A0A5K4EZX0_SCHMA Loading...

Glycerol-3-phosphate dehydrogenase [NAD(+)]

AlphaFold DB , UniProt , Accession A0A5K4EZX0, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 366 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
1M75.2Confident94.5Very high234 Ų23441.2 Ų41.2100%1.15321%0.212SC*.  0125.80-166.9-177.7-93.800106.2
2T93.6Very high94.4Very high57 Ų5741.3 Ų41.335%0.3522%0.219SC..PPolyproline II helixtrans-73.3140.4-176.255.20000110.9D29 E30T2-D29 WeakPolarHBondContact CG2-O 3.14Å; T2-E30 CarbonylContact C-O 3.55Å; T2-E30 WeakPolarHBondContact CA-O 3.46Å
3K97.7Very high94.3Very high59 Ų5942.2 Ų42.226%0.25722%0.217SC..BIsolated β-bridgetrans-77.4137.3-178.1-76.4175.2177.2177.50112.2E30 F31 Y32 D86 E177K3-E30 PolarHBondContact N-O 3.28Å; K3-F31 HydrophobicContact CB-CD1 4.13Å; K3-F31 CarbonylContact O-C 3.5Å; K3-F31 WeakPolarHBondContact O-CA 3.18Å; K3-Y32 PolarHBondContact O-N 3.46Å; K3-D86 WeakPolarHBondContact CA-OD2 3.39Å; K3-D86 HydrophobicContact CB-CB 3.97Å; K3-D86 HydrophobicContact CG-CB 4.01Å; K3-E177 WeakPolarHBondContact CD-OE1 3.47Å; K3-E177 VanDerWaalsContact CE-OE1 3.31Å; K3-E177 WeakPolarHBondContact CE-OE1 3.32Å; K3-E177 IonicContact NZ-OE1 3.39Å; K3-E177 PolarHBondContact NZ-OE1 2.93Å; K3-E177 IonicContact NZ-OE2 2.67Å; K3-E177 PolarHBondContact NZ-OE2 3.35Å
4R98.2Very high94.4Very high71 Ų7139.2 Ų39.227%0.26820%0.203SC..PPolyproline II helixtrans-92.8131.3177.4-71.9-176.3177.3177.74.4111.4Y32 N84 D86 I87R4-Y32 HydrophobicContact CG-CD1 3.91Å; R4-Y32 HydrophobicContact CG-CG 3.97Å; R4-N84 WeakPolarHBondContact CB-O 3.5Å; R4-N84 VanDerWaalsContact NH1-CB 3.32Å; R4-D86 PolarHBondContact N-OD2 2.93Å; R4-D86 PolarHBondContact O-N 3.27Å; R4-I87 PolarHBondContact O-N 2.88Å; R4-I87 VanDerWaalsContact O-N 3.14Å
5V98.7Very high94.6Very high1 Ų136.6 Ų36.61%0.00619%0.189CC..EExtended strand (participates in β ladder)trans-105.7133.4176.1-170.10000109.3V21 F31 Y36 I87 M89 L181V5-V21 HydrophobicContact CB-CG1 4.05Å; V5-V21 HydrophobicContact CG1-CG1 3.73Å; V5-V21 HydrophobicContact CG2-CG1 4.41Å; V5-F31 HydrophobicContact CG2-CD1 4.3Å; V5-Y36 PolarHBondContact O-N 3.32Å; V5-I87 HydrophobicContact CG1-CB 4.37Å; V5-I87 HydrophobicContact CG1-CG2 4.45Å; V5-I87 HydrophobicContact CG2-CB 4.37Å; V5-I87 HydrophobicContact CG2-CD1 4.25Å; V5-M89 HydrophobicContact CG1-CE 3.87Å; V5-M89 HydrophobicContact CG1-CG 4.29Å; V5-M89 HydrophobicContact CG1-SD 4.11Å; V5-L181 HydrophobicContact CG2-CD1 3.91Å; V5-L181 HydrophobicContact CG2-CD2 3.77Å
6S98.7Very high94.7Very high1 Ų134.4 Ų34.41%0.00718%0.178CC..EExtended strand (participates in β ladder)trans-126.8134.2175.1-67.50000111Y36 V81 A85 I87 M89S6-Y36 CarbonylContact C-O 3.6Å; S6-Y36 WeakPolarHBondContact CA-O 3.26Å; S6-V81 WeakPolarHBondContact CB-O 3.41Å; S6-V81 PolarHBondContact OG-O 2.96Å; S6-A85 WeakPolarHBondContact OG-CB 3.19Å; S6-I87 PolarHBondContact N-O 3.38Å; S6-M89 PolarHBondContact O-N 2.95Å
7V98.7Very high94.9Very high0 Ų032.5 Ų32.50%017%0.168CC..EExtended strand (participates in β ladder)trans-103.7133.4175.1-176.60000109I17 V18 V35 Y36 W37 Y38 M89V7-I17 HydrophobicContact CG1-CG2 4.49Å; V7-I17 HydrophobicContact CG2-CG2 4.32Å; V7-V18 HydrophobicContact CB-CB 4.23Å; V7-V18 HydrophobicContact CB-CG2 4.33Å; V7-V18 HydrophobicContact CG1-CB 4.38Å; V7-V18 HydrophobicContact CG2-CB 3.92Å; V7-V18 HydrophobicContact CG2-CG2 3.99Å; V7-V35 HydrophobicContact CG2-CG1 4.26Å; V7-Y36 PolarHBondContact N-O 2.82Å; V7-W37 WeakPolarHBondContact O-CA 3.44Å; V7-Y38 PolarHBondContact O-N 3.05Å; V7-M89 CarbonylContact C-O 3.53Å; V7-M89 WeakPolarHBondContact CA-O 3.26Å; V7-M89 HydrophobicContact CG2-CB 4.16Å; V7-M89 HydrophobicContact CG2-SD 4.46Å
8L98.1Very high95.1Very high0 Ų030.7 Ų30.70%016%0.159CC..EExtended strand (participates in β ladder)trans-115.4111.2177.8-51.1-177.4000108.1Y38 V81 V82 L88 M89 V90 A91 Y92 L100L8-Y38 HydrophobicContact CD2-CG 4.39Å; L8-V81 HydrophobicContact CD2-CG1 3.86Å; L8-V82 HydrophobicContact CD1-CG2 4.28Å; L8-V82 HydrophobicContact CD2-CG2 3.94Å; L8-L88 HydrophobicContact CD1-CD2 4.21Å; L8-M89 PolarHBondContact N-O 3.38Å; L8-V90 HydrophobicContact CD1-CG2 4.31Å; L8-A91 PolarHBondContact O-N 2.85Å; L8-Y92 HydrophobicContact CB-CD2 4.4Å; L8-Y92 HydrophobicContact CB-CE2 3.9Å; L8-Y92 VanDerWaalsContact O-CD2 3.25Å; L8-Y92 WeakPolarHBondContact O-CD2 2.92Å; L8-Y92 VanDerWaalsContact O-CE2 3.26Å; L8-Y92 WeakPolarHBondContact O-CE2 3.24Å; L8-L100 HydrophobicContact CB-CD2 4.44Å; L8-L100 HydrophobicContact CD1-CD1 4.28Å; L8-L100 HydrophobicContact CD1-CD2 4.24Å
9G94.8Very high95.2Very high1 Ų129.9 Ų29.91%0.0115%0.154CC..  trans127.3122.9179.300000111.6G14 W37 Y38 Y92G9-G14 WeakPolarHBondContact O-CA 3.38Å; G9-W37 PolarHBondContact O-NE1 3.29Å; G9-Y38 PolarHBondContact N-O 3.09Å; G9-Y92 VanDerWaalsContact CA-CE2 3.4Å; G9-Y92 VanDerWaalsContact CA-CZ 3.5Å; G9-Y92 VanDerWaalsContact N-CE2 3.27Å
10C93.2Very high95.4Very high6 Ų628.4 Ų28.44%0.04115%0.146CC..  trans-102.15-174.654.10000115.4T15 W37 V39 R40 L49 N59 Y62C10-T15 PolarHBondContact O-OG1 2.87Å; C10-W37 HydrophobicContact CB-CZ2 4.13Å; C10-V39 HydrophobicContact CB-CB 4.15Å; C10-V39 HydrophobicContact CB-CG1 3.82Å; C10-V39 HydrophobicContact CB-CG2 4.12Å; C10-R40 PolarHBondContact SG-N 3.43Å; C10-R40 VanDerWaalsContact SG-N 3.44Å; C10-L49 HydrophobicContact CB-CD2 4.4Å; C10-N59 PolarHBondContact O-ND2 3.43Å; C10-Y62 WeakPolarHBondContact O-CD2 3.38Å; C10-Y62 WeakPolarHBondContact O-CE2 3.39Å
11G92.6Very high95.5Very high23 Ų2327 Ų2724%0.23714%0.139CC..SBendtrans-66.6-179.4176.100000113.1W13 G14 T15G11-W13 VanDerWaalsContact C-N 3.29Å; G11-W13 PolarHBondContact O-N 3.34Å; G11-G14 PolarHBondContact O-N 2.8Å; G11-T15 WeakPolarHBondContact O-CB 3.48Å; G11-T15 PolarHBondContact O-N 3.47Å; G11-T15 PolarHBondContact O-OG1 3.18Å
12S93Very high96.6Very high43 Ų4315.9 Ų15.930%0.3018%0.084SC..Hα-helixtrans-56.6-42.9-177.8-500000112T15 A16 Y62 A154S12-T15 WeakPolarHBondContact O-CB 3.47Å; S12-T15 PolarHBondContact O-N 3.34Å; S12-A16 PolarHBondContact O-N 2.95Å; S12-Y62 PolarHBondContact OG-O 3.05Å; S12-A154 VanDerWaalsContact C-CB 3.48Å; S12-A154 WeakPolarHBondContact O-CB 3.46Å
13W93.6Very high96.8Very high52 Ų5216.2 Ų16.220%0.1978%0.084CC..Hα-helixtrans-66.8-45.9177.6-168.9-121.7000113.2G11 T15 A16 I17 F117 T152 A154 V157G11-W13 VanDerWaalsContact C-N 3.29Å; G11-W13 PolarHBondContact O-N 3.34Å; W13-T15 PolarHBondContact O-N 3.17Å; W13-A16 HydrophobicContact CE3-CB 4.14Å; W13-A16 HydrophobicContact CZ3-CB 4.29Å; W13-A16 PolarHBondContact O-N 2.91Å; W13-A16 VanDerWaalsContact O-N 3.09Å; W13-I17 HydrophobicContact CD2-CG1 4.31Å; W13-I17 HydrophobicContact CG-CG1 4.49Å; W13-I17 HydrophobicContact CH2-CD1 4.23Å; W13-I17 HydrophobicContact CZ2-CD1 3.61Å; W13-I17 HydrophobicContact CZ2-CG1 4.22Å; W13-I17 WeakPolarHBondContact O-CG1 3.45Å; W13-I17 PolarHBondContact O-N 2.8Å; W13-F117 HydrophobicContact CZ2-CD1 4.42Å; W13-F117 AromaticContact NE1-CD1 3.58Å; W13-F117 AromaticContact NE1-CG 3.69Å; W13-T152 VanDerWaalsContact CH2-CB 3.43Å; W13-T152 HydrophobicContact CH2-CG2 4.04Å; W13-T152 WeakPolarHBondContact CH2-OG1 3.34Å; W13-T152 WeakPolarHBondContact CZ2-OG1 3.43Å; W13-A154 HydrophobicContact CE3-CB 4Å; W13-V157 HydrophobicContact CH2-CG2 4Å; W13-V157 HydrophobicContact CZ3-CB 4.22Å; W13-V157 HydrophobicContact CZ3-CG2 3.84Å
14G96.1Very high96.8Very high1 Ų114.8 Ų14.81%0.018%0.079CC..Hα-helixtrans-59.4-34.3175.200000112.7G9 G11 V18G9-G14 WeakPolarHBondContact O-CA 3.38Å; G11-G14 PolarHBondContact O-N 2.8Å; G14-V18 WeakPolarHBondContact O-CB 3.31Å; G14-V18 WeakPolarHBondContact O-CG1 3.16Å; G14-V18 PolarHBondContact O-N 3.41Å
15T97.2Very high96.8Very high0 Ų011.4 Ų11.40%07%0.066CC..Hα-helixtrans-67.5-41.7174.2-51.50000112.2C10 G11 S12 W13 V18 K19 W37 N59 L63 L66 L68C10-T15 PolarHBondContact O-OG1 2.87Å; G11-T15 WeakPolarHBondContact O-CB 3.48Å; G11-T15 PolarHBondContact O-N 3.47Å; G11-T15 PolarHBondContact O-OG1 3.18Å; S12-T15 WeakPolarHBondContact O-CB 3.47Å; S12-T15 PolarHBondContact O-N 3.34Å; W13-T15 PolarHBondContact O-N 3.17Å; T15-V18 VanDerWaalsContact O-CG1 3.31Å; T15-V18 WeakPolarHBondContact O-CG1 3.29Å; T15-K19 PolarHBondContact O-N 3.05Å; T15-K19 VanDerWaalsContact O-N 3.16Å; T15-W37 HydrophobicContact CG2-CH2 3.88Å; T15-W37 WeakPolarHBondContact OG1-CH2 3.5Å; T15-W37 WeakPolarHBondContact OG1-CZ2 3.27Å; T15-N59 HydrophobicContact CG2-CB 3.92Å; T15-N59 PolarHBondContact OG1-ND2 3.13Å; T15-L63 HydrophobicContact CG2-CB 4.23Å; T15-L63 HydrophobicContact CG2-CD1 3.71Å; T15-L63 HydrophobicContact CG2-CG 4.31Å; T15-L66 HydrophobicContact CG2-CD2 3.95Å; T15-L68 HydrophobicContact CG2-CD2 3.89Å
16A96.3Very high96.6Very high1 Ų116.3 Ų16.31%0.00810%0.096CC..Hα-helixtrans-64.7-43.2175.300000112S12 W13 K19 A20 A154 V157 V158S12-A16 PolarHBondContact O-N 2.95Å; W13-A16 HydrophobicContact CE3-CB 4.14Å; W13-A16 HydrophobicContact CZ3-CB 4.29Å; W13-A16 PolarHBondContact O-N 2.91Å; W13-A16 VanDerWaalsContact O-N 3.09Å; A16-K19 PolarHBondContact O-N 3.35Å; A16-A20 PolarHBondContact O-N 3.45Å; A16-A20 VanDerWaalsContact O-N 3.09Å; A16-A154 HydrophobicContact CB-CB 4.28Å; A16-V157 HydrophobicContact CB-CG1 4.23Å; A16-V158 HydrophobicContact CB-CG1 3.55Å
17I97.7Very high96.3Very high2 Ų221.2 Ų21.21%0.0113%0.13CC..Hα-helixtrans-64.6-48.4178.2-65.9-56.4000111.4V7 W13 K19 A20 V21 M89 F117 L182V7-I17 HydrophobicContact CG1-CG2 4.49Å; V7-I17 HydrophobicContact CG2-CG2 4.32Å; W13-I17 HydrophobicContact CD2-CG1 4.31Å; W13-I17 HydrophobicContact CG-CG1 4.49Å; W13-I17 HydrophobicContact CH2-CD1 4.23Å; W13-I17 HydrophobicContact CZ2-CD1 3.61Å; W13-I17 HydrophobicContact CZ2-CG1 4.22Å; W13-I17 WeakPolarHBondContact O-CG1 3.45Å; W13-I17 PolarHBondContact O-N 2.8Å; I17-K19 VanDerWaalsContact C-N 3.27Å; I17-K19 PolarHBondContact O-N 3.01Å; I17-A20 PolarHBondContact O-N 3.07Å; I17-V21 HydrophobicContact CG2-CG2 4.23Å; I17-V21 VanDerWaalsContact O-CG2 3.29Å; I17-V21 WeakPolarHBondContact O-CG2 3.32Å; I17-V21 PolarHBondContact O-N 3.35Å; I17-M89 HydrophobicContact CG2-SD 3.82Å; I17-F117 HydrophobicContact CD1-CD1 3.9Å; I17-F117 HydrophobicContact CD1-CE1 3.45Å; I17-F117 VanDerWaalsContact CD1-CE1 3.45Å; I17-F117 HydrophobicContact CD1-CZ 3.89Å; I17-F117 HydrophobicContact CG1-CD1 4.22Å; I17-F117 HydrophobicContact CG1-CE1 4.02Å; I17-F117 HydrophobicContact CG1-CE2 4.48Å; I17-F117 HydrophobicContact CG1-CG 4.5Å; I17-F117 HydrophobicContact CG1-CZ 4.16Å; I17-F117 HydrophobicContact CG2-CE2 4.06Å; I17-F117 HydrophobicContact CG2-CZ 3.89Å; I17-L182 HydrophobicContact CD1-CD2 4.14Å; I17-L182 HydrophobicContact CG2-CD2 4.14Å
18V98.5Very high96.2Very high0 Ų022.7 Ų22.70%014%0.14CC..Hα-helixtrans-63.2-35.5-179.273.40000111.6V7 G14 T15 A22 V35 W37 I72V7-V18 HydrophobicContact CB-CB 4.23Å; V7-V18 HydrophobicContact CB-CG2 4.33Å; V7-V18 HydrophobicContact CG1-CB 4.38Å; V7-V18 HydrophobicContact CG2-CB 3.92Å; V7-V18 HydrophobicContact CG2-CG2 3.99Å; G14-V18 WeakPolarHBondContact O-CB 3.31Å; G14-V18 WeakPolarHBondContact O-CG1 3.16Å; G14-V18 PolarHBondContact O-N 3.41Å; T15-V18 VanDerWaalsContact O-CG1 3.31Å; T15-V18 WeakPolarHBondContact O-CG1 3.29Å; V18-A22 WeakPolarHBondContact O-CB 3.43Å; V18-A22 PolarHBondContact O-N 3.48Å; V18-V35 HydrophobicContact CG2-CB 4.46Å; V18-V35 HydrophobicContact CG2-CG1 3.83Å; V18-W37 HydrophobicContact CB-CD2 4.33Å; V18-W37 HydrophobicContact CB-CG 4.47Å; V18-W37 HydrophobicContact CG1-CD2 3.9Å; V18-W37 HydrophobicContact CG1-CE3 3.86Å; V18-W37 HydrophobicContact CG1-CH2 4.08Å; V18-W37 HydrophobicContact CG1-CZ2 4.09Å; V18-W37 HydrophobicContact CG1-CZ3 3.96Å; V18-W37 HydrophobicContact CG2-CB 4.12Å; V18-W37 HydrophobicContact CG2-CD2 4.26Å; V18-W37 HydrophobicContact CG2-CE3 4.47Å; V18-W37 HydrophobicContact CG2-CG 4.12Å; V18-I72 HydrophobicContact CG1-CD1 4.05Å; V18-I72 HydrophobicContact CG2-CD1 3.95Å; V18-I72 HydrophobicContact CG2-CG1 4.04Å; V18-I72 HydrophobicContact CG2-CG2 4.06Å
19K97.9Very high96Very high16 Ų1630.4 Ų30.47%0.0718%0.182CC..Hα-helixtrans-59.4-56.1171.8-178.5-151178.3-76.10110.8T15 A16 I17 V21 A22 D23 L66 P69 V158 E160 Y186T15-K19 PolarHBondContact O-N 3.05Å; T15-K19 VanDerWaalsContact O-N 3.16Å; A16-K19 PolarHBondContact O-N 3.35Å; I17-K19 VanDerWaalsContact C-N 3.27Å; I17-K19 PolarHBondContact O-N 3.01Å; K19-V21 VanDerWaalsContact C-N 3.31Å; K19-V21 PolarHBondContact O-N 3.15Å; K19-A22 PolarHBondContact O-N 3.24Å; K19-A22 VanDerWaalsContact O-N 3.1Å; K19-D23 IonicContact NZ-OD2 3.04Å; K19-D23 PolarHBondContact NZ-OD2 3.34Å; K19-D23 PolarHBondContact O-N 2.97Å; K19-L66 HydrophobicContact CD-CD1 3.95Å; K19-L66 HydrophobicContact CD-CD2 4.31Å; K19-P69 HydrophobicContact CG-CG 4.28Å; K19-V158 HydrophobicContact CD-CB 4.43Å; K19-V158 HydrophobicContact CD-CG1 4.22Å; K19-E160 IonicContact NZ-OE1 2.77Å; K19-Y186 PolarHBondContact NZ-OH 3.18Å
20A97.7Very high96Very high0 Ų033.3 Ų33.30%020%0.195CC..Hα-helixtrans-58.6-43.2-177.200000112.2A16 I17 N24 M187A16-A20 PolarHBondContact O-N 3.45Å; A16-A20 VanDerWaalsContact O-N 3.09Å; I17-A20 PolarHBondContact O-N 3.07Å; A20-N24 WeakPolarHBondContact O-CB 3.42Å; A20-N24 PolarHBondContact O-N 3.35Å; A20-N24 VanDerWaalsContact O-N 3.12Å; A20-N24 PolarHBondContact O-ND2 3.35Å; A20-M187 HydrophobicContact CB-CE 4.03Å
21V98.5Very high96.3Very high0 Ų033.3 Ų33.30%020%0.195CC..Hα-helixtrans-62.9-47.7174.8175.80000110.8V5 I17 K19 D23 N24 V25 V35 M89 L181 L182V5-V21 HydrophobicContact CB-CG1 4.05Å; V5-V21 HydrophobicContact CG1-CG1 3.73Å; V5-V21 HydrophobicContact CG2-CG1 4.41Å; I17-V21 HydrophobicContact CG2-CG2 4.23Å; I17-V21 VanDerWaalsContact O-CG2 3.29Å; I17-V21 WeakPolarHBondContact O-CG2 3.32Å; I17-V21 PolarHBondContact O-N 3.35Å; K19-V21 VanDerWaalsContact C-N 3.31Å; K19-V21 PolarHBondContact O-N 3.15Å; V21-D23 VanDerWaalsContact C-N 3.32Å; V21-D23 PolarHBondContact O-N 3.43Å; V21-N24 PolarHBondContact O-N 3.48Å; V21-V25 HydrophobicContact CG1-CG1 4.03Å; V21-V25 WeakPolarHBondContact O-CG1 3.46Å; V21-V25 WeakPolarHBondContact O-CG2 3.39Å; V21-V25 PolarHBondContact O-N 3.14Å; V21-V35 HydrophobicContact CG1-CG1 3.99Å; V21-V35 HydrophobicContact CG1-CG2 3.76Å; V21-M89 HydrophobicContact CG2-CE 3.84Å; V21-M89 HydrophobicContact CG2-SD 3.57Å; V21-M89 VanDerWaalsContact CG2-SD 3.57Å; V21-L181 WeakPolarHBondContact CA-O 3.48Å; V21-L181 HydrophobicContact CG1-CD2 4.3Å; V21-L182 HydrophobicContact CG2-CD2 3.85Å
22A98.4Very high96.5Very high0 Ų035.2 Ų35.20%020%0.195CC..Hα-helixtrans-62.4-38.9-177.700000112.7V18 K19 V25 V26 V35 P69 N71 I72V18-A22 WeakPolarHBondContact O-CB 3.43Å; V18-A22 PolarHBondContact O-N 3.48Å; K19-A22 PolarHBondContact O-N 3.24Å; K19-A22 VanDerWaalsContact O-N 3.1Å; A22-V25 WeakPolarHBondContact O-CG2 3.24Å; A22-V26 WeakPolarHBondContact O-CG2 3.26Å; A22-V35 HydrophobicContact CB-CG2 3.98Å; A22-P69 HydrophobicContact CB-CB 3.8Å; A22-P69 HydrophobicContact CB-CG 3.93Å; A22-N71 PolarHBondContact O-ND2 2.89Å; A22-I72 HydrophobicContact CB-CD1 3.77Å; A22-I72 HydrophobicContact CB-CG1 3.49Å; A22-I72 VanDerWaalsContact CB-CG1 3.49Å
23D97.4Very high96.7Very high64 Ų6436.2 Ų36.234%0.34220%0.202SC..Hα-helixtrans-62.6-46.4173.4-68.7-26000110.8K19 V21 P69K19-D23 IonicContact NZ-OD2 3.04Å; K19-D23 PolarHBondContact NZ-OD2 3.34Å; K19-D23 PolarHBondContact O-N 2.97Å; V21-D23 VanDerWaalsContact C-N 3.32Å; V21-D23 PolarHBondContact O-N 3.43Å; D23-P69 WeakPolarHBondContact OD1-CG 3.39Å
24N97.9Very high96.9Very high28 Ų2838 Ų3815%0.1521%0.211CC..Hα-helixtrans-71.7-39.1-175.3-75.4-25.6000113.7A20 V21 V26 S27 L181 Q183A20-N24 WeakPolarHBondContact O-CB 3.42Å; A20-N24 PolarHBondContact O-N 3.35Å; A20-N24 VanDerWaalsContact O-N 3.12Å; A20-N24 PolarHBondContact O-ND2 3.35Å; V21-N24 PolarHBondContact O-N 3.48Å; N24-V26 PolarHBondContact O-N 2.98Å; N24-S27 PolarHBondContact O-N 3.37Å; N24-S27 PolarHBondContact O-OG 2.9Å; N24-L181 PolarHBondContact ND2-O 2.89Å; N24-Q183 PolarHBondContact ND2-O 3.09Å; N24-Q183 PolarHBondContact OD1-O 3.38Å
25V97.9Very high97Very high1 Ų138 Ų381%0.00621%0.211CC..Hα-helixtrans-67.3-23.4-177.5-62.50000113.4V21 A22 S27 S28 F31 V35 L181V21-V25 HydrophobicContact CG1-CG1 4.03Å; V21-V25 WeakPolarHBondContact O-CG1 3.46Å; V21-V25 WeakPolarHBondContact O-CG2 3.39Å; V21-V25 PolarHBondContact O-N 3.14Å; A22-V25 WeakPolarHBondContact O-CG2 3.24Å; V25-S27 PolarHBondContact O-N 2.91Å; V25-S28 PolarHBondContact O-N 2.73Å; V25-F31 HydrophobicContact CB-CB 3.94Å; V25-F31 HydrophobicContact CG1-CB 3.61Å; V25-F31 HydrophobicContact CG1-CD2 4.17Å; V25-F31 HydrophobicContact CG1-CG 4.04Å; V25-V35 HydrophobicContact CG1-CG2 4.42Å; V25-V35 HydrophobicContact CG2-CG2 3.69Å; V25-L181 HydrophobicContact CG1-CD2 3.73Å
26V95.4Very high97.1Very high103 Ų10340.3 Ų40.362%0.62422%0.22SC*.Hα-helixtrans-65.6-30.7178.21720000111.7A22 N24 N71A22-V26 WeakPolarHBondContact O-CG2 3.26Å; N24-V26 PolarHBondContact O-N 2.98Å; V26-N71 WeakPolarHBondContact CG2-ND2 3.46Å
27S92.3Very high97.2Very high104 Ų10440.2 Ų40.273%0.72722%0.219SC*.THydrogen-bonded Turntrans-92.84.4-178.368.90000114.2N24 V25N24-S27 PolarHBondContact O-N 3.37Å; N24-S27 PolarHBondContact O-OG 2.9Å; V25-S27 PolarHBondContact O-N 2.91Å
28S94.9Very high97.2Very high31 Ų3142.1 Ų42.122%0.21723%0.227CC..  trans-124.1128-171179.50000112.7V25 E30 F31V25-S28 PolarHBondContact O-N 2.73Å; S28-E30 PolarHBondContact O-N 3.1Å; S28-E30 WeakPolarHBondContact OG-CB 3.23Å; S28-E30 PolarHBondContact OG-N 3.39Å; S28-F31 WeakPolarHBondContact OG-CD2 3.38Å
29D94.4Very high97.2Very high162 Ų16242.1 Ų42.187%0.86623%0.227SC*.SBendtrans-78.3-6.3172.4-64.2-40.1000113.1T2T2-D29 WeakPolarHBondContact CG2-O 3.14Å
30E96.2Very high97Very high62 Ų6246.2 Ų46.229%0.2924%0.242SC..SBendtrans-78.4-33.6178.6-175.7178-171.300111.7T2 K3 S28 R180T2-E30 CarbonylContact C-O 3.55Å; T2-E30 WeakPolarHBondContact CA-O 3.46Å; K3-E30 PolarHBondContact N-O 3.28Å; S28-E30 PolarHBondContact O-N 3.1Å; S28-E30 WeakPolarHBondContact OG-CB 3.23Å; S28-E30 PolarHBondContact OG-N 3.39Å; E30-R180 IonicContact OE1-CZ 3.53Å; E30-R180 IonicContact OE1-NH2 2.73Å; E30-R180 PolarHBondContact OE1-NH2 3.15Å; E30-R180 IonicContact OE2-CZ 3.88Å; E30-R180 IonicContact OE2-NE 2.97Å; E30-R180 PolarHBondContact OE2-NE 3.48Å; E30-R180 IonicContact OE2-NH2 2.59Å; E30-R180 PolarHBondContact OE2-NH2 3.07Å
31F97.9Very high96.7Very high7 Ų749.1 Ų49.13%0.03126%0.257CS..BIsolated β-bridgetrans-110.2149.3-169.7-55.2-63.3000111.8K3 V5 V25 S28 S33 I87 E177 R180 L181K3-F31 HydrophobicContact CB-CD1 4.13Å; K3-F31 CarbonylContact O-C 3.5Å; K3-F31 WeakPolarHBondContact O-CA 3.18Å; V5-F31 HydrophobicContact CG2-CD1 4.3Å; V25-F31 HydrophobicContact CB-CB 3.94Å; V25-F31 HydrophobicContact CG1-CB 3.61Å; V25-F31 HydrophobicContact CG1-CD2 4.17Å; V25-F31 HydrophobicContact CG1-CG 4.04Å; S28-F31 WeakPolarHBondContact OG-CD2 3.38Å; F31-S33 PolarHBondContact O-N 3.18Å; F31-I87 HydrophobicContact CE1-CD1 4.09Å; F31-E177 HydrophobicContact CE1-CG 3.82Å; F31-E177 HydrophobicContact CZ-CG 3.8Å; F31-R180 HydrophobicContact CE2-CB 4.36Å; F31-L181 HydrophobicContact CD1-CD2 3.77Å; F31-L181 HydrophobicContact CD1-CG 4.46Å; F31-L181 HydrophobicContact CD2-CD2 3.52Å; F31-L181 HydrophobicContact CD2-CG 4.41Å; F31-L181 HydrophobicContact CE1-CD1 3.97Å; F31-L181 HydrophobicContact CE1-CD2 3.72Å; F31-L181 HydrophobicContact CE1-CG 3.91Å; F31-L181 HydrophobicContact CE2-CD2 3.46Å; F31-L181 VanDerWaalsContact CE2-CD2 3.46Å; F31-L181 HydrophobicContact CE2-CG 3.86Å; F31-L181 HydrophobicContact CG-CD2 3.69Å; F31-L181 HydrophobicContact CZ-CD1 4.09Å; F31-L181 HydrophobicContact CZ-CD2 3.57Å; F31-L181 HydrophobicContact CZ-CG 3.58Å
32Y97.7Very high96.5Very high63 Ų6351.5 Ų51.525%0.24727%0.268CS..  trans-66.2133.2172.3-173-119.7000108.4K3 R4 K34 Y36K3-Y32 PolarHBondContact O-N 3.46Å; R4-Y32 HydrophobicContact CG-CD1 3.91Å; R4-Y32 HydrophobicContact CG-CG 3.97Å; Y32-K34 HydrophobicContact CD1-CB 3.96Å; Y32-K34 WeakPolarHBondContact CD1-O 3.28Å; Y32-K34 HydrophobicContact CE1-CB 3.71Å; Y32-K34 HydrophobicContact CE1-CD 4.24Å; Y32-K34 HydrophobicContact CE1-CG 4.03Å; Y32-K34 PolarHBondContact O-N 3.36Å; Y32-Y36 HydrophobicContact CD1-CE2 4.29Å; Y32-Y36 HydrophobicContact CE1-CE2 4.03Å
33S96.8Very high96.4Very high64 Ų6459.3 Ų59.345%0.44831%0.305SS..SBendtrans-63.3-14.9-171.358.50000114.4F31 N71F31-S33 PolarHBondContact O-N 3.18Å; S33-N71 VanDerWaalsContact O-CB 3.28Å; S33-N71 WeakPolarHBondContact O-CB 3.36Å; S33-N71 PolarHBondContact O-ND2 3.43Å
34K98.1Very high96.3Very high89 Ų8960.1 Ų60.139%0.38730%0.304SS..  trans-106.5138.8177.3-53.6-172.9176.6-175.20111.5Y32 N71 I73Y32-K34 HydrophobicContact CD1-CB 3.96Å; Y32-K34 WeakPolarHBondContact CD1-O 3.28Å; Y32-K34 HydrophobicContact CE1-CB 3.71Å; Y32-K34 HydrophobicContact CE1-CD 4.24Å; Y32-K34 HydrophobicContact CE1-CG 4.03Å; Y32-K34 PolarHBondContact O-N 3.36Å; K34-N71 VanDerWaalsContact CA-O 3.29Å; K34-N71 WeakPolarHBondContact CA-O 3.34Å; K34-I73 HydrophobicContact CB-CD1 4.28Å; K34-I73 HydrophobicContact CD-CD1 3.55Å; K34-I73 HydrophobicContact CD-CG1 4.44Å; K34-I73 HydrophobicContact CG-CD1 4.5Å
35V98.6Very high96.1Very high0 Ų064.7 Ų64.70%032%0.324CS..EExtended strand (participates in β ladder)trans-107.2126.2175.7-172.30000108.9V7 V18 V21 A22 V25 N71 I73V7-V35 HydrophobicContact CG2-CG1 4.26Å; V18-V35 HydrophobicContact CG2-CB 4.46Å; V18-V35 HydrophobicContact CG2-CG1 3.83Å; V21-V35 HydrophobicContact CG1-CG1 3.99Å; V21-V35 HydrophobicContact CG1-CG2 3.76Å; A22-V35 HydrophobicContact CB-CG2 3.98Å; V25-V35 HydrophobicContact CG1-CG2 4.42Å; V25-V35 HydrophobicContact CG2-CG2 3.69Å; V35-N71 PolarHBondContact N-O 3.22Å; V35-I73 PolarHBondContact O-N 3.05Å
36Y98.5Very high95.9Very high49 Ų4972.5 Ų72.519%0.19237%0.366CS..EExtended strand (participates in β ladder)trans-92.1139.2177.9-70.8-96.9000110.1V5 S6 V7 Y32 I73V5-Y36 PolarHBondContact O-N 3.32Å; S6-Y36 CarbonylContact C-O 3.6Å; S6-Y36 WeakPolarHBondContact CA-O 3.26Å; V7-Y36 PolarHBondContact N-O 2.82Å; Y32-Y36 HydrophobicContact CD1-CE2 4.29Å; Y32-Y36 HydrophobicContact CE1-CE2 4.03Å; Y36-I73 CarbonylContact C-O 3.59Å; Y36-I73 WeakPolarHBondContact CA-O 3.26Å; Y36-I73 HydrophobicContact CD1-CB 4.1Å; Y36-I73 HydrophobicContact CD1-CG2 4.12Å; Y36-I73 HydrophobicContact CE1-CB 4.26Å; Y36-I73 HydrophobicContact CE1-CD1 3.9Å; Y36-I73 HydrophobicContact CE1-CG2 4.14Å
37W98.6Very high95.9Very high0 Ų071.1 Ų71.10%035%0.35CS..EExtended strand (participates in β ladder)trans-131.4118.8-174.5-172.519.3000110.5V7 G9 C10 T15 V18 V39 I53 N59 L68 I72 I73 A74 S75V7-W37 WeakPolarHBondContact O-CA 3.44Å; G9-W37 PolarHBondContact O-NE1 3.29Å; C10-W37 HydrophobicContact CB-CZ2 4.13Å; T15-W37 HydrophobicContact CG2-CH2 3.88Å; T15-W37 WeakPolarHBondContact OG1-CH2 3.5Å; T15-W37 WeakPolarHBondContact OG1-CZ2 3.27Å; V18-W37 HydrophobicContact CB-CD2 4.33Å; V18-W37 HydrophobicContact CB-CG 4.47Å; V18-W37 HydrophobicContact CG1-CD2 3.9Å; V18-W37 HydrophobicContact CG1-CE3 3.86Å; V18-W37 HydrophobicContact CG1-CH2 4.08Å; V18-W37 HydrophobicContact CG1-CZ2 4.09Å; V18-W37 HydrophobicContact CG1-CZ3 3.96Å; V18-W37 HydrophobicContact CG2-CB 4.12Å; V18-W37 HydrophobicContact CG2-CD2 4.26Å; V18-W37 HydrophobicContact CG2-CE3 4.47Å; V18-W37 HydrophobicContact CG2-CG 4.12Å; W37-V39 HydrophobicContact CB-CG2 4.45Å; W37-V39 HydrophobicContact CD2-CG2 3.61Å; W37-V39 HydrophobicContact CE3-CG2 3.94Å; W37-V39 HydrophobicContact CG-CG2 3.84Å; W37-V39 HydrophobicContact CZ2-CG2 4.49Å; W37-V39 HydrophobicContact CZ3-CG2 4.48Å; W37-V39 PolarHBondContact O-N 3.16Å; W37-I53 HydrophobicContact CE3-CD1 3.93Å; W37-I53 HydrophobicContact CE3-CG2 3.97Å; W37-I53 HydrophobicContact CH2-CD1 3.94Å; W37-I53 HydrophobicContact CZ3-CD1 3.43Å; W37-I53 VanDerWaalsContact CZ3-CD1 3.43Å; W37-I53 HydrophobicContact CZ3-CG1 3.94Å; W37-I53 HydrophobicContact CZ3-CG2 3.9Å; W37-N59 HydrophobicContact CH2-CB 4.36Å; W37-L68 HydrophobicContact CZ3-CD1 3.89Å; W37-I72 HydrophobicContact CB-CG2 4.32Å; W37-I72 HydrophobicContact CE3-CG2 3.91Å; W37-I73 PolarHBondContact N-O 2.85Å; W37-A74 CarbonylContact O-C 3.58Å; W37-A74 WeakPolarHBondContact O-CA 3.25Å; W37-S75 PolarHBondContact O-N 3.43Å
38Y98.4Very high96.2Very high41 Ų4168 Ų6816%0.16133%0.328CS..EExtended strand (participates in β ladder)trans-79.8118.2172.2176.6-115.5000109.8V7 L8 G9 S75 S76 I78 Y92V7-Y38 PolarHBondContact O-N 3.05Å; L8-Y38 HydrophobicContact CD2-CG 4.39Å; G9-Y38 PolarHBondContact N-O 3.09Å; Y38-S75 WeakPolarHBondContact CA-O 3.38Å; Y38-S76 WeakPolarHBondContact CE2-O 3.38Å; Y38-I78 HydrophobicContact CD1-CD1 3.82Å; Y38-I78 HydrophobicContact CD1-CG1 4.04Å; Y38-I78 HydrophobicContact CD2-CB 3.66Å; Y38-I78 HydrophobicContact CD2-CD1 4.39Å; Y38-I78 HydrophobicContact CD2-CG1 3.82Å; Y38-I78 HydrophobicContact CE1-CB 4.5Å; Y38-I78 HydrophobicContact CE1-CD1 3.72Å; Y38-I78 HydrophobicContact CE1-CG1 4.22Å; Y38-I78 HydrophobicContact CE2-CB 3.54Å; Y38-I78 HydrophobicContact CE2-CD1 4.3Å; Y38-I78 HydrophobicContact CE2-CG1 4.02Å; Y38-I78 HydrophobicContact CG-CB 4.2Å; Y38-I78 HydrophobicContact CG-CD1 4.15Å; Y38-I78 HydrophobicContact CG-CG1 3.83Å; Y38-Y92 WeakPolarHBondContact CD1-OH 3.24Å; Y38-Y92 VanDerWaalsContact CE1-OH 3.31Å; Y38-Y92 WeakPolarHBondContact CE1-OH 3.4Å
39V97.3Very high96.3Very high0 Ų066.6 Ų66.60%032%0.318CS..  trans-120.8123.4-175.7176.20000108.5C10 W37 D41 L49 T50 I53 A74 S75 S76C10-V39 HydrophobicContact CB-CB 4.15Å; C10-V39 HydrophobicContact CB-CG1 3.82Å; C10-V39 HydrophobicContact CB-CG2 4.12Å; W37-V39 HydrophobicContact CB-CG2 4.45Å; W37-V39 HydrophobicContact CD2-CG2 3.61Å; W37-V39 HydrophobicContact CE3-CG2 3.94Å; W37-V39 HydrophobicContact CG-CG2 3.84Å; W37-V39 HydrophobicContact CZ2-CG2 4.49Å; W37-V39 HydrophobicContact CZ3-CG2 4.48Å; W37-V39 PolarHBondContact O-N 3.16Å; V39-D41 PolarHBondContact O-N 3.26Å; V39-L49 HydrophobicContact CG1-CB 4.17Å; V39-L49 HydrophobicContact CG1-CD2 3.55Å; V39-L49 HydrophobicContact CG1-CG 3.75Å; V39-T50 HydrophobicContact CB-CG2 3.89Å; V39-T50 HydrophobicContact CG1-CG2 4.04Å; V39-I53 HydrophobicContact CG1-CD1 4.01Å; V39-I53 HydrophobicContact CG2-CD1 3.78Å; V39-A74 HydrophobicContact CG2-CB 3.81Å; V39-S75 PolarHBondContact N-O 2.81Å; V39-S76 WeakPolarHBondContact O-CA 3.15Å
40R93.3Very high96.5Very high102 Ų10259.5 Ų59.539%0.38528%0.28SS..  trans-66.7118.4165.6-179179.362.4-160.93.6106.9C10 E42 Y62C10-R40 PolarHBondContact SG-N 3.43Å; C10-R40 VanDerWaalsContact SG-N 3.44Å; R40-E42 HydrophobicContact CG-CG 4.35Å; R40-E42 IonicContact CZ-OE1 3.43Å; R40-E42 IonicContact NE-OE1 3.07Å; R40-E42 PolarHBondContact NE-OE1 2.82Å; R40-E42 VanDerWaalsContact NH2-CD 3.33Å; R40-E42 IonicContact NH2-OE1 3.24Å; R40-E42 PolarHBondContact NH2-OE1 3.4Å; R40-E42 IonicContact NH2-OE2 2.92Å; R40-E42 PolarHBondContact NH2-OE2 3.34Å; R40-E42 PolarHBondContact O-N 2.85Å; R40-Y62 PolarHBondContact NH2-OH 3.12Å; R40-Y62 VanDerWaalsContact NH2-OH 3.1Å
41D92.6Very high96.6Very high62 Ų6257.7 Ų57.733%0.33227%0.274SS..  trans-77.267.3-168.9-134.1-0.6000111.8V39 S48 L49 T50 S76V39-D41 PolarHBondContact O-N 3.26Å; D41-S48 VanDerWaalsContact OD1-CB 3.24Å; D41-S48 WeakPolarHBondContact OD1-CB 3.4Å; D41-S48 PolarHBondContact OD1-OG 3.42Å; D41-L49 PolarHBondContact OD1-N 3.45Å; D41-T50 VanDerWaalsContact CG-OG1 3.23Å; D41-T50 WeakPolarHBondContact OD1-CB 3.19Å; D41-T50 VanDerWaalsContact OD1-CG2 3.22Å; D41-T50 WeakPolarHBondContact OD1-CG2 3.08Å; D41-T50 PolarHBondContact OD1-N 2.64Å; D41-T50 PolarHBondContact OD1-OG1 2.95Å; D41-T50 PolarHBondContact OD2-OG1 3.03Å; D41-T50 VanDerWaalsContact OD2-OG1 3.04Å; D41-S76 WeakPolarHBondContact OD2-CB 3.21Å; D41-S76 PolarHBondContact OD2-OG 2.95Å
42E94.3Very high96.6Very high49 Ų4959.1 Ų59.123%0.22928%0.279CS..  trans-65.8145.8171.6-66.5171-112.700109.4R40 L49 I61 Y62R40-E42 HydrophobicContact CG-CG 4.35Å; R40-E42 IonicContact CZ-OE1 3.43Å; R40-E42 IonicContact NE-OE1 3.07Å; R40-E42 PolarHBondContact NE-OE1 2.82Å; R40-E42 VanDerWaalsContact NH2-CD 3.33Å; R40-E42 IonicContact NH2-OE1 3.24Å; R40-E42 PolarHBondContact NH2-OE1 3.4Å; R40-E42 IonicContact NH2-OE2 2.92Å; R40-E42 PolarHBondContact NH2-OE2 3.34Å; R40-E42 PolarHBondContact O-N 2.85Å; E42-L49 VanDerWaalsContact O-CB 3.26Å; E42-L49 WeakPolarHBondContact O-CB 3.1Å; E42-L49 PolarHBondContact O-N 3.38Å; E42-I61 HydrophobicContact CB-CD1 3.7Å; E42-Y62 PolarHBondContact OE1-OH 2.96Å; E42-Y62 PolarHBondContact OE2-OH 2.85Å
43E95.6Very high96.6Very high165 Ų16556.1 Ų56.177%0.77127%0.268SS*.EExtended strand (participates in β ladder)trans-88.4135.9174.9-68.4-176.2162.300110.1
44Y94.6Very high96.7Very high81 Ų8156 Ų5632%0.31826%0.262SS..EExtended strand (participates in β ladder)trans-140.6123.3173-178.8-91.4000108.9D46 R47 W52 P60 I61Y44-D46 PolarHBondContact O-N 3.22Å; Y44-R47 PolarHBondContact N-O 3.19Å; Y44-R47 PolarHBondContact O-N 3.48Å; Y44-W52 AromaticContact CD1-CE2 3.93Å; Y44-W52 HydrophobicContact CD1-CZ2 4.04Å; Y44-W52 AromaticContact CD1-NE1 3.84Å; Y44-W52 HydrophobicContact CE1-CZ2 4.29Å; Y44-W52 PolarHBondContact O-NE1 3.44Å; Y44-P60 HydrophobicContact CD1-CB 3.63Å; Y44-P60 HydrophobicContact CD1-CG 3.55Å; Y44-P60 HydrophobicContact CE1-CB 3.59Å; Y44-P60 HydrophobicContact CE1-CG 4.06Å; Y44-P60 HydrophobicContact CG-CB 4.22Å; Y44-P60 HydrophobicContact CG-CG 4Å; Y44-I61 HydrophobicContact CD2-CG1 3.85Å; Y44-I61 HydrophobicContact CG-CG1 4.07Å
45E94.2Very high96.7Very high123 Ų12358 Ų5858%0.57527%0.273SS*.THydrogen-bonded Turntrans48.554.6-176.5-66.7175.9-170.900112.2R47 W52E45-R47 PolarHBondContact O-N 3.19Å; E45-W52 HydrophobicContact CB-CZ2 4.2Å
46D93.9Very high96.7Very high165 Ų16560.6 Ų60.688%0.88229%0.287SS*.THydrogen-bonded Turntrans59.314.4177-53.5-47.6000115.9Y44Y44-D46 PolarHBondContact O-N 3.22Å
47R96.6Very high96.7Very high75 Ų7559.4 Ų59.428%0.28328%0.283SS..EExtended strand (participates in β ladder)trans-125.7151.4173.4-59-167.6-58.7161.1-1.6111.4Y44 E45 D56Y44-R47 PolarHBondContact N-O 3.19Å; Y44-R47 PolarHBondContact O-N 3.48Å; E45-R47 PolarHBondContact O-N 3.19Å; R47-D56 IonicContact CZ-OD2 3.23Å; R47-D56 VanDerWaalsContact CZ-OD2 3.23Å; R47-D56 IonicContact NH1-OD1 3.97Å; R47-D56 IonicContact NH1-OD2 2.82Å; R47-D56 PolarHBondContact NH1-OD2 3.4Å; R47-D56 IonicContact NH2-OD1 3.58Å; R47-D56 IonicContact NH2-OD2 2.76Å; R47-D56 PolarHBondContact NH2-OD2 3.16Å
48S97.5Very high96.6Very high39 Ų3960.7 Ų60.727%0.27329%0.291SS..EExtended strand (participates in β ladder)trans-69.1143.417579.70000111.1D41 T50 S51 W52D41-S48 VanDerWaalsContact OD1-CB 3.24Å; D41-S48 WeakPolarHBondContact OD1-CB 3.4Å; D41-S48 PolarHBondContact OD1-OG 3.42Å; S48-T50 PolarHBondContact O-N 2.89Å; S48-T50 PolarHBondContact OG-OG1 3.26Å; S48-T50 VanDerWaalsContact OG-OG1 3.05Å; S48-S51 WeakPolarHBondContact O-CA 3.27Å; S48-S51 VanDerWaalsContact O-CB 3.28Å; S48-S51 WeakPolarHBondContact O-CB 3.31Å; S48-S51 PolarHBondContact O-N 3.45Å; S48-S51 WeakPolarHBondContact OG-CB 3.49Å; S48-S51 PolarHBondContact OG-N 3.18Å; S48-W52 PolarHBondContact O-N 3.16Å; S48-W52 VanDerWaalsContact O-N 3.16Å
