2-C 3.42Å; V86-E112 HydrophobicContact CG1-CG 4.22Å
87K83.5Confident84.2Confident193 Ų19363.2 Ų63.284%0.83933%0.33SS*.  trans55.127.9-177.5-56.4-179-177.6176.30113.9R82 R83R82-K87 PolarHBondContact O-N 3.45Å; R82-K87 VanDerWaalsContact O-N 3.17Å; R83-K87 VanDerWaalsContact O-CA 3.27Å; R83-K87 WeakPolarHBondContact O-CA 3.36Å; R83-K87 PolarHBondContact O-N 3.45Å
88K81Confident83.1Confident98 Ų9863.1 Ų63.143%0.42633%0.331SS..  trans-104.3160.3175.8-68.5179.2-174.4172.40111.1R82 R83 V86R82-K88 HydrophobicContact CG-CB 4.43Å; R82-K88 VanDerWaalsContact CZ-CB 3.49Å; R82-K88 VanDerWaalsContact NH1-CB 3.31Å; R83-K88 WeakPolarHBondContact CG-O 3.41Å; V86-K88 HydrophobicContact CG1-CB 4.42Å; V86-K88 HydrophobicContact CG1-CD 3.7Å; V86-K88 HydrophobicContact CG1-CG 3.93Å; V86-K88 PolarHBondContact O-N 3.13Å; V86-K88 VanDerWaalsContact O-N 3.14Å
89G76.3Confident82.3Confident49 Ų4965.2 Ų65.251%0.50535%0.352SS..  trans-64.6-165.7-179.200000115.1R82R82-G89 PolarHBondContact NH1-O 2.97Å
90R78.8Confident81.5Confident183 Ų18368.2 Ų68.269%0.69137%0.368SS*.  trans-70.5138.4178.6-63.1-179.3-178.4177.5-0.3110.7N79N79-R90 WeakPolarHBondContact OD1-CA 3.3Å
91A77.9Confident80.4Confident49 Ų4968.7 Ų68.741%0.40537%0.37SS..  trans-113.3-31.2175.600000112.1N79 I108N79-A91 PolarHBondContact OD1-N 2.92Å; A91-I108 HydrophobicContact CB-CD1 4.11Å; A91-I108 HydrophobicContact CB-CG1 4.29Å; A91-I108 HydrophobicContact CB-CG2 3.72Å
92S80.1Confident79Confident7 Ų777.7 Ų77.75%0.04941%0.41CS..SBendtrans-106.7147175.8-173.30000112.2S75 N79 D120S75-S92 WeakPolarHBondContact CB-OG 3.44Å; S75-S92 PolarHBondContact OG-OG 2.95Å; N79-S92 PolarHBondContact ND2-O 3.32Å; N79-S92 PolarHBondContact OD1-N 2.87Å; N79-S92 VanDerWaalsContact OD1-N 3.09Å; S92-D120 VanDerWaalsContact CB-OD2 3.3Å; S92-D120 WeakPolarHBondContact CB-OD2 3.21Å; S92-D120 PolarHBondContact OG-OD2 2.95Å
93R80.4Confident77.8Confident212 Ų21278.1 Ų78.180%0.842%0.424SS*.  trans-73.5139.8175.6-66.2-177.8-179.2-178.10.4109.6S75 I100S75-R93 WeakPolarHBondContact CB-O 3.37Å; R93-I100 HydrophobicContact CB-CG2 4.02Å
94V78.2Confident76.5Confident72 Ų7279.8 Ų79.844%0.43644%0.439SS..  trans-126.1132.7179-177.90000107.9S76 N79S76-V94 WeakPolarHBondContact OG-CG1 3.46Å; N79-V94 WeakPolarHBondContact ND2-CG2 3.39Å
95G78.1Confident75.4Confident34 Ų3481.1 Ų81.135%0.35144%0.444SS..  trans-156161.9176.300000110.5E97G95-E97 VanDerWaalsContact C-N 3.34Å
96G73.7Confident74.6Confident64 Ų6484.4 Ų84.466%0.6647%0.466SS*.SBendtrans-87.82.2-179.800000114.4N71N71-G96 PolarHBondContact ND2-O 3.31Å
97E78Confident74.5Confident133 Ų13389.5 Ų89.562%0.62149%0.488SS*.SBendtrans-96.6135.2177.6-68-179.1169.700110.4N71 G95 I100N71-E97 PolarHBondContact OD1-O 2.69Å; G95-E97 VanDerWaalsContact C-N 3.34Å; E97-I100 HydrophobicContact CB-CG1 4.49Å; E97-I100 WeakPolarHBondContact O-CG1 3.35Å
98P69.3Low74.7Confident28 Ų2880.9 Ų80.918%0.18245%0.451CS..THydrogen-bonded Turntrans-54.6143170.2-25.633.4000112.1P70 N71 G142 L145P70-P98 HydrophobicContact CB-CB 4.02Å; N71-P98 VanDerWaalsContact ND2-CD 3.3Å; N71-P98 WeakPolarHBondContact ND2-CD 3.49Å; P98-G142 VanDerWaalsContact CG-O 3.24Å; P98-G142 WeakPolarHBondContact CG-O 3.27Å; P98-L145 HydrophobicContact CB-CD2 3.97Å; P98-L145 HydrophobicContact CB-CG 4.23Å; P98-L145 HydrophobicContact CG-CD2 3.93Å; P98-L145 HydrophobicContact CG-CG 4.27Å
99G73.6Confident75.3Confident44 Ų4478.8 Ų78.845%0.45444%0.442SS..THydrogen-bonded Turntrans83.614.7174.100000115.9K102G99-K102 WeakPolarHBondContact O-CG 3.49Å
100I75.4Confident76.1Confident66 Ų6676.4 Ų76.434%0.33842%0.418SS..SBendtrans-59.1-46172.2-70.1-74.8000111.7R93 E97 K102R93-I100 HydrophobicContact CB-CG2 4.02Å; E97-I100 HydrophobicContact CB-CG1 4.49Å; E97-I100 WeakPolarHBondContact O-CG1 3.35Å; I100-K102 PolarHBondContact O-N 3.38Å
101T69.1Low76.7Confident16 Ų1668 Ų6810%0.09839%0.388CS..SBendtrans-83.4101.3171.8-53.20000108.3S75 A103 L105 P122S75-T101 PolarHBondContact OG-OG1 3.34Å; T101-A103 WeakPolarHBondContact CG2-O 3.41Å; T101-L105 HydrophobicContact CG2-CD1 4.17Å; T101-L105 HydrophobicContact CG2-CG 4.16Å; T101-P122 WeakPolarHBondContact O-CA 3.22Å; T101-P122 WeakPolarHBondContact O-CB 3.37Å
102K62.8Low77.3Confident190 Ų19070.6 Ų70.683%0.82639%0.391SS*.  trans-92.5-16.5-172.6-65.6-175.4178.3-174.10115G99 I100G99-K102 WeakPolarHBondContact O-CG 3.49Å; I100-K102 PolarHBondContact O-N 3.38Å
103A65.1Low77.7Confident59 Ų5981.3 Ų81.349%0.48843%0.431SS..SBendtrans-143.3157.7177.600000108.8T101 L105T101-A103 WeakPolarHBondContact CG2-O 3.41Å; A103-L105 PolarHBondContact O-N 3.37Å
104V63.5Low78Confident83 Ų8373.2 Ų73.250%0.50341%0.406SS..  trans-59.9110.8167.2179.80000106.8L119 D120V104-L119 HydrophobicContact CG1-CB 4.35Å; V104-D120 CarbonylContact C-O 3.52Å; V104-D120 VanDerWaalsContact CA-O 3.32Å; V104-D120 WeakPolarHBondContact CA-O 3.4Å
105L64.9Low78.6Confident63 Ų6372.8 Ų72.833%0.3340%0.401SS..  trans-73.5165.7-175.4-64.4175.9000110.5T101 A103 D120T101-L105 HydrophobicContact CG2-CD1 4.17Å; T101-L105 HydrophobicContact CG2-CG 4.16Å; A103-L105 PolarHBondContact O-N 3.37Å; L105-D120 HydrophobicContact CB-CB 4.06Å; L105-D120 HydrophobicContact CD1-CB 4.01Å; L105-D120 HydrophobicContact CG-CB 4.31Å; L105-D120 PolarHBondContact N-O 3.35Å
106T69.3Low79.3Confident119 Ų11971.2 Ų71.273%0.7338%0.384SS*.  trans-50.8153.1174.350.30000112.1I108T106-I108 WeakPolarHBondContact O-CG1 3.12Å; T106-I108 PolarHBondContact O-N 2.91Å
107K85Confident80.2Confident118 Ų11870.8 Ų70.851%0.51336%0.363SS..  trans-54109.9173.5-72.7-178178.7-175.50110.1Y117 L119K107-Y117 HydrophobicContact CB-CD1 3.92Å; K107-Y117 HydrophobicContact CB-CG 4.15Å; K107-L119 HydrophobicContact CG-CD2 3.73Å
108I89.4Confident80.9Confident11 Ų1164.7 Ų64.76%0.05633%0.334CS..EExtended strand (participates in β ladder)trans-91.7116.4177.2-63.3171.9000108.4I78 A91 T106 V110 Y117 L118 D120I78-I108 HydrophobicContact CG2-CB 4.1Å; I78-I108 HydrophobicContact CG2-CD1 3.81Å; I78-I108 HydrophobicContact CG2-CG2 3.8Å; A91-I108 HydrophobicContact CB-CD1 4.11Å; A91-I108 HydrophobicContact CB-CG1 4.29Å; A91-I108 HydrophobicContact CB-CG2 3.72Å; T106-I108 WeakPolarHBondContact O-CG1 3.12Å; T106-I108 PolarHBondContact O-N 2.91Å; I108-V110 HydrophobicContact CG2-CG1 4.29Å; I108-V110 PolarHBondContact O-N 2.95Å; I108-Y117 CarbonylContact O-C 3.58Å; I108-Y117 VanDerWaalsContact O-CA 3.26Å; I108-Y117 WeakPolarHBondContact O-CA 3.22Å; I108-L118 PolarHBondContact N-O 3.11Å; I108-L118 PolarHBondContact O-N 3.24Å; I108-D120 HydrophobicContact CD1-CB 4.42Å
109Q92.4Very high81.9Confident54 Ų5465 Ų6525%0.25234%0.335SS..EExtended strand (participates in β ladder)trans-66.1126.1174.3-168.7-174.5-0.700110.7S111 L115 M116 Y117Q109-S111 PolarHBondContact NE2-O 3.44Å; Q109-L115 HydrophobicContact CG-CD1 4.29Å; Q109-M116 WeakPolarHBondContact CA-O 3.3Å; Q109-Y117 HydrophobicContact CB-CD1 3.85Å; Q109-Y117 HydrophobicContact CB-CE1 3.72Å; Q109-Y117 HydrophobicContact CG-CD1 4.36Å; Q109-Y117 HydrophobicContact CG-CE1 4.05Å
110V92.5Very high82.4Confident0 Ų063 Ų630%031%0.313CS..EExtended strand (participates in β ladder)trans-124.4-3.8-179.1-61.50000114.1I78 L81 N85 V86 I108 M116 L118I78-V110 HydrophobicContact CG2-CG1 4.24Å; L81-V110 HydrophobicContact CB-CB 4.04Å; L81-V110 HydrophobicContact CB-CG1 4.27Å; N85-V110 WeakPolarHBondContact CB-O 3.47Å; N85-V110 PolarHBondContact ND2-O 3.16Å; N85-V110 VanDerWaalsContact ND2-O 3.14Å; V86-V110 VanDerWaalsContact CG2-C 3.42Å; I108-V110 HydrophobicContact CG2-CG1 4.29Å; I108-V110 PolarHBondContact O-N 2.95Å; V110-M116 HydrophobicContact CG2-CB 4.22Å; V110-M116 HydrophobicContact CG2-CG 3.97Å; V110-M116 HydrophobicContact CG2-SD 4.18Å; V110-M116 PolarHBondContact N-O 3.03Å; V110-L118 HydrophobicContact CB-CD1 4.43Å; V110-L118 HydrophobicContact CB-CG 4.3Å; V110-L118 HydrophobicContact CG1-CB 4.13Å; V110-L118 HydrophobicContact CG1-CD1 3.8Å; V110-L118 HydrophobicContact CG1-CG 3.75Å; V110-L118 HydrophobicContact CG2-CD1 4.13Å; V110-L118 HydrophobicContact CG2-CD2 4.35Å; V110-L118 HydrophobicContact CG2-CG 3.67Å
111S92.3Very high82.9Confident7 Ų760.2 Ų60.25%0.04930%0.3CS..EExtended strand (participates in β ladder)trans-153143.4170.8-175.30000109.7Q109 P114 M116Q109-S111 PolarHBondContact NE2-O 3.44Å; S111-P114 CarbonylContact C-O 3.51Å; S111-P114 WeakPolarHBondContact CB-O 3.32Å; S111-P114 PolarHBondContact OG-O 3.14Å; S111-M116 PolarHBondContact N-O 3.25Å; S111-M116 PolarHBondContact O-N 3.19Å; S111-M116 VanDerWaalsContact O-N 3.1Å
112E90.2Very high83.7Confident103 Ų10361.4 Ų61.448%0.48131%0.307SS..THydrogen-bonded Turntrans-91.2-35.7175.3-65.5-177165.800111.7V86 P114 L115V86-E112 HydrophobicContact CG1-CG 4.22Å; E112-P114 CarbonylContact C-O 3.58Å; E112-P114 CarbonylContact O-C 3.58Å; E112-L115 PolarHBondContact O-N 3.43Å
113R87.9Confident84.7Confident232 Ų23253.6 Ų53.688%0.87528%0.281SS*.THydrogen-bonded Turntrans-142.4104.7-178.6-65.3-174-173.6175.42.1109.9
114P88.3Confident85.8Confident42 Ų4255.6 Ų55.627%0.27329%0.287SS..THydrogen-bonded Turncis-67.5156.5-4.229.3-32.7000111.7M45 Y62 S111 E112 M116M45-P114 HydrophobicContact CE-CB 4.32Å; M45-P114 HydrophobicContact CE-CG 3.88Å; M45-P114 HydrophobicContact CG-CG 3.84Å; M45-P114 HydrophobicContact SD-CB 4.3Å; M45-P114 HydrophobicContact SD-CG 3.48Å; M45-P114 WeakPolarHBondContact SD-CG 3.42Å; Y62-P114 HydrophobicContact CD2-CB 3.88Å; Y62-P114 HydrophobicContact CD2-CG 4.32Å; Y62-P114 HydrophobicContact CE2-CB 3.75Å; Y62-P114 HydrophobicContact CE2-CG 4.34Å; S111-P114 CarbonylContact C-O 3.51Å; S111-P114 WeakPolarHBondContact CB-O 3.32Å; S111-P114 PolarHBondContact OG-O 3.14Å; E112-P114 CarbonylContact C-O 3.58Å; E112-P114 CarbonylContact O-C 3.58Å; P114-M116 PolarHBondContact O-N 2.91Å
