A0A077ZMZ5_TRITR Loading...

Protein SPP-10, isoform b

AlphaFold DB , UniProt , Accession A0A077ZMZ5, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 155 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M29.2Very low39.7Very low205 Ų205116.9 Ų116.9100%1.0164%0.639SS**  0117.40-164.1146.6169.300107.6
2Q26.9Very low41.2Very low166 Ų166114.8 Ų114.878%0.77663%0.626SS**  trans-99127.5-176.2-62.5178.82500108.6
3V32Very low43.2Very low69 Ų69115.5 Ų115.542%0.41863%0.628SS.*  trans-114.5124.7179.9-173.90000108.3F5V3-F5 HydrophobicContact CG1-CE2 4.34Å; V3-F5 HydrophobicContact CG1-CZ 4.46Å
4H35.1Very low44.9Very low111 Ų111116.4 Ų116.451%0.51463%0.63SS.*  trans-111121.6-176.6-66.1-85.9000110.5
5F38.2Very low46Very low100 Ų100110.1 Ų110.144%0.43960%0.599SS.*  trans-95.4120.3170.2-61.2-90.6000108.2V3 L18 L31V3-F5 HydrophobicContact CG1-CE2 4.34Å; V3-F5 HydrophobicContact CG1-CZ 4.46Å; F5-L18 HydrophobicContact CZ-CD2 4.47Å; F5-L31 HydrophobicContact CD2-CD2 4Å
6C38.5Very low47.3Very low81 Ų81111.9 Ų111.955%0.54759%0.594SS.*  trans-102.1115.8163.2-20.20000110.3K132C6-K132 HydrophobicContact CB-CD 4.25Å; C6-K132 HydrophobicContact CB-CG 4.34Å; C6-K132 VanDerWaalsContact CB-NZ 3.27Å; C6-K132 WeakPolarHBondContact O-CE 3.3Å; C6-K132 PolarHBondContact O-NZ 3.43Å; C6-K132 WeakPolarHBondContact SG-CE 3.34Å
7G45.2Very low48.9Very low49 Ų49110.8 Ų110.851%0.50559%0.587SS.*  trans-169.8137.5169.800000108.6N9G7-N9 PolarHBondContact O-N 3.17Å
8P41.7Very low50.1Low125 Ų125109.2 Ų109.281%0.81258%0.579SS**SBendtrans-74.5-4.9172.431.3-34.2000112.4
9N46.9Very low50.9Low133 Ų133107.8 Ų107.871%0.71157%0.568SS**SBendtrans-91.4146.6-175.3-63.7-32000110.3G7G7-N9 PolarHBondContact O-N 3.17Å
10Q47.8Very low52Low169 Ų169107.8 Ų107.879%0.7957%0.567SS**  trans-46139.4167.4-80.7-177.9-14.200109.1D12Q10-D12 PolarHBondContact O-N 2.98Å; Q10-D12 VanDerWaalsContact O-N 3.13Å
11P55.2Low53Low78 Ų78106.7 Ų106.751%0.50657%0.565SS.*  trans-50.4127.7175.121.9-32.2000108R16P11-R16 HydrophobicContact CB-CG 3.83Å; P11-R16 HydrophobicContact CG-CG 3.64Å; P11-R16 VanDerWaalsContact O-CD 3.23Å; P11-R16 WeakPolarHBondContact O-CD 3.07Å; P11-R16 WeakPolarHBondContact O-CG 3.35Å
12D58.1Low54.8Low91 Ų9198.9 Ų98.949%0.48753%0.527SS..  trans-58.3165.3177.361.816.6000110.1Q10 I14 S15 R16Q10-D12 PolarHBondContact O-N 2.98Å; Q10-D12 VanDerWaalsContact O-N 3.13Å; D12-I14 PolarHBondContact O-N 3.13Å; D12-I14 VanDerWaalsContact O-N 3.08Å; D12-I14 PolarHBondContact OD1-N 2.84Å; D12-S15 PolarHBondContact O-N 3.39Å; D12-S15 VanDerWaalsContact O-N 3.08Å; D12-S15 WeakPolarHBondContact OD1-CA 3.46Å; D12-S15 WeakPolarHBondContact OD1-CB 3.49Å; D12-S15 PolarHBondContact OD1-N 3.18Å; D12-S15 PolarHBondContact OD1-OG 2.87Å; D12-R16 WeakPolarHBondContact O-CG 3.5Å; D12-R16 PolarHBondContact O-N 3.09Å