49L97.8Very high96.6Very high0 Ų058.8 Ų58.80%028%0.283CS..Hα-helixtrans-59.4-35.4178.8179.959.7000111.8C10 V39 D41 E42 S51 W52 I53 P60 I61 Y62C10-L49 HydrophobicContact CB-CD2 4.4Å; V39-L49 HydrophobicContact CG1-CB 4.17Å; V39-L49 HydrophobicContact CG1-CD2 3.55Å; V39-L49 HydrophobicContact CG1-CG 3.75Å; D41-L49 PolarHBondContact OD1-N 3.45Å; E42-L49 VanDerWaalsContact O-CB 3.26Å; E42-L49 WeakPolarHBondContact O-CB 3.1Å; E42-L49 PolarHBondContact O-N 3.38Å; L49-S51 VanDerWaalsContact C-N 3.29Å; L49-S51 PolarHBondContact O-N 3.01Å; L49-W52 PolarHBondContact O-N 2.84Å; L49-I53 HydrophobicContact CD1-CD1 4.11Å; L49-I53 HydrophobicContact CD1-CG1 4.35Å; L49-I53 HydrophobicContact CG-CD1 3.85Å; L49-I53 WeakPolarHBondContact O-CD1 3.41Å; L49-I53 WeakPolarHBondContact O-CG1 3.48Å; L49-I53 PolarHBondContact O-N 3.42Å; L49-P60 HydrophobicContact CD1-CG 4.31Å; L49-I61 HydrophobicContact CD1-CD1 4.38Å; L49-I61 HydrophobicContact CD2-CD1 4.3Å; L49-Y62 HydrophobicContact CD2-CE2 4.34Å
50T98.1Very high96.5Very high14 Ų1459.4 Ų59.49%0.08629%0.288CS..Hα-helixtrans-61.9-35.8173.453.30000112.6V39 D41 S48 I53 N54 A74V39-T50 HydrophobicContact CB-CG2 3.89Å; V39-T50 HydrophobicContact CG1-CG2 4.04Å; D41-T50 VanDerWaalsContact CG-OG1 3.23Å; D41-T50 WeakPolarHBondContact OD1-CB 3.19Å; D41-T50 VanDerWaalsContact OD1-CG2 3.22Å; D41-T50 WeakPolarHBondContact OD1-CG2 3.08Å; D41-T50 PolarHBondContact OD1-N 2.64Å; D41-T50 PolarHBondContact OD1-OG1 2.95Å; D41-T50 PolarHBondContact OD2-OG1 3.03Å; D41-T50 VanDerWaalsContact OD2-OG1 3.04Å; S48-T50 PolarHBondContact O-N 2.89Å; S48-T50 PolarHBondContact OG-OG1 3.26Å; S48-T50 VanDerWaalsContact OG-OG1 3.05Å; T50-I53 PolarHBondContact O-N 3.35Å; T50-N54 WeakPolarHBondContact O-CB 3.27Å; T50-N54 PolarHBondContact O-N 3.18Å; T50-N54 PolarHBondContact O-ND2 2.82Å; T50-A74 HydrophobicContact CG2-CB 4.32Å
51S97.8Very high96.6Very high23 Ų2357.3 Ų57.316%0.16128%0.283CS..Hα-helixtrans-65.6-47.3175.2-172.60000111.1S48 L49 I53 N54 Q55S48-S51 WeakPolarHBondContact O-CA 3.27Å; S48-S51 VanDerWaalsContact O-CB 3.28Å; S48-S51 WeakPolarHBondContact O-CB 3.31Å; S48-S51 PolarHBondContact O-N 3.45Å; S48-S51 WeakPolarHBondContact OG-CB 3.49Å; S48-S51 PolarHBondContact OG-N 3.18Å; L49-S51 VanDerWaalsContact C-N 3.29Å; L49-S51 PolarHBondContact O-N 3.01Å; S51-I53 VanDerWaalsContact C-N 3.31Å; S51-I53 PolarHBondContact O-N 2.81Å; S51-N54 PolarHBondContact O-N 3.44Å; S51-Q55 VanDerWaalsContact O-CB 3.28Å; S51-Q55 WeakPolarHBondContact O-CB 3.45Å; S51-Q55 WeakPolarHBondContact O-CG 3.27Å; S51-Q55 PolarHBondContact O-N 3.48Å; S51-Q55 PolarHBondContact OG-NE2 3.23Å; S51-Q55 PolarHBondContact OG-OE1 3.02Å
52W98.2Very high96.6Very high37 Ų3757 Ų5714%0.1428%0.278CS..Iπ-helixtrans-55.3-46.1174.7-82.8101.3000111.9Y44 E45 S48 L49 D56 H57 P60Y44-W52 AromaticContact CD1-CE2 3.93Å; Y44-W52 HydrophobicContact CD1-CZ2 4.04Å; Y44-W52 AromaticContact CD1-NE1 3.84Å; Y44-W52 HydrophobicContact CE1-CZ2 4.29Å; Y44-W52 PolarHBondContact O-NE1 3.44Å; E45-W52 HydrophobicContact CB-CZ2 4.2Å; S48-W52 PolarHBondContact O-N 3.16Å; S48-W52 VanDerWaalsContact O-N 3.16Å; L49-W52 PolarHBondContact O-N 2.84Å; W52-D56 HydrophobicContact CE3-CB 3.96Å; W52-D56 HydrophobicContact CZ3-CB 4.41Å; W52-D56 CarbonylContact O-C 3.45Å; W52-D56 WeakPolarHBondContact O-CA 3.39Å; W52-D56 VanDerWaalsContact O-CB 3.26Å; W52-D56 WeakPolarHBondContact O-CB 3.44Å; W52-D56 PolarHBondContact O-N 2.98Å; W52-H57 PolarHBondContact O-N 3.43Å; W52-P60 HydrophobicContact CB-CG 4.18Å; W52-P60 HydrophobicContact CD2-CG 3.83Å; W52-P60 HydrophobicContact CE3-CG 4.21Å; W52-P60 HydrophobicContact CG-CG 3.83Å
53I98.4Very high96.6Very high0 Ų054.9 Ų54.90%027%0.268CS..Iπ-helixtrans-68.7-43.8-178.6-65.9159.7000111.7W37 V39 L49 T50 S51 H57 T58 L68 I72 A74W37-I53 HydrophobicContact CE3-CD1 3.93Å; W37-I53 HydrophobicContact CE3-CG2 3.97Å; W37-I53 HydrophobicContact CH2-CD1 3.94Å; W37-I53 HydrophobicContact CZ3-CD1 3.43Å; W37-I53 VanDerWaalsContact CZ3-CD1 3.43Å; W37-I53 HydrophobicContact CZ3-CG1 3.94Å; W37-I53 HydrophobicContact CZ3-CG2 3.9Å; V39-I53 HydrophobicContact CG1-CD1 4.01Å; V39-I53 HydrophobicContact CG2-CD1 3.78Å; L49-I53 HydrophobicContact CD1-CD1 4.11Å; L49-I53 HydrophobicContact CD1-CG1 4.35Å; L49-I53 HydrophobicContact CG-CD1 3.85Å; L49-I53 WeakPolarHBondContact O-CD1 3.41Å; L49-I53 WeakPolarHBondContact O-CG1 3.48Å; L49-I53 PolarHBondContact O-N 3.42Å; T50-I53 PolarHBondContact O-N 3.35Å; S51-I53 VanDerWaalsContact C-N 3.31Å; S51-I53 PolarHBondContact O-N 2.81Å; I53-H57 WeakPolarHBondContact O-CA 3.47Å; I53-H57 PolarHBondContact O-N 2.96Å; I53-T58 WeakPolarHBondContact CA-O 3.37Å; I53-T58 WeakPolarHBondContact CG1-O 3.38Å; I53-T58 PolarHBondContact N-O 3.23Å; I53-L68 HydrophobicContact CG1-CD1 4.21Å; I53-L68 HydrophobicContact CG2-CD1 3.88Å; I53-I72 HydrophobicContact CG2-CG2 4.23Å; I53-A74 HydrophobicContact CB-CB 3.77Å; I53-A74 HydrophobicContact CD1-CB 4.06Å; I53-A74 HydrophobicContact CG2-CB 3.55Å
54N98.4Very high96.5Very high63 Ų6351.1 Ų51.134%0.33726%0.258SS..Iπ-helixtrans-79-27.8-174.4-71.8-40.5000113.9T50 S51 A74T50-N54 WeakPolarHBondContact O-CB 3.27Å; T50-N54 PolarHBondContact O-N 3.18Å; T50-N54 PolarHBondContact O-ND2 2.82Å; S51-N54 PolarHBondContact O-N 3.44Å; N54-A74 PolarHBondContact ND2-O 3.2Å; N54-A74 PolarHBondContact OD1-N 3.07Å
55Q98Very high96.4Very high131 Ų13157.3 Ų57.361%0.61229%0.286SS*.Iπ-helixtrans-101.6-46.6-176.7-61.9171.810.100111.6S51S51-Q55 VanDerWaalsContact O-CB 3.28Å; S51-Q55 WeakPolarHBondContact O-CB 3.45Å; S51-Q55 WeakPolarHBondContact O-CG 3.27Å; S51-Q55 PolarHBondContact O-N 3.48Å; S51-Q55 PolarHBondContact OG-NE2 3.23Å; S51-Q55 PolarHBondContact OG-OE1 3.02Å
56D97.9Very high96.5Very high54 Ų5452.4 Ų52.429%0.28926%0.264SS..Iπ-helixtrans-96.7-12.6-175.3-55.3-92.3000112.2R47 W52 T58 K67R47-D56 IonicContact CZ-OD2 3.23Å; R47-D56 VanDerWaalsContact CZ-OD2 3.23Å; R47-D56 IonicContact NH1-OD1 3.97Å; R47-D56 IonicContact NH1-OD2 2.82Å; R47-D56 PolarHBondContact NH1-OD2 3.4Å; R47-D56 IonicContact NH2-OD1 3.58Å; R47-D56 IonicContact NH2-OD2 2.76Å; R47-D56 PolarHBondContact NH2-OD2 3.16Å; W52-D56 HydrophobicContact CE3-CB 3.96Å; W52-D56 HydrophobicContact CZ3-CB 4.41Å; W52-D56 CarbonylContact O-C 3.45Å; W52-D56 WeakPolarHBondContact O-CA 3.39Å; W52-D56 VanDerWaalsContact O-CB 3.26Å; W52-D56 WeakPolarHBondContact O-CB 3.44Å; W52-D56 PolarHBondContact O-N 2.98Å; D56-T58 VanDerWaalsContact C-N 3.31Å; D56-T58 PolarHBondContact O-N 3.29Å; D56-K67 PolarHBondContact O-NZ 2.92Å
57H98.2Very high96.7Very high23 Ų2350.6 Ų50.611%0.10625%0.248CC..  trans54.148.2-177.6-60.2-80.2000112W52 I53 K67 L68 M70W52-H57 PolarHBondContact O-N 3.43Å; I53-H57 WeakPolarHBondContact O-CA 3.47Å; I53-H57 PolarHBondContact O-N 2.96Å; H57-K67 HydrophobicContact CB-CD 4.43Å; H57-L68 HydrophobicContact CB-CB 4.28Å; H57-L68 WeakPolarHBondContact CB-O 3.2Å; H57-L68 WeakPolarHBondContact O-CB 3.26Å; H57-L68 PolarHBondContact O-N 3.35Å; H57-M70 HydrophobicContact CB-SD 4.1Å; H57-M70 PolarHBondContact CD2-SD 3.03Å; H57-M70 PolarHBondContact NE2-SD 3.02Å; H57-M70 VanDerWaalsContact NE2-SD 3.36Å
58T97.8Very high96.8Very high27 Ų2747.2 Ų47.217%0.16624%0.236CC..EExtended strand (participates in β ladder)trans-138.8154.4175.859.60000110.5I53 D56 P60 K67I53-T58 WeakPolarHBondContact CA-O 3.37Å; I53-T58 WeakPolarHBondContact CG1-O 3.38Å; I53-T58 PolarHBondContact N-O 3.23Å; D56-T58 VanDerWaalsContact C-N 3.31Å; D56-T58 PolarHBondContact O-N 3.29Å; T58-P60 WeakPolarHBondContact O-CD 3.49Å; T58-K67 HydrophobicContact CG2-CD 4.49Å
59N97.3Very high96.8Very high1 Ų146.3 Ų46.31%0.00523%0.229CC..EExtended strand (participates in β ladder)trans-113.287.2164.4-176.7-15.9000108.3C10 T15 W37 I61 Y62 L63 L68C10-N59 PolarHBondContact O-ND2 3.43Å; T15-N59 HydrophobicContact CG2-CB 3.92Å; T15-N59 PolarHBondContact OG1-ND2 3.13Å; W37-N59 HydrophobicContact CH2-CB 4.36Å; N59-I61 PolarHBondContact O-N 3.44Å; N59-I61 PolarHBondContact OD1-N 3.4Å; N59-Y62 PolarHBondContact O-N 2.95Å; N59-Y62 WeakPolarHBondContact OD1-CD2 3.39Å; N59-Y62 PolarHBondContact OD1-N 3.37Å; N59-L63 CarbonylContact O-C 3.11Å; N59-L63 PolarHBondContact O-N 3.11Å; N59-L68 HydrophobicContact CB-CD1 4.45Å
60P96.2Very high96.8Very high14 Ų1452.8 Ų52.89%0.09126%0.261CS..THydrogen-bonded Turntrans-64.4-26.1-171.926-35.6000113.6Y44 L49 W52 T58 P64Y44-P60 HydrophobicContact CD1-CB 3.63Å; Y44-P60 HydrophobicContact CD1-CG 3.55Å; Y44-P60 HydrophobicContact CE1-CB 3.59Å; Y44-P60 HydrophobicContact CE1-CG 4.06Å; Y44-P60 HydrophobicContact CG-CB 4.22Å; Y44-P60 HydrophobicContact CG-CG 4Å; L49-P60 HydrophobicContact CD1-CG 4.31Å; W52-P60 HydrophobicContact CB-CG 4.18Å; W52-P60 HydrophobicContact CD2-CG 3.83Å; W52-P60 HydrophobicContact CE3-CG 4.21Å; W52-P60 HydrophobicContact CG-CG 3.83Å; T58-P60 WeakPolarHBondContact O-CD 3.49Å; P60-P64 WeakPolarHBondContact O-CB 3.42Å
61I94.4Very high96.9Very high57 Ų5753.4 Ų53.429%0.29226%0.264SS..THydrogen-bonded Turntrans-76.4-47.8-177.9-63.3175.4000111E42 Y44 L49 N59E42-I61 HydrophobicContact CB-CD1 3.7Å; Y44-I61 HydrophobicContact CD2-CG1 3.85Å; Y44-I61 HydrophobicContact CG-CG1 4.07Å; L49-I61 HydrophobicContact CD1-CD1 4.38Å; L49-I61 HydrophobicContact CD2-CD1 4.3Å; N59-I61 PolarHBondContact O-N 3.44Å; N59-I61 PolarHBondContact OD1-N 3.4Å
62Y93.1Very high96.9Very high55 Ų5552.5 Ų52.522%0.21626%0.257CS..THydrogen-bonded Turntrans-105.2-28.7-165.8-65.6-77.1000114.8C10 S12 R40 E42 L49 N59C10-Y62 WeakPolarHBondContact O-CD2 3.38Å; C10-Y62 WeakPolarHBondContact O-CE2 3.39Å; S12-Y62 PolarHBondContact OG-O 3.05Å; R40-Y62 PolarHBondContact NH2-OH 3.12Å; R40-Y62 VanDerWaalsContact NH2-OH 3.1Å; E42-Y62 PolarHBondContact OE1-OH 2.96Å; E42-Y62 PolarHBondContact OE2-OH 2.85Å; L49-Y62 HydrophobicContact CD2-CE2 4.34Å; N59-Y62 PolarHBondContact O-N 2.95Å; N59-Y62 WeakPolarHBondContact OD1-CD2 3.39Å; N59-Y62 PolarHBondContact OD1-N 3.37Å
63L94Very high96.9Very high5 Ų553 Ų533%0.02626%0.262CS..EExtended strand (participates in β ladder)trans-146.367.9176.2-70.4-178.8000109.9T15 N59 K65 L66 L155 V158T15-L63 HydrophobicContact CG2-CB 4.23Å; T15-L63 HydrophobicContact CG2-CD1 3.71Å; T15-L63 HydrophobicContact CG2-CG 4.31Å; N59-L63 CarbonylContact O-C 3.11Å; N59-L63 PolarHBondContact O-N 3.11Å; L63-K65 PolarHBondContact O-N 2.66Å; L63-K65 VanDerWaalsContact O-N 3.08Å; L63-L66 HydrophobicContact CB-CB 4Å; L63-L66 HydrophobicContact CB-CD2 4.39Å; L63-L66 HydrophobicContact CD1-CD2 3.85Å; L63-L66 WeakPolarHBondContact O-CB 3.31Å; L63-L66 PolarHBondContact O-N 3.14Å; L63-L155 HydrophobicContact CD2-CD2 3.58Å; L63-L155 HydrophobicContact CD2-CG 4.29Å; L63-V158 HydrophobicContact CD1-CG1 3.82Å; L63-V158 HydrophobicContact CD1-CG2 4.13Å; L63-V158 HydrophobicContact CD2-CG2 4.41Å
64P93.2Very high96.9Very high86 Ų8653.2 Ų53.256%0.55826%0.264SS*.EExtended strand (participates in β ladder)trans-60-27-168.817.2-30.4000115.4P60P60-P64 WeakPolarHBondContact O-CB 3.42Å
65K94.2Very high96.9Very high211 Ų21151.2 Ų51.292%0.91726%0.255SS*.EExtended strand (participates in β ladder)trans-86.7-7.5-178.8-62.9-177.9-179.6177.30113.4L63L63-K65 PolarHBondContact O-N 2.66Å; L63-K65 VanDerWaalsContact O-N 3.08Å
66L96.2Very high96.9Very high20 Ų2047.4 Ų47.411%0.10524%0.242CC..EExtended strand (participates in β ladder)trans-87.1128.2-176.4178.763.3000111.2T15 K19 L63 L68 V158T15-L66 HydrophobicContact CG2-CD2 3.95Å; K19-L66 HydrophobicContact CD-CD1 3.95Å; K19-L66 HydrophobicContact CD-CD2 4.31Å; L63-L66 HydrophobicContact CB-CB 4Å; L63-L66 HydrophobicContact CB-CD2 4.39Å; L63-L66 HydrophobicContact CD1-CD2 3.85Å; L63-L66 WeakPolarHBondContact O-CB 3.31Å; L63-L66 PolarHBondContact O-N 3.14Å; L66-L68 HydrophobicContact CD2-CD2 3.88Å; L66-L68 HydrophobicContact CG-CD2 4.33Å; L66-V158 HydrophobicContact CD1-CB 4.12Å; L66-V158 HydrophobicContact CD2-CB 4.15Å; L66-V158 HydrophobicContact CD2-CG1 3.86Å
67K98Very high96.9Very high127 Ų12749.6 Ų49.655%0.55225%0.251SS*.EExtended strand (participates in β ladder)trans-87125.5163.6-168.371.3179179.60109.5D56 H57 T58D56-K67 PolarHBondContact O-NZ 2.92Å; H57-K67 HydrophobicContact CB-CD 4.43Å; T58-K67 HydrophobicContact CG2-CD 4.49Å
68L98.5Very high96.8Very high5 Ų549 Ų493%0.02625%0.248CC..PPolyproline II helixtrans-86.5146.5179.8-67.6172.2000111.3T15 W37 I53 H57 N59 L66 I72T15-L68 HydrophobicContact CG2-CD2 3.89Å; W37-L68 HydrophobicContact CZ3-CD1 3.89Å; I53-L68 HydrophobicContact CG1-CD1 4.21Å; I53-L68 HydrophobicContact CG2-CD1 3.88Å; H57-L68 HydrophobicContact CB-CB 4.28Å; H57-L68 WeakPolarHBondContact CB-O 3.2Å; H57-L68 WeakPolarHBondContact O-CB 3.26Å; H57-L68 PolarHBondContact O-N 3.35Å; N59-L68 HydrophobicContact CB-CD1 4.45Å; L66-L68 HydrophobicContact CD2-CD2 3.88Å; L66-L68 HydrophobicContact CG-CD2 4.33Å; L68-I72 HydrophobicContact CB-CD1 4.15Å; L68-I72 HydrophobicContact CD2-CD1 4.16Å
69P98.1Very high96.8Very high19 Ų1954.3 Ų54.312%0.12327%0.266CS..PPolyproline II helixtrans-57.2143.9170.3-30.438000113.5K19 A22 D23 N71 I72K19-P69 HydrophobicContact CG-CG 4.28Å; A22-P69 HydrophobicContact CB-CB 3.8Å; A22-P69 HydrophobicContact CB-CG 3.93Å; D23-P69 WeakPolarHBondContact OD1-CG 3.39Å; P69-N71 WeakPolarHBondContact CB-OD1 3.2Å; P69-N71 PolarHBondContact O-N 3.44Å; P69-I72 HydrophobicContact CB-CD1 4.29Å; P69-I72 HydrophobicContact CB-CG1 4.45Å; P69-I72 HydrophobicContact CG-CD1 4.33Å; P69-I72 PolarHBondContact O-N 3.12Å
70M98Very high96.7Very high136 Ų13659.4 Ų59.467%0.6729%0.287SS*.THydrogen-bonded Turntrans-70.6-15.6-174.3-52.5-55.8-109.500113.8H57 I72H57-M70 HydrophobicContact CB-SD 4.1Å; H57-M70 PolarHBondContact CD2-SD 3.03Å; H57-M70 PolarHBondContact NE2-SD 3.02Å; H57-M70 VanDerWaalsContact NE2-SD 3.36Å; M70-I72 VanDerWaalsContact C-N 3.31Å
71N98.4Very high96.8Very high27 Ų2758.8 Ų58.814%0.14428%0.284CS..THydrogen-bonded Turntrans-87.63.7-179.664.8-38.9000113.8A22 V26 S33 K34 V35 P69A22-N71 PolarHBondContact O-ND2 2.89Å; V26-N71 WeakPolarHBondContact CG2-ND2 3.46Å; S33-N71 VanDerWaalsContact O-CB 3.28Å; S33-N71 WeakPolarHBondContact O-CB 3.36Å; S33-N71 PolarHBondContact O-ND2 3.43Å; K34-N71 VanDerWaalsContact CA-O 3.29Å; K34-N71 WeakPolarHBondContact CA-O 3.34Å; V35-N71 PolarHBondContact N-O 3.22Å; P69-N71 WeakPolarHBondContact CB-OD1 3.2Å; P69-N71 PolarHBondContact O-N 3.44Å
72I98.7Very high96.9Very high4 Ų456.1 Ų56.12%0.02127%0.27CS..EExtended strand (participates in β ladder)trans-80.6133.2172-64.8172.3000109.5V18 A22 W37 I53 L68 P69 M70V18-I72 HydrophobicContact CG1-CD1 4.05Å; V18-I72 HydrophobicContact CG2-CD1 3.95Å; V18-I72 HydrophobicContact CG2-CG1 4.04Å; V18-I72 HydrophobicContact CG2-CG2 4.06Å; A22-I72 HydrophobicContact CB-CD1 3.77Å; A22-I72 HydrophobicContact CB-CG1 3.49Å; A22-I72 VanDerWaalsContact CB-CG1 3.49Å; W37-I72 HydrophobicContact CB-CG2 4.32Å; W37-I72 HydrophobicContact CE3-CG2 3.91Å; I53-I72 HydrophobicContact CG2-CG2 4.23Å; L68-I72 HydrophobicContact CB-CD1 4.15Å; L68-I72 HydrophobicContact CD2-CD1 4.16Å; P69-I72 HydrophobicContact CB-CD1 4.29Å; P69-I72 HydrophobicContact CB-CG1 4.45Å; P69-I72 HydrophobicContact CG-CD1 4.33Å; P69-I72 PolarHBondContact O-N 3.12Å; M70-I72 VanDerWaalsContact C-N 3.31Å
73I98.5Very high97.1Very high48 Ų4856.6 Ų56.625%0.24627%0.274CS..EExtended strand (participates in β ladder)trans-117.7108171.7-61176.3000108.7K34 V35 Y36 W37K34-I73 HydrophobicContact CB-CD1 4.28Å; K34-I73 HydrophobicContact CD-CD1 3.55Å; K34-I73 HydrophobicContact CD-CG1 4.44Å; K34-I73 HydrophobicContact CG-CD1 4.5Å; V35-I73 PolarHBondContact O-N 3.05Å; Y36-I73 CarbonylContact C-O 3.59Å; Y36-I73 WeakPolarHBondContact CA-O 3.26Å; Y36-I73 HydrophobicContact CD1-CB 4.1Å; Y36-I73 HydrophobicContact CD1-CG2 4.12Å; Y36-I73 HydrophobicContact CE1-CB 4.26Å; Y36-I73 HydrophobicContact CE1-CD1 3.9Å; Y36-I73 HydrophobicContact CE1-CG2 4.14Å; W37-I73 PolarHBondContact N-O 2.85Å
74A98.5Very high97.2Very high4 Ų459.8 Ų59.83%0.03329%0.291CS..EExtended strand (participates in β ladder)trans-82140.4172.100000111.6W37 V39 T50 I53 N54W37-A74 CarbonylContact O-C 3.58Å; W37-A74 WeakPolarHBondContact O-CA 3.25Å; V39-A74 HydrophobicContact CG2-CB 3.81Å; T50-A74 HydrophobicContact CG2-CB 4.32Å; I53-A74 HydrophobicContact CB-CB 3.77Å; I53-A74 HydrophobicContact CD1-CB 4.06Å; I53-A74 HydrophobicContact CG2-CB 3.55Å; N54-A74 PolarHBondContact ND2-O 3.2Å; N54-A74 PolarHBondContact OD1-N 3.07Å
75S98.3Very high97.5Very high21 Ų2155.8 Ų55.815%0.14727%0.265CS..EExtended strand (participates in β ladder)trans-147.7142172.6-175.80000111.3W37 Y38 V39 E77W37-S75 PolarHBondContact O-N 3.43Å; Y38-S75 WeakPolarHBondContact CA-O 3.38Å; V39-S75 PolarHBondContact N-O 2.81Å; S75-E77 VanDerWaalsContact C-N 3.34Å; S75-E77 PolarHBondContact OG-N 3.13Å; S75-E77 VanDerWaalsContact OG-N 3.15Å
76S97.6Very high97.7Very high51 Ų5147 Ų4736%0.35723%0.229SC..SBendtrans-88.3-2.7170.950.40000113.3Y38 V39 D41Y38-S76 WeakPolarHBondContact CE2-O 3.38Å; V39-S76 WeakPolarHBondContact O-CA 3.15Å; D41-S76 WeakPolarHBondContact OD2-CB 3.21Å; D41-S76 PolarHBondContact OD2-OG 2.95Å
77E97.1Very high97.8Very high100 Ų10046.1 Ų46.147%0.46722%0.224SC..  trans-95.396.7172.9-70.2176.3-104.900110.3S75 R79 K80 V81S75-E77 VanDerWaalsContact C-N 3.34Å; S75-E77 PolarHBondContact OG-N 3.13Å; S75-E77 VanDerWaalsContact OG-N 3.15Å; E77-R79 PolarHBondContact O-N 3.03Å; E77-R79 VanDerWaalsContact O-N 3.1Å; E77-K80 HydrophobicContact CB-CB 4.33Å; E77-K80 HydrophobicContact CB-CD 4Å; E77-K80 HydrophobicContact CB-CG 4.1Å; E77-K80 VanDerWaalsContact CD-CE 3.5Å; E77-K80 PolarHBondContact O-N 3.04Å; E77-K80 VanDerWaalsContact O-N 3.08Å; E77-K80 WeakPolarHBondContact OE1-CE 3.44Å; E77-K80 IonicContact OE1-NZ 3.01Å; E77-K80 PolarHBondContact OE1-NZ 2.9Å; E77-K80 WeakPolarHBondContact OE2-CE 3.48Å; E77-K80 IonicContact OE2-NZ 3.42Å; E77-K80 PolarHBondContact OE2-NZ 3.38Å; E77-V81 PolarHBondContact O-N 2.86Å
78I96.7Very high97.9Very high10 Ų1040 Ų405%0.05120%0.197CC..Hα-helixtrans-56.7-34.6-174-159.8164.3000113.4Y38 K80 V81 V82 L100 H103 V104Y38-I78 HydrophobicContact CD1-CD1 3.82Å; Y38-I78 HydrophobicContact CD1-CG1 4.04Å; Y38-I78 HydrophobicContact CD2-CB 3.66Å; Y38-I78 HydrophobicContact CD2-CD1 4.39Å; Y38-I78 HydrophobicContact CD2-CG1 3.82Å; Y38-I78 HydrophobicContact CE1-CB 4.5Å; Y38-I78 HydrophobicContact CE1-CD1 3.72Å; Y38-I78 HydrophobicContact CE1-CG1 4.22Å; Y38-I78 HydrophobicContact CE2-CB 3.54Å; Y38-I78 HydrophobicContact CE2-CD1 4.3Å; Y38-I78 HydrophobicContact CE2-CG1 4.02Å; Y38-I78 HydrophobicContact CG-CB 4.2Å; Y38-I78 HydrophobicContact CG-CD1 4.15Å; Y38-I78 HydrophobicContact CG-CG1 3.83Å; I78-K80 PolarHBondContact O-N 2.83Å; I78-V81 PolarHBondContact O-N 2.8Å; I78-V81 VanDerWaalsContact O-N 3.15Å; I78-V82 HydrophobicContact CG1-CG2 4Å; I78-V82 WeakPolarHBondContact O-CG2 3.47Å; I78-V82 PolarHBondContact O-N 3.42Å; I78-L100 HydrophobicContact CD1-CD1 3.65Å; I78-H103 WeakPolarHBondContact CG2-NE2 3.43Å; I78-V104 HydrophobicContact CD1-CG1 3.26Å; I78-V104 HydrophobicContact CG1-CG1 3.68Å; I78-V104 HydrophobicContact CG2-CG1 4.44Å
79R97.1Very high97.9Very high140 Ų14039.8 Ų39.853%0.52820%0.196SC..Hα-helixtrans-61.7-43.7-179.8-179.9175.6173.9165.45111.4E77 V81 V82 E83 F107E77-R79 PolarHBondContact O-N 3.03Å; E77-R79 VanDerWaalsContact O-N 3.1Å; R79-V81 PolarHBondContact O-N 3.38Å; R79-V82 PolarHBondContact O-N 3.3Å; R79-E83 HydrophobicContact CG-CB 4.37Å; R79-E83 IonicContact NE-OE2 2.67Å; R79-E83 PolarHBondContact NE-OE2 2.93Å; R79-E83 VanDerWaalsContact O-CB 3.27Å; R79-E83 WeakPolarHBondContact O-CB 3.45Å; R79-E83 VanDerWaalsContact O-CG 3.29Å; R79-E83 WeakPolarHBondContact O-CG 3.34Å; R79-E83 PolarHBondContact O-N 3.22Å; R79-F107 HydrophobicContact CB-CD2 4.41Å; R79-F107 HydrophobicContact CG-CD1 4.18Å; R79-F107 HydrophobicContact CG-CD2 4.33Å; R79-F107 HydrophobicContact CG-CG 4.08Å
80K95.9Very high97.9Very high107 Ų10739 Ų3947%0.46519%0.19SC..Hα-helixtrans-61.6-31.7177.7-69.7-176.6174.6165.50112.1E77 I78E77-K80 HydrophobicContact CB-CB 4.33Å; E77-K80 HydrophobicContact CB-CD 4Å; E77-K80 HydrophobicContact CB-CG 4.1Å; E77-K80 VanDerWaalsContact CD-CE 3.5Å; E77-K80 PolarHBondContact O-N 3.04Å; E77-K80 VanDerWaalsContact O-N 3.08Å; E77-K80 WeakPolarHBondContact OE1-CE 3.44Å; E77-K80 IonicContact OE1-NZ 3.01Å; E77-K80 PolarHBondContact OE1-NZ 2.9Å; E77-K80 WeakPolarHBondContact OE2-CE 3.48Å; E77-K80 IonicContact OE2-NZ 3.42Å; E77-K80 PolarHBondContact OE2-NZ 3.38Å; I78-K80 PolarHBondContact O-N 2.83Å
81V97.8Very high97.8Very high2 Ų233.3 Ų33.31%0.01217%0.165CC..Hα-helixtrans-78.4-38.8178.1177.50000111.5S6 L8 E77 I78 R79S6-V81 WeakPolarHBondContact CB-O 3.41Å; S6-V81 PolarHBondContact OG-O 2.96Å; L8-V81 HydrophobicContact CD2-CG1 3.86Å; E77-V81 PolarHBondContact O-N 2.86Å; I78-V81 PolarHBondContact O-N 2.8Å; I78-V81 VanDerWaalsContact O-N 3.15Å; R79-V81 PolarHBondContact O-N 3.38Å
82V98.1Very high97.5Very high0 Ų033.9 Ų33.90%017%0.166CC..Hα-helixtrans-89.5-38.9-171.6174.30000113.4L8 I78 R79 N84 A85 L88 V104 F107 I108L8-V82 HydrophobicContact CD1-CG2 4.28Å; L8-V82 HydrophobicContact CD2-CG2 3.94Å; I78-V82 HydrophobicContact CG1-CG2 4Å; I78-V82 WeakPolarHBondContact O-CG2 3.47Å; I78-V82 PolarHBondContact O-N 3.42Å; R79-V82 PolarHBondContact O-N 3.3Å; V82-N84 PolarHBondContact O-N 3.47Å; V82-A85 WeakPolarHBondContact O-CB 3.36Å; V82-A85 PolarHBondContact O-N 3.5Å; V82-L88 HydrophobicContact CB-CD2 4.23Å; V82-L88 HydrophobicContact CG1-CD1 4.1Å; V82-L88 HydrophobicContact CG1-CD2 4Å; V82-L88 HydrophobicContact CG2-CD2 3.9Å; V82-V104 HydrophobicContact CG1-CB 4.22Å; V82-V104 HydrophobicContact CG2-CB 4.26Å; V82-V104 HydrophobicContact CG2-CG1 3.97Å; V82-F107 HydrophobicContact CG1-CB 4.43Å; V82-I108 HydrophobicContact CG1-CG1 3.98Å
83E97.1Very high97.1Very high66 Ų6635 Ų3531%0.30817%0.174SC..THydrogen-bonded Turntrans-63.5-22.8-162.674.9-170.1163.500114.8R79 F107 K109R79-E83 HydrophobicContact CG-CB 4.37Å; R79-E83 IonicContact NE-OE2 2.67Å; R79-E83 PolarHBondContact NE-OE2 2.93Å; R79-E83 VanDerWaalsContact O-CB 3.27Å; R79-E83 WeakPolarHBondContact O-CB 3.45Å; R79-E83 VanDerWaalsContact O-CG 3.29Å; R79-E83 WeakPolarHBondContact O-CG 3.34Å; R79-E83 PolarHBondContact O-N 3.22Å; E83-F107 VanDerWaalsContact CA-O 3.3Å; E83-F107 WeakPolarHBondContact CA-O 3.18Å; E83-F107 HydrophobicContact CB-CB 4.4Å; E83-K109 VanDerWaalsContact O-CG 3.32Å; E83-K109 WeakPolarHBondContact O-CG 3.49Å
84N96.5Very high96.7Very high72 Ų7233.4 Ų33.439%0.38517%0.166SC..THydrogen-bonded Turntrans-111.31.5179.4-69.9-65.4000113.8R4 V82 K109R4-N84 WeakPolarHBondContact CB-O 3.5Å; R4-N84 VanDerWaalsContact NH1-CB 3.32Å; V82-N84 PolarHBondContact O-N 3.47Å; N84-K109 WeakPolarHBondContact O-CD 3.46Å
85A98.2Very high96.3Very high1 Ų136.6 Ų36.61%0.00819%0.187CC..  trans-76.2134-175.600000111.5S6 V82 L88 K109 A112S6-A85 WeakPolarHBondContact OG-CB 3.19Å; V82-A85 WeakPolarHBondContact O-CB 3.36Å; V82-A85 PolarHBondContact O-N 3.5Å; A85-L88 HydrophobicContact CB-CD2 3.66Å; A85-L88 HydrophobicContact CB-CG 3.94Å; A85-K109 WeakPolarHBondContact O-CD 3.18Å; A85-A112 WeakPolarHBondContact O-CB 3.33Å
86D98.5Very high96Very high28 Ų2838.7 Ų38.715%0.1519%0.192CC..SBendtrans-89.5-27168.2-62.4-72.2000111.1K3 R4 K109 A112 Y113K3-D86 WeakPolarHBondContact CA-OD2 3.39Å; K3-D86 HydrophobicContact CB-CB 3.97Å; K3-D86 HydrophobicContact CG-CB 4.01Å; R4-D86 PolarHBondContact N-OD2 2.93Å; R4-D86 PolarHBondContact O-N 3.27Å; D86-K109 VanDerWaalsContact CG-NZ 3.35Å; D86-K109 IonicContact OD1-NZ 3.59Å; D86-K109 PolarHBondContact OD1-NZ 3.28Å; D86-K109 IonicContact OD2-NZ 3.33Å; D86-K109 PolarHBondContact OD2-NZ 2.89Å; D86-A112 WeakPolarHBondContact O-CA 3.36Å; D86-Y113 PolarHBondContact O-N 2.98Å; D86-Y113 VanDerWaalsContact O-N 3.11Å
87I98.7Very high95.9Very high0 Ų036.2 Ų36.20%018%0.175CC..EExtended strand (participates in β ladder)trans-132.7117.7-177.1-52.6175000108.4R4 V5 S6 F31 M89 Y113 V115 E177 L181R4-I87 PolarHBondContact O-N 2.88Å; R4-I87 VanDerWaalsContact O-N 3.14Å; V5-I87 HydrophobicContact CG1-CB 4.37Å; V5-I87 HydrophobicContact CG1-CG2 4.45Å; V5-I87 HydrophobicContact CG2-CB 4.37Å; V5-I87 HydrophobicContact CG2-CD1 4.25Å; S6-I87 PolarHBondContact N-O 3.38Å; F31-I87 HydrophobicContact CE1-CD1 4.09Å; I87-M89 HydrophobicContact CG2-CE 4.2Å; I87-M89 HydrophobicContact CG2-CG 4.35Å; I87-Y113 HydrophobicContact CD1-CE1 4.22Å; I87-Y113 WeakPolarHBondContact CD1-OH 3.36Å; I87-Y113 HydrophobicContact CG1-CD1 4.49Å; I87-Y113 HydrophobicContact CG1-CE1 3.73Å; I87-Y113 HydrophobicContact CG1-CE2 4.43Å; I87-Y113 HydrophobicContact CG2-CE2 3.97Å; I87-V115 HydrophobicContact CG2-CG2 4Å; I87-E177 HydrophobicContact CD1-CG 3.95Å; I87-L181 HydrophobicContact CD1-CD1 3.52Å; I87-L181 HydrophobicContact CG2-CD1 4.34Å
88L98.7Very high95.7Very high0 Ų034.7 Ų34.70%017%0.17CC..EExtended strand (participates in β ladder)trans-109.4104.5-177.8-72.1160.8000110.3L8 V82 A85 I108 Y113 F114 V115L8-L88 HydrophobicContact CD1-CD2 4.21Å; V82-L88 HydrophobicContact CB-CD2 4.23Å; V82-L88 HydrophobicContact CG1-CD1 4.1Å; V82-L88 HydrophobicContact CG1-CD2 4Å; V82-L88 HydrophobicContact CG2-CD2 3.9Å; A85-L88 HydrophobicContact CB-CD2 3.66Å; A85-L88 HydrophobicContact CB-CG 3.94Å; L88-I108 HydrophobicContact CD1-CG1 4.14Å; L88-I108 HydrophobicContact CD1-CG2 3.86Å; L88-Y113 PolarHBondContact N-O 3.09Å; L88-F114 HydrophobicContact CB-CD1 3.61Å; L88-F114 HydrophobicContact CB-CE1 3.72Å; L88-F114 HydrophobicContact CB-CG 4.23Å; L88-F114 HydrophobicContact CB-CZ 4.39Å; L88-F114 HydrophobicContact CD1-CD1 4.37Å; L88-F114 HydrophobicContact CD1-CE1 3.75Å; L88-F114 HydrophobicContact CD1-CE2 4.15Å; L88-F114 HydrophobicContact CD1-CZ 3.62Å; L88-F114 HydrophobicContact CG-CE1 4.32Å; L88-F114 CarbonylContact O-C 3.59Å; L88-F114 VanDerWaalsContact O-CA 3.24Å; L88-F114 WeakPolarHBondContact O-CA 3.33Å; L88-V115 PolarHBondContact O-N 3.06Å
89M98.7Very high95.6Very high0 Ų043.9 Ų43.90%020%0.204CC..EExtended strand (participates in β ladder)trans-91.5116.7-179-68.5-165.3179.300110.6V5 S6 V7 L8 I17 V21 I87 V115 F117 L181 L182V5-M89 HydrophobicContact CG1-CE 3.87Å; V5-M89 HydrophobicContact CG1-CG 4.29Å; V5-M89 HydrophobicContact CG1-SD 4.11Å; S6-M89 PolarHBondContact O-N 2.95Å; V7-M89 CarbonylContact C-O 3.53Å; V7-M89 WeakPolarHBondContact CA-O 3.26Å; V7-M89 HydrophobicContact CG2-CB 4.16Å; V7-M89 HydrophobicContact CG2-SD 4.46Å; L8-M89 PolarHBondContact N-O 3.38Å; I17-M89 HydrophobicContact CG2-SD 3.82Å; V21-M89 HydrophobicContact CG2-CE 3.84Å; V21-M89 HydrophobicContact CG2-SD 3.57Å; V21-M89 VanDerWaalsContact CG2-SD 3.57Å; I87-M89 HydrophobicContact CG2-CE 4.2Å; I87-M89 HydrophobicContact CG2-CG 4.35Å; M89-V115 CarbonylContact C-O 3.6Å; M89-V115 WeakPolarHBondContact CA-O 3.33Å; M89-V115 HydrophobicContact CG-CB 4.15Å; M89-V115 HydrophobicContact CG-CG2 4.38Å; M89-F117 HydrophobicContact CB-CE2 3.85Å; M89-F117 HydrophobicContact CG-CE2 4.14Å; M89-F117 HydrophobicContact SD-CE2 4.21Å; M89-F117 HydrophobicContact SD-CZ 4.2Å; M89-L181 HydrophobicContact CE-CB 3.93Å; M89-L181 HydrophobicContact CE-CD1 3.69Å; M89-L181 HydrophobicContact CE-CG 4.42Å; M89-L182 HydrophobicContact CE-CD2 4.4Å; M89-L182 HydrophobicContact SD-CD2 4.35Å
90V98.1Very high95.6Very high1 Ų137.8 Ų37.81%0.00618%0.182CC..EExtended strand (participates in β ladder)trans-106.6107.7-173.2-177.10000110L8 Y92 I97 L100 F114 V115 F117L8-V90 HydrophobicContact CD1-CG2 4.31Å; V90-Y92 HydrophobicContact CG1-CD2 4.14Å; V90-I97 HydrophobicContact CG1-CD1 3.46Å; V90-I97 VanDerWaalsContact CG1-CD1 3.46Å; V90-L100 HydrophobicContact CG1-CD2 3.6Å; V90-L100 HydrophobicContact CG2-CD2 4.31Å; V90-F114 HydrophobicContact CG2-CD1 3.7Å; V90-F114 HydrophobicContact CG2-CE1 4.21Å; V90-V115 PolarHBondContact N-O 3.16Å; V90-F117 PolarHBondContact O-N 3.35Å
91A95.9Very high95.6Very high17 Ų1732.8 Ų32.814%0.1416%0.16CC..  trans-111.758.5177.700000110.4L8L8-A91 PolarHBondContact O-N 2.85Å
92Y92.7Very high95.5Very high39 Ų3936.2 Ų36.215%0.15318%0.178CC..  trans-119.2149.4177.6-81.5-84.4000111.8L8 G9 Y38 V90 L100 C118L8-Y92 HydrophobicContact CB-CD2 4.4Å; L8-Y92 HydrophobicContact CB-CE2 3.9Å; L8-Y92 VanDerWaalsContact O-CD2 3.25Å; L8-Y92 WeakPolarHBondContact O-CD2 2.92Å; L8-Y92 VanDerWaalsContact O-CE2 3.26Å; L8-Y92 WeakPolarHBondContact O-CE2 3.24Å; G9-Y92 VanDerWaalsContact CA-CE2 3.4Å; G9-Y92 VanDerWaalsContact CA-CZ 3.5Å; G9-Y92 VanDerWaalsContact N-CE2 3.27Å; Y38-Y92 WeakPolarHBondContact CD1-OH 3.24Å; Y38-Y92 VanDerWaalsContact CE1-OH 3.31Å; Y38-Y92 WeakPolarHBondContact CE1-OH 3.4Å; V90-Y92 HydrophobicContact CG1-CD2 4.14Å; Y92-L100 HydrophobicContact CD2-CD2 3.65Å; Y92-L100 HydrophobicContact CE2-CD1 4.17Å; Y92-L100 HydrophobicContact CE2-CD2 3.97Å; Y92-L100 HydrophobicContact CG-CD2 4.43Å; Y92-C118 PolarHBondContact O-SG 3.13Å
93P90.6Very high95.4Very high29 Ų2941.5 Ų41.519%0.18820%0.203CC..  trans-58.2151.9165.4-2230.4000112.4C95 Y96 T312P93-C95 VanDerWaalsContact C-N 3.26Å; P93-C95 PolarHBondContact O-N 3.3Å; P93-C95 VanDerWaalsContact O-N 3.15Å; P93-Y96 HydrophobicContact CB-CD2 3.88Å; P93-Y96 HydrophobicContact CB-CE2 4.21Å; P93-Y96 HydrophobicContact CG-CD2 3.87Å; P93-Y96 HydrophobicContact CG-CE2 4.02Å; P93-Y96 PolarHBondContact O-N 3.17Å; P93-Y96 VanDerWaalsContact O-N 3.09Å; P93-T312 HydrophobicContact CG-CG2 4.23Å
94P90.8Very high95.4Very high14 Ų1438.4 Ų38.49%0.09119%0.188CC..Hα-helixtrans-56.8-37.7-173.1-19.725000113.5Y96 I97 C118 I122 V133 V314P94-Y96 PolarHBondContact O-N 2.75Å; P94-Y96 VanDerWaalsContact O-N 3.11Å; P94-I97 WeakPolarHBondContact O-CB 3.21Å; P94-I97 WeakPolarHBondContact O-CG1 3.48Å; P94-I97 PolarHBondContact O-N 3.09Å; P94-I97 VanDerWaalsContact O-N 3.09Å; P94-C118 VanDerWaalsContact CA-SG 3.52Å; P94-C118 WeakPolarHBondContact CD-SG 3.43Å; P94-C118 WeakPolarHBondContact CG-SG 3.48Å; P94-I122 HydrophobicContact CB-CD1 3.95Å; P94-I122 VanDerWaalsContact O-CD1 3.26Å; P94-I122 WeakPolarHBondContact O-CD1 3.41Å; P94-V133 HydrophobicContact CB-CG2 4.16Å; P94-V314 HydrophobicContact CG-CG2 4.4Å
95C88.6Confident95.3Very high70 Ų7039.2 Ų39.247%0.47319%0.188SC..Hα-helixtrans-61.9-20.7-177.266.10000113.8P93 R311P93-C95 VanDerWaalsContact C-N 3.26Å; P93-C95 PolarHBondContact O-N 3.3Å; P93-C95 VanDerWaalsContact O-N 3.15Å; C95-R311 PolarHBondContact SG-O 3.33Å
96Y92.4Very high95.2Very high65 Ų6546.9 Ų46.926%0.25522%0.224SC..Hα-helixtrans-95.9-12179.3-60.9-65.4000113.6P93 P94 I98 R99 L100P93-Y96 HydrophobicContact CB-CD2 3.88Å; P93-Y96 HydrophobicContact CB-CE2 4.21Å; P93-Y96 HydrophobicContact CG-CD2 3.87Å; P93-Y96 HydrophobicContact CG-CE2 4.02Å; P93-Y96 PolarHBondContact O-N 3.17Å; P93-Y96 VanDerWaalsContact O-N 3.09Å; P94-Y96 PolarHBondContact O-N 2.75Å; P94-Y96 VanDerWaalsContact O-N 3.11Å; Y96-I98 PolarHBondContact O-N 3.14Å; Y96-R99 PolarHBondContact O-N 3.46Å; Y96-L100 WeakPolarHBondContact O-CB 3.45Å; Y96-L100 PolarHBondContact O-N 3.41Å