115L90.6Very high86.9Confident63 Ų6354.3 Ų54.333%0.3328%0.277SS..THydrogen-bonded Turntrans-66.3114176.7-17760.5000109.1D61 Y62 Q109 E112 Y117D61-L115 WeakPolarHBondContact CA-O 3.26Å; D61-L115 HydrophobicContact CB-CD2 4.05Å; D61-L115 HydrophobicContact CB-CG 4.16Å; Y62-L115 PolarHBondContact N-O 3.46Å; Q109-L115 HydrophobicContact CG-CD1 4.29Å; E112-L115 PolarHBondContact O-N 3.43Å; L115-Y117 HydrophobicContact CD1-CE2 4.05Å; L115-Y117 HydrophobicContact CD2-CE2 4.05Å; L115-Y117 HydrophobicContact CG-CE2 3.74Å
116M92.1Very high87.8Confident1 Ų154.6 Ų54.61%0.00528%0.283CS..EExtended strand (participates in β ladder)trans-136.5137.4-173.7-170.7-178.7-73.800112V41 V44 M45 Y62 L64 Q109 V110 S111 P114V41-M116 HydrophobicContact CG1-CE 4Å; V41-M116 HydrophobicContact CG1-SD 4.45Å; V41-M116 HydrophobicContact CG2-SD 4.04Å; V44-M116 HydrophobicContact CG1-CE 4.38Å; M45-M116 HydrophobicContact CG-CE 4.27Å; M45-M116 HydrophobicContact SD-CE 3.97Å; Y62-M116 CarbonylContact O-C 3.44Å; Y62-M116 VanDerWaalsContact O-CA 3.27Å; Y62-M116 WeakPolarHBondContact O-CA 3.34Å; L64-M116 HydrophobicContact CD1-CE 4.18Å; L64-M116 HydrophobicContact CD1-CG 4.03Å; L64-M116 HydrophobicContact CD1-SD 3.53Å; L64-M116 VanDerWaalsContact CD1-SD 3.53Å; Q109-M116 WeakPolarHBondContact CA-O 3.3Å; V110-M116 HydrophobicContact CG2-CB 4.22Å; V110-M116 HydrophobicContact CG2-CG 3.97Å; V110-M116 HydrophobicContact CG2-SD 4.18Å; V110-M116 PolarHBondContact N-O 3.03Å; S111-M116 PolarHBondContact N-O 3.25Å; S111-M116 PolarHBondContact O-N 3.19Å; S111-M116 VanDerWaalsContact O-N 3.1Å; P114-M116 PolarHBondContact O-N 2.91Å
117Y92.6Very high88.5Confident54 Ų5456 Ų5621%0.21229%0.294CS..EExtended strand (participates in β ladder)trans-121.5142.7177.3-57.9-87000110.8D61 Y62 L64 K107 I108 Q109 L115D61-Y117 HydrophobicContact CB-CD2 4.25Å; D61-Y117 HydrophobicContact CB-CE2 3.95Å; Y62-Y117 PolarHBondContact O-N 3.22Å; L64-Y117 PolarHBondContact N-O 3.46Å; K107-Y117 HydrophobicContact CB-CD1 3.92Å; K107-Y117 HydrophobicContact CB-CG 4.15Å; I108-Y117 CarbonylContact O-C 3.58Å; I108-Y117 VanDerWaalsContact O-CA 3.26Å; I108-Y117 WeakPolarHBondContact O-CA 3.22Å; Q109-Y117 HydrophobicContact CB-CD1 3.85Å; Q109-Y117 HydrophobicContact CB-CE1 3.72Å; Q109-Y117 HydrophobicContact CG-CD1 4.36Å; Q109-Y117 HydrophobicContact CG-CE1 4.05Å; L115-Y117 HydrophobicContact CD1-CE2 4.05Å; L115-Y117 HydrophobicContact CD2-CE2 4.05Å; L115-Y117 HydrophobicContact CG-CE2 3.74Å
118L92.4Very high88.7Confident5 Ų558.2 Ų58.23%0.02630%0.303CS..EExtended strand (participates in β ladder)trans-109.8136.5166.7-63.4-175000110.4L64 V66 I78 L81 I108 V110L64-L118 HydrophobicContact CB-CD2 3.59Å; L64-L118 HydrophobicContact CD1-CD2 3.82Å; L64-L118 HydrophobicContact CG-CD2 4.25Å; L64-L118 CarbonylContact O-C 3.5Å; L64-L118 WeakPolarHBondContact O-CA 3.38Å; V66-L118 HydrophobicContact CG2-CB 4.46Å; V66-L118 HydrophobicContact CG2-CD1 3.94Å; V66-L118 HydrophobicContact CG2-CD2 4.26Å; V66-L118 HydrophobicContact CG2-CG 4.44Å; I78-L118 HydrophobicContact CB-CD1 4.4Å; I78-L118 HydrophobicContact CD1-CB 4.47Å; I78-L118 HydrophobicContact CG1-CB 4.16Å; I78-L118 HydrophobicContact CG1-CD1 3.78Å; I78-L118 HydrophobicContact CG2-CB 4.49Å; L81-L118 HydrophobicContact CD1-CD1 3.56Å; I108-L118 PolarHBondContact N-O 3.11Å; I108-L118 PolarHBondContact O-N 3.24Å; V110-L118 HydrophobicContact CB-CD1 4.43Å; V110-L118 HydrophobicContact CB-CG 4.3Å; V110-L118 HydrophobicContact CG1-CB 4.13Å; V110-L118 HydrophobicContact CG1-CD1 3.8Å; V110-L118 HydrophobicContact CG1-CG 3.75Å; V110-L118 HydrophobicContact CG2-CD1 4.13Å; V110-L118 HydrophobicContact CG2-CD2 4.35Å; V110-L118 HydrophobicContact CG2-CG 3.67Å
119L90.1Very high88.7Confident36 Ų3660.6 Ų60.619%0.18832%0.315CS..EExtended strand (participates in β ladder)trans-87.5119.5165.1-59.8176000108.3L64 M65 V66 V104 K107L64-L119 PolarHBondContact O-N 3.15Å; M65-L119 HydrophobicContact CE-CD1 3.84Å; M65-L119 HydrophobicContact CG-CB 4.43Å; V66-L119 PolarHBondContact N-O 3.24Å; V104-L119 HydrophobicContact CG1-CB 4.35Å; K107-L119 HydrophobicContact CG-CD2 3.73Å
120D85.2Confident88.6Confident0 Ų066.7 Ų66.70%034%0.344CS..EExtended strand (participates in β ladder)trans-80.6128.6169.7-161.33.7000109.1S75 I78 S92 V104 L105 I108S75-D120 WeakPolarHBondContact CB-OD2 3.44Å; S75-D120 PolarHBondContact OG-OD1 2.71Å; S75-D120 PolarHBondContact OG-OD2 2.98Å; I78-D120 HydrophobicContact CD1-CB 3.45Å; I78-D120 VanDerWaalsContact CD1-CB 3.45Å; I78-D120 VanDerWaalsContact CD1-CG 3.44Å; I78-D120 WeakPolarHBondContact CD1-OD1 3.49Å; S92-D120 VanDerWaalsContact CB-OD2 3.3Å; S92-D120 WeakPolarHBondContact CB-OD2 3.21Å; S92-D120 PolarHBondContact OG-OD2 2.95Å; V104-D120 CarbonylContact C-O 3.52Å; V104-D120 VanDerWaalsContact CA-O 3.32Å; V104-D120 WeakPolarHBondContact CA-O 3.4Å; L105-D120 HydrophobicContact CB-CB 4.06Å; L105-D120 HydrophobicContact CD1-CB 4.01Å; L105-D120 HydrophobicContact CG-CB 4.31Å; L105-D120 PolarHBondContact N-O 3.35Å; I108-D120 HydrophobicContact CD1-CB 4.42Å
121T86.3Confident88.7Confident9 Ų969.1 Ų69.16%0.05536%0.361CS..  trans-115.4149.6-176.268.70000110.9M65 V66 K74M65-T121 HydrophobicContact CE-CG2 4.38Å; M65-T121 HydrophobicContact CG-CG2 3.39Å; M65-T121 HydrophobicContact SD-CG2 3.79Å; V66-T121 WeakPolarHBondContact O-CG2 3.29Å; V66-T121 PolarHBondContact O-OG1 2.7Å; K74-T121 WeakPolarHBondContact CE-O 3.34Å
122P84.1Confident88.8Confident40 Ų4074.7 Ų74.726%0.2639%0.394SS..  trans-56.6148.9167.525.3-33.3000110T101 V124T101-P122 WeakPolarHBondContact O-CA 3.22Å; T101-P122 WeakPolarHBondContact O-CB 3.37Å; P122-V124 PolarHBondContact O-N 2.68Å
123G85.6Confident89Confident27 Ų2773.9 Ų73.928%0.27839%0.391SS..  trans-67.9128.6171.700000110.9G68G68-G123 VanDerWaalsContact O-CA 3.31Å; G68-G123 WeakPolarHBondContact O-CA 3.2Å
124V87.1Confident89.3Confident101 Ų10165.7 Ų65.761%0.61237%0.366SS*.  trans-115.4120.7179.9-176.10000108.7G68 V69 P122G68-V124 PolarHBondContact O-N 3.38Å; V69-V124 WeakPolarHBondContact CA-O 3.49Å; V69-V124 WeakPolarHBondContact CG1-O 3.36Å; P122-V124 PolarHBondContact O-N 2.68Å
125L86.6Confident89.6Confident55 Ų5564.2 Ų64.229%0.28836%0.359SS..  trans-80.7149.1169.1-80.4167.4000109.9V69 P70 L138 T143 I144V69-L125 HydrophobicContact CB-CD2 4Å; V69-L125 HydrophobicContact CG1-CD2 3.95Å; P70-L125 HydrophobicContact CG-CG 4.45Å; L125-L138 HydrophobicContact CD2-CD1 4.11Å; L125-T143 HydrophobicContact CD2-CG2 3.61Å; L125-T143 HydrophobicContact CG-CG2 4.28Å; L125-I144 HydrophobicContact CD1-CG1 3.86Å
126P84.9Confident89.9Confident69 Ų6962.2 Ų62.245%0.44835%0.348SS..  trans-58.7148169.726.5-33.6000110.2K128P126-K128 PolarHBondContact O-N 3.01Å; P126-K128 VanDerWaalsContact O-N 3.17Å
127P83.3Confident90.1Very high148 Ų14866.9 Ų66.996%0.96137%0.368SS*.SBendtrans-63.5-25-175.225.5-34.8000112.9
128K88.9Confident90.2Very high165 Ų16565.9 Ų65.972%0.71737%0.367SS*.SBendtrans-129.6130.2175.4-173.6176.1179.1-178.10109.1P126P126-K128 PolarHBondContact O-N 3.01Å; P126-K128 VanDerWaalsContact O-N 3.17Å
129I90.5Very high90.3Very high61 Ų6165.7 Ų65.731%0.31337%0.366SS..  trans-87.5123.7167-61172.9000106.8S131 T134 L138 I144I129-S131 VanDerWaalsContact C-N 3.32Å; I129-S131 VanDerWaalsContact CG2-O 3.29Å; I129-S131 WeakPolarHBondContact CG2-O 3.45Å; I129-S131 PolarHBondContact O-N 3.33Å; I129-T134 HydrophobicContact CG2-CG2 4.03Å; I129-L138 HydrophobicContact CD1-CD1 4.28Å; I129-L138 HydrophobicContact CG1-CD1 4.45Å; I129-I144 HydrophobicContact CD1-CD1 3.73Å
130E89.3Confident90.5Very high183 Ų18364.5 Ų64.586%0.85536%0.359SS*.SBendtrans-67.9-30.6-170.2-63.7-179169.100113.6
131S95.1Very high90.9Very high50 Ų5068.4 Ų68.435%0.3539%0.386SS..  trans-147154.7-178.6750000112.3I129 E133 T134 G135I129-S131 VanDerWaalsContact C-N 3.32Å; I129-S131 VanDerWaalsContact CG2-O 3.29Å; I129-S131 WeakPolarHBondContact CG2-O 3.45Å; I129-S131 PolarHBondContact O-N 3.33Å; S131-E133 VanDerWaalsContact C-N 3.26Å; S131-E133 PolarHBondContact O-N 3.41Å; S131-T134 PolarHBondContact O-N 2.68Å; S131-T134 PolarHBondContact OG-N 3.28Å; S131-T134 VanDerWaalsContact OG-N 3.13Å; S131-T134 PolarHBondContact OG-OG1 3.36Å; S131-T134 VanDerWaalsContact OG-OG1 3.07Å; S131-G135 PolarHBondContact O-N 2.89Å
132V93.4Very high91.2Very high124 Ų12468 Ų6875%0.75238%0.384SS*.Hα-helixtrans-58.3-41.4174.4178.40000110.6T134 G135 M136V132-T134 VanDerWaalsContact C-N 3.33Å; V132-T134 PolarHBondContact O-N 2.76Å; V132-G135 WeakPolarHBondContact O-CA 3.24Å; V132-G135 PolarHBondContact O-N 3.42Å; V132-G135 VanDerWaalsContact O-N 3.09Å; V132-M136 HydrophobicContact CG1-CG 4.23Å; V132-M136 WeakPolarHBondContact O-CG 3.42Å; V132-M136 PolarHBondContact O-N 2.51Å
133E94.6Very high91.6Very high87 Ų8766.5 Ų66.541%0.40737%0.374SS..Hα-helixtrans-60.4-42178.5-169.2-174.8175.600112S131 G135 M136 K137S131-E133 VanDerWaalsContact C-N 3.26Å; S131-E133 PolarHBondContact O-N 3.41Å; E133-G135 VanDerWaalsContact C-N 3.34Å; E133-M136 PolarHBondContact O-N 3.41Å; E133-K137 VanDerWaalsContact CD-NZ 3.32Å; E133-K137 HydrophobicContact CG-CD 4.44Å; E133-K137 WeakPolarHBondContact O-CG 3.28Å; E133-K137 PolarHBondContact O-N 2.82Å; E133-K137 VanDerWaalsContact OE1-CE 3.26Å; E133-K137 WeakPolarHBondContact OE1-CE 3.3Å; E133-K137 IonicContact OE1-NZ 3.44Å; E133-K137 PolarHBondContact OE1-NZ 3.03Å