13L66.5Low56.8Low125 Ų12597.7 Ų97.765%0.65452%0.519SS*.Hα-helixtrans-53.1-35.9-177.6-17566.9000111.2R16 L17L13-R16 PolarHBondContact O-N 2.86Å; L13-L17 HydrophobicContact CG-CD1 4.06Å; L13-L17 WeakPolarHBondContact O-CB 3.36Å; L13-L17 WeakPolarHBondContact O-CG 3.44Å; L13-L17 PolarHBondContact O-N 3.2Å
14I67.9Low58.7Low127 Ų12799.9 Ų99.965%0.65153%0.533SS*.Hα-helixtrans-67.4-47.8179.3-61.6174.1000110.9D12 R16 L17 L18D12-I14 PolarHBondContact O-N 3.13Å; D12-I14 VanDerWaalsContact O-N 3.08Å; D12-I14 PolarHBondContact OD1-N 2.84Å; I14-R16 VanDerWaalsContact C-N 3.3Å; I14-R16 PolarHBondContact O-N 3.06Å; I14-L17 CarbonylContact O-C 3.6Å; I14-L17 PolarHBondContact O-N 3.37Å; I14-L18 VanDerWaalsContact O-CB 3.3Å; I14-L18 WeakPolarHBondContact O-CB 3.32Å; I14-L18 PolarHBondContact O-N 3.36Å
15S61.2Low60.6Low23 Ų2399.3 Ų99.316%0.16154%0.537CS..Hα-helixtrans-64.6-35.8177.6-61.10000111.5D12 F19D12-S15 PolarHBondContact O-N 3.39Å; D12-S15 VanDerWaalsContact O-N 3.08Å; D12-S15 WeakPolarHBondContact OD1-CA 3.46Å; D12-S15 WeakPolarHBondContact OD1-CB 3.49Å; D12-S15 PolarHBondContact OD1-N 3.18Å; D12-S15 PolarHBondContact OD1-OG 2.87Å; S15-F19 VanDerWaalsContact O-CB 3.31Å; S15-F19 WeakPolarHBondContact O-CB 3.37Å; S15-F19 PolarHBondContact O-N 3.19Å
16R66Low61.6Low139 Ų139101.3 Ų101.353%0.52555%0.552SS.*Hα-helixtrans-67.4-44172.9-69.3174.466.9-173.5-0.2111.6P11 D12 L13 I14 F19 L20P11-R16 HydrophobicContact CB-CG 3.83Å; P11-R16 HydrophobicContact CG-CG 3.64Å; P11-R16 VanDerWaalsContact O-CD 3.23Å; P11-R16 WeakPolarHBondContact O-CD 3.07Å; P11-R16 WeakPolarHBondContact O-CG 3.35Å; D12-R16 WeakPolarHBondContact O-CG 3.5Å; D12-R16 PolarHBondContact O-N 3.09Å; L13-R16 PolarHBondContact O-N 2.86Å; I14-R16 VanDerWaalsContact C-N 3.3Å; I14-R16 PolarHBondContact O-N 3.06Å; R16-F19 PolarHBondContact O-N 2.89Å; R16-L20 VanDerWaalsContact O-CG 3.28Å; R16-L20 WeakPolarHBondContact O-CG 3.32Å; R16-L20 PolarHBondContact O-N 3.09Å
17L75.1Confident62.3Low92 Ų92101.8 Ų101.848%0.48255%0.545SS..Hα-helixtrans-63.5-43.4174.8-75.8168.1000111.1L13 I14 F19 L20 V21L13-L17 HydrophobicContact CG-CD1 4.06Å; L13-L17 WeakPolarHBondContact O-CB 3.36Å; L13-L17 WeakPolarHBondContact O-CG 3.44Å; L13-L17 PolarHBondContact O-N 3.2Å; I14-L17 CarbonylContact O-C 3.6Å; I14-L17 PolarHBondContact O-N 3.37Å; L17-F19 VanDerWaalsContact C-N 3.34Å; L17-F19 PolarHBondContact O-N 3.37Å; L17-L20 WeakPolarHBondContact O-CB 3.01Å; L17-L20 PolarHBondContact O-N 3.29Å; L17-V21 VanDerWaalsContact O-CG2 3.3Å; L17-V21 WeakPolarHBondContact O-CG2 3.22Å; L17-V21 PolarHBondContact O-N 3.39Å
