A0A096M4H2_POEFO Loading...

SLX4 interacting protein

AlphaFold DB , UniProt , Accession A0A096M4H2, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 411 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
1M31.5Very low39.2Very low244 Ų244136.8 Ų136.8100%1.20274%0.737SS**  0131.60-74.4153.968.900107.4
2L28.5Very low41.8Very low154 Ų154129.1 Ų129.181%0.80670%0.699SS**  trans-75.7139.8-179.2-71.693.7000110.1Q4L2-Q4 HydrophobicContact CB-CB 4.04Å; L2-Q4 PolarHBondContact O-N 2.86Å
3L29.7Very low45Very low181 Ų181127.5 Ų127.595%0.94868%0.682SS**  trans-7170.1156.8-88.7155.1000108.6
4Q38Very low48.2Very low148 Ų148127.9 Ų127.969%0.69268%0.675SS**  trans-11948171.1-165.784.922.500108.1L2 C6L2-Q4 HydrophobicContact CB-CB 4.04Å; L2-Q4 PolarHBondContact O-N 2.86Å; Q4-C6 PolarHBondContact O-N 3.49Å
5M35.8Very low51.1Low157 Ų157122.3 Ų122.377%0.77364%0.643SS**  trans-71124.4155.4-66.7-134.9-52.800106.5C7M5-C7 VanDerWaalsContact C-N 3.27Å; M5-C7 PolarHBondContact O-N 2.75Å
6C33Very low53.7Low113 Ų113120 Ų12076%0.76464%0.635SS**  trans-66.188.1177.1-64.20000109.8Q4 E8Q4-C6 PolarHBondContact O-N 3.49Å; C6-E8 PolarHBondContact O-N 3.38Å
7C41.3Very low56.1Low84 Ų84114 Ų11457%0.56860%0.603SS**  trans-72.780.8160.7-68.10000108M5 A9M5-C7 VanDerWaalsContact C-N 3.27Å; M5-C7 PolarHBondContact O-N 2.75Å; C7-A9 HydrophobicContact CB-CB 4.34Å; C7-A9 PolarHBondContact O-N 3.42Å
8E37.1Very low58.1Low185 Ų185114.1 Ų114.186%0.86460%0.598SS**  trans-68.367.5151.1-71.8-170.5137.600107.9C6C6-E8 PolarHBondContact O-N 3.38Å
9A46.5Very low59.9Low32 Ų32109 Ų10926%0.26457%0.572SS.*  trans-80.7140.417800000109.1C7C7-A9 HydrophobicContact CB-CB 4.34Å; C7-A9 PolarHBondContact O-N 3.42Å
10M52.8Low61.4Low107 Ų107106.4 Ų106.453%0.52757%0.573SS.*  trans-47.7157.9163-78.6-172.364.400111.8P12 T39M10-P12 WeakPolarHBondContact O-CD 3.41Å; M10-T39 PolarHBondContact SD-OG1 3.44Å
11S57.3Low62.7Low100 Ų100106.2 Ų106.270%0.69957%0.572SS**SBendtrans-35.4110.6170.2168.20000111.5F13S11-F13 PolarHBondContact O-N 3.26Å
12P69.6Low65.6Low44 Ų4495.1 Ų95.129%0.28652%0.517SS..  trans-63131-174.622.6-32.5000110.4M10 L28M10-P12 WeakPolarHBondContact O-CD 3.41Å; P12-L28 CarbonylContact C-O 3.56Å; P12-L28 WeakPolarHBondContact CA-O 3.33Å
13F83.4Confident68.6Low108 Ų10888.1 Ų88.147%0.47448%0.481SS..EExtended strand (participates in β ladder)trans-66.7137.3173.8-66.6-80.4000108.7S11 L28 V30S11-F13 PolarHBondContact O-N 3.26Å; F13-L28 HydrophobicContact CB-CB 4.17Å; F13-L28 HydrophobicContact CB-CD2 4.33Å; F13-L28 HydrophobicContact CB-CG 4.46Å; F13-L28 PolarHBondContact N-O 3.49Å; F13-L28 WeakPolarHBondContact O-CB 3.44Å; F13-L28 PolarHBondContact O-N 3.45Å; F13-V30 HydrophobicContact CD2-CG2 4.42Å; F13-V30 HydrophobicContact CE2-CG2 4.49Å
14K90.8Very high71.6Confident134 Ų13479.5 Ų79.558%0.58344%0.436SS*.EExtended strand (participates in β ladder)trans-129126.9-178.2-69.2179.8-174.6170.70110.1L25 V26 D27K14-L25 HydrophobicContact CB-CD1 4.43Å; K14-V26 WeakPolarHBondContact CA-O 3.41Å; K14-D27 WeakPolarHBondContact CD-OD1 3.32Å; K14-D27 WeakPolarHBondContact CE-OD1 3.44Å; K14-D27 WeakPolarHBondContact CG-OD1 3.42Å
15F91.9Very high74.3Confident43 Ų4374.2 Ų74.219%0.18941%0.412CS..EExtended strand (participates in β ladder)trans-136.8168.1174.965.4-85.9000110.3I17 V26 L28 A51 V54F15-I17 HydrophobicContact CD2-CG1 4.16Å; F15-I17 HydrophobicContact CE2-CD1 3.98Å; F15-I17 HydrophobicContact CE2-CG1 3.85Å; F15-V26 HydrophobicContact CD1-CB 4.13Å; F15-V26 HydrophobicContact CD1-CG1 4.33Å; F15-V26 HydrophobicContact CD2-CB 4.15Å; F15-V26 HydrophobicContact CD2-CG2 4.21Å; F15-V26 HydrophobicContact CE1-CB 3.89Å; F15-V26 HydrophobicContact CE1-CG1 3.64Å; F15-V26 HydrophobicContact CE2-CB 3.92Å; F15-V26 HydrophobicContact CE2-CG1 4.17Å; F15-V26 HydrophobicContact CE2-CG2 3.85Å; F15-V26 HydrophobicContact CG-CB 4.26Å; F15-V26 HydrophobicContact CZ-CB 3.79Å; F15-V26 HydrophobicContact CZ-CG1 3.56Å; F15-V26 HydrophobicContact CZ-CG2 4.1Å; F15-V26 PolarHBondContact N-O 3.34Å; F15-V26 PolarHBondContact O-N 2.97Å; F15-L28 HydrophobicContact CE1-CB 4.12Å; F15-L28 HydrophobicContact CE1-CD2 4.16Å; F15-A51 HydrophobicContact CE2-CB 3.8Å; F15-A51 HydrophobicContact CZ-CB 4.08Å; F15-V54 HydrophobicContact CZ-CG2 4.39Å
16V92.1Very high77.1Confident86 Ų8666.7 Ų66.752%0.52138%0.375SS..EExtended strand (participates in β ladder)trans-123.4124.4-175.9177.70000109.2A23 V24 L25V16-A23 HydrophobicContact CG1-CB 3.79Å; V16-V24 WeakPolarHBondContact CA-O 3.32Å; V16-L25 HydrophobicContact CG2-CD1 4.24Å
17I93.6Very high80Confident18 Ų1861.5 Ų61.59%0.09234%0.34CS..EExtended strand (participates in β ladder)trans-92.9125.6170.2-62.6177.2000108.1F15 V24 V26 V54 V58F15-I17 HydrophobicContact CD2-CG1 4.16Å; F15-I17 HydrophobicContact CE2-CD1 3.98Å; F15-I17 HydrophobicContact CE2-CG1 3.85Å; I17-V24 PolarHBondContact N-O 3.35Å; I17-V24 PolarHBondContact O-N 3.47Å; I17-V26 HydrophobicContact CD1-CG2 3.77Å; I17-V26 HydrophobicContact CG1-CG2 3.91Å; I17-V54 HydrophobicContact CD1-CG2 3.57Å; I17-V58 HydrophobicContact CB-CG1 4.39Å; I17-V58 HydrophobicContact CD1-CG2 4.28Å; I17-V58 HydrophobicContact CG2-CG1 4.04Å
18K93.4Very high82.4Confident116 Ų11657.5 Ų57.550%0.50431%0.313SS..EExtended strand (participates in β ladder)trans-90.1112.9172178172.8171.2170.60109.2Q113 L115K18-Q113 VanDerWaalsContact NZ-OE1 3.13Å; K18-L115 HydrophobicContact CD-CD1 4.22Å; K18-L115 HydrophobicContact CD-CD2 4.36Å; K18-L115 HydrophobicContact CG-CD2 4.41Å
19C92.2Very high85.1Confident17 Ų1751 Ų5112%0.11528%0.282CS..EExtended strand (participates in β ladder)trans-116.1104.1174.31780000109N21 F22 D59 V62C19-N21 PolarHBondContact O-N 3.34Å; C19-N21 VanDerWaalsContact O-N 3.14Å; C19-F22 PolarHBondContact N-O 3.08Å; C19-F22 WeakPolarHBondContact O-CA 3.38Å; C19-F22 PolarHBondContact O-N 3.18Å; C19-D59 WeakPolarHBondContact CB-OD1 3.4Å; C19-D59 PolarHBondContact SG-OD1 3.38Å; C19-V62 HydrophobicContact CB-CB 4.26Å; C19-V62 HydrophobicContact CB-CG1 4.26Å; C19-V62 HydrophobicContact CB-CG2 3.95Å
20G88.8Confident87.2Confident57 Ų5750 Ų5059%0.58827%0.273SS*.THydrogen-bonded Turntrans53.9-118.4-177.700000112.6F22G20-F22 VanDerWaalsContact C-N 3.32Å
21N90.1Very high88.8Confident103 Ų10347.3 Ų47.355%0.55126%0.261SS*.THydrogen-bonded Turntrans-86.42.2177.5-66.5-46.6000114C19 R116C19-N21 PolarHBondContact O-N 3.34Å; C19-N21 VanDerWaalsContact O-N 3.14Å; N21-R116 PolarHBondContact O-N 2.88Å
22F91.4Very high89.9Confident10 Ų1045.2 Ų45.24%0.04424%0.244CC..EExtended strand (participates in β ladder)trans-111.2143.1-177.6-72.3-84.1000112.9C19 G20 V62 Y65 E66 L69 R116 F118C19-F22 PolarHBondContact N-O 3.08Å; C19-F22 WeakPolarHBondContact O-CA 3.38Å; C19-F22 PolarHBondContact O-N 3.18Å; G20-F22 VanDerWaalsContact C-N 3.32Å; F22-V62 HydrophobicContact CB-CG1 4Å; F22-V62 HydrophobicContact CB-CG2 4.41Å; F22-V62 HydrophobicContact CD2-CG1 3.61Å; F22-V62 HydrophobicContact CE2-CG1 4.45Å; F22-V62 HydrophobicContact CG-CG1 4.04Å; F22-Y65 AromaticContact CE1-CD1 3.98Å; F22-Y65 HydrophobicContact CE1-CD1 3.98Å; F22-Y65 AromaticContact CE1-CE1 3.66Å; F22-Y65 HydrophobicContact CE1-CE1 3.66Å; F22-Y65 HydrophobicContact CE2-CD1 4.41Å; F22-Y65 AromaticContact CZ-CD1 3.8Å; F22-Y65 HydrophobicContact CZ-CD1 3.8Å; F22-Y65 AromaticContact CZ-CE1 3.7Å; F22-Y65 HydrophobicContact CZ-CE1 3.7Å; F22-E66 HydrophobicContact CD2-CG 4.32Å; F22-E66 HydrophobicContact CE2-CG 3.7Å; F22-E66 VanDerWaalsContact CE2-OE1 3.32Å; F22-E66 WeakPolarHBondContact CE2-OE1 3.42Å; F22-L69 HydrophobicContact CZ-CD1 4.2Å; F22-R116 CarbonylContact C-O 3.59Å; F22-R116 WeakPolarHBondContact CA-O 3.44Å; F22-R116 HydrophobicContact CD1-CB 3.68Å; F22-R116 WeakPolarHBondContact CD1-O 3.36Å; F22-R116 HydrophobicContact CE1-CB 3.55Å; F22-R116 HydrophobicContact CG-CB 4.49Å; F22-R116 HydrophobicContact CZ-CB 4.27Å; F22-F118 HydrophobicContact CB-CB 4.5Å; F22-F118 HydrophobicContact CB-CD2 4.47Å; F22-F118 HydrophobicContact CD1-CB 4.3Å; F22-F118 HydrophobicContact CD1-CD2 4Å; F22-F118 HydrophobicContact CG-CD2 4.23Å
23A92.7Very high90Very high7 Ų747.8 Ų47.86%0.05826%0.255CS..EExtended strand (participates in β ladder)trans-110.3120.2167.300000108.6V16 R116 L117 F118V16-A23 HydrophobicContact CG1-CB 3.79Å; A23-R116 PolarHBondContact N-O 3.19Å; A23-L117 HydrophobicContact CB-CD2 3.78Å; A23-L117 WeakPolarHBondContact O-CA 3.45Å; A23-F118 PolarHBondContact O-N 2.96Å
24V93Very high89.1Confident0 Ų046.8 Ų46.80%028%0.275CS..EExtended strand (participates in β ladder)trans-107.3120.6-175.7-179.10000108V16 I17 V58 V62 F118V16-V24 WeakPolarHBondContact CA-O 3.32Å; I17-V24 PolarHBondContact N-O 3.35Å; I17-V24 PolarHBondContact O-N 3.47Å; V24-V58 HydrophobicContact CB-CG1 3.88Å; V24-V58 HydrophobicContact CG1-CG1 3.91Å; V24-V58 HydrophobicContact CG1-CG2 4.35Å; V24-V58 HydrophobicContact CG2-CG1 3.68Å; V24-V62 HydrophobicContact CG2-CG2 3.69Å; V24-F118 HydrophobicContact CB-CB 4.33Å; V24-F118 HydrophobicContact CG1-CD1 4.48Å; V24-F118 HydrophobicContact CG2-CB 3.59Å; V24-F118 HydrophobicContact CG2-CD1 4.22Å; V24-F118 HydrophobicContact CG2-CG 3.88Å
25L93.4Very high87.7Confident37 Ų3742.9 Ų42.919%0.19427%0.265CS..EExtended strand (participates in β ladder)trans-80126.1176.6179.566000109.3K14 V16 Y122K14-L25 HydrophobicContact CB-CD1 4.43Å; V16-L25 HydrophobicContact CG2-CD1 4.24Å; L25-Y122 PolarHBondContact O-N 3.29Å
26V94.2Very high86.1Confident0 Ų045.3 Ų45.30%029%0.285CS..EExtended strand (participates in β ladder)trans-106.7120.4173.4-170.50000108.9K14 F15 I17 Y122 V124K14-V26 WeakPolarHBondContact CA-O 3.41Å; F15-V26 HydrophobicContact CD1-CB 4.13Å; F15-V26 HydrophobicContact CD1-CG1 4.33Å; F15-V26 HydrophobicContact CD2-CB 4.15Å; F15-V26 HydrophobicContact CD2-CG2 4.21Å; F15-V26 HydrophobicContact CE1-CB 3.89Å; F15-V26 HydrophobicContact CE1-CG1 3.64Å; F15-V26 HydrophobicContact CE2-CB 3.92Å; F15-V26 HydrophobicContact CE2-CG1 4.17Å; F15-V26 HydrophobicContact CE2-CG2 3.85Å; F15-V26 HydrophobicContact CG-CB 4.26Å; F15-V26 HydrophobicContact CZ-CB 3.79Å; F15-V26 HydrophobicContact CZ-CG1 3.56Å; F15-V26 HydrophobicContact CZ-CG2 4.1Å; F15-V26 PolarHBondContact N-O 3.34Å; F15-V26 PolarHBondContact O-N 2.97Å; I17-V26 HydrophobicContact CD1-CG2 3.77Å; I17-V26 HydrophobicContact CG1-CG2 3.91Å; V26-Y122 CarbonylContact C-O 3.59Å; V26-Y122 VanDerWaalsContact CA-O 3.27Å; V26-Y122 WeakPolarHBondContact CA-O 3.23Å; V26-Y122 HydrophobicContact CG1-CD1 4.49Å; V26-V124 HydrophobicContact CG1-CB 4.38Å; V26-V124 HydrophobicContact CG1-CG2 3.55Å
27D93.7Very high84.3Confident4 Ų448.5 Ų48.52%0.02129%0.294CS..EExtended strand (participates in β ladder)trans-98.3106.1171.4-70.7-27.4000107.7K14 R121 Y122 V123 V124K14-D27 WeakPolarHBondContact CD-OD1 3.32Å; K14-D27 WeakPolarHBondContact CE-OD1 3.44Å; K14-D27 WeakPolarHBondContact CG-OD1 3.42Å; D27-R121 WeakPolarHBondContact OD2-CD 3.48Å; D27-R121 IonicContact OD2-CZ 2.69Å; D27-R121 IonicContact OD2-NE 2.9Å; D27-R121 IonicContact OD2-NH1 3.95Å; D27-R121 PolarHBondContact OD2-NH1 3.14Å; D27-Y122 PolarHBondContact N-O 3.48Å; D27-V123 HydrophobicContact CB-CG2 4.33Å; D27-V123 WeakPolarHBondContact O-CA 3.37Å; D27-V124 PolarHBondContact O-N 3.3Å
28L93.4Very high82.8Confident0 Ų049.4 Ų49.40%030%0.302CS..EExtended strand (participates in β ladder)trans-98.2123.4-177.7174.961.8000111.2P12 F13 F15 F42 V47 V50 V124 V126P12-L28 CarbonylContact C-O 3.56Å; P12-L28 WeakPolarHBondContact CA-O 3.33Å; F13-L28 HydrophobicContact CB-CB 4.17Å; F13-L28 HydrophobicContact CB-CD2 4.33Å; F13-L28 HydrophobicContact CB-CG 4.46Å; F13-L28 PolarHBondContact N-O 3.49Å; F13-L28 WeakPolarHBondContact O-CB 3.44Å; F13-L28 PolarHBondContact O-N 3.45Å; F15-L28 HydrophobicContact CE1-CB 4.12Å; F15-L28 HydrophobicContact CE1-CD2 4.16Å; L28-F42 HydrophobicContact CD2-CE1 3.95Å; L28-F42 HydrophobicContact CD2-CZ 4.01Å; L28-V47 HydrophobicContact CD2-CG2 4.41Å; L28-V50 HydrophobicContact CD1-CG1 4.15Å; L28-V124 CarbonylContact C-O 3.57Å; L28-V124 WeakPolarHBondContact CA-O 3.44Å; L28-V124 HydrophobicContact CD1-CB 4.05Å; L28-V124 HydrophobicContact CD1-CG1 3.83Å; L28-V126 HydrophobicContact CD1-CG2 3.56Å
29H92.2Very high81.9Confident47 Ų4745.1 Ų45.122%0.21829%0.286CS..EExtended strand (participates in β ladder)trans-115.6121.7178.1-67.3-96.2000109.8V124 C125 V126H29-V124 PolarHBondContact N-O 3.34Å; H29-C125 CarbonylContact O-C 3.54Å; H29-C125 WeakPolarHBondContact O-CA 3.33Å; H29-V126 PolarHBondContact O-N 3.19Å
30V90.8Very high81.1Confident11 Ų1149.1 Ų49.17%0.06731%0.314CS..EExtended strand (participates in β ladder)trans-99.1126.3173.8-173.50000107.8F13 T39 W41 F42F13-V30 HydrophobicContact CD2-CG2 4.42Å; F13-V30 HydrophobicContact CE2-CG2 4.49Å; V30-T39 HydrophobicContact CB-CG2 4.23Å; V30-T39 HydrophobicContact CG1-CG2 3.91Å; V30-W41 HydrophobicContact CG1-CH2 4.45Å; V30-W41 HydrophobicContact CG1-CZ2 3.72Å; V30-F42 HydrophobicContact CG1-CB 3.72Å; V30-F42 HydrophobicContact CG1-CD1 4.35Å; V30-F42 HydrophobicContact CG1-CD2 4.32Å; V30-F42 HydrophobicContact CG1-CG 3.88Å; V30-F42 HydrophobicContact CG2-CB 4.34Å; V30-F42 HydrophobicContact CG2-CD1 3.41Å; V30-F42 VanDerWaalsContact CG2-CD1 3.41Å; V30-F42 HydrophobicContact CG2-CD2 4.34Å; V30-F42 HydrophobicContact CG2-CE1 3.67Å; V30-F42 HydrophobicContact CG2-CG 3.77Å; V30-F42 HydrophobicContact CG2-CZ 4.3Å
31L87.5Confident80.9Confident52 Ų5248.6 Ų48.627%0.27229%0.294SS..PPolyproline II helixtrans-84.1132.1177.4-60.3-176.9000110.2V126L31-V126 PolarHBondContact N-O 3.43Å