134T94.4Very high91.9Very high59 Ų5966.3 Ų66.336%0.36237%0.366SS..Hα-helixtrans-63.4-42.2174.6-63.60000110.8I129 S131 V132 M136 K137 L138I129-T134 HydrophobicContact CG2-CG2 4.03Å; S131-T134 PolarHBondContact O-N 2.68Å; S131-T134 PolarHBondContact OG-N 3.28Å; S131-T134 VanDerWaalsContact OG-N 3.13Å; S131-T134 PolarHBondContact OG-OG1 3.36Å; S131-T134 VanDerWaalsContact OG-OG1 3.07Å; V132-T134 VanDerWaalsContact C-N 3.33Å; V132-T134 PolarHBondContact O-N 2.76Å; T134-M136 PolarHBondContact O-N 3.44Å; T134-K137 PolarHBondContact O-N 3.23Å; T134-L138 HydrophobicContact CG2-CD1 4.06Å; T134-L138 HydrophobicContact CG2-CG 4.41Å; T134-L138 WeakPolarHBondContact O-CB 3.47Å; T134-L138 VanDerWaalsContact O-CG 3.26Å; T134-L138 WeakPolarHBondContact O-CG 3.3Å; T134-L138 PolarHBondContact O-N 3.47Å
135G95.1Very high92.1Very high12 Ų1264.7 Ų64.712%0.12435%0.354CS..Hα-helixtrans-59.1-46175.200000112.7S131 V132 E133 K137 L138 A139S131-G135 PolarHBondContact O-N 2.89Å; V132-G135 WeakPolarHBondContact O-CA 3.24Å; V132-G135 PolarHBondContact O-N 3.42Å; V132-G135 VanDerWaalsContact O-N 3.09Å; E133-G135 VanDerWaalsContact C-N 3.34Å; G135-K137 PolarHBondContact O-N 3.4Å; G135-L138 PolarHBondContact O-N 3.48Å; G135-A139 WeakPolarHBondContact O-CB 3.5Å; G135-A139 PolarHBondContact O-N 2.83Å
136M96.7Very high92.4Very high21 Ų2163 Ų6310%0.10335%0.345CS..Hα-helixtrans-65.1-39178.2-67-52.3-68.300112.4V132 E133 T134 A139 L140 V149 V153 I154 Y157V132-M136 HydrophobicContact CG1-CG 4.23Å; V132-M136 WeakPolarHBondContact O-CG 3.42Å; V132-M136 PolarHBondContact O-N 2.51Å; E133-M136 PolarHBondContact O-N 3.41Å; T134-M136 PolarHBondContact O-N 3.44Å; M136-A139 PolarHBondContact O-N 2.87Å; M136-L140 VanDerWaalsContact O-CB 3.28Å; M136-L140 WeakPolarHBondContact O-CB 3.43Å; M136-L140 PolarHBondContact O-N 3.09Å; M136-V149 HydrophobicContact CE-CG1 4.2Å; M136-V149 HydrophobicContact SD-CG1 3.72Å; M136-V153 HydrophobicContact CE-CG1 3.8Å; M136-V153 WeakPolarHBondContact CE-O 3.49Å; M136-V153 HydrophobicContact SD-CG1 4.39Å; M136-I154 HydrophobicContact CE-CG1 4.31Å; M136-Y157 HydrophobicContact CB-CD1 3.63Å; M136-Y157 HydrophobicContact CB-CD2 4Å; M136-Y157 HydrophobicContact CB-CE1 3.68Å; M136-Y157 HydrophobicContact CB-CE2 4.06Å; M136-Y157 HydrophobicContact CB-CG 3.78Å; M136-Y157 VanDerWaalsContact CE-CB 3.45Å; M136-Y157 HydrophobicContact CE-CD1 4.38Å; M136-Y157 HydrophobicContact CE-CG 3.94Å; M136-Y157 HydrophobicContact CG-CD2 4.3Å; M136-Y157 HydrophobicContact CG-CG 4.26Å
137K95.3Very high92.7Very high98 Ų9865.6 Ų65.643%0.42635%0.351SS..Hα-helixtrans-64-44.1173.3-72171.7-176.5164.50111.9E133 T134 G135 A139 L140 C141 Y157E133-K137 VanDerWaalsContact CD-NZ 3.32Å; E133-K137 HydrophobicContact CG-CD 4.44Å; E133-K137 WeakPolarHBondContact O-CG 3.28Å; E133-K137 PolarHBondContact O-N 2.82Å; E133-K137 VanDerWaalsContact OE1-CE 3.26Å; E133-K137 WeakPolarHBondContact OE1-CE 3.3Å; E133-K137 IonicContact OE1-NZ 3.44Å; E133-K137 PolarHBondContact OE1-NZ 3.03Å; T134-K137 PolarHBondContact O-N 3.23Å; G135-K137 PolarHBondContact O-N 3.4Å; K137-A139 VanDerWaalsContact C-N 3.35Å; K137-L140 PolarHBondContact O-N 2.85Å; K137-C141 WeakPolarHBondContact O-CB 3.39Å; K137-C141 PolarHBondContact O-N 3.25Å; K137-C141 PolarHBondContact O-SG 3.34Å; K137-C141 VanDerWaalsContact O-SG 3.41Å; K137-Y157 WeakPolarHBondContact CE-OH 3.4Å; K137-Y157 HydrophobicContact CG-CE1 4.2Å; K137-Y157 WeakPolarHBondContact CG-OH 3.38Å
138L94.6Very high93.1Very high34 Ų3464.3 Ų64.318%0.17834%0.335CS..Hα-helixtrans-62.6-42.4176-71.1171.9000111.4L125 I129 T134 G135 C141 G142 T143 I144L125-L138 HydrophobicContact CD2-CD1 4.11Å; I129-L138 HydrophobicContact CD1-CD1 4.28Å; I129-L138 HydrophobicContact CG1-CD1 4.45Å; T134-L138 HydrophobicContact CG2-CD1 4.06Å; T134-L138 HydrophobicContact CG2-CG 4.41Å; T134-L138 WeakPolarHBondContact O-CB 3.47Å; T134-L138 VanDerWaalsContact O-CG 3.26Å; T134-L138 WeakPolarHBondContact O-CG 3.3Å; T134-L138 PolarHBondContact O-N 3.47Å; G135-L138 PolarHBondContact O-N 3.48Å; L138-C141 PolarHBondContact O-N 3.14Å; L138-G142 PolarHBondContact O-N 3.02Å; L138-T143 HydrophobicContact CD2-CG2 4.12Å; L138-T143 VanDerWaalsContact O-CB 3.3Å; L138-T143 WeakPolarHBondContact O-CB 3.29Å; L138-T143 PolarHBondContact O-N 3.08Å; L138-I144 HydrophobicContact CB-CD1 3.83Å; L138-I144 HydrophobicContact CB-CG1 4.13Å
139A95Very high93.4Very high0 Ų058.7 Ų58.70%032%0.315CS..Hα-helixtrans-62.1-47.1174.200000110.9G135 M136 K137 C141 G142 I144 V149 I154 R228G135-A139 WeakPolarHBondContact O-CB 3.5Å; G135-A139 PolarHBondContact O-N 2.83Å; M136-A139 PolarHBondContact O-N 2.87Å; K137-A139 VanDerWaalsContact C-N 3.35Å; A139-C141 VanDerWaalsContact C-N 3.32Å; A139-C141 PolarHBondContact O-N 2.84Å; A139-G142 WeakPolarHBondContact O-CA 3.43Å; A139-G142 PolarHBondContact O-N 2.67Å; A139-I144 HydrophobicContact CB-CB 4.42Å; A139-V149 HydrophobicContact CB-CG1 4.49Å; A139-V149 HydrophobicContact CB-CG2 3.93Å; A139-I154 HydrophobicContact CB-CD1 3.93Å; A139-I154 HydrophobicContact CB-CG1 3.98Å; A139-R228 PolarHBondContact O-NH2 2.67Å
140L95.3Very high93.6Very high11 Ų1156.3 Ų56.36%0.05831%0.306CS..Hα-helixtrans-61.4-38.9179.3-174.360.1000112.6M136 K137 G142 I154 Y157 L158 I224 F227 R228M136-L140 VanDerWaalsContact O-CB 3.28Å; M136-L140 WeakPolarHBondContact O-CB 3.43Å; M136-L140 PolarHBondContact O-N 3.09Å; K137-L140 PolarHBondContact O-N 2.85Å; L140-G142 PolarHBondContact O-N 3.39Å; L140-I154 HydrophobicContact CB-CG2 4.35Å; L140-I154 HydrophobicContact CD1-CG2 3.91Å; L140-Y157 HydrophobicContact CD2-CD1 4.39Å; L140-Y157 HydrophobicContact CD2-CE1 4.44Å; L140-L158 HydrophobicContact CD1-CB 3.85Å; L140-L158 HydrophobicContact CD1-CD1 4.09Å; L140-L158 HydrophobicContact CD1-CD2 4.14Å; L140-L158 HydrophobicContact CD1-CG 4.23Å; L140-L158 HydrophobicContact CD2-CB 4.4Å; L140-L158 HydrophobicContact CD2-CD1 3.99Å; L140-I224 HydrophobicContact CD1-CG2 4.46Å; L140-F227 HydrophobicContact CD1-CD1 3.7Å; L140-F227 HydrophobicContact CD1-CE1 4.04Å; L140-F227 HydrophobicContact CD1-CG 4.32Å; L140-F227 HydrophobicContact CD2-CD1 4.19Å; L140-F227 HydrophobicContact CD2-CE1 3.74Å; L140-F227 HydrophobicContact CD2-CE2 4.49Å; L140-F227 HydrophobicContact CD2-CZ 3.89Å; L140-F227 HydrophobicContact CG-CD1 3.69Å; L140-F227 HydrophobicContact CG-CE1 3.46Å; L140-F227 VanDerWaalsContact CG-CE1 3.46Å; L140-F227 HydrophobicContact CG-CZ 4.15Å; L140-R228 WeakPolarHBondContact O-CG 3.39Å; L140-R228 PolarHBondContact O-NE 2.87Å
141C93.5Very high93.9Very high82 Ų8249.8 Ų49.855%0.55428%0.275SS*.THydrogen-bonded Turntrans-73.50.8171.9-66.50000114.3K137 L138 A139 T143K137-C141 WeakPolarHBondContact O-CB 3.39Å; K137-C141 PolarHBondContact O-N 3.25Å; K137-C141 PolarHBondContact O-SG 3.34Å; K137-C141 VanDerWaalsContact O-SG 3.41Å; L138-C141 PolarHBondContact O-N 3.14Å; A139-C141 VanDerWaalsContact C-N 3.32Å; A139-C141 PolarHBondContact O-N 2.84Å; C141-T143 VanDerWaalsContact C-N 3.31Å; C141-T143 PolarHBondContact O-N 3.29Å
142G92.6Very high93.9Very high2 Ų251.5 Ų51.52%0.02128%0.28CS..THydrogen-bonded Turntrans71.921.8178.800000113.5N71 P98 L138 A139 L140 R228N71-G142 PolarHBondContact ND2-O 2.89Å; P98-G142 VanDerWaalsContact CG-O 3.24Å; P98-G142 WeakPolarHBondContact CG-O 3.27Å; L138-G142 PolarHBondContact O-N 3.02Å; A139-G142 WeakPolarHBondContact O-CA 3.43Å; A139-G142 PolarHBondContact O-N 2.67Å; L140-G142 PolarHBondContact O-N 3.39Å; G142-R228 VanDerWaalsContact CA-CZ 3.49Å
143T92.8Very high94.1Very high8 Ų848.9 Ų48.95%0.04927%0.265CS..SBendtrans-78-27.4176.2-55.20000111.9V69 P70 L125 L138 C141V69-T143 HydrophobicContact CB-CG2 3.6Å; V69-T143 HydrophobicContact CG2-CG2 3.48Å; V69-T143 VanDerWaalsContact CG2-CG2 3.48Å; P70-T143 HydrophobicContact CB-CG2 4.14Å; P70-T143 WeakPolarHBondContact CB-O 3.47Å; P70-T143 HydrophobicContact CG-CG2 4.25Å; P70-T143 WeakPolarHBondContact O-CG2 3.41Å; P70-T143 PolarHBondContact O-OG1 2.76Å; L125-T143 HydrophobicContact CD2-CG2 3.61Å; L125-T143 HydrophobicContact CG-CG2 4.28Å; L138-T143 HydrophobicContact CD2-CG2 4.12Å; L138-T143 VanDerWaalsContact O-CB 3.3Å; L138-T143 WeakPolarHBondContact O-CB 3.29Å; L138-T143 PolarHBondContact O-N 3.08Å; C141-T143 VanDerWaalsContact C-N 3.31Å; C141-T143 PolarHBondContact O-N 3.29Å
144I92Very high94.3Very high22 Ų2244.8 Ų44.811%0.11325%0.245CC..SBendtrans-108.1147.1175.1-57.4172.4000107.7L125 I129 L138 A139 D146 V149L125-I144 HydrophobicContact CD1-CG1 3.86Å; I129-I144 HydrophobicContact CD1-CD1 3.73Å; L138-I144 HydrophobicContact CB-CD1 3.83Å; L138-I144 HydrophobicContact CB-CG1 4.13Å; A139-I144 HydrophobicContact CB-CB 4.42Å; I144-D146 PolarHBondContact O-N 3.25Å; I144-V149 HydrophobicContact CG2-CG2 4Å
145L90.1Very high94.4Very high68 Ų6842 Ų4236%0.35623%0.228SC..  trans-65.5127.5176.3-67.5166.1000110.3P98 H147 L148P98-L145 HydrophobicContact CB-CD2 3.97Å; P98-L145 HydrophobicContact CB-CG 4.23Å; P98-L145 HydrophobicContact CG-CD2 3.93Å; P98-L145 HydrophobicContact CG-CG 4.27Å; L145-H147 PolarHBondContact O-N 2.83Å; L145-L148 HydrophobicContact CB-CD1 3.92Å; L145-L148 HydrophobicContact CB-CG 3.99Å; L145-L148 HydrophobicContact CD1-CD1 4.18Å; L145-L148 WeakPolarHBondContact O-CB 3.28Å; L145-L148 PolarHBondContact O-N 3.36Å
146D92.8Very high94.6Very high19 Ų1944.6 Ų44.610%0.10224%0.239CC..Hα-helixtrans-56.6-46-170.5-61.2-8.1000112.8I144 L148 V149 G150 E151 I154 R228I144-D146 PolarHBondContact O-N 3.25Å; D146-L148 PolarHBondContact O-N 3.28Å; D146-L148 VanDerWaalsContact O-N 3.13Å; D146-V149 PolarHBondContact O-N 3.06Å; D146-G150 PolarHBondContact O-N 3.45Å; D146-E151 HydrophobicContact CB-CG 4.07Å; D146-I154 HydrophobicContact CB-CD1 4.06Å; D146-R228 IonicContact OD1-CZ 3.27Å; D146-R228 IonicContact OD1-NH1 2.94Å; D146-R228 PolarHBondContact OD1-NH1 2.94Å; D146-R228 IonicContact OD1-NH2 2.61Å; D146-R228 PolarHBondContact OD1-NH2 3.33Å; D146-R228 IonicContact OD2-CZ 2.8Å; D146-R228 IonicContact OD2-NH1 2.67Å; D146-R228 PolarHBondContact OD2-NH1 2.89Å; D146-R228 IonicContact OD2-NH2 3.43Å; D146-R228 PolarHBondContact OD2-NH2 3.36Å