18L70.7Confident62.4Low82 Ų82106.5 Ų106.543%0.42955%0.554SS.*Hα-helixtrans-60.9-44.6175.7-173.568.2000110.8F5 I14 L20 V21 L22F5-L18 HydrophobicContact CZ-CD2 4.47Å; I14-L18 VanDerWaalsContact O-CB 3.3Å; I14-L18 WeakPolarHBondContact O-CB 3.32Å; I14-L18 PolarHBondContact O-N 3.36Å; L18-L20 VanDerWaalsContact C-N 3.33Å; L18-L20 PolarHBondContact O-N 3.38Å; L18-V21 PolarHBondContact O-N 3Å; L18-L22 HydrophobicContact CD1-CD1 4.39Å; L18-L22 HydrophobicContact CG-CD1 3.93Å; L18-L22 HydrophobicContact CG-CG 4.45Å; L18-L22 WeakPolarHBondContact O-CB 3.09Å; L18-L22 WeakPolarHBondContact O-CG 3.33Å; L18-L22 PolarHBondContact O-N 2.8Å
19F65.4Low62.8Low84 Ų84101.4 Ų101.437%0.36852%0.52SS..Hα-helixtrans-63.4-38.3175.8-159.1-89.2000112.1S15 R16 L17 L22 K23 I29S15-F19 VanDerWaalsContact O-CB 3.31Å; S15-F19 WeakPolarHBondContact O-CB 3.37Å; S15-F19 PolarHBondContact O-N 3.19Å; R16-F19 PolarHBondContact O-N 2.89Å; L17-F19 VanDerWaalsContact C-N 3.34Å; L17-F19 PolarHBondContact O-N 3.37Å; F19-L22 PolarHBondContact O-N 3.16Å; F19-K23 VanDerWaalsContact O-CB 3.29Å; F19-K23 WeakPolarHBondContact O-CB 3.45Å; F19-K23 PolarHBondContact O-N 2.81Å; F19-I29 HydrophobicContact CD2-CB 4.44Å; F19-I29 HydrophobicContact CE2-CB 3.86Å; F19-I29 HydrophobicContact CE2-CG2 4.21Å
20L72.2Confident62.7Low107 Ų107103 Ų10356%0.5652%0.52SS*.Hα-helixtrans-63.4-45.4173.5-73.5168.7000111.6R16 L17 L18 K23 T24R16-L20 VanDerWaalsContact O-CG 3.28Å; R16-L20 WeakPolarHBondContact O-CG 3.32Å; R16-L20 PolarHBondContact O-N 3.09Å; L17-L20 WeakPolarHBondContact O-CB 3.01Å; L17-L20 PolarHBondContact O-N 3.29Å; L18-L20 VanDerWaalsContact C-N 3.33Å; L18-L20 PolarHBondContact O-N 3.38Å; L20-K23 PolarHBondContact O-N 2.98Å; L20-T24 WeakPolarHBondContact O-CG2 3.36Å; L20-T24 PolarHBondContact O-N 3.42Å
21V74Confident62.5Low85 Ų85100.5 Ų100.552%0.51551%0.512SS..Hα-helixtrans-63.2-43.8176.8172.60000110.8L17 L18 K23 T24 V25L17-V21 VanDerWaalsContact O-CG2 3.3Å; L17-V21 WeakPolarHBondContact O-CG2 3.22Å; L17-V21 PolarHBondContact O-N 3.39Å; L18-V21 PolarHBondContact O-N 3Å; V21-K23 VanDerWaalsContact C-N 3.33Å; V21-K23 PolarHBondContact O-N 2.93Å; V21-T24 WeakPolarHBondContact CA-OG1 3.41Å; V21-T24 PolarHBondContact O-N 2.91Å; V21-T24 VanDerWaalsContact O-N 3.11Å; V21-T24 PolarHBondContact O-OG1 2.03Å; V21-V25 PolarHBondContact O-N 3.36Å
22L66.1Low61.9Low40 Ų40100.8 Ų100.821%0.20951%0.512CS..Hα-helixtrans-65.8-36.4178.4-69.7173000112.6L18 F19 T24 V25 N26 F27 I29L18-L22 HydrophobicContact CD1-CD1 4.39Å; L18-L22 HydrophobicContact CG-CD1 3.93Å; L18-L22 HydrophobicContact CG-CG 4.45Å; L18-L22 WeakPolarHBondContact O-CB 3.09Å; L18-L22 WeakPolarHBondContact O-CG 3.33Å; L18-L22 PolarHBondContact O-N 2.8Å; F19-L22 PolarHBondContact O-N 3.16Å; L22-T24 