97I94.8Very high95Very high0 Ų048.2 Ų48.20%023%0.229CC..Hα-helixtrans-63.8-45.7-171.9-59.9-67.3000111.8V90 P94 R99 L100 V101 V133 L136 I137V90-I97 HydrophobicContact CG1-CD1 3.46Å; V90-I97 VanDerWaalsContact CG1-CD1 3.46Å; P94-I97 WeakPolarHBondContact O-CB 3.21Å; P94-I97 WeakPolarHBondContact O-CG1 3.48Å; P94-I97 PolarHBondContact O-N 3.09Å; P94-I97 VanDerWaalsContact O-N 3.09Å; I97-R99 VanDerWaalsContact C-N 3.27Å; I97-R99 PolarHBondContact O-N 3.01Å; I97-L100 WeakPolarHBondContact O-CB 3.41Å; I97-L100 PolarHBondContact O-N 3.16Å; I97-L100 VanDerWaalsContact O-N 3.15Å; I97-V101 HydrophobicContact CG2-CG2 3.87Å; I97-V101 WeakPolarHBondContact O-CB 3.26Å; I97-V101 WeakPolarHBondContact O-CG2 3.32Å; I97-V101 PolarHBondContact O-N 3.16Å; I97-V133 HydrophobicContact CB-CG1 4.43Å; I97-V133 HydrophobicContact CD1-CG1 4.14Å; I97-V133 HydrophobicContact CG1-CG1 3.85Å; I97-V133 HydrophobicContact CG2-CG1 4.05Å; I97-L136 HydrophobicContact CB-CD2 4.27Å; I97-L136 HydrophobicContact CG2-CD2 3.79Å; I97-I137 HydrophobicContact CG2-CD1 4.23Å; I97-I137 HydrophobicContact CG2-CG1 3.93Å
98I94.6Very high94.9Very high68 Ų6849.1 Ų49.135%0.34923%0.233SC..Hα-helixtrans-57.9-43.8-179.4-64171.7000110.7Y96 N102 I122 L136Y96-I98 PolarHBondContact O-N 3.14Å; I98-N102 WeakPolarHBondContact O-CB 3.31Å; I98-N102 PolarHBondContact O-N 3.32Å; I98-N102 VanDerWaalsContact O-N 3.11Å; I98-N102 PolarHBondContact O-ND2 3.14Å; I98-N102 VanDerWaalsContact O-ND2 3.1Å; I98-I122 HydrophobicContact CD1-CG2 4.3Å; I98-L136 HydrophobicContact CB-CD2 4.49Å; I98-L136 HydrophobicContact CD1-CD2 4.38Å; I98-L136 HydrophobicContact CG1-CD1 4.16Å; I98-L136 HydrophobicContact CG1-CD2 3.42Å; I98-L136 VanDerWaalsContact CG1-CD2 3.42Å; I98-L136 HydrophobicContact CG1-CG 4.39Å
99R94.8Very high94.8Very high202 Ų20252.5 Ų52.576%0.76225%0.248SC*.Hα-helixtrans-65.7-45.9178-179.8178.6174.7177.4-1.3110.9Y96 I97 H103Y96-R99 PolarHBondContact O-N 3.46Å; I97-R99 VanDerWaalsContact C-N 3.27Å; I97-R99 PolarHBondContact O-N 3.01Å; R99-H103 WeakPolarHBondContact O-CB 3.26Å; R99-H103 PolarHBondContact O-N 3.21Å; R99-H103 VanDerWaalsContact O-N 3.11Å
100L95.7Very high94.7Very high13 Ų1359.4 Ų59.47%0.06828%0.28CS..Hα-helixtrans-57.5-54.1178.7177.767.9000111L8 I78 V90 Y92 Y96 I97 N102 H103 V104L8-L100 HydrophobicContact CB-CD2 4.44Å; L8-L100 HydrophobicContact CD1-CD1 4.28Å; L8-L100 HydrophobicContact CD1-CD2 4.24Å; I78-L100 HydrophobicContact CD1-CD1 3.65Å; V90-L100 HydrophobicContact CG1-CD2 3.6Å; V90-L100 HydrophobicContact CG2-CD2 4.31Å; Y92-L100 HydrophobicContact CD2-CD2 3.65Å; Y92-L100 HydrophobicContact CE2-CD1 4.17Å; Y92-L100 HydrophobicContact CE2-CD2 3.97Å; Y92-L100 HydrophobicContact CG-CD2 4.43Å; Y96-L100 WeakPolarHBondContact O-CB 3.45Å; Y96-L100 PolarHBondContact O-N 3.41Å; I97-L100 WeakPolarHBondContact O-CB 3.41Å; I97-L100 PolarHBondContact O-N 3.16Å; I97-L100 VanDerWaalsContact O-N 3.15Å; L100-N102 PolarHBondContact O-N 2.93Å; L100-H103 WeakPolarHBondContact O-CB 3.38Å; L100-H103 PolarHBondContact O-N 2.79Å; L100-V104 HydrophobicContact CD1-CG1 4.38Å; L100-V104 WeakPolarHBondContact O-CG2 3.35Å; L100-V104 PolarHBondContact O-N 3.31Å; L100-V104 VanDerWaalsContact O-N 3.15Å
101V96.4Very high94.5Very high2 Ų265.8 Ų65.81%0.01231%0.314CS..Hα-helixtrans-61.7-45.4-176.1174.10000111.1I97 H103 V104 K105 I137 Q140 T141I97-V101 HydrophobicContact CG2-CG2 3.87Å; I97-V101 WeakPolarHBondContact O-CB 3.26Å; I97-V101 WeakPolarHBondContact O-CG2 3.32Å; I97-V101 PolarHBondContact O-N 3.16Å; V101-H103 PolarHBondContact O-N 3.17Å; V101-V104 PolarHBondContact O-N 2.84Å; V101-V104 VanDerWaalsContact O-N 3.16Å; V101-K105 WeakPolarHBondContact O-CB 3.27Å; V101-K105 PolarHBondContact O-N 3.23Å; V101-I137 HydrophobicContact CG2-CG1 3.83Å; V101-Q140 HydrophobicContact CG1-CB 3.49Å; V101-Q140 VanDerWaalsContact CG1-CB 3.49Å; V101-Q140 HydrophobicContact CG1-CG 4.45Å; V101-Q140 VanDerWaalsContact CG1-OE1 3.28Å; V101-T141 HydrophobicContact CG1-CG2 3.42Å; V101-T141 VanDerWaalsContact CG1-CG2 3.42Å
102N96.3Very high94.6Very high74 Ų7465 Ų6540%0.39631%0.308SS..Hα-helixtrans-59.6-33.1175.2-83.3-42.3000113.3I98 L100 K105I98-N102 WeakPolarHBondContact O-CB 3.31Å; I98-N102 PolarHBondContact O-N 3.32Å; I98-N102 VanDerWaalsContact O-N 3.11Å; I98-N102 PolarHBondContact O-ND2 3.14Å; I98-N102 VanDerWaalsContact O-ND2 3.1Å; L100-N102 PolarHBondContact O-N 2.93Å; N102-K105 PolarHBondContact OD1-NZ 3.3Å; N102-K105 VanDerWaalsContact OD1-NZ 3.12Å
103H95.3Very high94.9Very high110 Ų11063.4 Ų63.451%0.50930%0.302SS..Hα-helixtrans-77-23.1-179.6-166.547.8000113.2I78 R99 L100 V101 F107I78-H103 WeakPolarHBondContact CG2-NE2 3.43Å; R99-H103 WeakPolarHBondContact O-CB 3.26Å; R99-H103 PolarHBondContact O-N 3.21Å; R99-H103 VanDerWaalsContact O-N 3.11Å; L100-H103 WeakPolarHBondContact O-CB 3.38Å; L100-H103 PolarHBondContact O-N 2.79Å; V101-H103 PolarHBondContact O-N 3.17Å; H103-F107 WeakPolarHBondContact O-CE2 3.37Å
104V96.7Very high95.3Very high1 Ų162 Ų621%0.00629%0.293CS..Hα-helixtrans-111.7-18.1-174-55.80000114.8I78 V82 L100 V101 E106 F107 I108I78-V104 HydrophobicContact CD1-CG1 3.26Å; I78-V104 HydrophobicContact CG1-CG1 3.68Å; I78-V104 HydrophobicContact CG2-CG1 4.44Å; V82-V104 HydrophobicContact CG1-CB 4.22Å; V82-V104 HydrophobicContact CG2-CB 4.26Å; V82-V104 HydrophobicContact CG2-CG1 3.97Å; L100-V104 HydrophobicContact CD1-CG1 4.38Å; L100-V104 WeakPolarHBondContact O-CG2 3.35Å; L100-V104 PolarHBondContact O-N 3.31Å; L100-V104 VanDerWaalsContact O-N 3.15Å; V101-V104 PolarHBondContact O-N 2.84Å; V101-V104 VanDerWaalsContact O-N 3.16Å; V104-E106 PolarHBondContact O-N 3.33Å; V104-F107 PolarHBondContact O-N 3.39Å; V104-I108 HydrophobicContact CG2-CD1 4.35Å; V104-I108 WeakPolarHBondContact O-CG1 3.28Å
105K95.3Very high95.7Very high90 Ų9061.4 Ų61.439%0.39129%0.289SS..THydrogen-bonded Turntrans-53.5-31.3-167.765-175.6179.5-171.30115.4V101 N102 F107 T141V101-K105 WeakPolarHBondContact O-CB 3.27Å; V101-K105 PolarHBondContact O-N 3.23Å; N102-K105 PolarHBondContact OD1-NZ 3.3Å; N102-K105 VanDerWaalsContact OD1-NZ 3.12Å; K105-F107 VanDerWaalsContact C-N 3.33Å; K105-T141 HydrophobicContact CB-CG2 4.37Å
106E94.8Very high96.1Very high161 Ų16158 Ų5875%0.75227%0.266SS*.THydrogen-bonded Turntrans-80.8-12.4-178.2-59.1-173151.100113.8V104V104-E106 PolarHBondContact O-N 3.33Å
107F94.9Very high96.3Very high57 Ų5755.4 Ų55.425%0.2526%0.256CS..THydrogen-bonded Turntrans-105.4-5.8-175.4-47.6-53.8000112.9R79 V82 E83 H103 V104 K105R79-F107 HydrophobicContact CB-CD2 4.41Å; R79-F107 HydrophobicContact CG-CD1 4.18Å; R79-F107 HydrophobicContact CG-CD2 4.33Å; R79-F107 HydrophobicContact CG-CG 4.08Å; V82-F107 HydrophobicContact CG1-CB 4.43Å; E83-F107 VanDerWaalsContact CA-O 3.3Å; E83-F107 WeakPolarHBondContact CA-O 3.18Å; E83-F107 HydrophobicContact CB-CB 4.4Å; H103-F107 WeakPolarHBondContact O-CE2 3.37Å; V104-F107 PolarHBondContact O-N 3.39Å; K105-F107 VanDerWaalsContact C-N 3.33Å
108I97.2Very high96.3Very high19 Ų1955.5 Ų55.510%0.09726%0.256CS..  trans-75.2131.7-172-56.2158.6000110.2V82 L88 V104 A112 F114 T141 K143V82-I108 HydrophobicContact CG1-CG1 3.98Å; L88-I108 HydrophobicContact CD1-CG1 4.14Å; L88-I108 HydrophobicContact CD1-CG2 3.86Å; V104-I108 HydrophobicContact CG2-CD1 4.35Å; V104-I108 WeakPolarHBondContact O-CG1 3.28Å; I108-A112 HydrophobicContact CG2-CB 3.73Å; I108-F114 HydrophobicContact CD1-CE2 3.76Å; I108-F114 HydrophobicContact CD1-CZ 3.5Å; I108-F114 VanDerWaalsContact CD1-CZ 3.5Å; I108-F114 HydrophobicContact CG1-CZ 4.19Å; I108-T141 HydrophobicContact CD1-CG2 3.67Å; I108-K143 HydrophobicContact CG2-CG 4.01Å
109K96.9Very high96.1Very high70 Ų7053.8 Ų53.830%0.30425%0.247SC..  trans-57149.1173-69.1177.768.9-174.10111.4E83 N84 A85 D86 N111 A112E83-K109 VanDerWaalsContact O-CG 3.32Å; E83-K109 WeakPolarHBondContact O-CG 3.49Å; N84-K109 WeakPolarHBondContact O-CD 3.46Å; A85-K109 WeakPolarHBondContact O-CD 3.18Å; D86-K109 VanDerWaalsContact CG-NZ 3.35Å; D86-K109 IonicContact OD1-NZ 3.59Å; D86-K109 PolarHBondContact OD1-NZ 3.28Å; D86-K109 IonicContact OD2-NZ 3.33Å; D86-K109 PolarHBondContact OD2-NZ 2.89Å; K109-N111 VanDerWaalsContact C-N 3.31Å; K109-N111 PolarHBondContact O-N 3.13Å; K109-A112 HydrophobicContact CB-CB 4.1Å; K109-A112 WeakPolarHBondContact O-CB 3.24Å; K109-A112 PolarHBondContact O-N 3.34Å; K109-A112 VanDerWaalsContact O-N 3.11Å
110E95Very high95.9Very high146 Ų14644.2 Ų44.268%0.68221%0.21SC*.THydrogen-bonded Turntrans-57.8-42.1-173.3-173.555.4-159.500113.8K143E110-K143 VanDerWaalsContact CD-NZ 3.25Å; E110-K143 WeakPolarHBondContact O-CE 3.46Å; E110-K143 PolarHBondContact O-NZ 3.21Å; E110-K143 IonicContact OE1-NZ 3.81Å; E110-K143 PolarHBondContact OE1-NZ 2.91Å; E110-K143 IonicContact OE2-NZ 2.7Å; E110-K143 PolarHBondContact OE2-NZ 2.88Å
111N95.1Very high95.9Very high134 Ų13443.8 Ų43.872%0.71721%0.208SC*.THydrogen-bonded Turntrans-95.75.7-177.6-65.9-39.5000114.3K109K109-N111 VanDerWaalsContact C-N 3.31Å; K109-N111 PolarHBondContact O-N 3.13Å
112A98.1Very high95.9Very high2 Ų244.4 Ų44.42%0.01721%0.211CC..  trans-69.2157179.200000111.7A85 D86 I108 K109A85-A112 WeakPolarHBondContact O-CB 3.33Å; D86-A112 WeakPolarHBondContact O-CA 3.36Å; I108-A112 HydrophobicContact CG2-CB 3.73Å; K109-A112 HydrophobicContact CB-CB 4.1Å; K109-A112 WeakPolarHBondContact O-CB 3.24Å; K109-A112 PolarHBondContact O-N 3.34Å; K109-A112 VanDerWaalsContact O-N 3.11Å
113Y98.5Very high95.8Very high4 Ų442.3 Ų42.32%0.01620%0.2CC..EExtended strand (participates in β ladder)trans-138.9161.717368.9-91.4000111.7D86 I87 L88 V115 R144 L146 C174 E177 V178D86-Y113 PolarHBondContact O-N 2.98Å; D86-Y113 VanDerWaalsContact O-N 3.11Å; I87-Y113 HydrophobicContact CD1-CE1 4.22Å; I87-Y113 WeakPolarHBondContact CD1-OH 3.36Å; I87-Y113 HydrophobicContact CG1-CD1 4.49Å; I87-Y113 HydrophobicContact CG1-CE1 3.73Å; I87-Y113 HydrophobicContact CG1-CE2 4.43Å; I87-Y113 HydrophobicContact CG2-CE2 3.97Å; L88-Y113 PolarHBondContact N-O 3.09Å; Y113-V115 HydrophobicContact CD2-CG2 4.29Å; Y113-V115 HydrophobicContact CE2-CG2 3.88Å; Y113-R144 WeakPolarHBondContact CA-O 3.46Å; Y113-R144 WeakPolarHBondContact CB-O 3.45Å; Y113-L146 HydrophobicContact CD2-CD1 3.88Å; Y113-L146 HydrophobicContact CE2-CD1 4.22Å; Y113-C174 HydrophobicContact CE1-CB 4.49Å; Y113-C174 HydrophobicContact CE2-CB 4.22Å; Y113-E177 VanDerWaalsContact CE1-OE2 3.22Å; Y113-E177 WeakPolarHBondContact CE1-OE2 3.32Å; Y113-E177 VanDerWaalsContact CZ-OE2 3.3Å; Y113-E177 VanDerWaalsContact OH-CD 3.27Å; Y113-E177 WeakPolarHBondContact OH-CG 3.36Å; Y113-E177 PolarHBondContact OH-OE2 3.14Å; Y113-V178 HydrophobicContact CE2-CG2 3.93Å
114F98.7Very high95.8Very high1 Ų137.9 Ų37.90%0.00418%0.181CC..EExtended strand (participates in β ladder)trans-100.4151.8-178.6-71.7-92.9000112.4L88 V90 I108 I137 T141 K143 R144 C145 L146L88-F114 HydrophobicContact CB-CD1 3.61Å; L88-F114 HydrophobicContact CB-CE1 3.72Å; L88-F114 HydrophobicContact CB-CG 4.23Å; L88-F114 HydrophobicContact CB-CZ 4.39Å; L88-F114 HydrophobicContact CD1-CD1 4.37Å; L88-F114 HydrophobicContact CD1-CE1 3.75Å; L88-F114 HydrophobicContact CD1-CE2 4.15Å; L88-F114 HydrophobicContact CD1-CZ 3.62Å; L88-F114 HydrophobicContact CG-CE1 4.32Å; L88-F114 CarbonylContact O-C 3.59Å; L88-F114 VanDerWaalsContact O-CA 3.24Å; L88-F114 WeakPolarHBondContact O-CA 3.33Å; V90-F114 HydrophobicContact CG2-CD1 3.7Å; V90-F114 HydrophobicContact CG2-CE1 4.21Å; I108-F114 HydrophobicContact CD1-CE2 3.76Å; I108-F114 HydrophobicContact CD1-CZ 3.5Å; I108-F114 VanDerWaalsContact CD1-CZ 3.5Å; I108-F114 HydrophobicContact CG1-CZ 4.19Å; F114-I137 HydrophobicContact CB-CG2 3.83Å; F114-I137 HydrophobicContact CD1-CG2 4.05Å; F114-I137 HydrophobicContact CD2-CG2 3.45Å; F114-I137 VanDerWaalsContact CD2-CG2 3.45Å; F114-I137 HydrophobicContact CE1-CG2 4.49Å; F114-I137 HydrophobicContact CE2-CG2 3.95Å; F114-I137 HydrophobicContact CG-CG2 3.5Å; F114-I137 HydrophobicContact CZ-CG2 4.43Å; F114-T141 HydrophobicContact CE2-CG2 3.89Å; F114-T141 HydrophobicContact CZ-CG2 4.07Å; F114-K143 HydrophobicContact CD2-CB 4.07Å; F114-K143 HydrophobicContact CE2-CB 4.06Å; F114-K143 HydrophobicContact CE2-CG 4.38Å; F114-R144 PolarHBondContact N-O 2.88Å; F114-C145 HydrophobicContact CB-CB 4.06Å; F114-C145 CarbonylContact O-C 3.39Å; F114-C145 WeakPolarHBondContact O-CA 3.39Å; F114-L146 PolarHBondContact O-N 3.49Å
115V98.8Very high95.7Very high0 Ų042 Ų420%021%0.208CC..EExtended strand (participates in β ladder)trans-127.1111.4166.9-172.80000107.2I87 L88 M89 V90 Y113 F117 L146 V148 V178I87-V115 HydrophobicContact CG2-CG2 4Å; L88-V115 PolarHBondContact O-N 3.06Å; M89-V115 CarbonylContact C-O 3.6Å; M89-V115 WeakPolarHBondContact CA-O 3.33Å; M89-V115 HydrophobicContact CG-CB 4.15Å; M89-V115 HydrophobicContact CG-CG2 4.38Å; V90-V115 PolarHBondContact N-O 3.16Å; Y113-V115 HydrophobicContact CD2-CG2 4.29Å; Y113-V115 HydrophobicContact CE2-CG2 3.88Å; V115-F117 HydrophobicContact CB-CE2 4.3Å; V115-F117 HydrophobicContact CG1-CE2 3.86Å; V115-F117 HydrophobicContact CG1-CZ 3.93Å; V115-L146 CarbonylContact C-O 3.39Å; V115-L146 WeakPolarHBondContact CA-O 3.48Å; V115-V148 HydrophobicContact CG1-CG2 3.6Å; V115-V178 HydrophobicContact CG1-CG1 4.05Å; V115-V178 HydrophobicContact CG1-CG2 4.47Å; V115-V178 HydrophobicContact CG2-CG1 4.47Å; V115-V178 HydrophobicContact CG2-CG2 3.5Å
116S98.3Very high95.7Very high0 Ų047.2 Ų47.20%023%0.234CC..EExtended strand (participates in β ladder)trans-91.1130.5178-177.50000110.4C118 L146 V147 V148S116-C118 VanDerWaalsContact OG-CB 3.23Å; S116-C118 WeakPolarHBondContact OG-CB 3.24Å; S116-C118 PolarHBondContact OG-N 3.34Å; S116-L146 PolarHBondContact N-O 3.48Å; S116-V147 CarbonylContact O-C 3.55Å; S116-V147 WeakPolarHBondContact O-CA 3.34Å; S116-V148 PolarHBondContact O-N 2.85Å
117F96.8Very high95.8Very high9 Ų944.7 Ų44.74%0.03922%0.222CC..  trans-10417.3169.2-60.8-92.4000111.8W13 I17 M89 V90 V115 K119 V148 L182W13-F117 HydrophobicContact CZ2-CD1 4.42Å; W13-F117 AromaticContact NE1-CD1 3.58Å; W13-F117 AromaticContact NE1-CG 3.69Å; I17-F117 HydrophobicContact CD1-CD1 3.9Å; I17-F117 HydrophobicContact CD1-CE1 3.45Å; I17-F117 VanDerWaalsContact CD1-CE1 3.45Å; I17-F117 HydrophobicContact CD1-CZ 3.89Å; I17-F117 HydrophobicContact CG1-CD1 4.22Å; I17-F117 HydrophobicContact CG1-CE1 4.02Å; I17-F117 HydrophobicContact CG1-CE2 4.48Å; I17-F117 HydrophobicContact CG1-CG 4.5Å; I17-F117 HydrophobicContact CG1-CZ 4.16Å; I17-F117 HydrophobicContact CG2-CE2 4.06Å; I17-F117 HydrophobicContact CG2-CZ 3.89Å; M89-F117 HydrophobicContact CB-CE2 3.85Å; M89-F117 HydrophobicContact CG-CE2 4.14Å; M89-F117 HydrophobicContact SD-CE2 4.21Å; M89-F117 HydrophobicContact SD-CZ 4.2Å; V90-F117 PolarHBondContact O-N 3.35Å; V115-F117 HydrophobicContact CB-CE2 4.3Å; V115-F117 HydrophobicContact CG1-CE2 3.86Å; V115-F117 HydrophobicContact CG1-CZ 3.93Å; F117-K119 PolarHBondContact O-N 3.26Å; F117-V148 HydrophobicContact CD1-CB 3.78Å; F117-V148 HydrophobicContact CD1-CG1 4.11Å; F117-V148 HydrophobicContact CE1-CB 3.69Å; F117-V148 HydrophobicContact CE1-CG1 3.87Å; F117-V148 HydrophobicContact CE1-CG2 4.16Å; F117-V148 HydrophobicContact CZ-CB 4.49Å; F117-L182 HydrophobicContact CE1-CD1 3.77Å; F117-L182 HydrophobicContact CE1-CD2 4.48Å; F117-L182 HydrophobicContact CZ-CD1 3.75Å; F117-L182 HydrophobicContact CZ-CD2 4.16Å
118C93.6Very high95.8Very high2 Ų244.3 Ų44.31%0.01422%0.223CC..  trans-75114.3-171.4-158.10000111Y92 P94 S116 G120 V133 I149Y92-C118 PolarHBondContact O-SG 3.13Å; P94-C118 VanDerWaalsContact CA-SG 3.52Å; P94-C118 WeakPolarHBondContact CD-SG 3.43Å; P94-C118 WeakPolarHBondContact CG-SG 3.48Å; S116-C118 VanDerWaalsContact OG-CB 3.23Å; S116-C118 WeakPolarHBondContact OG-CB 3.24Å; S116-C118 PolarHBondContact OG-N 3.34Å; C118-G120 PolarHBondContact O-N 2.8Å; C118-V133 HydrophobicContact CB-CB 4.33Å; C118-V133 HydrophobicContact CB-CG1 3.94Å; C118-V133 HydrophobicContact CB-CG2 4.21Å; C118-I149 WeakPolarHBondContact O-CD1 3.29Å
119K90.3Very high95.7Very high33 Ų3348 Ų4814%0.14324%0.235CC..  trans-8136.8177.8-62.2-176.6173.9-161.20113.5F117 I149 G150 E262 D281 V314F117-K119 PolarHBondContact O-N 3.26Å; K119-I149 HydrophobicContact CG-CD1 4.04Å; K119-G150 PolarHBondContact NZ-O 3.41Å; K119-E262 WeakPolarHBondContact CD-OE1 3.49Å; K119-E262 WeakPolarHBondContact CE-OE1 3.25Å; K119-E262 IonicContact NZ-OE1 2.79Å; K119-E262 PolarHBondContact NZ-OE1 3.11Å; K119-E262 IonicContact NZ-OE2 3.06Å; K119-E262 PolarHBondContact NZ-OE2 3.44Å; K119-D281 IonicContact NZ-OD2 3.48Å; K119-D281 PolarHBondContact NZ-OD2 3.38Å; K119-V314 WeakPolarHBondContact O-CG2 3.4Å
120G92.2Very high95.7Very high0 Ų045.3 Ų45.30%022%0.224CC..SBendtrans-161.5170.8-175.300000113.5C118 V133 Y319C118-G120 PolarHBondContact O-N 2.8Å; G120-V133 VanDerWaalsContact O-CG2 3.27Å; G120-V133 WeakPolarHBondContact O-CG2 3.21Å; G120-Y319 WeakPolarHBondContact CA-OH 3.42Å
121L95.4Very high95.8Very high4 Ų440.2 Ų40.22%0.02120%0.199CC..  trans-113.4162.7-177.5-52.8171.9000110.9I130 L132 E199 L200 S203 L204 Y319L121-I130 HydrophobicContact CB-CG2 3.53Å; L121-I130 HydrophobicContact CD1-CG2 3.51Å; L121-I130 HydrophobicContact CG-CG2 4.01Å; L121-L132 HydrophobicContact CD2-CD2 3.74Å; L121-E199 HydrophobicContact CD2-CG 4.11Å; L121-L200 HydrophobicContact CD1-CD2 3.67Å; L121-L200 HydrophobicContact CD2-CD2 4.06Å; L121-S203 WeakPolarHBondContact CD1-OG 3.41Å; L121-S203 VanDerWaalsContact CG-OG 3.29Å; L121-S203 WeakPolarHBondContact CG-OG 3.23Å; L121-L204 HydrophobicContact CD1-CD2 4.3Å; L121-Y319 HydrophobicContact CB-CE1 3.82Å; L121-Y319 HydrophobicContact CD1-CD1 4.35Å; L121-Y319 HydrophobicContact CD1-CE1 3.97Å; L121-Y319 HydrophobicContact CG-CE1 3.89Å; L121-Y319 PolarHBondContact N-OH 3.01Å; L121-Y319 PolarHBondContact O-OH 3.21Å
122I95.5Very high95.9Very high15 Ų1533.8 Ų33.88%0.07717%0.165CC..EExtended strand (participates in β ladder)trans-93.5113.7171.8-54-64.6000107.9P94 I98 R131 V133 L136P94-I122 HydrophobicContact CB-CD1 3.95Å; P94-I122 VanDerWaalsContact O-CD1 3.26Å; P94-I122 WeakPolarHBondContact O-CD1 3.41Å; I98-I122 HydrophobicContact CD1-CG2 4.3Å; I122-R131 HydrophobicContact CB-CB 4.19Å; I122-R131 PolarHBondContact N-O 3.41Å; I122-R131 PolarHBondContact O-N 3.48Å; I122-V133 HydrophobicContact CD1-CG2 4.07Å; I122-V133 HydrophobicContact CG1-CG2 4Å; I122-L136 HydrophobicContact CD1-CD2 4.07Å; I122-L136 HydrophobicContact CG1-CD2 3.88Å
123L94.9Very high95.9Very high30 Ų3033.7 Ų33.716%0.15716%0.164CC..EExtended strand (participates in β ladder)trans-84.7129.9176.3-50.6-176.1000109.5P125 I130 E318 Y319 Q322L123-P125 WeakPolarHBondContact O-CD 3.41Å; L123-I130 HydrophobicContact CD2-CD1 4.31Å; L123-I130 HydrophobicContact CD2-CG1 3.95Å; L123-I130 HydrophobicContact CD2-CG2 4.42Å; L123-E318 HydrophobicContact CD1-CB 4.06Å; L123-E318 HydrophobicContact CD1-CG 3.58Å; L123-Y319 HydrophobicContact CD1-CD2 3.69Å; L123-Y319 HydrophobicContact CD1-CE2 3.78Å; L123-Y319 HydrophobicContact CD2-CD1 4.43Å; L123-Y319 HydrophobicContact CD2-CD2 4.08Å; L123-Y319 HydrophobicContact CD2-CE1 4.38Å; L123-Y319 HydrophobicContact CD2-CE2 4Å; L123-Y319 HydrophobicContact CD2-CG 4.29Å; L123-Y319 HydrophobicContact CG-CD2 4.27Å; L123-Y319 HydrophobicContact CG-CE2 4.01Å; L123-Q322 HydrophobicContact CB-CG 4.48Å; L123-Q322 HydrophobicContact CD1-CB 4.42Å; L123-Q322 HydrophobicContact CD2-CB 4.16Å; L123-Q322 HydrophobicContact CD2-CG 4.14Å
124C95Very high95.9Very high17 Ų1733.5 Ų33.512%0.11516%0.163CC..EExtended strand (participates in β ladder)trans-123.177.3178.8-58.80000109.1E126 E127 N128 R129C124-E126 VanDerWaalsContact C-N 3.32Å; C124-E126 PolarHBondContact O-N 3.14Å; C124-E127 HydrophobicContact CB-CB 4.3Å; C124-E127 CarbonylContact O-C 3.58Å; C124-E127 PolarHBondContact O-N 2.94Å; C124-E127 VanDerWaalsContact O-N 3.14Å; C124-N128 PolarHBondContact O-N 3.5Å; C124-N128 VanDerWaalsContact O-N 3.14Å; C124-R129 WeakPolarHBondContact CA-O 3.43Å; C124-R129 HydrophobicContact CB-CG 3.62Å; C124-R129 WeakPolarHBondContact CB-O 3.4Å; C124-R129 PolarHBondContact N-O 3.25Å; C124-R129 PolarHBondContact O-N 3.42Å; C124-R129 VanDerWaalsContact O-N 3.16Å
125P94.3Very high95.8Very high89 Ų8934.3 Ų34.358%0.57817%0.167SC*.G310 helixtrans-63.5-34.1-172.624-34.1000113.8L123 E127 N128L123-P125 WeakPolarHBondContact O-CD 3.41Å; P125-E127 PolarHBondContact O-N 3.08Å; P125-N128 PolarHBondContact O-N 3.43Å
126E95.7Very high95.7Very high198 Ų19834.3 Ų34.393%0.92517%0.167SC*.G310 helixtrans-64-28.4177.6-62.5-179.9-179.800112.7C124C124-E126 VanDerWaalsContact C-N 3.32Å; C124-E126 PolarHBondContact O-N 3.14Å
127E96Very high95.7Very high108 Ų10834.3 Ų34.351%0.50517%0.167SC..G310 helixtrans-102.75.6-179.6-62.2-174.7-103.500112.1C124 P125 R129C124-E127 HydrophobicContact CB-CB 4.3Å; C124-E127 CarbonylContact O-C 3.58Å; C124-E127 PolarHBondContact O-N 2.94Å; C124-E127 VanDerWaalsContact O-N 3.14Å; P125-E127 PolarHBondContact O-N 3.08Å; E127-R129 HydrophobicContact CB-CG 3.77Å; E127-R129 PolarHBondContact O-N 2.89Å; E127-R129 VanDerWaalsContact O-N 3.14Å; E127-R129 IonicContact OE1-CZ 3.58Å; E127-R129 VanDerWaalsContact OE1-CZ 3.27Å; E127-R129 IonicContact OE1-NE 2.73Å; E127-R129 PolarHBondContact OE1-NE 3.12Å; E127-R129 IonicContact OE1-NH2 2.69Å; E127-R129 PolarHBondContact OE1-NH2 3.27Å; E127-R129 IonicContact OE2-CZ 2.75Å; E127-R129 IonicContact OE2-NE 3.32Å; E127-R129 PolarHBondContact OE2-NE 3.27Å; E127-R129 IonicContact OE2-NH1 3.67Å; E127-R129 PolarHBondContact OE2-NH1 3.47Å; E127-R129 IonicContact OE2-NH2 3.73Å; E127-R129 PolarHBondContact OE2-NH2 3.2Å
128N96.1Very high95.8Very high50 Ų5036.4 Ų36.427%0.26718%0.175SC..THydrogen-bonded Turntrans41.646.7-171.6-163.530.1000113C124 P125 Q322 N325 I326C124-N128 PolarHBondContact O-N 3.5Å; C124-N128 VanDerWaalsContact O-N 3.14Å; P125-N128 PolarHBondContact O-N 3.43Å; N128-Q322 PolarHBondContact OD1-NE2 3.18Å; N128-Q322 VanDerWaalsContact OD1-NE2 3.16Å; N128-N325 PolarHBondContact ND2-O 2.9Å; N128-N325 WeakPolarHBondContact OD1-CB 3.41Å; N128-I326 VanDerWaalsContact O-CG1 3.27Å; N128-I326 WeakPolarHBondContact O-CG1 3.08Å; N128-I326 PolarHBondContact OD1-N 3.1Å
129R95.2Very high95.9Very high95 Ų9542.3 Ų42.336%0.35820%0.202SC..EExtended strand (participates in β ladder)trans-137.4161.7-177.173.7-175.5-178170.8-5.4112.1C124 E127C124-R129 WeakPolarHBondContact CA-O 3.43Å; C124-R129 HydrophobicContact CB-CG 3.62Å; C124-R129 WeakPolarHBondContact CB-O 3.4Å; C124-R129 PolarHBondContact N-O 3.25Å; C124-R129 PolarHBondContact O-N 3.42Å; C124-R129 VanDerWaalsContact O-N 3.16Å; E127-R129 HydrophobicContact CB-CG 3.77Å; E127-R129 PolarHBondContact O-N 2.89Å; E127-R129 VanDerWaalsContact O-N 3.14Å; E127-R129 IonicContact OE1-CZ 3.58Å; E127-R129 VanDerWaalsContact OE1-CZ 3.27Å; E127-R129 IonicContact OE1-NE 2.73Å; E127-R129 PolarHBondContact OE1-NE 3.12Å; E127-R129 IonicContact OE1-NH2 2.69Å; E127-R129 PolarHBondContact OE1-NH2 3.27Å; E127-R129 IonicContact OE2-CZ 2.75Å; E127-R129 IonicContact OE2-NE 3.32Å; E127-R129 PolarHBondContact OE2-NE 3.27Å; E127-R129 IonicContact OE2-NH1 3.67Å; E127-R129 PolarHBondContact OE2-NH1 3.47Å; E127-R129 IonicContact OE2-NH2 3.73Å; E127-R129 PolarHBondContact OE2-NH2 3.2Å
130I96.3Very high96.2Very high14 Ų1443.3 Ų43.37%0.07221%0.208CC..EExtended strand (participates in β ladder)trans-117139.8169-64.4168.6000107.3L121 L123 L243 Q322 I323 I326L121-I130 HydrophobicContact CB-CG2 3.53Å; L121-I130 HydrophobicContact CD1-CG2 3.51Å; L121-I130 HydrophobicContact CG-CG2 4.01Å; L123-I130 HydrophobicContact CD2-CD1 4.31Å; L123-I130 HydrophobicContact CD2-CG1 3.95Å; L123-I130 HydrophobicContact CD2-CG2 4.42Å; I130-L243 HydrophobicContact CD1-CD1 4.46Å; I130-Q322 HydrophobicContact CD1-CB 4.4Å; I130-Q322 HydrophobicContact CD1-CG 3.89Å; I130-Q322 HydrophobicContact CG1-CB 4.46Å; I130-Q322 HydrophobicContact CG1-CG 3.51Å; I130-I323 HydrophobicContact CD1-CG1 3.76Å; I130-I326 HydrophobicContact CD1-CD1 3.83Å; I130-I326 HydrophobicContact CG1-CD1 3.79Å
131R96.7Very high96.5Very high39 Ų3944.2 Ų44.215%0.14721%0.213CC..EExtended strand (participates in β ladder)trans-117.6141174.5-65.517269-163.3-0.4109.9I122 L136 E139I122-R131 HydrophobicContact CB-CB 4.19Å; I122-R131 PolarHBondContact N-O 3.41Å; I122-R131 PolarHBondContact O-N 3.48Å; R131-L136 VanDerWaalsContact NH2-CD1 3.32Å; R131-E139 IonicContact CZ-OE2 3.33Å; R131-E139 IonicContact NE-OE2 3.48Å; R131-E139 IonicContact NH2-OE2 2.77Å; R131-E139 PolarHBondContact NH2-OE2 3.43Å
132L97.7Very high96.5Very high0 Ų047.2 Ų47.20%025%0.245CC..  trans-67.6138.2167.3-55.5-178.5000108.7L121 S134 D135 L136 V196 E199 L200 F244L121-L132 HydrophobicContact CD2-CD2 3.74Å; L132-S134 PolarHBondContact O-N 3.08Å; L132-D135 HydrophobicContact CB-CB 3.99Å; L132-D135 PolarHBondContact O-N 2.78Å; L132-L136 PolarHBondContact O-N 3.14Å; L132-V196 HydrophobicContact CD1-CB 4.12Å; L132-V196 HydrophobicContact CD1-CG1 4Å; L132-V196 HydrophobicContact CD1-CG2 3.64Å; L132-E199 WeakPolarHBondContact CA-OE1 3.34Å; L132-E199 HydrophobicContact CD2-CB 4.35Å; L132-E199 HydrophobicContact CD2-CG 4.28Å; L132-L200 HydrophobicContact CD2-CD2 4.12Å; L132-L200 HydrophobicContact CD2-CG 4.26Å; L132-F244 HydrophobicContact CD1-CE1 4.13Å; L132-F244 HydrophobicContact CD1-CZ 4.26Å; L132-F244 HydrophobicContact CD2-CE1 4.4Å; L132-F244 HydrophobicContact CD2-CE2 3.93Å; L132-F244 HydrophobicContact CD2-CZ 3.7Å; L132-F244 HydrophobicContact CG-CE1 3.89Å; L132-F244 HydrophobicContact CG-CE2 4.32Å; L132-F244 HydrophobicContact CG-CZ 3.65Å
133V97.7Very high96.6Very high0 Ų047.8 Ų47.80%025%0.247CC..Hα-helixtrans-56.4-40.2167.6170.70000110P94 I97 C118 G120 I122 L136 I137 E199P94-V133 HydrophobicContact CB-CG2 4.16Å; I97-V133 HydrophobicContact CB-CG1 4.43Å; I97-V133 HydrophobicContact CD1-CG1 4.14Å; I97-V133 HydrophobicContact CG1-CG1 3.85Å; I97-V133 HydrophobicContact CG2-CG1 4.05Å; C118-V133 HydrophobicContact CB-CB 4.33Å; C118-V133 HydrophobicContact CB-CG1 3.94Å; C118-V133 HydrophobicContact CB-CG2 4.21Å; G120-V133 VanDerWaalsContact O-CG2 3.27Å; G120-V133 WeakPolarHBondContact O-CG2 3.21Å; I122-V133 HydrophobicContact CD1-CG2 4.07Å; I122-V133 HydrophobicContact CG1-CG2 4Å; V133-L136 PolarHBondContact O-N 2.95Å; V133-I137 HydrophobicContact CG1-CD1 3.93Å; V133-I137 VanDerWaalsContact O-CG1 3.31Å; V133-I137 WeakPolarHBondContact O-CG1 3.46Å; V133-I137 PolarHBondContact O-N 2.86Å; V133-E199 WeakPolarHBondContact CA-OE1 3.43Å; V133-E199 VanDerWaalsContact CB-OE1 3.23Å; V133-E199 WeakPolarHBondContact CB-OE1 3.15Å; V133-E199 PolarHBondContact N-OE1 3.5Å
134S98Very high96.8Very high0 Ų052.1 Ų52.10%026%0.261CS..Hα-helixtrans-63.6-42.117762.70000112.9L132 I137 R138 E199L132-S134 PolarHBondContact O-N 3.08Å; S134-I137 PolarHBondContact O-N 3.27Å; S134-R138 VanDerWaalsContact O-CG 3.23Å; S134-R138 WeakPolarHBondContact O-CG 3.26Å; S134-R138 PolarHBondContact O-N 3.39Å; S134-E199 VanDerWaalsContact CB-OE2 3.23Å; S134-E199 WeakPolarHBondContact CB-OE2 3.27Å; S134-E199 PolarHBondContact N-OE1 3.45Å; S134-E199 PolarHBondContact N-OE2 2.88Å; S134-E199 PolarHBondContact OG-OE2 3.22Å
135D97.5Very high96.9Very high18 Ų1851.6 Ų51.610%0.09626%0.258CS..Hα-helixtrans-65.6-44.1174.6-75.3-15.5000111.4L132 I137 R138 E139 R247L132-D135 HydrophobicContact CB-CB 3.99Å; L132-D135 PolarHBondContact O-N 2.78Å; D135-I137 VanDerWaalsContact C-N 3.31Å; D135-I137 PolarHBondContact O-N 3.1Å; D135-R138 PolarHBondContact O-N 3.14Å; D135-R138 VanDerWaalsContact O-N 3.14Å; D135-R138 IonicContact OD1-CZ 3.27Å; D135-R138 IonicContact OD1-NH1 2.79Å; D135-R138 PolarHBondContact OD1-NH1 3.43Å; D135-E139 WeakPolarHBondContact O-CB 3.47Å; D135-E139 VanDerWaalsContact O-CG 3.28Å; D135-E139 WeakPolarHBondContact O-CG 3.46Å; D135-E139 PolarHBondContact O-N 3.31Å; D135-R247 IonicContact OD1-CZ 3.85Å; D135-R247 IonicContact OD1-NH1 3.49Å; D135-R247 IonicContact OD1-NH2 3.21Å; D135-R247 PolarHBondContact OD1-NH2 3.25Å; D135-R247 IonicContact OD2-CZ 3.5Å; D135-R247 IonicContact OD2-NH1 2.93Å; D135-R247 PolarHBondContact OD2-NH1 3.29Å; D135-R247 IonicContact OD2-NH2 2.93Å; D135-R247 PolarHBondContact OD2-NH2 3.12Å
136L97.4Very high97.1Very high0 Ų047.5 Ų47.50%023%0.231CC..Hα-helixtrans-54.9-46.9175175.873.5000111.6I97 I98 I122 R131 L132 V133 Q140I97-L136 HydrophobicContact CB-CD2 4.27Å; I97-L136 HydrophobicContact CG2-CD2 3.79Å; I98-L136 HydrophobicContact CB-CD2 4.49Å; I98-L136 HydrophobicContact CD1-CD2 4.38Å; I98-L136 HydrophobicContact CG1-CD1 4.16Å; I98-L136 HydrophobicContact CG1-CD2 3.42Å; I98-L136 VanDerWaalsContact CG1-CD2 3.42Å; I98-L136 HydrophobicContact CG1-CG 4.39Å; I122-L136 HydrophobicContact CD1-CD2 4.07Å; I122-L136 HydrophobicContact CG1-CD2 3.88Å; R131-L136 VanDerWaalsContact NH2-CD1 3.32Å; L132-L136 PolarHBondContact O-N 3.14Å; V133-L136 PolarHBondContact O-N 2.95Å; L136-Q140 HydrophobicContact CD1-CG 4.22Å; L136-Q140 WeakPolarHBondContact O-CB 3.05Å; L136-Q140 WeakPolarHBondContact O-CG 3.41Å; L136-Q140 PolarHBondContact O-N 3.13Å
137I98.1Very high97.3Very high0 Ų038.1 Ų38.10%019%0.187CC..Hα-helixtrans-62.1-46.2177.9-70.6167000110.4I97 V101 F114 V133 S134 D135 Q140 T141 C145I97-I137 HydrophobicContact CG2-CD1 4.23Å; I97-I137 HydrophobicContact CG2-CG1 3.93Å; V101-I137 HydrophobicContact CG2-CG1 3.83Å; F114-I137 HydrophobicContact CB-CG2 3.83Å; F114-I137 HydrophobicContact CD1-CG2 4.05Å; F114-I137 HydrophobicContact CD2-CG2 3.45Å; F114-I137 VanDerWaalsContact CD2-CG2 3.45Å; F114-I137 HydrophobicContact CE1-CG2 4.49Å; F114-I137 HydrophobicContact CE2-CG2 3.95Å; F114-I137 HydrophobicContact CG-CG2 3.5Å; F114-I137 HydrophobicContact CZ-CG2 4.43Å; V133-I137 HydrophobicContact CG1-CD1 3.93Å; V133-I137 VanDerWaalsContact O-CG1 3.31Å; V133-I137 WeakPolarHBondContact O-CG1 3.46Å; V133-I137 PolarHBondContact O-N 2.86Å; S134-I137 PolarHBondContact O-N 3.27Å; D135-I137 VanDerWaalsContact C-N 3.31Å; D135-I137 PolarHBondContact O-N 3.1Å; I137-Q140 PolarHBondContact O-N 2.79Å; I137-T141 WeakPolarHBondContact O-CB 3.26Å; I137-T141 WeakPolarHBondContact O-CG2 3.4Å; I137-T141 PolarHBondContact O-N 3.47Å; I137-T141 PolarHBondContact O-OG1 3.18Å; I137-C145 HydrophobicContact CB-CB 4.28Å; I137-C145 HydrophobicContact CG2-CB 4.01Å
138R97.5Very high97.4Very high52 Ų5233.3 Ų33.320%0.19617%0.165CC..Hα-helixtrans-60.3-48178.9-69.9164.6-163.6149.1-2.6111.7S134 D135 Q140 G142 K143 C145 D195S134-R138 VanDerWaalsContact O-CG 3.23Å; S134-R138 WeakPolarHBondContact O-CG 3.26Å; S134-R138 PolarHBondContact O-N 3.39Å; D135-R138 PolarHBondContact O-N 3.14Å; D135-R138 VanDerWaalsContact O-N 3.14Å; D135-R138 IonicContact OD1-CZ 3.27Å; D135-R138 IonicContact OD1-NH1 2.79Å; D135-R138 PolarHBondContact OD1-NH1 3.43Å; R138-Q140 PolarHBondContact O-N 3.19Å; R138-G142 VanDerWaalsContact O-CA 3.23Å; R138-G142 WeakPolarHBondContact O-CA 3.23Å; R138-G142 PolarHBondContact O-N 3.24Å; R138-K143 WeakPolarHBondContact CA-O 3.38Å; R138-K143 WeakPolarHBondContact CG-O 3.32Å; R138-C145 HydrophobicContact CG-CB 3.93Å; R138-C145 PolarHBondContact NE-O 3.43Å; R138-C145 PolarHBondContact NH2-O 3.22Å; R138-D195 IonicContact CZ-OD2 3.65Å; R138-D195 IonicContact NH1-OD2 3.65Å; R138-D195 PolarHBondContact NH1-OD2 3.45Å; R138-D195 IonicContact NH2-OD2 2.89Å; R138-D195 PolarHBondContact NH2-OD2 3.03Å
139E96.8Very high97.4Very high126 Ų12631.1 Ų31.159%0.58915%0.154SC*.Hα-helixtrans-64.6-40-177.8-71.8170.5-150.800112.3R131 D135R131-E139 IonicContact CZ-OE2 3.33Å; R131-E139 IonicContact NE-OE2 3.48Å; R131-E139 IonicContact NH2-OE2 2.77Å; R131-E139 PolarHBondContact NH2-OE2 3.43Å; D135-E139 WeakPolarHBondContact O-CB 3.47Å; D135-E139 VanDerWaalsContact O-CG 3.28Å; D135-E139 WeakPolarHBondContact O-CG 3.46Å; D135-E139 PolarHBondContact O-N 3.31Å