32P79.9Confident80.8Confident55 Ų5544.9 Ų44.936%0.35727%0.273SS..PPolyproline II helixtrans-71.4147.7-179.628.9-34.2000111.8G34 S35 T39P32-G34 PolarHBondContact O-N 2.96Å; P32-S35 WeakPolarHBondContact CB-O 3.4Å; P32-T39 HydrophobicContact CB-CG2 4.49Å
33L71.4Confident80.7Confident99 Ų9947.1 Ų47.152%0.51829%0.288SS..  trans-94.481-179.5-173.362.5000110.8S35 C128L33-S35 PolarHBondContact O-N 2.97Å; L33-C128 HydrophobicContact CD1-CB 3.83Å; L33-C128 HydrophobicContact CD2-CB 4.41Å
34G65Low80.5Confident86 Ų8650.1 Ų50.189%0.88731%0.313SS*.SBendtrans74.2-41.7173.600000115.9P32P32-G34 PolarHBondContact O-N 2.96Å
35S60.3Low80.4Confident52 Ų5255.7 Ų55.736%0.36434%0.343SS..SBendtrans-95.9136.6170.4171.80000110.7P32 L33 E37 S38P32-S35 WeakPolarHBondContact CB-O 3.4Å; L33-S35 PolarHBondContact O-N 2.97Å; S35-E37 VanDerWaalsContact C-N 3.28Å; S35-E37 PolarHBondContact O-N 3.25Å; S35-S38 PolarHBondContact O-N 3.33Å
36P58.5Low80.2Confident95 Ų9554.9 Ų54.962%0.61734%0.338SS*.THydrogen-bonded Turntrans-65.4-24-175.324.4-31.7000114.3
37E55.3Low80.1Confident152 Ų15257 Ų5771%0.7135%0.351SS*.THydrogen-bonded Turntrans-94.4-13.9-179.1-67.587.2-16500115.8S35 T39S35-E37 VanDerWaalsContact C-N 3.28Å; S35-E37 PolarHBondContact O-N 3.25Å; E37-T39 PolarHBondContact O-N 3.44Å; E37-T39 VanDerWaalsContact O-N 3.17Å
38S62.6Low80.1Confident38 Ų3862.8 Ų62.827%0.26638%0.378SS..  trans-93.667.1-171.366.40000114S35S35-S38 PolarHBondContact O-N 3.33Å
39T72.8Confident80.1Confident25 Ų2564.3 Ų64.315%0.15339%0.385CS..  trans-85.49.815851.50000112.7M10 V30 P32 E37 W41 F42M10-T39 PolarHBondContact SD-OG1 3.44Å; V30-T39 HydrophobicContact CB-CG2 4.23Å; V30-T39 HydrophobicContact CG1-CG2 3.91Å; P32-T39 HydrophobicContact CB-CG2 4.49Å; E37-T39 PolarHBondContact O-N 3.44Å; E37-T39 VanDerWaalsContact O-N 3.17Å; T39-W41 PolarHBondContact O-N 3.17Å; T39-W41 VanDerWaalsContact O-N 3.08Å; T39-F42 PolarHBondContact O-N 3.5Å
40S76.3Confident80.2Confident102 Ų10262.1 Ų62.171%0.71337%0.374SS*.THydrogen-bonded Turntrans-58.7-16.4176.951.80000114.6F42S40-F42 PolarHBondContact O-N 2.95Å
41W85.2Confident80.4Confident46 Ų4663 Ų6317%0.17438%0.383CS..THydrogen-bonded Turntrans-69.8-20172.771.6-96000113.1V30 T39 Q46 F94 V126 C128V30-W41 HydrophobicContact CG1-CH2 4.45Å; V30-W41 HydrophobicContact CG1-CZ2 3.72Å; T39-W41 PolarHBondContact O-N 3.17Å; T39-W41 VanDerWaalsContact O-N 3.08Å; W41-Q46 PolarHBondContact O-NE2 2.8Å; W41-F94 HydrophobicContact CH2-CB 4.12Å; W41-F94 HydrophobicContact CZ3-CB 3.98Å; W41-V126 HydrophobicContact CH2-CG1 4.1Å; W41-C128 VanDerWaalsContact CH2-N 3.28Å; W41-C128 HydrophobicContact CZ2-CB 4.29Å; W41-C128 VanDerWaalsContact CZ2-N 3.29Å
42F87.6Confident80.7Confident24 Ų2464.3 Ų64.311%0.10540%0.397CS..  trans-100.9108.9-176.1-167.7-98.6000111.3L28 V30 T39 S40 Q46 V47 V50 V126L28-F42 HydrophobicContact CD2-CE1 3.95Å; L28-F42 HydrophobicContact CD2-CZ 4.01Å; V30-F42 HydrophobicContact CG1-CB 3.72Å; V30-F42 HydrophobicContact CG1-CD1 4.35Å; V30-F42 HydrophobicContact CG1-CD2 4.32Å; V30-F42 HydrophobicContact CG1-CG 3.88Å; V30-F42 HydrophobicContact CG2-CB 4.34Å; V30-F42 HydrophobicContact CG2-CD1 3.41Å; V30-F42 VanDerWaalsContact CG2-CD1 3.41Å; V30-F42 HydrophobicContact CG2-CD2 4.34Å; V30-F42 HydrophobicContact CG2-CE1 3.67Å; V30-F42 HydrophobicContact CG2-CG 3.77Å; V30-F42 HydrophobicContact CG2-CZ 4.3Å; T39-F42 PolarHBondContact O-N 3.5Å; S40-F42 PolarHBondContact O-N 2.95Å; F42-Q46 HydrophobicContact CD2-CB 3.84Å; F42-Q46 HydrophobicContact CE2-CB 3.58Å; F42-Q46 HydrophobicContact CG-CB 4.47Å; F42-Q46 HydrophobicContact CZ-CB 4.06Å; F42-V47 HydrophobicContact CD1-CG2 4.36Å; F42-V47 HydrophobicContact CE1-CG2 3.52Å; F42-V47 HydrophobicContact CZ-CG2 4.12Å; F42-V50 HydrophobicContact CE2-CG2 4.23Å; F42-V50 HydrophobicContact CZ-CG2 4.11Å; F42-V126 HydrophobicContact CD2-CG1 4.36Å; F42-V126 HydrophobicContact CE2-CB 4.39Å; F42-V126 HydrophobicContact CE2-CG1 3.91Å
43T88.6Confident81.5Confident58 Ų5864 Ų6436%0.35639%0.392SS..  trans-102.4171.1-172.663.80000113.1D45 Q46 V47T43-D45 VanDerWaalsContact C-N 3.26Å; T43-D45 PolarHBondContact O-N 3.38Å; T43-Q46 WeakPolarHBondContact O-CB 3.49Å; T43-Q46 PolarHBondContact O-N 3.35Å; T43-V47 PolarHBondContact O-N 2.98Å; T43-V47 VanDerWaalsContact O-N 3.14Å
44A88.9Confident82.6Confident70 Ų7059.3 Ų59.358%0.57937%0.367SS*.Hα-helixtrans-56.9-39.4173.900000112.4Q46 V47 E48A44-Q46 PolarHBondContact O-N 3.01Å; A44-V47 WeakPolarHBondContact O-CA 3.4Å; A44-V47 VanDerWaalsContact O-CB 3.3Å; A44-V47 WeakPolarHBondContact O-CB 3.12Å; A44-V47 PolarHBondContact O-N 3.48Å; A44-E48 PolarHBondContact O-N 3.27Å
45D90.3Very high84.1Confident117 Ų11761.8 Ų61.863%0.62635%0.35SS*.Hα-helixtrans-59.1-34.4176.3-39.1-42.8000112T43 E48 E49T43-D45 VanDerWaalsContact C-N 3.26Å; T43-D45 PolarHBondContact O-N 3.38Å; D45-E48 PolarHBondContact O-N 3.1Å; D45-E49 PolarHBondContact O-N 2.95Å
46Q90.7Very high85.8Confident20 Ų2065.1 Ų65.19%0.09336%0.363CS..Hα-helixtrans-75.7-29.8175.6-63.1175.736.400111.9W41 F42 T43 A44 E48 E49 V50 F94W41-Q46 PolarHBondContact O-NE2 2.8Å; F42-Q46 HydrophobicContact CD2-CB 3.84Å; F42-Q46 HydrophobicContact CE2-CB 3.58Å; F42-Q46 HydrophobicContact CG-CB 4.47Å; F42-Q46 HydrophobicContact CZ-CB 4.06Å; T43-Q46 WeakPolarHBondContact O-CB 3.49Å; T43-Q46 PolarHBondContact O-N 3.35Å; A44-Q46 PolarHBondContact O-N 3.01Å; Q46-E48 VanDerWaalsContact C-N 3.35Å; Q46-E49 PolarHBondContact O-N 2.91Å; Q46-V50 WeakPolarHBondContact O-CB 3.14Å; Q46-V50 WeakPolarHBondContact O-CG2 3.14Å; Q46-V50 PolarHBondContact O-N 3.06Å; Q46-F94 HydrophobicContact CB-CE1 4.31Å
47V91.1Very high87.5Confident44 Ų4461.5 Ų61.527%0.26734%0.34SS..Hα-helixtrans-62.6-43.2168.4-179.50000110.4L28 F42 T43 A44 V50 A51L28-V47 HydrophobicContact CD2-CG2 4.41Å; F42-V47 HydrophobicContact CD1-CG2 4.36Å; F42-V47 HydrophobicContact CE1-CG2 3.52Å; F42-V47 HydrophobicContact CZ-CG2 4.12Å; T43-V47 PolarHBondContact O-N 2.98Å; T43-V47 VanDerWaalsContact O-N 3.14Å; A44-V47 WeakPolarHBondContact O-CA 3.4Å; A44-V47 VanDerWaalsContact O-CB 3.3Å; A44-V47 WeakPolarHBondContact O-CB 3.12Å; A44-V47 PolarHBondContact O-N 3.48Å; V47-V50 PolarHBondContact O-N 3.19Å; V47-A51 VanDerWaalsContact O-CB 3.27Å; V47-A51 WeakPolarHBondContact O-CB 3.43Å; V47-A51 PolarHBondContact O-N 2.93Å
48E93.1Very high89.4Confident126 Ų12654.2 Ų54.259%0.58931%0.306SS*.Hα-helixtrans-66.9-39.9176.8-66.8-169.6175.500112.5A44 D45 Q46 A51 S52A44-E48 PolarHBondContact O-N 3.27Å; D45-E48 PolarHBondContact O-N 3.1Å; Q46-E48 VanDerWaalsContact C-N 3.35Å; E48-A51 PolarHBondContact O-N 3.09Å; E48-S52 WeakPolarHBondContact O-CB 3.36Å; E48-S52 PolarHBondContact O-N 3.5Å; E48-S52 PolarHBondContact O-OG 3.44Å
49E94.9Very high91Very high32 Ų3254.8 Ų54.815%0.1531%0.306CS..Hα-helixtrans-60.6-52172.3-170.5-179.715900110.5D45 Q46 A51 S52 L53 G91 R92 F94D45-E49 PolarHBondContact O-N 2.95Å; Q46-E49 PolarHBondContact O-N 2.91Å; E49-A51 PolarHBondContact O-N 3.33Å; E49-S52 WeakPolarHBondContact O-CB 3.46Å; E49-S52 PolarHBondContact O-N 2.9Å; E49-S52 VanDerWaalsContact O-N 3.1Å; E49-L53 HydrophobicContact CG-CD1 4.17Å; E49-L53 HydrophobicContact CG-CG 4.37Å; E49-L53 WeakPolarHBondContact O-CG 3.42Å; E49-L53 PolarHBondContact O-N 2.94Å; E49-G91 WeakPolarHBondContact OE1-CA 3.33Å; E49-R92 WeakPolarHBondContact OE1-CG 3.21Å; E49-R92 PolarHBondContact OE1-N 3.06Å; E49-R92 WeakPolarHBondContact OE2-CD 3.44Å; E49-R92 IonicContact OE2-NE 3.76Å; E49-F94 HydrophobicContact CB-CE1 4.21Å; E49-F94 HydrophobicContact CB-CZ 4.24Å; E49-F94 HydrophobicContact CG-CE1 4.1Å; E49-F94 HydrophobicContact CG-CZ 3.94Å
50V94.1Very high92Very high0 Ų059.6 Ų59.60%033%0.327CS..Hα-helixtrans-54.5-50.7175.8166.70000110.9L28 F42 Q46 V47 S52 L53 V54 F94 L96 V124 V126L28-V50 HydrophobicContact CD1-CG1 4.15Å; F42-V50 HydrophobicContact CE2-CG2 4.23Å; F42-V50 HydrophobicContact CZ-CG2 4.11Å; Q46-V50 WeakPolarHBondContact O-CB 3.14Å; Q46-V50 WeakPolarHBondContact O-CG2 3.14Å; Q46-V50 PolarHBondContact O-N 3.06Å; V47-V50 PolarHBondContact O-N 3.19Å; V50-S52 PolarHBondContact O-N 3.07Å; V50-L53 PolarHBondContact O-N 2.79Å; V50-V54 HydrophobicContact CG1-CG1 4.37Å; V50-V54 WeakPolarHBondContact O-CG1 3.34Å; V50-V54 VanDerWaalsContact O-CG2 3.25Å; V50-V54 WeakPolarHBondContact O-CG2 3.42Å; V50-V54 PolarHBondContact O-N 3.27Å; V50-F94 HydrophobicContact CG2-CD2 4.48Å; V50-F94 HydrophobicContact CG2-CE1 4.17Å; V50-F94 HydrophobicContact CG2-CE2 3.67Å; V50-F94 HydrophobicContact CG2-CZ 3.49Å; V50-F94 VanDerWaalsContact CG2-CZ 3.49Å; V50-L96 HydrophobicContact CB-CD1 4.38Å; V50-L96 HydrophobicContact CG1-CD1 3.86Å; V50-L96 HydrophobicContact CG2-CD1 4.03Å; V50-V124 HydrophobicContact CG1-CG1 4Å; V50-V126 HydrophobicContact CG2-CG2 4.03Å
51A94Very high92.9Very high29 Ų2955.2 Ų55.224%0.2429%0.294CS..Hα-helixtrans-58.5-33.9179.500000112.7F15 V47 E48 E49 R55F15-A51 HydrophobicContact CE2-CB 3.8Å; F15-A51 HydrophobicContact CZ-CB 4.08Å; V47-A51 VanDerWaalsContact O-CB 3.27Å; V47-A51 WeakPolarHBondContact O-CB 3.43Å; V47-A51 PolarHBondContact O-N 2.93Å; E48-A51 PolarHBondContact O-N 3.09Å; E49-A51 PolarHBondContact O-N 3.33Å; A51-R55 PolarHBondContact O-N 3.29Å
52S95.1Very high93.3Very high81 Ų8153.1 Ų53.157%0.56629%0.287SS*.Hα-helixtrans-71.5-49174.6-57.20000111.7E48 E49 V50 V54 R55E48-S52 WeakPolarHBondContact O-CB 3.36Å; E48-S52 PolarHBondContact O-N 3.5Å; E48-S52 PolarHBondContact O-OG 3.44Å; E49-S52 WeakPolarHBondContact O-CB 3.46Å; E49-S52 PolarHBondContact O-N 2.9Å; E49-S52 VanDerWaalsContact O-N 3.1Å; V50-S52 PolarHBondContact O-N 3.07Å; S52-V54 VanDerWaalsContact C-N 3.3Å; S52-V54 PolarHBondContact O-N 2.96Å; S52-R55 WeakPolarHBondContact O-CB 3.41Å; S52-R55 PolarHBondContact O-N 3.47Å
53L95.4Very high93.6Very high48 Ų4858.1 Ų58.125%0.25131%0.308SS..Hα-helixtrans-62.8-33.5179.7-64177.7000112.9E49 V50 M89 F94E49-L53 HydrophobicContact CG-CD1 4.17Å; E49-L53 HydrophobicContact CG-CG 4.37Å; E49-L53 WeakPolarHBondContact O-CG 3.42Å; E49-L53 PolarHBondContact O-N 2.94Å; V50-L53 PolarHBondContact O-N 2.79Å; L53-M89 HydrophobicContact CB-SD 3.9Å; L53-M89 HydrophobicContact CD1-CG 4.43Å; L53-M89 HydrophobicContact CD1-SD 4.32Å; L53-M89 HydrophobicContact CD2-SD 3.74Å; L53-M89 HydrophobicContact CG-SD 4.18Å; L53-F94 HydrophobicContact CD1-CE2 3.93Å; L53-F94 HydrophobicContact CD1-CZ 3.85Å
54V95.6Very high93.8Very high0 Ų058.9 Ų58.90%031%0.308CS..THydrogen-bonded Turntrans-84.9-7.6180-61.30000114.5F15 I17 V50 S52 P57 V58 L96 Y122 V124F15-V54 HydrophobicContact CZ-CG2 4.39Å; I17-V54 HydrophobicContact CD1-CG2 3.57Å; V50-V54 HydrophobicContact CG1-CG1 4.37Å; V50-V54 WeakPolarHBondContact O-CG1 3.34Å; V50-V54 VanDerWaalsContact O-CG2 3.25Å; V50-V54 WeakPolarHBondContact O-CG2 3.42Å; V50-V54 PolarHBondContact O-N 3.27Å; S52-V54 VanDerWaalsContact C-N 3.3Å; S52-V54 PolarHBondContact O-N 2.96Å; V54-P57 WeakPolarHBondContact O-CD 3.32Å; V54-V58 WeakPolarHBondContact O-CB 3.45Å; V54-V58 VanDerWaalsContact O-CG2 3.23Å; V54-V58 WeakPolarHBondContact O-CG2 3.43Å; V54-V58 PolarHBondContact O-N 2.73Å; V54-L96 HydrophobicContact CG1-CD1 4.02Å; V54-L96 HydrophobicContact CG1-CD2 4.44Å; V54-Y122 HydrophobicContact CB-CD1 4.22Å; V54-Y122 HydrophobicContact CB-CE1 3.69Å; V54-Y122 HydrophobicContact CG1-CD1 4.39Å; V54-Y122 HydrophobicContact CG1-CE1 3.7Å; V54-V124 HydrophobicContact CG1-CG1 4.43Å; V54-V124 HydrophobicContact CG1-CG2 4.04Å
55R95.6Very high93.8Very high139 Ų13958 Ų5853%0.52529%0.29SS..Hα-helixtrans-65.9-53.2-174.3-170.4176.8-176.2167.62.5112.7A51 S52 V58 D59A51-R55 PolarHBondContact O-N 3.29Å; S52-R55 WeakPolarHBondContact O-CB 3.41Å; S52-R55 PolarHBondContact O-N 3.47Å; R55-V58 WeakPolarHBondContact O-CA 3.44Å; R55-V58 WeakPolarHBondContact O-CB 3.4Å; R55-V58 PolarHBondContact O-N 2.69Å; R55-V58 VanDerWaalsContact O-N 3.09Å; R55-D59 PolarHBondContact O-N 3.4Å
56D95.3Very high93.9Very high122 Ų12255.3 Ų55.365%0.65227%0.273SS*.Hα-helixtrans-63.9-41.8-177-61.9-13.4000113V58 D59 Q60D56-V58 VanDerWaalsContact C-N 3.29Å; D56-V58 PolarHBondContact O-N 2.98Å; D56-D59 PolarHBondContact O-N 2.91Å; D56-Q60 WeakPolarHBondContact O-CB 3.39Å; D56-Q60 PolarHBondContact O-N 3.38Å
57P94.8Very high93.9Very high18 Ų1859.3 Ų59.312%0.11729%0.292CS..Hα-helixtrans-57.8-38.1170-25.933.6000113.7V54 R61 F87V54-P57 WeakPolarHBondContact O-CD 3.32Å; P57-R61 WeakPolarHBondContact O-CB 3.44Å; P57-R61 PolarHBondContact O-N 3.4Å; P57-F87 HydrophobicContact CB-CD2 4.27Å; P57-F87 HydrophobicContact CB-CE2 4.29Å; P57-F87 HydrophobicContact CG-CD1 4.41Å; P57-F87 HydrophobicContact CG-CD2 3.79Å; P57-F87 HydrophobicContact CG-CE1 4Å; P57-F87 HydrophobicContact CG-CE2 3.33Å; P57-F87 HydrophobicContact CG-CG 4.29Å; P57-F87 HydrophobicContact CG-CZ 3.42Å; P57-F87 VanDerWaalsContact CG-CZ 3.42Å
58V95.6Very high93.7Very high0 Ų058.6 Ų58.60%029%0.288CS..Hα-helixtrans-68-47.4176.21670000111.1I17 V24 V54 R55 D56 Q60 R61 V62 F100 Y122I17-V58 HydrophobicContact CB-CG1 4.39Å; I17-V58 HydrophobicContact CD1-CG2 4.28Å; I17-V58 HydrophobicContact CG2-CG1 4.04Å; V24-V58 HydrophobicContact CB-CG1 3.88Å; V24-V58 HydrophobicContact CG1-CG1 3.91Å; V24-V58 HydrophobicContact CG1-CG2 4.35Å; V24-V58 HydrophobicContact CG2-CG1 3.68Å; V54-V58 WeakPolarHBondContact O-CB 3.45Å; V54-V58 VanDerWaalsContact O-CG2 3.23Å; V54-V58 WeakPolarHBondContact O-CG2 3.43Å; V54-V58 PolarHBondContact O-N 2.73Å; R55-V58 WeakPolarHBondContact O-CA 3.44Å; R55-V58 WeakPolarHBondContact O-CB 3.4Å; R55-V58 PolarHBondContact O-N 2.69Å; R55-V58 VanDerWaalsContact O-N 3.09Å; D56-V58 VanDerWaalsContact C-N 3.29Å; D56-V58 PolarHBondContact O-N 2.98Å; V58-Q60 VanDerWaalsContact C-N 3.34Å; V58-Q60 PolarHBondContact O-N 3.32Å; V58-R61 PolarHBondContact O-N 3.02Å; V58-V62 HydrophobicContact CG1-CG2 4.42Å; V58-V62 WeakPolarHBondContact O-CG2 3.27Å; V58-V62 PolarHBondContact O-N 3.32Å; V58-F100 HydrophobicContact CG2-CE1 4.26Å; V58-F100 HydrophobicContact CG2-CZ 3.87Å; V58-Y122 HydrophobicContact CG2-CD1 3.94Å; V58-Y122 HydrophobicContact CG2-CE1 4.24Å; V58-Y122 HydrophobicContact CG2-CG 4.22Å