147H91.6Very high94.7Very high124 Ų12445.2 Ų45.257%0.57424%0.241SC*.Hα-helixtrans-63.3-18.5179.768.6-92.3000114.6L145 V149L145-H147 PolarHBondContact O-N 2.83Å; H147-V149 VanDerWaalsContact C-N 3.29Å
148L91.5Very high94.8Very high120 Ų12040.7 Ų40.763%0.62822%0.221SC*.Hα-helixtrans-75.2-23.2175.2-64.9179.3000112.1L145 D146L145-L148 HydrophobicContact CB-CD1 3.92Å; L145-L148 HydrophobicContact CB-CG 3.99Å; L145-L148 HydrophobicContact CD1-CD1 4.18Å; L145-L148 WeakPolarHBondContact O-CB 3.28Å; L145-L148 PolarHBondContact O-N 3.36Å; D146-L148 PolarHBondContact O-N 3.28Å; D146-L148 VanDerWaalsContact O-N 3.13Å
149V94.3Very high95Very high47 Ų4739 Ų3929%0.28521%0.213SC..Hα-helixtrans-103.1-36.2178.9-176.20000110.9M136 A139 I144 D146 H147 I154M136-V149 HydrophobicContact CE-CG1 4.2Å; M136-V149 HydrophobicContact SD-CG1 3.72Å; A139-V149 HydrophobicContact CB-CG1 4.49Å; A139-V149 HydrophobicContact CB-CG2 3.93Å; I144-V149 HydrophobicContact CG2-CG2 4Å; D146-V149 PolarHBondContact O-N 3.06Å; H147-V149 VanDerWaalsContact C-N 3.29Å; V149-I154 HydrophobicContact CB-CD1 3.99Å; V149-I154 HydrophobicContact CB-CG1 4.03Å; V149-I154 HydrophobicContact CG1-CD1 4.3Å; V149-I154 HydrophobicContact CG1-CG1 3.78Å
150G95.6Very high95.2Very high12 Ų1243.5 Ų43.512%0.12423%0.232CC..  trans104.4119.4-171.600000110.7D146 D152 V153 I154D146-G150 PolarHBondContact O-N 3.45Å; G150-D152 VanDerWaalsContact C-N 3.27Å; G150-D152 PolarHBondContact O-N 3.17Å; G150-V153 PolarHBondContact O-N 3.14Å; G150-I154 WeakPolarHBondContact O-CG1 3.09Å; G150-I154 PolarHBondContact O-N 3Å
151E95.4Very high95.3Very high45 Ų4544.1 Ų44.121%0.2124%0.237CC..Hα-helixtrans-61.3-36.5-179.7-68.181.7172.900112D146 A155 A220 I224D146-E151 HydrophobicContact CB-CG 4.07Å; E151-A155 WeakPolarHBondContact O-CB 3.35Å; E151-A155 PolarHBondContact O-N 2.92Å; E151-A220 HydrophobicContact CB-CB 4.04Å; E151-I224 HydrophobicContact CB-CD1 4.23Å; E151-I224 VanDerWaalsContact O-CD1 3.31Å; E151-I224 WeakPolarHBondContact O-CD1 3.41Å
152D95.5Very high95.5Very high87 Ų8741.8 Ų41.847%0.46522%0.219SC..Hα-helixtrans-64.3-42.9174.859.1-29.2000112G150 A155 D156G150-D152 VanDerWaalsContact C-N 3.27Å; G150-D152 PolarHBondContact O-N 3.17Å; D152-A155 PolarHBondContact O-N 3.21Å; D152-D156 WeakPolarHBondContact O-CB 3.48Å; D152-D156 PolarHBondContact O-N 2.83Å
153V97.3Very high95.7Very high69 Ų6943.2 Ų43.242%0.41823%0.226SC..Hα-helixtrans-65.3-42.8177.2-173.90000111.4M136 G150 D156 Y157M136-V153 HydrophobicContact CE-CG1 3.8Å; M136-V153 WeakPolarHBondContact CE-O 3.49Å; M136-V153 HydrophobicContact SD-CG1 4.39Å; G150-V153 PolarHBondContact O-N 3.14Å; V153-D156 PolarHBondContact O-N 2.92Å; V153-Y157 PolarHBondContact O-N 3.18Å
154I98.1Very high95.9Very high0 Ų051.1 Ų51.10%026%0.255CS..Hα-helixtrans-65.2-41.6175.6-61.1164.5000110.5M136 A139 L140 D146 V149 G150 Y157 L158 I224M136-I154 HydrophobicContact CE-CG1 4.31Å; A139-I154 HydrophobicContact CB-CD1 3.93Å; A139-I154 HydrophobicContact CB-CG1 3.98Å; L140-I154 HydrophobicContact CB-CG2 4.35Å; L140-I154 HydrophobicContact CD1-CG2 3.91Å; D146-I154 HydrophobicContact CB-CD1 4.06Å; V149-I154 HydrophobicContact CB-CD1 3.99Å; V149-I154 HydrophobicContact CB-CG1 4.03Å; V149-I154 HydrophobicContact CG1-CD1 4.3Å; V149-I154 HydrophobicContact CG1-CG1 3.78Å; G150-I154 WeakPolarHBondContact O-CG1 3.09Å; G150-I154 PolarHBondContact O-N 3Å; I154-Y157 PolarHBondContact O-N 3.15Å; I154-L158 WeakPolarHBondContact O-CB 3.27Å; I154-L158 PolarHBondContact O-N 3.42Å; I154-I224 HydrophobicContact CB-CD1 3.69Å; I154-I224 HydrophobicContact CB-CG1 4.36Å; I154-I224 HydrophobicContact CG2-CD1 3.66Å; I154-I224 HydrophobicContact CG2-CG1 3.87Å; I154-I224 HydrophobicContact CG2-CG2 4.28Å
155A98.3Very high96.1Very high0 Ų056 Ų560%028%0.281CS..Hα-helixtrans-64.3-40178.800000112.1E151 D152 L158 L159 I183 L187 A220 F223 I224E151-A155 WeakPolarHBondContact O-CB 3.35Å; E151-A155 PolarHBondContact O-N 2.92Å; D152-A155 PolarHBondContact O-N 3.21Å; A155-L158 WeakPolarHBondContact O-CB 3.21Å; A155-L158 PolarHBondContact O-N 3.12Å; A155-L159 PolarHBondContact O-N 3.28Å; A155-I183 HydrophobicContact CB-CD1 4.04Å; A155-L187 HydrophobicContact CB-CD2 4.33Å; A155-A220 HydrophobicContact CB-CB 3.88Å; A155-F223 HydrophobicContact CB-CD1 4.04Å; A155-I224 HydrophobicContact CB-CD1 4.35Å; A155-I224 HydrophobicContact CB-CG1 4.27Å
156D98.3Very high96.4Very high68 Ų6854.7 Ų54.736%0.36428%0.284SS..Hα-helixtrans-63.7-47.4174.6-171.135000111.3D152 V153 L158 L159 F160 I183D152-D156 WeakPolarHBondContact O-CB 3.48Å; D152-D156 PolarHBondContact O-N 2.83Å; V153-D156 PolarHBondContact O-N 2.92Å; D156-L158 VanDerWaalsContact C-N 3.28Å; D156-L158 PolarHBondContact O-N 3.16Å; D156-L159 WeakPolarHBondContact O-CB 3.12Å; D156-L159 PolarHBondContact O-N 3.07Å; D156-L159 VanDerWaalsContact O-N 3.08Å; D156-F160 PolarHBondContact O-N 2.85Å; D156-I183 HydrophobicContact CB-CB 4.06Å; D156-I183 HydrophobicContact CB-CG1 3.95Å; D156-I183 HydrophobicContact CB-CG2 4.09Å; D156-I183 WeakPolarHBondContact OD1-CB 3.46Å
157Y98.4Very high96.5Very high34 Ų3460 Ų6013%0.13331%0.306CS..Hα-helixtrans-60.5-36.7175.1179.1-103.3000113.2M136 K137 L140 V153 I154 F160 S161M136-Y157 HydrophobicContact CB-CD1 3.63Å; M136-Y157 HydrophobicContact CB-CD2 4Å; M136-Y157 HydrophobicContact CB-CE1 3.68Å; M136-Y157 HydrophobicContact CB-CE2 4.06Å; M136-Y157 HydrophobicContact CB-CG 3.78Å; M136-Y157 VanDerWaalsContact CE-CB 3.45Å; M136-Y157 HydrophobicContact CE-CD1 4.38Å; M136-Y157 HydrophobicContact CE-CG 3.94Å; M136-Y157 HydrophobicContact CG-CD2 4.3Å; M136-Y157 HydrophobicContact CG-CG 4.26Å; K137-Y157 WeakPolarHBondContact CE-OH 3.4Å; K137-Y157 HydrophobicContact CG-CE1 4.2Å; K137-Y157 WeakPolarHBondContact CG-OH 3.38Å; L140-Y157 HydrophobicContact CD2-CD1 4.39Å; L140-Y157 HydrophobicContact CD2-CE1 4.44Å; V153-Y157 PolarHBondContact O-N 3.18Å; I154-Y157 PolarHBondContact O-N 3.15Å; Y157-F160 HydrophobicContact CD2-CD1 4.36Å; Y157-F160 HydrophobicContact CE2-CD1 4.39Å; Y157-S161 VanDerWaalsContact O-CB 3.27Å; Y157-S161 WeakPolarHBondContact O-CB 3.41Å; Y157-S161 PolarHBondContact O-N 3.13Å; Y157-S161 PolarHBondContact O-OG 2.99Å
158L98.4Very high96.8Very high2 Ų258.5 Ų58.51%0.0130%0.298CS..Hα-helixtrans-62.8-47.1173171.959.7000111L140 I154 A155 D156 S161 L162 F223 F227L140-L158 HydrophobicContact CD1-CB 3.85Å; L140-L158 HydrophobicContact CD1-CD1 4.09Å; L140-L158 HydrophobicContact CD1-CD2 4.14Å; L140-L158 HydrophobicContact CD1-CG 4.23Å; L140-L158 HydrophobicContact CD2-CB 4.4Å; L140-L158 HydrophobicContact CD2-CD1 3.99Å; I154-L158 WeakPolarHBondContact O-CB 3.27Å; I154-L158 PolarHBondContact O-N 3.42Å; A155-L158 WeakPolarHBondContact O-CB 3.21Å; A155-L158 PolarHBondContact O-N 3.12Å; D156-L158 VanDerWaalsContact C-N 3.28Å; D156-L158 PolarHBondContact O-N 3.16Å; L158-S161 PolarHBondContact O-N 3.02Å; L158-L162 HydrophobicContact CD1-CD1 3.84Å; L158-L162 HydrophobicContact CD1-CD2 4.44Å; L158-L162 HydrophobicContact CD1-CG 3.88Å; L158-L162 HydrophobicContact CG-CD1 3.98Å; L158-L162 HydrophobicContact CG-CG 4.42Å; L158-L162 WeakPolarHBondContact O-CB 3.43Å; L158-L162 VanDerWaalsContact O-CG 3.29Å; L158-L162 WeakPolarHBondContact O-CG 3.43Å; L158-L162 PolarHBondContact O-N 3.3Å; L158-F223 HydrophobicContact CB-CE1 4.34Å; L158-F223 HydrophobicContact CD2-CD1 3.91Å; L158-F223 HydrophobicContact CD2-CD2 4.31Å; L158-F223 HydrophobicContact CD2-CE1 3.8Å; L158-F223 HydrophobicContact CD2-CE2 4.21Å; L158-F223 HydrophobicContact CD2-CG 4.17Å; L158-F223 HydrophobicContact CD2-CZ 3.96Å; L158-F223 HydrophobicContact CG-CE1 3.96Å; L158-F223 HydrophobicContact CG-CZ 4.08Å; L158-F227 HydrophobicContact CD1-CB 4.05Å; L158-F227 HydrophobicContact CD1-CD1 4.41Å; L158-F227 HydrophobicContact CD1-CD2 3.48Å; L158-F227 VanDerWaalsContact CD1-CD2 3.48Å; L158-F227 HydrophobicContact CD1-CE2 4.01Å; L158-F227 HydrophobicContact CD1-CG 3.71Å; L158-F227 HydrophobicContact CD2-CB 3.7Å; L158-F227 HydrophobicContact CD2-CG 4.22Å
159L98.6Very high97Very high0 Ų055.2 Ų55.20%029%0.294CS..Hα-helixtrans-59-51.3177.8-179.761.3000111.2A155 D156 S161 L162 N163 Y170 S180 I183 V186 F223A155-L159 PolarHBondContact O-N 3.28Å; D156-L159 WeakPolarHBondContact O-CB 3.12Å; D156-L159 PolarHBondContact O-N 3.07Å; D156-L159 VanDerWaalsContact O-N 3.08Å; L159-S161 VanDerWaalsContact C-N 3.29Å; L159-S161 PolarHBondContact O-N 3.3Å; L159-L162 PolarHBondContact O-N 3.46Å; L159-N163 WeakPolarHBondContact O-CB 3.16Å; L159-N163 PolarHBondContact O-N 3.44Å; L159-Y170 HydrophobicContact CD1-CD1 4.47Å; L159-Y170 HydrophobicContact CD1-CD2 4.34Å; L159-Y170 HydrophobicContact CD1-CE1 3.87Å; L159-Y170 HydrophobicContact CD1-CE2 3.75Å; L159-Y170 VanDerWaalsContact CD1-CZ 3.47Å; L159-S180 WeakPolarHBondContact CD1-O 3.28Å; L159-I183 HydrophobicContact CB-CD1 4.31Å; L159-I183 HydrophobicContact CD2-CB 4.22Å; L159-I183 HydrophobicContact CD2-CD1 4.11Å; L159-V186 HydrophobicContact CD1-CG2 4.12Å; L159-V186 HydrophobicContact CD2-CB 4.3Å; L159-V186 HydrophobicContact CD2-CG2 3.71Å; L159-F223 HydrophobicContact CB-CE1 4.25Å
160F98.1Very high97.1Very high94 Ų9453.4 Ų53.441%0.41228%0.282SS..Hα-helixtrans-52.5-47.7174.4167.8-101.1000111.7D156 Y157 N163 R164D156-F160 PolarHBondContact O-N 2.85Å; Y157-F160 HydrophobicContact CD2-CD1 4.36Å; Y157-F160 HydrophobicContact CE2-CD1 4.39Å; F160-N163 PolarHBondContact O-N 2.8Å; F160-R164 VanDerWaalsContact O-CB 3.3Å; F160-R164 WeakPolarHBondContact O-CB 3.46Å; F160-R164 PolarHBondContact O-N 3.27Å