140Q96.6Very high97.3Very high55 Ų5526.7 Ų26.726%0.25714%0.137SC..Hα-helixtrans-84.9-21.5-176-70.6-170.5-1100114.5V101 L136 I137 R138V101-Q140 HydrophobicContact CG1-CB 3.49Å; V101-Q140 VanDerWaalsContact CG1-CB 3.49Å; V101-Q140 HydrophobicContact CG1-CG 4.45Å; V101-Q140 VanDerWaalsContact CG1-OE1 3.28Å; L136-Q140 HydrophobicContact CD1-CG 4.22Å; L136-Q140 WeakPolarHBondContact O-CB 3.05Å; L136-Q140 WeakPolarHBondContact O-CG 3.41Å; L136-Q140 PolarHBondContact O-N 3.13Å; I137-Q140 PolarHBondContact O-N 2.79Å; R138-Q140 PolarHBondContact O-N 3.19Å
141T97.4Very high97Very high19 Ų1926.6 Ų26.612%0.11714%0.138CC..Hα-helixtrans-112-17.9-177.766.80000113.8V101 K105 I108 F114 I137 K143V101-T141 HydrophobicContact CG1-CG2 3.42Å; V101-T141 VanDerWaalsContact CG1-CG2 3.42Å; K105-T141 HydrophobicContact CB-CG2 4.37Å; I108-T141 HydrophobicContact CD1-CG2 3.67Å; F114-T141 HydrophobicContact CE2-CG2 3.89Å; F114-T141 HydrophobicContact CZ-CG2 4.07Å; I137-T141 WeakPolarHBondContact O-CB 3.26Å; I137-T141 WeakPolarHBondContact O-CG2 3.4Å; I137-T141 PolarHBondContact O-N 3.47Å; I137-T141 PolarHBondContact O-OG1 3.18Å; T141-K143 PolarHBondContact O-N 3.48Å; T141-K143 WeakPolarHBondContact OG1-CB 3.44Å; T141-K143 PolarHBondContact OG1-N 3.45Å; T141-K143 VanDerWaalsContact OG1-N 3.11Å
142G96.7Very high96.7Very high67 Ų6725 Ų2569%0.69113%0.133SC*.SBendtrans67.58.8-168.400000113.8R138R138-G142 VanDerWaalsContact O-CA 3.23Å; R138-G142 WeakPolarHBondContact O-CA 3.23Å; R138-G142 PolarHBondContact O-N 3.24Å
143K97.5Very high96.3Very high27 Ų2726 Ų2612%0.11714%0.139CC..  trans-103.5153.3-175.5-53.3-50.9175.9-1690111.7I108 E110 F114 R138 T141I108-K143 HydrophobicContact CG2-CG 4.01Å; E110-K143 VanDerWaalsContact CD-NZ 3.25Å; E110-K143 WeakPolarHBondContact O-CE 3.46Å; E110-K143 PolarHBondContact O-NZ 3.21Å; E110-K143 IonicContact OE1-NZ 3.81Å; E110-K143 PolarHBondContact OE1-NZ 2.91Å; E110-K143 IonicContact OE2-NZ 2.7Å; E110-K143 PolarHBondContact OE2-NZ 2.88Å; F114-K143 HydrophobicContact CD2-CB 4.07Å; F114-K143 HydrophobicContact CE2-CB 4.06Å; F114-K143 HydrophobicContact CE2-CG 4.38Å; R138-K143 WeakPolarHBondContact CA-O 3.38Å; R138-K143 WeakPolarHBondContact CG-O 3.32Å; T141-K143 PolarHBondContact O-N 3.48Å; T141-K143 WeakPolarHBondContact OG1-CB 3.44Å; T141-K143 PolarHBondContact OG1-N 3.45Å; T141-K143 VanDerWaalsContact OG1-N 3.11Å
144R97.8Very high95.9Very high120 Ų12026.7 Ų26.745%0.45315%0.145SC..  trans-61.7147.9174.8-66177.3-68.3177.81.1109.8Y113 F114 C174Y113-R144 WeakPolarHBondContact CA-O 3.46Å; Y113-R144 WeakPolarHBondContact CB-O 3.45Å; F114-R144 PolarHBondContact N-O 2.88Å; R144-C174 PolarHBondContact NH1-SG 3.14Å
145C98.5Very high95.6Very high6 Ų632.6 Ų32.64%0.04118%0.176CC..EExtended strand (participates in β ladder)trans-137.1127.6174.3-171.50000109.4F114 I137 R138F114-C145 HydrophobicContact CB-CB 4.06Å; F114-C145 CarbonylContact O-C 3.39Å; F114-C145 WeakPolarHBondContact O-CA 3.39Å; I137-C145 HydrophobicContact CB-CB 4.28Å; I137-C145 HydrophobicContact CG2-CB 4.01Å; R138-C145 HydrophobicContact CG-CB 3.93Å; R138-C145 PolarHBondContact NE-O 3.43Å; R138-C145 PolarHBondContact NH2-O 3.22Å
146L98.6Very high95.3Very high4 Ų435.1 Ų35.12%0.02119%0.187CC..EExtended strand (participates in β ladder)trans-101.4161.7171.3-76.469.3000108.9Y113 F114 V115 S116 I167 S169 C174 V178Y113-L146 HydrophobicContact CD2-CD1 3.88Å; Y113-L146 HydrophobicContact CE2-CD1 4.22Å; F114-L146 PolarHBondContact O-N 3.49Å; V115-L146 CarbonylContact C-O 3.39Å; V115-L146 WeakPolarHBondContact CA-O 3.48Å; S116-L146 PolarHBondContact N-O 3.48Å; L146-I167 HydrophobicContact CD2-CG2 4.34Å; L146-S169 VanDerWaalsContact CD2-OG 3.24Å; L146-S169 WeakPolarHBondContact CD2-OG 3.48Å; L146-S169 VanDerWaalsContact CG-OG 3.29Å; L146-S169 WeakPolarHBondContact CG-OG 3.49Å; L146-C174 HydrophobicContact CD1-CB 3.87Å; L146-C174 HydrophobicContact CD2-CB 3.75Å; L146-C174 HydrophobicContact CG-CB 4.45Å; L146-V178 HydrophobicContact CD2-CB 4.49Å; L146-V178 HydrophobicContact CD2-CG2 3.89Å
147V98.5Very high95.1Very high0 Ų035.1 Ų35.10%019%0.187CC..EExtended strand (participates in β ladder)trans-124.1138.8178.4-168.80000109.3S116 I149 I167 G168 V198 E199S116-V147 CarbonylContact O-C 3.55Å; S116-V147 WeakPolarHBondContact O-CA 3.34Å; V147-I149 HydrophobicContact CG1-CD1 4.15Å; V147-I149 HydrophobicContact CG1-CG1 3.81Å; V147-I167 CarbonylContact O-C 3.48Å; V147-I167 WeakPolarHBondContact O-CA 3.28Å; V147-G168 PolarHBondContact N-O 3.39Å; V147-G168 PolarHBondContact O-N 2.69Å; V147-V198 HydrophobicContact CB-CG1 4.36Å; V147-V198 HydrophobicContact CG1-CG1 4.15Å; V147-E199 HydrophobicContact CG1-CB 4.17Å; V147-E199 HydrophobicContact CG1-CG 4.29Å; V147-E199 WeakPolarHBondContact CG2-OE2 3.35Å
148V98.5Very high95Very high8 Ų836.3 Ų36.35%0.04819%0.194CC..EExtended strand (participates in β ladder)trans-127.9115173.8-1760000109.1V115 S116 F117 A165 T166 I167 V178 L182 L189V115-V148 HydrophobicContact CG1-CG2 3.6Å; S116-V148 PolarHBondContact O-N 2.85Å; F117-V148 HydrophobicContact CD1-CB 3.78Å; F117-V148 HydrophobicContact CD1-CG1 4.11Å; F117-V148 HydrophobicContact CE1-CB 3.69Å; F117-V148 HydrophobicContact CE1-CG1 3.87Å; F117-V148 HydrophobicContact CE1-CG2 4.16Å; F117-V148 HydrophobicContact CZ-CB 4.49Å; V148-A165 HydrophobicContact CG1-CB 4.11Å; V148-T166 VanDerWaalsContact CA-O 3.31Å; V148-T166 WeakPolarHBondContact CA-O 3.42Å; V148-I167 HydrophobicContact CG2-CG1 4.1Å; V148-I167 HydrophobicContact CG2-CG2 4.38Å; V148-V178 HydrophobicContact CG2-CG1 4.02Å; V148-L182 HydrophobicContact CG1-CD1 4.31Å; V148-L182 HydrophobicContact CG2-CD1 4.22Å; V148-L189 HydrophobicContact CG1-CD2 4.07Å
149I96.8Very high94.8Very high4 Ų436.2 Ų36.22%0.02121%0.21CC..EExtended strand (participates in β ladder)trans-133.1139.8179.8-55.6-64000108.8C118 K119 V147 T166 V198 C258C118-I149 WeakPolarHBondContact O-CD1 3.29Å; K119-I149 HydrophobicContact CG-CD1 4.04Å; V147-I149 HydrophobicContact CG1-CD1 4.15Å; V147-I149 HydrophobicContact CG1-CG1 3.81Å; I149-T166 PolarHBondContact N-O 3.42Å; I149-T166 WeakPolarHBondContact O-CB 3.42Å; I149-T166 PolarHBondContact O-N 2.67Å; I149-V198 HydrophobicContact CB-CG1 3.88Å; I149-V198 HydrophobicContact CG1-CG1 3.78Å; I149-C258 HydrophobicContact CB-CB 3.74Å; I149-C258 HydrophobicContact CG2-CB 3.73Å
150G92.6Very high94.7Very high1 Ų135.8 Ų35.81%0.0121%0.208CC..  trans-169.4168.6172.700000111.7K119 T152 S257K119-G150 PolarHBondContact NZ-O 3.41Å; G150-T152 PolarHBondContact O-N 3.39Å; G150-T152 PolarHBondContact O-OG1 3.28Å; G150-S257 WeakPolarHBondContact CA-OG 3.4Å
151A91Very high94.7Very high12 Ų1238.3 Ų38.310%0.09922%0.22CC..SBendtrans-63.462.3172.500000112.7T163 S257 A261 E262 M265A151-T163 PolarHBondContact O-OG1 3.18Å; A151-S257 PolarHBondContact N-OG 3.15Å; A151-S257 VanDerWaalsContact N-OG 3.12Å; A151-A261 HydrophobicContact CB-CB 3.49Å; A151-A261 VanDerWaalsContact CB-CB 3.49Å; A151-E262 WeakPolarHBondContact CA-OE2 3.43Å; A151-E262 PolarHBondContact N-OE2 3.1Å; A151-M265 HydrophobicContact CB-CG 3.52Å
152T89.1Confident94.6Very high7 Ų744.2 Ų44.24%0.04324%0.244CC..  trans-125.1127.9-170.958.90000110.6W13 G150 V157 T163 A165W13-T152 VanDerWaalsContact CH2-CB 3.43Å; W13-T152 HydrophobicContact CH2-CG2 4.04Å; W13-T152 WeakPolarHBondContact CH2-OG1 3.34Å; W13-T152 WeakPolarHBondContact CZ2-OG1 3.43Å; G150-T152 PolarHBondContact O-N 3.39Å; G150-T152 PolarHBondContact O-OG1 3.28Å; T152-V157 HydrophobicContact CG2-CG2 4.27Å; T152-T163 HydrophobicContact CG2-CG2 4.06Å; T152-T163 WeakPolarHBondContact CG2-OG1 3.47Å; T152-A165 HydrophobicContact CG2-CB 4.39Å
153T89.4Confident94.5Very high19 Ų1941.7 Ų41.712%0.11722%0.215CC..  trans-100.6147.3163.375.60000109.5L155 E156 V157 M265 D279T153-L155 VanDerWaalsContact C-N 3.26Å; T153-L155 PolarHBondContact O-N 3.43Å; T153-E156 PolarHBondContact O-N 3.11Å; T153-E156 WeakPolarHBondContact OG1-CB 3.43Å; T153-E156 WeakPolarHBondContact OG1-CG 3.43Å; T153-E156 PolarHBondContact OG1-N 3.28Å; T153-E156 VanDerWaalsContact OG1-N 3.14Å; T153-E156 PolarHBondContact OG1-OE2 3.1Å; T153-V157 WeakPolarHBondContact O-CB 3.35Å; T153-V157 VanDerWaalsContact O-CG2 3.27Å; T153-V157 WeakPolarHBondContact O-CG2 3.43Å; T153-V157 PolarHBondContact O-N 3.49Å; T153-V157 VanDerWaalsContact O-N 3.11Å; T153-M265 HydrophobicContact CG2-CE 3.93Å; T153-D279 VanDerWaalsContact CG2-OD2 3.23Å; T153-D279 WeakPolarHBondContact CG2-OD2 3.24Å
154A90.4Very high94.5Very high15 Ų1544.9 Ų44.912%0.12423%0.23CC..Hα-helixtrans-59.4-40.9178.100000111.7S12 W13 A16 V158S12-A154 VanDerWaalsContact C-CB 3.48Å; S12-A154 WeakPolarHBondContact O-CB 3.46Å; W13-A154 HydrophobicContact CE3-CB 4Å; A16-A154 HydrophobicContact CB-CB 4.28Å; A154-V158 WeakPolarHBondContact O-CG1 3.48Å; A154-V158 WeakPolarHBondContact O-CG2 3.44Å; A154-V158 PolarHBondContact O-N 3.11Å; A154-V158 VanDerWaalsContact O-N 3.11Å
155L90.6Very high94.5Very high124 Ų12439.4 Ų39.465%0.64921%0.211SC*.Hα-helixtrans-66.3-43.9-177.6-72.9169.9000112.4L63 T153 V158 G159L63-L155 HydrophobicContact CD2-CD2 3.58Å; L63-L155 HydrophobicContact CD2-CG 4.29Å; T153-L155 VanDerWaalsContact C-N 3.26Å; T153-L155 PolarHBondContact O-N 3.43Å; L155-V158 WeakPolarHBondContact O-CG2 3.28Å; L155-G159 PolarHBondContact O-N 2.85Å
156E91.9Very high94.5Very high71 Ų7139.1 Ų39.133%0.33221%0.209SC..Hα-helixtrans-72.2-36.8-179.4-67173.3163.900111.7T153 G159 E160 Q161T153-E156 PolarHBondContact O-N 3.11Å; T153-E156 WeakPolarHBondContact OG1-CB 3.43Å; T153-E156 WeakPolarHBondContact OG1-CG 3.43Å; T153-E156 PolarHBondContact OG1-N 3.28Å; T153-E156 VanDerWaalsContact OG1-N 3.14Å; T153-E156 PolarHBondContact OG1-OE2 3.1Å; E156-G159 CarbonylContact O-C 3.56Å; E156-G159 PolarHBondContact O-N 3.3Å; E156-E160 PolarHBondContact O-N 3Å; E156-E160 VanDerWaalsContact O-N 3.14Å; E156-Q161 HydrophobicContact CB-CB 4.18Å; E156-Q161 HydrophobicContact CB-CG 4.47Å; E156-Q161 VanDerWaalsContact CG-OE1 3.3Å; E156-Q161 PolarHBondContact O-N 3.05Å
157V93.6Very high94.5Very high1 Ų139 Ų391%0.00621%0.208CC..Hα-helixtrans-63.7-43.5176.1168.60000111.3W13 A16 T152 T153 G159 E160 T163 Y186 M187W13-V157 HydrophobicContact CH2-CG2 4Å; W13-V157 HydrophobicContact CZ3-CB 4.22Å; W13-V157 HydrophobicContact CZ3-CG2 3.84Å; A16-V157 HydrophobicContact CB-CG1 4.23Å; T152-V157 HydrophobicContact CG2-CG2 4.27Å; T153-V157 WeakPolarHBondContact O-CB 3.35Å; T153-V157 VanDerWaalsContact O-CG2 3.27Å; T153-V157 WeakPolarHBondContact O-CG2 3.43Å; T153-V157 PolarHBondContact O-N 3.49Å; T153-V157 VanDerWaalsContact O-N 3.11Å; V157-G159 VanDerWaalsContact C-N 3.31Å; V157-E160 PolarHBondContact O-N 3.1Å; V157-T163 HydrophobicContact CG2-CG2 3.78Å; V157-Y186 HydrophobicContact CG1-CE2 4.17Å; V157-Y186 WeakPolarHBondContact O-CE2 3.31Å; V157-M187 HydrophobicContact CG1-SD 4.07Å; V157-M187 HydrophobicContact CG2-SD 4.39Å
158V94.6Very high94.5Very high24 Ų2439 Ų3915%0.14521%0.208CC..Hα-helixtrans-78.1-20.1176.9-56.20000113A16 K19 L63 L66 A154 L155 E160A16-V158 HydrophobicContact CB-CG1 3.55Å; K19-V158 HydrophobicContact CD-CB 4.43Å; K19-V158 HydrophobicContact CD-CG1 4.22Å; L63-V158 HydrophobicContact CD1-CG1 3.82Å; L63-V158 HydrophobicContact CD1-CG2 4.13Å; L63-V158 HydrophobicContact CD2-CG2 4.41Å; L66-V158 HydrophobicContact CD1-CB 4.12Å; L66-V158 HydrophobicContact CD2-CB 4.15Å; L66-V158 HydrophobicContact CD2-CG1 3.86Å; A154-V158 WeakPolarHBondContact O-CG1 3.48Å; A154-V158 WeakPolarHBondContact O-CG2 3.44Å; A154-V158 PolarHBondContact O-N 3.11Å; A154-V158 VanDerWaalsContact O-N 3.11Å; L155-V158 WeakPolarHBondContact O-CG2 3.28Å; V158-E160 PolarHBondContact O-N 2.9Å
159G94.1Very high94.4Very high51 Ų5138.6 Ų38.653%0.52621%0.206SC..THydrogen-bonded Turntrans-79.4616800000113.8L155 E156 V157 Q161L155-G159 PolarHBondContact O-N 2.85Å; E156-G159 CarbonylContact O-C 3.56Å; E156-G159 PolarHBondContact O-N 3.3Å; V157-G159 VanDerWaalsContact C-N 3.31Å; G159-Q161 PolarHBondContact O-N 3.2Å
160E95.3Very high94.4Very high116 Ų11643.2 Ų43.254%0.54223%0.226SC..THydrogen-bonded Turntrans56.330.7177.3-51.6-168.4165.300113.8K19 E156 V157 V158 Y186K19-E160 IonicContact NZ-OE1 2.77Å; E156-E160 PolarHBondContact O-N 3Å; E156-E160 VanDerWaalsContact O-N 3.14Å; V157-E160 PolarHBondContact O-N 3.1Å; V158-E160 PolarHBondContact O-N 2.9Å; E160-Y186 HydrophobicContact CB-CD1 3.61Å; E160-Y186 HydrophobicContact CB-CE1 4.02Å; E160-Y186 HydrophobicContact CB-CG 3.88Å; E160-Y186 HydrophobicContact CG-CD1 3.74Å; E160-Y186 HydrophobicContact CG-CE1 3.6Å; E160-Y186 HydrophobicContact CG-CG 4.34Å; E160-Y186 VanDerWaalsContact O-CB 3.26Å; E160-Y186 WeakPolarHBondContact O-CB 3.23Å
161Q94.8Very high94.6Very high109 Ų10944.5 Ų44.551%0.50924%0.235SC..  trans-76.7144.1171.6-61.6-168.3-9.800110.3E156 G159 T163E156-Q161 HydrophobicContact CB-CB 4.18Å; E156-Q161 HydrophobicContact CB-CG 4.47Å; E156-Q161 VanDerWaalsContact CG-OE1 3.3Å; E156-Q161 PolarHBondContact O-N 3.05Å; G159-Q161 PolarHBondContact O-N 3.2Å; Q161-T163 PolarHBondContact O-N 3.45Å
162F96.2Very high94.9Very high142 Ų14247.5 Ų47.562%0.62325%0.249SC*.  trans-61.5126.7-180179.4-97.3000111.2E164 Y186 K188F162-E164 HydrophobicContact CE1-CG 4.12Å; F162-E164 HydrophobicContact CZ-CG 3.94Å; F162-Y186 CarbonylContact C-O 3.6Å; F162-Y186 VanDerWaalsContact CA-O 3.26Å; F162-Y186 WeakPolarHBondContact CA-O 3.46Å; F162-K188 HydrophobicContact CE2-CG 3.87Å
163T94.7Very high95.3Very high15 Ų1553.6 Ų53.69%0.09228%0.277CS..EExtended strand (participates in β ladder)trans-150161.9178.9-170.50000111.2A151 T152 V157 Q161 Y186 M187 K188A151-T163 PolarHBondContact O-OG1 3.18Å; T152-T163 HydrophobicContact CG2-CG2 4.06Å; T152-T163 WeakPolarHBondContact CG2-OG1 3.47Å; V157-T163 HydrophobicContact CG2-CG2 3.78Å; Q161-T163 PolarHBondContact O-N 3.45Å; T163-Y186 PolarHBondContact N-O 3.43Å; T163-M187 HydrophobicContact CG2-CB 4.09Å; T163-M187 HydrophobicContact CG2-CG 3.98Å; T163-M187 WeakPolarHBondContact O-CA 3.41Å; T163-K188 PolarHBondContact O-N 3.01Å
164E96.7Very high95.7Very high93 Ų9352.8 Ų52.844%0.43527%0.272SS..EExtended strand (participates in β ladder)trans-127144.9179.5-64.8-172.110300111.1F162 K188 S257F162-E164 HydrophobicContact CE1-CG 4.12Å; F162-E164 HydrophobicContact CZ-CG 3.94Å; E164-K188 CarbonylContact C-O 3.57Å; E164-K188 VanDerWaalsContact CA-O 3.25Å; E164-K188 WeakPolarHBondContact CA-O 3.45Å; E164-K188 HydrophobicContact CG-CB 4.48Å; E164-S257 WeakPolarHBondContact O-CB 2.95Å; E164-S257 PolarHBondContact O-OG 3.09Å
165A97.8Very high96.1Very high5 Ų552 Ų524%0.04127%0.266CS..EExtended strand (participates in β ladder)trans-134.7158.8170.500000111.8V148 T152 K188 L189 V190V148-A165 HydrophobicContact CG1-CB 4.11Å; T152-A165 HydrophobicContact CG2-CB 4.39Å; A165-K188 PolarHBondContact N-O 2.87Å; A165-L189 HydrophobicContact CB-CD2 4.12Å; A165-L189 HydrophobicContact CB-CG 4.29Å; A165-L189 VanDerWaalsContact O-CA 3.25Å; A165-L189 WeakPolarHBondContact O-CA 3.48Å; A165-V190 PolarHBondContact O-N 2.9Å
166T98.6Very high96.5Very high1 Ų152.9 Ų52.91%0.00626%0.26CS..EExtended strand (participates in β ladder)trans-111.7126.7-178.8-51.90000109.9V148 I149 T192 V198 Q256 S257 C258V148-T166 VanDerWaalsContact CA-O 3.31Å; V148-T166 WeakPolarHBondContact CA-O 3.42Å; I149-T166 PolarHBondContact N-O 3.42Å; I149-T166 WeakPolarHBondContact O-CB 3.42Å; I149-T166 PolarHBondContact O-N 2.67Å; T166-T192 HydrophobicContact CG2-CG2 3.69Å; T166-V198 HydrophobicContact CG2-CG2 3.57Å; T166-Q256 HydrophobicContact CG2-CB 4.23Å; T166-S257 PolarHBondContact OG1-N 3.18Å; T166-C258 PolarHBondContact OG1-N 3.11Å
167I98.7Very high96.8Very high0 Ų049.6 Ų49.60%025%0.245CC..EExtended strand (participates in β ladder)trans-96.4109.8173.7-54.6170000108.2L146 V147 V148 V178 K179 L189 V190 I191 T192L146-I167 HydrophobicContact CD2-CG2 4.34Å; V147-I167 CarbonylContact O-C 3.48Å; V147-I167 WeakPolarHBondContact O-CA 3.28Å; V148-I167 HydrophobicContact CG2-CG1 4.1Å; V148-I167 HydrophobicContact CG2-CG2 4.38Å; I167-V178 HydrophobicContact CD1-CB 4.48Å; I167-V178 HydrophobicContact CD1-CG1 4.13Å; I167-V178 HydrophobicContact CG1-CG1 4.5Å; I167-K179 HydrophobicContact CD1-CB 3.7Å; I167-K179 HydrophobicContact CD1-CG 4.47Å; I167-L189 HydrophobicContact CD1-CB 3.85Å; I167-L189 HydrophobicContact CD1-CD2 3.77Å; I167-L189 HydrophobicContact CD1-CG 4.42Å; I167-L189 HydrophobicContact CG1-CB 4.13Å; I167-L189 HydrophobicContact CG1-CD2 3.69Å; I167-V190 PolarHBondContact N-O 3.2Å; I167-I191 HydrophobicContact CB-CG1 4.21Å; I167-I191 HydrophobicContact CD1-CG1 4.01Å; I167-I191 WeakPolarHBondContact O-CA 3.24Å; I167-T192 PolarHBondContact O-N 2.77Å; I167-T192 VanDerWaalsContact O-O 3.13Å
168G98.3Very high97Very high0 Ų049.6 Ų49.60%025%0.245CC..EExtended strand (participates in β ladder)trans-83.5111.7166.900000110.8V147V147-G168 PolarHBondContact N-O 3.39Å; V147-G168 PolarHBondContact O-N 2.69Å
169S98.1Very high97.2Very high1 Ų151.4 Ų51.41%0.00725%0.251CS..  trans-148.2124.2-180-176.30000113.5L146 S171 T192 Q193L146-S169 VanDerWaalsContact CD2-OG 3.24Å; L146-S169 WeakPolarHBondContact CD2-OG 3.48Å; L146-S169 VanDerWaalsContact CG-OG 3.29Å; L146-S169 WeakPolarHBondContact CG-OG 3.49Å; S169-S171 VanDerWaalsContact C-N 3.27Å; S169-S171 PolarHBondContact O-N 2.78Å; S169-S171 PolarHBondContact OG-N 2.87Å; S169-S171 VanDerWaalsContact OG-N 3.11Å; S169-S171 PolarHBondContact OG-O 3.14Å; S169-T192 PolarHBondContact N-O 3.01Å; S169-Q193 WeakPolarHBondContact O-CA 3.48Å
170K96.3Very high97.4Very high100 Ų10054.4 Ų54.444%0.43525%0.246SC..SBendtrans-64.2-32.2167.2-62.7-54.1-169.1-155.60112.5Q193 D195 R247K170-Q193 WeakPolarHBondContact CD-O 3.23Å; K170-Q193 PolarHBondContact NZ-O 3.16Å; K170-Q193 PolarHBondContact O-NE2 3.22Å; K170-D195 WeakPolarHBondContact CE-OD1 3.24Å; K170-D195 IonicContact NZ-OD1 2.9Å; K170-D195 PolarHBondContact NZ-OD1 2.96Å; K170-R247 PolarHBondContact NZ-O 2.76Å
171S96.8Very high97.6Very high28 Ų2848.9 Ų48.920%0.19622%0.221CC..  trans-93.6108.1177.1173.30000110.6S169 E173 C174 G175S169-S171 VanDerWaalsContact C-N 3.27Å; S169-S171 PolarHBondContact O-N 2.78Å; S169-S171 PolarHBondContact OG-N 2.87Å; S169-S171 VanDerWaalsContact OG-N 3.11Å; S169-S171 PolarHBondContact OG-O 3.14Å; S171-E173 PolarHBondContact O-N 3.47Å; S171-C174 PolarHBondContact O-N 2.87Å; S171-C174 PolarHBondContact OG-N 3.49Å; S171-C174 PolarHBondContact OG-SG 3.28Å; S171-C174 VanDerWaalsContact OG-SG 3.34Å; S171-G175 PolarHBondContact O-N 3.46Å
172L97.4Very high97.7Very high76 Ų7643.8 Ų43.840%0.39820%0.197SC..Hα-helixtrans-62.2-32.6176.9-176.359.8000112.1G175 R176 I191L172-G175 PolarHBondContact O-N 2.98Å; L172-R176 HydrophobicContact CD1-CG 4.39Å; L172-R176 WeakPolarHBondContact O-CB 3.44Å; L172-R176 VanDerWaalsContact O-CG 3.29Å; L172-R176 WeakPolarHBondContact O-CG 3.49Å; L172-R176 PolarHBondContact O-N 3.43Å; L172-I191 HydrophobicContact CD1-CG2 4.15Å
173E97.7Very high97.8Very high134 Ų13440.1 Ų40.163%0.62618%0.181SC*.Hα-helixtrans-61.5-54.1175.1-174.2-167161.600111.2S171 G175 R176 E177S171-E173 PolarHBondContact O-N 3.47Å; E173-G175 VanDerWaalsContact C-N 3.28Å; E173-G175 PolarHBondContact O-N 3.16Å; E173-R176 PolarHBondContact O-N 2.76Å; E173-E177 PolarHBondContact O-N 2.89Å
174C98.2Very high97.9Very high2 Ų240.2 Ų40.21%0.01418%0.182CC..Hα-helixtrans-63.3-37177.2-63.20000111.2Y113 R144 L146 S171 R176 E177 V178Y113-C174 HydrophobicContact CE1-CB 4.49Å; Y113-C174 HydrophobicContact CE2-CB 4.22Å; R144-C174 PolarHBondContact NH1-SG 3.14Å; L146-C174 HydrophobicContact CD1-CB 3.87Å; L146-C174 HydrophobicContact CD2-CB 3.75Å; L146-C174 HydrophobicContact CG-CB 4.45Å; S171-C174 PolarHBondContact O-N 2.87Å; S171-C174 PolarHBondContact OG-N 3.49Å; S171-C174 PolarHBondContact OG-SG 3.28Å; S171-C174 VanDerWaalsContact OG-SG 3.34Å; C174-R176 PolarHBondContact O-N 3.3Å; C174-E177 WeakPolarHBondContact O-CB 3.46Å; C174-E177 PolarHBondContact O-N 2.86Å; C174-V178 WeakPolarHBondContact O-CG2 3.07Å; C174-V178 PolarHBondContact O-N 2.59Å
175G98.6Very high97.9Very high0 Ų042.7 Ų42.70%020%0.198CC..Hα-helixtrans-62.3-42.2176.600000112.2S171 L172 E173 K179 I191S171-G175 PolarHBondContact O-N 3.46Å; L172-G175 PolarHBondContact O-N 2.98Å; E173-G175 VanDerWaalsContact C-N 3.28Å; E173-G175 PolarHBondContact O-N 3.16Å; G175-K179 WeakPolarHBondContact O-CB 3.3Å; G175-K179 PolarHBondContact O-N 2.73Å; G175-I191 WeakPolarHBondContact O-CD1 3.29Å
176R98.5Very high97.8Very high141 Ų14143.4 Ų43.453%0.53220%0.2SC..Hα-helixtrans-67.4-35.9175-74.1172.7175.8169-1.3112.3L172 E173 C174 K179 R180 I191L172-R176 HydrophobicContact CD1-CG 4.39Å; L172-R176 WeakPolarHBondContact O-CB 3.44Å; L172-R176 VanDerWaalsContact O-CG 3.29Å; L172-R176 WeakPolarHBondContact O-CG 3.49Å; L172-R176 PolarHBondContact O-N 3.43Å; E173-R176 PolarHBondContact O-N 2.76Å; C174-R176 PolarHBondContact O-N 3.3Å; R176-K179 PolarHBondContact O-N 2.82Å; R176-R180 PolarHBondContact O-N 2.67Å; R176-R180 VanDerWaalsContact O-N 3.07Å; R176-R180 PolarHBondContact O-NH1 3.4Å; R176-I191 HydrophobicContact CG-CD1 3.94Å
177E98.1Very high97.7Very high3 Ų343.5 Ų43.51%0.01420%0.201CC..Hα-helixtrans-64.3-51.2174.7-178.5168.7-127.200111.7K3 F31 I87 Y113 E173 C174 K179 R180 L181K3-E177 WeakPolarHBondContact CD-OE1 3.47Å; K3-E177 VanDerWaalsContact CE-OE1 3.31Å; K3-E177 WeakPolarHBondContact CE-OE1 3.32Å; K3-E177 IonicContact NZ-OE1 3.39Å; K3-E177 PolarHBondContact NZ-OE1 2.93Å; K3-E177 IonicContact NZ-OE2 2.67Å; K3-E177 PolarHBondContact NZ-OE2 3.35Å; F31-E177 HydrophobicContact CE1-CG 3.82Å; F31-E177 HydrophobicContact CZ-CG 3.8Å; I87-E177 HydrophobicContact CD1-CG 3.95Å; Y113-E177 VanDerWaalsContact CE1-OE2 3.22Å; Y113-E177 WeakPolarHBondContact CE1-OE2 3.32Å; Y113-E177 VanDerWaalsContact CZ-OE2 3.3Å; Y113-E177 VanDerWaalsContact OH-CD 3.27Å; Y113-E177 WeakPolarHBondContact OH-CG 3.36Å; Y113-E177 PolarHBondContact OH-OE2 3.14Å; E173-E177 PolarHBondContact O-N 2.89Å; C174-E177 WeakPolarHBondContact O-CB 3.46Å; C174-E177 PolarHBondContact O-N 2.86Å; E177-K179 VanDerWaalsContact C-N 3.25Å; E177-K179 PolarHBondContact O-N 2.7Å; E177-R180 PolarHBondContact O-N 3.39Å; E177-L181 HydrophobicContact CG-CD1 4.5Å; E177-L181 PolarHBondContact O-N 2.9Å; E177-L181 VanDerWaalsContact O-N 3.08Å
178V98.6Very high97.7Very high0 Ų046.8 Ų46.80%022%0.215CC..Hα-helixtrans-59.4-38.5174.8172.60000111.3Y113 V115 L146 V148 I167 C174 R180 L181 L182Y113-V178 HydrophobicContact CE2-CG2 3.93Å; V115-V178 HydrophobicContact CG1-CG1 4.05Å; V115-V178 HydrophobicContact CG1-CG2 4.47Å; V115-V178 HydrophobicContact CG2-CG1 4.47Å; V115-V178 HydrophobicContact CG2-CG2 3.5Å; L146-V178 HydrophobicContact CD2-CB 4.49Å; L146-V178 HydrophobicContact CD2-CG2 3.89Å; V148-V178 HydrophobicContact CG2-CG1 4.02Å; I167-V178 HydrophobicContact CD1-CB 4.48Å; I167-V178 HydrophobicContact CD1-CG1 4.13Å; I167-V178 HydrophobicContact CG1-CG1 4.5Å; C174-V178 WeakPolarHBondContact O-CG2 3.07Å; C174-V178 PolarHBondContact O-N 2.59Å; V178-R180 PolarHBondContact O-N 3.04Å; V178-L181 PolarHBondContact O-N 3.42Å; V178-L181 VanDerWaalsContact O-N 3.17Å; V178-L182 HydrophobicContact CG1-CD1 3.64Å; V178-L182 HydrophobicContact CG1-CG 4.34Å; V178-L182 PolarHBondContact O-N 3.32Å
179K98.6Very high97.7Very high62 Ų6246.9 Ų46.927%0.2722%0.215SC..Hα-helixtrans-59.4-42.8173.7-177.4166.1178.1162.70112.2I167 G175 R176 E177 L181 L182 Q183 L189 I191I167-K179 HydrophobicContact CD1-CB 3.7Å; I167-K179 HydrophobicContact CD1-CG 4.47Å; G175-K179 WeakPolarHBondContact O-CB 3.3Å; G175-K179 PolarHBondContact O-N 2.73Å; R176-K179 PolarHBondContact O-N 2.82Å; E177-K179 VanDerWaalsContact C-N 3.25Å; E177-K179 PolarHBondContact O-N 2.7Å; K179-L181 VanDerWaalsContact C-N 3.31Å; K179-L181 PolarHBondContact O-N 2.97Å; K179-L182 PolarHBondContact O-N 3.38Å; K179-Q183 HydrophobicContact CG-CB 4.29Å; K179-Q183 WeakPolarHBondContact O-CB 3.31Å; K179-Q183 PolarHBondContact O-N 2.61Å; K179-L189 WeakPolarHBondContact CE-O 3.49Å; K179-L189 HydrophobicContact CG-CB 4.37Å; K179-L189 PolarHBondContact NZ-O 3.12Å; K179-I191 HydrophobicContact CB-CD1 4.18Å; K179-I191 HydrophobicContact CD-CD1 3.91Å; K179-I191 HydrophobicContact CD-CG1 4.24Å
180R98Very high97.7Very high115 Ų11550.2 Ų50.243%0.43424%0.235SC..Hα-helixtrans-65.9-32.6175.6-73.2-170.9-63.4-76.83.7112.8E30 F31 R176 E177 V178E30-R180 IonicContact OE1-CZ 3.53Å; E30-R180 IonicContact OE1-NH2 2.73Å; E30-R180 PolarHBondContact OE1-NH2 3.15Å; E30-R180 IonicContact OE2-CZ 3.88Å; E30-R180 IonicContact OE2-NE 2.97Å; E30-R180 PolarHBondContact OE2-NE 3.48Å; E30-R180 IonicContact OE2-NH2 2.59Å; E30-R180 PolarHBondContact OE2-NH2 3.07Å; F31-R180 HydrophobicContact CE2-CB 4.36Å; R176-R180 PolarHBondContact O-N 2.67Å; R176-R180 VanDerWaalsContact O-N 3.07Å; R176-R180 PolarHBondContact O-NH1 3.4Å; E177-R180 PolarHBondContact O-N 3.39Å; V178-R180 PolarHBondContact O-N 3.04Å
181L98.5Very high97.8Very high0 Ų047.6 Ų47.60%023%0.225CC..Hα-helixtrans-73.5-31.2178.8-71.8170.4000113.4V5 V21 N24 V25 F31 I87 M89 E177 V178 K179V5-L181 HydrophobicContact CG2-CD1 3.91Å; V5-L181 HydrophobicContact CG2-CD2 3.77Å; V21-L181 WeakPolarHBondContact CA-O 3.48Å; V21-L181 HydrophobicContact CG1-CD2 4.3Å; N24-L181 PolarHBondContact ND2-O 2.89Å; V25-L181 HydrophobicContact CG1-CD2 3.73Å; F31-L181 HydrophobicContact CD1-CD2 3.77Å; F31-L181 HydrophobicContact CD1-CG 4.46Å; F31-L181 HydrophobicContact CD2-CD2 3.52Å; F31-L181 HydrophobicContact CD2-CG 4.41Å; F31-L181 HydrophobicContact CE1-CD1 3.97Å; F31-L181 HydrophobicContact CE1-CD2 3.72Å; F31-L181 HydrophobicContact CE1-CG 3.91Å; F31-L181 HydrophobicContact CE2-CD2 3.46Å; F31-L181 VanDerWaalsContact CE2-CD2 3.46Å; F31-L181 HydrophobicContact CE2-CG 3.86Å; F31-L181 HydrophobicContact CG-CD2 3.69Å; F31-L181 HydrophobicContact CZ-CD1 4.09Å; F31-L181 HydrophobicContact CZ-CD2 3.57Å; F31-L181 HydrophobicContact CZ-CG 3.58Å; I87-L181 HydrophobicContact CD1-CD1 3.52Å; I87-L181 HydrophobicContact CG2-CD1 4.34Å; M89-L181 HydrophobicContact CE-CB 3.93Å; M89-L181 HydrophobicContact CE-CD1 3.69Å; M89-L181 HydrophobicContact CE-CG 4.42Å; E177-L181 HydrophobicContact CG-CD1 4.5Å; E177-L181 PolarHBondContact O-N 2.9Å; E177-L181 VanDerWaalsContact O-N 3.08Å; V178-L181 PolarHBondContact O-N 3.42Å; V178-L181 VanDerWaalsContact O-N 3.17Å; K179-L181 VanDerWaalsContact C-N 3.31Å; K179-L181 PolarHBondContact O-N 2.97Å
182L98.3Very high97.8Very high1 Ų147.2 Ų47.21%0.00522%0.222CC..Hα-helixtrans-106.9-29.7-172.8-65.1176.5000113.6I17 V21 M89 F117 V148 V178 K179 T184 M187 L189I17-L182 HydrophobicContact CD1-CD2 4.14Å; I17-L182 HydrophobicContact CG2-CD2 4.14Å; V21-L182 HydrophobicContact CG2-CD2 3.85Å; M89-L182 HydrophobicContact CE-CD2 4.4Å; M89-L182 HydrophobicContact SD-CD2 4.35Å; F117-L182 HydrophobicContact CE1-CD1 3.77Å; F117-L182 HydrophobicContact CE1-CD2 4.48Å; F117-L182 HydrophobicContact CZ-CD1 3.75Å; F117-L182 HydrophobicContact CZ-CD2 4.16Å; V148-L182 HydrophobicContact CG1-CD1 4.31Å; V148-L182 HydrophobicContact CG2-CD1 4.22Å; V178-L182 HydrophobicContact CG1-CD1 3.64Å; V178-L182 HydrophobicContact CG1-CG 4.34Å; V178-L182 PolarHBondContact O-N 3.32Å; K179-L182 PolarHBondContact O-N 3.38Å; L182-T184 PolarHBondContact O-N 3.04Å; L182-M187 HydrophobicContact CB-CE 4.01Å; L182-M187 WeakPolarHBondContact O-CE 3.47Å; L182-L189 HydrophobicContact CB-CD1 3.94Å; L182-L189 HydrophobicContact CB-CD2 3.97Å; L182-L189 HydrophobicContact CD1-CD2 4.01Å
183Q97.7Very high97.8Very high65 Ų6549.5 Ų49.530%0.30423%0.231SC..  trans-69.6131.7-172.4-173.9169.3-101.800111.4N24 K179 M187 K188 L189N24-Q183 PolarHBondContact ND2-O 3.09Å; N24-Q183 PolarHBondContact OD1-O 3.38Å; K179-Q183 HydrophobicContact CG-CB 4.29Å; K179-Q183 WeakPolarHBondContact O-CB 3.31Å; K179-Q183 PolarHBondContact O-N 2.61Å; Q183-M187 WeakPolarHBondContact CA-O 3Å; Q183-M187 WeakPolarHBondContact CG-O 3.22Å; Q183-K188 HydrophobicContact CG-CD 4.09Å; Q183-L189 VanDerWaalsContact CA-CD1 3.46Å; Q183-L189 HydrophobicContact CB-CD1 3.71Å; Q183-L189 HydrophobicContact CG-CD1 4.31Å
184T96.6Very high97.8Very high17 Ų1743.3 Ų43.310%0.10420%0.202CC..  trans-128.4-172174680000109.4L182 Y186 M187 K188L182-T184 PolarHBondContact O-N 3.04Å; T184-Y186 VanDerWaalsContact C-N 3.3Å; T184-Y186 HydrophobicContact CG2-CE1 4.05Å; T184-Y186 HydrophobicContact CG2-CE2 4.28Å; T184-Y186 VanDerWaalsContact OG1-CD1 3.27Å; T184-Y186 WeakPolarHBondContact OG1-CD1 3.45Å; T184-Y186 WeakPolarHBondContact OG1-CD2 3.4Å; T184-Y186 VanDerWaalsContact OG1-CE1 3.31Å; T184-Y186 WeakPolarHBondContact OG1-CE1 3.41Å; T184-Y186 VanDerWaalsContact OG1-CE2 3.24Å; T184-Y186 WeakPolarHBondContact OG1-CE2 3.29Å; T184-Y186 VanDerWaalsContact OG1-CG 3.23Å; T184-Y186 PolarHBondContact OG1-N 3.16Å; T184-M187 PolarHBondContact N-O 2.92Å; T184-M187 PolarHBondContact OG1-N 3.44Å; T184-K188 WeakPolarHBondContact O-CD 3.28Å; T184-K188 WeakPolarHBondContact O-CE 3.3Å; T184-K188 PolarHBondContact O-NZ 3.17Å
185D96.1Very high97.8Very high145 Ų14543.3 Ų43.378%0.77520%0.202SC*.SBendtrans-68.4-32.3171.6-73-25.3000112.7K188D185-K188 WeakPolarHBondContact O-CE 3.44Å; D185-K188 IonicContact OD1-NZ 2.74Å
186Y96.3Very high97.8Very high21 Ų2143.3 Ų43.38%0.08220%0.202CC..SBendtrans-94.5-25.4-179.557-96.8000113.6K19 V157 E160 F162 T163 T184K19-Y186 PolarHBondContact NZ-OH 3.18Å; V157-Y186 HydrophobicContact CG1-CE2 4.17Å; V157-Y186 WeakPolarHBondContact O-CE2 3.31Å; E160-Y186 HydrophobicContact CB-CD1 3.61Å; E160-Y186 HydrophobicContact CB-CE1 4.02Å; E160-Y186 HydrophobicContact CB-CG 3.88Å; E160-Y186 HydrophobicContact CG-CD1 3.74Å; E160-Y186 HydrophobicContact CG-CE1 3.6Å; E160-Y186 HydrophobicContact CG-CG 4.34Å; E160-Y186 VanDerWaalsContact O-CB 3.26Å; E160-Y186 WeakPolarHBondContact O-CB 3.23Å; F162-Y186 CarbonylContact C-O 3.6Å; F162-Y186 VanDerWaalsContact CA-O 3.26Å; F162-Y186 WeakPolarHBondContact CA-O 3.46Å; T163-Y186 PolarHBondContact N-O 3.43Å; T184-Y186 VanDerWaalsContact C-N 3.3Å; T184-Y186 HydrophobicContact CG2-CE1 4.05Å; T184-Y186 HydrophobicContact CG2-CE2 4.28Å; T184-Y186 VanDerWaalsContact OG1-CD1 3.27Å; T184-Y186 WeakPolarHBondContact OG1-CD1 3.45Å; T184-Y186 WeakPolarHBondContact OG1-CD2 3.4Å; T184-Y186 VanDerWaalsContact OG1-CE1 3.31Å; T184-Y186 WeakPolarHBondContact OG1-CE1 3.41Å; T184-Y186 VanDerWaalsContact OG1-CE2 3.24Å; T184-Y186 WeakPolarHBondContact OG1-CE2 3.29Å; T184-Y186 VanDerWaalsContact OG1-CG 3.23Å; T184-Y186 PolarHBondContact OG1-N 3.16Å
187M97.3Very high97.7Very high3 Ų336.6 Ų36.62%0.01518%0.176CC..EExtended strand (participates in β ladder)trans-114.6104.8179.6-174.2165.968.300110.4A20 V157 T163 L182 Q183 T184 L189A20-M187 HydrophobicContact CB-CE 4.03Å; V157-M187 HydrophobicContact CG1-SD 4.07Å; V157-M187 HydrophobicContact CG2-SD 4.39Å; T163-M187 HydrophobicContact CG2-CB 4.09Å; T163-M187 HydrophobicContact CG2-CG 3.98Å; T163-M187 WeakPolarHBondContact O-CA 3.41Å; L182-M187 HydrophobicContact CB-CE 4.01Å; L182-M187 WeakPolarHBondContact O-CE 3.47Å; Q183-M187 WeakPolarHBondContact CA-O 3Å; Q183-M187 WeakPolarHBondContact CG-O 3.22Å; T184-M187 PolarHBondContact N-O 2.92Å; T184-M187 PolarHBondContact OG1-N 3.44Å; M187-L189 HydrophobicContact CG-CD1 4.27Å