59D95.4Very high93.3Very high50 Ų5054.1 Ų54.127%0.26727%0.268SS..Hα-helixtrans-63.1-40.7179-72-3.9000111.2C19 R55 D56 V62 K63C19-D59 WeakPolarHBondContact CB-OD1 3.4Å; C19-D59 PolarHBondContact SG-OD1 3.38Å; R55-D59 PolarHBondContact O-N 3.4Å; D56-D59 PolarHBondContact O-N 2.91Å; D59-V62 PolarHBondContact O-N 2.83Å; D59-K63 WeakPolarHBondContact O-CB 3.48Å; D59-K63 PolarHBondContact O-N 3.31Å
60Q94.8Very high92.7Very high126 Ų12657.3 Ų57.359%0.58928%0.282SS*.Hα-helixtrans-61.5-44173.3-169.9-176.629.700112.1D56 V58 K63 Q64D56-Q60 WeakPolarHBondContact O-CB 3.39Å; D56-Q60 PolarHBondContact O-N 3.38Å; V58-Q60 VanDerWaalsContact C-N 3.34Å; V58-Q60 PolarHBondContact O-N 3.32Å; Q60-K63 PolarHBondContact O-N 2.83Å; Q60-Q64 WeakPolarHBondContact O-CG 3.34Å; Q60-Q64 PolarHBondContact O-N 3.32Å
61R94.3Very high92.1Very high10 Ų1061.4 Ų61.44%0.03831%0.308CS..Hα-helixtrans-69-37.1180-175.458174.5-176.3-3.3112.3P57 V58 Y65 A82 F100 F118 E120P57-R61 WeakPolarHBondContact O-CB 3.44Å; P57-R61 PolarHBondContact O-N 3.4Å; V58-R61 PolarHBondContact O-N 3.02Å; R61-Y65 PolarHBondContact O-N 3.31Å; R61-Y65 VanDerWaalsContact O-N 3.14Å; R61-A82 PolarHBondContact NH1-O 3.31Å; R61-A82 PolarHBondContact NH2-O 3.15Å; R61-F100 HydrophobicContact CB-CD2 4.31Å; R61-F100 HydrophobicContact CB-CE1 4.1Å; R61-F100 HydrophobicContact CB-CE2 3.65Å; R61-F100 HydrophobicContact CB-CZ 3.55Å; R61-F100 HydrophobicContact CG-CD1 3.95Å; R61-F100 HydrophobicContact CG-CD2 3.83Å; R61-F100 HydrophobicContact CG-CE1 3.82Å; R61-F100 HydrophobicContact CG-CE2 3.68Å; R61-F100 HydrophobicContact CG-CG 3.97Å; R61-F100 HydrophobicContact CG-CZ 3.69Å; R61-F118 HydrophobicContact CG-CE1 4Å; R61-F118 HydrophobicContact CG-CZ 3.91Å; R61-E120 IonicContact CZ-OE1 2.72Å; R61-E120 IonicContact CZ-OE2 3.3Å; R61-E120 VanDerWaalsContact CZ-OE2 3.3Å; R61-E120 IonicContact NE-OE2 2.83Å; R61-E120 PolarHBondContact NE-OE2 2.93Å; R61-E120 VanDerWaalsContact NH2-CD 3.31Å; R61-E120 IonicContact NH2-OE1 3.79Å; R61-E120 PolarHBondContact NH2-OE1 2.9Å; R61-E120 IonicContact NH2-OE2 2.92Å; R61-E120 PolarHBondContact NH2-OE2 2.86Å
62V93.8Very high91.4Very high2 Ų266.4 Ų66.41%0.01232%0.32CS..Hα-helixtrans-64.6-44.6173.5172.60000110.6C19 F22 V24 V58 D59 Q64 Y65 E66 F118C19-V62 HydrophobicContact CB-CB 4.26Å; C19-V62 HydrophobicContact CB-CG1 4.26Å; C19-V62 HydrophobicContact CB-CG2 3.95Å; F22-V62 HydrophobicContact CB-CG1 4Å; F22-V62 HydrophobicContact CB-CG2 4.41Å; F22-V62 HydrophobicContact CD2-CG1 3.61Å; F22-V62 HydrophobicContact CE2-CG1 4.45Å; F22-V62 HydrophobicContact CG-CG1 4.04Å; V24-V62 HydrophobicContact CG2-CG2 3.69Å; V58-V62 HydrophobicContact CG1-CG2 4.42Å; V58-V62 WeakPolarHBondContact O-CG2 3.27Å; V58-V62 PolarHBondContact O-N 3.32Å; D59-V62 PolarHBondContact O-N 2.83Å; V62-Q64 PolarHBondContact O-N 3.13Å; V62-Y65 WeakPolarHBondContact O-CB 3.23Å; V62-Y65 PolarHBondContact O-N 3.12Å; V62-Y65 VanDerWaalsContact O-N 3.1Å; V62-E66 PolarHBondContact O-N 2.99Å; V62-F118 HydrophobicContact CB-CE2 4.26Å; V62-F118 HydrophobicContact CG2-CD2 3.73Å; V62-F118 HydrophobicContact CG2-CE2 3.8Å; V62-F118 HydrophobicContact CG2-CG 4.25Å; V62-F118 HydrophobicContact CG2-CZ 4.36Å
63K94.1Very high90.5Very high129 Ų12970.8 Ų70.856%0.56132%0.324SS*.Hα-helixtrans-58.8-45.8176.1-173.6178.8176.5-178.20112.5D59 Q60 Y65 E66 E67D59-K63 WeakPolarHBondContact O-CB 3.48Å; D59-K63 PolarHBondContact O-N 3.31Å; Q60-K63 PolarHBondContact O-N 2.83Å; K63-Y65 VanDerWaalsContact C-N 3.28Å; K63-Y65 PolarHBondContact O-N 3.44Å; K63-E66 PolarHBondContact O-N 3.01Å; K63-E67 WeakPolarHBondContact CE-OE1 3.48Å; K63-E67 WeakPolarHBondContact O-CG 3.49Å; K63-E67 PolarHBondContact O-N 3.31Å
64Q92.4Very high89.2Confident73 Ų7379.7 Ų79.734%0.34135%0.354SS..Hα-helixtrans-57-40.5173.7-72.31742.900112.4Q60 V62 V68 L81Q60-Q64 WeakPolarHBondContact O-CG 3.34Å; Q60-Q64 PolarHBondContact O-N 3.32Å; V62-Q64 PolarHBondContact O-N 3.13Å; Q64-V68 WeakPolarHBondContact O-CG2 3.16Å; Q64-V68 PolarHBondContact O-N 3.15Å; Q64-V68 VanDerWaalsContact O-N 3.1Å; Q64-L81 HydrophobicContact CB-CD2 4.28Å
65Y90.6Very high87.8Confident52 Ų5281.6 Ų81.620%0.20437%0.371CS..Hα-helixtrans-65.8-43.9176.4-176.3-128.6000112.2F22 R61 V62 K63 E67 V68 L69 L81 F118 P119F22-Y65 AromaticContact CE1-CD1 3.98Å; F22-Y65 HydrophobicContact CE1-CD1 3.98Å; F22-Y65 AromaticContact CE1-CE1 3.66Å; F22-Y65 HydrophobicContact CE1-CE1 3.66Å; F22-Y65 HydrophobicContact CE2-CD1 4.41Å; F22-Y65 AromaticContact CZ-CD1 3.8Å; F22-Y65 HydrophobicContact CZ-CD1 3.8Å; F22-Y65 AromaticContact CZ-CE1 3.7Å; F22-Y65 HydrophobicContact CZ-CE1 3.7Å; R61-Y65 PolarHBondContact O-N 3.31Å; R61-Y65 VanDerWaalsContact O-N 3.14Å; V62-Y65 WeakPolarHBondContact O-CB 3.23Å; V62-Y65 PolarHBondContact O-N 3.12Å; V62-Y65 VanDerWaalsContact O-N 3.1Å; K63-Y65 VanDerWaalsContact C-N 3.28Å; K63-Y65 PolarHBondContact O-N 3.44Å; Y65-E67 VanDerWaalsContact C-N 3.35Å; Y65-E67 PolarHBondContact O-N 2.81Å; Y65-V68 PolarHBondContact O-N 2.86Å; Y65-L69 HydrophobicContact CD1-CD1 3.94Å; Y65-L69 HydrophobicContact CD1-CG 4.42Å; Y65-L69 HydrophobicContact CD2-CG 4.3Å; Y65-L69 HydrophobicContact CE1-CD1 3.51Å; Y65-L69 HydrophobicContact CE1-CG 4.12Å; Y65-L69 HydrophobicContact CE2-CD1 4.28Å; Y65-L69 HydrophobicContact CE2-CD2 4.05Å; Y65-L69 HydrophobicContact CE2-CG 3.97Å; Y65-L69 WeakPolarHBondContact O-CG 3.21Å; Y65-L69 PolarHBondContact O-N 3.44Å; Y65-L81 HydrophobicContact CD2-CD1 3.49Å; Y65-L81 VanDerWaalsContact CD2-CD1 3.49Å; Y65-L81 HydrophobicContact CD2-CG 4.09Å; Y65-L81 HydrophobicContact CE2-CD1 4.45Å; Y65-L81 HydrophobicContact CG-CD1 4Å; Y65-F118 VanDerWaalsContact CB-CE2 3.48Å; Y65-F118 AromaticContact CD1-CD2 3.95Å; Y65-F118 HydrophobicContact CD1-CD2 3.95Å; Y65-F118 AromaticContact CD1-CE2 3.52Å; Y65-F118 HydrophobicContact CD1-CE2 3.52Å; Y65-F118 HydrophobicContact CD1-CZ 4.49Å; Y65-F118 HydrophobicContact CE1-CE2 4.43Å; Y65-F118 AromaticContact CG-CE2 3.69Å; Y65-F118 HydrophobicContact CG-CE2 3.69Å; Y65-F118 HydrophobicContact CG-CZ 4.29Å; Y65-P119 HydrophobicContact CD1-CG 4.47Å; Y65-P119 HydrophobicContact CD2-CG 4.42Å; Y65-P119 HydrophobicContact CE1-CG 3.97Å; Y65-P119 HydrophobicContact CE2-CG 3.93Å
66E90.9Very high86.4Confident60 Ų6085.6 Ų85.628%0.2839%0.392SS..Hα-helixtrans-60.6-44.5176.7-71.9-166.4153.300111.1F22 V62 K63 V68 L69 H70F22-E66 HydrophobicContact CD2-CG 4.32Å; F22-E66 HydrophobicContact CE2-CG 3.7Å; F22-E66 VanDerWaalsContact CE2-OE1 3.32Å; F22-E66 WeakPolarHBondContact CE2-OE1 3.42Å; V62-E66 PolarHBondContact O-N 2.99Å; K63-E66 PolarHBondContact O-N 3.01Å; E66-V68 PolarHBondContact O-N 3.44Å; E66-L69 WeakPolarHBondContact O-CB 3.32Å; E66-L69 PolarHBondContact O-N 3.28Å; E66-L69 VanDerWaalsContact O-N 3.15Å; E66-H70 PolarHBondContact O-N 3.13Å; E66-H70 PolarHBondContact O-ND1 3.08Å
67E90.7Very high85Confident104 Ų10486.7 Ų86.749%0.48639%0.393SS..Hα-helixtrans-57.1-46.8174.7-71.5169-170.300111.6K63 Y65 L69 H70 V71K63-E67 WeakPolarHBondContact CE-OE1 3.48Å; K63-E67 WeakPolarHBondContact O-CG 3.49Å; K63-E67 PolarHBondContact O-N 3.31Å; Y65-E67 VanDerWaalsContact C-N 3.35Å; Y65-E67 PolarHBondContact O-N 2.81Å; E67-L69 PolarHBondContact O-N 3.1Å; E67-H70 PolarHBondContact O-N 2.73Å; E67-V71 WeakPolarHBondContact O-CG2 3.42Å; E67-V71 PolarHBondContact O-N 2.9Å
68V87.4Confident83.4Confident29 Ų2994.2 Ų94.218%0.17642%0.424CS..Hα-helixtrans-62.4-39.6175171.40000112Q64 Y65 E66 R72 L81Q64-V68 WeakPolarHBondContact O-CG2 3.16Å; Q64-V68 PolarHBondContact O-N 3.15Å; Q64-V68 VanDerWaalsContact O-N 3.1Å; Y65-V68 PolarHBondContact O-N 2.86Å; E66-V68 PolarHBondContact O-N 3.44Å; V68-R72 VanDerWaalsContact O-CB 3.23Å; V68-R72 WeakPolarHBondContact O-CB 3.34Å; V68-R72 PolarHBondContact O-N 2.84Å; V68-L81 HydrophobicContact CG2-CD2 3.91Å
69L84.1Confident82.1Confident33 Ų33101 Ų10117%0.17345%0.453CS..Hα-helixtrans-65.2-40.7174.8-74.1-178.1000112.3F22 Y65 E66 E67 R72 R73F22-L69 HydrophobicContact CZ-CD1 4.2Å; Y65-L69 HydrophobicContact CD1-CD1 3.94Å; Y65-L69 HydrophobicContact CD1-CG 4.42Å; Y65-L69 HydrophobicContact CD2-CG 4.3Å; Y65-L69 HydrophobicContact CE1-CD1 3.51Å; Y65-L69 HydrophobicContact CE1-CG 4.12Å; Y65-L69 HydrophobicContact CE2-CD1 4.28Å; Y65-L69 HydrophobicContact CE2-CD2 4.05Å; Y65-L69 HydrophobicContact CE2-CG 3.97Å; Y65-L69 WeakPolarHBondContact O-CG 3.21Å; Y65-L69 PolarHBondContact O-N 3.44Å; E66-L69 WeakPolarHBondContact O-CB 3.32Å; E66-L69 PolarHBondContact O-N 3.28Å; E66-L69 VanDerWaalsContact O-N 3.15Å; E67-L69 PolarHBondContact O-N 3.1Å; L69-R72 PolarHBondContact O-N 3.5Å; L69-R73 WeakPolarHBondContact O-CG 3.46Å; L69-R73 PolarHBondContact O-N 3.25Å
70H84Confident81Confident98 Ų98104.4 Ų104.445%0.45447%0.467SS..Hα-helixtrans-65.6-44.4177.4-76.389.2000111.3E66 E67 R73 R74E66-H70 PolarHBondContact O-N 3.13Å; E66-H70 PolarHBondContact O-ND1 3.08Å; E67-H70 PolarHBondContact O-N 2.73Å; H70-R73 PolarHBondContact O-N 2.94Å; H70-R74 PolarHBondContact O-N 2.95Å
71V81.1Confident80.1Confident87 Ų8799.3 Ų99.353%0.52744%0.444SS..Hα-helixtrans-61.7-44.6173.81730000110.8E67 R73 R74 A75E67-V71 WeakPolarHBondContact O-CG2 3.42Å; E67-V71 PolarHBondContact O-N 2.9Å; V71-R73 VanDerWaalsContact C-N 3.29Å; V71-R73 PolarHBondContact O-N 3.42Å; V71-R74 CarbonylContact O-C 3.5Å; V71-R74 PolarHBondContact O-N 2.76Å; V71-A75 PolarHBondContact O-N 2.97Å
72R78.5Confident79.5Confident134 Ų134102.2 Ų102.251%0.50647%0.47SS..Hα-helixtrans-65.3-26.5178.9-176.4173.5175.5-162.1-3.9114V68 L69 R74 A75V68-R72 VanDerWaalsContact O-CB 3.23Å; V68-R72 WeakPolarHBondContact O-CB 3.34Å; V68-R72 PolarHBondContact O-N 2.84Å; L69-R72 PolarHBondContact O-N 3.5Å; R72-R74 VanDerWaalsContact C-N 3.32Å; R72-A75 CarbonylContact C-O 3.54Å; R72-A75 WeakPolarHBondContact CA-O 3.39Å
73R76.9Confident78.9Confident172 Ų172107.5 Ų107.565%0.64951%0.505SS*.Hα-helixtrans-69.8-29.8170.5-72.7176.7-164.4177.79112.2L69 H70 V71L69-R73 WeakPolarHBondContact O-CG 3.46Å; L69-R73 PolarHBondContact O-N 3.25Å; H70-R73 PolarHBondContact O-N 2.94Å; V71-R73 VanDerWaalsContact C-N 3.29Å; V71-R73 PolarHBondContact O-N 3.42Å
74R68.3Low78.5Confident235 Ų235102.5 Ų102.589%0.88749%0.487SS*.Hα-helixtrans-91.5-32.4-179.2-64.6-175.1178.4-161.3-0.1113.3H70 V71 R72H70-R74 PolarHBondContact O-N 2.95Å; V71-R74 CarbonylContact O-C 3.5Å; V71-R74 PolarHBondContact O-N 2.76Å; R72-R74 VanDerWaalsContact C-N 3.32Å
75A64.6Low78.1Confident41 Ų41104 Ų10434%0.33951%0.506SS..SBendtrans-124.2128.4178.200000111V71 R72 Q77V71-A75 PolarHBondContact O-N 2.97Å; R72-A75 CarbonylContact C-O 3.54Å; R72-A75 WeakPolarHBondContact CA-O 3.39Å; A75-Q77 PolarHBondContact O-N 2.87Å
76K66.4Low77.9Confident223 Ų223103.3 Ų103.397%0.9751%0.511SS*.  trans-66.618.8-178.5-70.2-177.6177.3174.60115.2
77Q67.1Low78Confident145 Ų145102.4 Ų102.468%0.67851%0.506SS*.  trans-81.7133.8178.3-66.4-173.6-7.700110.9A75 K79A75-Q77 PolarHBondContact O-N 2.87Å; Q77-K79 PolarHBondContact O-N 2.84Å
78K60.9Low78Confident176 Ų176104.4 Ų104.477%0.76551%0.513SS*.  trans-80.962.4175-165.6-172.6176.6-168.20109.7E80K78-E80 PolarHBondContact O-N 2.72Å
79K67.8Low78.3Confident141 Ų141106.6 Ų106.661%0.61352%0.523SS*.PPolyproline II helixtrans-74.2117175.7-161.4168.4-173.2177.50108.9Q77Q77-K79 PolarHBondContact O-N 2.84Å
80E71.8Confident78.7Confident122 Ų122113.2 Ų113.257%0.5755%0.545SS*.PPolyproline II helixtrans-88.8150.4175.2-161171.792.900109.1K78 A82 R102K78-E80 PolarHBondContact O-N 2.72Å; E80-A82 PolarHBondContact O-N 3.18Å; E80-R102 VanDerWaalsContact CD-NH2 3.26Å; E80-R102 VanDerWaalsContact CG-NH2 3.32Å; E80-R102 IonicContact OE1-CZ 2.75Å; E80-R102 IonicContact OE1-NH1 3.47Å; E80-R102 PolarHBondContact OE1-NH1 2.83Å; E80-R102 IonicContact OE1-NH2 3.14Å; E80-R102 PolarHBondContact OE1-NH2 3.14Å; E80-R102 IonicContact OE2-NH1 2.73Å; E80-R102 PolarHBondContact OE2-NH1 2.82Å
81L76.4Confident78.9Confident20 Ų20109 Ų10911%0.10553%0.528CS..PPolyproline II helixtrans-63.9131.1172.8-88.4172.7000109.7Q64 Y65 V68 R102Q64-L81 HydrophobicContact CB-CD2 4.28Å; Y65-L81 HydrophobicContact CD2-CD1 3.49Å; Y65-L81 VanDerWaalsContact CD2-CD1 3.49Å; Y65-L81 HydrophobicContact CD2-CG 4.09Å; Y65-L81 HydrophobicContact CE2-CD1 4.45Å; Y65-L81 HydrophobicContact CG-CD1 4Å; V68-L81 HydrophobicContact CG2-CD2 3.91Å; L81-R102 PolarHBondContact O-NH2 3.33Å
82A82.1Confident79.3Confident70 Ų70114.4 Ų114.458%0.57954%0.539SS*.PPolyproline II helixtrans-56.7142.7165.600000109.3R61 E80 A84R61-A82 PolarHBondContact NH1-O 3.31Å; R61-A82 PolarHBondContact NH2-O 3.15Å; E80-A82 PolarHBondContact O-N 3.18Å; A82-A84 PolarHBondContact O-N 2.9Å
83P80.7Confident79.8Confident114 Ų114113.1 Ų113.174%0.7454%0.542SS*.PPolyproline II helixtrans-50.2138172.3-25.734.8000110.7
84A84.9Confident80.5Confident23 Ų23104.9 Ų104.919%0.1951%0.511CS..PPolyproline II helixtrans-66.8151.7172.400000110A82 F100A82-A84 PolarHBondContact O-N 2.9Å; A84-F100 HydrophobicContact CB-CB 3.97Å; A84-F100 HydrophobicContact CB-CD2 3.61Å; A84-F100 HydrophobicContact CB-CG 4.2Å