VanDerWaalsContact C-N 3.31Å; L22-T24 PolarHBondContact O-N 3.39Å; L22-V25 HydrophobicContact CD2-CG2 4.25Å; L22-V25 CarbonylContact O-C 3.57Å; L22-V25 WeakPolarHBondContact O-CG2 2.85Å; L22-V25 PolarHBondContact O-N 2.78Å; L22-N26 PolarHBondContact O-N 3.26Å; L22-F27 HydrophobicContact CB-CB 4.45Å; L22-F27 HydrophobicContact CD2-CB 4.46Å; L22-F27 HydrophobicContact CD2-CD1 4.3Å; L22-F27 PolarHBondContact O-N 3.5Å; L22-I29 HydrophobicContact CD1-CD1 3.35Å; L22-I29 HydrophobicContact CD1-CG1 4.27Å
23K68.3Low61.2Low141 Ų141105.6 Ų105.661%0.61353%0.531SS*.Hα-helixtrans-64.9-35.3172.4-167.8175.8-178.2179.30112F19 L20 V21 V25 N26F19-K23 VanDerWaalsContact O-CB 3.29Å; F19-K23 WeakPolarHBondContact O-CB 3.45Å; F19-K23 PolarHBondContact O-N 2.81Å; L20-K23 PolarHBondContact O-N 2.98Å; V21-K23 VanDerWaalsContact C-N 3.33Å; V21-K23 PolarHBondContact O-N 2.93Å; K23-V25 VanDerWaalsContact C-N 3.27Å; K23-V25 PolarHBondContact O-N 2.98Å; K23-N26 PolarHBondContact O-N 3.23Å
24T72.7Confident60Low116 Ų116107.2 Ų107.271%0.71253%0.533SS*.Hα-helixtrans-68.7-24174.755.30000113.7L20 V21 L22 N26L20-T24 WeakPolarHBondContact O-CG2 3.36Å; L20-T24 PolarHBondContact O-N 3.42Å; V21-T24 WeakPolarHBondContact CA-OG1 3.41Å; V21-T24 PolarHBondContact O-N 2.91Å; V21-T24 VanDerWaalsContact O-N 3.11Å; V21-T24 PolarHBondContact O-OG1 2.03Å; L22-T24 VanDerWaalsContact C-N 3.31Å; L22-T24 PolarHBondContact O-N 3.39Å; T24-N26 VanDerWaalsContact C-N 3.35Å
25V73.9Confident58.6Low98 Ų98110.4 Ų110.459%0.59454%0.542SS*.THydrogen-bonded Turntrans-95.819.9174.1-61.20000113.3V21 L22 K23 F27V21-V25 PolarHBondContact O-N 3.36Å; L22-V25 HydrophobicContact CD2-CG2 4.25Å; L22-V25 CarbonylContact O-C 3.57Å; L22-V25 WeakPolarHBondContact O-CG2 2.85Å; L22-V25 PolarHBondContact O-N 2.78Å; K23-V25 VanDerWaalsContact C-N 3.27Å; K23-V25 PolarHBondContact O-N 2.98Å; V25-F27 HydrophobicContact CG2-CB 4.07Å; V25-F27 PolarHBondContact O-N 3.4Å; V25-F27 VanDerWaalsContact O-N 3.14Å
26N60.5Low57.7Low143 Ų143114.1 Ų114.177%0.76556%0.564SS**THydrogen-bonded Turntrans53.930179.6-155.838.7000113.8L22 K23 T24L22-N26 PolarHBondContact O-N 3.26Å; K23-N26 PolarHBondContact O-N 3.23Å; T24-N26 VanDerWaalsContact C-N 3.35Å
27F53Low56.5Low90 Ų90112.1 Ų112.140%0.39556%0.559SS.*  trans-9799.3178-163.6-96.3000109.5L22 V25 I29L22-F27 HydrophobicContact CB-CB 4.45Å; L22-F27 HydrophobicContact CD2-CB 4.46Å; L22-F27 HydrophobicContact CD2-CD1 4.3Å; L22-F27 PolarHBondContact O-N 3.5Å; V25-F27 HydrophobicContact CG2-CB 4.07Å; V25-F27 PolarHBondContact O-N 3.4Å; V25-F27 VanDerWaalsContact O-N 3.14Å; F27-I29 HydrophobicContact CD1-CD1 4.3Å; F27-I29 HydrophobicContact CD1-CG1 3.7Å; F27-I29 HydrophobicContact CE1-CD1 4.29Å; F27-I29 HydrophobicContact CE1-CG1 3.81Å; F27-I29 PolarHBondContact O-N 3.45Å; F27-I29 VanDerWaalsContact O-N 3.16Å