161S97.6Very high97.2Very high24 Ų2453.8 Ų53.817%0.16828%0.282CS..Hα-helixtrans-65.2-41.7-178.8-62.90000112.3Y157 L158 L159 L165Y157-S161 VanDerWaalsContact O-CB 3.27Å; Y157-S161 WeakPolarHBondContact O-CB 3.41Å; Y157-S161 PolarHBondContact O-N 3.13Å; Y157-S161 PolarHBondContact O-OG 2.99Å; L158-S161 PolarHBondContact O-N 3.02Å; L159-S161 VanDerWaalsContact C-N 3.29Å; L159-S161 PolarHBondContact O-N 3.3Å; S161-L165 WeakPolarHBondContact O-CB 3.31Å; S161-L165 VanDerWaalsContact O-CG 3.22Å; S161-L165 WeakPolarHBondContact O-CG 3.32Å; S161-L165 PolarHBondContact O-N 2.88Å; S161-L165 VanDerWaalsContact O-N 3.11Å
162L97.4Very high97.3Very high32 Ų3259.5 Ų59.517%0.16831%0.309CS..Hα-helixtrans-63.7-47176.4-72.8172.3000111.2L158 L159 L165 G166 K167 Y170 F223L158-L162 HydrophobicContact CD1-CD1 3.84Å; L158-L162 HydrophobicContact CD1-CD2 4.44Å; L158-L162 HydrophobicContact CD1-CG 3.88Å; L158-L162 HydrophobicContact CG-CD1 3.98Å; L158-L162 HydrophobicContact CG-CG 4.42Å; L158-L162 WeakPolarHBondContact O-CB 3.43Å; L158-L162 VanDerWaalsContact O-CG 3.29Å; L158-L162 WeakPolarHBondContact O-CG 3.43Å; L158-L162 PolarHBondContact O-N 3.3Å; L159-L162 PolarHBondContact O-N 3.46Å; L162-L165 CarbonylContact O-C 3.51Å; L162-L165 PolarHBondContact O-N 3.31Å; L162-G166 PolarHBondContact O-N 3.2Å; L162-G166 VanDerWaalsContact O-N 3.16Å; L162-K167 HydrophobicContact CB-CB 4.46Å; L162-K167 HydrophobicContact CD2-CB 3.78Å; L162-K167 PolarHBondContact O-N 3.37Å; L162-Y170 HydrophobicContact CB-CD1 4.36Å; L162-Y170 HydrophobicContact CB-CE1 4.39Å; L162-Y170 HydrophobicContact CD1-CD1 4.01Å; L162-F223 HydrophobicContact CD1-CE2 4.39Å; L162-F223 HydrophobicContact CD1-CZ 3.96Å
163N97.9Very high97.3Very high32 Ų3260.9 Ų60.917%0.17131%0.31CS..Hα-helixtrans-60.4-48.4178.1-73.5-13.5000111.3L159 F160 L165 G166 Y170 S180 D181L159-N163 WeakPolarHBondContact O-CB 3.16Å; L159-N163 PolarHBondContact O-N 3.44Å; F160-N163 PolarHBondContact O-N 2.8Å; N163-L165 PolarHBondContact O-N 2.91Å; N163-G166 PolarHBondContact O-N 2.67Å; N163-Y170 WeakPolarHBondContact OD1-CE1 3.44Å; N163-Y170 PolarHBondContact OD1-OH 3.01Å; N163-S180 PolarHBondContact ND2-O 2.85Å; N163-D181 PolarHBondContact ND2-OD1 2.81Å
164R97.1Very high97.3Very high175 Ų17558 Ų5866%0.6629%0.292SS*.Hα-helixtrans-59.7-32.5177.8-178.6179.3167-161.2-2.1113.1F160 G166F160-R164 VanDerWaalsContact O-CB 3.3Å; F160-R164 WeakPolarHBondContact O-CB 3.46Å; F160-R164 PolarHBondContact O-N 3.27Å; R164-G166 VanDerWaalsContact C-N 3.34Å
165L95.3Very high97.1Very high123 Ų12362.3 Ų62.364%0.64432%0.315SS*.THydrogen-bonded Turntrans-88.21.2178-66.9172.5000113.4S161 L162 N163 K167S161-L165 WeakPolarHBondContact O-CB 3.31Å; S161-L165 VanDerWaalsContact O-CG 3.22Å; S161-L165 WeakPolarHBondContact O-CG 3.32Å; S161-L165 PolarHBondContact O-N 2.88Å; S161-L165 VanDerWaalsContact O-N 3.11Å; L162-L165 CarbonylContact O-C 3.51Å; L162-L165 PolarHBondContact O-N 3.31Å; N163-L165 PolarHBondContact O-N 2.91Å; L165-K167 HydrophobicContact CB-CG 3.81Å; L165-K167 PolarHBondContact O-N 2.92Å
166G96.4Very high97.1Very high42 Ų4263 Ų6343%0.43332%0.319SS..THydrogen-bonded Turntrans65.326.1-175.400000113.5L162 N163 R164 F168L162-G166 PolarHBondContact O-N 3.2Å; L162-G166 VanDerWaalsContact O-N 3.16Å; N163-G166 PolarHBondContact O-N 2.67Å; R164-G166 VanDerWaalsContact C-N 3.34Å; G166-F168 PolarHBondContact O-N 3.25Å
167K95.6Very high96.9Very high130 Ų13068.4 Ų68.457%0.56534%0.342SS*.  trans-98.679.9-176-62.6-62.4-177-178.70110.7L162 L165 G169L162-K167 HydrophobicContact CB-CB 4.46Å; L162-K167 HydrophobicContact CD2-CB 3.78Å; L162-K167 PolarHBondContact O-N 3.37Å; L165-K167 HydrophobicContact CB-CG 3.81Å; L165-K167 PolarHBondContact O-N 2.92Å; K167-G169 VanDerWaalsContact C-N 3.32Å; K167-G169 PolarHBondContact O-N 3.07Å
168F97.1Very high96.8Very high92 Ų9273.4 Ų73.440%0.40437%0.366SS..THydrogen-bonded Turntrans-88.717.3-174.4-52.1-62.5000115.2G166 Y170 V171 P179G166-F168 PolarHBondContact O-N 3.25Å; F168-Y170 HydrophobicContact CD1-CE1 4.23Å; F168-Y170 PolarHBondContact O-N 2.98Å; F168-V171 HydrophobicContact CB-CG2 4.08Å; F168-V171 VanDerWaalsContact O-CB 3.28Å; F168-V171 WeakPolarHBondContact O-CB 3.42Å; F168-V171 WeakPolarHBondContact O-CG2 3.47Å; F168-V171 PolarHBondContact O-N 3.11Å; F168-P179 HydrophobicContact CB-CG 4.17Å; F168-P179 HydrophobicContact CD1-CB 3.5Å; F168-P179 HydrophobicContact CD1-CG 3.39Å; F168-P179 HydrophobicContact CD2-CG 4.24Å; F168-P179 HydrophobicContact CE1-CB 3.62Å; F168-P179 HydrophobicContact CE1-CG 3.72Å; F168-P179 HydrophobicContact CG-CB 4.29Å; F168-P179 HydrophobicContact CG-CG 3.67Å; F168-P179 HydrophobicContact CZ-CB 4.5Å; F168-P179 HydrophobicContact CZ-CG 4.28Å
169G96.4Very high96.8Very high52 Ų5276.2 Ų76.254%0.53639%0.385SS..Hα-helixtrans-60-19.5-178.600000114.4K167 V171 K173K167-G169 VanDerWaalsContact C-N 3.32Å; K167-G169 PolarHBondContact O-N 3.07Å; G169-V171 VanDerWaalsContact C-N 3.27Å; G169-V171 PolarHBondContact O-N 3.22Å; G169-K173 VanDerWaalsContact O-CB 3.29Å; G169-K173 WeakPolarHBondContact O-CB 3.42Å; G169-K173 PolarHBondContact O-N 2.86Å; G169-K173 VanDerWaalsContact O-N 3.15Å
170Y96.9Very high96.7Very high9 Ų977.4 Ų77.44%0.03539%0.393CS..Hα-helixtrans-68-26.5173.473.3-93.5000112.9L159 L162 N163 F168 K173 Y174 L176 P179 S180 V186L159-Y170 HydrophobicContact CD1-CD1 4.47Å; L159-Y170 HydrophobicContact CD1-CD2 4.34Å; L159-Y170 HydrophobicContact CD1-CE1 3.87Å; L159-Y170 HydrophobicContact CD1-CE2 3.75Å; L159-Y170 VanDerWaalsContact CD1-CZ 3.47Å; L162-Y170 HydrophobicContact CB-CD1 4.36Å; L162-Y170 HydrophobicContact CB-CE1 4.39Å; L162-Y170 HydrophobicContact CD1-CD1 4.01Å; N163-Y170 WeakPolarHBondContact OD1-CE1 3.44Å; N163-Y170 PolarHBondContact OD1-OH 3.01Å; F168-Y170 HydrophobicContact CD1-CE1 4.23Å; F168-Y170 PolarHBondContact O-N 2.98Å; Y170-K173 PolarHBondContact O-N 3.3Å; Y170-Y174 VanDerWaalsContact O-CD2 3.27Å; Y170-Y174 WeakPolarHBondContact O-CD2 3.42Å; Y170-Y174 PolarHBondContact O-N 3.29Å; Y170-Y174 VanDerWaalsContact O-N 3.08Å; Y170-L176 HydrophobicContact CD2-CD2 4.4Å; Y170-L176 HydrophobicContact CE2-CD2 4.04Å; Y170-P179 WeakPolarHBondContact OH-CA 3.37Å; Y170-S180 PolarHBondContact OH-N 3.23Å; Y170-S180 PolarHBondContact OH-O 3.25Å; Y170-V186 HydrophobicContact CE2-CG2 4.41Å
171V97.7Very high96.7Very high20 Ų2078.5 Ų78.512%0.12140%0.403CS..Hα-helixtrans-63.3-53.6-179.4175.80000109.4F168 G169 D175 L176 P179F168-V171 HydrophobicContact CB-CG2 4.08Å; F168-V171 VanDerWaalsContact O-CB 3.28Å; F168-V171 WeakPolarHBondContact O-CB 3.42Å; F168-V171 WeakPolarHBondContact O-CG2 3.47Å; F168-V171 PolarHBondContact O-N 3.11Å; G169-V171 VanDerWaalsContact C-N 3.27Å; G169-V171 PolarHBondContact O-N 3.22Å; V171-D175 PolarHBondContact O-N 3.34Å; V171-D175 VanDerWaalsContact O-N 3.12Å; V171-L176 HydrophobicContact CB-CB 4.37Å; V171-L176 HydrophobicContact CG1-CB 3.89Å; V171-L176 VanDerWaalsContact CG1-O 3.28Å; V171-L176 WeakPolarHBondContact CG1-O 3.37Å; V171-L176 PolarHBondContact O-N 3.02Å; V171-P179 HydrophobicContact CG2-CB 4.34Å; V171-P179 HydrophobicContact CG2-CG 4.11Å
172E96.4Very high96.7Very high165 Ų16581.2 Ų81.277%0.77142%0.416SS*.Hα-helixtrans-64.9-45.1175.9-174.5-178.8-173.700111.5Y174 D175E172-Y174 PolarHBondContact O-N 2.67Å; E172-Y174 VanDerWaalsContact O-N 3.16Å; E172-D175 PolarHBondContact O-N 2.91Å
173K96Very high96.7Very high115 Ų11580.7 Ų80.750%0.541%0.413SS..Hα-helixtrans-59-32.1-176.7-175.6170.1-175.4163.70113.8G169 Y170G169-K173 VanDerWaalsContact O-CB 3.29Å; G169-K173 WeakPolarHBondContact O-CB 3.42Å; G169-K173 PolarHBondContact O-N 2.86Å; G169-K173 VanDerWaalsContact O-N 3.15Å; Y170-K173 PolarHBondContact O-N 3.3Å
174Y96.4Very high96.7Very high10 Ų1083.4 Ų83.44%0.03942%0.424CS..THydrogen-bonded Turntrans-117.616.7-175-57.8-61000113.7Y170 E172 L176 I190 L194 F223 A226Y170-Y174 VanDerWaalsContact O-CD2 3.27Å; Y170-Y174 WeakPolarHBondContact O-CD2 3.42Å; Y170-Y174 PolarHBondContact O-N 3.29Å; Y170-Y174 VanDerWaalsContact O-N 3.08Å; E172-Y174 PolarHBondContact O-N 2.67Å; E172-Y174 VanDerWaalsContact O-N 3.16Å; Y174-L176 PolarHBondContact O-N 3.48Å; Y174-I190 HydrophobicContact CD1-CB 4.39Å; Y174-I190 HydrophobicContact CD1-CG1 3.67Å; Y174-I190 HydrophobicContact CD1-CG2 4.45Å; Y174-I190 HydrophobicContact CD2-CD1 3.9Å; Y174-I190 HydrophobicContact CD2-CG1 3.69Å; Y174-I190 HydrophobicContact CE1-CD1 4.45Å; Y174-I190 HydrophobicContact CE1-CG1 3.92Å; Y174-I190 HydrophobicContact CE1-CG2 4.17Å; Y174-I190 HydrophobicContact CE2-CD1 3.82Å; Y174-I190 HydrophobicContact CE2-CG1 3.96Å; Y174-I190 HydrophobicContact CG-CD1 4.27Å; Y174-I190 HydrophobicContact CG-CG1 3.53Å; Y174-L194 HydrophobicContact CE1-CD1 4.41Å; Y174-F223 AromaticContact CE2-CD2 3.64Å; Y174-F223 HydrophobicContact CE2-CD2 3.64Å; Y174-F223 AromaticContact CE2-CE2 3.87Å; Y174-F223 HydrophobicContact CE2-CE2 3.87Å; Y174-A226 WeakPolarHBondContact OH-CB 3.44Å
175D95.8Very high96.7Very high90 Ų9078.3 Ų78.348%0.48141%0.408SS..THydrogen-bonded Turntrans53.645178.7-44.5-25.2000114.1V171 E172 K193V171-D175 PolarHBondContact O-N 3.34Å; V171-D175 VanDerWaalsContact O-N 3.12Å; E172-D175 PolarHBondContact O-N 2.91Å; D175-K193 IonicContact OD1-NZ 2.68Å; D175-K193 PolarHBondContact OD1-NZ 3.15Å; D175-K193 VanDerWaalsContact OD2-CD 3.28Å; D175-K193 WeakPolarHBondContact OD2-CD 3.28Å; D175-K193 WeakPolarHBondContact OD2-CE 3.48Å; D175-K193 IonicContact OD2-NZ 2.7Å; D175-K193 PolarHBondContact OD2-NZ 3.02Å