85S84.1Confident81.7Confident105 Ų10595.9 Ų95.973%0.73448%0.481SS*.PPolyproline II helixtrans-61.7147.2161.1-175.60000109
86A88.1Confident83.1Confident38 Ų3894.1 Ų94.131%0.31447%0.466SS..PPolyproline II helixtrans-60139.6159.300000109F88A86-F88 HydrophobicContact CB-CD2 4.37Å; A86-F88 HydrophobicContact CB-CE2 3.55Å; A86-F88 HydrophobicContact CB-CZ 4.04Å
87F91.6Very high84.5Confident41 Ų4186.4 Ų86.418%0.1844%0.437CS..EExtended strand (participates in β ladder)trans-104.3132.8178.6174.6-103.4000108.6P57 M89 L96 V97 A98 Y122P57-F87 HydrophobicContact CB-CD2 4.27Å; P57-F87 HydrophobicContact CB-CE2 4.29Å; P57-F87 HydrophobicContact CG-CD1 4.41Å; P57-F87 HydrophobicContact CG-CD2 3.79Å; P57-F87 HydrophobicContact CG-CE1 4Å; P57-F87 HydrophobicContact CG-CE2 3.33Å; P57-F87 HydrophobicContact CG-CG 4.29Å; P57-F87 HydrophobicContact CG-CZ 3.42Å; P57-F87 VanDerWaalsContact CG-CZ 3.42Å; F87-M89 HydrophobicContact CE1-CB 3.82Å; F87-M89 HydrophobicContact CE1-CE 4.44Å; F87-M89 HydrophobicContact CE1-SD 4.25Å; F87-M89 HydrophobicContact CE2-CE 3.78Å; F87-M89 HydrophobicContact CZ-CB 3.91Å; F87-M89 HydrophobicContact CZ-CE 3.41Å; F87-M89 VanDerWaalsContact CZ-CE 3.41Å; F87-M89 HydrophobicContact CZ-CG 4.43Å; F87-M89 HydrophobicContact CZ-SD 3.66Å; F87-L96 HydrophobicContact CD1-CD2 3.7Å; F87-L96 HydrophobicContact CE1-CD2 3.73Å; F87-V97 CarbonylContact O-C 3.6Å; F87-V97 WeakPolarHBondContact O-CA 3.4Å; F87-A98 HydrophobicContact CB-CB 4.47Å; F87-A98 HydrophobicContact CD1-CB 4.16Å; F87-A98 PolarHBondContact N-O 3.47Å; F87-A98 PolarHBondContact O-N 2.88Å; F87-Y122 WeakPolarHBondContact CB-OH 3.42Å; F87-Y122 WeakPolarHBondContact CD1-OH 3.46Å; F87-Y122 WeakPolarHBondContact CG-OH 3.47Å
88F91.9Very high85.8Confident145 Ų14579.6 Ų79.664%0.63641%0.406SS*.EExtended strand (participates in β ladder)trans-128.9131.4179.8-64.6-94.6000108.1A86 L96 V97A86-F88 HydrophobicContact CB-CD2 4.37Å; A86-F88 HydrophobicContact CB-CE2 3.55Å; A86-F88 HydrophobicContact CB-CZ 4.04Å; F88-L96 WeakPolarHBondContact CA-O 3.34Å; F88-V97 HydrophobicContact CD1-CB 4.24Å; F88-V97 HydrophobicContact CD1-CG1 3.88Å; F88-V97 HydrophobicContact CD1-CG2 3.66Å; F88-V97 HydrophobicContact CE1-CB 4.19Å; F88-V97 HydrophobicContact CE1-CG1 3.46Å; F88-V97 VanDerWaalsContact CE1-CG1 3.46Å; F88-V97 HydrophobicContact CE1-CG2 3.72Å; F88-V97 HydrophobicContact CZ-CG1 3.93Å
89M92.6Very high87.4Confident75 Ų7574 Ų7437%0.36938%0.384SS..EExtended strand (participates in β ladder)trans-150.7149.3179.4-169.8158.8-80.500110.2L53 F87 L96L53-M89 HydrophobicContact CB-SD 3.9Å; L53-M89 HydrophobicContact CD1-CG 4.43Å; L53-M89 HydrophobicContact CD1-SD 4.32Å; L53-M89 HydrophobicContact CD2-SD 3.74Å; L53-M89 HydrophobicContact CG-SD 4.18Å; F87-M89 HydrophobicContact CE1-CB 3.82Å; F87-M89 HydrophobicContact CE1-CE 4.44Å; F87-M89 HydrophobicContact CE1-SD 4.25Å; F87-M89 HydrophobicContact CE2-CE 3.78Å; F87-M89 HydrophobicContact CZ-CB 3.91Å; F87-M89 HydrophobicContact CZ-CE 3.41Å; F87-M89 VanDerWaalsContact CZ-CE 3.41Å; F87-M89 HydrophobicContact CZ-CG 4.43Å; F87-M89 HydrophobicContact CZ-SD 3.66Å; M89-L96 HydrophobicContact CB-CD2 4.44Å; M89-L96 PolarHBondContact N-O 2.81Å; M89-L96 WeakPolarHBondContact O-CA 3.33Å; M89-L96 WeakPolarHBondContact O-CB 3.4Å; M89-L96 PolarHBondContact O-N 3.48Å
90R93.1Very high88.6Confident172 Ų17268.2 Ų68.265%0.64936%0.359SS*.EExtended strand (participates in β ladder)trans-104120.5171.6-176.2167.3-179.2173.35.7108.1
91G89Confident89.6Confident9 Ų965.8 Ų65.89%0.09335%0.349CS..  trans-79.6-176.3165.800000110.5E49 N93 F94E49-G91 WeakPolarHBondContact OE1-CA 3.33Å; G91-N93 PolarHBondContact O-N 2.89Å; G91-F94 PolarHBondContact N-O 2.82Å
92R89.1Confident90.2Very high201 Ų20170.1 Ų70.176%0.75836%0.364SS*.SBendtrans-55.5-53.2179.2-65.8170.2-166.8179.65.7111.4E49E49-R92 WeakPolarHBondContact OE1-CG 3.21Å; E49-R92 PolarHBondContact OE1-N 3.06Å; E49-R92 WeakPolarHBondContact OE2-CD 3.44Å; E49-R92 IonicContact OE2-NE 3.76Å
93N89.1Confident90.1Very high107 Ų10768.6 Ų68.657%0.57234%0.344SS*.SBendtrans-126.528.1-171.8-59.1-12.8000111.9G91 P129G91-N93 PolarHBondContact O-N 2.89Å; N93-P129 VanDerWaalsContact O-CD 3.24Å; N93-P129 WeakPolarHBondContact O-CD 3.37Å
94F91.5Very high89.8Confident0 Ų072.5 Ų72.50%035%0.352CS..  trans-158.7156.4178.959-98.2000113.1W41 Q46 E49 V50 L53 G91 L96 V126 S127W41-F94 HydrophobicContact CH2-CB 4.12Å; W41-F94 HydrophobicContact CZ3-CB 3.98Å; Q46-F94 HydrophobicContact CB-CE1 4.31Å; E49-F94 HydrophobicContact CB-CE1 4.21Å; E49-F94 HydrophobicContact CB-CZ 4.24Å; E49-F94 HydrophobicContact CG-CE1 4.1Å; E49-F94 HydrophobicContact CG-CZ 3.94Å; V50-F94 HydrophobicContact CG2-CD2 4.48Å; V50-F94 HydrophobicContact CG2-CE1 4.17Å; V50-F94 HydrophobicContact CG2-CE2 3.67Å; V50-F94 HydrophobicContact CG2-CZ 3.49Å; V50-F94 VanDerWaalsContact CG2-CZ 3.49Å; L53-F94 HydrophobicContact CD1-CE2 3.93Å; L53-F94 HydrophobicContact CD1-CZ 3.85Å; G91-F94 PolarHBondContact N-O 2.82Å; F94-L96 HydrophobicContact CD2-CB 4.11Å; F94-L96 HydrophobicContact CE2-CB 4.07Å; F94-L96 HydrophobicContact CE2-CD1 4.23Å; F94-V126 HydrophobicContact CB-CG1 3.54Å; F94-V126 HydrophobicContact CD1-CG1 4.48Å; F94-V126 HydrophobicContact CD2-CG1 3.54Å; F94-V126 HydrophobicContact CE2-CG1 4.35Å; F94-V126 HydrophobicContact CG-CG1 3.62Å; F94-S127 CarbonylContact C-O 3.6Å; F94-S127 VanDerWaalsContact CA-O 3.29Å; F94-S127 WeakPolarHBondContact CA-O 3.43Å; F94-S127 VanDerWaalsContact CB-O 3.31Å; F94-S127 WeakPolarHBondContact CB-O 3.31Å
95N92.9Very high89.3Confident46 Ų4674.6 Ų74.625%0.24637%0.365CS..EExtended strand (participates in β ladder)trans-99.6138.7163.7-66.8-32.9000109.1V126 S127N95-V126 WeakPolarHBondContact O-CA 3.27Å; N95-S127 PolarHBondContact N-O 3.02Å; N95-S127 PolarHBondContact O-N 3.43Å
96L94Very high88.6Confident3 Ų377.7 Ų77.72%0.01637%0.373CS..EExtended strand (participates in β ladder)trans-123.8132.9-178.9177.2152.9000110.6V50 V54 F87 F88 M89 F94 A98 V124 C125 V126V50-L96 HydrophobicContact CB-CD1 4.38Å; V50-L96 HydrophobicContact CG1-CD1 3.86Å; V50-L96 HydrophobicContact CG2-CD1 4.03Å; V54-L96 HydrophobicContact CG1-CD1 4.02Å; V54-L96 HydrophobicContact CG1-CD2 4.44Å; F87-L96 HydrophobicContact CD1-CD2 3.7Å; F87-L96 HydrophobicContact CE1-CD2 3.73Å; F88-L96 WeakPolarHBondContact CA-O 3.34Å; M89-L96 HydrophobicContact CB-CD2 4.44Å; M89-L96 PolarHBondContact N-O 2.81Å; M89-L96 WeakPolarHBondContact O-CA 3.33Å; M89-L96 WeakPolarHBondContact O-CB 3.4Å; M89-L96 PolarHBondContact O-N 3.48Å; F94-L96 HydrophobicContact CD2-CB 4.11Å; F94-L96 HydrophobicContact CE2-CB 4.07Å; F94-L96 HydrophobicContact CE2-CD1 4.23Å; L96-A98 HydrophobicContact CD2-CB 3.99Å; L96-V124 HydrophobicContact CD1-CG1 3.51Å; L96-V124 HydrophobicContact CD2-CG1 4.31Å; L96-V124 HydrophobicContact CG-CG1 3.73Å; L96-C125 WeakPolarHBondContact CA-O 3.34Å; L96-V126 HydrophobicContact CD1-CG2 4.23Å; L96-V126 HydrophobicContact CG-CG2 4.39Å
97V94.9Very high88.1Confident62 Ų6280 Ų8038%0.37638%0.38SS..EExtended strand (participates in β ladder)trans-124.3128.3170.4-173.60000108.1F87 F88 C125F87-V97 CarbonylContact O-C 3.6Å; F87-V97 WeakPolarHBondContact O-CA 3.4Å; F88-V97 HydrophobicContact CD1-CB 4.24Å; F88-V97 HydrophobicContact CD1-CG1 3.88Å; F88-V97 HydrophobicContact CD1-CG2 3.66Å; F88-V97 HydrophobicContact CE1-CB 4.19Å; F88-V97 HydrophobicContact CE1-CG1 3.46Å; F88-V97 VanDerWaalsContact CE1-CG1 3.46Å; F88-V97 HydrophobicContact CE1-CG2 3.72Å; F88-V97 HydrophobicContact CZ-CG1 3.93Å; V97-C125 PolarHBondContact N-O 3.18Å; V97-C125 PolarHBondContact O-N 2.89Å
98A95.3Very high87.2Confident2 Ų288.3 Ų88.32%0.01741%0.41CS..EExtended strand (participates in β ladder)trans-137.5152.1179.400000113.3F87 L96 Y122 V123 V124F87-A98 HydrophobicContact CB-CB 4.47Å; F87-A98 HydrophobicContact CD1-CB 4.16Å; F87-A98 PolarHBondContact N-O 3.47Å; F87-A98 PolarHBondContact O-N 2.88Å; L96-A98 HydrophobicContact CD2-CB 3.99Å; A98-Y122 HydrophobicContact CB-CD1 4.29Å; A98-Y122 HydrophobicContact CB-CE1 3.5Å; A98-Y122 HydrophobicContact CB-CE2 3.88Å; A98-Y122 WeakPolarHBondContact CB-OH 3.38Å; A98-V123 CarbonylContact C-O 3.53Å; A98-V123 WeakPolarHBondContact CA-O 3.3Å; A98-V123 WeakPolarHBondContact CB-O 3.19Å; A98-V124 HydrophobicContact CB-CB 4.29Å; A98-V124 HydrophobicContact CB-CG1 4.35Å; A98-V124 HydrophobicContact CB-CG2 3.83Å
99N94.7Very high86.4Confident58 Ų5883.3 Ų83.331%0.3139%0.393SS..EExtended strand (participates in β ladder)trans-151143.7-176.8-164.21000112.3L101 V123N99-L101 PolarHBondContact O-N 2.87Å; N99-V123 PolarHBondContact N-O 2.89Å; N99-V123 PolarHBondContact O-N 2.9Å
100F93.9Very high85.6Confident19 Ų1986.1 Ų86.18%0.08341%0.414CS..EExtended strand (participates in β ladder)trans-83.1112.7171.4-71.2-81.8000110.4V58 R61 A84 F118 E120 R121 Y122V58-F100 HydrophobicContact CG2-CE1 4.26Å; V58-F100 HydrophobicContact CG2-CZ 3.87Å; R61-F100 HydrophobicContact CB-CD2 4.31Å; R61-F100 HydrophobicContact CB-CE1 4.1Å; R61-F100 HydrophobicContact CB-CE2 3.65Å; R61-F100 HydrophobicContact CB-CZ 3.55Å; R61-F100 HydrophobicContact CG-CD1 3.95Å; R61-F100 HydrophobicContact CG-CD2 3.83Å; R61-F100 HydrophobicContact CG-CE1 3.82Å; R61-F100 HydrophobicContact CG-CE2 3.68Å; R61-F100 HydrophobicContact CG-CG 3.97Å; R61-F100 HydrophobicContact CG-CZ 3.69Å; A84-F100 HydrophobicContact CB-CB 3.97Å; A84-F100 HydrophobicContact CB-CD2 3.61Å; A84-F100 HydrophobicContact CB-CG 4.2Å; F100-F118 HydrophobicContact CD1-CE1 4.3Å; F100-F118 HydrophobicContact CE1-CE1 4.39Å; F100-E120 HydrophobicContact CB-CB 4.2Å; F100-E120 HydrophobicContact CD1-CB 4.17Å; F100-R121 WeakPolarHBondContact CA-O 3.48Å; F100-Y122 AromaticContact CD1-CD2 3.58Å; F100-Y122 HydrophobicContact CD1-CD2 3.58Å; F100-Y122 HydrophobicContact CD1-CE2 4.35Å; F100-Y122 HydrophobicContact CD1-CG 4.29Å; F100-Y122 AromaticContact CD2-CD2 3.58Å; F100-Y122 HydrophobicContact CD2-CD2 3.58Å; F100-Y122 AromaticContact CD2-CE2 3.51Å; F100-Y122 HydrophobicContact CD2-CE2 3.51Å; F100-Y122 AromaticContact CE1-CD2 3.41Å; F100-Y122 HydrophobicContact CE1-CD2 3.41Å; F100-Y122 VanDerWaalsContact CE1-CD2 3.41Å; F100-Y122 HydrophobicContact CE1-CE2 4.08Å; F100-Y122 AromaticContact CE1-CG 3.87Å; F100-Y122 HydrophobicContact CE1-CG 3.87Å; F100-Y122 AromaticContact CE2-CD2 3.42Å; F100-Y122 HydrophobicContact CE2-CD2 3.42Å; F100-Y122 VanDerWaalsContact CE2-CD2 3.42Å; F100-Y122 AromaticContact CE2-CE2 3.18Å; F100-Y122 HydrophobicContact CE2-CE2 3.18Å; F100-Y122 HydrophobicContact CE2-CG 4.45Å; F100-Y122 AromaticContact CG-CD2 3.65Å; F100-Y122 HydrophobicContact CG-CD2 3.65Å; F100-Y122 HydrophobicContact CG-CE2 4.08Å; F100-Y122 AromaticContact CZ-CD2 3.31Å; F100-Y122 HydrophobicContact CZ-CD2 3.31Å; F100-Y122 AromaticContact CZ-CE2 3.48Å; F100-Y122 HydrophobicContact CZ-CE2 3.48Å; F100-Y122 VanDerWaalsContact CZ-CE2 3.48Å; F100-Y122 AromaticContact CZ-CG 3.94Å; F100-Y122 HydrophobicContact CZ-CG 3.94Å
101L91.4Very high84.6Confident71 Ų7182.3 Ų82.337%0.37241%0.409SS..EExtended strand (participates in β ladder)trans-105.4140.5173.9-57.7-171.8000110.2N99 E120 R121 V123N99-L101 PolarHBondContact O-N 2.87Å; L101-E120 CarbonylContact O-C 3.54Å; L101-E120 WeakPolarHBondContact O-CA 3.35Å; L101-R121 HydrophobicContact CB-CG 4.22Å; L101-R121 PolarHBondContact N-O 2.88Å; L101-R121 WeakPolarHBondContact O-CG 3.48Å; L101-R121 PolarHBondContact O-N 2.92Å; L101-V123 HydrophobicContact CB-CG2 4.46Å; L101-V123 HydrophobicContact CD1-CB 4.4Å; L101-V123 HydrophobicContact CD1-CG2 3.68Å; L101-V123 HydrophobicContact CG-CG2 4.02Å
102R89.1Confident83.3Confident111 Ų11192.5 Ų92.542%0.41945%0.451SS..EExtended strand (participates in β ladder)trans-66.7145.9173.1-70.1-170-176.7164.910.6111.2E80 L81 E120E80-R102 VanDerWaalsContact CD-NH2 3.26Å; E80-R102 VanDerWaalsContact CG-NH2 3.32Å; E80-R102 IonicContact OE1-CZ 2.75Å; E80-R102 IonicContact OE1-NH1 3.47Å; E80-R102 PolarHBondContact OE1-NH1 2.83Å; E80-R102 IonicContact OE1-NH2 3.14Å; E80-R102 PolarHBondContact OE1-NH2 3.14Å; E80-R102 IonicContact OE2-NH1 2.73Å; E80-R102 PolarHBondContact OE2-NH1 2.82Å; L81-R102 PolarHBondContact O-NH2 3.33Å; R102-E120 HydrophobicContact CG-CG 4.1Å
103R81.2Confident82.2Confident38 Ų3888.1 Ų88.114%0.14344%0.439CS..  trans-89.2133.6172-58.8-178.2-55.3-175.411.3108.8L117 F118 P119 R121R103-L117 PolarHBondContact NH2-O 3.17Å; R103-F118 PolarHBondContact NE-O 3.05Å; R103-F118 PolarHBondContact NH1-O 2.94Å; R103-F118 VanDerWaalsContact NH1-O 3.13Å; R103-F118 PolarHBondContact NH2-O 2.93Å; R103-P119 WeakPolarHBondContact CG-O 3.46Å; R103-P119 PolarHBondContact N-O 3.1Å; R103-P119 PolarHBondContact NE-O 3.44Å; R103-P119 VanDerWaalsContact NE-O 3.12Å; R103-R121 HydrophobicContact CG-CB 3.96Å; R103-R121 HydrophobicContact CG-CG 3.92Å
104H73.1Confident81.5Confident196 Ų19690.7 Ų90.791%0.90745%0.453SS*.SBendtrans-79.3-9.7173.7-61.1-81.5000112.5
105S73.9Confident81.2Confident67 Ų6792 Ų9247%0.46946%0.46SS..SBendtrans-119.6135.7179.555.40000112.1L107S105-L107 PolarHBondContact O-N 3.32Å; S105-L107 VanDerWaalsContact O-N 3.15Å
106N69.6Low81Confident170 Ų17096.6 Ų96.691%0.90947%0.474SS*.  trans-82.288.1173.4-69.7-59.2000109.8
107L77.3Confident80.8Confident87 Ų8798.4 Ų98.446%0.45548%0.483SS..  trans-71.8144.9171.6-59.2178000110.6S105 L117S105-L107 PolarHBondContact O-N 3.32Å; S105-L107 VanDerWaalsContact O-N 3.15Å; L107-L117 HydrophobicContact CB-CD1 3.49Å; L107-L117 VanDerWaalsContact CB-CD1 3.49Å