188K97.9Very high97.7Very high68 Ų6836.4 Ų36.430%0.29618%0.176SC..EExtended strand (participates in β ladder)trans-99.3144.1177.9-59.9-57.1-177.9-167.10111F162 T163 E164 A165 Q183 T184 D185F162-K188 HydrophobicContact CE2-CG 3.87Å; T163-K188 PolarHBondContact O-N 3.01Å; E164-K188 CarbonylContact C-O 3.57Å; E164-K188 VanDerWaalsContact CA-O 3.25Å; E164-K188 WeakPolarHBondContact CA-O 3.45Å; E164-K188 HydrophobicContact CG-CB 4.48Å; A165-K188 PolarHBondContact N-O 2.87Å; Q183-K188 HydrophobicContact CG-CD 4.09Å; T184-K188 WeakPolarHBondContact O-CD 3.28Å; T184-K188 WeakPolarHBondContact O-CE 3.3Å; T184-K188 PolarHBondContact O-NZ 3.17Å; D185-K188 WeakPolarHBondContact O-CE 3.44Å; D185-K188 IonicContact OD1-NZ 2.74Å
189L98.4Very high97.7Very high3 Ų336.4 Ų36.42%0.01618%0.176CC..EExtended strand (participates in β ladder)trans-126.1135-177-61.196.1000112.9V148 A165 I167 K179 L182 Q183 M187V148-L189 HydrophobicContact CG1-CD2 4.07Å; A165-L189 HydrophobicContact CB-CD2 4.12Å; A165-L189 HydrophobicContact CB-CG 4.29Å; A165-L189 VanDerWaalsContact O-CA 3.25Å; A165-L189 WeakPolarHBondContact O-CA 3.48Å; I167-L189 HydrophobicContact CD1-CB 3.85Å; I167-L189 HydrophobicContact CD1-CD2 3.77Å; I167-L189 HydrophobicContact CD1-CG 4.42Å; I167-L189 HydrophobicContact CG1-CB 4.13Å; I167-L189 HydrophobicContact CG1-CD2 3.69Å; K179-L189 WeakPolarHBondContact CE-O 3.49Å; K179-L189 HydrophobicContact CG-CB 4.37Å; K179-L189 PolarHBondContact NZ-O 3.12Å; L182-L189 HydrophobicContact CB-CD1 3.94Å; L182-L189 HydrophobicContact CB-CD2 3.97Å; L182-L189 HydrophobicContact CD1-CD2 4.01Å; Q183-L189 VanDerWaalsContact CA-CD1 3.46Å; Q183-L189 HydrophobicContact CB-CD1 3.71Å; Q183-L189 HydrophobicContact CG-CD1 4.31Å; M187-L189 HydrophobicContact CG-CD1 4.27Å
190V97.9Very high97.6Very high70 Ų7033.5 Ų33.542%0.42416%0.163SC..EExtended strand (participates in β ladder)trans-101.9142.5171177.30000109A165 I167A165-V190 PolarHBondContact O-N 2.9Å; I167-V190 PolarHBondContact N-O 3.2Å
191I98.3Very high97.5Very high45 Ų4528.2 Ų28.223%0.23114%0.143CC..EExtended strand (participates in β ladder)trans-106.8130.7177.6-58.6163.6000108.4I167 L172 G175 R176 K179I167-I191 HydrophobicContact CB-CG1 4.21Å; I167-I191 HydrophobicContact CD1-CG1 4.01Å; I167-I191 WeakPolarHBondContact O-CA 3.24Å; L172-I191 HydrophobicContact CD1-CG2 4.15Å; G175-I191 WeakPolarHBondContact O-CD1 3.29Å; R176-I191 HydrophobicContact CG-CD1 3.94Å; K179-I191 HydrophobicContact CB-CD1 4.18Å; K179-I191 HydrophobicContact CD-CD1 3.91Å; K179-I191 HydrophobicContact CD-CG1 4.24Å
192T98Very high97.2Very high20 Ų2028.2 Ų28.212%0.12314%0.143CC..EExtended strand (participates in β ladder)trans-126.6151.5170-178.40000109.9T166 I167 S169 D194 V198T166-T192 HydrophobicContact CG2-CG2 3.69Å; I167-T192 PolarHBondContact O-N 2.77Å; I167-T192 VanDerWaalsContact O-O 3.13Å; S169-T192 PolarHBondContact N-O 3.01Å; T192-D194 VanDerWaalsContact C-N 3.31Å; T192-D194 PolarHBondContact OG1-N 2.77Å; T192-V198 HydrophobicContact CG2-CG2 3.37Å
193Q97.1Very high97Very high124 Ų12428.1 Ų28.158%0.57914%0.143SC*.SBendtrans-86.9-4.8172.4-64-174.4-73.800112.8S169 K170 D195S169-Q193 WeakPolarHBondContact O-CA 3.48Å; K170-Q193 WeakPolarHBondContact CD-O 3.23Å; K170-Q193 PolarHBondContact NZ-O 3.16Å; K170-Q193 PolarHBondContact O-NE2 3.22Å; Q193-D195 VanDerWaalsContact C-N 3.31Å; Q193-D195 PolarHBondContact O-N 3.48Å; Q193-D195 VanDerWaalsContact O-N 3.16Å
194D97.6Very high96.9Very high5 Ų525 Ų253%0.02713%0.129CC..  trans-85.670.9173.1-176.216000111T192 V196 G197 V198 T249 N250 T253T192-D194 VanDerWaalsContact C-N 3.31Å; T192-D194 PolarHBondContact OG1-N 2.77Å; D194-V196 VanDerWaalsContact C-N 3.29Å; D194-V196 PolarHBondContact O-N 3.13Å; D194-G197 PolarHBondContact O-N 3.22Å; D194-G197 WeakPolarHBondContact OD1-CA 3.38Å; D194-G197 PolarHBondContact OD1-N 3.46Å; D194-G197 WeakPolarHBondContact OD2-CA 3.46Å; D194-V198 VanDerWaalsContact O-CG2 3.26Å; D194-V198 WeakPolarHBondContact O-CG2 3.44Å; D194-V198 PolarHBondContact O-N 3Å; D194-V198 VanDerWaalsContact O-N 3.14Å; D194-T249 WeakPolarHBondContact OD1-CA 3.21Å; D194-N250 HydrophobicContact CB-CB 4.44Å; D194-N250 PolarHBondContact OD2-N 3.18Å; D194-T253 WeakPolarHBondContact CB-OG1 3.49Å; D194-T253 WeakPolarHBondContact OD2-CB 3.11Å; D194-T253 PolarHBondContact OD2-OG1 2.89Å
195D97.5Very high96.8Very high1 Ų124.5 Ų24.51%0.00513%0.125CC..Hα-helixtrans-63.7-33.2175.961.9-39.5000113.4R138 K170 Q193 E199R138-D195 IonicContact CZ-OD2 3.65Å; R138-D195 IonicContact NH1-OD2 3.65Å; R138-D195 PolarHBondContact NH1-OD2 3.45Å; R138-D195 IonicContact NH2-OD2 2.89Å; R138-D195 PolarHBondContact NH2-OD2 3.03Å; K170-D195 WeakPolarHBondContact CE-OD1 3.24Å; K170-D195 IonicContact NZ-OD1 2.9Å; K170-D195 PolarHBondContact NZ-OD1 2.96Å; Q193-D195 VanDerWaalsContact C-N 3.31Å; Q193-D195 PolarHBondContact O-N 3.48Å; Q193-D195 VanDerWaalsContact O-N 3.16Å; D195-E199 PolarHBondContact O-N 3.4Å
196V97.9Very high96.7Very high0 Ų017.7 Ų17.70%09%0.088CC..Hα-helixtrans-65.6-49.2176.3176.60000110.7L132 D194 V198 E199 L200 F244 R247 T249L132-V196 HydrophobicContact CD1-CB 4.12Å; L132-V196 HydrophobicContact CD1-CG1 4Å; L132-V196 HydrophobicContact CD1-CG2 3.64Å; D194-V196 VanDerWaalsContact C-N 3.29Å; D194-V196 PolarHBondContact O-N 3.13Å; V196-V198 VanDerWaalsContact C-N 3.33Å; V196-V198 PolarHBondContact O-N 3.31Å; V196-E199 PolarHBondContact O-N 3.36Å; V196-L200 HydrophobicContact CG1-CD1 3.74Å; V196-L200 HydrophobicContact CG1-CG 4.35Å; V196-L200 WeakPolarHBondContact O-CB 3.23Å; V196-L200 WeakPolarHBondContact O-CG 3.35Å; V196-L200 PolarHBondContact O-N 3.49Å; V196-F244 HydrophobicContact CG1-CB 3.83Å; V196-F244 HydrophobicContact CG1-CD1 4.4Å; V196-F244 HydrophobicContact CG1-CD2 3.83Å; V196-F244 HydrophobicContact CG1-CG 3.76Å; V196-R247 HydrophobicContact CB-CB 4.43Å; V196-R247 HydrophobicContact CG2-CB 3.77Å; V196-R247 HydrophobicContact CG2-CG 4.31Å; V196-T249 HydrophobicContact CB-CG2 3.85Å; V196-T249 HydrophobicContact CG1-CG2 3.58Å
197G97.8Very high96.7Very high0 Ų016.7 Ų16.70%09%0.085CC..Hα-helixtrans-60.9-40.8177.100000112.4D194 E199 L200 C201 M240D194-G197 PolarHBondContact O-N 3.22Å; D194-G197 WeakPolarHBondContact OD1-CA 3.38Å; D194-G197 PolarHBondContact OD1-N 3.46Å; D194-G197 WeakPolarHBondContact OD2-CA 3.46Å; G197-E199 VanDerWaalsContact C-N 3.33Å; G197-E199 PolarHBondContact O-N 3.2Å; G197-L200 PolarHBondContact O-N 3.32Å; G197-C201 WeakPolarHBondContact O-CB 3.37Å; G197-C201 PolarHBondContact O-N 3.4Å; G197-C201 PolarHBondContact O-SG 3.25Å; G197-M240 VanDerWaalsContact CA-SD 3.57Å; G197-M240 WeakPolarHBondContact O-CE 3.26Å
198V98.2Very high96.7Very high0 Ų016.6 Ų16.60%08%0.084CC..Hα-helixtrans-58-46.2176.5169.80000111.5V147 I149 T166 T192 D194 V196 G202 T253 C258V147-V198 HydrophobicContact CB-CG1 4.36Å; V147-V198 HydrophobicContact CG1-CG1 4.15Å; I149-V198 HydrophobicContact CB-CG1 3.88Å; I149-V198 HydrophobicContact CG1-CG1 3.78Å; T166-V198 HydrophobicContact CG2-CG2 3.57Å; T192-V198 HydrophobicContact CG2-CG2 3.37Å; D194-V198 VanDerWaalsContact O-CG2 3.26Å; D194-V198 WeakPolarHBondContact O-CG2 3.44Å; D194-V198 PolarHBondContact O-N 3Å; D194-V198 VanDerWaalsContact O-N 3.14Å; V196-V198 VanDerWaalsContact C-N 3.33Å; V196-V198 PolarHBondContact O-N 3.31Å; V198-G202 PolarHBondContact O-N 2.93Å; V198-T253 HydrophobicContact CG2-CG2 3.94Å; V198-C258 HydrophobicContact CG1-CB 4.13Å
199E97.4Very high96.6Very high0 Ų013.3 Ų13.30%07%0.07CC..Hα-helixtrans-72-38.1-178-163.6168.816700112.6L121 L132 V133 S134 V147 D195 V196 G197 S203L121-E199 HydrophobicContact CD2-CG 4.11Å; L132-E199 WeakPolarHBondContact CA-OE1 3.34Å; L132-E199 HydrophobicContact CD2-CB 4.35Å; L132-E199 HydrophobicContact CD2-CG 4.28Å; V133-E199 WeakPolarHBondContact CA-OE1 3.43Å; V133-E199 VanDerWaalsContact CB-OE1 3.23Å; V133-E199 WeakPolarHBondContact CB-OE1 3.15Å; V133-E199 PolarHBondContact N-OE1 3.5Å; S134-E199 VanDerWaalsContact CB-OE2 3.23Å; S134-E199 WeakPolarHBondContact CB-OE2 3.27Å; S134-E199 PolarHBondContact N-OE1 3.45Å; S134-E199 PolarHBondContact N-OE2 2.88Å; S134-E199 PolarHBondContact OG-OE2 3.22Å; V147-E199 HydrophobicContact CG1-CB 4.17Å; V147-E199 HydrophobicContact CG1-CG 4.29Å; V147-E199 WeakPolarHBondContact CG2-OE2 3.35Å; D195-E199 PolarHBondContact O-N 3.4Å; V196-E199 PolarHBondContact O-N 3.36Å; G197-E199 VanDerWaalsContact C-N 3.33Å; G197-E199 PolarHBondContact O-N 3.2Å; E199-S203 WeakPolarHBondContact O-CB 3.27Å; E199-S203 PolarHBondContact O-N 3.43Å; E199-S203 PolarHBondContact O-OG 3.32Å
200L97.3Very high96.5Very high0 Ų013.2 Ų13.20%07%0.069CC..Hα-helixtrans-69.4-37.9175.5-69.9176.2000112.5L121 L132 V196 G197 G202 S203 L204 M240 L243 F244L121-L200 HydrophobicContact CD1-CD2 3.67Å; L121-L200 HydrophobicContact CD2-CD2 4.06Å; L132-L200 HydrophobicContact CD2-CD2 4.12Å; L132-L200 HydrophobicContact CD2-CG 4.26Å; V196-L200 HydrophobicContact CG1-CD1 3.74Å; V196-L200 HydrophobicContact CG1-CG 4.35Å; V196-L200 WeakPolarHBondContact O-CB 3.23Å; V196-L200 WeakPolarHBondContact O-CG 3.35Å; V196-L200 PolarHBondContact O-N 3.49Å; G197-L200 PolarHBondContact O-N 3.32Å; L200-G202 PolarHBondContact O-N 3.25Å; L200-S203 WeakPolarHBondContact CA-OG 3.31Å; L200-S203 PolarHBondContact O-N 3.22Å; L200-S203 PolarHBondContact O-OG 3.06Å; L200-S203 VanDerWaalsContact O-OG 3.1Å; L200-L204 HydrophobicContact CB-CD1 4.15Å; L200-L204 HydrophobicContact CB-CG 4.47Å; L200-L204 HydrophobicContact CD2-CD1 4.25Å; L200-L204 HydrophobicContact CD2-CG 4.44Å; L200-L204 VanDerWaalsContact O-CB 3.23Å; L200-L204 WeakPolarHBondContact O-CB 3.39Å; L200-L204 VanDerWaalsContact O-CG 3.26Å; L200-L204 WeakPolarHBondContact O-CG 3.43Å; L200-L204 PolarHBondContact O-N 2.87Å; L200-M240 HydrophobicContact CB-CE 4.5Å; L200-M240 HydrophobicContact CB-CG 4.08Å; L200-M240 HydrophobicContact CD1-CB 3.95Å; L200-M240 HydrophobicContact CD1-CG 3.77Å; L200-L243 HydrophobicContact CD2-CD1 4.49Å; L200-F244 HydrophobicContact CD1-CD2 3.72Å; L200-F244 HydrophobicContact CD1-CE2 4Å; L200-F244 HydrophobicContact CD2-CE2 4.04Å; L200-F244 HydrophobicContact CG-CE2 4.45Å
201C96.3Very high96.4Very high4 Ų49.9 Ų9.93%0.0275%0.049CC..Hα-helixtrans-57.8-51.6174.5-72.50000111.4G197 S203 K205 M240 C258G197-C201 WeakPolarHBondContact O-CB 3.37Å; G197-C201 PolarHBondContact O-N 3.4Å; G197-C201 PolarHBondContact O-SG 3.25Å; C201-S203 PolarHBondContact O-N 3Å; C201-S203 VanDerWaalsContact O-N 3.11Å; C201-K205 WeakPolarHBondContact O-CB 3.42Å; C201-K205 PolarHBondContact O-N 3.36Å; C201-M240 WeakPolarHBondContact SG-CE 3.39Å; C201-C258 CarbonylContact C-O 3.6Å; C201-C258 HydrophobicContact CB-CB 4.24Å; C201-C258 WeakPolarHBondContact CB-O 3.38Å
202G91.8Very high96.3Very high0 Ų07.7 Ų7.70%04%0.038CC..Hα-helixtrans-62.3-22.6-177.400000114V198 L200 K205V198-G202 PolarHBondContact O-N 2.93Å; L200-G202 PolarHBondContact O-N 3.25Å; G202-K205 VanDerWaalsContact O-CD 3.3Å; G202-K205 WeakPolarHBondContact O-CD 3.26Å; G202-K205 WeakPolarHBondContact O-CE 3.23Å; G202-K205 WeakPolarHBondContact O-CG 3.41Å
203S93.7Very high96.2Very high0 Ų06.8 Ų6.80%03%0.032CC..Hα-helixtrans-104.3-43.5-173.955.70000113.5L121 E199 L200 C201 K205 N206L121-S203 WeakPolarHBondContact CD1-OG 3.41Å; L121-S203 VanDerWaalsContact CG-OG 3.29Å; L121-S203 WeakPolarHBondContact CG-OG 3.23Å; E199-S203 WeakPolarHBondContact O-CB 3.27Å; E199-S203 PolarHBondContact O-N 3.43Å; E199-S203 PolarHBondContact O-OG 3.32Å; L200-S203 WeakPolarHBondContact CA-OG 3.31Å; L200-S203 PolarHBondContact O-N 3.22Å; L200-S203 PolarHBondContact O-OG 3.06Å; L200-S203 VanDerWaalsContact O-OG 3.1Å; C201-S203 PolarHBondContact O-N 3Å; C201-S203 VanDerWaalsContact O-N 3.11Å; S203-K205 VanDerWaalsContact C-N 3.29Å; S203-K205 PolarHBondContact O-N 3.12Å; S203-N206 PolarHBondContact O-N 2.77Å; S203-N206 PolarHBondContact O-ND2 3.02Å
204L95.8Very high96.1Very high0 Ų00.9 Ų0.90%01%0.005CC..Hα-helixtrans-73.9-19-179.3-59.9-176.5000113L121 L200 N206 V207 V236 L239 I323 F339L121-L204 HydrophobicContact CD1-CD2 4.3Å; L200-L204 HydrophobicContact CB-CD1 4.15Å; L200-L204 HydrophobicContact CB-CG 4.47Å; L200-L204 HydrophobicContact CD2-CD1 4.25Å; L200-L204 HydrophobicContact CD2-CG 4.44Å; L200-L204 VanDerWaalsContact O-CB 3.23Å; L200-L204 WeakPolarHBondContact O-CB 3.39Å; L200-L204 VanDerWaalsContact O-CG 3.26Å; L200-L204 WeakPolarHBondContact O-CG 3.43Å; L200-L204 PolarHBondContact O-N 2.87Å; L204-N206 PolarHBondContact O-N 3.44Å; L204-V207 PolarHBondContact O-N 2.83Å; L204-V207 VanDerWaalsContact O-N 3.11Å; L204-V236 HydrophobicContact CB-CG1 4.19Å; L204-V236 HydrophobicContact CB-CG2 3.88Å; L204-V236 HydrophobicContact CD1-CG1 4.22Å; L204-L239 HydrophobicContact CD1-CB 3.97Å; L204-L239 HydrophobicContact CD1-CD1 4.08Å; L204-I323 HydrophobicContact CD2-CD1 3.45Å; L204-I323 VanDerWaalsContact CD2-CD1 3.45Å; L204-F339 HydrophobicContact CB-CE1 4.38Å; L204-F339 HydrophobicContact CB-CZ 4.15Å; L204-F339 HydrophobicContact CD2-CE1 4.25Å
205K94.1Very high96Very high5 Ų50.8 Ų0.82%0.0221%0.005CC..Hα-helixtrans-46.6-34.4169.975.2-176.8174.881.80112.8C201 G202 S203 V207 V208 A209 E262 L263 C266 D281C201-K205 WeakPolarHBondContact O-CB 3.42Å; C201-K205 PolarHBondContact O-N 3.36Å; G202-K205 VanDerWaalsContact O-CD 3.3Å; G202-K205 WeakPolarHBondContact O-CD 3.26Å; G202-K205 WeakPolarHBondContact O-CE 3.23Å; G202-K205 WeakPolarHBondContact O-CG 3.41Å; S203-K205 VanDerWaalsContact C-N 3.29Å; S203-K205 PolarHBondContact O-N 3.12Å; K205-V207 VanDerWaalsContact C-N 3.31Å; K205-V207 PolarHBondContact O-N 2.91Å; K205-V208 CarbonylContact O-C 3.5Å; K205-V208 PolarHBondContact O-N 2.96Å; K205-A209 WeakPolarHBondContact O-CB 3.28Å; K205-A209 PolarHBondContact O-N 3.19Å; K205-E262 HydrophobicContact CD-CB 4.48Å; K205-E262 HydrophobicContact CD-CG 3.3Å; K205-E262 WeakPolarHBondContact CE-OE1 3.35Å; K205-E262 IonicContact NZ-OE1 2.75Å; K205-L263 HydrophobicContact CB-CD1 4.07Å; K205-L263 WeakPolarHBondContact O-CD1 3.45Å; K205-C266 PolarHBondContact NZ-SG 3.16Å; K205-D281 IonicContact NZ-OD1 2.59Å; K205-D281 PolarHBondContact NZ-OD1 2.88Å
206N94.3Very high95.8Very high2 Ų23 Ų31%0.0112%0.016CC..Hα-helixtrans-67.7-33.4-172.1-65.7-53.4000111.5S203 L204 I210 N284 V314S203-N206 PolarHBondContact O-N 2.77Å; S203-N206 PolarHBondContact O-ND2 3.02Å; L204-N206 PolarHBondContact O-N 3.44Å; N206-I210 WeakPolarHBondContact O-CG1 3.34Å; N206-I210 PolarHBondContact O-N 3.32Å; N206-N284 HydrophobicContact CB-CB 4.38Å; N206-N284 WeakPolarHBondContact CB-ND2 3.35Å; N206-N284 WeakPolarHBondContact O-CB 3.48Å; N206-N284 PolarHBondContact OD1-ND2 2.9Å; N206-N284 VanDerWaalsContact OD1-ND2 3.12Å; N206-V314 HydrophobicContact CB-CG1 4.42Å; N206-V314 VanDerWaalsContact ND2-CG1 3.28Å; N206-V314 WeakPolarHBondContact ND2-CG1 3.25Å
207V96.9Very high95.6Very high0 Ų04.2 Ų4.20%03%0.029CC..Hα-helixtrans-69.2-43174-174.50000110.4L204 K205 A209 I210 A211 A320 I323 F339 V342L204-V207 PolarHBondContact O-N 2.83Å; L204-V207 VanDerWaalsContact O-N 3.11Å; K205-V207 VanDerWaalsContact C-N 3.31Å; K205-V207 PolarHBondContact O-N 2.91Å; V207-A209 VanDerWaalsContact C-N 3.32Å; V207-A209 PolarHBondContact O-N 3.32Å; V207-I210 WeakPolarHBondContact O-CB 3.49Å; V207-I210 PolarHBondContact O-N 3.33Å; V207-A211 PolarHBondContact O-N 3.34Å; V207-A320 HydrophobicContact CG1-CB 3.99Å; V207-A320 HydrophobicContact CG2-CB 4.22Å; V207-I323 HydrophobicContact CG2-CD1 4.42Å; V207-F339 HydrophobicContact CB-CD1 3.94Å; V207-F339 HydrophobicContact CB-CE1 3.53Å; V207-F339 HydrophobicContact CB-CZ 3.87Å; V207-F339 HydrophobicContact CG1-CD1 3.59Å; V207-F339 HydrophobicContact CG1-CD2 4.31Å; V207-F339 HydrophobicContact CG1-CE1 3.72Å; V207-F339 HydrophobicContact CG1-CE2 4.46Å; V207-F339 HydrophobicContact CG1-CG 3.91Å; V207-F339 HydrophobicContact CG1-CZ 4.18Å; V207-F339 HydrophobicContact CG2-CD1 4.02Å; V207-F339 HydrophobicContact CG2-CE1 3.6Å; V207-F339 HydrophobicContact CG2-CZ 4.35Å; V207-V342 HydrophobicContact CG1-CB 3.96Å; V207-V342 HydrophobicContact CG1-CG1 3.76Å; V207-V342 HydrophobicContact CG1-CG2 4.24Å
208V97.5Very high95.4Very high1 Ų15.9 Ų5.91%0.0064%0.038CC..Hα-helixtrans-66.2-36.6177.8-172.80000111.2K205 I210 A211 A212 V236 L263 F339K205-V208 CarbonylContact O-C 3.5Å; K205-V208 PolarHBondContact O-N 2.96Å; V208-I210 VanDerWaalsContact C-N 3.32Å; V208-I210 PolarHBondContact O-N 2.98Å; V208-A211 WeakPolarHBondContact O-CB 3.25Å; V208-A211 PolarHBondContact O-N 2.88Å; V208-A211 VanDerWaalsContact O-N 3.14Å; V208-A212 PolarHBondContact O-N 2.59Å; V208-V236 HydrophobicContact CG2-CG2 3.91Å; V208-L263 HydrophobicContact CB-CD1 3.91Å; V208-L263 HydrophobicContact CB-CD2 4.16Å; V208-L263 HydrophobicContact CG1-CD1 4.04Å; V208-L263 HydrophobicContact CG1-CD2 3.57Å; V208-L263 HydrophobicContact CG1-CG 4.47Å; V208-F339 HydrophobicContact CG2-CE2 3.96Å; V208-F339 HydrophobicContact CG2-CZ 4.16Å
209A95.2Very high95.3Very high0 Ų014.3 Ų14.30%08%0.077CC..Hα-helixtrans-62-37174.300000112.1K205 V207 A212 G213 L263 C266 N284 I285K205-A209 WeakPolarHBondContact O-CB 3.28Å; K205-A209 PolarHBondContact O-N 3.19Å; V207-A209 VanDerWaalsContact C-N 3.32Å; V207-A209 PolarHBondContact O-N 3.32Å; A209-A212 PolarHBondContact O-N 3.5Å; A209-G213 PolarHBondContact O-N 3.19Å; A209-L263 HydrophobicContact CB-CD1 4.43Å; A209-C266 HydrophobicContact CB-CB 4.33Å; A209-N284 HydrophobicContact CB-CB 3.97Å; A209-I285 WeakPolarHBondContact O-CA 3.43Å
210I95Very high95.1Very high0 Ų017.2 Ų17.20%09%0.092CC..Hα-helixtrans-62.6-46.6171.5-66.9168.5000110.3N206 V207 V208 A212 G213 I214 N284 V287 G288 L291 A317 V342N206-I210 WeakPolarHBondContact O-CG1 3.34Å; N206-I210 PolarHBondContact O-N 3.32Å; V207-I210 WeakPolarHBondContact O-CB 3.49Å; V207-I210 PolarHBondContact O-N 3.33Å; V208-I210 VanDerWaalsContact C-N 3.32Å; V208-I210 PolarHBondContact O-N 2.98Å; I210-A212 VanDerWaalsContact C-N 3.32Å; I210-A212 PolarHBondContact O-N 2.74Å; I210-G213 PolarHBondContact O-N 2.83Å; I210-I214 HydrophobicContact CG2-CD1 3.94Å; I210-I214 HydrophobicContact CG2-CG1 4.45Å; I210-I214 WeakPolarHBondContact O-CG1 2.93Å; I210-I214 PolarHBondContact O-N 3.38Å; I210-N284 WeakPolarHBondContact CA-O 3.21Å; I210-N284 HydrophobicContact CG1-CB 3.99Å; I210-N284 VanDerWaalsContact CG1-O 3.31Å; I210-N284 WeakPolarHBondContact CG1-O 3.45Å; I210-V287 HydrophobicContact CD1-CG1 4.49Å; I210-V287 HydrophobicContact CG1-CG1 4.42Å; I210-G288 WeakPolarHBondContact O-CA 3.14Å; I210-L291 HydrophobicContact CG2-CD1 4.18Å; I210-A317 HydrophobicContact CD1-CB 4.38Å; I210-V342 HydrophobicContact CB-CG1 4Å; I210-V342 HydrophobicContact CD1-CG1 4.35Å; I210-V342 HydrophobicContact CG2-CG1 3.71Å
211A97.5Very high95Very high0 Ų019.3 Ų19.30%011%0.114CC..Hα-helixtrans-59.7-42.7177.500000112.2V207 V208 I214 C215 V228 L338 V342V207-A211 PolarHBondContact O-N 3.34Å; V208-A211 WeakPolarHBondContact O-CB 3.25Å; V208-A211 PolarHBondContact O-N 2.88Å; V208-A211 VanDerWaalsContact O-N 3.14Å; A211-I214 PolarHBondContact O-N 3.39Å; A211-C215 PolarHBondContact O-N 2.64Å; A211-C215 VanDerWaalsContact O-N 3.12Å; A211-C215 PolarHBondContact O-SG 2.97Å; A211-V228 HydrophobicContact CB-CG1 3.7Å; A211-L338 HydrophobicContact CB-CD1 4.26Å; A211-L338 HydrophobicContact CB-CD2 4.07Å; A211-L338 HydrophobicContact CB-CG 4.19Å; A211-V342 HydrophobicContact CB-CG2 3.73Å
212A96.2Very high95Very high0 Ų025.7 Ų25.70%015%0.148CC..Hα-helixtrans-64-40.4175.100000112.1V208 A209 I210 I214 C215 D216 I229 M267V208-A212 PolarHBondContact O-N 2.59Å; A209-A212 PolarHBondContact O-N 3.5Å; I210-A212 VanDerWaalsContact C-N 3.32Å; I210-A212 PolarHBondContact O-N 2.74Å; A212-I214 VanDerWaalsContact C-N 3.33Å; A212-I214 PolarHBondContact O-N 2.98Å; A212-C215 WeakPolarHBondContact O-CB 3.16Å; A212-C215 PolarHBondContact O-N 3.07Å; A212-D216 PolarHBondContact O-N 3.23Å; A212-D216 VanDerWaalsContact O-N 3.08Å; A212-I229 HydrophobicContact CB-CG1 4.45Å; A212-M267 HydrophobicContact CB-CG 4.21Å; A212-M267 HydrophobicContact CB-SD 3.51Å; A212-M267 VanDerWaalsContact CB-SD 3.51Å
213G94.3Very high95.2Very high0 Ų032.6 Ų32.60%019%0.185CC..Hα-helixtrans-64.7-35.5174.100000112.9A209 I210 C215 D216 G217 I285 G288 R289A209-G213 PolarHBondContact O-N 3.19Å; I210-G213 PolarHBondContact O-N 2.83Å; G213-C215 VanDerWaalsContact C-N 3.29Å; G213-C215 PolarHBondContact O-N 3.42Å; G213-D216 WeakPolarHBondContact O-CB 3.37Å; G213-D216 PolarHBondContact O-N 3.28Å; G213-G217 PolarHBondContact O-N 2.93Å; G213-I285 WeakPolarHBondContact CA-O 3.21Å; G213-G288 CarbonylContact O-C 3.55Å; G213-R289 VanDerWaalsContact O-CA 3.24Å; G213-R289 WeakPolarHBondContact O-CA 3.17Å; G213-R289 VanDerWaalsContact O-CG 3.28Å; G213-R289 WeakPolarHBondContact O-CG 3.37Å; G213-R289 PolarHBondContact O-N 3.24Å
214I95.3Very high95.4Very high0 Ų034.7 Ų34.70%020%0.197CC..Hα-helixtrans-62.7-40.6173.1-68.8161.3000110.4I210 A211 A212 D216 G217 L218 G288 S292 I345 P352 L355I210-I214 HydrophobicContact CG2-CD1 3.94Å; I210-I214 HydrophobicContact CG2-CG1 4.45Å; I210-I214 WeakPolarHBondContact O-CG1 2.93Å; I210-I214 PolarHBondContact O-N 3.38Å; A211-I214 PolarHBondContact O-N 3.39Å; A212-I214 VanDerWaalsContact C-N 3.33Å; A212-I214 PolarHBondContact O-N 2.98Å; I214-D216 VanDerWaalsContact C-N 3.34Å; I214-D216 PolarHBondContact O-N 3.43Å; I214-G217 PolarHBondContact O-N 3.47Å; I214-L218 HydrophobicContact CG2-CD1 3.74Å; I214-L218 HydrophobicContact CG2-CG 4.26Å; I214-L218 WeakPolarHBondContact O-CB 3.14Å; I214-L218 WeakPolarHBondContact O-CG 3.36Å; I214-L218 PolarHBondContact O-N 3.35Å; I214-G288 WeakPolarHBondContact CA-O 3.12Å; I214-G288 WeakPolarHBondContact CG1-O 3.46Å; I214-S292 WeakPolarHBondContact CA-OG 3.42Å; I214-S292 PolarHBondContact O-OG 2.83Å; I214-I345 HydrophobicContact CD1-CD1 4.02Å; I214-I345 HydrophobicContact CD1-CG2 3.96Å; I214-P352 HydrophobicContact CG2-CB 3.99Å; I214-L355 HydrophobicContact CB-CD2 4.01Å; I214-L355 HydrophobicContact CG2-CD2 3.68Å
215C95.9Very high95.4Very high4 Ų436.2 Ų36.23%0.02720%0.204CC..Hα-helixtrans-62.1-41.9175.4-60.80000112.3A211 A212 G213 Q219 L220 K225A211-C215 PolarHBondContact O-N 2.64Å; A211-C215 VanDerWaalsContact O-N 3.12Å; A211-C215 PolarHBondContact O-SG 2.97Å; A212-C215 WeakPolarHBondContact O-CB 3.16Å; A212-C215 PolarHBondContact O-N 3.07Å; G213-C215 VanDerWaalsContact C-N 3.29Å; G213-C215 PolarHBondContact O-N 3.42Å; C215-Q219 PolarHBondContact O-N 3.28Å; C215-Q219 VanDerWaalsContact O-N 3.09Å; C215-L220 PolarHBondContact O-N 2.92Å; C215-L220 VanDerWaalsContact O-N 3.13Å; C215-K225 HydrophobicContact CB-CB 4.12Å; C215-K225 HydrophobicContact CB-CG 4.22Å
216D93.6Very high95.5Very high46 Ų4638.7 Ų38.725%0.24623%0.226CC..Hα-helixtrans-62-51175.5-75.1-5.9000111A212 G213 I214 L218 Q219 K225 R289A212-D216 PolarHBondContact O-N 3.23Å; A212-D216 VanDerWaalsContact O-N 3.08Å; G213-D216 WeakPolarHBondContact O-CB 3.37Å; G213-D216 PolarHBondContact O-N 3.28Å; I214-D216 VanDerWaalsContact C-N 3.34Å; I214-D216 PolarHBondContact O-N 3.43Å; D216-L218 VanDerWaalsContact C-N 3.31Å; D216-L218 PolarHBondContact O-N 2.97Å; D216-Q219 PolarHBondContact O-N 2.83Å; D216-K225 WeakPolarHBondContact OD1-CD 3.38Å; D216-K225 VanDerWaalsContact OD1-CE 3.28Å; D216-K225 WeakPolarHBondContact OD1-CE 3.22Å; D216-K225 IonicContact OD1-NZ 3.39Å; D216-K225 PolarHBondContact OD1-NZ 2.84Å; D216-K225 IonicContact OD2-NZ 3.81Å; D216-K225 PolarHBondContact OD2-NZ 2.97Å; D216-R289 HydrophobicContact CB-CG 3.72Å; D216-R289 IonicContact OD2-CZ 3.85Å; D216-R289 IonicContact OD2-NE 3.22Å; D216-R289 PolarHBondContact OD2-NE 3.38Å; D216-R289 IonicContact OD2-NH2 2.73Å; D216-R289 PolarHBondContact OD2-NH2 2.63Å
217G92.7Very high95.7Very high26 Ų2640.8 Ų40.827%0.26824%0.243SC..Hα-helixtrans-65.8-31.9-177.200000113.5G213 I214 Q219 S292G213-G217 PolarHBondContact O-N 2.93Å; I214-G217 PolarHBondContact O-N 3.47Å; G217-Q219 VanDerWaalsContact C-N 3.35Å; G217-S292 VanDerWaalsContact C-CB 3.42Å
218L95Very high95.8Very high35 Ų3540.9 Ų40.918%0.18324%0.244CC..THydrogen-bonded Turntrans-85.6-3.2173.9-68.3179.2000114.1I214 D216 L220 P352 Q353I214-L218 HydrophobicContact CG2-CD1 3.74Å; I214-L218 HydrophobicContact CG2-CG 4.26Å; I214-L218 WeakPolarHBondContact O-CB 3.14Å; I214-L218 WeakPolarHBondContact O-CG 3.36Å; I214-L218 PolarHBondContact O-N 3.35Å; D216-L218 VanDerWaalsContact C-N 3.31Å; D216-L218 PolarHBondContact O-N 2.97Å; L218-L220 VanDerWaalsContact C-N 3.31Å; L218-L220 HydrophobicContact CB-CD1 4.19Å; L218-L220 HydrophobicContact CB-CD2 3.99Å; L218-L220 HydrophobicContact CB-CG 3.72Å; L218-L220 HydrophobicContact CD1-CD1 4.19Å; L218-L220 PolarHBondContact O-N 3.11Å; L218-P352 HydrophobicContact CD1-CB 4.07Å; L218-P352 WeakPolarHBondContact CD1-O 3.49Å; L218-P352 HydrophobicContact CD2-CB 4.4Å; L218-P352 HydrophobicContact CG-CB 4.47Å; L218-Q353 HydrophobicContact CD1-CG 4.49Å; L218-Q353 HydrophobicContact CD2-CG 4.04Å
219Q94.9Very high95.7Very high177 Ų17741.8 Ų41.883%0.82725%0.248SC*.THydrogen-bonded Turntrans54.441.8-179.3-54.5178.922.200113.5C215 D216 G217 G221C215-Q219 PolarHBondContact O-N 3.28Å; C215-Q219 VanDerWaalsContact O-N 3.09Å; D216-Q219 PolarHBondContact O-N 2.83Å; G217-Q219 VanDerWaalsContact C-N 3.35Å; Q219-G221 PolarHBondContact O-N 3.14Å
220L94.5Very high95.8Very high61 Ų6147.2 Ų47.232%0.31927%0.269SS..  trans-75.9-2.8-175.2-59.1177.6000114.8C215 L218 T224 I356C215-L220 PolarHBondContact O-N 2.92Å; C215-L220 VanDerWaalsContact O-N 3.13Å; L218-L220 VanDerWaalsContact C-N 3.31Å; L218-L220 HydrophobicContact CB-CD1 4.19Å; L218-L220 HydrophobicContact CB-CD2 3.99Å; L218-L220 HydrophobicContact CB-CG 3.72Å; L218-L220 HydrophobicContact CD1-CD1 4.19Å; L218-L220 PolarHBondContact O-N 3.11Å; L220-T224 HydrophobicContact CB-CG2 3.75Å; L220-T224 HydrophobicContact CD1-CG2 3.92Å; L220-T224 HydrophobicContact CG-CG2 4.47Å; L220-T224 WeakPolarHBondContact O-CB 3.31Å; L220-T224 PolarHBondContact O-OG1 3.27Å; L220-I356 HydrophobicContact CD1-CD1 3.86Å; L220-I356 HydrophobicContact CD1-CG1 3.68Å
221G94.7Very high95.9Very high44 Ų4447.4 Ų47.445%0.45427%0.27SS..  trans80.2166.2-179.500000115.1Q219 N223 T224 K225Q219-G221 PolarHBondContact O-N 3.14Å; G221-N223 PolarHBondContact O-N 2.65Å; G221-T224 PolarHBondContact O-N 3.34Å; G221-K225 PolarHBondContact O-N 2.85Å; G221-K225 VanDerWaalsContact O-N 3.16Å
222D95.2Very high95.9Very high139 Ų13947.4 Ų47.474%0.74327%0.27SS*.Hα-helixtrans-66.4-37.4-169.6-63.9-30.1000113.5T224 K225 A226D222-T224 VanDerWaalsContact C-N 3.3Å; D222-T224 PolarHBondContact O-N 3.03Å; D222-K225 PolarHBondContact O-N 3.05Å; D222-A226 VanDerWaalsContact O-CB 3.28Å; D222-A226 WeakPolarHBondContact O-CB 3.37Å; D222-A226 PolarHBondContact O-N 3.48Å
223N97.3Very high96Very high145 Ų14548.8 Ų48.878%0.77528%0.276SS*.Hα-helixtrans-59.6-43.4177.2-73-9.2000111.5G221 A227G221-N223 PolarHBondContact O-N 2.65Å; N223-A227 WeakPolarHBondContact O-CB 3.47Å; N223-A227 PolarHBondContact O-N 3.41Å
224T97.3Very high96.1Very high43 Ų4352.1 Ų52.126%0.26429%0.289SS..Hα-helixtrans-66.5-47.5179.2-52.10000110.5L220 G221 D222 A226 A227 V228 I356L220-T224 HydrophobicContact CB-CG2 3.75Å; L220-T224 HydrophobicContact CD1-CG2 3.92Å; L220-T224 HydrophobicContact CG-CG2 4.47Å; L220-T224 WeakPolarHBondContact O-CB 3.31Å; L220-T224 PolarHBondContact O-OG1 3.27Å; G221-T224 PolarHBondContact O-N 3.34Å; D222-T224 VanDerWaalsContact C-N 3.3Å; D222-T224 PolarHBondContact O-N 3.03Å; T224-A226 VanDerWaalsContact C-N 3.34Å; T224-A226 PolarHBondContact O-N 3.43Å; T224-A227 PolarHBondContact O-N 3.11Å; T224-V228 WeakPolarHBondContact O-CG2 3.36Å; T224-V228 PolarHBondContact O-N 3.06Å; T224-I356 HydrophobicContact CG2-CD1 3.44Å; T224-I356 VanDerWaalsContact CG2-CD1 3.44Å; T224-I356 HydrophobicContact CG2-CG1 4.11Å
225K96.2Very high96.2Very high32 Ų3252.1 Ų52.114%0.13929%0.289CS..Hα-helixtrans-60.5-43.6178.2-170.1179.3-175.3173.50111.5C215 D216 G221 D222 A227 V228 I229C215-K225 HydrophobicContact CB-CB 4.12Å; C215-K225 HydrophobicContact CB-CG 4.22Å; D216-K225 WeakPolarHBondContact OD1-CD 3.38Å; D216-K225 VanDerWaalsContact OD1-CE 3.28Å; D216-K225 WeakPolarHBondContact OD1-CE 3.22Å; D216-K225 IonicContact OD1-NZ 3.39Å; D216-K225 PolarHBondContact OD1-NZ 2.84Å; D216-K225 IonicContact OD2-NZ 3.81Å; D216-K225 PolarHBondContact OD2-NZ 2.97Å; G221-K225 PolarHBondContact O-N 2.85Å; G221-K225 VanDerWaalsContact O-N 3.16Å; D222-K225 PolarHBondContact O-N 3.05Å; K225-A227 PolarHBondContact O-N 3.3Å; K225-V228 PolarHBondContact O-N 2.82Å; K225-I229 HydrophobicContact CG-CD1 3.92Å; K225-I229 WeakPolarHBondContact O-CD1 3.44Å; K225-I229 VanDerWaalsContact O-CG1 3.24Å; K225-I229 WeakPolarHBondContact O-CG1 3.36Å; K225-I229 PolarHBondContact O-N 3.48Å
226A96.8Very high96.3Very high58 Ų5852.2 Ų52.248%0.47929%0.289SS..Hα-helixtrans-61.4-42.6176.600000112.2D222 T224 I229 R230D222-A226 VanDerWaalsContact O-CB 3.28Å; D222-A226 WeakPolarHBondContact O-CB 3.37Å; D222-A226 PolarHBondContact O-N 3.48Å; T224-A226 VanDerWaalsContact C-N 3.34Å; T224-A226 PolarHBondContact O-N 3.43Å; A226-I229 PolarHBondContact O-N 3.03Å; A226-R230 WeakPolarHBondContact O-CB 3.43Å; A226-R230 PolarHBondContact O-N 3.48Å
227A97.8Very high96.4Very high46 Ų4650.9 Ų50.938%0.3828%0.284SS..Hα-helixtrans-63-43.8175.800000112N223 T224 K225 R230 I231N223-A227 WeakPolarHBondContact O-CB 3.47Å; N223-A227 PolarHBondContact O-N 3.41Å; T224-A227 PolarHBondContact O-N 3.11Å; K225-A227 PolarHBondContact O-N 3.3Å; A227-R230 PolarHBondContact O-N 3.33Å; A227-I231 WeakPolarHBondContact O-CB 3.23Å; A227-I231 VanDerWaalsContact O-CG1 3.27Å; A227-I231 WeakPolarHBondContact O-CG1 3.38Å; A227-I231 PolarHBondContact O-N 3.33Å
228V98.1Very high96.6Very high2 Ų252.5 Ų52.51%0.01228%0.284CS..Hα-helixtrans-61.6-43.9176169.10000111.5A211 T224 K225 I231 G232 L338 I356 L359A211-V228 HydrophobicContact CB-CG1 3.7Å; T224-V228 WeakPolarHBondContact O-CG2 3.36Å; T224-V228 PolarHBondContact O-N 3.06Å; K225-V228 PolarHBondContact O-N 2.82Å; V228-I231 PolarHBondContact O-N 2.78Å; V228-G232 PolarHBondContact O-N 2.85Å; V228-L338 HydrophobicContact CG1-CD1 3.84Å; V228-L338 WeakPolarHBondContact O-CD1 3.36Å; V228-I356 HydrophobicContact CG2-CD1 4.1Å; V228-L359 HydrophobicContact CG2-CD1 3.72Å
229I96.7Very high96.8Very high19 Ų1950.8 Ų50.810%0.09728%0.275CS..Hα-helixtrans-61.2-48.5176.8-70.8162.8000110.8A212 K225 A226 I231 G232 F233 L263 F264 M267A212-I229 HydrophobicContact CB-CG1 4.45Å; K225-I229 HydrophobicContact CG-CD1 3.92Å; K225-I229 WeakPolarHBondContact O-CD1 3.44Å; K225-I229 VanDerWaalsContact O-CG1 3.24Å; K225-I229 WeakPolarHBondContact O-CG1 3.36Å; K225-I229 PolarHBondContact O-N 3.48Å; A226-I229 PolarHBondContact O-N 3.03Å; I229-I231 VanDerWaalsContact C-N 3.34Å; I229-I231 PolarHBondContact O-N 3.2Å; I229-G232 WeakPolarHBondContact O-CA 3.37Å; I229-G232 PolarHBondContact O-N 3.48Å; I229-G232 VanDerWaalsContact O-N 3.12Å; I229-F233 HydrophobicContact CG2-CD2 3.89Å; I229-F233 HydrophobicContact CG2-CE2 3.43Å; I229-F233 VanDerWaalsContact CG2-CE2 3.43Å; I229-F233 HydrophobicContact CG2-CZ 4.2Å; I229-F233 WeakPolarHBondContact O-CD2 3.18Å; I229-F233 PolarHBondContact O-N 2.89Å; I229-L263 HydrophobicContact CG2-CD2 3.94Å; I229-F264 HydrophobicContact CG2-CE2 4.39Å; I229-M267 HydrophobicContact CD1-CE 3.49Å; I229-M267 VanDerWaalsContact CD1-CE 3.49Å; I229-M267 HydrophobicContact CD1-SD 3.49Å; I229-M267 WeakPolarHBondContact CD1-SD 3.47Å; I229-M267 HydrophobicContact CG1-CE 3.9Å; I229-M267 HydrophobicContact CG1-SD 3.68Å; I229-M267 HydrophobicContact CG2-CE 4.3Å