28E46.5Very low55Low149 Ų149111 Ų11170%0.69656%0.559SS**  trans-73.5100.6178-75.5-79.6143.400110.7K30E28-K30 PolarHBondContact O-N 2.97Å
29I50.8Low53.8Low17 Ų17109.8 Ų109.89%0.08755%0.554CS.*  trans-84.2107.9166.4-64.2-168.8000108.9F19 L22 F27 L31F19-I29 HydrophobicContact CD2-CB 4.44Å; F19-I29 HydrophobicContact CE2-CB 3.86Å; F19-I29 HydrophobicContact CE2-CG2 4.21Å; L22-I29 HydrophobicContact CD1-CD1 3.35Å; L22-I29 HydrophobicContact CD1-CG1 4.27Å; F27-I29 HydrophobicContact CD1-CD1 4.3Å; F27-I29 HydrophobicContact CD1-CG1 3.7Å; F27-I29 HydrophobicContact CE1-CD1 4.29Å; F27-I29 HydrophobicContact CE1-CG1 3.81Å; F27-I29 PolarHBondContact O-N 3.45Å; F27-I29 VanDerWaalsContact O-N 3.16Å; I29-L31 HydrophobicContact CG2-CD2 4.43Å; I29-L31 PolarHBondContact O-N 2.57Å
30K43.8Very low52.8Low167 Ų167110.6 Ų110.673%0.72656%0.563SS**  trans-77.2110.7167.1-70.6-170.7178.4-175.50109.7E28 V32E28-K30 PolarHBondContact O-N 2.97Å; K30-V32 VanDerWaalsContact C-N 3.32Å; K30-V32 HydrophobicContact CB-CG2 4.4Å; K30-V32 PolarHBondContact O-N 3.05Å
31L43.8Very low52.1Low116 Ų116107.4 Ų107.461%0.60755%0.548SS*.  trans-69.891.4165.2-65.4177.7000108.7F5 I29 Q33F5-L31 HydrophobicContact CD2-CD2 4Å; I29-L31 HydrophobicContact CG2-CD2 4.43Å; I29-L31 PolarHBondContact O-N 2.57Å; L31-Q33 PolarHBondContact O-N 2.64Å
32V44.2Very low51.1Low85 Ų85105.4 Ų105.452%0.51553%0.534SS..  trans-81.9104.2168.9-178.10000107.4K30 K34K30-V32 VanDerWaalsContact C-N 3.32Å; K30-V32 HydrophobicContact CB-CG2 4.4Å; K30-V32 PolarHBondContact O-N 3.05Å; V32-K34 HydrophobicContact CG1-CB 4.37Å; V32-K34 PolarHBondContact O-N 3.26Å
33Q42.2Very low50.6Low191 Ų191104.3 Ų104.389%0.89353%0.529SS*.  trans-72.685.9165-66-139.8-17.700108.5L31L31-Q33 PolarHBondContact O-N 2.64Å
34K41.7Very low50.3Low159 Ų159104.1 Ų104.169%0.69153%0.53SS*.PPolyproline II helixtrans-80.1124.4172.2-161.4171.6-177.4178.60107.8V32 V36V32-K34 HydrophobicContact CG1-CB 4.37Å; V32-K34 PolarHBondContact O-N 3.26Å; K34-V36 PolarHBondContact O-N 2.75Å
35K38.8Very low49.9Very low195 Ų195102.8 Ų102.885%0.84852%0.516SS*.PPolyproline II helixtrans-52.1121.8171.4-153174.3-174.9-177.40107.6K37K35-K37 PolarHBondContact O-N 3.08Å
36V43Very low49.3Very low101 Ų101100 Ų10061%0.61250%0.501SS*.PPolyproline II helixtrans-56.3124178.3-1770000106.7K34 I42K34-V36 PolarHBondContact O-N 2.75Å; V36-I42 HydrophobicContact CG1-CD1 3.64Å