108R74.2Confident80.6Confident216 Ų21695.5 Ų95.582%0.81547%0.466SS*.  trans-116.6141.7170.864.7-174.2178.4-155.3-0.4110.2
109C75.5Confident80.4Confident40 Ų4097.6 Ų97.627%0.2748%0.479SS..  trans-70.3138.7170.5-162.30000108.9L115 L117C109-L115 WeakPolarHBondContact CB-O 3.37Å; C109-L117 HydrophobicContact CB-CG 4.31Å
110V75.1Confident80.2Confident133 Ų13395.1 Ų95.181%0.80647%0.466SS*.  trans-108.7-2.6177.8-169.30000111.2
111V72.7Confident80.1Confident92 Ų9298.2 Ų98.256%0.55848%0.477SS*.SBendtrans-65.8145.4173.5-175.30000109.2Q113V111-Q113 HydrophobicContact CG1-CB 4.42Å; V111-Q113 HydrophobicContact CG1-CG 4.49Å; V111-Q113 PolarHBondContact O-N 2.8Å; V111-Q113 VanDerWaalsContact O-O 3.14Å
112K60.9Low80.3Confident224 Ų22494.9 Ų94.997%0.97446%0.459SS*.SBendtrans-61.7-6179.3-69.2-176.8177178.80115.3
113Q65.8Low80.5Confident109 Ų10990.7 Ų90.751%0.50945%0.446SS..SBendtrans-92.9144.7175.4-64.317912.600109.6K18 V111 L115K18-Q113 VanDerWaalsContact NZ-OE1 3.13Å; V111-Q113 HydrophobicContact CG1-CB 4.42Å; V111-Q113 HydrophobicContact CG1-CG 4.49Å; V111-Q113 PolarHBondContact O-N 2.8Å; V111-Q113 VanDerWaalsContact O-O 3.14Å; Q113-L115 HydrophobicContact CB-CD1 4.32Å; Q113-L115 HydrophobicContact CB-CG 4.19Å; Q113-L115 PolarHBondContact O-N 3.01Å
114D74Confident81.2Confident160 Ų16088.9 Ų88.986%0.85644%0.439SS*.  trans-7336.6-174.9-125.44000114.1
115L86.1Confident82.2Confident29 Ų2981.8 Ų81.815%0.15241%0.411CS..PPolyproline II helixtrans-74126.1-178.1-72.2172.9000111.4K18 C109 Q113K18-L115 HydrophobicContact CD-CD1 4.22Å; K18-L115 HydrophobicContact CD-CD2 4.36Å; K18-L115 HydrophobicContact CG-CD2 4.41Å; C109-L115 WeakPolarHBondContact CB-O 3.37Å; Q113-L115 HydrophobicContact CB-CD1 4.32Å; Q113-L115 HydrophobicContact CB-CG 4.19Å; Q113-L115 PolarHBondContact O-N 3.01Å
116R87.5Confident83.1Confident141 Ų14178.6 Ų78.653%0.53239%0.389SS..EExtended strand (participates in β ladder)trans-90.5129.3179.8-60.7177.2-176.5-136.5-5.8109.1N21 F22 A23 F118N21-R116 PolarHBondContact O-N 2.88Å; F22-R116 CarbonylContact C-O 3.59Å; F22-R116 WeakPolarHBondContact CA-O 3.44Å; F22-R116 HydrophobicContact CD1-CB 3.68Å; F22-R116 WeakPolarHBondContact CD1-O 3.36Å; F22-R116 HydrophobicContact CE1-CB 3.55Å; F22-R116 HydrophobicContact CG-CB 4.49Å; F22-R116 HydrophobicContact CZ-CB 4.27Å; A23-R116 PolarHBondContact N-O 3.19Å; R116-F118 PolarHBondContact O-N 2.86Å
117L89.9Confident84.1Confident42 Ų4271.9 Ų71.922%0.2236%0.355CS..EExtended strand (participates in β ladder)trans-74.4120.8173.7-77.5171.8000110A23 R103 L107 C109A23-L117 HydrophobicContact CB-CD2 3.78Å; A23-L117 WeakPolarHBondContact O-CA 3.45Å; R103-L117 PolarHBondContact NH2-O 3.17Å; L107-L117 HydrophobicContact CB-CD1 3.49Å; L107-L117 VanDerWaalsContact CB-CD1 3.49Å; C109-L117 HydrophobicContact CB-CG 4.31Å
118F91.4Very high84.6Confident0 Ų069.3 Ų69.30%034%0.344CS..PPolyproline II helixtrans-59131.2-178.9-168.4-108.3000110.9F22 A23 V24 R61 V62 Y65 F100 R103 R116 E120F22-F118 HydrophobicContact CB-CB 4.5Å; F22-F118 HydrophobicContact CB-CD2 4.47Å; F22-F118 HydrophobicContact CD1-CB 4.3Å; F22-F118 HydrophobicContact CD1-CD2 4Å; F22-F118 HydrophobicContact CG-CD2 4.23Å; A23-F118 PolarHBondContact O-N 2.96Å; V24-F118 HydrophobicContact CB-CB 4.33Å; V24-F118 HydrophobicContact CG1-CD1 4.48Å; V24-F118 HydrophobicContact CG2-CB 3.59Å; V24-F118 HydrophobicContact CG2-CD1 4.22Å; V24-F118 HydrophobicContact CG2-CG 3.88Å; R61-F118 HydrophobicContact CG-CE1 4Å; R61-F118 HydrophobicContact CG-CZ 3.91Å; V62-F118 HydrophobicContact CB-CE2 4.26Å; V62-F118 HydrophobicContact CG2-CD2 3.73Å; V62-F118 HydrophobicContact CG2-CE2 3.8Å; V62-F118 HydrophobicContact CG2-CG 4.25Å; V62-F118 HydrophobicContact CG2-CZ 4.36Å; Y65-F118 VanDerWaalsContact CB-CE2 3.48Å; Y65-F118 AromaticContact CD1-CD2 3.95Å; Y65-F118 HydrophobicContact CD1-CD2 3.95Å; Y65-F118 AromaticContact CD1-CE2 3.52Å; Y65-F118 HydrophobicContact CD1-CE2 3.52Å; Y65-F118 HydrophobicContact CD1-CZ 4.49Å; Y65-F118 HydrophobicContact CE1-CE2 4.43Å; Y65-F118 AromaticContact CG-CE2 3.69Å; Y65-F118 HydrophobicContact CG-CE2 3.69Å; Y65-F118 HydrophobicContact CG-CZ 4.29Å; F100-F118 HydrophobicContact CD1-CE1 4.3Å; F100-F118 HydrophobicContact CE1-CE1 4.39Å; R103-F118 PolarHBondContact NE-O 3.05Å; R103-F118 PolarHBondContact NH1-O 2.94Å; R103-F118 VanDerWaalsContact NH1-O 3.13Å; R103-F118 PolarHBondContact NH2-O 2.93Å; R116-F118 PolarHBondContact O-N 2.86Å; F118-E120 HydrophobicContact CD1-CB 4.07Å; F118-E120 WeakPolarHBondContact CD1-O 3.25Å; F118-E120 HydrophobicContact CE1-CB 3.85Å; F118-E120 HydrophobicContact CE1-CG 4.46Å; F118-E120 PolarHBondContact O-N 2.87Å; F118-E120 VanDerWaalsContact O-O 3.08Å
119P90Very high84.9Confident46 Ų4660 Ų6030%0.29931%0.312SS..SBendtrans-62.9-28.6-166.624.5-35.8000114.4Y65 R103Y65-P119 HydrophobicContact CD1-CG 4.47Å; Y65-P119 HydrophobicContact CD2-CG 4.42Å; Y65-P119 HydrophobicContact CE1-CG 3.97Å; Y65-P119 HydrophobicContact CE2-CG 3.93Å; R103-P119 WeakPolarHBondContact CG-O 3.46Å; R103-P119 PolarHBondContact N-O 3.1Å; R103-P119 PolarHBondContact NE-O 3.44Å; R103-P119 VanDerWaalsContact NE-O 3.12Å
120E92.1Very high84.8Confident7 Ų765.9 Ų65.93%0.03334%0.335CS..EExtended strand (participates in β ladder)trans-93.2149.6174.5-61.5169.816600109.9R61 F100 L101 R102 F118R61-E120 IonicContact CZ-OE1 2.72Å; R61-E120 IonicContact CZ-OE2 3.3Å; R61-E120 VanDerWaalsContact CZ-OE2 3.3Å; R61-E120 IonicContact NE-OE2 2.83Å; R61-E120 PolarHBondContact NE-OE2 2.93Å; R61-E120 VanDerWaalsContact NH2-CD 3.31Å; R61-E120 IonicContact NH2-OE1 3.79Å; R61-E120 PolarHBondContact NH2-OE1 2.9Å; R61-E120 IonicContact NH2-OE2 2.92Å; R61-E120 PolarHBondContact NH2-OE2 2.86Å; F100-E120 HydrophobicContact CB-CB 4.2Å; F100-E120 HydrophobicContact CD1-CB 4.17Å; L101-E120 CarbonylContact O-C 3.54Å; L101-E120 WeakPolarHBondContact O-CA 3.35Å; R102-E120 HydrophobicContact CG-CG 4.1Å; F118-E120 HydrophobicContact CD1-CB 4.07Å; F118-E120 WeakPolarHBondContact CD1-O 3.25Å; F118-E120 HydrophobicContact CE1-CB 3.85Å; F118-E120 HydrophobicContact CE1-CG 4.46Å; F118-E120 PolarHBondContact O-N 2.87Å; F118-E120 VanDerWaalsContact O-O 3.08Å
121R92.3Very high83.9Confident84 Ų8464.3 Ų64.332%0.31732%0.322SS..EExtended strand (participates in β ladder)trans-99.3149.616554.3166.3173.9169.52.7108.8D27 F100 L101 R103 V123D27-R121 WeakPolarHBondContact OD2-CD 3.48Å; D27-R121 IonicContact OD2-CZ 2.69Å; D27-R121 IonicContact OD2-NE 2.9Å; D27-R121 IonicContact OD2-NH1 3.95Å; D27-R121 PolarHBondContact OD2-NH1 3.14Å; F100-R121 WeakPolarHBondContact CA-O 3.48Å; L101-R121 HydrophobicContact CB-CG 4.22Å; L101-R121 PolarHBondContact N-O 2.88Å; L101-R121 WeakPolarHBondContact O-CG 3.48Å; L101-R121 PolarHBondContact O-N 2.92Å; R103-R121 HydrophobicContact CG-CB 3.96Å; R103-R121 HydrophobicContact CG-CG 3.92Å; R121-V123 HydrophobicContact CG-CG2 4.45Å
122Y94.5Very high82.7Confident1 Ų164.1 Ų64.10%0.00433%0.33CS..EExtended strand (participates in β ladder)trans-99.9112.1174.9-160-129.6000109L25 V26 D27 V54 V58 F87 A98 F100 V124L25-Y122 PolarHBondContact O-N 3.29Å; V26-Y122 CarbonylContact C-O 3.59Å; V26-Y122 VanDerWaalsContact CA-O 3.27Å; V26-Y122 WeakPolarHBondContact CA-O 3.23Å; V26-Y122 HydrophobicContact CG1-CD1 4.49Å; D27-Y122 PolarHBondContact N-O 3.48Å; V54-Y122 HydrophobicContact CB-CD1 4.22Å; V54-Y122 HydrophobicContact CB-CE1 3.69Å; V54-Y122 HydrophobicContact CG1-CD1 4.39Å; V54-Y122 HydrophobicContact CG1-CE1 3.7Å; V58-Y122 HydrophobicContact CG2-CD1 3.94Å; V58-Y122 HydrophobicContact CG2-CE1 4.24Å; V58-Y122 HydrophobicContact CG2-CG 4.22Å; F87-Y122 WeakPolarHBondContact CB-OH 3.42Å; F87-Y122 WeakPolarHBondContact CD1-OH 3.46Å; F87-Y122 WeakPolarHBondContact CG-OH 3.47Å; A98-Y122 HydrophobicContact CB-CD1 4.29Å; A98-Y122 HydrophobicContact CB-CE1 3.5Å; A98-Y122 HydrophobicContact CB-CE2 3.88Å; A98-Y122 WeakPolarHBondContact CB-OH 3.38Å; F100-Y122 AromaticContact CD1-CD2 3.58Å; F100-Y122 HydrophobicContact CD1-CD2 3.58Å; F100-Y122 HydrophobicContact CD1-CE2 4.35Å; F100-Y122 HydrophobicContact CD1-CG 4.29Å; F100-Y122 AromaticContact CD2-CD2 3.58Å; F100-Y122 HydrophobicContact CD2-CD2 3.58Å; F100-Y122 AromaticContact CD2-CE2 3.51Å; F100-Y122 HydrophobicContact CD2-CE2 3.51Å; F100-Y122 AromaticContact CE1-CD2 3.41Å; F100-Y122 HydrophobicContact CE1-CD2 3.41Å; F100-Y122 VanDerWaalsContact CE1-CD2 3.41Å; F100-Y122 HydrophobicContact CE1-CE2 4.08Å; F100-Y122 AromaticContact CE1-CG 3.87Å; F100-Y122 HydrophobicContact CE1-CG 3.87Å; F100-Y122 AromaticContact CE2-CD2 3.42Å; F100-Y122 HydrophobicContact CE2-CD2 3.42Å; F100-Y122 VanDerWaalsContact CE2-CD2 3.42Å; F100-Y122 AromaticContact CE2-CE2 3.18Å; F100-Y122 HydrophobicContact CE2-CE2 3.18Å; F100-Y122 HydrophobicContact CE2-CG 4.45Å; F100-Y122 AromaticContact CG-CD2 3.65Å; F100-Y122 HydrophobicContact CG-CD2 3.65Å; F100-Y122 HydrophobicContact CG-CE2 4.08Å; F100-Y122 AromaticContact CZ-CD2 3.31Å; F100-Y122 HydrophobicContact CZ-CD2 3.31Å; F100-Y122 AromaticContact CZ-CE2 3.48Å; F100-Y122 HydrophobicContact CZ-CE2 3.48Å; F100-Y122 VanDerWaalsContact CZ-CE2 3.48Å; F100-Y122 AromaticContact CZ-CG 3.94Å; F100-Y122 HydrophobicContact CZ-CG 3.94Å; Y122-V124 HydrophobicContact CD1-CG2 3.57Å; Y122-V124 HydrophobicContact CE1-CG2 3.84Å; Y122-V124 HydrophobicContact CG-CG2 4.43Å
123V94.4Very high82.1Confident22 Ų2257.4 Ų57.413%0.13331%0.312CS..EExtended strand (participates in β ladder)trans-93.1126.2175.7-177.40000107.6D27 A98 N99 L101 R121D27-V123 HydrophobicContact CB-CG2 4.33Å; D27-V123 WeakPolarHBondContact O-CA 3.37Å; A98-V123 CarbonylContact C-O 3.53Å; A98-V123 WeakPolarHBondContact CA-O 3.3Å; A98-V123 WeakPolarHBondContact CB-O 3.19Å; N99-V123 PolarHBondContact N-O 2.89Å; N99-V123 PolarHBondContact O-N 2.9Å; L101-V123 HydrophobicContact CB-CG2 4.46Å; L101-V123 HydrophobicContact CD1-CB 4.4Å; L101-V123 HydrophobicContact CD1-CG2 3.68Å; L101-V123 HydrophobicContact CG-CG2 4.02Å; R121-V123 HydrophobicContact CG-CG2 4.45Å
124V95.3Very high81.2Confident0 Ų057.4 Ų57.40%032%0.319CS..EExtended strand (participates in β ladder)trans-121119.3-177.5-177.60000107.8V26 D27 L28 H29 V50 V54 L96 A98 Y122 V126V26-V124 HydrophobicContact CG1-CB 4.38Å; V26-V124 HydrophobicContact CG1-CG2 3.55Å; D27-V124 PolarHBondContact O-N 3.3Å; L28-V124 CarbonylContact C-O 3.57Å; L28-V124 WeakPolarHBondContact CA-O 3.44Å; L28-V124 HydrophobicContact CD1-CB 4.05Å; L28-V124 HydrophobicContact CD1-CG1 3.83Å; H29-V124 PolarHBondContact N-O 3.34Å; V50-V124 HydrophobicContact CG1-CG1 4Å; V54-V124 HydrophobicContact CG1-CG1 4.43Å; V54-V124 HydrophobicContact CG1-CG2 4.04Å; L96-V124 HydrophobicContact CD1-CG1 3.51Å; L96-V124 HydrophobicContact CD2-CG1 4.31Å; L96-V124 HydrophobicContact CG-CG1 3.73Å; A98-V124 HydrophobicContact CB-CB 4.29Å; A98-V124 HydrophobicContact CB-CG1 4.35Å; A98-V124 HydrophobicContact CB-CG2 3.83Å; Y122-V124 HydrophobicContact CD1-CG2 3.57Å; Y122-V124 HydrophobicContact CE1-CG2 3.84Å; Y122-V124 HydrophobicContact CG-CG2 4.43Å; V124-V126 HydrophobicContact CG1-CG2 3.97Å
125C93.6Very high80Confident47 Ų4758 Ų5832%0.31832%0.316SS..EExtended strand (participates in β ladder)trans-105.7133.2172.4-62.80000108.9H29 L96 V97H29-C125 CarbonylContact O-C 3.54Å; H29-C125 WeakPolarHBondContact O-CA 3.33Å; L96-C125 WeakPolarHBondContact CA-O 3.34Å; V97-C125 PolarHBondContact N-O 3.18Å; V97-C125 PolarHBondContact O-N 2.89Å
126V92.9Very high77.8Confident0 Ų065.1 Ų65.10%035%0.348CS..EExtended strand (participates in β ladder)trans-126.7131.7-178.5-171.10000109.5L28 H29 L31 W41 F42 V50 F94 N95 L96 V124L28-V126 HydrophobicContact CD1-CG2 3.56Å; H29-V126 PolarHBondContact O-N 3.19Å; L31-V126 PolarHBondContact N-O 3.43Å; W41-V126 HydrophobicContact CH2-CG1 4.1Å; F42-V126 HydrophobicContact CD2-CG1 4.36Å; F42-V126 HydrophobicContact CE2-CB 4.39Å; F42-V126 HydrophobicContact CE2-CG1 3.91Å; V50-V126 HydrophobicContact CG2-CG2 4.03Å; F94-V126 HydrophobicContact CB-CG1 3.54Å; F94-V126 HydrophobicContact CD1-CG1 4.48Å; F94-V126 HydrophobicContact CD2-CG1 3.54Å; F94-V126 HydrophobicContact CE2-CG1 4.35Å; F94-V126 HydrophobicContact CG-CG1 3.62Å; N95-V126 WeakPolarHBondContact O-CA 3.27Å; L96-V126 HydrophobicContact CD1-CG2 4.23Å; L96-V126 HydrophobicContact CG-CG2 4.39Å; V124-V126 HydrophobicContact CG1-CG2 3.97Å
127S90.8Very high75.4Confident29 Ų2961 Ų6120%0.20335%0.35CS..EExtended strand (participates in β ladder)trans-121.3154.4175.977.30000111.1F94 N95F94-S127 CarbonylContact C-O 3.6Å; F94-S127 VanDerWaalsContact CA-O 3.29Å; F94-S127 WeakPolarHBondContact CA-O 3.43Å; F94-S127 VanDerWaalsContact CB-O 3.31Å; F94-S127 WeakPolarHBondContact CB-O 3.31Å; N95-S127 PolarHBondContact N-O 3.02Å; N95-S127 PolarHBondContact O-N 3.43Å
128C87Confident72.7Confident34 Ų3465.8 Ų65.823%0.2338%0.375CS..  trans-52.3141.7160.6-162.90000108.3L33 W41 E130L33-C128 HydrophobicContact CD1-CB 3.83Å; L33-C128 HydrophobicContact CD2-CB 4.41Å; W41-C128 VanDerWaalsContact CH2-N 3.28Å; W41-C128 HydrophobicContact CZ2-CB 4.29Å; W41-C128 VanDerWaalsContact CZ2-N 3.29Å; C128-E130 PolarHBondContact O-N 2.83Å
129P82.1Confident70.7Confident20 Ų2071.4 Ų71.413%0.1341%0.412CS..  trans-67.1134.6173.729.7-32.4000108N93 D131N93-P129 VanDerWaalsContact O-CD 3.24Å; N93-P129 WeakPolarHBondContact O-CD 3.37Å; P129-D131 PolarHBondContact O-N 2.82Å
130E72.9Confident68.9Low163 Ų16373.2 Ų73.276%0.76243%0.425SS*.  trans-63.6105.5166.1-78.7109.7160.500109.1C128 A132C128-E130 PolarHBondContact O-N 2.83Å; E130-A132 PolarHBondContact O-N 3.39Å