230R96.9Very high96.9Very high114 Ų11442.4 Ų42.443%0.4324%0.236SC..Hα-helixtrans-60-43.7178.9-172.4-159.370.284.13.6111.9A226 A227 G232 F233 W234 H365A226-R230 WeakPolarHBondContact O-CB 3.43Å; A226-R230 PolarHBondContact O-N 3.48Å; A227-R230 PolarHBondContact O-N 3.33Å; R230-G232 VanDerWaalsContact C-N 3.34Å; R230-F233 PolarHBondContact O-N 2.71Å; R230-W234 PolarHBondContact O-N 3.23Å; R230-H365 PolarHBondContact NH2-CE1 3.02Å; R230-H365 VanDerWaalsContact NH2-CE1 3.32Å
231I97.9Very high96.9Very high5 Ų543.6 Ų43.63%0.02624%0.243CC..Hα-helixtrans-61.6-44.4174.3-72.9169.2000110.4A227 V228 I229 F233 W234 E235 L338 L359 H362 I364A227-I231 WeakPolarHBondContact O-CB 3.23Å; A227-I231 VanDerWaalsContact O-CG1 3.27Å; A227-I231 WeakPolarHBondContact O-CG1 3.38Å; A227-I231 PolarHBondContact O-N 3.33Å; V228-I231 PolarHBondContact O-N 2.78Å; I229-I231 VanDerWaalsContact C-N 3.34Å; I229-I231 PolarHBondContact O-N 3.2Å; I231-F233 VanDerWaalsContact C-N 3.34Å; I231-F233 PolarHBondContact O-N 3.49Å; I231-W234 WeakPolarHBondContact O-CB 3.45Å; I231-W234 PolarHBondContact O-N 2.77Å; I231-W234 VanDerWaalsContact O-N 3.1Å; I231-E235 PolarHBondContact O-N 3.33Å; I231-L338 HydrophobicContact CB-CD1 4.28Å; I231-L338 HydrophobicContact CG2-CB 4.12Å; I231-L338 HydrophobicContact CG2-CD1 3.85Å; I231-L359 HydrophobicContact CD1-CB 4.27Å; I231-L359 HydrophobicContact CD1-CD1 4.38Å; I231-L359 HydrophobicContact CG2-CD2 4.26Å; I231-H362 WeakPolarHBondContact CG2-CD2 3.26Å; I231-H362 WeakPolarHBondContact CG2-NE2 3.44Å; I231-I364 HydrophobicContact CG1-CG2 4.3Å
232G97.7Very high97Very high0 Ų043 Ų430%023%0.228CC..Hα-helixtrans-57.5-44.2177.500000112.7V228 I229 R230 W234 E235 V236V228-G232 PolarHBondContact O-N 2.85Å; I229-G232 WeakPolarHBondContact O-CA 3.37Å; I229-G232 PolarHBondContact O-N 3.48Å; I229-G232 VanDerWaalsContact O-N 3.12Å; R230-G232 VanDerWaalsContact C-N 3.34Å; G232-W234 VanDerWaalsContact C-N 3.32Å; G232-W234 PolarHBondContact O-N 2.73Å; G232-E235 PolarHBondContact O-N 3.23Å; G232-V236 WeakPolarHBondContact O-CB 3.49Å; G232-V236 WeakPolarHBondContact O-CG2 3.49Å; G232-V236 PolarHBondContact O-N 2.88Å
233F97.1Very high97.1Very high29 Ų2937.3 Ų37.313%0.12720%0.198CC..Hα-helixtrans-60.2-41.1174.3-76.3-49.5000113.2I229 R230 I231 V236 S237 I254 I260 L263 F264I229-F233 HydrophobicContact CG2-CD2 3.89Å; I229-F233 HydrophobicContact CG2-CE2 3.43Å; I229-F233 VanDerWaalsContact CG2-CE2 3.43Å; I229-F233 HydrophobicContact CG2-CZ 4.2Å; I229-F233 WeakPolarHBondContact O-CD2 3.18Å; I229-F233 PolarHBondContact O-N 2.89Å; R230-F233 PolarHBondContact O-N 2.71Å; I231-F233 VanDerWaalsContact C-N 3.34Å; I231-F233 PolarHBondContact O-N 3.49Å; F233-V236 PolarHBondContact O-N 3.43Å; F233-S237 PolarHBondContact O-N 2.9Å; F233-I254 HydrophobicContact CB-CG2 3.91Å; F233-I254 HydrophobicContact CD1-CG2 3.57Å; F233-I254 HydrophobicContact CE1-CG2 4.32Å; F233-I254 HydrophobicContact CG-CG2 3.89Å; F233-I260 HydrophobicContact CE1-CB 4.26Å; F233-I260 HydrophobicContact CE1-CG1 4.48Å; F233-I260 HydrophobicContact CE2-CB 4.5Å; F233-I260 HydrophobicContact CE2-CD1 4.36Å; F233-I260 HydrophobicContact CE2-CG1 3.92Å; F233-I260 VanDerWaalsContact CZ-CA 3.5Å; F233-I260 HydrophobicContact CZ-CB 3.92Å; F233-I260 HydrophobicContact CZ-CG1 3.66Å; F233-L263 HydrophobicContact CD1-CD2 4.12Å; F233-L263 HydrophobicContact CE1-CB 3.75Å; F233-L263 HydrophobicContact CE1-CD2 3.45Å; F233-L263 VanDerWaalsContact CE1-CD2 3.45Å; F233-L263 HydrophobicContact CE1-CG 4.22Å; F233-L263 HydrophobicContact CE2-CD2 3.94Å; F233-L263 HydrophobicContact CZ-CB 3.78Å; F233-L263 HydrophobicContact CZ-CD2 3.35Å; F233-L263 HydrophobicContact CZ-CG 4.09Å; F233-F264 HydrophobicContact CE2-CE2 4.15Å; F233-F264 HydrophobicContact CZ-CD2 4.35Å; F233-F264 HydrophobicContact CZ-CE2 4.29Å
234W96.7Very high97.1Very high69 Ų6931.6 Ų31.626%0.26117%0.166SC..Hα-helixtrans-65.7-46.6176.9-175.392.6000111.6R230 I231 G232 V236 S237 E238 H335 H362 P363 I364R230-W234 PolarHBondContact O-N 3.23Å; I231-W234 WeakPolarHBondContact O-CB 3.45Å; I231-W234 PolarHBondContact O-N 2.77Å; I231-W234 VanDerWaalsContact O-N 3.1Å; G232-W234 VanDerWaalsContact C-N 3.32Å; G232-W234 PolarHBondContact O-N 2.73Å; W234-V236 VanDerWaalsContact C-N 3.29Å; W234-V236 PolarHBondContact O-N 2.98Å; W234-S237 WeakPolarHBondContact O-CB 3.44Å; W234-S237 PolarHBondContact O-N 3.17Å; W234-S237 VanDerWaalsContact O-N 3.14Å; W234-E238 HydrophobicContact CD2-CG 3.79Å; W234-E238 HydrophobicContact CE3-CG 3.73Å; W234-E238 HydrophobicContact CH2-CG 3.67Å; W234-E238 HydrophobicContact CZ2-CG 3.7Å; W234-E238 HydrophobicContact CZ3-CB 4.38Å; W234-E238 HydrophobicContact CZ3-CG 3.64Å; W234-E238 WeakPolarHBondContact O-CG 3.44Å; W234-E238 PolarHBondContact O-N 2.99Å; W234-H335 AromaticContact CH2-CE1 3.71Å; W234-H335 AromaticContact CH2-NE2 3.39Å; W234-H335 WeakPolarHBondContact CH2-NE2 3.24Å; W234-H362 AromaticContact CE3-CE1 3.46Å; W234-H362 VanDerWaalsContact CE3-CE1 3.46Å; W234-H362 AromaticContact CZ3-CE1 3.38Å; W234-H362 WeakPolarHBondContact CZ3-CE1 3.35Å; W234-P363 HydrophobicContact CH2-CB 4.38Å; W234-I364 HydrophobicContact CB-CD1 3.41Å; W234-I364 VanDerWaalsContact CB-CD1 3.41Å; W234-I364 HydrophobicContact CD2-CB 4.36Å; W234-I364 HydrophobicContact CD2-CD1 3.69Å; W234-I364 HydrophobicContact CD2-CG1 4.12Å; W234-I364 HydrophobicContact CE3-CD1 4.46Å; W234-I364 HydrophobicContact CG-CD1 3.19Å; W234-I364 HydrophobicContact CG-CG1 4.02Å
235E97.9Very high97Very high0 Ų032.9 Ų32.90%018%0.175CC..Hα-helixtrans-63-36.2176.7-76-165.5-158.300112.1I231 G232 E238 L239 F336 P337 L338 F339 H362I231-E235 PolarHBondContact O-N 3.33Å; G232-E235 PolarHBondContact O-N 3.23Å; E235-E238 PolarHBondContact O-N 2.97Å; E235-L239 VanDerWaalsContact O-CB 3.25Å; E235-L239 WeakPolarHBondContact O-CB 3.39Å; E235-L239 VanDerWaalsContact O-CG 3.26Å; E235-L239 WeakPolarHBondContact O-CG 3.47Å; E235-L239 PolarHBondContact O-N 2.93Å; E235-F336 HydrophobicContact CB-CD1 4.11Å; E235-F336 VanDerWaalsContact CD-CA 3.45Å; E235-F336 HydrophobicContact CG-CD1 4.14Å; E235-F336 VanDerWaalsContact OE1-C 3.23Å; E235-F336 VanDerWaalsContact OE2-C 3.31Å; E235-F336 WeakPolarHBondContact OE2-CA 2.98Å; E235-P337 WeakPolarHBondContact OE1-CD 3.45Å; E235-P337 VanDerWaalsContact OE1-N 3.13Å; E235-L338 VanDerWaalsContact CD-CB 3.49Å; E235-L338 WeakPolarHBondContact OE1-CA 3.34Å; E235-L338 WeakPolarHBondContact OE1-CB 3.47Å; E235-L338 PolarHBondContact OE1-N 3.16Å; E235-L338 PolarHBondContact OE2-N 3.15Å; E235-F339 HydrophobicContact CB-CD2 3.92Å; E235-F339 HydrophobicContact CB-CE2 3.98Å; E235-F339 WeakPolarHBondContact OE2-CD2 3.48Å; E235-F339 PolarHBondContact OE2-N 3.3Å; E235-H362 IonicContact OE1-CD2 2.91Å; E235-H362 IonicContact OE1-NE2 3.88Å; E235-H362 PolarHBondContact OE1-NE2 2.76Å
236V97.7Very high96.9Very high6 Ų638.8 Ų38.84%0.03621%0.208CC..Hα-helixtrans-61-46.9172.9171.40000110.5L204 V208 G232 F233 W234 L239 M240 I254 F339L204-V236 HydrophobicContact CB-CG1 4.19Å; L204-V236 HydrophobicContact CB-CG2 3.88Å; L204-V236 HydrophobicContact CD1-CG1 4.22Å; V208-V236 HydrophobicContact CG2-CG2 3.91Å; G232-V236 WeakPolarHBondContact O-CB 3.49Å; G232-V236 WeakPolarHBondContact O-CG2 3.49Å; G232-V236 PolarHBondContact O-N 2.88Å; F233-V236 PolarHBondContact O-N 3.43Å; W234-V236 VanDerWaalsContact C-N 3.29Å; W234-V236 PolarHBondContact O-N 2.98Å; V236-L239 PolarHBondContact O-N 3.32Å; V236-M240 HydrophobicContact CG1-CE 3.98Å; V236-M240 WeakPolarHBondContact O-CG 3.36Å; V236-M240 PolarHBondContact O-N 2.88Å; V236-I254 HydrophobicContact CB-CD1 4.14Å; V236-I254 HydrophobicContact CG1-CD1 3.64Å; V236-F339 HydrophobicContact CG2-CE2 4.03Å; V236-F339 HydrophobicContact CG2-CZ 3.79Å
237S96.2Very high96.8Very high19 Ų1939.6 Ų39.613%0.13320%0.199CC..Hα-helixtrans-59.1-47.7176-178.40000112.1F233 W234 L239 M240 Y251F233-S237 PolarHBondContact O-N 2.9Å; W234-S237 WeakPolarHBondContact O-CB 3.44Å; W234-S237 PolarHBondContact O-N 3.17Å; W234-S237 VanDerWaalsContact O-N 3.14Å; S237-L239 VanDerWaalsContact C-N 3.3Å; S237-L239 PolarHBondContact O-N 2.77Å; S237-M240 WeakPolarHBondContact O-CB 3.33Å; S237-M240 PolarHBondContact O-N 3.2Å; S237-M240 VanDerWaalsContact O-N 3.16Å; S237-Y251 WeakPolarHBondContact OG-CB 3.02Å
238E97.1Very high96.6Very high59 Ų5940.1 Ų40.128%0.27621%0.208SC..Hα-helixtrans-64.4-36.5178.3-69-67.7102.800111.5W234 E235 M240 N241 E242 H335 F336W234-E238 HydrophobicContact CD2-CG 3.79Å; W234-E238 HydrophobicContact CE3-CG 3.73Å; W234-E238 HydrophobicContact CH2-CG 3.67Å; W234-E238 HydrophobicContact CZ2-CG 3.7Å; W234-E238 HydrophobicContact CZ3-CB 4.38Å; W234-E238 HydrophobicContact CZ3-CG 3.64Å; W234-E238 WeakPolarHBondContact O-CG 3.44Å; W234-E238 PolarHBondContact O-N 2.99Å; E235-E238 PolarHBondContact O-N 2.97Å; E238-M240 VanDerWaalsContact C-N 3.3Å; E238-M240 PolarHBondContact O-N 3.25Å; E238-N241 PolarHBondContact O-N 3.07Å; E238-E242 VanDerWaalsContact O-CB 3.28Å; E238-E242 WeakPolarHBondContact O-CB 3.38Å; E238-E242 PolarHBondContact O-N 3.48Å; E238-H335 IonicContact OE2-CD2 3.81Å; E238-H335 IonicContact OE2-CE1 3.71Å; E238-H335 IonicContact OE2-NE2 2.8Å; E238-H335 PolarHBondContact OE2-NE2 3.43Å; E238-F336 HydrophobicContact CB-CE1 3.52Å; E238-F336 HydrophobicContact CB-CZ 3.98Å
239L97.6Very high96.5Very high0 Ų041.4 Ų41.40%022%0.216CC..Hα-helixtrans-65.5-31.6174.9-82.5173000112.3L204 E235 V236 S237 E242 L243 I323 L327 F336 F339L204-L239 HydrophobicContact CD1-CB 3.97Å; L204-L239 HydrophobicContact CD1-CD1 4.08Å; E235-L239 VanDerWaalsContact O-CB 3.25Å; E235-L239 WeakPolarHBondContact O-CB 3.39Å; E235-L239 VanDerWaalsContact O-CG 3.26Å; E235-L239 WeakPolarHBondContact O-CG 3.47Å; E235-L239 PolarHBondContact O-N 2.93Å; V236-L239 PolarHBondContact O-N 3.32Å; S237-L239 VanDerWaalsContact C-N 3.3Å; S237-L239 PolarHBondContact O-N 2.77Å; L239-E242 PolarHBondContact O-N 3.23Å; L239-L243 HydrophobicContact CD2-CG 4.44Å; L239-L243 VanDerWaalsContact O-CB 3.24Å; L239-L243 WeakPolarHBondContact O-CB 3.47Å; L239-L243 VanDerWaalsContact O-CG 3.24Å; L239-L243 WeakPolarHBondContact O-CG 3.39Å; L239-L243 PolarHBondContact O-N 3.06Å; L239-I323 HydrophobicContact CD1-CD1 4.46Å; L239-I323 HydrophobicContact CD1-CG2 4.1Å; L239-I323 HydrophobicContact CD2-CG2 3.85Å; L239-L327 HydrophobicContact CD2-CD1 4.38Å; L239-L327 HydrophobicContact CD2-CD2 4.12Å; L239-F336 HydrophobicContact CB-CE1 4.29Å; L239-F336 HydrophobicContact CD1-CD1 4.46Å; L239-F336 HydrophobicContact CD2-CD1 3.99Å; L239-F336 HydrophobicContact CD2-CE1 3.75Å; L239-F336 HydrophobicContact CD2-CG 4.46Å; L239-F336 HydrophobicContact CD2-CZ 4.04Å; L239-F336 HydrophobicContact CG-CD1 3.75Å; L239-F336 HydrophobicContact CG-CE1 3.53Å; L239-F336 HydrophobicContact CG-CZ 4.26Å; L239-F339 HydrophobicContact CD1-CD1 3.56Å; L239-F339 HydrophobicContact CD1-CD2 4.12Å; L239-F339 HydrophobicContact CD1-CE1 3.44Å; L239-F339 VanDerWaalsContact CD1-CE1 3.44Å; L239-F339 HydrophobicContact CD1-CE2 3.99Å; L239-F339 HydrophobicContact CD1-CG 3.92Å; L239-F339 HydrophobicContact CD1-CZ 3.66Å
240M97.1Very high96.5Very high1 Ų143.8 Ų43.81%0.00523%0.229CC..Hα-helixtrans-59.4-49.2174.6-62.4177-175.500111.3G197 L200 C201 V236 S237 E238 F244 T249 I254G197-M240 VanDerWaalsContact CA-SD 3.57Å; G197-M240 WeakPolarHBondContact O-CE 3.26Å; L200-M240 HydrophobicContact CB-CE 4.5Å; L200-M240 HydrophobicContact CB-CG 4.08Å; L200-M240 HydrophobicContact CD1-CB 3.95Å; L200-M240 HydrophobicContact CD1-CG 3.77Å; C201-M240 WeakPolarHBondContact SG-CE 3.39Å; V236-M240 HydrophobicContact CG1-CE 3.98Å; V236-M240 WeakPolarHBondContact O-CG 3.36Å; V236-M240 PolarHBondContact O-N 2.88Å; S237-M240 WeakPolarHBondContact O-CB 3.33Å; S237-M240 PolarHBondContact O-N 3.2Å; S237-M240 VanDerWaalsContact O-N 3.16Å; E238-M240 VanDerWaalsContact C-N 3.3Å; E238-M240 PolarHBondContact O-N 3.25Å; M240-F244 WeakPolarHBondContact O-CB 3.44Å; M240-F244 PolarHBondContact O-N 3.48Å; M240-T249 HydrophobicContact CB-CG2 3.82Å; M240-I254 HydrophobicContact CE-CD1 3.5Å; M240-I254 VanDerWaalsContact CE-CD1 3.5Å; M240-I254 HydrophobicContact CE-CG1 4.22Å
241N95.6Very high96.4Very high85 Ų8545 Ų4546%0.45524%0.235SC..Hα-helixtrans-72.5-37.2178.4-174.561.3000112E238 F244 P245E238-N241 PolarHBondContact O-N 3.07Å; N241-F244 CarbonylContact O-C 3.54Å; N241-P245 WeakPolarHBondContact O-CA 3.12Å; N241-P245 VanDerWaalsContact O-CB 3.31Å; N241-P245 WeakPolarHBondContact O-CB 3.47Å; N241-P245 VanDerWaalsContact O-CD 3.27Å; N241-P245 WeakPolarHBondContact O-CD 3.48Å
242E96.8Very high96.4Very high32 Ų3248 Ų4815%0.1525%0.251CS..Hα-helixtrans-62.6-51.1176.5-179.865.1-129.300110.7E238 L239 L327 R330 R332 F336E238-E242 VanDerWaalsContact O-CB 3.28Å; E238-E242 WeakPolarHBondContact O-CB 3.38Å; E238-E242 PolarHBondContact O-N 3.48Å; L239-E242 PolarHBondContact O-N 3.23Å; E242-L327 HydrophobicContact CG-CD2 4Å; E242-R330 PolarHBondContact O-NH1 2.86Å; E242-R330 WeakPolarHBondContact OE1-CD 3.36Å; E242-R330 IonicContact OE1-CZ 3.31Å; E242-R330 IonicContact OE1-NE 2.92Å; E242-R330 IonicContact OE1-NH1 2.83Å; E242-R330 PolarHBondContact OE1-NH1 2.78Å; E242-R332 IonicContact OE2-CZ 3.82Å; E242-R332 IonicContact OE2-NE 2.95Å; E242-R332 PolarHBondContact OE2-NE 2.89Å; E242-R332 IonicContact OE2-NH2 3.82Å; E242-F336 HydrophobicContact CB-CE2 4.5Å; E242-F336 HydrophobicContact CB-CZ 3.94Å; E242-F336 HydrophobicContact CG-CE2 4.11Å; E242-F336 HydrophobicContact CG-CZ 4.04Å
243L97Very high96.3Very high20 Ų2048 Ų4811%0.10525%0.251CS..Hα-helixtrans-73.4-31.2-177.4-63176000112.8I130 L200 L239 I326I130-L243 HydrophobicContact CD1-CD1 4.46Å; L200-L243 HydrophobicContact CD2-CD1 4.49Å; L239-L243 HydrophobicContact CD2-CG 4.44Å; L239-L243 VanDerWaalsContact O-CB 3.24Å; L239-L243 WeakPolarHBondContact O-CB 3.47Å; L239-L243 VanDerWaalsContact O-CG 3.24Å; L239-L243 WeakPolarHBondContact O-CG 3.39Å; L239-L243 PolarHBondContact O-N 3.06Å; L243-I326 HydrophobicContact CD2-CD1 4.11Å; L243-I326 HydrophobicContact CD2-CG2 3.85Å
244F96.8Very high96.3Very high24 Ų2447.5 Ų47.511%0.10525%0.249CC..  trans-139.561.2-172.9-62.2-87.1000113.2L132 V196 L200 M240 N241 D246 R247L132-F244 HydrophobicContact CD1-CE1 4.13Å; L132-F244 HydrophobicContact CD1-CZ 4.26Å; L132-F244 HydrophobicContact CD2-CE1 4.4Å; L132-F244 HydrophobicContact CD2-CE2 3.93Å; L132-F244 HydrophobicContact CD2-CZ 3.7Å; L132-F244 HydrophobicContact CG-CE1 3.89Å; L132-F244 HydrophobicContact CG-CE2 4.32Å; L132-F244 HydrophobicContact CG-CZ 3.65Å; V196-F244 HydrophobicContact CG1-CB 3.83Å; V196-F244 HydrophobicContact CG1-CD1 4.4Å; V196-F244 HydrophobicContact CG1-CD2 3.83Å; V196-F244 HydrophobicContact CG1-CG 3.76Å; L200-F244 HydrophobicContact CD1-CD2 3.72Å; L200-F244 HydrophobicContact CD1-CE2 4Å; L200-F244 HydrophobicContact CD2-CE2 4.04Å; L200-F244 HydrophobicContact CG-CE2 4.45Å; M240-F244 WeakPolarHBondContact O-CB 3.44Å; M240-F244 PolarHBondContact O-N 3.48Å; N241-F244 CarbonylContact O-C 3.54Å; F244-D246 VanDerWaalsContact C-N 3.3Å; F244-D246 PolarHBondContact O-N 2.58Å; F244-R247 HydrophobicContact CB-CB 3.99Å; F244-R247 HydrophobicContact CB-CG 3.76Å; F244-R247 HydrophobicContact CD1-CG 4.15Å; F244-R247 HydrophobicContact CG-CG 4.41Å; F244-R247 PolarHBondContact O-N 2.79Å
245P94.6Very high96.3Very high71 Ų7150.4 Ų50.446%0.46127%0.265SS..G310 helixtrans-60.3-34.9-169.422-33.4000114N241 R247N241-P245 WeakPolarHBondContact O-CA 3.12Å; N241-P245 VanDerWaalsContact O-CB 3.31Å; N241-P245 WeakPolarHBondContact O-CB 3.47Å; N241-P245 VanDerWaalsContact O-CD 3.27Å; N241-P245 WeakPolarHBondContact O-CD 3.48Å; P245-R247 PolarHBondContact O-N 2.97Å
246D94.4Very high96.2Very high156 Ų15652.3 Ų52.383%0.83427%0.274SS*.G310 helixtrans-95.815.7-174.8-55.3-52.2000113.6F244F244-D246 VanDerWaalsContact C-N 3.3Å; F244-D246 PolarHBondContact O-N 2.58Å
247R96Very high96.2Very high75 Ų7552.7 Ų52.728%0.28328%0.277SS..G310 helixtrans-102.51.5-173.5-60.9-65.5-68.4-87-3.2114.7D135 K170 V196 F244 P245D135-R247 IonicContact OD1-CZ 3.85Å; D135-R247 IonicContact OD1-NH1 3.49Å; D135-R247 IonicContact OD1-NH2 3.21Å; D135-R247 PolarHBondContact OD1-NH2 3.25Å; D135-R247 IonicContact OD2-CZ 3.5Å; D135-R247 IonicContact OD2-NH1 2.93Å; D135-R247 PolarHBondContact OD2-NH1 3.29Å; D135-R247 IonicContact OD2-NH2 2.93Å; D135-R247 PolarHBondContact OD2-NH2 3.12Å; K170-R247 PolarHBondContact NZ-O 2.76Å; V196-R247 HydrophobicContact CB-CB 4.43Å; V196-R247 HydrophobicContact CG2-CB 3.77Å; V196-R247 HydrophobicContact CG2-CG 4.31Å; F244-R247 HydrophobicContact CB-CB 3.99Å; F244-R247 HydrophobicContact CB-CG 3.76Å; F244-R247 HydrophobicContact CD1-CG 4.15Å; F244-R247 HydrophobicContact CG-CG 4.41Å; F244-R247 PolarHBondContact O-N 2.79Å; P245-R247 PolarHBondContact O-N 2.97Å
248G93.1Very high96.2Very high56 Ų5651.8 Ų51.858%0.57727%0.271SS*.  trans67.841.6176.900000112.5
249T96.6Very high96.2Very high30 Ų3049.1 Ų49.118%0.18426%0.26CS..  trans-65.8146.1174.651.30000110.2D194 V196 M240D194-T249 WeakPolarHBondContact OD1-CA 3.21Å; V196-T249 HydrophobicContact CB-CG2 3.85Å; V196-T249 HydrophobicContact CG1-CG2 3.58Å; M240-T249 HydrophobicContact CB-CG2 3.82Å
250N95.8Very high96Very high68 Ų6852.6 Ų52.636%0.36428%0.278SS..  trans-130.2125.3-175.2-172.7-17.4000110.3D194 L252 T253D194-N250 HydrophobicContact CB-CB 4.44Å; D194-N250 PolarHBondContact OD2-N 3.18Å; N250-L252 PolarHBondContact O-N 3.06Å; N250-L252 VanDerWaalsContact O-N 3.12Å; N250-L252 WeakPolarHBondContact OD1-CB 3.46Å; N250-L252 PolarHBondContact OD1-N 2.95Å; N250-T253 WeakPolarHBondContact O-CB 3.49Å; N250-T253 PolarHBondContact O-N 3.18Å; N250-T253 PolarHBondContact O-OG1 3.14Å; N250-T253 VanDerWaalsContact O-OG1 3.11Å
251Y95.3Very high95.9Very high140 Ų14054.3 Ų54.355%0.54929%0.291SS..G310 helixtrans-56.1-31.5178.592.1-92.1000112.5S237 T253 I254S237-Y251 WeakPolarHBondContact OG-CB 3.02Å; Y251-T253 PolarHBondContact O-N 3.36Å; Y251-T253 VanDerWaalsContact O-N 3.14Å; Y251-I254 VanDerWaalsContact O-CB 3.26Å; Y251-I254 WeakPolarHBondContact O-CB 2.93Å; Y251-I254 VanDerWaalsContact O-CG1 3.31Å; Y251-I254 WeakPolarHBondContact O-CG1 3.27Å; Y251-I254 PolarHBondContact O-N 3.19Å
252L96.6Very high95.7Very high68 Ų6850.3 Ų50.336%0.35627%0.27SS..G310 helixtrans-63.8-16.5177.4-69.9173.4000113.1N250 I254 E255N250-L252 PolarHBondContact O-N 3.06Å; N250-L252 VanDerWaalsContact O-N 3.12Å; N250-L252 WeakPolarHBondContact OD1-CB 3.46Å; N250-L252 PolarHBondContact OD1-N 2.95Å; L252-I254 PolarHBondContact O-N 3.4Å; L252-E255 PolarHBondContact O-N 2.9Å; L252-E255 VanDerWaalsContact O-N 3.13Å
253T97.3Very high95.5Very high0 Ų048.8 Ų48.80%026%0.263CS..G310 helixtrans-63.7-27.5172.7-57.50000111.5D194 V198 N250 Y251 E255 Q256D194-T253 WeakPolarHBondContact CB-OG1 3.49Å; D194-T253 WeakPolarHBondContact OD2-CB 3.11Å; D194-T253 PolarHBondContact OD2-OG1 2.89Å; V198-T253 HydrophobicContact CG2-CG2 3.94Å; N250-T253 WeakPolarHBondContact O-CB 3.49Å; N250-T253 PolarHBondContact O-N 3.18Å; N250-T253 PolarHBondContact O-OG1 3.14Å; N250-T253 VanDerWaalsContact O-OG1 3.11Å; Y251-T253 PolarHBondContact O-N 3.36Å; Y251-T253 VanDerWaalsContact O-N 3.14Å; T253-E255 PolarHBondContact O-N 2.81Å; T253-Q256 WeakPolarHBondContact O-CB 3.4Å; T253-Q256 PolarHBondContact O-N 3.14Å; T253-Q256 VanDerWaalsContact O-N 3.16Å
254I96.7Very high95.2Very high18 Ų1853 Ų539%0.09228%0.281CS..G310 helixtrans-61.9-32.5173.7-60.1-71.2000111.7F233 V236 M240 Y251 L252 Q256 G259 I260F233-I254 HydrophobicContact CB-CG2 3.91Å; F233-I254 HydrophobicContact CD1-CG2 3.57Å; F233-I254 HydrophobicContact CE1-CG2 4.32Å; F233-I254 HydrophobicContact CG-CG2 3.89Å; V236-I254 HydrophobicContact CB-CD1 4.14Å; V236-I254 HydrophobicContact CG1-CD1 3.64Å; M240-I254 HydrophobicContact CE-CD1 3.5Å; M240-I254 VanDerWaalsContact CE-CD1 3.5Å; M240-I254 HydrophobicContact CE-CG1 4.22Å; Y251-I254 VanDerWaalsContact O-CB 3.26Å; Y251-I254 WeakPolarHBondContact O-CB 2.93Å; Y251-I254 VanDerWaalsContact O-CG1 3.31Å; Y251-I254 WeakPolarHBondContact O-CG1 3.27Å; Y251-I254 PolarHBondContact O-N 3.19Å; L252-I254 PolarHBondContact O-N 3.4Å; I254-Q256 PolarHBondContact O-N 2.82Å; I254-G259 CarbonylContact O-C 3.58Å; I254-G259 WeakPolarHBondContact O-CA 3.23Å; I254-I260 WeakPolarHBondContact O-CB 3.15Å; I254-I260 PolarHBondContact O-N 3.46Å
255E96.2Very high94.8Very high130 Ų13054.6 Ų54.661%0.60729%0.289SS*.G310 helixtrans-76.3-9.1-179.7-60.8-177.7-18000112.9L252 T253L252-E255 PolarHBondContact O-N 2.9Å; L252-E255 VanDerWaalsContact O-N 3.13Å; T253-E255 PolarHBondContact O-N 2.81Å
256Q96.7Very high94.3Very high40 Ų4051.3 Ų51.319%0.18727%0.268CS..SBendtrans-85.3169.7179.1-56.4-175.934.900111.4T166 T253 I254 C258 G259 I260T166-Q256 HydrophobicContact CG2-CB 4.23Å; T253-Q256 WeakPolarHBondContact O-CB 3.4Å; T253-Q256 PolarHBondContact O-N 3.14Å; T253-Q256 VanDerWaalsContact O-N 3.16Å; I254-Q256 PolarHBondContact O-N 2.82Å; Q256-C258 PolarHBondContact O-N 2.85Å; Q256-C258 VanDerWaalsContact O-N 3.14Å; Q256-G259 PolarHBondContact O-N 2.9Å; Q256-I260 PolarHBondContact O-N 2.85Å
257S96.4Very high93.7Very high14 Ų1444.9 Ų44.910%0.09823%0.233CC..Iπ-helixtrans-56.2-34.6-177.8174.50000112.8G150 A151 E164 T166 G259 E262G150-S257 WeakPolarHBondContact CA-OG 3.4Å; A151-S257 PolarHBondContact N-OG 3.15Å; A151-S257 VanDerWaalsContact N-OG 3.12Å; E164-S257 WeakPolarHBondContact O-CB 2.95Å; E164-S257 PolarHBondContact O-OG 3.09Å; T166-S257 PolarHBondContact OG1-N 3.18Å; S257-G259 PolarHBondContact O-N 3.21Å; S257-E262 VanDerWaalsContact O-CB 3.32Å; S257-E262 WeakPolarHBondContact O-CB 2.91Å; S257-E262 PolarHBondContact O-N 3.11Å
258C96.7Very high92.8Very high0 Ų045 Ų450%025%0.245CC..Iπ-helixtrans-64.4-25.3177.759.30000114.1I149 T166 V198 C201 Q256 E262I149-C258 HydrophobicContact CB-CB 3.74Å; I149-C258 HydrophobicContact CG2-CB 3.73Å; T166-C258 PolarHBondContact OG1-N 3.11Å; V198-C258 HydrophobicContact CG1-CB 4.13Å; C201-C258 CarbonylContact C-O 3.6Å; C201-C258 HydrophobicContact CB-CB 4.24Å; C201-C258 WeakPolarHBondContact CB-O 3.38Å; Q256-C258 PolarHBondContact O-N 2.85Å; Q256-C258 VanDerWaalsContact O-N 3.14Å; C258-E262 WeakPolarHBondContact O-CB 3.2Å
259G96Very high91.6Very high4 Ų444.5 Ų44.54%0.04123%0.228CC..Iπ-helixtrans-95.9-90-179.800000111.8I254 Q256 S257 E262 L263I254-G259 CarbonylContact O-C 3.58Å; I254-G259 WeakPolarHBondContact O-CA 3.23Å; Q256-G259 PolarHBondContact O-N 2.9Å; S257-G259 PolarHBondContact O-N 3.21Å; G259-E262 PolarHBondContact O-N 3.48Å; G259-L263 PolarHBondContact O-N 3.11Å; G259-L263 VanDerWaalsContact O-N 3.13Å
260I95.1Very high89.7Confident73 Ų7352.2 Ų52.237%0.37426%0.259SS..Iπ-helixtrans-62.7-50.6-169.5-171.7166.5000112.6F233 I254 Q256 E262 L263 F264F233-I260 HydrophobicContact CE1-CB 4.26Å; F233-I260 HydrophobicContact CE1-CG1 4.48Å; F233-I260 HydrophobicContact CE2-CB 4.5Å; F233-I260 HydrophobicContact CE2-CD1 4.36Å; F233-I260 HydrophobicContact CE2-CG1 3.92Å; F233-I260 VanDerWaalsContact CZ-CA 3.5Å; F233-I260 HydrophobicContact CZ-CB 3.92Å; F233-I260 HydrophobicContact CZ-CG1 3.66Å; I254-I260 WeakPolarHBondContact O-CB 3.15Å; I254-I260 PolarHBondContact O-N 3.46Å; Q256-I260 PolarHBondContact O-N 2.85Å; I260-E262 VanDerWaalsContact C-N 3.32Å; I260-E262 PolarHBondContact O-N 2.79Å; I260-L263 PolarHBondContact O-N 3.15Å; I260-F264 HydrophobicContact CD1-CE2 4.22Å; I260-F264 HydrophobicContact CG1-CD2 3.87Å; I260-F264 HydrophobicContact CG1-CE2 3.75Å; I260-F264 VanDerWaalsContact O-CD2 3.23Å; I260-F264 WeakPolarHBondContact O-CD2 3.32Å; I260-F264 PolarHBondContact O-N 2.99Å; I260-F264 VanDerWaalsContact O-N 3.07Å
261A94Very high87.9Confident36 Ų3654 Ų5430%0.29827%0.268SS..Iπ-helixtrans-63.8-42.5-176.400000110.9A151 L263 F264 M265A151-A261 HydrophobicContact CB-CB 3.49Å; A151-A261 VanDerWaalsContact CB-CB 3.49Å; A261-L263 VanDerWaalsContact C-N 3.35Å; A261-L263 PolarHBondContact O-N 3.3Å; A261-F264 PolarHBondContact O-N 2.96Å; A261-F264 VanDerWaalsContact O-N 3.15Å; A261-M265 WeakPolarHBondContact O-CG 3.31Å; A261-M265 PolarHBondContact O-N 3.09Å
262E91.6Very high86.1Confident1 Ų151.6 Ų51.61%0.00527%0.265CS..Hα-helixtrans-61.3-41.9180-178.971165.600112K119 A151 K205 S257 C258 G259 I260 M265 C266K119-E262 WeakPolarHBondContact CD-OE1 3.49Å; K119-E262 WeakPolarHBondContact CE-OE1 3.25Å; K119-E262 IonicContact NZ-OE1 2.79Å; K119-E262 PolarHBondContact NZ-OE1 3.11Å; K119-E262 IonicContact NZ-OE2 3.06Å; K119-E262 PolarHBondContact NZ-OE2 3.44Å; A151-E262 WeakPolarHBondContact CA-OE2 3.43Å; A151-E262 PolarHBondContact N-OE2 3.1Å; K205-E262 HydrophobicContact CD-CB 4.48Å; K205-E262 HydrophobicContact CD-CG 3.3Å; K205-E262 WeakPolarHBondContact CE-OE1 3.35Å; K205-E262 IonicContact NZ-OE1 2.75Å; S257-E262 VanDerWaalsContact O-CB 3.32Å; S257-E262 WeakPolarHBondContact O-CB 2.91Å; S257-E262 PolarHBondContact O-N 3.11Å; C258-E262 WeakPolarHBondContact O-CB 3.2Å; G259-E262 PolarHBondContact O-N 3.48Å; I260-E262 VanDerWaalsContact C-N 3.32Å; I260-E262 PolarHBondContact O-N 2.79Å; E262-M265 PolarHBondContact O-N 2.79Å; E262-C266 PolarHBondContact O-N 3.29Å; E262-C266 PolarHBondContact O-SG 2.81Å
263L91.9Very high84.4Confident1 Ų151.7 Ų51.71%0.00527%0.265CS..Hα-helixtrans-64.9-43.1174.3-177.963.2000111.5K205 V208 A209 I229 F233 G259 I260 A261 M265 C266 M267K205-L263 HydrophobicContact CB-CD1 4.07Å; K205-L263 WeakPolarHBondContact O-CD1 3.45Å; V208-L263 HydrophobicContact CB-CD1 3.91Å; V208-L263 HydrophobicContact CB-CD2 4.16Å; V208-L263 HydrophobicContact CG1-CD1 4.04Å; V208-L263 HydrophobicContact CG1-CD2 3.57Å; V208-L263 HydrophobicContact CG1-CG 4.47Å; A209-L263 HydrophobicContact CB-CD1 4.43Å; I229-L263 HydrophobicContact CG2-CD2 3.94Å; F233-L263 HydrophobicContact CD1-CD2 4.12Å; F233-L263 HydrophobicContact CE1-CB 3.75Å; F233-L263 HydrophobicContact CE1-CD2 3.45Å; F233-L263 VanDerWaalsContact CE1-CD2 3.45Å; F233-L263 HydrophobicContact CE1-CG 4.22Å; F233-L263 HydrophobicContact CE2-CD2 3.94Å; F233-L263 HydrophobicContact CZ-CB 3.78Å; F233-L263 HydrophobicContact CZ-CD2 3.35Å; F233-L263 HydrophobicContact CZ-CG 4.09Å; G259-L263 PolarHBondContact O-N 3.11Å; G259-L263 VanDerWaalsContact O-N 3.13Å; I260-L263 PolarHBondContact O-N 3.15Å; A261-L263 VanDerWaalsContact C-N 3.35Å; A261-L263 PolarHBondContact O-N 3.3Å; L263-M265 VanDerWaalsContact C-N 3.33Å; L263-M265 PolarHBondContact O-N 3.12Å; L263-C266 WeakPolarHBondContact O-CB 3.47Å; L263-C266 PolarHBondContact O-N 2.79Å; L263-M267 HydrophobicContact CD1-SD 4.46Å; L263-M267 HydrophobicContact CD2-CE 4.29Å; L263-M267 HydrophobicContact CG-CE 3.78Å; L263-M267 HydrophobicContact CG-SD 4.29Å; L263-M267 WeakPolarHBondContact O-CE 3.44Å; L263-M267 WeakPolarHBondContact O-CG 3.47Å; L263-M267 PolarHBondContact O-N 3.14Å
264F91.9Very high82.5Confident107 Ų10753 Ų5347%0.46927%0.272SS..Hα-helixtrans-61.7-38.9178.5-89.7-109.6000112.5I229 F233 I260 A261 C266 M267 S268I229-F264 HydrophobicContact CG2-CE2 4.39Å; F233-F264 HydrophobicContact CE2-CE2 4.15Å; F233-F264 HydrophobicContact CZ-CD2 4.35Å; F233-F264 HydrophobicContact CZ-CE2 4.29Å; I260-F264 HydrophobicContact CD1-CE2 4.22Å; I260-F264 HydrophobicContact CG1-CD2 3.87Å; I260-F264 HydrophobicContact CG1-CE2 3.75Å; I260-F264 VanDerWaalsContact O-CD2 3.23Å; I260-F264 WeakPolarHBondContact O-CD2 3.32Å; I260-F264 PolarHBondContact O-N 2.99Å; I260-F264 VanDerWaalsContact O-N 3.07Å; A261-F264 PolarHBondContact O-N 2.96Å; A261-F264 VanDerWaalsContact O-N 3.15Å; F264-C266 VanDerWaalsContact C-N 3.32Å; F264-C266 PolarHBondContact O-N 2.89Å; F264-M267 HydrophobicContact CD2-CE 4.13Å; F264-M267 HydrophobicContact CG-CE 4.26Å; F264-M267 PolarHBondContact O-N 3.33Å; F264-M267 VanDerWaalsContact O-N 3.09Å; F264-S268 PolarHBondContact O-N 3.4Å; F264-S268 VanDerWaalsContact O-N 3.16Å; F264-S268 PolarHBondContact O-OG 3.05Å
265M88.1Confident80.4Confident59 Ų5956.9 Ų56.929%0.29130%0.301SS..Hα-helixtrans-58.4-44.8173.6-74.4-58-71.500111.6A151 T153 A261 E262 L263 M267 S268A151-M265 HydrophobicContact CB-CG 3.52Å; T153-M265 HydrophobicContact CG2-CE 3.93Å; A261-M265 WeakPolarHBondContact O-CG 3.31Å; A261-M265 PolarHBondContact O-N 3.09Å; E262-M265 PolarHBondContact O-N 2.79Å; L263-M265 VanDerWaalsContact C-N 3.33Å; L263-M265 PolarHBondContact O-N 3.12Å; M265-M267 PolarHBondContact O-N 2.93Å; M265-S268 PolarHBondContact O-N 3.41Å; M265-S268 VanDerWaalsContact O-N 3.11Å
266C84Confident78.1Confident1 Ų155.8 Ų55.81%0.00730%0.299CS..Hα-helixtrans-62.6-17.2178.7-59.40000113.7K205 A209 E262 L263 F264 L282 I285K205-C266 PolarHBondContact NZ-SG 3.16Å; A209-C266 HydrophobicContact CB-CB 4.33Å; E262-C266 PolarHBondContact O-N 3.29Å; E262-C266 PolarHBondContact O-SG 2.81Å; L263-C266 WeakPolarHBondContact O-CB 3.47Å; L263-C266 PolarHBondContact O-N 2.79Å; F264-C266 VanDerWaalsContact C-N 3.32Å; F264-C266 PolarHBondContact O-N 2.89Å; C266-L282 WeakPolarHBondContact O-CD2 3.36Å; C266-I285 WeakPolarHBondContact O-CG2 3.3Å
267M82.1Confident76Confident21 Ų2154.8 Ų54.810%0.10330%0.295CS..Hα-helixtrans-106.3-3.5-178.1-59.7-177.1-63.200113.7A212 I229 L263 F264 M265 H269 I285A212-M267 HydrophobicContact CB-CG 4.21Å; A212-M267 HydrophobicContact CB-SD 3.51Å; A212-M267 VanDerWaalsContact CB-SD 3.51Å; I229-M267 HydrophobicContact CD1-CE 3.49Å; I229-M267 VanDerWaalsContact CD1-CE 3.49Å; I229-M267 HydrophobicContact CD1-SD 3.49Å; I229-M267 WeakPolarHBondContact CD1-SD 3.47Å; I229-M267 HydrophobicContact CG1-CE 3.9Å; I229-M267 HydrophobicContact CG1-SD 3.68Å; I229-M267 HydrophobicContact CG2-CE 4.3Å; L263-M267 HydrophobicContact CD1-SD 4.46Å; L263-M267 HydrophobicContact CD2-CE 4.29Å; L263-M267 HydrophobicContact CG-CE 3.78Å; L263-M267 HydrophobicContact CG-SD 4.29Å; L263-M267 WeakPolarHBondContact O-CE 3.44Å; L263-M267 WeakPolarHBondContact O-CG 3.47Å; L263-M267 PolarHBondContact O-N 3.14Å; F264-M267 HydrophobicContact CD2-CE 4.13Å; F264-M267 HydrophobicContact CG-CE 4.26Å; F264-M267 PolarHBondContact O-N 3.33Å; F264-M267 VanDerWaalsContact O-N 3.09Å; M265-M267 PolarHBondContact O-N 2.93Å; M267-H269 VanDerWaalsContact C-N 3.29Å; M267-H269 PolarHBondContact O-N 3.46Å; M267-I285 HydrophobicContact CB-CD1 4Å; M267-I285 HydrophobicContact CG-CD1 4.07Å
268S77.3Confident74Confident77 Ų7757.9 Ų57.954%0.53833%0.329SS..  trans-76.4-15.6-173.8-67.60000113.4F264 M265F264-S268 PolarHBondContact O-N 3.4Å; F264-S268 VanDerWaalsContact O-N 3.16Å; F264-S268 PolarHBondContact O-OG 3.05Å; M265-S268 PolarHBondContact O-N 3.41Å; M265-S268 VanDerWaalsContact O-N 3.11Å