37K40.8Very low49.9Very low97 Ų9797 Ų9742%0.42249%0.487SS..PPolyproline II helixtrans-60.8155.9172-62.7-171-175.2172.80108K35 V39 V41 E45K35-K37 PolarHBondContact O-N 3.08Å; K37-V39 PolarHBondContact O-N 2.91Å; K37-V41 HydrophobicContact CB-CB 3.96Å; K37-V41 HydrophobicContact CB-CG1 4.14Å; K37-V41 HydrophobicContact CD-CB 4.2Å; K37-V41 HydrophobicContact CD-CG1 3.44Å; K37-V41 VanDerWaalsContact CD-CG1 3.44Å; K37-V41 HydrophobicContact CG-CG1 4.47Å; K37-E45 IonicContact NZ-OE1 2.66Å; K37-E45 PolarHBondContact NZ-OE1 2.64Å
38S41.8Very low51Low68 Ų6898.6 Ų98.648%0.47649%0.494SS..PPolyproline II helixtrans-52.4146.4177.846.30000110.5D40 V41 I42S38-D40 PolarHBondContact O-N 3.02Å; S38-D40 VanDerWaalsContact O-N 3.08Å; S38-V41 PolarHBondContact O-N 2.99Å; S38-V41 WeakPolarHBondContact OG-CG2 3.34Å; S38-I42 PolarHBondContact O-N 3.03Å
39V45.8Very low52.4Low56 Ų5695.3 Ų95.334%0.33948%0.48SS..Hα-helixtrans-25.4-55.1165.2156.80000112.9K37 V41 I42 C43 P125 E127K37-V39 PolarHBondContact O-N 2.91Å; V39-V41 PolarHBondContact O-N 3.39Å; V39-I42 PolarHBondContact O-N 3.22Å; V39-C43 PolarHBondContact O-N 2.96Å; V39-C43 VanDerWaalsContact O-N 3.1Å; V39-P125 HydrophobicContact CG2-CG 4.23Å; V39-E127 WeakPolarHBondContact CA-OE2 3.4Å; V39-E127 WeakPolarHBondContact CB-OE2 2.93Å; V39-E127 WeakPolarHBondContact CG1-OE1 3.32Å; V39-E127 WeakPolarHBondContact CG1-OE2 3.45Å; V39-E127 WeakPolarHBondContact CG2-OE1 3.36Å; V39-E127 WeakPolarHBondContact CG2-OE2 3.23Å
40D45.9Very low53.8Low101 Ų10195.6 Ų95.654%0.5448%0.482SS..Hα-helixtrans-59.9-42-177-49.8-44.8000112.7S38 I42 C43 E44S38-D40 PolarHBondContact O-N 3.02Å; S38-D40 VanDerWaalsContact O-N 3.08Å; D40-I42 VanDerWaalsContact C-N 3.34Å; D40-I42 PolarHBondContact O-N 3.39Å; D40-C43 PolarHBondContact O-N 3.19Å; D40-E44 WeakPolarHBondContact O-CG 3.45Å; D40-E44 PolarHBondContact O-N 3.48Å
41V56.2Low55.6Low40 Ų4089.9 Ų89.924%0.24246%0.46CS..Hα-helixtrans-70.4-32.9-178-176.50000111.7K37 S38 V39 C43 E45K37-V41 HydrophobicContact CB-CB 3.96Å; K37-V41 HydrophobicContact CB-CG1 4.14Å; K37-V41 HydrophobicContact CD-CB 4.2Å; K37-V41 HydrophobicContact CD-CG1 3.44Å; K37-V41 VanDerWaalsContact CD-CG1 3.44Å; K37-V41 HydrophobicContact CG-CG1 4.47Å; S38-V41 PolarHBondContact O-N 2.99Å; S38-V41 WeakPolarHBondContact OG-CG2 3.34Å; V39-V41 PolarHBondContact O-N 3.39Å; V41-C43 VanDerWaalsContact C-N 3.35Å; V41-E45 WeakPolarHBondContact O-CB 3.28Å; V41-E45 WeakPolarHBondContact O-CG 3.44Å; V41-E45 PolarHBondContact O-N 3.3Å
42I53Low57.6Low44 Ų4488.7 Ų88.723%0.22645%0.451CS..Hα-helixtrans-70.5-37.9176.5-63174.4000110.2V36 S38 V39 D40 C46V36-I42 HydrophobicContact CG1-CD1 3.64Å; S38-I42 PolarHBondContact O-N 3.03Å; V39-I42 PolarHBondContact O-N 3.22Å; D40-I42 VanDerWaalsContact C-N 3.34Å; D40-I42 PolarHBondContact O-N 3.39Å; I42-C46 WeakPolarHBondContact O-CB 3.38Å; I42-C46 PolarHBondContact O-N 3.25Å