131D56.1Low66.5Low101 Ų10180.7 Ų80.754%0.5447%0.465SS..  trans-62.5106.5169.8-86.9-31.9000109P129 S133 V134P129-D131 PolarHBondContact O-N 2.82Å; D131-S133 PolarHBondContact O-N 3.03Å; D131-V134 HydrophobicContact CB-CG2 4.07Å; D131-V134 PolarHBondContact O-N 3.44Å
132A48.1Very low63.8Low87 Ų8781.5 Ų81.572%0.71949%0.49SS*.THydrogen-bonded Turntrans-60.4-5.7177.300000113.8E130E130-A132 PolarHBondContact O-N 3.39Å
133S47.7Very low61.3Low84 Ų8484.9 Ų84.959%0.58752%0.517SS*.THydrogen-bonded Turntrans-81.4-19.917454.40000114.2D131 H135 H136D131-S133 PolarHBondContact O-N 3.03Å; S133-H135 PolarHBondContact O-N 2.88Å; S133-H136 PolarHBondContact O-N 2.96Å
134V46.6Very low58.5Low109 Ų10990 Ų9066%0.66155%0.549SS*.G310 helixtrans-70.5-15.1-179.7-172.80000112D131D131-V134 HydrophobicContact CB-CG2 4.07Å; D131-V134 PolarHBondContact O-N 3.44Å
135H48.6Very low56Low171 Ų17199.2 Ų99.279%0.79259%0.592SS**G310 helixtrans-87.89.7173.4-74.8-42.2000115.7S133S133-H135 PolarHBondContact O-N 2.88Å
136H40.9Very low53.4Low180 Ų180103 Ų10383%0.83361%0.608SS**G310 helixtrans-1089.5165.3-77-50.8000114.5S133S133-H136 PolarHBondContact O-N 2.96Å
137G36.9Very low51.1Low55 Ų55108 Ų10857%0.56764%0.644SS**SBendtrans-77.2114.1153.500000109.8
138N33.3Very low49.1Very low141 Ų141115.8 Ų115.875%0.75468%0.677SS**  trans-50.1128.9178.3-100.6-42.6000112.3S140N138-S140 PolarHBondContact O-N 2.6Å
139P48.6Very low47.3Very low119 Ų119121.7 Ų121.777%0.77370%0.701SS**  trans-76.461.6163.533.2-34.1000110.4
140S51.7Low45.6Very low83 Ų83127 Ų12758%0.5873%0.734SS**  trans-144.9110.1174.1176.40000104.7N138N138-S140 PolarHBondContact O-N 2.6Å
141L42.3Very low44.2Very low165 Ų165130.5 Ų130.586%0.86474%0.739SS**SBend-154.741.364.1-143.3161.3000112.2
142A35.9Very low43.7Very low101 Ų101128.8 Ų128.884%0.83574%0.735SS**SBendtrans-135.45.3-176.500000115
143A40.7Very low44Very low71 Ų71132.8 Ų132.859%0.58774%0.739SS**SBendtrans-107.65.9-173.400000114.6
144T37.6Very low44Very low129 Ų129139.3 Ų139.379%0.79175%0.753SS**SBendtrans-95.3-18.7-174.8-45.40000113.8
145E41.5Very low43.9Very low195 Ų195142.8 Ų142.891%0.91176%0.759SS**SBendtrans-104.19-176.3-67.5-145.9141.600115.6
146L40.2Very low44.4Very low125 Ų125139.4 Ų139.465%0.65476%0.755SS**SBendtrans-132.521.7177.1-119.1151.7000113.8E148L146-E148 VanDerWaalsContact C-N 3.28Å; L146-E148 PolarHBondContact O-N 3.49Å
147S44.1Very low44.4Very low107 Ų107136.1 Ų136.175%0.74875%0.752SS**SBendtrans-79-1.5177.6-169.90000114.5
148E47.6Very low45Very low192 Ų192140.5 Ų140.590%0.89777%0.767SS**SBendtrans-117.9-5.4-174.7-62.8-157144.300115.3L146L146-E148 VanDerWaalsContact C-N 3.28Å; L146-E148 PolarHBondContact O-N 3.49Å
149Q50.7Low45.5Very low158 Ų158136.9 Ų136.974%0.73876%0.764SS**  trans-142.865.8-169.2-151.5161.6-15.400116.1
150T44.8Very low45.8Very low132 Ų132140.2 Ų140.281%0.8177%0.769SS**  trans-125.344.7156.5-33.30000111.9
151R44.7Very low45.2Very low235 Ų235142.1 Ų142.189%0.88778%0.777SS**SBendtrans-78.1114.6158-163.1175-176.1167.1-1.3106.3E153R151-E153 PolarHBondContact O-N 2.94Å
152S46.1Very low45.3Very low65 Ų65146.1 Ų146.146%0.45578%0.781SS.*  trans-61.8127.8-174.2620000111.8Y154 F155S152-Y154 PolarHBondContact O-N 3.31Å; S152-Y154 VanDerWaalsContact O-N 3.08Å; S152-F155 PolarHBondContact O-N 2.86Å; S152-F155 VanDerWaalsContact O-N 3.13Å
153E53.5Low45.9Very low172 Ų172149.5 Ų149.580%0.80478%0.779SS**G310 helixtrans-59.3-23.5-179.9-64.6178.7135.500113.2R151 F155 S156R151-E153 PolarHBondContact O-N 2.94Å; E153-F155 PolarHBondContact O-N 3.2Å; E153-S156 PolarHBondContact O-N 3.28Å
154Y47.9Very low46Very low221 Ų221152.6 Ų152.687%0.86779%0.785SS**G310 helixtrans-58.4-11.4173.6-92.2-90.2000115.9S152S152-Y154 PolarHBondContact O-N 3.31Å; S152-Y154 VanDerWaalsContact O-N 3.08Å
155F44.8Very low46.4Very low182 Ų182154.2 Ų154.280%0.79879%0.788SS**G310 helixtrans-121.221173.4-67.5-71.7000113.3S152 E153 S157S152-F155 PolarHBondContact O-N 2.86Å; S152-F155 VanDerWaalsContact O-N 3.13Å; E153-F155 PolarHBondContact O-N 3.2Å; F155-S157 PolarHBondContact O-N 2.85Å
156S58.6Low46.5Very low99 Ų99156.5 Ų156.569%0.69279%0.789SS**  trans-90.478172.7-161.40000111.4E153E153-S156 PolarHBondContact O-N 3.28Å
157S40Very low46.7Very low111 Ų111154.2 Ų154.278%0.77678%0.783SS**  trans-120.2103.715958.70000109.8F155 G159F155-S157 PolarHBondContact O-N 2.85Å; S157-G159 PolarHBondContact O-N 2.79Å; S157-G159 VanDerWaalsContact O-N 3.09Å
158V50.2Low46.8Very low147 Ų147155.7 Ų155.789%0.89179%0.79SS**  trans-72.199.9166.51740000107.4
159G44.1Very low46.9Very low66 Ų66157.8 Ų157.868%0.6879%0.79SS**  trans-140.5111.7169.500000108.3S157 T161S157-G159 PolarHBondContact O-N 2.79Å; S157-G159 VanDerWaalsContact O-N 3.09Å; G159-T161 PolarHBondContact O-N 3.35Å
160E54.2Low47.1Very low188 Ų188155.4 Ų155.488%0.87978%0.777SS**  trans-69.6117-170.8-64.6177.2113.600112.1
161T40.5Very low48Very low123 Ų123153.7 Ų153.776%0.75577%0.767SS**  trans-146.875.8149.2-49.20000109.5G159 E163G159-T161 PolarHBondContact O-N 3.35Å; T161-E163 PolarHBondContact O-N 2.88Å
162R44.5Very low49Very low249 Ų249151.2 Ų151.294%0.9476%0.762SS**  trans-78.254.1179.8-167-165.7-179.6173.71.1112
163E46.9Very low50Low172 Ų172156 Ų15680%0.80478%0.775SS**  trans-171.8121.8166-118174-175.700112.4T161T161-E163 PolarHBondContact O-N 2.88Å
164L43.6Very low50.8Low136 Ų136150.9 Ų150.971%0.71276%0.755SS**SBendtrans177.7-20.6153.2-107.2158000115.1K170L164-K170 PolarHBondContact O-NZ 3.24Å
165L45.6Very low52.2Low164 Ų164143.9 Ų143.986%0.85974%0.735SS**  trans-110.753.9-173.4-63.2-177.2000113.7
166R43.4Very low53.6Low243 Ų243140.6 Ų140.692%0.91773%0.726SS**  trans-107.671.6165.2-158.7176-165.3153.43.4111.3
167S44.1Very low54.5Low76 Ų76141.2 Ų141.253%0.53172%0.717SS.*  trans172.1136.1149.941.10000113R169S167-R169 VanDerWaalsContact C-N 3.33Å; S167-R169 PolarHBondContact O-N 2.77Å; S167-R169 VanDerWaalsContact O-N 3.07Å
168P46.3Very low56.1Low139 Ų139139.9 Ų139.990%0.90371%0.705SS**THydrogen-bonded Turntrans-8759.7-17836.8-36.8000112.5
169R49.5Very low57.5Low235 Ų235137.6 Ų137.689%0.88769%0.686SS**THydrogen-bonded Turntrans-151.822.5174.9-131.9175.5-174.1179.91.4116.8S167S167-R169 VanDerWaalsContact C-N 3.33Å; S167-R169 PolarHBondContact O-N 2.77Å; S167-R169 VanDerWaalsContact O-N 3.07Å
170K55.8Low58.9Low109 Ų109137.1 Ų137.147%0.47468%0.676SS.*  trans-82.6117.2171.2-65.8-179.8-179.8177.10109.4L164L164-K170 PolarHBondContact O-NZ 3.24Å
171T63.6Low59.8Low96 Ų96134.7 Ų134.759%0.58966%0.663SS**  trans-67.9142.7-177.341.40000111.7K173 T174T171-K173 PolarHBondContact O-N 2.85Å; T171-T174 PolarHBondContact O-N 3.32Å; T171-T174 PolarHBondContact O-OG1 3.09Å
172K65.8Low61.3Low183 Ų183135.7 Ų135.780%0.79666%0.659SS**Hα-helixtrans-48.3-31.2-176.7-68.3-176.8176.1-178.20114.3T174 V175 L176K172-T174 PolarHBondContact O-N 3.47Å; K172-V175 PolarHBondContact O-N 3.22Å; K172-L176 WeakPolarHBondContact O-CG 3.29Å; K172-L176 PolarHBondContact O-N 2.96Å; K172-L176 VanDerWaalsContact O-N 3.1Å
173K67.9Low61.9Low165 Ų165126.5 Ų126.572%0.71764%0.637SS**Hα-helixtrans-58.8-39.3176.7-170.4175.2-178.6178.50113.2T171 Q177T171-K173 PolarHBondContact O-N 2.85Å; K173-Q177 VanDerWaalsContact O-CB 3.32Å; K173-Q177 WeakPolarHBondContact O-CB 3.33Å; K173-Q177 PolarHBondContact O-N 3.4Å
174T68.8Low62.4Low65 Ų65122 Ų12240%0.39962%0.623SS.*Hα-helixtrans-73-40.5-177.659.10000111.8T171 K172 Q177 T178T171-T174 PolarHBondContact O-N 3.32Å; T171-T174 PolarHBondContact O-OG1 3.09Å; K172-T174 PolarHBondContact O-N 3.47Å; T174-Q177 PolarHBondContact O-N 2.95Å; T174-T178 PolarHBondContact O-N 3.13Å; T174-T178 PolarHBondContact O-OG1 3.17Å
175V77.4Confident63.1Low73 Ų73119.3 Ų119.344%0.44261%0.612SS.*Hα-helixtrans-64.3-43.3175.9-178.70000111.3K172 Q177 T178 I179K172-V175 PolarHBondContact O-N 3.22Å; V175-Q177 VanDerWaalsContact C-N 3.33Å; V175-Q177 PolarHBondContact O-N 3.39Å; V175-T178 WeakPolarHBondContact CA-OG1 3.39Å; V175-T178 PolarHBondContact O-N 3.49Å; V175-T178 PolarHBondContact O-OG1 3.08Å; V175-I179 HydrophobicContact CG1-CD1 4.04Å; V175-I179 VanDerWaalsContact O-CG1 3.32Å; V175-I179 WeakPolarHBondContact O-CG1 3.38Å; V175-I179 PolarHBondContact O-N 2.98Å
176L74.6Confident63.5Low114 Ų114118.5 Ų118.560%0.59760%0.604SS**Hα-helixtrans-63.8-38.4174.5-72.6169.2000112.1K172 I179 A180K172-L176 WeakPolarHBondContact O-CG 3.29Å; K172-L176 PolarHBondContact O-N 2.96Å; K172-L176 VanDerWaalsContact O-N 3.1Å; L176-I179 PolarHBondContact O-N 3.38Å; L176-A180 WeakPolarHBondContact O-CB 3.49Å; L176-A180 PolarHBondContact O-N 2.84Å
177Q76.8Confident64Low111 Ų111114.1 Ų114.152%0.51959%0.594SS.*Hα-helixtrans-69-33177.9-166.4174.719.600112.6K173 T174 V175 K181K173-Q177 VanDerWaalsContact O-CB 3.32Å; K173-Q177 WeakPolarHBondContact O-CB 3.33Å; K173-Q177 PolarHBondContact O-N 3.4Å; T174-Q177 PolarHBondContact O-N 2.95Å; V175-Q177 VanDerWaalsContact C-N 3.33Å; V175-Q177 PolarHBondContact O-N 3.39Å; Q177-K181 WeakPolarHBondContact O-CG 3.47Å; Q177-K181 PolarHBondContact O-N 2.86Å
178T74.3Confident64.3Low83 Ų83117.9 Ų117.951%0.50960%0.603SS.*Hα-helixtrans-69.7-41.8171.843.40000112.2T174 V175 A180 K181 Q182T174-T178 PolarHBondContact O-N 3.13Å; T174-T178 PolarHBondContact O-OG1 3.17Å; V175-T178 WeakPolarHBondContact CA-OG1 3.39Å; V175-T178 PolarHBondContact O-N 3.49Å; V175-T178 PolarHBondContact O-OG1 3.08Å; T178-A180 PolarHBondContact O-N 3.47Å; T178-K181 PolarHBondContact O-N 3.45Å; T178-Q182 WeakPolarHBondContact O-CB 3.43Å; T178-Q182 PolarHBondContact O-N 3.39Å
179I80.3Confident64.7Low99 Ų99117.1 Ų117.151%0.50859%0.59SS.*Hα-helixtrans-62.4-44.9176.6-66.9164.1000110.6V175 L176 K181 Q182 A183V175-I179 HydrophobicContact CG1-CD1 4.04Å; V175-I179 VanDerWaalsContact O-CG1 3.32Å; V175-I179 WeakPolarHBondContact O-CG1 3.38Å; V175-I179 PolarHBondContact O-N 2.98Å; L176-I179 PolarHBondContact O-N 3.38Å; I179-K181 PolarHBondContact O-N 2.85Å; I179-Q182 PolarHBondContact O-N 2.79Å; I179-A183 PolarHBondContact O-N 2.98Å
180A73.7Confident64.4Low57 Ų57111.7 Ų111.747%0.47159%0.587SS.*Hα-helixtrans-60.6-42.4177.500000112.5L176 T178 A183 C184L176-A180 WeakPolarHBondContact O-CB 3.49Å; L176-A180 PolarHBondContact O-N 2.84Å; T178-A180 PolarHBondContact O-N 3.47Å; A180-A183 PolarHBondContact O-N 3.41Å; A180-C184 PolarHBondContact O-N 3.45Å; A180-C184 PolarHBondContact O-SG 2.93Å; A180-C184 VanDerWaalsContact O-SG 3.34Å
181K73.1Confident63.7Low137 Ų137109.7 Ų109.760%0.59660%0.597SS**Hα-helixtrans-64.7-40.8175.5-75178.6175.6-168.40112.4Q177 T178 I179 A183 C184 V185Q177-K181 WeakPolarHBondContact O-CG 3.47Å; Q177-K181 PolarHBondContact O-N 2.86Å; T178-K181 PolarHBondContact O-N 3.45Å; I179-K181 PolarHBondContact O-N 2.85Å; K181-A183 VanDerWaalsContact C-N 3.33Å; K181-C184 PolarHBondContact O-N 2.93Å; K181-V185 PolarHBondContact O-N 3.35Å
182Q70.7Confident63Low143 Ų143109.4 Ų109.467%0.66860%0.599SS**Hα-helixtrans-68.7-32.6179.6-162.5168.710.400112.1T178 I179 Q186T178-Q182 WeakPolarHBondContact O-CB 3.43Å; T178-Q182 PolarHBondContact O-N 3.39Å; I179-Q182 PolarHBondContact O-N 2.79Å; Q182-Q186 PolarHBondContact O-N 2.9Å
183A57.8Low61.5Low57 Ų57106.9 Ų106.947%0.47160%0.599SS.*Hα-helixtrans-67.2-39.2172.600000112.9I179 A180 K181 V185 Q186 Q187I179-A183 PolarHBondContact O-N 2.98Å; A180-A183 PolarHBondContact O-N 3.41Å; K181-A183 VanDerWaalsContact C-N 3.33Å; A183-V185 PolarHBondContact O-N 3.17Å; A183-Q186 PolarHBondContact O-N 3.25Å; A183-Q187 PolarHBondContact O-N 3.1Å
184C58Low59.9Low76 Ų76106 Ų10651%0.51461%0.608SS.*Hα-helixtrans-61.3-42.2174.9-66.30000112.2A180 K181 Q186 Q187 E188A180-C184 PolarHBondContact O-N 3.45Å; A180-C184 PolarHBondContact O-SG 2.93Å; A180-C184 VanDerWaalsContact O-SG 3.34Å; K181-C184 PolarHBondContact O-N 2.93Å; C184-Q186 PolarHBondContact O-N 2.91Å; C184-Q187 WeakPolarHBondContact O-CB 3.24Å; C184-Q187 PolarHBondContact O-N 3.47Å; C184-Q187 VanDerWaalsContact O-N 3.08Å; C184-E188 PolarHBondContact O-N 3.24Å
185V57.7Low58.4Low80 Ų80110.4 Ų110.449%0.48562%0.624SS.*Hα-helixtrans-65.8-35.31791770000112.1K181 A183 Q187 E188 I189K181-V185 PolarHBondContact O-N 3.35Å; A183-V185 PolarHBondContact O-N 3.17Å; V185-Q187 VanDerWaalsContact C-N 3.3Å; V185-Q187 PolarHBondContact O-N 2.8Å; V185-E188 PolarHBondContact O-N 3.46Å; V185-I189 HydrophobicContact CG1-CD1 4.23Å; V185-I189 WeakPolarHBondContact O-CG1 3.35Å; V185-I189 PolarHBondContact O-N 3.35Å
186Q54.5Low56.3Low148 Ų148116 Ų11669%0.69265%0.647SS**Hα-helixtrans-68-28.9171.7-84.1-158.6-10.500113.3Q182 A183 C184 I189 C190Q182-Q186 PolarHBondContact O-N 2.9Å; A183-Q186 PolarHBondContact O-N 3.25Å; C184-Q186 PolarHBondContact O-N 2.91Å; Q186-I189 PolarHBondContact O-N 3.07Å; Q186-C190 WeakPolarHBondContact O-CB 3.43Å; Q186-C190 PolarHBondContact O-N 3.14Å
187Q54.2Low54.4Low151 Ų151117.3 Ų117.371%0.70665%0.65SS**Hα-helixtrans-71.9-31.1178.8-163.5170.414.800112.4A183 C184 V185A183-Q187 PolarHBondContact O-N 3.1Å; C184-Q187 WeakPolarHBondContact O-CB 3.24Å; C184-Q187 PolarHBondContact O-N 3.47Å; C184-Q187 VanDerWaalsContact O-N 3.08Å; V185-Q187 VanDerWaalsContact C-N 3.3Å; V185-Q187 PolarHBondContact O-N 2.8Å
188E49.9Very low52.2Low155 Ų155120.3 Ų120.372%0.72466%0.664SS**Hα-helixtrans-70.2-33.5171.1-70.4-179139.100112.4C184 V185C184-E188 PolarHBondContact O-N 3.24Å; V185-E188 PolarHBondContact O-N 3.46Å