176L96.4Very high96.8Very high14 Ų1472.5 Ų72.57%0.07338%0.378CS..  trans-81.6151.9168.4-70.378000109.5Y170 V171 Y174 V186 R189Y170-L176 HydrophobicContact CD2-CD2 4.4Å; Y170-L176 HydrophobicContact CE2-CD2 4.04Å; V171-L176 HydrophobicContact CB-CB 4.37Å; V171-L176 HydrophobicContact CG1-CB 3.89Å; V171-L176 VanDerWaalsContact CG1-O 3.28Å; V171-L176 WeakPolarHBondContact CG1-O 3.37Å; V171-L176 PolarHBondContact O-N 3.02Å; Y174-L176 PolarHBondContact O-N 3.48Å; L176-V186 HydrophobicContact CD2-CG2 3.88Å; L176-R189 HydrophobicContact CD1-CB 4.1Å; L176-R189 HydrophobicContact CD1-CG 4.41Å; L176-R189 HydrophobicContact CG-CB 4.43Å; L176-R189 HydrophobicContact CG-CG 4.19Å
177Q95.3Very high96.9Very high182 Ų18270.5 Ų70.585%0.8536%0.357SS*.SBendtrans-74.9-36.3176.5-70.5179.2-21.700111.8
178E96.7Very high96.9Very high138 Ų13869.6 Ų69.665%0.64535%0.353SS*.SBendtrans-151.8165-176.962.5-175165.300110.6
179P97.6Very high96.9Very high62 Ų6270.1 Ų70.140%0.40335%0.353SS..  trans-54.1140.7168.9-25.335.9000111.8F168 Y170 V171F168-P179 HydrophobicContact CB-CG 4.17Å; F168-P179 HydrophobicContact CD1-CB 3.5Å; F168-P179 HydrophobicContact CD1-CG 3.39Å; F168-P179 HydrophobicContact CD2-CG 4.24Å; F168-P179 HydrophobicContact CE1-CB 3.62Å; F168-P179 HydrophobicContact CE1-CG 3.72Å; F168-P179 HydrophobicContact CG-CB 4.29Å; F168-P179 HydrophobicContact CG-CG 3.67Å; F168-P179 HydrophobicContact CZ-CB 4.5Å; F168-P179 HydrophobicContact CZ-CG 4.28Å; Y170-P179 WeakPolarHBondContact OH-CA 3.37Å; V171-P179 HydrophobicContact CG2-CB 4.34Å; V171-P179 HydrophobicContact CG2-CG 4.11Å
180S97.4Very high96.9Very high25 Ų2567.7 Ų67.718%0.17533%0.327CS..  trans-131.1144.9-179.1-1740000110.3L159 N163 Y170 D182L159-S180 WeakPolarHBondContact CD1-O 3.28Å; N163-S180 PolarHBondContact ND2-O 2.85Å; Y170-S180 PolarHBondContact OH-N 3.23Å; Y170-S180 PolarHBondContact OH-O 3.25Å; S180-D182 PolarHBondContact OG-N 3.3Å
181D96.6Very high97Very high116 Ų11667.2 Ų67.262%0.6233%0.325SS*.SBendtrans-1033.9171.8-150.243.1000112N163N163-D181 PolarHBondContact ND2-OD1 2.81Å
182D97.6Very high96.9Very high82 Ų8270.9 Ų70.944%0.43935%0.347SS..  trans-95.6101.4175.5176.31.5000109.9S180 Q184 H185 V186S180-D182 PolarHBondContact OG-N 3.3Å; D182-Q184 PolarHBondContact O-N 2.94Å; D182-Q184 WeakPolarHBondContact OD1-CA 3.21Å; D182-Q184 WeakPolarHBondContact OD1-CB 3.34Å; D182-Q184 PolarHBondContact OD1-N 2.8Å; D182-H185 HydrophobicContact CB-CB 3.94Å; D182-H185 WeakPolarHBondContact O-CB 3.2Å; D182-H185 PolarHBondContact O-N 2.86Å; D182-H185 VanDerWaalsContact O-N 3.14Å; D182-H185 PolarHBondContact OD1-N 3.33Å; D182-H185 WeakPolarHBondContact OD2-CB 3.46Å; D182-V186 WeakPolarHBondContact O-CG2 3.33Å; D182-V186 PolarHBondContact O-N 3.48Å
183I97.7Very high96.8Very high20 Ų2067.8 Ų67.810%0.10333%0.331CS..Hα-helixtrans-58-34.3177.8-172.357.8000112.7A155 D156 L159 H185 V186 L187A155-I183 HydrophobicContact CB-CD1 4.04Å; D156-I183 HydrophobicContact CB-CB 4.06Å; D156-I183 HydrophobicContact CB-CG1 3.95Å; D156-I183 HydrophobicContact CB-CG2 4.09Å; D156-I183 WeakPolarHBondContact OD1-CB 3.46Å; L159-I183 HydrophobicContact CB-CD1 4.31Å; L159-I183 HydrophobicContact CD2-CB 4.22Å; L159-I183 HydrophobicContact CD2-CD1 4.11Å; I183-H185 PolarHBondContact O-N 3.14Å; I183-V186 PolarHBondContact O-N 3.05Å; I183-L187 HydrophobicContact CD1-CD1 4.25Å; I183-L187 HydrophobicContact CD1-CD2 4.08Å; I183-L187 HydrophobicContact CD1-CG 3.8Å; I183-L187 HydrophobicContact CG1-CD1 3.88Å; I183-L187 HydrophobicContact CG1-CG 3.9Å; I183-L187 WeakPolarHBondContact O-CB 3.46Å; I183-L187 WeakPolarHBondContact O-CG 3.18Å; I183-L187 PolarHBondContact O-N 2.93Å
184Q97.4Very high96.8Very high89 Ų8965.4 Ų65.442%0.41632%0.324SS..Hα-helixtrans-67.4-39.4179.1-63.3-62.5-35.600111.1D182 K188D182-Q184 PolarHBondContact O-N 2.94Å; D182-Q184 WeakPolarHBondContact OD1-CA 3.21Å; D182-Q184 WeakPolarHBondContact OD1-CB 3.34Å; D182-Q184 PolarHBondContact OD1-N 2.8Å; Q184-K188 VanDerWaalsContact O-CB 3.28Å; Q184-K188 WeakPolarHBondContact O-CB 3.4Å; Q184-K188 PolarHBondContact O-N 3.09Å
185H97.1Very high96.8Very high69 Ų6975.5 Ų75.532%0.31936%0.362SS..Hα-helixtrans-60.5-49.6172.6-173.883.2000111.3D182 I183 K188 R189D182-H185 HydrophobicContact CB-CB 3.94Å; D182-H185 WeakPolarHBondContact O-CB 3.2Å; D182-H185 PolarHBondContact O-N 2.86Å; D182-H185 VanDerWaalsContact O-N 3.14Å; D182-H185 PolarHBondContact OD1-N 3.33Å; D182-H185 WeakPolarHBondContact OD2-CB 3.46Å; I183-H185 PolarHBondContact O-N 3.14Å; H185-K188 WeakPolarHBondContact O-CB 3.38Å; H185-K188 PolarHBondContact O-N 3.06Å; H185-R189 PolarHBondContact NE2-NE 3.48Å; H185-R189 WeakPolarHBondContact O-CG 3.49Å; H185-R189 PolarHBondContact O-N 2.98Å; H185-R189 VanDerWaalsContact O-N 3.09Å
186V97.9Very high96.8Very high0 Ų074.8 Ų74.80%036%0.355CS..Hα-helixtrans-62-48.4-179.6177.80000111L159 Y170 L176 D182 I183 K188 R189 I190L159-V186 HydrophobicContact CD1-CG2 4.12Å; L159-V186 HydrophobicContact CD2-CB 4.3Å; L159-V186 HydrophobicContact CD2-CG2 3.71Å; Y170-V186 HydrophobicContact CE2-CG2 4.41Å; L176-V186 HydrophobicContact CD2-CG2 3.88Å; D182-V186 WeakPolarHBondContact O-CG2 3.33Å; D182-V186 PolarHBondContact O-N 3.48Å; I183-V186 PolarHBondContact O-N 3.05Å; V186-K188 VanDerWaalsContact C-N 3.3Å; V186-K188 PolarHBondContact O-N 3.19Å; V186-R189 WeakPolarHBondContact O-CB 3.42Å; V186-R189 PolarHBondContact O-N 3.08Å; V186-R189 VanDerWaalsContact O-N 3.13Å; V186-I190 HydrophobicContact CG1-CD1 3.79Å; V186-I190 HydrophobicContact CG1-CG1 4.43Å; V186-I190 VanDerWaalsContact O-CG1 3.31Å; V186-I190 WeakPolarHBondContact O-CG1 3.44Å; V186-I190 PolarHBondContact O-N 3.14Å
187L98Very high96.7Very high1 Ų178 Ų781%0.00537%0.374CS..Hα-helixtrans-63.6-34.9178.7-67.3-176.8000112.2A155 I183 I190 A191 Y216 A219 A220A155-L187 HydrophobicContact CB-CD2 4.33Å; I183-L187 HydrophobicContact CD1-CD1 4.25Å; I183-L187 HydrophobicContact CD1-CD2 4.08Å; I183-L187 HydrophobicContact CD1-CG 3.8Å; I183-L187 HydrophobicContact CG1-CD1 3.88Å; I183-L187 HydrophobicContact CG1-CG 3.9Å; I183-L187 WeakPolarHBondContact O-CB 3.46Å; I183-L187 WeakPolarHBondContact O-CG 3.18Å; I183-L187 PolarHBondContact O-N 2.93Å; L187-I190 HydrophobicContact CD2-CD1 4.38Å; L187-I190 PolarHBondContact O-N 3.15Å; L187-A191 VanDerWaalsContact O-CB 3.23Å; L187-A191 WeakPolarHBondContact O-CB 3.29Å; L187-A191 PolarHBondContact O-N 3.47Å; L187-Y216 HydrophobicContact CB-CD1 3.83Å; L187-Y216 HydrophobicContact CB-CE1 4.5Å; L187-A219 HydrophobicContact CB-CB 4.35Å; L187-A219 HydrophobicContact CD2-CB 4.27Å; L187-A219 WeakPolarHBondContact O-CB 3.42Å; L187-A220 HydrophobicContact CD1-CB 4.07Å; L187-A220 HydrophobicContact CD2-CB 3.92Å
188K96.6Very high96.7Very high111 Ų11173 Ų7348%0.48335%0.351SS..Hα-helixtrans-61.1-46172.9-174177.1176.9178.50111.2Q184 H185 V186 A191 V192 Y216Q184-K188 VanDerWaalsContact O-CB 3.28Å; Q184-K188 WeakPolarHBondContact O-CB 3.4Å; Q184-K188 PolarHBondContact O-N 3.09Å; H185-K188 WeakPolarHBondContact O-CB 3.38Å; H185-K188 PolarHBondContact O-N 3.06Å; V186-K188 VanDerWaalsContact C-N 3.3Å; V186-K188 PolarHBondContact O-N 3.19Å; K188-A191 PolarHBondContact O-N 3.34Å; K188-V192 WeakPolarHBondContact O-CG2 3.44Å; K188-V192 PolarHBondContact O-N 3.5Å; K188-Y216 HydrophobicContact CB-CE1 3.86Å; K188-Y216 HydrophobicContact CG-CE1 4.5Å
189R96.8Very high96.4Very high103 Ų10375.4 Ų75.439%0.38936%0.355SS..Hα-helixtrans-61.7-46.4177.8-67.7-70.8-173.6168.21.5111.3L176 H185 V186 A191 V192 K193L176-R189 HydrophobicContact CD1-CB 4.1Å; L176-R189 HydrophobicContact CD1-CG 4.41Å; L176-R189 HydrophobicContact CG-CB 4.43Å; L176-R189 HydrophobicContact CG-CG 4.19Å; H185-R189 PolarHBondContact NE2-NE 3.48Å; H185-R189 WeakPolarHBondContact O-CG 3.49Å; H185-R189 PolarHBondContact O-N 2.98Å; H185-R189 VanDerWaalsContact O-N 3.09Å; V186-R189 WeakPolarHBondContact O-CB 3.42Å; V186-R189 PolarHBondContact O-N 3.08Å; V186-R189 VanDerWaalsContact O-N 3.13Å; R189-A191 PolarHBondContact O-N 2.92Å; R189-V192 PolarHBondContact O-N 3.45Å; R189-K193 VanDerWaalsContact O-CB 3.27Å; R189-K193 WeakPolarHBondContact O-CB 3.27Å; R189-K193 PolarHBondContact O-N 3.39Å
190I97.6Very high96Very high0 Ų074.7 Ų74.70%035%0.349CS..Hα-helixtrans-59.8-47176-65.8170.8000110.9Y174 V186 L187 V192 K193 L194 A219 F223Y174-I190 HydrophobicContact CD1-CB 4.39Å; Y174-I190 HydrophobicContact CD1-CG1 3.67Å; Y174-I190 HydrophobicContact CD1-CG2 4.45Å; Y174-I190 HydrophobicContact CD2-CD1 3.9Å; Y174-I190 HydrophobicContact CD2-CG1 3.69Å; Y174-I190 HydrophobicContact CE1-CD1 4.45Å; Y174-I190 HydrophobicContact CE1-CG1 3.92Å; Y174-I190 HydrophobicContact CE1-CG2 4.17Å; Y174-I190 HydrophobicContact CE2-CD1 3.82Å; Y174-I190 HydrophobicContact CE2-CG1 3.96Å; Y174-I190 HydrophobicContact CG-CD1 4.27Å; Y174-I190 HydrophobicContact CG-CG1 3.53Å; V186-I190 HydrophobicContact CG1-CD1 3.79Å; V186-I190 HydrophobicContact CG1-CG1 4.43Å; V186-I190 VanDerWaalsContact O-CG1 3.31Å; V186-I190 WeakPolarHBondContact O-CG1 3.44Å; V186-I190 PolarHBondContact O-N 3.14Å; L187-I190 HydrophobicContact CD2-CD1 4.38Å; L187-I190 PolarHBondContact O-N 3.15Å; I190-V192 PolarHBondContact O-N 2.96Å; I190-K193 PolarHBondContact O-N 2.95Å; I190-L194 HydrophobicContact CG2-CD1 3.75Å; I190-L194 HydrophobicContact CG2-CG 4.3Å; I190-L194 WeakPolarHBondContact O-CB 3.28Å; I190-L194 WeakPolarHBondContact O-CG 3.41Å; I190-L194 PolarHBondContact O-N 2.73Å; I190-A219 HydrophobicContact CB-CB 4.16Å; I190-A219 HydrophobicContact CG2-CB 3.87Å; I190-F223 HydrophobicContact CD1-CB 3.8Å; I190-F223 HydrophobicContact CD1-CD1 4.35Å; I190-F223 HydrophobicContact CD1-CD2 3.75Å; I190-F223 HydrophobicContact CD1-CE2 4.44Å; I190-F223 HydrophobicContact CD1-CG 3.7Å
191A97.4Very high95.6Very high0 Ų081.4 Ų81.40%038%0.375CS..Hα-helixtrans-59.1-45.9-179.900000111.9L187 K188 R189 R195 K196 P214 A219L187-A191 VanDerWaalsContact O-CB 3.23Å; L187-A191 WeakPolarHBondContact O-CB 3.29Å; L187-A191 PolarHBondContact O-N 3.47Å; K188-A191 PolarHBondContact O-N 3.34Å; R189-A191 PolarHBondContact O-N 2.92Å; A191-R195 CarbonylContact O-C 3.59Å; A191-R195 WeakPolarHBondContact O-CA 3.41Å; A191-R195 PolarHBondContact O-N 3.45Å; A191-K196 PolarHBondContact O-N 3.09Å; A191-P214 HydrophobicContact CB-CB 3.77Å; A191-A219 HydrophobicContact CB-CB 3.91Å