43C56.3Low59.6Low17 Ų1789.4 Ų89.412%0.11545%0.45CS..Hα-helixtrans-66.4-45.8175.9-174.50000112V39 D40 V41 E45 C46 V47 C113V39-C43 PolarHBondContact O-N 2.96Å; V39-C43 VanDerWaalsContact O-N 3.1Å; D40-C43 PolarHBondContact O-N 3.19Å; V41-C43 VanDerWaalsContact C-N 3.35Å; C43-E45 VanDerWaalsContact C-N 3.34Å; C43-E45 PolarHBondContact O-N 3.43Å; C43-C46 PolarHBondContact O-N 3.03Å; C43-C46 VanDerWaalsContact O-N 3.14Å; C43-V47 WeakPolarHBondContact O-CG2 3.5Å; C43-V47 PolarHBondContact O-N 3.23Å; C43-C113 HydrophobicContact CB-CB 3.98Å; C43-C113 WeakPolarHBondContact CB-SG 3.38Å; C43-C113 WeakPolarHBondContact SG-CB 3.04Å; C43-C113 CovalentContact SG-SG 2.01Å; C43-C113 PolarHBondContact SG-SG 3.38Å
44E62.6Low61.8Low136 Ų13681.1 Ų81.164%0.63641%0.412SS*.Hα-helixtrans-57.6-44.6174.4-74.1175.2-176.500112D40 C46 V47 F48D40-E44 WeakPolarHBondContact O-CG 3.45Å; D40-E44 PolarHBondContact O-N 3.48Å; E44-C46 VanDerWaalsContact C-N 3.33Å; E44-C46 PolarHBondContact O-N 3.49Å; E44-V47 PolarHBondContact O-N 2.86Å; E44-F48 VanDerWaalsContact O-CB 3.31Å; E44-F48 WeakPolarHBondContact O-CB 3.27Å; E44-F48 PolarHBondContact O-N 3.29Å
45E62.5Low64.1Low89 Ų8977.7 Ų77.742%0.41641%0.405SS..Hα-helixtrans-63.9-37.3176.4-75.3177.2-17600111.9K37 V41 C43 M49K37-E45 IonicContact NZ-OE1 2.66Å; K37-E45 PolarHBondContact NZ-OE1 2.64Å; V41-E45 WeakPolarHBondContact O-CB 3.28Å; V41-E45 WeakPolarHBondContact O-CG 3.44Å; V41-E45 PolarHBondContact O-N 3.3Å; C43-E45 VanDerWaalsContact C-N 3.34Å; C43-E45 PolarHBondContact O-N 3.43Å; E45-M49 WeakPolarHBondContact O-CG 3.23Å; E45-M49 PolarHBondContact O-N 3.02Å
46C62.9Low66.5Low40 Ų4072.1 Ų72.127%0.2738%0.383SS..Hα-helixtrans-69.2-44.7177.4-173.10000112.4I42 C43 E44 F48 M49 V50I42-C46 WeakPolarHBondContact O-CB 3.38Å; I42-C46 PolarHBondContact O-N 3.25Å; C43-C46 PolarHBondContact O-N 3.03Å; C43-C46 VanDerWaalsContact O-N 3.14Å; E44-C46 VanDerWaalsContact C-N 3.33Å; E44-C46 PolarHBondContact O-N 3.49Å; C46-F48 VanDerWaalsContact C-N 3.31Å; C46-M49 PolarHBondContact O-N 2.75Å; C46-V50 WeakPolarHBondContact O-CG2 3.45Å; C46-V50 PolarHBondContact O-N 3.12Å
47V72.3Confident68.8Low78 Ų7868.4 Ų68.447%0.47336%0.36SS..Hα-helixtrans-61.1-45.4176.2172.50000109.6C43 E44 M49 V50 D51C43-V47 WeakPolarHBondContact O-CG2 3.5Å; C43-V47 PolarHBondContact O-N 3.23Å; E44-V47 PolarHBondContact O-N 2.86Å; V47-M49 PolarHBondContact O-N 3.21Å; V47-V50 PolarHBondContact O-N 2.94Å; V47-D51 WeakPolarHBondContact O-CB 3.3Å; V47-D51 PolarHBondContact O-N 3.45Å