189I54Low49.9Very low123 Ų123124.6 Ų124.663%0.63168%0.681SS**Hα-helixtrans-77.3-30.9178.3-62166.2000111.7V185 Q186 G191V185-I189 HydrophobicContact CG1-CD1 4.23Å; V185-I189 WeakPolarHBondContact O-CG1 3.35Å; V185-I189 PolarHBondContact O-N 3.35Å; Q186-I189 PolarHBondContact O-N 3.07Å; I189-G191 VanDerWaalsContact C-N 3.3Å; I189-G191 PolarHBondContact O-N 3Å
190C43Very low47.7Very low120 Ų120128 Ų12881%0.81169%0.694SS**THydrogen-bonded Turntrans-93.927.5178-152.50000113.2Q186Q186-C190 WeakPolarHBondContact O-CB 3.43Å; Q186-C190 PolarHBondContact O-N 3.14Å
191G42.3Very low45.5Very low67 Ų67136.1 Ų136.169%0.69171%0.713SS**THydrogen-bonded Turntrans-115.2-5177.500000115.1I189I189-G191 VanDerWaalsContact C-N 3.3Å; I189-G191 PolarHBondContact O-N 3Å
192S48.1Very low43.4Very low90 Ų90134.6 Ų134.663%0.62972%0.719SS**  trans-139.653.6-161.265.50000115.4
193T35.5Very low41.3Very low131 Ų131131.2 Ų131.280%0.80472%0.723SS**  trans-15195.3163.235.50000112.6
194T34.3Very low40Very low146 Ų146138.7 Ų138.790%0.89675%0.745SS**  trans-176.9127.9131.2-70.10000107.8
195E36.8Very low39.1Very low158 Ų158140.7 Ų140.774%0.73876%0.758SS**  trans-73.5149.7-176.9-63.5170.193.200113.2
196M31.8Very low37.7Very low189 Ų189145.9 Ų145.993%0.93177%0.774SS**  -146.7128.4129.5-132-17874.400110.2
197Q35.5Very low36.8Very low142 Ų142147.8 Ų147.866%0.66478%0.78SS**  trans-76.2154.9-178.4-62.8177.48.300111.5
198Q30.1Very low35.6Very low174 Ų174150 Ų15081%0.81379%0.79SS**  trans58.798.1138.5-171179.965.200118.2
199M27.3Very low34.5Very low173 Ų173145.7 Ų145.785%0.85279%0.787SS**  -159.3129.3112.7-159.766.3-178.500111.8
200E32.7Very low33.3Very low170 Ų170147 Ų14779%0.79479%0.794SS**  trans-67.4124.9168.2170.5-171.1-139.300111.3
201R29.2Very low32.5Very low228 Ų228150 Ų15086%0.8680%0.796SS**  trans-174.9116134.6-108.8175.2170.3154.1-0.9115.9
202S28.6Very low31.8Very low105 Ų105149.9 Ų149.973%0.73480%0.795SS**  trans33.9121.9133.464.40000121.6
203G25.7Very low31Very low73 Ų73156 Ų15675%0.75381%0.811SS**  106.1107.5119.200000118.7
204F31Very low30.6Very low213 Ų213154.6 Ų154.693%0.93481%0.812SS**  trans-67.6140.3149.4-79-90.6000110.1
205P38.9Very low30.3Very low118 Ų118150.5 Ų150.577%0.76680%0.799SS**  -135.7149.7107.231.6-17.6000111.5
206K28.6Very low29.9Very low189 Ų189152.6 Ų152.682%0.82281%0.809SS**  cis85.594.342.8-159.5-177.5-172.7-178.10114.6
207K36Very low29.8Very low188 Ų188147.9 Ų147.982%0.81780%0.8SS**  trans45.6126.4148.6-62.8-168.5175.9-169.60121.7
208Q28.9Very low29.4Very low199 Ų199150 Ų15093%0.9381%0.81SS**  trans-174.4158134.3-99.1149.493.700108.1
209G26.3Very low29.3Very low63 Ų63147.6 Ų147.665%0.64981%0.812SS**  cis137119.1-4.900000112.7
210L28.3Very low29.4Very low151 Ų151149 Ų14979%0.79181%0.808SS**  trans68.3124169-84.760000117.3
211E26.3Very low30Very low183 Ų183146.2 Ų146.286%0.85580%0.804SS**  80.9143.4102.4-73.1-173.9126.800114.9
212G28.1Very low30Very low65 Ų65143 Ų14367%0.6780%0.799SS**  cis169.8169.1-600000111.6
213K31.4Very low29.8Very low219 Ų219142.3 Ų142.395%0.95280%0.8SS**  trans49.8163.5159.3-76.3-167.8175.7-171.40119.6
214A27.6Very low30.2Very low101 Ų101146.9 Ų146.984%0.83581%0.806SS**  cis-154-176.9-12.900000106.2
215G27.2Very low30.8Very low60 Ų60142 Ų14262%0.61980%0.796SS**  cis-153.2176.9700000111.3
216E27.7Very low30.3Very low202 Ų202146 Ų14694%0.94480%0.796SS**  73.5138.7107.8-72.4-167140.900115.4
217A29.9Very low30.3Very low90 Ų90142.4 Ų142.474%0.74480%0.795SS**  cis-146.1-175.212.400000114.4
218E26.8Very low30Very low186 Ų186139.5 Ų139.587%0.86978%0.784SS**  trans-53.2162.1-176.3-54.9172.1115.500116
219S27.8Very low30Very low124 Ų124136.4 Ų136.487%0.86777%0.773SS**  -176.916172.556.50000115.6
220R30.6Very low30.1Very low203 Ų203140.4 Ų140.477%0.76678%0.78SS**  trans-133.8149.3172.1-165.8-139.6157.1176-13.9107.1E222R220-E222 IonicContact NH2-OE1 3.77Å
221P46Very low30.4Very low110 Ų110137.4 Ų137.471%0.71478%0.776SS**  -145.8154.387.728.4-4.9000114.1
222E27.8Very low31Very low161 Ų161134.4 Ų134.475%0.75277%0.773SS**  65.6152.6115.3-58.6-155.1135.400117.6R220R220-E222 IonicContact NH2-OE1 3.77Å
223A25.8Very low31.1Very low91 Ų91140 Ų14075%0.75278%0.784SS**  cis-148.5176.110.400000113
224L33.3Very low31Very low168 Ų168137.2 Ų137.288%0.8877%0.774SS**  trans-90-173.9165.2-70.8164.2000110
225P44.1Very low31.1Very low111 Ų111136.8 Ų136.872%0.72177%0.771SS**  cis-146.7-175.17.541-18.8000118.8
226R27Very low31.4Very low201 Ų201140.2 Ų140.276%0.75878%0.775SS**  trans72.5119.6139.2-101.6178.6151.5167.1-7.2124.2E228R226-E228 IonicContact CZ-OE1 3.22Å; R226-E228 IonicContact NE-OE1 2.86Å; R226-E228 PolarHBondContact NE-OE1 3.24Å; R226-E228 IonicContact NH2-OE1 3.62Å; R226-E228 PolarHBondContact NH2-OE1 2.98Å
227S28.9Very low31.6Very low115 Ų115139.7 Ų139.780%0.80477%0.772SS**  -176.3125.8105.757.10000108.6
228E30Very low31.7Very low126 Ų126146.2 Ų146.259%0.58978%0.778SS**  88.3131.457.3-89.3-179-146.200116.1R226R226-E228 IonicContact CZ-OE1 3.22Å; R226-E228 IonicContact NE-OE1 2.86Å; R226-E228 PolarHBondContact NE-OE1 3.24Å; R226-E228 IonicContact NH2-OE1 3.62Å; R226-E228 PolarHBondContact NH2-OE1 2.98Å
229L28.5Very low32.2Very low134 Ų134143.2 Ų143.270%0.70277%0.772SS**  trans68.2106.3157.4-92.175.8000121.1
230N29.9Very low33.3Very low147 Ų147142.5 Ų142.579%0.78676%0.764SS**  165.4123.393.4-84.9-33.9000116.1
231A33.1Very low33Very low88 Ų88139 Ų13973%0.72777%0.77SS**  trans-120.2173.5134.900000105.6
232P39.5Very low32.7Very low120 Ų120138.3 Ų138.378%0.77977%0.767SS**  cis-140-17212.943.7-25.3000114.9
233M29.4Very low33Very low183 Ų183138.1 Ų138.190%0.90177%0.771SS**  -166.6146.1128.4-113.5-170.187.800113.5
234E29.9Very low33.3Very low160 Ų160137.1 Ų137.175%0.74876%0.763SS**  trans-83.8156.7168.1-70.1172.383.800112.1
235A30.9Very low33.3Very low93 Ų93136.6 Ų136.677%0.76976%0.76SS**  trans-155118.4140.800000110.9
236N33.4Very low32.7Very low132 Ų132138.9 Ų138.971%0.70677%0.765SS**  trans-91131.8168.6-75.8-86.6000109.4
237H31.7Very low33.2Very low191 Ų191137.4 Ų137.488%0.88477%0.766SS**  trans-142.5139.6154.4-75.5-63.2000113.1
238R31.7Very low34.3Very low227 Ų227136.6 Ų136.686%0.85776%0.759SS**  trans-94.2146.8176-96.2-177.7165-139.91.9109.7
239V37.5Very low34.2Very low123 Ų123139.4 Ų139.475%0.74577%0.772SS**  50.7155.3125-176.50000118.3
240P49.8Very low34.3Very low109 Ų109137 Ų13771%0.70877%0.771SS**  cis-120.1-175.9-8.126.3-4.2000113.1
241C25.6Very low34.4Very low130 Ų130137.9 Ų137.988%0.87877%0.77SS**  -160.5125120.8-125.30000111.1
242S40Very low34.2Very low95 Ų95139 Ų13966%0.66477%0.768SS**  trans-99.8178161.8-62.70000109.1
243D33.5Very low33.6Very low157 Ų157143.6 Ų143.684%0.8477%0.77SS**  trans110.8141.8146.5-60.6-16000117.5
244A32.2Very low33.8Very low70 Ų70139.6 Ų139.658%0.57976%0.76SS**  cis-173.4166.7-20.700000110.4
245L33.4Very low33.9Very low157 Ų157137 Ų13782%0.82276%0.76SS**  trans69.2157.2150.2-70.2153.6000117.2
246I31.7Very low33.9Very low158 Ų158142.1 Ų142.181%0.8177%0.768SS**  cis-129.3149.318.3-61.2164.8000111.9
247E36.1Very low33.7Very low170 Ų170146.8 Ų146.879%0.79478%0.775SS**  trans-80.3-140.2172.4-87.8-101.412400109.8
248P52Low33.6Very low99 Ų99146.7 Ų146.764%0.64378%0.775SS**  cis-139.3-152.8-8.836.8-11.1000114.5
249E27.4Very low33.5Very low185 Ų185143.2 Ų143.286%0.86477%0.767SS**  trans82.7130165.6-52.3-161.8140.400118
250A30.7Very low33.1Very low84 Ų84144.6 Ų144.669%0.69477%0.765SS**  cis-157.9141.2-16.500000107.1
251E32.7Very low32.2Very low164 Ų164145.7 Ų145.777%0.76676%0.76SS**  55.1136.294.3-120.2-164.3148.600114.1
252V29Very low32.4Very low113 Ų113143.2 Ų143.269%0.68575%0.749SS**  cis-159.6155.343.6174.30000112.4
253R27.6Very low32Very low216 Ų216146.8 Ų146.882%0.81576%0.755SS**  trans-17.9161.8150.7-78.2165.1166.5103.1-3.1117.6
254S32.2Very low31.9Very low98 Ų98143.9 Ų143.969%0.68575%0.747SS**  cis-174.6152.445-166.80000114.4
255S31.9Very low31.8Very low107 Ų107148.3 Ų148.375%0.74876%0.755SS**  trans2.9141.4145.5-21.80000122.5
256Q30.9Very low31.9Very low200 Ų200147.4 Ų147.494%0.93575%0.75SS**  -165.4164120-163.5145.5-28.700113.1
257R29.9Very low31.7Very low230 Ų230146.6 Ų146.687%0.86875%0.753SS**  trans-94.2153.2-169.6-57.5167.9166.8-176.5-5.3115.2
258Q30.6Very low31.8Very low189 Ų189147.1 Ų147.188%0.88376%0.755SS**  -175.6115.6123.1-101.4167.9-17.800108.9
259K29.7Very low30.8Very low154 Ų154151.5 Ų151.567%0.6776%0.764SS**  54.911483.6-110-158.2178.9-139.90113.1E261K259-E261 WeakPolarHBondContact CE-OE1 3.21Å; K259-E261 IonicContact NZ-OE1 2.6Å; K259-E261 PolarHBondContact NZ-OE1 2.78Å
260H29.2Very low31Very low152 Ų152148.6 Ų148.670%0.70476%0.759SS**  -145.8139.568.2-89-92.1000110.7
261E29.8Very low31Very low132 Ų132149 Ų14962%0.61776%0.757SS**  61.4133.484-74.4164.5-165.100113.9K259K259-E261 WeakPolarHBondContact CE-OE1 3.21Å; K259-E261 IonicContact NZ-OE1 2.6Å; K259-E261 PolarHBondContact NZ-OE1 2.78Å
262A30.1Very low31.1Very low77 Ų77150.2 Ų150.264%0.63676%0.76SS**  cis-142.3138.910.900000110.8
263E30.8Very low31Very low171 Ų171155.8 Ų155.880%0.79977%0.768SS**  78.8110.2103.1-69.8-17615700113.8
264S32.5Very low31.1Very low95 Ų95150.8 Ų150.866%0.66477%0.766SS**  76.3149.466.981.20000112.5
265E30.5Very low31.2Very low163 Ų163155 Ų15576%0.76277%0.774SS**  cis-154141.1-9-128.1172150.100111
266I33.9Very low31Very low139 Ų139156.6 Ų156.671%0.71378%0.78SS**  trans5.8124130.2-41.2172.9000116.6
267T28.7Very low31.1Very low140 Ų140158.2 Ų158.286%0.85978%0.777SS**  179.9159112.729.20000115.3
268Q37.5Very low31.2Very low181 Ų181156.4 Ų156.485%0.84678%0.779SS**  trans-86.2148.9-179.5-53.1159.6-10.700111.7
269K31Very low31.7Very low192 Ų192154.1 Ų154.184%0.83577%0.772SS**  -176.9131.9126.8-107168.9-178.6174.10115.9
270T31Very low32.4Very low124 Ų124152.7 Ų152.776%0.76178%0.779SS**  trans22134.4137.6600000121.5
271S30.6Very low32.4Very low93 Ų93148.1 Ų148.165%0.6577%0.773SS**  166.4126.4119170.70000115.8
272K35.2Very low32.7Very low188 Ų188147.5 Ų147.582%0.81778%0.783SS**  trans64.6127.9149.1-66.4168.9-167170.90118.8
273R27.6Very low33Very low230 Ų230152.2 Ų152.287%0.86879%0.792SS**  69.712583.3-144.4-176.7-172.3-177.44.3110.4
274C30.1Very low33.1Very low112 Ų112151.5 Ų151.576%0.75779%0.793SS**  cis-146.2159.248.2-62.20000115.6
275E32.9Very low33.1Very low186 Ų186151 Ų15187%0.86979%0.794SS**  trans-79.5148.5153-57.7177.4137.200109.6
276T28.9Very low33.7Very low141 Ų141152.7 Ų152.787%0.86580%0.799SS**  trans-146124.3139.2-660000108.5
277R32.9Very low34.1Very low233 Ų233155.3 Ų155.388%0.87981%0.805SS**  trans-93.7130.8174.3159.7-153.3-173.1-161.33.8108.1
278E31.1Very low34.3Very low193 Ų193154.3 Ų154.390%0.90280%0.799SS**  trans-152.2141143.4-72.3-149.913700110.8
279D40.7Very low34.1Very low140 Ų140150.5 Ų150.575%0.74979%0.792SS**  trans-127.7139.7167.7163.143.3000105.1G281D279-G281 PolarHBondContact OD1-N 2.93Å
280P44.7Very low34.4Very low124 Ų124149.3 Ų149.381%0.80579%0.793SS**  -147.6115121.832.1-13.5000115.4
281G29Very low34.3Very low56 Ų56147.2 Ų147.258%0.57780%0.796SS**  58.6129.3112.500000122.2D279D279-G281 PolarHBondContact OD1-N 2.93Å
282S36.6Very low34.4Very low119 Ų119148.1 Ų148.183%0.83280%0.803SS**  trans-178.3106143.2-80.30000108.2
283Q36.4Very low34.1Very low176 Ų176145.8 Ų145.882%0.82281%0.809SS**  64.611680.4-69.4-153.325.400117.5
284L33Very low34.5Very low156 Ų156140.3 Ų140.382%0.81781%0.806SS**  trans78.7137.9138.7-86.5161.3000124
285A33.4Very low34.6Very low84 Ų84139.2 Ų139.269%0.69481%0.805SS**  trans96.995.614000000122.3
286K43.6Very low35.2Very low199 Ų199136.3 Ų136.387%0.86580%0.802SS**  19.4123.3124.7-57172.9179.1175.40119.3
287K40.7Very low35.3Very low194 Ų194134.2 Ų134.284%0.84380%0.799SS**  173.6148.1110.6-97.7177.4176.9179.50114.2
288T32.9Very low35.4Very low119 Ų119130.7 Ų130.773%0.7379%0.793SS**  trans-0.3154.1143.5250000120
289C33.6Very low35.6Very low102 Ų102129.7 Ų129.769%0.68979%0.791SS**  cis-165.6160.129.1-121.90000113.9
290L36.7Very low35.4Very low166 Ų166130 Ų13087%0.86979%0.788SS**  trans54.9136.7143.2-64.2167000123.2
291G30.6Very low34.7Very low80 Ų80129.1 Ų129.183%0.82579%0.785SS**  trans173.466.1168.900000113.8
292S32.8Very low34.8Very low113 Ų113132.3 Ų132.379%0.7979%0.794SS**  trans-89.3146.7178-52.80000112.2
293C28.4Very low34.5Very low139 Ų139131.5 Ų131.594%0.93979%0.788SS**  trans-167.4158137.3-111.10000112.4
294S35.4Very low34.5Very low114 Ų114132.5 Ų132.580%0.79779%0.793SS**  trans-119.9163.3-162.851.90000113.9
295A33.5Very low34.5Very low90 Ų90131.4 Ų131.474%0.74479%0.792SS**  trans-64164.8161.900000111
296P45Very low34.5Very low124 Ų124135.7 Ų135.781%0.80580%0.803SS**  -153.217977.640.9-21.9000115.9
297A31.1Very low34Very low97 Ų97132.1 Ų132.180%0.80279%0.793SS**  152.5138.2125.800000114.1
298Q34Very low33.7Very low160 Ų160130.6 Ų130.675%0.74879%0.789SS**  trans-95.3163.2166.6-67.6173.5-20.600110.7
299I35.7Very low33.6Very low171 Ų171132.4 Ų132.488%0.87779%0.794SS**  trans-133.2141158.4-60.6-178.9000108.8
300H36.5Very low34.2Very low147 Ų147135.5 Ų135.568%0.68180%0.803SS**  trans-118.3167.3177.6-87.9-102.1000111.1
301S29.6Very low34.6Very low106 Ų106133 Ų13374%0.74180%0.796SS**  trans76.8145.5165.7-630000116.5
302T30.9Very low35.4Very low123 Ų123135.3 Ų135.376%0.75580%0.797SS**  cis-162.2152.43.92.60000113
303S31.3Very low35.4Very low102 Ų102138.2 Ų138.271%0.71380%0.803SS**  trans77.3142.3141-58.20000124.3
304Q35.7Very low36Very low197 Ų197139.6 Ų139.692%0.92180%0.8SS**  trans103.9143.2151.7-52.1-154.20.500120.2
305T32.9Very low36.5Very low132 Ų132139.9 Ų139.981%0.8180%0.799SS**  trans-108142.4-162.5460000113.1
306L34.1Very low36.7Very low175 Ų175143.5 Ų143.592%0.91681%0.805SS**  trans-152153.6148-147.292000111