192V95.4Very high95Very high96 Ų9677.4 Ų77.458%0.58236%0.358SS*.Hα-helixtrans-66.3-50.5177.81730000110.9K188 R189 I190 L194 R195K188-V192 WeakPolarHBondContact O-CG2 3.44Å; K188-V192 PolarHBondContact O-N 3.5Å; R189-V192 PolarHBondContact O-N 3.45Å; I190-V192 PolarHBondContact O-N 2.96Å; V192-L194 VanDerWaalsContact C-N 3.33Å; V192-L194 PolarHBondContact O-N 3.13Å; V192-R195 PolarHBondContact O-N 3.47Å; V192-R195 VanDerWaalsContact O-N 3.11Å
193K95.8Very high94Very high100 Ų10080.6 Ų80.644%0.43537%0.374SS..Hα-helixtrans-57.5-44.2-179-179.370.4172.1-165.10112.1D175 R189 I190 R195D175-K193 IonicContact OD1-NZ 2.68Å; D175-K193 PolarHBondContact OD1-NZ 3.15Å; D175-K193 VanDerWaalsContact OD2-CD 3.28Å; D175-K193 WeakPolarHBondContact OD2-CD 3.28Å; D175-K193 WeakPolarHBondContact OD2-CE 3.48Å; D175-K193 IonicContact OD2-NZ 2.7Å; D175-K193 PolarHBondContact OD2-NZ 3.02Å; R189-K193 VanDerWaalsContact O-CB 3.27Å; R189-K193 WeakPolarHBondContact O-CB 3.27Å; R189-K193 PolarHBondContact O-N 3.39Å; I190-K193 PolarHBondContact O-N 2.95Å; K193-R195 VanDerWaalsContact C-N 3.33Å
194L96.3Very high92.8Very high66 Ų6682 Ų8235%0.34638%0.383SS..THydrogen-bonded Turntrans-90.66.4-178.5-58.7-175.6000113.6Y174 I190 V192 K196 N222Y174-L194 HydrophobicContact CE1-CD1 4.41Å; I190-L194 HydrophobicContact CG2-CD1 3.75Å; I190-L194 HydrophobicContact CG2-CG 4.3Å; I190-L194 WeakPolarHBondContact O-CB 3.28Å; I190-L194 WeakPolarHBondContact O-CG 3.41Å; I190-L194 PolarHBondContact O-N 2.73Å; V192-L194 VanDerWaalsContact C-N 3.33Å; V192-L194 PolarHBondContact O-N 3.13Å; L194-K196 HydrophobicContact CB-CG 3.91Å; L194-K196 PolarHBondContact O-N 3.35Å; L194-N222 HydrophobicContact CD1-CB 3.68Å
195R95.8Very high91.5Very high221 Ų22182.3 Ų82.383%0.83441%0.41SS*.THydrogen-bonded Turntrans51.537.3-177.3-55.8-179.1-179.1178.3-0.4113A191 V192 K193 T197A191-R195 CarbonylContact O-C 3.59Å; A191-R195 WeakPolarHBondContact O-CA 3.41Å; A191-R195 PolarHBondContact O-N 3.45Å; V192-R195 PolarHBondContact O-N 3.47Å; V192-R195 VanDerWaalsContact O-N 3.11Å; K193-R195 VanDerWaalsContact C-N 3.33Å; R195-T197 PolarHBondContact O-N 3.3Å
196K95.8Very high90.4Very high76 Ų7686 Ų8633%0.3344%0.437SS..  trans-85.893.8173.6-56.3-59.4176.6-178.70108.6A191 L194 N215 A218 N222A191-K196 PolarHBondContact O-N 3.09Å; L194-K196 HydrophobicContact CB-CG 3.91Å; L194-K196 PolarHBondContact O-N 3.35Å; K196-N215 PolarHBondContact O-N 3.31Å; K196-A218 HydrophobicContact CB-CB 4.05Å; K196-A218 HydrophobicContact CD-CB 4.37Å; K196-A218 HydrophobicContact CG-CB 4.31Å; K196-N222 WeakPolarHBondContact CE-ND2 3.45Å
197T94.3Very high89.3Confident80 Ų8087.6 Ų87.649%0.49145%0.454SS..EExtended strand (participates in β ladder)trans-124.3161.5178.360.50000110.8R195 T212 I213R195-T197 PolarHBondContact O-N 3.3Å; T197-T212 HydrophobicContact CG2-CG2 4.08Å; T197-I213 CarbonylContact C-O 3.55Å; T197-I213 VanDerWaalsContact CA-O 3.25Å; T197-I213 WeakPolarHBondContact CA-O 3.39Å; T197-I213 WeakPolarHBondContact CB-O 3.42Å
198Q94.1Very high88.5Confident78 Ų7893.1 Ų93.136%0.36448%0.483SS..EExtended strand (participates in β ladder)trans-136.5149.2174.762.1-177.312.200110.2V200 T212 I213 N215Q198-V200 HydrophobicContact CG-CG1 4.3Å; Q198-T212 WeakPolarHBondContact O-CA 3.31Å; Q198-I213 HydrophobicContact CG-CD1 4.32Å; Q198-I213 HydrophobicContact CG-CG1 3.73Å; Q198-I213 PolarHBondContact N-O 2.9Å; Q198-I213 PolarHBondContact O-N 3.38Å; Q198-N215 HydrophobicContact CB-CB 4.17Å; Q198-N215 HydrophobicContact CG-CB 4.11Å; Q198-N215 PolarHBondContact OE1-ND2 2.95Å
199R91.6Very high88Confident189 Ų18991.8 Ų91.871%0.71348%0.48SS*.EExtended strand (participates in β ladder)trans-92.3123.3176.4-65.2-17972.7-173.62.2108.7T210 V211R199-T210 HydrophobicContact CB-CG2 3.89Å; R199-T210 HydrophobicContact CG-CG2 4.45Å; R199-V211 WeakPolarHBondContact CA-O 3.45Å
200V89.6Confident87.5Confident47 Ų4790.3 Ų90.329%0.28548%0.483SS..EExtended strand (participates in β ladder)trans-119.8146176.3-64.20000109.9Q198 T210 V211 I213Q198-V200 HydrophobicContact CG-CG1 4.3Å; V200-T210 CarbonylContact O-C 3.58Å; V200-T210 WeakPolarHBondContact O-CA 3.5Å; V200-V211 PolarHBondContact N-O 2.83Å; V200-V211 PolarHBondContact O-N 3.47Å; V200-I213 HydrophobicContact CB-CD1 4.38Å; V200-I213 HydrophobicContact CG1-CD1 3.68Å; V200-I213 HydrophobicContact CG1-CG1 3.96Å; V200-I213 HydrophobicContact CG2-CB 4.49Å; V200-I213 HydrophobicContact CG2-CD1 3.77Å; V200-I213 HydrophobicContact CG2-CG1 3.86Å; V200-I213 HydrophobicContact CG2-CG2 3.87Å
201K89.1Confident87.1Confident166 Ų16693 Ų9372%0.72250%0.499SS*.EExtended strand (participates in β ladder)trans-83.2115.7170.1-66.8-177.5-178.9179.20107.6I209K201-I209 CarbonylContact C-O 3.52Å; K201-I209 WeakPolarHBondContact CA-O 3.45Å
202A82.6Confident86.8Confident32 Ų3297 Ų9726%0.26452%0.524SS..EExtended strand (participates in β ladder)trans-95.1126.917100000108.5T204 I209 V211A202-T204 PolarHBondContact O-N 3.44Å; A202-I209 HydrophobicContact CB-CG1 4.03Å; A202-I209 PolarHBondContact N-O 3.35Å; A202-I209 PolarHBondContact O-N 3.16Å; A202-V211 HydrophobicContact CB-CG2 4Å
203I76.7Confident86.7Confident149 Ų14995.2 Ų95.276%0.76451%0.511SS*.EExtended strand (participates in β ladder)trans-80107170.8-56173.5000105.6
204T73.5Confident86.7Confident49 Ų4992 Ų9230%0.30150%0.5SS..EExtended strand (participates in β ladder)trans-99157166.963.10000108.3A202 V206 G207 I209A202-T204 PolarHBondContact O-N 3.44Å; T204-V206 PolarHBondContact O-N 3.44Å; T204-G207 PolarHBondContact N-O 3.48Å; T204-G207 PolarHBondContact O-N 2.86Å; T204-G207 PolarHBondContact OG1-O 3.34Å; T204-I209 HydrophobicContact CG2-CD1 3.54Å; T204-I209 HydrophobicContact CG2-CG1 3.78Å
205G69.9Low86.7Confident96 Ų9690.5 Ų90.599%0.9949%0.492SS*.THydrogen-bonded Turntrans-60.11.9176.600000115
206V73.8Confident86.7Confident145 Ų14583.9 Ų83.988%0.87947%0.468SS*.THydrogen-bonded Turntrans-123.55.7-180-109.60000113T204T204-V206 PolarHBondContact O-N 3.44Å
207G74.3Confident86.7Confident34 Ų3484.6 Ų84.635%0.35148%0.478SS..EExtended strand (participates in β ladder)trans134.5-177.4174.500000114.6T204 I209T204-G207 PolarHBondContact N-O 3.48Å; T204-G207 PolarHBondContact O-N 2.86Å; T204-G207 PolarHBondContact OG1-O 3.34Å; G207-I209 PolarHBondContact O-N 3.12Å
208N81.4Confident86.7Confident118 Ų11882 Ų8263%0.63147%0.465SS*.EExtended strand (participates in β ladder)trans-85108.5177.1-71.9-21.8000110.1
209I85.5Confident86.9Confident82 Ų8278.3 Ų78.342%0.42145%0.448SS..EExtended strand (participates in β ladder)trans-99.9144.5170.460.9169.5000110K201 A202 T204 G207 V211K201-I209 CarbonylContact C-O 3.52Å; K201-I209 WeakPolarHBondContact CA-O 3.45Å; A202-I209 HydrophobicContact CB-CG1 4.03Å; A202-I209 PolarHBondContact N-O 3.35Å; A202-I209 PolarHBondContact O-N 3.16Å; T204-I209 HydrophobicContact CG2-CD1 3.54Å; T204-I209 HydrophobicContact CG2-CG1 3.78Å; G207-I209 PolarHBondContact O-N 3.12Å; I209-V211 HydrophobicContact CD1-CG2 3.74Å; I209-V211 HydrophobicContact CG1-CG2 3.94Å
210T86.9Confident87.2Confident73 Ų7369.3 Ų69.345%0.44841%0.414SS..EExtended strand (participates in β ladder)trans-94.6118.2171.8-56.60000108.9R199 V200R199-T210 HydrophobicContact CB-CG2 3.89Å; R199-T210 HydrophobicContact CG-CG2 4.45Å; V200-T210 CarbonylContact O-C 3.58Å; V200-T210 WeakPolarHBondContact O-CA 3.5Å
211V90.2Very high87.5Confident56 Ų5671.7 Ų71.734%0.33942%0.419SS..EExtended strand (participates in β ladder)trans-111.5142.9179.8-174.70000109.3R199 V200 A202 I209 I213R199-V211 WeakPolarHBondContact CA-O 3.45Å; V200-V211 PolarHBondContact N-O 2.83Å; V200-V211 PolarHBondContact O-N 3.47Å; A202-V211 HydrophobicContact CB-CG2 4Å; I209-V211 HydrophobicContact CD1-CG2 3.74Å; I209-V211 HydrophobicContact CG1-CG2 3.94Å; V211-I213 HydrophobicContact CG1-CG2 4.09Å
212T91.5Very high87.8Confident84 Ų8465.7 Ų65.752%0.51539%0.394SS..EExtended strand (participates in β ladder)trans-93120.3172.2-59.80000108.8T197 Q198T197-T212 HydrophobicContact CG2-CG2 4.08Å; Q198-T212 WeakPolarHBondContact O-CA 3.31Å
213I93.3Very high88.6Confident59 Ų5964.4 Ų64.430%0.30338%0.383SS..EExtended strand (participates in β ladder)trans-120.3158.417965.7167000110.8T197 Q198 V200 V211T197-I213 CarbonylContact C-O 3.55Å; T197-I213 VanDerWaalsContact CA-O 3.25Å; T197-I213 WeakPolarHBondContact CA-O 3.39Å; T197-I213 WeakPolarHBondContact CB-O 3.42Å; Q198-I213 HydrophobicContact CG-CD1 4.32Å; Q198-I213 HydrophobicContact CG-CG1 3.73Å; Q198-I213 PolarHBondContact N-O 2.9Å; Q198-I213 PolarHBondContact O-N 3.38Å; V200-I213 HydrophobicContact CB-CD1 4.38Å; V200-I213 HydrophobicContact CG1-CD1 3.68Å; V200-I213 HydrophobicContact CG1-CG1 3.96Å; V200-I213 HydrophobicContact CG2-CB 4.49Å; V200-I213 HydrophobicContact CG2-CD1 3.77Å; V200-I213 HydrophobicContact CG2-CG1 3.86Å; V200-I213 HydrophobicContact CG2-CG2 3.87Å; V211-I213 HydrophobicContact CG1-CG2 4.09Å
214P95.6Very high89.5Confident31 Ų3157.4 Ų57.420%0.20135%0.347CS..EExtended strand (participates in β ladder)trans-53.8138.6169.7-26.836.6000112.3A191 Y216A191-P214 HydrophobicContact CB-CB 3.77Å; P214-Y216 HydrophobicContact CB-CE1 4.11Å
215N96.1Very high90.5Very high35 Ų3562.4 Ų62.419%0.18736%0.36CS..  trans-97.296.6172.6-175.4-28.7000109.2K196 Q198 T217 A218 A219K196-N215 PolarHBondContact O-N 3.31Å; Q198-N215 HydrophobicContact CB-CB 4.17Å; Q198-N215 HydrophobicContact CG-CB 4.11Å; Q198-N215 PolarHBondContact OE1-ND2 2.95Å; N215-T217 PolarHBondContact OD1-N 2.78Å; N215-A218 HydrophobicContact CB-CB 4.05Å; N215-A218 PolarHBondContact O-N 3.4Å; N215-A218 WeakPolarHBondContact OD1-CB 3.23Å; N215-A218 PolarHBondContact OD1-N 3.2Å; N215-A219 PolarHBondContact O-N 3.11Å