269H67.1Low72.5Confident46 Ų4660.2 Ų60.221%0.21334%0.342CS..  trans-78.8129.9-179.6-160-107.6000113M267 L271 L282 R289M267-H269 VanDerWaalsContact C-N 3.29Å; M267-H269 PolarHBondContact O-N 3.46Å; H269-L271 VanDerWaalsContact CE1-CB 3.49Å; H269-L271 WeakPolarHBondContact CE1-CB 3.37Å; H269-L271 PolarHBondContact ND1-N 3.11Å; H269-L271 PolarHBondContact ND1-O 2.86Å; H269-L282 HydrophobicContact CB-CB 4.44Å; H269-L282 HydrophobicContact CB-CD1 3.48Å; H269-L282 VanDerWaalsContact CB-CD1 3.48Å; H269-L282 HydrophobicContact CB-CD2 3.55Å; H269-L282 HydrophobicContact CB-CG 3.99Å; H269-L282 VanDerWaalsContact CD2-CD1 3.46Å; H269-L282 WeakPolarHBondContact CD2-CD1 3.44Å; H269-R289 PolarHBondContact O-NH1 3.47Å; H269-R289 PolarHBondContact O-NH2 3.14Å
270K56.7Low71.4Confident192 Ų19262.4 Ų62.484%0.83535%0.352SS*.  trans-97-9.7-176.4-63.7-177.2-179.8179.60114.2
271L58.1Low70.5Confident105 Ų10560.4 Ų60.455%0.5534%0.342SS..  trans-102.9148.3-177.1-51.5167.9000111.4H269 R289H269-L271 VanDerWaalsContact CE1-CB 3.49Å; H269-L271 WeakPolarHBondContact CE1-CB 3.37Å; H269-L271 PolarHBondContact ND1-N 3.11Å; H269-L271 PolarHBondContact ND1-O 2.86Å; L271-R289 PolarHBondContact O-NH1 3.24Å
272D56.8Low69.9Low91 Ų9159.6 Ų59.649%0.48733%0.333SS..  trans-98-9.5-176.1-67.7-25.2000114.1S286 R289 R290D272-S286 PolarHBondContact O-OG 2.93Å; D272-R289 WeakPolarHBondContact OD1-CD 3.49Å; D272-R289 IonicContact OD1-CZ 3.3Å; D272-R289 IonicContact OD1-NE 2.67Å; D272-R289 IonicContact OD1-NH1 2.82Å; D272-R289 PolarHBondContact OD1-NH1 3.45Å; D272-R290 PolarHBondContact O-NH2 2.99Å; D272-R290 VanDerWaalsContact O-NH2 3.07Å
273D60.9Low69.6Low69 Ų6959.6 Ų59.637%0.36933%0.333SS..  trans-76.3128.4179.2-164.35.3000111.2S275D273-S275 PolarHBondContact OD1-N 3.38Å; D273-S275 PolarHBondContact OD1-OG 3.07Å; D273-S275 WeakPolarHBondContact OD2-CB 3.26Å; D273-S275 PolarHBondContact OD2-OG 2.75Å
274I58.1Low69.5Low27 Ų2759.7 Ų59.714%0.13833%0.333CS..SBendtrans-81.8-26.1176.8-65.6175.2000110.9D276 I277 L283 S286 R290 I304I274-D276 PolarHBondContact O-N 3.03Å; I274-I277 HydrophobicContact CB-CD1 3.99Å; I274-I277 HydrophobicContact CG1-CD1 3.65Å; I274-I277 HydrophobicContact CG2-CD1 4.11Å; I274-I277 WeakPolarHBondContact O-CB 3.31Å; I274-I277 PolarHBondContact O-N 3.17Å; I274-L283 HydrophobicContact CD1-CD1 4.07Å; I274-S286 WeakPolarHBondContact CG1-OG 3.43Å; I274-R290 VanDerWaalsContact CD1-NH1 3.29Å; I274-I304 HydrophobicContact CD1-CG2 3.27Å
275S52.3Low69.5Low100 Ų10054.7 Ų54.770%0.69931%0.311SS*.THydrogen-bonded Turntrans-55.5-34.7176.3-240000111.8D273D273-S275 PolarHBondContact OD1-N 3.38Å; D273-S275 PolarHBondContact OD1-OG 3.07Å; D273-S275 WeakPolarHBondContact OD2-CB 3.26Å; D273-S275 PolarHBondContact OD2-OG 2.75Å
276D49.1Very low69.5Low107 Ų10752 Ų5257%0.57230%0.299SS*.THydrogen-bonded Turntrans-94.65.1-177.2-67.8-21.6000112.9I274 G278I274-D276 PolarHBondContact O-N 3.03Å; D276-G278 PolarHBondContact O-N 3.08Å
277I51.3Low69.7Low19 Ų1952 Ų5210%0.09730%0.299CS..  trans-7384.8174.9-67.5178000108.1I274 D279 L280 L282I274-I277 HydrophobicContact CB-CD1 3.99Å; I274-I277 HydrophobicContact CG1-CD1 3.65Å; I274-I277 HydrophobicContact CG2-CD1 4.11Å; I274-I277 WeakPolarHBondContact O-CB 3.31Å; I274-I277 PolarHBondContact O-N 3.17Å; I277-D279 WeakPolarHBondContact CG2-O 3.27Å; I277-D279 PolarHBondContact O-N 3.45Å; I277-L280 HydrophobicContact CG2-CD2 4.44Å; I277-L282 HydrophobicContact CG2-CB 4.24Å
278G54.5Low70.2Confident80 Ų8051 Ų5183%0.82529%0.294SS*.SBendtrans-65.3-19.8166.800000112.3D276D276-G278 PolarHBondContact O-N 3.08Å
279D65.1Low70.8Confident49 Ų4948.6 Ų48.626%0.26227%0.273SS..SBendtrans-125.4102.5179.2-167.5-12.6000112.4T153 I277 D281 L282T153-D279 VanDerWaalsContact CG2-OD2 3.23Å; T153-D279 WeakPolarHBondContact CG2-OD2 3.24Å; I277-D279 WeakPolarHBondContact CG2-O 3.27Å; I277-D279 PolarHBondContact O-N 3.45Å; D279-D281 PolarHBondContact O-N 3.05Å; D279-D281 WeakPolarHBondContact OD1-CB 3.41Å; D279-D281 PolarHBondContact OD1-N 2.59Å; D279-D281 VanDerWaalsContact OD1-N 3.11Å; D279-L282 HydrophobicContact CB-CD1 4.28Å; D279-L282 HydrophobicContact CB-CG 4.5Å; D279-L282 WeakPolarHBondContact O-CB 3.43Å; D279-L282 WeakPolarHBondContact O-CG 3.44Å; D279-L282 PolarHBondContact O-N 3.06Å
280L74.3Confident71.8Confident49 Ų4949.4 Ų49.426%0.25727%0.274SS..G310 helixtrans-61-11.9-177.2-68.6170.5000114.2I277 L282 L283 I308 T312 F313I277-L280 HydrophobicContact CG2-CD2 4.44Å; L280-L282 PolarHBondContact O-N 3.16Å; L280-L283 VanDerWaalsContact O-CB 3.31Å; L280-L283 WeakPolarHBondContact O-CB 3.22Å; L280-L283 PolarHBondContact O-N 3.11Å; L280-L283 VanDerWaalsContact O-N 3.16Å; L280-I308 HydrophobicContact CD2-CD1 4.08Å; L280-I308 HydrophobicContact CD2-CG2 4.15Å; L280-T312 WeakPolarHBondContact CD1-OG1 3.09Å; L280-F313 HydrophobicContact CB-CB 4Å; L280-F313 HydrophobicContact CD1-CB 4.2Å; L280-F313 HydrophobicContact CD2-CB 4.49Å; L280-F313 HydrophobicContact CG-CB 4.47Å
281D74.8Confident73.4Confident32 Ų3240.5 Ų40.517%0.17124%0.235CC..G310 helixtrans-60.3-19.7169.2-82.4-33.3000112.6K119 K205 D279K119-D281 IonicContact NZ-OD2 3.48Å; K119-D281 PolarHBondContact NZ-OD2 3.38Å; K205-D281 IonicContact NZ-OD1 2.59Å; K205-D281 PolarHBondContact NZ-OD1 2.88Å; D279-D281 PolarHBondContact O-N 3.05Å; D279-D281 WeakPolarHBondContact OD1-CB 3.41Å; D279-D281 PolarHBondContact OD1-N 2.59Å; D279-D281 VanDerWaalsContact OD1-N 3.11Å
282L81.1Confident74.8Confident18 Ų1835.7 Ų35.79%0.09421%0.211CC..G310 helixtrans-88.2-6.8178.8-56.9171.9000114.3C266 H269 I277 D279 L280 N284 I285 S286C266-L282 WeakPolarHBondContact O-CD2 3.36Å; H269-L282 HydrophobicContact CB-CB 4.44Å; H269-L282 HydrophobicContact CB-CD1 3.48Å; H269-L282 VanDerWaalsContact CB-CD1 3.48Å; H269-L282 HydrophobicContact CB-CD2 3.55Å; H269-L282 HydrophobicContact CB-CG 3.99Å; H269-L282 VanDerWaalsContact CD2-CD1 3.46Å; H269-L282 WeakPolarHBondContact CD2-CD1 3.44Å; I277-L282 HydrophobicContact CG2-CB 4.24Å; D279-L282 HydrophobicContact CB-CD1 4.28Å; D279-L282 HydrophobicContact CB-CG 4.5Å; D279-L282 WeakPolarHBondContact O-CB 3.43Å; D279-L282 WeakPolarHBondContact O-CG 3.44Å; D279-L282 PolarHBondContact O-N 3.06Å; L280-L282 PolarHBondContact O-N 3.16Å; L282-N284 VanDerWaalsContact C-N 3.28Å; L282-N284 PolarHBondContact O-N 3.14Å; L282-I285 WeakPolarHBondContact O-CG2 3.35Å; L282-I285 PolarHBondContact O-N 3.11Å; L282-S286 PolarHBondContact O-N 3.31Å
283L86Confident75.9Confident2 Ų235.7 Ų35.71%0.0121%0.211CC..Hα-helixtrans-57.9-43.3-176.9178.363.4000111.7I274 L280 I285 S286 V287 I304 I308 F313I274-L283 HydrophobicContact CD1-CD1 4.07Å; L280-L283 VanDerWaalsContact O-CB 3.31Å; L280-L283 WeakPolarHBondContact O-CB 3.22Å; L280-L283 PolarHBondContact O-N 3.11Å; L280-L283 VanDerWaalsContact O-N 3.16Å; L283-I285 PolarHBondContact O-N 3.49Å; L283-S286 WeakPolarHBondContact O-CB 3.47Å; L283-S286 PolarHBondContact O-N 2.96Å; L283-V287 HydrophobicContact CD1-CG2 4.4Å; L283-V287 HydrophobicContact CG-CG2 4.38Å; L283-V287 WeakPolarHBondContact O-CG2 3.4Å; L283-V287 PolarHBondContact O-N 3.01Å; L283-I304 HydrophobicContact CD1-CG2 4.23Å; L283-I308 HydrophobicContact CD1-CD1 3.82Å; L283-I308 HydrophobicContact CD2-CD1 3.69Å; L283-I308 HydrophobicContact CG-CD1 4.38Å; L283-F313 HydrophobicContact CD2-CB 4.06Å; L283-F313 HydrophobicContact CD2-CD1 4.25Å; L283-F313 HydrophobicContact CD2-CD2 3.2Å; L283-F313 HydrophobicContact CD2-CE2 3.61Å; L283-F313 HydrophobicContact CD2-CG 3.57Å; L283-F313 HydrophobicContact CD2-CZ 4.32Å
284N90.8Very high76.1Confident2 Ų238.6 Ų38.61%0.01123%0.226CC..Hα-helixtrans-68.8-35.9-172.3-73.3-66.9000113.1N206 A209 I210 L282 V287 G288 V314 G316N206-N284 HydrophobicContact CB-CB 4.38Å; N206-N284 WeakPolarHBondContact CB-ND2 3.35Å; N206-N284 WeakPolarHBondContact O-CB 3.48Å; N206-N284 PolarHBondContact OD1-ND2 2.9Å; N206-N284 VanDerWaalsContact OD1-ND2 3.12Å; A209-N284 HydrophobicContact CB-CB 3.97Å; I210-N284 WeakPolarHBondContact CA-O 3.21Å; I210-N284 HydrophobicContact CG1-CB 3.99Å; I210-N284 VanDerWaalsContact CG1-O 3.31Å; I210-N284 WeakPolarHBondContact CG1-O 3.45Å; L282-N284 VanDerWaalsContact C-N 3.28Å; L282-N284 PolarHBondContact O-N 3.14Å; N284-V287 PolarHBondContact O-N 2.84Å; N284-G288 PolarHBondContact O-N 2.82Å; N284-V314 PolarHBondContact ND2-O 2.73Å; N284-G316 VanDerWaalsContact OD1-CA 3.3Å; N284-G316 WeakPolarHBondContact OD1-CA 3.43Å; N284-G316 PolarHBondContact OD1-N 2.71Å
285I91Very high76.3Confident2 Ų243 Ų431%0.0125%0.25CC..Hα-helixtrans-68.3-39.5173.1-170.7165.6000111.3A209 G213 C266 M267 L282 L283 V287 G288 R289A209-I285 WeakPolarHBondContact O-CA 3.43Å; G213-I285 WeakPolarHBondContact CA-O 3.21Å; C266-I285 WeakPolarHBondContact O-CG2 3.3Å; M267-I285 HydrophobicContact CB-CD1 4Å; M267-I285 HydrophobicContact CG-CD1 4.07Å; L282-I285 WeakPolarHBondContact O-CG2 3.35Å; L282-I285 PolarHBondContact O-N 3.11Å; L283-I285 PolarHBondContact O-N 3.49Å; I285-V287 PolarHBondContact O-N 2.67Å; I285-G288 PolarHBondContact O-N 3.15Å; I285-R289 WeakPolarHBondContact O-CG 3.43Å; I285-R289 PolarHBondContact O-N 3.18Å
286S87.7Confident76.7Confident3 Ų345.2 Ų45.22%0.02126%0.259CS..Hα-helixtrans-63.7-40.6175.4-1770000111.8D272 I274 L282 L283 G288 R289 R290D272-S286 PolarHBondContact O-OG 2.93Å; I274-S286 WeakPolarHBondContact CG1-OG 3.43Å; L282-S286 PolarHBondContact O-N 3.31Å; L283-S286 WeakPolarHBondContact O-CB 3.47Å; L283-S286 PolarHBondContact O-N 2.96Å; S286-G288 PolarHBondContact O-N 3.25Å; S286-R289 PolarHBondContact O-N 3Å; S286-R290 WeakPolarHBondContact O-CG 3.29Å; S286-R290 PolarHBondContact O-N 3.11Å
287V88.7Confident77.2Confident2 Ų247 Ų471%0.01227%0.269CS..Hα-helixtrans-56.1-52171.1169.30000109.9I210 L283 N284 I285 R289 R290 L291 I301 I304I210-V287 HydrophobicContact CD1-CG1 4.49Å; I210-V287 HydrophobicContact CG1-CG1 4.42Å; L283-V287 HydrophobicContact CD1-CG2 4.4Å; L283-V287 HydrophobicContact CG-CG2 4.38Å; L283-V287 WeakPolarHBondContact O-CG2 3.4Å; L283-V287 PolarHBondContact O-N 3.01Å; N284-V287 PolarHBondContact O-N 2.84Å; I285-V287 PolarHBondContact O-N 2.67Å; V287-R289 VanDerWaalsContact C-N 3.33Å; V287-R289 PolarHBondContact O-N 3.29Å; V287-R290 PolarHBondContact O-N 2.92Å; V287-L291 HydrophobicContact CG1-CD1 3.8Å; V287-L291 HydrophobicContact CG1-CG 4.05Å; V287-L291 WeakPolarHBondContact O-CB 3.5Å; V287-L291 WeakPolarHBondContact O-CG 3.42Å; V287-L291 PolarHBondContact O-N 3.16Å; V287-I301 HydrophobicContact CG1-CG1 4.23Å; V287-I304 HydrophobicContact CG2-CD1 4.38Å; V287-I304 HydrophobicContact CG2-CG2 4.13Å
288G92.7Very high77.7Confident0 Ų048.4 Ų48.40%027%0.273CS..Hα-helixtrans-54.4-44.7177.600000113.9I210 G213 I214 N284 I285 S286 L291 S292I210-G288 WeakPolarHBondContact O-CA 3.14Å; G213-G288 CarbonylContact O-C 3.55Å; I214-G288 WeakPolarHBondContact CA-O 3.12Å; I214-G288 WeakPolarHBondContact CG1-O 3.46Å; N284-G288 PolarHBondContact O-N 2.82Å; I285-G288 PolarHBondContact O-N 3.15Å; S286-G288 PolarHBondContact O-N 3.25Å; G288-L291 PolarHBondContact O-N 3.05Å; G288-S292 PolarHBondContact O-N 3.11Å; G288-S292 PolarHBondContact O-OG 3.33Å; G288-S292 VanDerWaalsContact O-OG 3.08Å
289R90.7Very high78.1Confident26 Ų2646.7 Ų46.710%0.09825%0.248CC..Hα-helixtrans-61.5-48.5177.6-70.8179.4-169.1154.13.8111.8G213 D216 H269 L271 D272 I285 S286 V287 L291 S292G213-R289 VanDerWaalsContact O-CA 3.24Å; G213-R289 WeakPolarHBondContact O-CA 3.17Å; G213-R289 VanDerWaalsContact O-CG 3.28Å; G213-R289 WeakPolarHBondContact O-CG 3.37Å; G213-R289 PolarHBondContact O-N 3.24Å; D216-R289 HydrophobicContact CB-CG 3.72Å; D216-R289 IonicContact OD2-CZ 3.85Å; D216-R289 IonicContact OD2-NE 3.22Å; D216-R289 PolarHBondContact OD2-NE 3.38Å; D216-R289 IonicContact OD2-NH2 2.73Å; D216-R289 PolarHBondContact OD2-NH2 2.63Å; H269-R289 PolarHBondContact O-NH1 3.47Å; H269-R289 PolarHBondContact O-NH2 3.14Å; L271-R289 PolarHBondContact O-NH1 3.24Å; D272-R289 WeakPolarHBondContact OD1-CD 3.49Å; D272-R289 IonicContact OD1-CZ 3.3Å; D272-R289 IonicContact OD1-NE 2.67Å; D272-R289 IonicContact OD1-NH1 2.82Å; D272-R289 PolarHBondContact OD1-NH1 3.45Å; I285-R289 WeakPolarHBondContact O-CG 3.43Å; I285-R289 PolarHBondContact O-N 3.18Å; S286-R289 PolarHBondContact O-N 3Å; V287-R289 VanDerWaalsContact C-N 3.33Å; V287-R289 PolarHBondContact O-N 3.29Å; R289-L291 VanDerWaalsContact C-N 3.31Å; R289-L291 PolarHBondContact O-N 3.24Å; R289-S292 VanDerWaalsContact O-CB 3.24Å; R289-S292 WeakPolarHBondContact O-CB 3.43Å; R289-S292 PolarHBondContact O-N 2.95Å
290R88Confident78.2Confident63 Ų6347.6 Ų47.624%0.23826%0.258CS..Hα-helixtrans-65.5-34.4179.3-69.5175.9-177.7-155.1-1.5112.8D272 I274 S286 V287 S292 N293 I304D272-R290 PolarHBondContact O-NH2 2.99Å; D272-R290 VanDerWaalsContact O-NH2 3.07Å; I274-R290 VanDerWaalsContact CD1-NH1 3.29Å; S286-R290 WeakPolarHBondContact O-CG 3.29Å; S286-R290 PolarHBondContact O-N 3.11Å; V287-R290 PolarHBondContact O-N 2.92Å; R290-S292 PolarHBondContact O-N 2.9Å; R290-N293 PolarHBondContact O-N 3.11Å; R290-I304 HydrophobicContact CB-CD1 4.23Å
291L89Confident78.1Confident4 Ų446.1 Ų46.12%0.02125%0.25CC..Hα-helixtrans-62.8-20.7175.1-74.5-177.5000112.4I210 V287 G288 R289 R298 I301 I345 P352I210-L291 HydrophobicContact CG2-CD1 4.18Å; V287-L291 HydrophobicContact CG1-CD1 3.8Å; V287-L291 HydrophobicContact CG1-CG 4.05Å; V287-L291 WeakPolarHBondContact O-CB 3.5Å; V287-L291 WeakPolarHBondContact O-CG 3.42Å; V287-L291 PolarHBondContact O-N 3.16Å; G288-L291 PolarHBondContact O-N 3.05Å; R289-L291 VanDerWaalsContact C-N 3.31Å; R289-L291 PolarHBondContact O-N 3.24Å; L291-R298 VanDerWaalsContact CB-NH2 3.26Å; L291-R298 PolarHBondContact O-NE 3.47Å; L291-R298 PolarHBondContact O-NH2 2.92Å; L291-I301 HydrophobicContact CD1-CD1 4.44Å; L291-I301 HydrophobicContact CD2-CD1 4.36Å; L291-I301 HydrophobicContact CD2-CG1 4.03Å; L291-I345 HydrophobicContact CD1-CG2 4.46Å; L291-P352 WeakPolarHBondContact O-CG 3.33Å
292S87.8Confident77.7Confident5 Ų553.6 Ų53.64%0.03528%0.276CS..THydrogen-bonded Turntrans-82.4-13.6179.5-53.60000114.3I214 G217 G288 R289 R290 N294I214-S292 WeakPolarHBondContact CA-OG 3.42Å; I214-S292 PolarHBondContact O-OG 2.83Å; G217-S292 VanDerWaalsContact C-CB 3.42Å; G288-S292 PolarHBondContact O-N 3.11Å; G288-S292 PolarHBondContact O-OG 3.33Å; G288-S292 VanDerWaalsContact O-OG 3.08Å; R289-S292 VanDerWaalsContact O-CB 3.24Å; R289-S292 WeakPolarHBondContact O-CB 3.43Å; R289-S292 PolarHBondContact O-N 2.95Å; R290-S292 PolarHBondContact O-N 2.9Å; S292-N294 PolarHBondContact O-N 3.24Å
293N80.5Confident77.1Confident91 Ų9155 Ų5549%0.48729%0.287SS..  trans-66.8123.9177.4-72.2-13000109.9R290 D295R290-N293 PolarHBondContact O-N 3.11Å; N293-D295 PolarHBondContact O-N 3.35Å
294N65.6Low76.3Confident130 Ų13055.2 Ų55.270%0.69529%0.288SS*.  trans-75.30.7-178.8-82.3-24.3000114.5S292 T296 Q353S292-N294 PolarHBondContact O-N 3.24Å; N294-T296 PolarHBondContact O-N 2.8Å; N294-Q353 PolarHBondContact ND2-NE2 3.2Å; N294-Q353 PolarHBondContact OD1-NE2 3.05Å
295D61.3Low75.3Confident118 Ų11855.7 Ų55.763%0.63129%0.291SS*.  trans-63.2138.6-179.1-87.6-28.4000111.1N293 N297 R298N293-D295 PolarHBondContact O-N 3.35Å; D295-N297 PolarHBondContact O-N 3.01Å; D295-R298 PolarHBondContact O-N 3.17Å
296T60.4Low74.3Confident147 Ų14761.5 Ų61.590%0.90232%0.323SS*.THydrogen-bonded Turntrans-55.2-17.7170.1480000112.6N294N294-T296 PolarHBondContact O-N 2.8Å
297N59.8Low73.4Confident146 Ų14669.5 Ų69.578%0.78136%0.357SS*.THydrogen-bonded Turntrans-93.831.1173.4-98.42000113.9D295 P299D295-N297 PolarHBondContact O-N 3.01Å; N297-P299 WeakPolarHBondContact O-CD 3.35Å
298R62.1Low72.3Confident48 Ų4870.7 Ų70.718%0.18136%0.363CS..PPolyproline II helixtrans-48.3117.5173.4-174.4179.1-175.3-169.23110L291 D295 S300 I345 N348L291-R298 VanDerWaalsContact CB-NH2 3.26Å; L291-R298 PolarHBondContact O-NE 3.47Å; L291-R298 PolarHBondContact O-NH2 2.92Å; D295-R298 PolarHBondContact O-N 3.17Å; R298-S300 PolarHBondContact O-N 2.78Å; R298-I345 PolarHBondContact NH1-O 3.04Å; R298-I345 PolarHBondContact NH2-O 2.7Å; R298-N348 WeakPolarHBondContact CD-OD1 3.22Å; R298-N348 PolarHBondContact NH1-OD1 2.8Å
299P62.6Low70.9Confident44 Ų4475.2 Ų75.229%0.28639%0.392SS..PPolyproline II helixtrans-62.5133.5179.422.3-30000108.9N297 S303 I304N297-P299 WeakPolarHBondContact O-CD 3.35Å; P299-S303 WeakPolarHBondContact CB-OG 3.38Å; P299-I304 HydrophobicContact CB-CD1 4.44Å; P299-I304 HydrophobicContact CB-CG1 4.22Å; P299-I304 HydrophobicContact CG-CD1 4.26Å; P299-I304 HydrophobicContact CG-CG1 4.48Å
300S68.3Low69.7Low67 Ų6781.6 Ų81.647%0.46942%0.417SS..PPolyproline II helixtrans-61.8146.8168.768.50000108.7R298 R302 S303 I304R298-S300 PolarHBondContact O-N 2.78Å; S300-R302 PolarHBondContact O-N 3.28Å; S300-R302 VanDerWaalsContact O-N 3.14Å; S300-S303 PolarHBondContact N-OG 3.02Å; S300-S303 PolarHBondContact O-N 3.42Å; S300-S303 PolarHBondContact O-OG 3.34Å; S300-S303 PolarHBondContact OG-N 2.95Å; S300-S303 VanDerWaalsContact OG-N 3.14Å; S300-I304 PolarHBondContact O-N 3.22Å
301I70.3Confident68.7Low19 Ų1985 Ų8510%0.09743%0.431CS..Hα-helixtrans-55.1-36.8176.5-66.4159.5000110.1V287 L291 S303 I304 T305 A317 C346V287-I301 HydrophobicContact CG1-CG1 4.23Å; L291-I301 HydrophobicContact CD1-CD1 4.44Å; L291-I301 HydrophobicContact CD2-CD1 4.36Å; L291-I301 HydrophobicContact CD2-CG1 4.03Å; I301-S303 PolarHBondContact O-N 3.21Å; I301-I304 WeakPolarHBondContact O-CB 3.38Å; I301-I304 PolarHBondContact O-N 3.43Å; I301-T305 HydrophobicContact CG2-CG2 4.14Å; I301-T305 WeakPolarHBondContact O-CG2 3.4Å; I301-T305 PolarHBondContact O-N 3.34Å; I301-T305 PolarHBondContact O-OG1 2.93Å; I301-T305 VanDerWaalsContact O-OG1 3.12Å; I301-A317 HydrophobicContact CD1-CB 3.61Å; I301-A317 HydrophobicContact CG2-CB 4.17Å; I301-C346 HydrophobicContact CD1-CB 3.44Å; I301-C346 VanDerWaalsContact CD1-CB 3.44Å
302R67.8Low68.1Low188 Ų18887.8 Ų87.871%0.70945%0.448SS*.Hα-helixtrans-54.7-45.9172-70.9-173.9179.9174.1-1.2112.9S300 I304 T305 D306S300-R302 PolarHBondContact O-N 3.28Å; S300-R302 VanDerWaalsContact O-N 3.14Å; R302-I304 PolarHBondContact O-N 3.09Å; R302-T305 WeakPolarHBondContact CA-OG1 3.18Å; R302-T305 PolarHBondContact O-N 2.95Å; R302-T305 PolarHBondContact O-OG1 3.46Å; R302-D306 WeakPolarHBondContact O-CB 3.49Å; R302-D306 PolarHBondContact O-N 2.91Å
303S67.7Low67.7Low49 Ų4988.7 Ų88.734%0.34345%0.451SS..Hα-helixtrans-66.2-21.4179.777.50000113.6P299 S300 I301P299-S303 WeakPolarHBondContact CB-OG 3.38Å; S300-S303 PolarHBondContact N-OG 3.02Å; S300-S303 PolarHBondContact O-N 3.42Å; S300-S303 PolarHBondContact O-OG 3.34Å; S300-S303 PolarHBondContact OG-N 2.95Å; S300-S303 VanDerWaalsContact OG-N 3.14Å; I301-S303 PolarHBondContact O-N 3.21Å
304I68.8Low67.9Low5 Ų585.3 Ų85.33%0.02643%0.433CS..Hα-helixtrans-79.5-48.7173.1-60.7173.4000110.1I274 L283 V287 R290 P299 S300 I301 R302I274-I304 HydrophobicContact CD1-CG2 3.27Å; L283-I304 HydrophobicContact CD1-CG2 4.23Å; V287-I304 HydrophobicContact CG2-CD1 4.38Å; V287-I304 HydrophobicContact CG2-CG2 4.13Å; R290-I304 HydrophobicContact CB-CD1 4.23Å; P299-I304 HydrophobicContact CB-CD1 4.44Å; P299-I304 HydrophobicContact CB-CG1 4.22Å; P299-I304 HydrophobicContact CG-CD1 4.26Å; P299-I304 HydrophobicContact CG-CG1 4.48Å; S300-I304 PolarHBondContact O-N 3.22Å; I301-I304 WeakPolarHBondContact O-CB 3.38Å; I301-I304 PolarHBondContact O-N 3.43Å; R302-I304 PolarHBondContact O-N 3.09Å
305T70.1Confident69Low12 Ų1280 Ų807%0.07441%0.405CS..Hα-helixtrans-77.8-31.7-173.255.30000114.1I301 R302 K307 I308 F313I301-T305 HydrophobicContact CG2-CG2 4.14Å; I301-T305 WeakPolarHBondContact O-CG2 3.4Å; I301-T305 PolarHBondContact O-N 3.34Å; I301-T305 PolarHBondContact O-OG1 2.93Å; I301-T305 VanDerWaalsContact O-OG1 3.12Å; R302-T305 WeakPolarHBondContact CA-OG1 3.18Å; R302-T305 PolarHBondContact O-N 2.95Å; R302-T305 PolarHBondContact O-OG1 3.46Å; T305-K307 PolarHBondContact O-N 3.09Å; T305-K307 VanDerWaalsContact O-N 3.16Å; T305-I308 PolarHBondContact O-N 2.99Å; T305-F313 HydrophobicContact CG2-CE2 3.77Å; T305-F313 HydrophobicContact CG2-CZ 3.84Å
306D71Confident70.6Confident125 Ų12574.4 Ų74.467%0.66838%0.375SS*.THydrogen-bonded Turntrans-67.8-14.9-176.3-68.4-14.1000112.6R302 I308R302-D306 WeakPolarHBondContact O-CB 3.49Å; R302-D306 PolarHBondContact O-N 2.91Å; D306-I308 VanDerWaalsContact C-N 3.3Å
307K68.3Low72.2Confident170 Ų17067.7 Ų67.774%0.73934%0.335SS*.THydrogen-bonded Turntrans-77.7-14.3174.3-65.3-175.8179.5-174.90113.3T305 P309T305-K307 PolarHBondContact O-N 3.09Å; T305-K307 VanDerWaalsContact O-N 3.16Å; K307-P309 WeakPolarHBondContact O-CD 3.44Å
308I66.6Low73.8Confident27 Ų2763.9 Ų63.914%0.13831%0.312CS..SBendtrans-90.9114.3-175.3-56.9171.5000108.9L280 L283 T305 D306 Y310 F313L280-I308 HydrophobicContact CD2-CD1 4.08Å; L280-I308 HydrophobicContact CD2-CG2 4.15Å; L283-I308 HydrophobicContact CD1-CD1 3.82Å; L283-I308 HydrophobicContact CD2-CD1 3.69Å; L283-I308 HydrophobicContact CG-CD1 4.38Å; T305-I308 PolarHBondContact O-N 2.99Å; D306-I308 VanDerWaalsContact C-N 3.3Å; I308-Y310 PolarHBondContact O-N 3.26Å; I308-F313 HydrophobicContact CB-CD1 4.19Å; I308-F313 HydrophobicContact CB-CE1 3.87Å; I308-F313 HydrophobicContact CD1-CD1 3.89Å; I308-F313 HydrophobicContact CD1-CE1 3.87Å; I308-F313 HydrophobicContact CD1-CG 4.45Å; I308-F313 HydrophobicContact CD1-CZ 4.41Å; I308-F313 HydrophobicContact CG1-CE1 4.44Å; I308-F313 HydrophobicContact CG2-CD1 3.82Å; I308-F313 HydrophobicContact CG2-CE1 3.97Å
309P61.9Low75.4Confident96 Ų9662.1 Ų62.162%0.62331%0.306SS*.SBendtrans-69.4133.3178.827.1-32000110.4K307K307-P309 WeakPolarHBondContact O-CD 3.44Å
310Y65.2Low77Confident159 Ų15960 Ų6062%0.62429%0.292SS*.SBendtrans62.4128.1-174.2-48.2-79.7000112.2I308 T312I308-Y310 PolarHBondContact O-N 3.26Å; Y310-T312 PolarHBondContact O-N 2.91Å; Y310-T312 PolarHBondContact O-OG1 3.26Å
311R67.9Low78.4Confident136 Ų13661.6 Ų61.651%0.51329%0.29SS..SBendtrans-7071.6177.7-96.5-173164.9-142.9-11.3110.7C95 E318C95-R311 PolarHBondContact SG-O 3.33Å; R311-E318 IonicContact CZ-OE2 3.82Å; R311-E318 VanDerWaalsContact CZ-OE2 3.31Å; R311-E318 IonicContact NH1-OE1 2.78Å; R311-E318 IonicContact NH1-OE2 2.77Å; R311-E318 PolarHBondContact NH1-OE2 2.85Å; R311-E318 IonicContact NH2-OE2 2.9Å; R311-E318 PolarHBondContact NH2-OE2 3.39Å
312T75.3Confident79.7Confident62 Ų6261 Ų6138%0.3829%0.287SS..  trans-94.2-9.3-178.752.40000113.2P93 L280 Y310P93-T312 HydrophobicContact CG-CG2 4.23Å; L280-T312 WeakPolarHBondContact CD1-OG1 3.09Å; Y310-T312 PolarHBondContact O-N 2.91Å; Y310-T312 PolarHBondContact O-OG1 3.26Å
313F79.4Confident81.2Confident23 Ų2352.1 Ų52.110%0.10125%0.254CS..SBendtrans-101.1166.2178.764.3-86.5000112.3L280 L283 T305 I308 D315L280-F313 HydrophobicContact CB-CB 4Å; L280-F313 HydrophobicContact CD1-CB 4.2Å; L280-F313 HydrophobicContact CD2-CB 4.49Å; L280-F313 HydrophobicContact CG-CB 4.47Å; L283-F313 HydrophobicContact CD2-CB 4.06Å; L283-F313 HydrophobicContact CD2-CD1 4.25Å; L283-F313 HydrophobicContact CD2-CD2 3.2Å; L283-F313 HydrophobicContact CD2-CE2 3.61Å; L283-F313 HydrophobicContact CD2-CG 3.57Å; L283-F313 HydrophobicContact CD2-CZ 4.32Å; T305-F313 HydrophobicContact CG2-CE2 3.77Å; T305-F313 HydrophobicContact CG2-CZ 3.84Å; I308-F313 HydrophobicContact CB-CD1 4.19Å; I308-F313 HydrophobicContact CB-CE1 3.87Å; I308-F313 HydrophobicContact CD1-CD1 3.89Å; I308-F313 HydrophobicContact CD1-CE1 3.87Å; I308-F313 HydrophobicContact CD1-CG 4.45Å; I308-F313 HydrophobicContact CD1-CZ 4.41Å; I308-F313 HydrophobicContact CG1-CE1 4.44Å; I308-F313 HydrophobicContact CG2-CD1 3.82Å; I308-F313 HydrophobicContact CG2-CE1 3.97Å; F313-D315 HydrophobicContact CD2-CB 4.45Å; F313-D315 HydrophobicContact CE2-CB 4.01Å
314V85.7Confident82.6Confident20 Ų2052.9 Ų52.912%0.12125%0.249CC..  trans-101.2119.8170.6174.90000109.7P94 K119 N206 N284 G316 Y319P94-V314 HydrophobicContact CG-CG2 4.4Å; K119-V314 WeakPolarHBondContact O-CG2 3.4Å; N206-V314 HydrophobicContact CB-CG1 4.42Å; N206-V314 VanDerWaalsContact ND2-CG1 3.28Å; N206-V314 WeakPolarHBondContact ND2-CG1 3.25Å; N284-V314 PolarHBondContact ND2-O 2.73Å; V314-G316 PolarHBondContact O-N 2.89Å; V314-Y319 HydrophobicContact CG1-CD1 4.38Å; V314-Y319 HydrophobicContact CG1-CD2 4.02Å; V314-Y319 HydrophobicContact CG1-CE1 3.91Å; V314-Y319 HydrophobicContact CG1-CE2 3.54Å; V314-Y319 HydrophobicContact CG1-CG 4.43Å; V314-Y319 VanDerWaalsContact CG1-CZ 3.43Å
315D89.4Confident84.1Confident19 Ų1955.3 Ų55.310%0.10226%0.263CS..  trans-82.7103.8177.8-173.2-19.7000110.4F313 A317 E318 Y319F313-D315 HydrophobicContact CD2-CB 4.45Å; F313-D315 HydrophobicContact CE2-CB 4.01Å; D315-A317 PolarHBondContact O-N 2.8Å; D315-A317 WeakPolarHBondContact OD1-CA 3.33Å; D315-A317 VanDerWaalsContact OD1-CB 3.27Å; D315-A317 WeakPolarHBondContact OD1-CB 3.31Å; D315-A317 PolarHBondContact OD1-N 2.94Å; D315-E318 HydrophobicContact CB-CB 3.88Å; D315-E318 PolarHBondContact O-N 3.2Å; D315-E318 PolarHBondContact OD1-N 2.78Å; D315-Y319 WeakPolarHBondContact O-CD2 3.49Å; D315-Y319 PolarHBondContact O-N 3.19Å; D315-Y319 VanDerWaalsContact O-N 3.16Å
316G93.3Very high85.4Confident0 Ų055 Ų550%026%0.26CS..Hα-helixtrans-60.5-27.5177.500000113.2N284 V314 Y319 A320N284-G316 VanDerWaalsContact OD1-CA 3.3Å; N284-G316 WeakPolarHBondContact OD1-CA 3.43Å; N284-G316 PolarHBondContact OD1-N 2.71Å; V314-G316 PolarHBondContact O-N 2.89Å; G316-Y319 PolarHBondContact O-N 2.86Å; G316-A320 WeakPolarHBondContact O-CB 3.36Å; G316-A320 PolarHBondContact O-N 2.92Å
317A93.9Very high86.7Confident6 Ų649.1 Ų49.15%0.0523%0.229CC..Hα-helixtrans-75.3-35.7177.200000112.3I210 I301 D315 Y319 A320 K321 C346I210-A317 HydrophobicContact CD1-CB 4.38Å; I301-A317 HydrophobicContact CD1-CB 3.61Å; I301-A317 HydrophobicContact CG2-CB 4.17Å; D315-A317 PolarHBondContact O-N 2.8Å; D315-A317 WeakPolarHBondContact OD1-CA 3.33Å; D315-A317 VanDerWaalsContact OD1-CB 3.27Å; D315-A317 WeakPolarHBondContact OD1-CB 3.31Å; D315-A317 PolarHBondContact OD1-N 2.94Å; A317-Y319 VanDerWaalsContact C-N 3.27Å; A317-Y319 PolarHBondContact O-N 2.65Å; A317-A320 PolarHBondContact O-N 3.15Å; A317-K321 WeakPolarHBondContact O-CB 3.26Å; A317-K321 PolarHBondContact O-N 3.45Å; A317-C346 HydrophobicContact CB-CB 4.09Å
318E93.5Very high88.1Confident67 Ų6743 Ų4331%0.31321%0.21SC..Hα-helixtrans-62.7-39.7172.3-157.8179.5148.200110.3L123 R311 D315 K321 Q322L123-E318 HydrophobicContact CD1-CB 4.06Å; L123-E318 HydrophobicContact CD1-CG 3.58Å; R311-E318 IonicContact CZ-OE2 3.82Å; R311-E318 VanDerWaalsContact CZ-OE2 3.31Å; R311-E318 IonicContact NH1-OE1 2.78Å; R311-E318 IonicContact NH1-OE2 2.77Å; R311-E318 PolarHBondContact NH1-OE2 2.85Å; R311-E318 IonicContact NH2-OE2 2.9Å; R311-E318 PolarHBondContact NH2-OE2 3.39Å; D315-E318 HydrophobicContact CB-CB 3.88Å; D315-E318 PolarHBondContact O-N 3.2Å; D315-E318 PolarHBondContact OD1-N 2.78Å; E318-K321 PolarHBondContact O-N 2.88Å; E318-Q322 PolarHBondContact O-N 3.37Å
319Y95.6Very high89.6Confident11 Ų1147.7 Ų47.74%0.04324%0.235CC..Hα-helixtrans-68.5-48177.3-79.7-129.7000110.9G120 L121 L123 V314 D315 G316 A317 K321 Q322 I323G120-Y319 WeakPolarHBondContact CA-OH 3.42Å; L121-Y319 HydrophobicContact CB-CE1 3.82Å; L121-Y319 HydrophobicContact CD1-CD1 4.35Å; L121-Y319 HydrophobicContact CD1-CE1 3.97Å; L121-Y319 HydrophobicContact CG-CE1 3.89Å; L121-Y319 PolarHBondContact N-OH 3.01Å; L121-Y319 PolarHBondContact O-OH 3.21Å; L123-Y319 HydrophobicContact CD1-CD2 3.69Å; L123-Y319 HydrophobicContact CD1-CE2 3.78Å; L123-Y319 HydrophobicContact CD2-CD1 4.43Å; L123-Y319 HydrophobicContact CD2-CD2 4.08Å; L123-Y319 HydrophobicContact CD2-CE1 4.38Å; L123-Y319 HydrophobicContact CD2-CE2 4Å; L123-Y319 HydrophobicContact CD2-CG 4.29Å; L123-Y319 HydrophobicContact CG-CD2 4.27Å; L123-Y319 HydrophobicContact CG-CE2 4.01Å; V314-Y319 HydrophobicContact CG1-CD1 4.38Å; V314-Y319 HydrophobicContact CG1-CD2 4.02Å; V314-Y319 HydrophobicContact CG1-CE1 3.91Å; V314-Y319 HydrophobicContact CG1-CE2 3.54Å; V314-Y319 HydrophobicContact CG1-CG 4.43Å; V314-Y319 VanDerWaalsContact CG1-CZ 3.43Å; D315-Y319 WeakPolarHBondContact O-CD2 3.49Å; D315-Y319 PolarHBondContact O-N 3.19Å; D315-Y319 VanDerWaalsContact O-N 3.16Å; G316-Y319 PolarHBondContact O-N 2.86Å; A317-Y319 VanDerWaalsContact C-N 3.27Å; A317-Y319 PolarHBondContact O-N 2.65Å; Y319-K321 PolarHBondContact O-N 2.84Å; Y319-Q322 PolarHBondContact O-N 3.41Å; Y319-Q322 VanDerWaalsContact O-N 3.14Å; Y319-I323 WeakPolarHBondContact O-CB 3.27Å; Y319-I323 WeakPolarHBondContact O-CD1 3.45Å; Y319-I323 WeakPolarHBondContact O-CG1 3.35Å; Y319-I323 PolarHBondContact O-N 3Å
320A97.7Very high91.3Very high0 Ų048.1 Ų48.10%023%0.225CC..Hα-helixtrans-55.9-40.617600000111.5V207 G316 A317 Y324 V342 H343V207-A320 HydrophobicContact CG1-CB 3.99Å; V207-A320 HydrophobicContact CG2-CB 4.22Å; G316-A320 WeakPolarHBondContact O-CB 3.36Å; G316-A320 PolarHBondContact O-N 2.92Å; A317-A320 PolarHBondContact O-N 3.15Å; A320-Y324 VanDerWaalsContact O-CB 3.26Å; A320-Y324 WeakPolarHBondContact O-CB 3.09Å; A320-Y324 PolarHBondContact O-N 3.34Å; A320-V342 HydrophobicContact CB-CG1 4.1Å; A320-H343 HydrophobicContact CB-CB 4.07Å
321K97.5Very high92.9Very high100 Ų10051.5 Ų51.544%0.43524%0.236SC..Hα-helixtrans-63.3-49174.2178.4175.1-179.4177.30113.1A317 E318 Y319 I323 Y324 N325 H343A317-K321 WeakPolarHBondContact O-CB 3.26Å; A317-K321 PolarHBondContact O-N 3.45Å; E318-K321 PolarHBondContact O-N 2.88Å; Y319-K321 PolarHBondContact O-N 2.84Å; K321-I323 VanDerWaalsContact C-N 3.32Å; K321-I323 PolarHBondContact O-N 3.12Å; K321-Y324 PolarHBondContact O-N 2.94Å; K321-N325 PolarHBondContact O-N 2.83Å; K321-N325 VanDerWaalsContact O-N 3.09Å; K321-H343 VanDerWaalsContact CA-ND1 3.26Å; K321-H343 WeakPolarHBondContact CA-ND1 3.48Å
322Q97.6Very high94.3Very high7 Ų749.2 Ų49.23%0.03323%0.228CC..Hα-helixtrans-63.3-41.1179.8-174.957.961.900111.6L123 N128 I130 E318 Y319 N325 I326L123-Q322 HydrophobicContact CB-CG 4.48Å; L123-Q322 HydrophobicContact CD1-CB 4.42Å; L123-Q322 HydrophobicContact CD2-CB 4.16Å; L123-Q322 HydrophobicContact CD2-CG 4.14Å; N128-Q322 PolarHBondContact OD1-NE2 3.18Å; N128-Q322 VanDerWaalsContact OD1-NE2 3.16Å; I130-Q322 HydrophobicContact CD1-CB 4.4Å; I130-Q322 HydrophobicContact CD1-CG 3.89Å; I130-Q322 HydrophobicContact CG1-CB 4.46Å; I130-Q322 HydrophobicContact CG1-CG 3.51Å; E318-Q322 PolarHBondContact O-N 3.37Å; Y319-Q322 PolarHBondContact O-N 3.41Å; Y319-Q322 VanDerWaalsContact O-N 3.14Å; Q322-N325 PolarHBondContact O-N 3.26Å; Q322-I326 HydrophobicContact CG-CD1 4.21Å; Q322-I326 WeakPolarHBondContact O-CG1 3.31Å; Q322-I326 PolarHBondContact O-N 2.88Å; Q322-I326 VanDerWaalsContact O-N 3.16Å
323I98.3Very high95.4Very high1 Ų148.5 Ų48.51%0.00522%0.223CC..Hα-helixtrans-65.3-45.5177.6-66.6162.7000110.3I130 L204 V207 L239 Y319 K321 N325 I326 L327 F339I130-I323 HydrophobicContact CD1-CG1 3.76Å; L204-I323 HydrophobicContact CD2-CD1 3.45Å; L204-I323 VanDerWaalsContact CD2-CD1 3.45Å; V207-I323 HydrophobicContact CG2-CD1 4.42Å; L239-I323 HydrophobicContact CD1-CD1 4.46Å; L239-I323 HydrophobicContact CD1-CG2 4.1Å; L239-I323 HydrophobicContact CD2-CG2 3.85Å; Y319-I323 WeakPolarHBondContact O-CB 3.27Å; Y319-I323 WeakPolarHBondContact O-CD1 3.45Å; Y319-I323 WeakPolarHBondContact O-CG1 3.35Å; Y319-I323 PolarHBondContact O-N 3Å; K321-I323 VanDerWaalsContact C-N 3.32Å; K321-I323 PolarHBondContact O-N 3.12Å; I323-N325 VanDerWaalsContact C-N 3.32Å; I323-N325 PolarHBondContact O-N 2.74Å; I323-I326 PolarHBondContact O-N 3.16Å; I323-L327 HydrophobicContact CG2-CD1 3.7Å; I323-L327 HydrophobicContact CG2-CG 4.08Å; I323-L327 WeakPolarHBondContact O-CB 3.45Å; I323-L327 VanDerWaalsContact O-CG 3.27Å; I323-L327 WeakPolarHBondContact O-CG 3.4Å; I323-L327 PolarHBondContact O-N 2.8Å; I323-F339 HydrophobicContact CB-CD1 4.49Å; I323-F339 HydrophobicContact CD1-CD1 3.66Å; I323-F339 HydrophobicContact CD1-CE1 3.6Å; I323-F339 HydrophobicContact CG2-CD1 3.99Å