307N33Very low36.9Very low124 Ų124143.1 Ų143.166%0.66380%0.803SS**  trans-99.3165-168.5-64.1-60.4000114.8
308H33.4Very low37.6Very low161 Ų161144.7 Ų144.775%0.74581%0.805SS**  trans63.3124.8158.8-44.4-56000116.6
309N32Very low37.6Very low158 Ų158144.1 Ų144.185%0.84581%0.812SS**  -167.5146.663.7-84.6-81.5000111.1
310L45.6Very low37.7Very low166 Ų166139.7 Ų139.787%0.86981%0.808SS**PPolyproline II helixtrans-99.2145.8168-72.3168.2000110.2
311P44.6Very low37.7Very low113 Ų113137 Ų13773%0.73481%0.811SS**PPolyproline II helixtrans-75.4149173.531.4-33.9000111.9
312P48Very low37.9Very low129 Ų129141 Ų14184%0.83882%0.82SS**PPolyproline II helixtrans-81.5153.5-172.132.2-35.9000114.5
313L33.2Very low38.1Very low175 Ų175138.6 Ų138.692%0.91681%0.813SS**PPolyproline II helixtrans-80.6153.2174.3-70166.5000112.3
314L41Very low38.1Very low167 Ų167141.8 Ų141.887%0.87482%0.823SS**PPolyproline II helixtrans-76.2152.1-178.9-71.4162.5000113
315P44.8Very low38.2Very low120 Ų120137.9 Ų137.978%0.77982%0.817SS**PPolyproline II helixtrans-85.9149.6-171.3-7.927.3000114.8
316L39.1Very low38.5Very low166 Ų166141.3 Ų141.387%0.86982%0.821SS**PPolyproline II helixtrans-81.4149165.8-74.5118000112
317P48.9Very low38.3Very low117 Ų117137.7 Ų137.776%0.7682%0.816SS**PPolyproline II helixtrans-81.7160.2171.533.9-34.1000112.9
318P46.2Very low38.5Very low130 Ų130141.6 Ų141.684%0.84483%0.827SS**PPolyproline II helixtrans-91162.9-161.835.5-37.4000116
319V33.8Very low38.8Very low148 Ų148139.6 Ų139.690%0.89783%0.829SS**PPolyproline II helixtrans-76.4135.2174.3174.10000111.4
320G36.7Very low39Very low77 Ų77138.7 Ų138.779%0.79483%0.828SS**  trans-136.3133164.700000109.9
321A37.4Very low38.7Very low91 Ų91136.1 Ų136.175%0.75282%0.824SS**  trans-108.3137.3-175.300000111.7
322M33.4Very low38.3Very low189 Ų189139.3 Ų139.393%0.93183%0.83SS**  trans178.6154.9132.9-97-62.1-176.500111.5
323A35.3Very low37.5Very low74 Ų74139.2 Ų139.261%0.61283%0.831SS**  trans-40.3144.5-173.900000118.8
324N31Very low37.8Very low169 Ų169139.9 Ų139.990%0.90483%0.826SS**  -173.9156.9105.2-89.3-38.7000112.7
325S38.4Very low37.7Very low115 Ų115141.2 Ų141.280%0.80483%0.825SS**  trans-104.7165.9-174.7-172.20000112.9
326K37.9Very low37.2Very low204 Ų204141.5 Ų141.589%0.88782%0.824SS**  trans79105.1-178.8-58176.3175.8176.30117.2
327A31.5Very low37.1Very low98 Ų98138.6 Ų138.681%0.8181%0.813SS**  -177.4133.7114.300000110.4
328F35.6Very low36.5Very low206 Ų206140.3 Ų140.390%0.90482%0.815SS**  trans-83.1133.2168.8-69-89.4000109.9
329P41.2Very low36Very low120 Ų120142.7 Ų142.778%0.77982%0.816SS**  trans-81.6116.7158.631.2-28000109.2S331P329-S331 PolarHBondContact O-N 3.45Å
330V36.3Very low36.3Very low138 Ų138140.5 Ų140.584%0.83680%0.802SS**  trans-66.8113.5167.3172.10000108.2
331S37.9Very low36.5Very low113 Ų113145 Ų14579%0.7980%0.803SS**  trans-88.8109.2171.245.10000110.3P329 C333P329-S331 PolarHBondContact O-N 3.45Å; S331-C333 PolarHBondContact O-N 2.77Å
332E36.3Very low36.8Very low180 Ų180147.3 Ų147.384%0.84180%0.802SS**  trans-69.898.5-179.1-169.7176.7-143.700110.8K334E332-K334 PolarHBondContact O-N 2.85Å
333C32.1Very low37.1Very low127 Ų127145.9 Ų145.986%0.85880%0.797SS**  trans-79.5115.9-176.7-152.10000111S331 K335S331-C333 PolarHBondContact O-N 2.77Å; C333-K335 PolarHBondContact O-N 2.93Å; C333-K335 VanDerWaalsContact O-N 3.13Å
334K38.9Very low37.4Very low188 Ų188148.7 Ų148.782%0.81781%0.806SS**  trans-69109.6-178.9-70.4179.3179.8176.20110.9E332 T336E332-K334 PolarHBondContact O-N 2.85Å; K334-T336 PolarHBondContact O-N 2.86Å; K334-T336 VanDerWaalsContact O-N 3.09Å
335K37.9Very low37.8Very low196 Ų196146.9 Ų146.985%0.85280%0.804SS**  trans-56.8104.5175-177.5177.9-178.6176.60111.7C333C333-K335 PolarHBondContact O-N 2.93Å; C333-K335 VanDerWaalsContact O-N 3.13Å
336T34.6Very low37.4Very low126 Ų126145 Ų14577%0.77380%0.803SS**  trans-101.6117.9163.4440000109.6K334 L338K334-T336 PolarHBondContact O-N 2.86Å; K334-T336 VanDerWaalsContact O-N 3.09Å; T336-L338 PolarHBondContact O-N 3.22Å
337T37.9Very low37.3Very low104 Ų104146 Ų14664%0.63881%0.807SS**  trans-77.1105.8-178.3-49.10000110.2E339T337-E339 HydrophobicContact CG2-CG 4.13Å
338L36.3Very low37.5Very low153 Ų153150.5 Ų150.580%0.80181%0.812SS**  trans-109.9111.9161.1-78.1174.5000108.6T336 V340T336-L338 PolarHBondContact O-N 3.22Å; L338-V340 PolarHBondContact O-N 3.05Å; L338-V340 VanDerWaalsContact O-N 3.13Å
339E35.5Very low37.4Very low181 Ų181145.6 Ų145.685%0.84681%0.809SS**  trans-78.394.9177.4-64.6-172.8157.800110T337 E341T337-E339 HydrophobicContact CG2-CG 4.13Å; E339-E341 PolarHBondContact O-N 3.05Å
340V40.2Very low37Very low102 Ų102148.1 Ų148.162%0.61881%0.81SS**  trans-86.991.7167.6-177.20000108L338 L342L338-V340 PolarHBondContact O-N 3.05Å; L338-V340 VanDerWaalsContact O-N 3.13Å; V340-L342 HydrophobicContact CG1-CD2 3.93Å; V340-L342 HydrophobicContact CG1-CG 4.12Å; V340-L342 PolarHBondContact O-N 2.9Å
341E41.1Very low36.8Very low172 Ų172153.2 Ų153.280%0.80482%0.815SS**  trans-74.786.2178-165.6179.7-176.800110.8E339 L343E339-E341 PolarHBondContact O-N 3.05Å; E341-L343 PolarHBondContact O-N 3.09Å
342L44.1Very low36.4Very low139 Ų139155.1 Ų155.173%0.72882%0.815SS**  trans-70.5105.4174.1-65.5176.8000110.7V340 T344V340-L342 HydrophobicContact CG1-CD2 3.93Å; V340-L342 HydrophobicContact CG1-CG 4.12Å; V340-L342 PolarHBondContact O-N 2.9Å; L342-T344 PolarHBondContact O-N 3.2Å
343L38.5Very low36.1Very low158 Ų158154.3 Ų154.383%0.82782%0.816SS**  trans-68.894174.3-69.5175.4000111.3E341E341-L343 PolarHBondContact O-N 3.09Å
344T42.3Very low36Very low133 Ų133156 Ų15682%0.81682%0.815SS**  trans-79.8125.9172.515.40000111L342 G346L342-T344 PolarHBondContact O-N 3.2Å; T344-G346 PolarHBondContact O-N 3.13Å
345P39.1Very low35.5Very low132 Ų132151.8 Ų151.886%0.85782%0.815SS**  trans-88.1107.8176.432.3-30.2000111
346G31Very low35.5Very low76 Ų76148.2 Ų148.278%0.78482%0.815SS**  trans165.475.1173.900000115.7T344T344-G346 PolarHBondContact O-N 3.13Å
347K35.5Very low35.7Very low223 Ų223149.3 Ų149.397%0.9782%0.816SS**  trans-92.7102.7167-74.8-174.8177.8-179.70110.4
348Q36.2Very low35.7Very low194 Ų194152 Ų15291%0.90783%0.827SS**  trans-106.8136.2157.3-158.1172.920.400108.5
349A33.6Very low35.6Very low102 Ų102151.2 Ų151.284%0.84383%0.828SS**  trans-74.9131.9-166.200000112.9
350Q31.3Very low35.3Very low173 Ų173147.3 Ų147.381%0.80883%0.827SS**  trans-86.9120.1177.1-161.5174.429.900110.1
351R32Very low35.2Very low246 Ų246152 Ų15293%0.92884%0.839SS**  trans-119.6109.7158.1-96.4-172.2172.4178.7-2108.2
352L31Very low34.7Very low152 Ų152150.1 Ų150.180%0.79684%0.84SS**  trans-70.7130.7167.2-77.6160.1000109.3
353L28.8Very low34.1Very low164 Ų164150 Ų15086%0.85984%0.84SS**  trans-146.3153.2146.5-97.6-177.6000110.6
354L30.9Very low34.1Very low162 Ų162149.7 Ų149.785%0.84883%0.834SS**  trans-59.1158.6-162-80.951000116.2
355A28.2Very low33.8Very low99 Ų99151.4 Ų151.482%0.81884%0.838SS**  trans-73.2147.2170.900000113.3
356S37.4Very low33.6Very low121 Ų121156.6 Ų156.685%0.84684%0.841SS**  trans-169.2150.5133.544.30000110.5
357N38.4Very low34.5Very low149 Ų149158.6 Ų158.680%0.79784%0.84SS**  trans-84.1147.1178.8-61.1-57.2000110.7
358N38Very low34.4Very low162 Ų162152.5 Ų152.587%0.86683%0.831SS**  -178.8154.9118.8-91.4-39.1000114.6
359T33.7Very low34.2Very low135 Ų135148.1 Ų148.183%0.82883%0.828SS**  trans-48.6133.8-177.5-350000117.8
360A31Very low34.4Very low99 Ų99149 Ų14982%0.81883%0.828SS**  trans-166.8132.913900000112.2
361K37.9Very low35Very low202 Ų202148.7 Ų148.788%0.87883%0.831SS**  trans-100.8171.2163.9-92.6-176.7174.6178.30109.4
362T30.4Very low35.5Very low132 Ų132148.9 Ų148.981%0.8183%0.832SS**  trans93133.5171.1-510000113.2
363N31.8Very low35.7Very low136 Ų136145.1 Ų145.173%0.72783%0.829SS**  cis-150175.1-10.7-136.7-27.1000111.3
364Q36.9Very low36.1Very low152 Ų152145.6 Ų145.671%0.7183%0.832SS**  trans-15141160.4-61-75.6-4.100118.6
365N36.8Very low36.6Very low168 Ų168143.4 Ų143.490%0.89883%0.83SS**  -169.9152114.4-93-29.9000114.7
366R35.2Very low37.3Very low242 Ų242144.9 Ų144.991%0.91383%0.829SS**  trans-82.9172.7-174.4-115.3-168142.8156.9-6.8113.4
367P49.8Very low37.6Very low118 Ų118148.1 Ų148.177%0.76683%0.827SS**  trans-98.1167.4-162.539.7-38.8000116
368A32.2Very low37.8Very low95 Ų95147 Ų14779%0.78583%0.828SS**  trans-129.7116.8158.100000107.4
369A32.5Very low37.9Very low101 Ų101144 Ų14484%0.83583%0.826SS**  75111.884.100000114.2
370S37.3Very low38Very low121 Ų121143.2 Ų143.285%0.84683%0.826SS**  trans177.7132.9131.2-1720000111.5
371L44.8Very low38.5Very low167 Ų167144.4 Ų144.487%0.87483%0.828SS**  trans-97116.1176.8-72.8162.6000110.9
372R41.8Very low38.4Very low250 Ų250138.6 Ų138.694%0.94383%0.826SS**  trans-155138.5142.9-62.9-164.5-166.5-165.75.7107.4
373G36.6Very low38.7Very low72 Ų72138.3 Ų138.374%0.74283%0.829SS**  cis12055.78.900000112.1
374L37.2Very low38.9Very low174 Ų174136.7 Ų136.791%0.91183%0.828SS**  trans-135.8104.2170-75.3178.9000110.6
375S40.3Very low39.1Very low116 Ų116137.8 Ų137.881%0.81184%0.837SS**  trans-85.4130.6170.7175.10000109.4
376V44.3Very low38.9Very low131 Ų131133 Ų13379%0.79483%0.828SS**  trans-116.3120.6171.8-177.80000108.5
377K42.8Very low38.8Very low188 Ų188127.6 Ų127.682%0.81783%0.827SS**PPolyproline II helixtrans-78.7134.1179.7-62.8172.6178.31750110.6
378P43.8Very low38.6Very low126 Ų126134 Ų13482%0.81884%0.836SS**PPolyproline II helixtrans-77.7130.5156.630.9-29.7000109.7
379A38.4Very low38.9Very low99 Ų99135.3 Ų135.382%0.81884%0.84SS**PPolyproline II helixtrans-78.6137.2175.600000111.1
380S36.4Very low39.2Very low118 Ų118135.4 Ų135.483%0.82584%0.841SS**PPolyproline II helixtrans-81.9122.3171.447.60000110.9
381S40.9Very low38.9Very low124 Ų124140.5 Ų140.587%0.86785%0.848SS**  trans-94.699.6165.2-69.80000109.4
382G36.9Very low38.5Very low80 Ų80135.7 Ų135.783%0.82584%0.839SS**  trans-71.8141.7167.200000110.9
383S35.5Very low38.2Very low127 Ų127133.6 Ų133.689%0.88884%0.84SS**  trans-127.1105.4165.8-168.70000108.5
384S36.9Very low38.4Very low101 Ų101139.4 Ų139.471%0.70685%0.848SS**  trans-98.2174.8168.361.90000109.7
385I40.1Very low38.3Very low175 Ų175134.1 Ų134.190%0.89784%0.835SS**  trans95.7120.1-174.1-52.8155.2000111.8
386G33.5Very low38.2Very low68 Ų68134 Ų13470%0.70183%0.834SS**  cis-178.6132.8-6.800000111.6
387S33.4Very low37.9Very low129 Ų129136 Ų13690%0.90284%0.835SS**  trans-76.8135177.9-56.10000111.4
388R45.8Very low38Very low251 Ų251133.9 Ų133.995%0.94783%0.833SS**  trans-132.1114.1158.6-78.7-170175.2-117.90109.8
389S37.4Very low38.3Very low123 Ų123134 Ų13486%0.8683%0.831SS**  trans-84.1145.5163.845.30000109.8
390A38.6Very low38.7Very low104 Ų104134.9 Ų134.986%0.8683%0.828SS**  trans-148.8116.9157.800000108.3
391F31.6Very low39.6Very low227 Ų227141.1 Ų141.1100%0.99683%0.834SS**  trans-90.9140.2165-134.8-97.9000106.2
392G35.6Very low40.1Very low67 Ų67141.9 Ų141.969%0.69183%0.833SS**  trans157.190.9175.500000116.4
393E36.8Very low40.6Very low206 Ų206142.9 Ų142.996%0.96383%0.827SS**  trans66.6170.7137.7-106.1168.5132.500123.3
394E40.7Very low41.2Very low193 Ų193148 Ų14890%0.90283%0.827SS**  trans-116.4154.2-155.9177.4174.3-157.700109.2
395G33.9Very low41.7Very low63 Ų63151.5 Ų151.565%0.64984%0.837SS**  trans130.9115.3166.100000117.9
396S38.9Very low42.6Very low113 Ų113154.8 Ų154.879%0.7984%0.838SS**  trans50.8116.2131.563.90000122.3
397E38.4Very low44.1Very low175 Ų175163.4 Ų163.482%0.81885%0.85SS**  97.7144.1120.5-142.7165.3-166.500122.9
398N44.6Very low45.3Very low143 Ų143163.6 Ų163.677%0.76585%0.845SS**  trans-49.8123.9-171.7-58.5-70.2000117.7
399V50.3Low45.6Very low129 Ų129161.3 Ų161.378%0.78284%0.842SS**  trans-142.3128.4150-175.20000110.5R401V399-R401 PolarHBondContact O-N 3.38Å
400P47.1Very low46.7Very low117 Ų117166.9 Ų166.976%0.7684%0.844SS**PPolyproline II helixtrans-74.8119.8177.229.3-33.4000112T402P400-T402 PolarHBondContact O-N 3.05Å
401R53.9Low47.7Very low249 Ų249171 Ų17194%0.9487%0.867SS**PPolyproline II helixtrans-72.5126.8172.6-81.4-174168.797.2-1.2111.3V399V399-R401 PolarHBondContact O-N 3.38Å
402T53.2Low48.5Very low139 Ų139168.2 Ų168.285%0.85386%0.86SS**PPolyproline II helixtrans-73.8144.5-174.248.80000113.4P400P400-T402 PolarHBondContact O-N 3.05Å
403S46.4Very low49.1Very low101 Ų101173.5 Ų173.571%0.70687%0.869SS**PPolyproline II helixtrans-72.1146.3173.163.80000112.5
404R49Very low49.8Very low236 Ų236171.7 Ų171.789%0.89186%0.864SS**  165.3129.6122.4-93.9168.1177.8-157.5-0.2112.1
405L47.3Very low50.4Low174 Ų174170.4 Ų170.491%0.91186%0.862SS**  trans-170.892.7131.9-105.4159.7000109
406R58.3Low51.4Low244 Ų244177.1 Ų177.192%0.92188%0.875SS**PPolyproline II helixtrans-84.5117.3167.6-77.5-175.1174.7177.6-0.9108.1T408R406-T408 PolarHBondContact O-N 3.24Å
407R65.3Low52.2Low249 Ų249181.4 Ų181.494%0.9488%0.881SS**PPolyproline II helixtrans-69119.1172.7-173.8175.7-176.3169.11.1109.1
408T58Low53.2Low132 Ų132181.9 Ų181.981%0.8189%0.885SS**PPolyproline II helixtrans-70.7144.2172.741.70000110.6R406R406-T408 PolarHBondContact O-N 3.24Å
409K52.9Low53.9Low203 Ų203184.8 Ų184.888%0.88390%0.895SS**PPolyproline II helixtrans-88.9128.3175.2-168.6-179.6179.3-171.10107.4
410R59Low54.2Low240 Ų240189.5 Ų189.591%0.90690%0.904SS**PPolyproline II helixtrans-68.2138.3170.5-78.1-176.6173175.6-4.1109.3
411S59.5Low54.8Low190 Ų190196.1 Ų196.1100%1.32992%0.917SS**  trans-68.80163.952.60000110.5

Retrieved 411 of 411 residues in 48.3 ms (Link to these results)

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