216Y95.8Very high91.6Very high83 Ų8359.8 Ų59.833%0.32533%0.329SS..Hα-helixtrans-67.6-38.2-176.3-64-61.7000113.4L187 K188 P214 A218 A219 A220L187-Y216 HydrophobicContact CB-CD1 3.83Å; L187-Y216 HydrophobicContact CB-CE1 4.5Å; K188-Y216 HydrophobicContact CB-CE1 3.86Å; K188-Y216 HydrophobicContact CG-CE1 4.5Å; P214-Y216 HydrophobicContact CB-CE1 4.11Å; Y216-A218 VanDerWaalsContact C-N 3.34Å; Y216-A218 PolarHBondContact O-N 2.9Å; Y216-A219 WeakPolarHBondContact O-CB 3.33Å; Y216-A219 PolarHBondContact O-N 3.43Å; Y216-A219 VanDerWaalsContact O-N 3.15Å; Y216-A220 WeakPolarHBondContact O-CB 3.27Å; Y216-A220 PolarHBondContact O-N 3.05Å
217T94.7Very high92.5Very high90 Ų9057.6 Ų57.655%0.55231%0.308SS*.Hα-helixtrans-60.8-45.1176-50.20000111N215 A219 A220 Y221N215-T217 PolarHBondContact OD1-N 2.78Å; T217-A219 VanDerWaalsContact C-N 3.33Å; T217-A219 PolarHBondContact O-N 3.02Å; T217-A220 PolarHBondContact O-N 3.36Å; T217-Y221 WeakPolarHBondContact O-CB 3.37Å; T217-Y221 PolarHBondContact O-N 2.9Å
218A95.6Very high93.3Very high26 Ų2661.3 Ų61.322%0.21531%0.311CS..Hα-helixtrans-65.1-38175.600000111.8K196 N215 Y216 N222K196-A218 HydrophobicContact CB-CB 4.05Å; K196-A218 HydrophobicContact CD-CB 4.37Å; K196-A218 HydrophobicContact CG-CB 4.31Å; N215-A218 HydrophobicContact CB-CB 4.05Å; N215-A218 PolarHBondContact O-N 3.4Å; N215-A218 WeakPolarHBondContact OD1-CB 3.23Å; N215-A218 PolarHBondContact OD1-N 3.2Å; Y216-A218 VanDerWaalsContact C-N 3.34Å; Y216-A218 PolarHBondContact O-N 2.9Å; A218-N222 PolarHBondContact O-N 2.85Å; A218-N222 PolarHBondContact O-ND2 2.81Å
219A97.4Very high93.9Very high0 Ų058.5 Ų58.50%030%0.295CS..Hα-helixtrans-64.5-45.5175.400000112.1L187 I190 A191 N215 Y216 T217 N222 F223L187-A219 HydrophobicContact CB-CB 4.35Å; L187-A219 HydrophobicContact CD2-CB 4.27Å; L187-A219 WeakPolarHBondContact O-CB 3.42Å; I190-A219 HydrophobicContact CB-CB 4.16Å; I190-A219 HydrophobicContact CG2-CB 3.87Å; A191-A219 HydrophobicContact CB-CB 3.91Å; N215-A219 PolarHBondContact O-N 3.11Å; Y216-A219 WeakPolarHBondContact O-CB 3.33Å; Y216-A219 PolarHBondContact O-N 3.43Å; Y216-A219 VanDerWaalsContact O-N 3.15Å; T217-A219 VanDerWaalsContact C-N 3.33Å; T217-A219 PolarHBondContact O-N 3.02Å; A219-N222 PolarHBondContact O-N 2.88Å; A219-N222 VanDerWaalsContact O-N 3.14Å; A219-F223 PolarHBondContact O-N 3.37Å
220A97.6Very high94.4Very high0 Ų057.2 Ų57.20%029%0.289CS..Hα-helixtrans-59.9-47.5177.100000111.1E151 A155 L187 Y216 T217 N222 F223 I224E151-A220 HydrophobicContact CB-CB 4.04Å; A155-A220 HydrophobicContact CB-CB 3.88Å; L187-A220 HydrophobicContact CD1-CB 4.07Å; L187-A220 HydrophobicContact CD2-CB 3.92Å; Y216-A220 WeakPolarHBondContact O-CB 3.27Å; Y216-A220 PolarHBondContact O-N 3.05Å; T217-A220 PolarHBondContact O-N 3.36Å; A220-N222 VanDerWaalsContact C-N 3.31Å; A220-N222 PolarHBondContact O-N 2.83Å; A220-F223 WeakPolarHBondContact O-CB 3.28Å; A220-F223 PolarHBondContact O-N 2.61Å; A220-F223 VanDerWaalsContact O-N 3.09Å; A220-I224 VanDerWaalsContact O-CG1 3.32Å; A220-I224 WeakPolarHBondContact O-CG1 3.42Å; A220-I224 PolarHBondContact O-N 2.94Å
221Y95.8Very high94.8Very high98 Ų9856.3 Ų56.338%0.38428%0.28SS..Hα-helixtrans-55.3-44.7173.2175.7-93.4000112.4T217 F223 R225T217-Y221 WeakPolarHBondContact O-CB 3.37Å; T217-Y221 PolarHBondContact O-N 2.9Å; Y221-F223 VanDerWaalsContact C-N 3.34Å; Y221-R225 WeakPolarHBondContact O-CB 3.36Å; Y221-R225 PolarHBondContact O-N 2.84Å
222N96.6Very high95Very high39 Ų3956.4 Ų56.421%0.20928%0.277CS..Hα-helixtrans-68.9-32.9178.1-80.4-90000112.4L194 K196 A218 A219 A220 A226L194-N222 HydrophobicContact CD1-CB 3.68Å; K196-N222 WeakPolarHBondContact CE-ND2 3.45Å; A218-N222 PolarHBondContact O-N 2.85Å; A218-N222 PolarHBondContact O-ND2 2.81Å; A219-N222 PolarHBondContact O-N 2.88Å; A219-N222 VanDerWaalsContact O-N 3.14Å; A220-N222 VanDerWaalsContact C-N 3.31Å; A220-N222 PolarHBondContact O-N 2.83Å; N222-A226 WeakPolarHBondContact O-CB 3.44Å; N222-A226 PolarHBondContact O-N 2.99Å
223F97.6Very high95.3Very high6 Ų654.6 Ų54.63%0.02626%0.262CS..Hα-helixtrans-67-48.4176.8-170.6-142.3000111.5A155 L158 L159 L162 Y174 I190 A219 A220 Y221 R225 A226 F227A155-F223 HydrophobicContact CB-CD1 4.04Å; L158-F223 HydrophobicContact CB-CE1 4.34Å; L158-F223 HydrophobicContact CD2-CD1 3.91Å; L158-F223 HydrophobicContact CD2-CD2 4.31Å; L158-F223 HydrophobicContact CD2-CE1 3.8Å; L158-F223 HydrophobicContact CD2-CE2 4.21Å; L158-F223 HydrophobicContact CD2-CG 4.17Å; L158-F223 HydrophobicContact CD2-CZ 3.96Å; L158-F223 HydrophobicContact CG-CE1 3.96Å; L158-F223 HydrophobicContact CG-CZ 4.08Å; L159-F223 HydrophobicContact CB-CE1 4.25Å; L162-F223 HydrophobicContact CD1-CE2 4.39Å; L162-F223 HydrophobicContact CD1-CZ 3.96Å; Y174-F223 AromaticContact CE2-CD2 3.64Å; Y174-F223 HydrophobicContact CE2-CD2 3.64Å; Y174-F223 AromaticContact CE2-CE2 3.87Å; Y174-F223 HydrophobicContact CE2-CE2 3.87Å; I190-F223 HydrophobicContact CD1-CB 3.8Å; I190-F223 HydrophobicContact CD1-CD1 4.35Å; I190-F223 HydrophobicContact CD1-CD2 3.75Å; I190-F223 HydrophobicContact CD1-CE2 4.44Å; I190-F223 HydrophobicContact CD1-CG 3.7Å; A219-F223 PolarHBondContact O-N 3.37Å; A220-F223 WeakPolarHBondContact O-CB 3.28Å; A220-F223 PolarHBondContact O-N 2.61Å; A220-F223 VanDerWaalsContact O-N 3.09Å; Y221-F223 VanDerWaalsContact C-N 3.34Å; F223-R225 PolarHBondContact O-N 3.33Å; F223-A226 WeakPolarHBondContact O-CB 3.41Å; F223-A226 PolarHBondContact O-N 3.03Å; F223-F227 PolarHBondContact O-N 2.99Å
224I96.7Very high95.4Very high1 Ų154.3 Ų54.31%0.00526%0.259CS..Hα-helixtrans-61.7-46.6176.6-63.7163.6000110.5L140 E151 I154 A155 A220 A226 F227 R228L140-I224 HydrophobicContact CD1-CG2 4.46Å; E151-I224 HydrophobicContact CB-CD1 4.23Å; E151-I224 VanDerWaalsContact O-CD1 3.31Å; E151-I224 WeakPolarHBondContact O-CD1 3.41Å; I154-I224 HydrophobicContact CB-CD1 3.69Å; I154-I224 HydrophobicContact CB-CG1 4.36Å; I154-I224 HydrophobicContact CG2-CD1 3.66Å; I154-I224 HydrophobicContact CG2-CG1 3.87Å; I154-I224 HydrophobicContact CG2-CG2 4.28Å; A155-I224 HydrophobicContact CB-CD1 4.35Å; A155-I224 HydrophobicContact CB-CG1 4.27Å; A220-I224 VanDerWaalsContact O-CG1 3.32Å; A220-I224 WeakPolarHBondContact O-CG1 3.42Å; A220-I224 PolarHBondContact O-N 2.94Å; I224-A226 PolarHBondContact O-N 3.43Å; I224-F227 WeakPolarHBondContact O-CB 3.25Å; I224-F227 PolarHBondContact O-N 3.05Å; I224-F227 VanDerWaalsContact O-N 3.07Å; I224-R228 VanDerWaalsContact CG2-CZ 3.43Å; I224-R228 PolarHBondContact O-N 2.81Å; I224-R228 VanDerWaalsContact O-N 3.11Å
225R94.1Very high95.4Very high154 Ų15456 Ų5658%0.58126%0.263SS*.Hα-helixtrans-65-26.7178.5-174.3175.6173.7-171.5-3.1112.9Y221 F223 F227 R228Y221-R225 WeakPolarHBondContact O-CB 3.36Å; Y221-R225 PolarHBondContact O-N 2.84Å; F223-R225 PolarHBondContact O-N 3.33Å; R225-F227 VanDerWaalsContact C-N 3.29Å; R225-R228 VanDerWaalsContact O-OXT 3.08Å
226A93.8Very high95.3Very high41 Ų4157.6 Ų57.634%0.33927%0.269SS..Hα-helixtrans-76-19.1175.700000113.2Y174 N222 F223 I224Y174-A226 WeakPolarHBondContact OH-CB 3.44Å; N222-A226 WeakPolarHBondContact O-CB 3.44Å; N222-A226 PolarHBondContact O-N 2.99Å; F223-A226 WeakPolarHBondContact O-CB 3.41Å; F223-A226 PolarHBondContact O-N 3.03Å; I224-A226 PolarHBondContact O-N 3.43Å
227F92.9Very high95.3Very high100 Ų10055.5 Ų55.544%0.43926%0.264SS..Hα-helixtrans-83.9-39.8171.7168-92.6000112.4L140 L158 F223 I224 R225L140-F227 HydrophobicContact CD1-CD1 3.7Å; L140-F227 HydrophobicContact CD1-CE1 4.04Å; L140-F227 HydrophobicContact CD1-CG 4.32Å; L140-F227 HydrophobicContact CD2-CD1 4.19Å; L140-F227 HydrophobicContact CD2-CE1 3.74Å; L140-F227 HydrophobicContact CD2-CE2 4.49Å; L140-F227 HydrophobicContact CD2-CZ 3.89Å; L140-F227 HydrophobicContact CG-CD1 3.69Å; L140-F227 HydrophobicContact CG-CE1 3.46Å; L140-F227 VanDerWaalsContact CG-CE1 3.46Å; L140-F227 HydrophobicContact CG-CZ 4.15Å; L158-F227 HydrophobicContact CD1-CB 4.05Å; L158-F227 HydrophobicContact CD1-CD1 4.41Å; L158-F227 HydrophobicContact CD1-CD2 3.48Å; L158-F227 VanDerWaalsContact CD1-CD2 3.48Å; L158-F227 HydrophobicContact CD1-CE2 4.01Å; L158-F227 HydrophobicContact CD1-CG 3.71Å; L158-F227 HydrophobicContact CD2-CB 3.7Å; L158-F227 HydrophobicContact CD2-CG 4.22Å; F223-F227 PolarHBondContact O-N 2.99Å; I224-F227 WeakPolarHBondContact O-CB 3.25Å; I224-F227 PolarHBondContact O-N 3.05Å; I224-F227 VanDerWaalsContact O-N 3.07Å; R225-F227 VanDerWaalsContact C-N 3.29Å
228R90.8Very high95.4Very high111 Ų11152.4 Ų52.442%0.41924%0.238SC..  trans-71.10178.2-67176.6-179.6159.92.3112.6A139 L140 G142 D146 I224 R225A139-R228 PolarHBondContact O-NH2 2.67Å; L140-R228 WeakPolarHBondContact O-CG 3.39Å; L140-R228 PolarHBondContact O-NE 2.87Å; G142-R228 VanDerWaalsContact CA-CZ 3.49Å; D146-R228 IonicContact OD1-CZ 3.27Å; D146-R228 IonicContact OD1-NH1 2.94Å; D146-R228 PolarHBondContact OD1-NH1 2.94Å; D146-R228 IonicContact OD1-NH2 2.61Å; D146-R228 PolarHBondContact OD1-NH2 3.33Å; D146-R228 IonicContact OD2-CZ 2.8Å; D146-R228 IonicContact OD2-NH1 2.67Å; D146-R228 PolarHBondContact OD2-NH1 2.89Å; D146-R228 IonicContact OD2-NH2 3.43Å; D146-R228 PolarHBondContact OD2-NH2 3.36Å; I224-R228 VanDerWaalsContact CG2-CZ 3.43Å; I224-R228 PolarHBondContact O-N 2.81Å; I224-R228 VanDerWaalsContact O-N 3.11Å; R225-R228 VanDerWaalsContact O-OXT 3.08Å

Retrieved 228 of 228 residues in 108.8 ms (Link to these results)

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