324Y98.5Very high96.2Very high64 Ų6450.2 Ų50.225%0.25125%0.248SC..Hα-helixtrans-54.6-47175.5172.7-97000112A320 K321 I326 L327 A328 T333 V340 H343A320-Y324 VanDerWaalsContact O-CB 3.26Å; A320-Y324 WeakPolarHBondContact O-CB 3.09Å; A320-Y324 PolarHBondContact O-N 3.34Å; K321-Y324 PolarHBondContact O-N 2.94Å; Y324-I326 VanDerWaalsContact C-N 3.34Å; Y324-I326 PolarHBondContact O-N 2.81Å; Y324-L327 PolarHBondContact O-N 3.06Å; Y324-A328 VanDerWaalsContact O-CB 3.27Å; Y324-A328 WeakPolarHBondContact O-CB 3.48Å; Y324-A328 PolarHBondContact O-N 3.48Å; Y324-T333 HydrophobicContact CD2-CG2 4.38Å; Y324-T333 HydrophobicContact CE2-CG2 4.24Å; Y324-V340 HydrophobicContact CD2-CG1 4.2Å; Y324-V340 HydrophobicContact CD2-CG2 4.2Å; Y324-V340 HydrophobicContact CE2-CG1 4.18Å; Y324-H343 VanDerWaalsContact CB-CD2 3.48Å; Y324-H343 WeakPolarHBondContact CB-CD2 3.37Å; Y324-H343 AromaticContact CD1-CD2 3.38Å; Y324-H343 WeakPolarHBondContact CD1-CD2 3.13Å; Y324-H343 AromaticContact CD1-NE2 3.32Å; Y324-H343 VanDerWaalsContact CD1-NE2 3.32Å; Y324-H343 WeakPolarHBondContact CD1-NE2 3.43Å; Y324-H343 AromaticContact CD2-CD2 3.54Å; Y324-H343 AromaticContact CE1-CD2 3.94Å; Y324-H343 AromaticContact CE1-NE2 3.79Å; Y324-H343 HydrophobicContact CG-CB 4.45Å; Y324-H343 AromaticContact CG-CD2 3.14Å; Y324-H343 AromaticContact CG-CG 3.83Å; Y324-H343 AromaticContact CG-NE2 3.63Å
325N98.4Very high96.7Very high57 Ų5751.1 Ų51.131%0.30525%0.25SS..Hα-helixtrans-62.2-39.9179.2-69.5-16.6000112.5N128 K321 Q322 I323 D329N128-N325 PolarHBondContact ND2-O 2.9Å; N128-N325 WeakPolarHBondContact OD1-CB 3.41Å; K321-N325 PolarHBondContact O-N 2.83Å; K321-N325 VanDerWaalsContact O-N 3.09Å; Q322-N325 PolarHBondContact O-N 3.26Å; I323-N325 VanDerWaalsContact C-N 3.32Å; I323-N325 PolarHBondContact O-N 2.74Å; N325-D329 WeakPolarHBondContact O-CB 3.46Å; N325-D329 PolarHBondContact O-N 3.24Å; N325-D329 VanDerWaalsContact O-N 3.15Å
326I98.3Very high97.2Very high5 Ų550.2 Ų50.23%0.02625%0.246CC..Hα-helixtrans-63.9-48.5175.4-68164.2000110.2N128 I130 L243 Q322 I323 Y324 A328 D329 R330N128-I326 VanDerWaalsContact O-CG1 3.27Å; N128-I326 WeakPolarHBondContact O-CG1 3.08Å; N128-I326 PolarHBondContact OD1-N 3.1Å; I130-I326 HydrophobicContact CD1-CD1 3.83Å; I130-I326 HydrophobicContact CG1-CD1 3.79Å; L243-I326 HydrophobicContact CD2-CD1 4.11Å; L243-I326 HydrophobicContact CD2-CG2 3.85Å; Q322-I326 HydrophobicContact CG-CD1 4.21Å; Q322-I326 WeakPolarHBondContact O-CG1 3.31Å; Q322-I326 PolarHBondContact O-N 2.88Å; Q322-I326 VanDerWaalsContact O-N 3.16Å; I323-I326 PolarHBondContact O-N 3.16Å; Y324-I326 VanDerWaalsContact C-N 3.34Å; Y324-I326 PolarHBondContact O-N 2.81Å; I326-A328 VanDerWaalsContact C-N 3.34Å; I326-A328 PolarHBondContact O-N 3.45Å; I326-D329 PolarHBondContact O-N 3.43Å; I326-R330 WeakPolarHBondContact O-CB 3.48Å; I326-R330 VanDerWaalsContact O-CG 3.29Å; I326-R330 WeakPolarHBondContact O-CG 3.29Å; I326-R330 PolarHBondContact O-N 2.99Å; I326-R330 VanDerWaalsContact O-N 3.07Å
327L98.4Very high97.4Very high1 Ų151.1 Ų51.11%0.00525%0.251CS..Hα-helixtrans-66.2-35.8-178.7-67.2177.7000112.4L239 E242 I323 Y324 R330 R331 R332 T333 F336L239-L327 HydrophobicContact CD2-CD1 4.38Å; L239-L327 HydrophobicContact CD2-CD2 4.12Å; E242-L327 HydrophobicContact CG-CD2 4Å; I323-L327 HydrophobicContact CG2-CD1 3.7Å; I323-L327 HydrophobicContact CG2-CG 4.08Å; I323-L327 WeakPolarHBondContact O-CB 3.45Å; I323-L327 VanDerWaalsContact O-CG 3.27Å; I323-L327 WeakPolarHBondContact O-CG 3.4Å; I323-L327 PolarHBondContact O-N 2.8Å; Y324-L327 PolarHBondContact O-N 3.06Å; L327-R330 CarbonylContact O-C 3.58Å; L327-R330 PolarHBondContact O-N 3.06Å; L327-R331 PolarHBondContact O-N 3.02Å; L327-R332 HydrophobicContact CD2-CB 3.94Å; L327-R332 PolarHBondContact O-N 3.29Å; L327-T333 HydrophobicContact CB-CG2 3.93Å; L327-F336 HydrophobicContact CD1-CB 3.66Å; L327-F336 HydrophobicContact CD1-CD2 3.63Å; L327-F336 HydrophobicContact CD1-CE2 4.46Å; L327-F336 HydrophobicContact CD1-CG 3.76Å; L327-F336 HydrophobicContact CD2-CD2 3.42Å; L327-F336 VanDerWaalsContact CD2-CD2 3.42Å; L327-F336 HydrophobicContact CD2-CE2 3.45Å; L327-F336 VanDerWaalsContact CD2-CE2 3.45Å; L327-F336 HydrophobicContact CD2-CG 4.26Å; L327-F336 HydrophobicContact CD2-CZ 4.3Å; L327-F336 HydrophobicContact CG-CD2 4.14Å
328A98.1Very high97.6Very high42 Ų4250.8 Ų50.835%0.34725%0.249SC..Hα-helixtrans-65.3-47.7177.100000111.1Y324 I326 R330 R331 T333Y324-A328 VanDerWaalsContact O-CB 3.27Å; Y324-A328 WeakPolarHBondContact O-CB 3.48Å; Y324-A328 PolarHBondContact O-N 3.48Å; I326-A328 VanDerWaalsContact C-N 3.34Å; I326-A328 PolarHBondContact O-N 3.45Å; A328-R330 VanDerWaalsContact C-N 3.26Å; A328-R330 PolarHBondContact O-N 2.87Å; A328-R331 PolarHBondContact O-N 2.68Å; A328-T333 HydrophobicContact CB-CG2 4.12Å
329D97.9Very high97.9Very high125 Ų12547.7 Ų47.767%0.66824%0.235SC*.Hα-helixtrans-58.1-40.6175.8-174.858.3000111.7N325 I326 R331N325-D329 WeakPolarHBondContact O-CB 3.46Å; N325-D329 PolarHBondContact O-N 3.24Å; N325-D329 VanDerWaalsContact O-N 3.15Å; I326-D329 PolarHBondContact O-N 3.43Å; D329-R331 VanDerWaalsContact C-N 3.31Å; D329-R331 PolarHBondContact O-N 3.1Å
330R97.3Very high98Very high106 Ų10648 Ų4840%0.424%0.238SC..THydrogen-bonded Turntrans-80.7-3.6177.6-63.1179.5-175.2-169.40.2114.8E242 I326 L327 A328 R332E242-R330 PolarHBondContact O-NH1 2.86Å; E242-R330 WeakPolarHBondContact OE1-CD 3.36Å; E242-R330 IonicContact OE1-CZ 3.31Å; E242-R330 IonicContact OE1-NE 2.92Å; E242-R330 IonicContact OE1-NH1 2.83Å; E242-R330 PolarHBondContact OE1-NH1 2.78Å; I326-R330 WeakPolarHBondContact O-CB 3.48Å; I326-R330 VanDerWaalsContact O-CG 3.29Å; I326-R330 WeakPolarHBondContact O-CG 3.29Å; I326-R330 PolarHBondContact O-N 2.99Å; I326-R330 VanDerWaalsContact O-N 3.07Å; L327-R330 CarbonylContact O-C 3.58Å; L327-R330 PolarHBondContact O-N 3.06Å; A328-R330 VanDerWaalsContact C-N 3.26Å; A328-R330 PolarHBondContact O-N 2.87Å; R330-R332 HydrophobicContact CB-CB 4.4Å; R330-R332 HydrophobicContact CB-CG 3.82Å; R330-R332 WeakPolarHBondContact O-CG 3.28Å; R330-R332 PolarHBondContact O-N 2.83Å
331R98Very high98Very high230 Ų23048.1 Ų48.187%0.86824%0.238SC*.THydrogen-bonded Turntrans5636.1-173.3-51.9179.5-177.2-175.6-0.1113.4L327 A328 D329L327-R331 PolarHBondContact O-N 3.02Å; A328-R331 PolarHBondContact O-N 2.68Å; D329-R331 VanDerWaalsContact C-N 3.31Å; D329-R331 PolarHBondContact O-N 3.1Å
332R97.7Very high98Very high88 Ų8843.3 Ų43.333%0.33222%0.217SC..  trans-107.71.5-177.7-63.5-67.6-70.2151.27.7113.6E242 L327 R330 G334 H335 F336E242-R332 IonicContact OE2-CZ 3.82Å; E242-R332 IonicContact OE2-NE 2.95Å; E242-R332 PolarHBondContact OE2-NE 2.89Å; E242-R332 IonicContact OE2-NH2 3.82Å; L327-R332 HydrophobicContact CD2-CB 3.94Å; L327-R332 PolarHBondContact O-N 3.29Å; R330-R332 HydrophobicContact CB-CB 4.4Å; R330-R332 HydrophobicContact CB-CG 3.82Å; R330-R332 WeakPolarHBondContact O-CG 3.28Å; R330-R332 PolarHBondContact O-N 2.83Å; R332-G334 PolarHBondContact O-N 3.45Å; R332-G334 VanDerWaalsContact O-N 3.13Å; R332-H335 PolarHBondContact NH2-CD2 2.77Å; R332-H335 VanDerWaalsContact NH2-CD2 3.34Å; R332-H335 VanDerWaalsContact NH2-CG 3.26Å; R332-H335 PolarHBondContact NH2-ND1 3.04Å; R332-H335 VanDerWaalsContact O-CB 3.31Å; R332-H335 WeakPolarHBondContact O-CB 3.41Å; R332-H335 PolarHBondContact O-N 3.44Å; R332-F336 HydrophobicContact CB-CE2 4.23Å; R332-F336 WeakPolarHBondContact O-CD2 3.49Å
333T97.8Very high98Very high46 Ų4643.3 Ų43.328%0.28222%0.217SC..G310 helixtrans-54.1-35.8-177.951.10000114Y324 L327 A328 H335 F336 V340Y324-T333 HydrophobicContact CD2-CG2 4.38Å; Y324-T333 HydrophobicContact CE2-CG2 4.24Å; L327-T333 HydrophobicContact CB-CG2 3.93Å; A328-T333 HydrophobicContact CB-CG2 4.12Å; T333-H335 PolarHBondContact O-N 2.97Å; T333-F336 PolarHBondContact O-N 2.79Å; T333-F336 VanDerWaalsContact O-N 3.17Å; T333-V340 HydrophobicContact CG2-CG2 4.12Å
334G96.7Very high98Very high60 Ų6047.4 Ų47.462%0.61923%0.233SC*.G310 helixtrans-64.5-16.1176.100000114.7R332 P363R332-G334 PolarHBondContact O-N 3.45Å; R332-G334 VanDerWaalsContact O-N 3.13Å; G334-P363 WeakPolarHBondContact O-CG 3.28Å
335H97.4Very high97.8Very high38 Ų3844.4 Ų44.418%0.17622%0.221CC..G310 helixtrans-87.1-14.8177.5-159.282.1000113.2W234 E238 R332 T333 P337W234-H335 AromaticContact CH2-CE1 3.71Å; W234-H335 AromaticContact CH2-NE2 3.39Å; W234-H335 WeakPolarHBondContact CH2-NE2 3.24Å; E238-H335 IonicContact OE2-CD2 3.81Å; E238-H335 IonicContact OE2-CE1 3.71Å; E238-H335 IonicContact OE2-NE2 2.8Å; E238-H335 PolarHBondContact OE2-NE2 3.43Å; R332-H335 PolarHBondContact NH2-CD2 2.77Å; R332-H335 VanDerWaalsContact NH2-CD2 3.34Å; R332-H335 VanDerWaalsContact NH2-CG 3.26Å; R332-H335 PolarHBondContact NH2-ND1 3.04Å; R332-H335 VanDerWaalsContact O-CB 3.31Å; R332-H335 WeakPolarHBondContact O-CB 3.41Å; R332-H335 PolarHBondContact O-N 3.44Å; T333-H335 PolarHBondContact O-N 2.97Å; H335-P337 VanDerWaalsContact C-CD 3.46Å
336F98.3Very high97.6Very high0 Ų042.1 Ų42.10%021%0.21CC..  trans-131.755.6-173.5-57-86.8000112.4E235 E238 L239 E242 L327 R332 T333 L338 F339 V340E235-F336 HydrophobicContact CB-CD1 4.11Å; E235-F336 VanDerWaalsContact CD-CA 3.45Å; E235-F336 HydrophobicContact CG-CD1 4.14Å; E235-F336 VanDerWaalsContact OE1-C 3.23Å; E235-F336 VanDerWaalsContact OE2-C 3.31Å; E235-F336 WeakPolarHBondContact OE2-CA 2.98Å; E238-F336 HydrophobicContact CB-CE1 3.52Å; E238-F336 HydrophobicContact CB-CZ 3.98Å; L239-F336 HydrophobicContact CB-CE1 4.29Å; L239-F336 HydrophobicContact CD1-CD1 4.46Å; L239-F336 HydrophobicContact CD2-CD1 3.99Å; L239-F336 HydrophobicContact CD2-CE1 3.75Å; L239-F336 HydrophobicContact CD2-CG 4.46Å; L239-F336 HydrophobicContact CD2-CZ 4.04Å; L239-F336 HydrophobicContact CG-CD1 3.75Å; L239-F336 HydrophobicContact CG-CE1 3.53Å; L239-F336 HydrophobicContact CG-CZ 4.26Å; E242-F336 HydrophobicContact CB-CE2 4.5Å; E242-F336 HydrophobicContact CB-CZ 3.94Å; E242-F336 HydrophobicContact CG-CE2 4.11Å; E242-F336 HydrophobicContact CG-CZ 4.04Å; L327-F336 HydrophobicContact CD1-CB 3.66Å; L327-F336 HydrophobicContact CD1-CD2 3.63Å; L327-F336 HydrophobicContact CD1-CE2 4.46Å; L327-F336 HydrophobicContact CD1-CG 3.76Å; L327-F336 HydrophobicContact CD2-CD2 3.42Å; L327-F336 VanDerWaalsContact CD2-CD2 3.42Å; L327-F336 HydrophobicContact CD2-CE2 3.45Å; L327-F336 VanDerWaalsContact CD2-CE2 3.45Å; L327-F336 HydrophobicContact CD2-CG 4.26Å; L327-F336 HydrophobicContact CD2-CZ 4.3Å; L327-F336 HydrophobicContact CG-CD2 4.14Å; R332-F336 HydrophobicContact CB-CE2 4.23Å; R332-F336 WeakPolarHBondContact O-CD2 3.49Å; T333-F336 PolarHBondContact O-N 2.79Å; T333-F336 VanDerWaalsContact O-N 3.17Å; F336-L338 VanDerWaalsContact C-N 3.28Å; F336-L338 PolarHBondContact O-N 3.23Å; F336-F339 HydrophobicContact CB-CB 4.49Å; F336-F339 PolarHBondContact O-N 3.27Å; F336-V340 WeakPolarHBondContact O-CB 3.4Å; F336-V340 WeakPolarHBondContact O-CG2 3.49Å; F336-V340 PolarHBondContact O-N 3.1Å
337P98.3Very high97.3Very high19 Ų1945.6 Ų45.612%0.12323%0.226CC..Hα-helixtrans-62.9-27.3-173.128-37.4000114.2E235 H335 A341 C358 L359 H362E235-P337 WeakPolarHBondContact OE1-CD 3.45Å; E235-P337 VanDerWaalsContact OE1-N 3.13Å; H335-P337 VanDerWaalsContact C-CD 3.46Å; P337-A341 WeakPolarHBondContact O-CB 3.43Å; P337-A341 PolarHBondContact O-N 3.49Å; P337-C358 WeakPolarHBondContact CB-O 3Å; P337-L359 HydrophobicContact CB-CD2 4.45Å; P337-L359 HydrophobicContact CG-CD2 4.31Å; P337-H362 HydrophobicContact CG-CB 4.2Å; P337-H362 WeakPolarHBondContact CG-CD2 3.35Å
338L98.7Very high96.9Very high0 Ų050.8 Ų50.80%025%0.253CS..Hα-helixtrans-68-53.8175.5-175.1147.4000110.9A211 V228 I231 E235 F336 V340 A341 V342 L359A211-L338 HydrophobicContact CB-CD1 4.26Å; A211-L338 HydrophobicContact CB-CD2 4.07Å; A211-L338 HydrophobicContact CB-CG 4.19Å; V228-L338 HydrophobicContact CG1-CD1 3.84Å; V228-L338 WeakPolarHBondContact O-CD1 3.36Å; I231-L338 HydrophobicContact CB-CD1 4.28Å; I231-L338 HydrophobicContact CG2-CB 4.12Å; I231-L338 HydrophobicContact CG2-CD1 3.85Å; E235-L338 VanDerWaalsContact CD-CB 3.49Å; E235-L338 WeakPolarHBondContact OE1-CA 3.34Å; E235-L338 WeakPolarHBondContact OE1-CB 3.47Å; E235-L338 PolarHBondContact OE1-N 3.16Å; E235-L338 PolarHBondContact OE2-N 3.15Å; F336-L338 VanDerWaalsContact C-N 3.28Å; F336-L338 PolarHBondContact O-N 3.23Å; L338-V340 VanDerWaalsContact C-N 3.28Å; L338-V340 PolarHBondContact O-N 3.02Å; L338-A341 PolarHBondContact O-N 3.22Å; L338-V342 HydrophobicContact CD2-CG2 4.34Å; L338-V342 WeakPolarHBondContact O-CG2 3.29Å; L338-V342 PolarHBondContact O-N 3.24Å; L338-L359 HydrophobicContact CB-CD2 3.71Å; L338-L359 HydrophobicContact CD1-CD1 4.4Å; L338-L359 HydrophobicContact CD1-CD2 4.49Å; L338-L359 HydrophobicContact CG-CD2 4.44Å
339F98.4Very high96.7Very high2 Ų253.8 Ų53.81%0.00926%0.26CS..Hα-helixtrans-61.8-39.3178.9-87-113.6000111.4L204 V207 V208 E235 V236 L239 I323 F336 H343L204-F339 HydrophobicContact CB-CE1 4.38Å; L204-F339 HydrophobicContact CB-CZ 4.15Å; L204-F339 HydrophobicContact CD2-CE1 4.25Å; V207-F339 HydrophobicContact CB-CD1 3.94Å; V207-F339 HydrophobicContact CB-CE1 3.53Å; V207-F339 HydrophobicContact CB-CZ 3.87Å; V207-F339 HydrophobicContact CG1-CD1 3.59Å; V207-F339 HydrophobicContact CG1-CD2 4.31Å; V207-F339 HydrophobicContact CG1-CE1 3.72Å; V207-F339 HydrophobicContact CG1-CE2 4.46Å; V207-F339 HydrophobicContact CG1-CG 3.91Å; V207-F339 HydrophobicContact CG1-CZ 4.18Å; V207-F339 HydrophobicContact CG2-CD1 4.02Å; V207-F339 HydrophobicContact CG2-CE1 3.6Å; V207-F339 HydrophobicContact CG2-CZ 4.35Å; V208-F339 HydrophobicContact CG2-CE2 3.96Å; V208-F339 HydrophobicContact CG2-CZ 4.16Å; E235-F339 HydrophobicContact CB-CD2 3.92Å; E235-F339 HydrophobicContact CB-CE2 3.98Å; E235-F339 WeakPolarHBondContact OE2-CD2 3.48Å; E235-F339 PolarHBondContact OE2-N 3.3Å; V236-F339 HydrophobicContact CG2-CE2 4.03Å; V236-F339 HydrophobicContact CG2-CZ 3.79Å; L239-F339 HydrophobicContact CD1-CD1 3.56Å; L239-F339 HydrophobicContact CD1-CD2 4.12Å; L239-F339 HydrophobicContact CD1-CE1 3.44Å; L239-F339 VanDerWaalsContact CD1-CE1 3.44Å; L239-F339 HydrophobicContact CD1-CE2 3.99Å; L239-F339 HydrophobicContact CD1-CG 3.92Å; L239-F339 HydrophobicContact CD1-CZ 3.66Å; I323-F339 HydrophobicContact CB-CD1 4.49Å; I323-F339 HydrophobicContact CD1-CD1 3.66Å; I323-F339 HydrophobicContact CD1-CE1 3.6Å; I323-F339 HydrophobicContact CG2-CD1 3.99Å; F336-F339 HydrophobicContact CB-CB 4.49Å; F336-F339 PolarHBondContact O-N 3.27Å; F339-H343 PolarHBondContact O-N 3.08Å
340V98.5Very high96.5Very high18 Ų1848.4 Ų48.411%0.10923%0.231CC..Hα-helixtrans-64.2-46.6174.7172.10000111.3Y324 T333 F336 L338 V342 H343 R344Y324-V340 HydrophobicContact CD2-CG1 4.2Å; Y324-V340 HydrophobicContact CD2-CG2 4.2Å; Y324-V340 HydrophobicContact CE2-CG1 4.18Å; T333-V340 HydrophobicContact CG2-CG2 4.12Å; F336-V340 WeakPolarHBondContact O-CB 3.4Å; F336-V340 WeakPolarHBondContact O-CG2 3.49Å; F336-V340 PolarHBondContact O-N 3.1Å; L338-V340 VanDerWaalsContact C-N 3.28Å; L338-V340 PolarHBondContact O-N 3.02Å; V340-V342 PolarHBondContact O-N 2.79Å; V340-H343 PolarHBondContact O-N 2.84Å; V340-R344 HydrophobicContact CG1-CG 4.32Å; V340-R344 VanDerWaalsContact O-CG 3.26Å; V340-R344 WeakPolarHBondContact O-CG 3.33Å; V340-R344 PolarHBondContact O-N 3.08Å
341A98.3Very high96.4Very high1 Ų149.9 Ų49.91%0.00824%0.241CC..Hα-helixtrans-62.3-44.9178.700000111.4P337 L338 H343 R344 I345 I350 L355 C358P337-A341 WeakPolarHBondContact O-CB 3.43Å; P337-A341 PolarHBondContact O-N 3.49Å; L338-A341 PolarHBondContact O-N 3.22Å; A341-H343 VanDerWaalsContact C-N 3.33Å; A341-H343 PolarHBondContact O-N 2.84Å; A341-R344 PolarHBondContact O-N 3.33Å; A341-I345 WeakPolarHBondContact O-CB 3.18Å; A341-I345 WeakPolarHBondContact O-CD1 3.49Å; A341-I345 WeakPolarHBondContact O-CG1 3.42Å; A341-I345 PolarHBondContact O-N 3.41Å; A341-I350 HydrophobicContact CB-CD1 4.38Å; A341-L355 HydrophobicContact CB-CD1 3.74Å; A341-C358 HydrophobicContact CB-CB 3.95Å
342V97.9Very high96.2Very high0 Ų039.4 Ų39.40%020%0.202CC..Hα-helixtrans-56.9-48.3175.6171.70000110.6V207 I210 A211 A320 L338 V340 R344 I345 C346V207-V342 HydrophobicContact CG1-CB 3.96Å; V207-V342 HydrophobicContact CG1-CG1 3.76Å; V207-V342 HydrophobicContact CG1-CG2 4.24Å; I210-V342 HydrophobicContact CB-CG1 4Å; I210-V342 HydrophobicContact CD1-CG1 4.35Å; I210-V342 HydrophobicContact CG2-CG1 3.71Å; A211-V342 HydrophobicContact CB-CG2 3.73Å; A320-V342 HydrophobicContact CB-CG1 4.1Å; L338-V342 HydrophobicContact CD2-CG2 4.34Å; L338-V342 WeakPolarHBondContact O-CG2 3.29Å; L338-V342 PolarHBondContact O-N 3.24Å; V340-V342 PolarHBondContact O-N 2.79Å; V342-R344 PolarHBondContact O-N 3.25Å; V342-I345 PolarHBondContact O-N 2.86Å; V342-C346 WeakPolarHBondContact O-CB 3.41Å; V342-C346 PolarHBondContact O-N 3.49Å; V342-C346 PolarHBondContact O-SG 3.44Å
343H97.4Very high96.1Very high7 Ų738.9 Ų38.93%0.03220%0.204CC..Hα-helixtrans-55.4-53.7176.2171.958.7000112.2A320 K321 Y324 F339 V340 A341 I345 C346 Q347A320-H343 HydrophobicContact CB-CB 4.07Å; K321-H343 VanDerWaalsContact CA-ND1 3.26Å; K321-H343 WeakPolarHBondContact CA-ND1 3.48Å; Y324-H343 VanDerWaalsContact CB-CD2 3.48Å; Y324-H343 WeakPolarHBondContact CB-CD2 3.37Å; Y324-H343 AromaticContact CD1-CD2 3.38Å; Y324-H343 WeakPolarHBondContact CD1-CD2 3.13Å; Y324-H343 AromaticContact CD1-NE2 3.32Å; Y324-H343 VanDerWaalsContact CD1-NE2 3.32Å; Y324-H343 WeakPolarHBondContact CD1-NE2 3.43Å; Y324-H343 AromaticContact CD2-CD2 3.54Å; Y324-H343 AromaticContact CE1-CD2 3.94Å; Y324-H343 AromaticContact CE1-NE2 3.79Å; Y324-H343 HydrophobicContact CG-CB 4.45Å; Y324-H343 AromaticContact CG-CD2 3.14Å; Y324-H343 AromaticContact CG-CG 3.83Å; Y324-H343 AromaticContact CG-NE2 3.63Å; F339-H343 PolarHBondContact O-N 3.08Å; V340-H343 PolarHBondContact O-N 2.84Å; A341-H343 VanDerWaalsContact C-N 3.33Å; A341-H343 PolarHBondContact O-N 2.84Å; H343-I345 VanDerWaalsContact C-N 3.31Å; H343-I345 PolarHBondContact O-N 2.99Å; H343-C346 WeakPolarHBondContact O-CB 3.43Å; H343-C346 PolarHBondContact O-N 2.67Å; H343-C346 VanDerWaalsContact O-N 3.1Å; H343-Q347 WeakPolarHBondContact CE1-CG 3.34Å; H343-Q347 WeakPolarHBondContact O-CG 3.47Å; H343-Q347 PolarHBondContact O-N 3.29Å
344R97Very high96Very high87 Ų8740.8 Ų40.833%0.32821%0.209SC..Hα-helixtrans-62.6-38-177.1-66.3177.369.9-159.2-0.2111.9V340 A341 V342 Q347 N348 E349 I350V340-R344 HydrophobicContact CG1-CG 4.32Å; V340-R344 VanDerWaalsContact O-CG 3.26Å; V340-R344 WeakPolarHBondContact O-CG 3.33Å; V340-R344 PolarHBondContact O-N 3.08Å; A341-R344 PolarHBondContact O-N 3.33Å; V342-R344 PolarHBondContact O-N 3.25Å; R344-Q347 PolarHBondContact O-N 2.97Å; R344-N348 PolarHBondContact O-N 3.34Å; R344-E349 HydrophobicContact CB-CB 4.1Å; R344-E349 WeakPolarHBondContact CG-OE2 3.36Å; R344-E349 IonicContact NE-OE2 3.99Å; R344-E349 PolarHBondContact O-N 3.19Å; R344-I350 HydrophobicContact CB-CD1 3.84Å; R344-I350 HydrophobicContact CB-CG1 3.78Å; R344-I350 HydrophobicContact CB-CG2 4.45Å
345I95.2Very high96Very high0 Ų038 Ų380%018%0.18CC..Hα-helixtrans-64.7-42.8174.2-69.5164.3000110.7I214 L291 R298 A341 V342 H343 Q347 N348 I350 P352 L355I214-I345 HydrophobicContact CD1-CD1 4.02Å; I214-I345 HydrophobicContact CD1-CG2 3.96Å; L291-I345 HydrophobicContact CD1-CG2 4.46Å; R298-I345 PolarHBondContact NH1-O 3.04Å; R298-I345 PolarHBondContact NH2-O 2.7Å; A341-I345 WeakPolarHBondContact O-CB 3.18Å; A341-I345 WeakPolarHBondContact O-CD1 3.49Å; A341-I345 WeakPolarHBondContact O-CG1 3.42Å; A341-I345 PolarHBondContact O-N 3.41Å; V342-I345 PolarHBondContact O-N 2.86Å; H343-I345 VanDerWaalsContact C-N 3.31Å; H343-I345 PolarHBondContact O-N 2.99Å; I345-Q347 VanDerWaalsContact C-N 3.28Å; I345-Q347 PolarHBondContact O-N 3.49Å; I345-N348 PolarHBondContact O-N 3.07Å; I345-I350 HydrophobicContact CD1-CD1 4.49Å; I345-I350 HydrophobicContact CG1-CD1 3.96Å; I345-I350 HydrophobicContact CG1-CG1 3.58Å; I345-P352 HydrophobicContact CG2-CB 4.39Å; I345-P352 HydrophobicContact CG2-CG 4.09Å; I345-L355 HydrophobicContact CD1-CB 3.96Å; I345-L355 HydrophobicContact CD1-CD1 4.26Å
346C93.3Very high96Very high10 Ų1038.5 Ų38.57%0.06818%0.184CC..Hα-helixtrans-64.7-30.2176.1-72.60000112.8I301 A317 V342 H343I301-C346 HydrophobicContact CD1-CB 3.44Å; I301-C346 VanDerWaalsContact CD1-CB 3.44Å; A317-C346 HydrophobicContact CB-CB 4.09Å; V342-C346 WeakPolarHBondContact O-CB 3.41Å; V342-C346 PolarHBondContact O-N 3.49Å; V342-C346 PolarHBondContact O-SG 3.44Å; H343-C346 WeakPolarHBondContact O-CB 3.43Å; H343-C346 PolarHBondContact O-N 2.67Å; H343-C346 VanDerWaalsContact O-N 3.1Å
347Q92.6Very high95.9Very high78 Ų7841.2 Ų41.236%0.36421%0.206SC..THydrogen-bonded Turntrans-870.2175.1-60.5-48-68.400114H343 R344 I345 E349H343-Q347 WeakPolarHBondContact CE1-CG 3.34Å; H343-Q347 WeakPolarHBondContact O-CG 3.47Å; H343-Q347 PolarHBondContact O-N 3.29Å; R344-Q347 PolarHBondContact O-N 2.97Å; I345-Q347 VanDerWaalsContact C-N 3.28Å; I345-Q347 PolarHBondContact O-N 3.49Å; Q347-E349 HydrophobicContact CB-CG 3.9Å; Q347-E349 PolarHBondContact O-N 3.36Å
348N90.4Very high95.9Very high110 Ų11041.8 Ų41.859%0.58821%0.21SC*.THydrogen-bonded Turntrans60.324.2-171.1-57-68.7000114.5R298 R344 I345R298-N348 WeakPolarHBondContact CD-OD1 3.22Å; R298-N348 PolarHBondContact NH1-OD1 2.8Å; R344-N348 PolarHBondContact O-N 3.34Å; I345-N348 PolarHBondContact O-N 3.07Å
349E93.5Very high95.8Very high105 Ų10542.2 Ų42.249%0.49121%0.212SC..SBendtrans-79-28.2177-67.5175.8-169.400112.6R344 Q347R344-E349 HydrophobicContact CB-CB 4.1Å; R344-E349 WeakPolarHBondContact CG-OE2 3.36Å; R344-E349 IonicContact NE-OE2 3.99Å; R344-E349 PolarHBondContact O-N 3.19Å; Q347-E349 HydrophobicContact CB-CG 3.9Å; Q347-E349 PolarHBondContact O-N 3.36Å
350I94.5Very high95.7Very high11 Ų1149.2 Ų49.26%0.05625%0.245CC..SBendtrans-135.8160.4172.567-178.7000110.1A341 R344 I345 E354A341-I350 HydrophobicContact CB-CD1 4.38Å; R344-I350 HydrophobicContact CB-CD1 3.84Å; R344-I350 HydrophobicContact CB-CG1 3.78Å; R344-I350 HydrophobicContact CB-CG2 4.45Å; I345-I350 HydrophobicContact CD1-CD1 4.49Å; I345-I350 HydrophobicContact CG1-CD1 3.96Å; I345-I350 HydrophobicContact CG1-CG1 3.58Å; I350-E354 HydrophobicContact CB-CB 4.45Å; I350-E354 HydrophobicContact CD1-CB 4.42Å
351K94.2Very high95.3Very high138 Ų13853.3 Ų53.360%0.628%0.275SS*.  trans-78.8149177.1-61.8-176.9179.5177.90111.1Q353 E354K351-Q353 PolarHBondContact O-N 2.68Å; K351-Q353 VanDerWaalsContact O-N 3.13Å; K351-E354 HydrophobicContact CB-CG 4.34Å; K351-E354 PolarHBondContact N-OE1 3.37Å; K351-E354 WeakPolarHBondContact O-CB 3.26Å; K351-E354 PolarHBondContact O-N 2.94Å
352P94.4Very high95.2Very high9 Ų953.4 Ų53.46%0.05828%0.275CS..G310 helixtrans-53.2-33.6174.3-23.530.8000113.8I214 L218 L291 I345 E354 L355I214-P352 HydrophobicContact CG2-CB 3.99Å; L218-P352 HydrophobicContact CD1-CB 4.07Å; L218-P352 WeakPolarHBondContact CD1-O 3.49Å; L218-P352 HydrophobicContact CD2-CB 4.4Å; L218-P352 HydrophobicContact CG-CB 4.47Å; L291-P352 WeakPolarHBondContact O-CG 3.33Å; I345-P352 HydrophobicContact CG2-CB 4.39Å; I345-P352 HydrophobicContact CG2-CG 4.09Å; P352-E354 PolarHBondContact O-N 2.93Å; P352-L355 WeakPolarHBondContact O-CB 3.44Å; P352-L355 PolarHBondContact O-N 2.99Å
353Q94.8Very high95.1Very high78 Ų7855.4 Ų55.436%0.36429%0.288SS..G310 helixtrans-63.7-20.5178.2-63.981.76.800113.4L218 N294 K351 L355L218-Q353 HydrophobicContact CD1-CG 4.49Å; L218-Q353 HydrophobicContact CD2-CG 4.04Å; N294-Q353 PolarHBondContact ND2-NE2 3.2Å; N294-Q353 PolarHBondContact OD1-NE2 3.05Å; K351-Q353 PolarHBondContact O-N 2.68Å; K351-Q353 VanDerWaalsContact O-N 3.13Å; Q353-L355 VanDerWaalsContact C-N 3.26Å; Q353-L355 PolarHBondContact O-N 3.44Å
354E96.1Very high94.9Very high86 Ų8656.7 Ų56.740%0.40229%0.294SS..G310 helixtrans-80.5-6.4177.3-60.9178.9-104.100112.5I350 K351 P352 I356 A357 C358I350-E354 HydrophobicContact CB-CB 4.45Å; I350-E354 HydrophobicContact CD1-CB 4.42Å; K351-E354 HydrophobicContact CB-CG 4.34Å; K351-E354 PolarHBondContact N-OE1 3.37Å; K351-E354 WeakPolarHBondContact O-CB 3.26Å; K351-E354 PolarHBondContact O-N 2.94Å; P352-E354 PolarHBondContact O-N 2.93Å; E354-I356 VanDerWaalsContact C-N 3.33Å; E354-I356 PolarHBondContact O-N 3.01Å; E354-A357 PolarHBondContact O-N 2.89Å; E354-C358 PolarHBondContact O-N 3.03Å; E354-C358 PolarHBondContact O-SG 2.98Å
355L97.5Very high94.7Very high0 Ų058 Ų580%030%0.304CS..Hα-helixtrans-52.7-50.8177.9177.961.7000111.1I214 A341 I345 P352 Q353 A357 C358 L359I214-L355 HydrophobicContact CB-CD2 4.01Å; I214-L355 HydrophobicContact CG2-CD2 3.68Å; A341-L355 HydrophobicContact CB-CD1 3.74Å; I345-L355 HydrophobicContact CD1-CB 3.96Å; I345-L355 HydrophobicContact CD1-CD1 4.26Å; P352-L355 WeakPolarHBondContact O-CB 3.44Å; P352-L355 PolarHBondContact O-N 2.99Å; Q353-L355 VanDerWaalsContact C-N 3.26Å; Q353-L355 PolarHBondContact O-N 3.44Å; L355-A357 PolarHBondContact O-N 3.23Å; L355-C358 WeakPolarHBondContact O-CB 3.24Å; L355-C358 PolarHBondContact O-N 3.16Å; L355-L359 HydrophobicContact CD1-CD1 4.38Å; L355-L359 HydrophobicContact CG-CD1 4.41Å; L355-L359 WeakPolarHBondContact O-CG 3.43Å; L355-L359 PolarHBondContact O-N 3.23Å
356I97.4Very high94.3Very high50 Ų5064.9 Ų64.926%0.25636%0.361SS..Hα-helixtrans-68.8-37.4-176.4-55.9-51.1000111.7L220 T224 V228 E354 C358 L359 Q360L220-I356 HydrophobicContact CD1-CD1 3.86Å; L220-I356 HydrophobicContact CD1-CG1 3.68Å; T224-I356 HydrophobicContact CG2-CD1 3.44Å; T224-I356 VanDerWaalsContact CG2-CD1 3.44Å; T224-I356 HydrophobicContact CG2-CG1 4.11Å; V228-I356 HydrophobicContact CG2-CD1 4.1Å; E354-I356 VanDerWaalsContact C-N 3.33Å; E354-I356 PolarHBondContact O-N 3.01Å; I356-C358 PolarHBondContact O-N 3.4Å; I356-L359 PolarHBondContact O-N 3.49Å; I356-Q360 WeakPolarHBondContact O-CG 3.18Å; I356-Q360 PolarHBondContact O-N 3.37Å
357A96.8Very high94.3Very high56 Ų5667.6 Ų67.646%0.46338%0.375SS..Hα-helixtrans-59.5-38175.100000111.5E354 L355 L359E354-A357 PolarHBondContact O-N 2.89Å; L355-A357 PolarHBondContact O-N 3.23Å; A357-L359 PolarHBondContact O-N 3.41Å
358C96.5Very high94.4Very high31 Ų3167.1 Ų67.121%0.20938%0.376CS..Hα-helixtrans-63.8-27.9174.1-60.50000113.1P337 A341 E354 L355 I356P337-C358 WeakPolarHBondContact CB-O 3Å; A341-C358 HydrophobicContact CB-CB 3.95Å; E354-C358 PolarHBondContact O-N 3.03Å; E354-C358 PolarHBondContact O-SG 2.98Å; L355-C358 WeakPolarHBondContact O-CB 3.24Å; L355-C358 PolarHBondContact O-N 3.16Å; I356-C358 PolarHBondContact O-N 3.4Å
359L97.4Very high94.7Very high9 Ų964.7 Ų64.75%0.04736%0.364CS..Hα-helixtrans-94.5-15.7-175.4-58.7179.8000113.9V228 I231 P337 L338 L355 I356 A357 S361 H362V228-L359 HydrophobicContact CG2-CD1 3.72Å; I231-L359 HydrophobicContact CD1-CB 4.27Å; I231-L359 HydrophobicContact CD1-CD1 4.38Å; I231-L359 HydrophobicContact CG2-CD2 4.26Å; P337-L359 HydrophobicContact CB-CD2 4.45Å; P337-L359 HydrophobicContact CG-CD2 4.31Å; L338-L359 HydrophobicContact CB-CD2 3.71Å; L338-L359 HydrophobicContact CD1-CD1 4.4Å; L338-L359 HydrophobicContact CD1-CD2 4.49Å; L338-L359 HydrophobicContact CG-CD2 4.44Å; L355-L359 HydrophobicContact CD1-CD1 4.38Å; L355-L359 HydrophobicContact CG-CD1 4.41Å; L355-L359 WeakPolarHBondContact O-CG 3.43Å; L355-L359 PolarHBondContact O-N 3.23Å; I356-L359 PolarHBondContact O-N 3.49Å; A357-L359 PolarHBondContact O-N 3.41Å; L359-S361 VanDerWaalsContact C-N 3.25Å; L359-S361 PolarHBondContact O-N 2.94Å; L359-H362 WeakPolarHBondContact O-CB 3.33Å; L359-H362 PolarHBondContact O-N 3.05Å; L359-H362 VanDerWaalsContact O-N 3.09Å
360Q95.2Very high94.7Very high149 Ų14962.3 Ų62.370%0.69636%0.357SS*.Hα-helixtrans-61.3-33.1-179.2-80.8174.6-21.900113.2I356I356-Q360 WeakPolarHBondContact O-CG 3.18Å; I356-Q360 PolarHBondContact O-N 3.37Å
361S90.1Very high94.7Very high105 Ų10565.5 Ų65.573%0.73438%0.375SS*.THydrogen-bonded Turntrans-103.424.5176.355.50000112.8L359L359-S361 VanDerWaalsContact C-N 3.25Å; L359-S361 PolarHBondContact O-N 2.94Å
362H97.1Very high94.8Very high2 Ų260.7 Ų60.71%0.00936%0.36CS..  trans-59.3135.7-178-170.4-59.2000111.2I231 W234 E235 P337 L359 I364 H365I231-H362 WeakPolarHBondContact CG2-CD2 3.26Å; I231-H362 WeakPolarHBondContact CG2-NE2 3.44Å; W234-H362 AromaticContact CE3-CE1 3.46Å; W234-H362 VanDerWaalsContact CE3-CE1 3.46Å; W234-H362 AromaticContact CZ3-CE1 3.38Å; W234-H362 WeakPolarHBondContact CZ3-CE1 3.35Å; E235-H362 IonicContact OE1-CD2 2.91Å; E235-H362 IonicContact OE1-NE2 3.88Å; E235-H362 PolarHBondContact OE1-NE2 2.76Å; P337-H362 HydrophobicContact CG-CB 4.2Å; P337-H362 WeakPolarHBondContact CG-CD2 3.35Å; L359-H362 WeakPolarHBondContact O-CB 3.33Å; L359-H362 PolarHBondContact O-N 3.05Å; L359-H362 VanDerWaalsContact O-N 3.09Å; H362-I364 HydrophobicContact CB-CG2 4.1Å; H362-I364 WeakPolarHBondContact ND1-CB 3.4Å; H362-I364 VanDerWaalsContact ND1-CG2 3.26Å; H362-I364 WeakPolarHBondContact ND1-CG2 3.49Å; H362-I364 PolarHBondContact ND1-N 3.23Å; H362-I364 PolarHBondContact O-N 2.82Å; H362-H365 WeakPolarHBondContact O-CB 3.28Å; H362-H365 PolarHBondContact O-N 3.05Å
363P95.5Very high94.8Very high42 Ų4264.4 Ų64.427%0.27338%0.382SS..THydrogen-bonded Turntrans-54.8-9.8178.8-28.333.2000117.3W234 G334 H365W234-P363 HydrophobicContact CH2-CB 4.38Å; G334-P363 WeakPolarHBondContact O-CG 3.28Å; P363-H365 VanDerWaalsContact C-N 3.27Å
364I94.2Very high94.8Very high34 Ų3463.3 Ų63.317%0.17438%0.383CS..THydrogen-bonded Turntrans-83.1-13.1179.4-160.8170.9000111.3I231 W234 H362I231-I364 HydrophobicContact CG1-CG2 4.3Å; W234-I364 HydrophobicContact CB-CD1 3.41Å; W234-I364 VanDerWaalsContact CB-CD1 3.41Å; W234-I364 HydrophobicContact CD2-CB 4.36Å; W234-I364 HydrophobicContact CD2-CD1 3.69Å; W234-I364 HydrophobicContact CD2-CG1 4.12Å; W234-I364 HydrophobicContact CE3-CD1 4.46Å; W234-I364 HydrophobicContact CG-CD1 3.19Å; W234-I364 HydrophobicContact CG-CG1 4.02Å; H362-I364 HydrophobicContact CB-CG2 4.1Å; H362-I364 WeakPolarHBondContact ND1-CB 3.4Å; H362-I364 VanDerWaalsContact ND1-CG2 3.26Å; H362-I364 WeakPolarHBondContact ND1-CG2 3.49Å; H362-I364 PolarHBondContact ND1-N 3.23Å; H362-I364 PolarHBondContact O-N 2.82Å
365H92.5Very high94.7Very high116 Ų11661.4 Ų61.454%0.53738%0.382SS..  trans-104-7.6178.9-60.4-50.5000112.5R230 H362 P363R230-H365 PolarHBondContact NH2-CE1 3.02Å; R230-H365 VanDerWaalsContact NH2-CE1 3.32Å; H362-H365 WeakPolarHBondContact O-CB 3.28Å; H362-H365 PolarHBondContact O-N 3.05Å; P363-H365 VanDerWaalsContact C-N 3.27Å
366A86.4Confident94.5Very high143 Ų14367 Ų67100%1.18242%0.417SS*.  trans-82.70169.600000109.4

Retrieved 366 of 366 residues in 87.4 ms (Link to these results)

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