48F75.6Confident71.3Confident124 Ų12466.6 Ų66.654%0.54436%0.36SS..Hα-helixtrans-56.7-48.1174.3177.9-100.2000111.9E44 C46 V50 D51 E52E44-F48 VanDerWaalsContact O-CB 3.31Å; E44-F48 WeakPolarHBondContact O-CB 3.27Å; E44-F48 PolarHBondContact O-N 3.29Å; C46-F48 VanDerWaalsContact C-N 3.31Å; F48-V50 PolarHBondContact O-N 2.9Å; F48-D51 PolarHBondContact O-N 2.97Å; F48-E52 HydrophobicContact CD1-CG 4.18Å; F48-E52 HydrophobicContact CD2-CG 4.32Å; F48-E52 HydrophobicContact CE1-CG 3.73Å; F48-E52 HydrophobicContact CE2-CG 3.88Å; F48-E52 HydrophobicContact CG-CG 4.45Å; F48-E52 HydrophobicContact CZ-CG 3.57Å; F48-E52 WeakPolarHBondContact O-CB 3.26Å; F48-E52 VanDerWaalsContact O-CG 3.27Å; F48-E52 WeakPolarHBondContact O-CG 3.39Å; F48-E52 PolarHBondContact O-N 2.84Å
49M76.8Confident73.8Confident80 Ų8066.6 Ų66.639%0.39435%0.354SS..Hα-helixtrans-63.1-41.4178.4-76.4-173.4-6500113.1E45 C46 V47 E52 M53E45-M49 WeakPolarHBondContact O-CG 3.23Å; E45-M49 PolarHBondContact O-N 3.02Å; C46-M49 PolarHBondContact O-N 2.75Å; V47-M49 PolarHBondContact O-N 3.21Å; M49-E52 PolarHBondContact O-N 3.32Å; M49-M53 WeakPolarHBondContact O-CB 3.37Å; M49-M53 VanDerWaalsContact O-CG 3.27Å; M49-M53 WeakPolarHBondContact O-CG 3.46Å; M49-M53 PolarHBondContact O-N 3.37Å
50V78.9Confident76.1Confident23 Ų2368.5 Ų68.514%0.13937%0.368CS..Hα-helixtrans-63.3-45.4176.8169.60000110C46 V47 F48 E52 M53 T54 L103 R106C46-V50 WeakPolarHBondContact O-CG2 3.45Å; C46-V50 PolarHBondContact O-N 3.12Å; V47-V50 PolarHBondContact O-N 2.94Å; F48-V50 PolarHBondContact O-N 2.9Å; V50-E52 PolarHBondContact O-N 3.28Å; V50-M53 PolarHBondContact O-N 3.09Å; V50-T54 WeakPolarHBondContact O-CB 3.45Å; V50-T54 PolarHBondContact O-N 3.45Å; V50-T54 PolarHBondContact O-OG1 3.22Å; V50-L103 HydrophobicContact CG1-CB 4.31Å; V50-L103 HydrophobicContact CG1-CD2 4.2Å; V50-R106 HydrophobicContact CG1-CB 4.5Å
51D81.4Confident78.4Confident48 Ų4867.7 Ų67.726%0.25737%0.366SS..Hα-helixtrans-62.4-42.6177.5-83.6-28.6000112.6V47 F48 T54 T55 K107V47-D51 WeakPolarHBondContact O-CB 3.3Å; V47-D51 PolarHBondContact O-N 3.45Å; F48-D51 PolarHBondContact O-N 2.97Å; D51-T54 PolarHBondContact O-N 3.38Å; D51-T55 WeakPolarHBondContact O-CB 3.46Å; D51-T55 PolarHBondContact O-N 2.89Å; D51-T55 PolarHBondContact O-OG1 2.78Å; D51-K107 WeakPolarHBondContact OD1-CD 3.28Å; D51-K107 VanDerWaalsContact OD1-CE 3.29Å; D51-K107 WeakPolarHBondContact OD1-CE 2.88Å; D51-K107 IonicContact OD1-NZ 2.8Å; D51-K107 PolarHBondContact OD1-NZ 2.72Å
52E86.9Confident80.1Confident90 Ų9070.3 Ų70.342%0.42137%0.373SS..Hα-helixtrans-63.7-43.1175.3-71.5-66.8130.800111.1F48 M49 V50 T55 I56F48-E52 HydrophobicContact CD1-CG 4.18Å; F48-E52 HydrophobicContact CD2-CG 4.32Å; F48-E52 HydrophobicContact CE1-CG 3.73Å; F48-E52 HydrophobicContact CE2-CG 3.88Å; F48-E52 HydrophobicContact CG-CG 4.45Å; F48-E52 HydrophobicContact CZ-CG 3.57Å; F48-E52 WeakPolarHBondContact O-CB 3.26Å; F48-E52 VanDerWaalsContact O-CG 3.27Å; F48-E52 WeakPolarHBondContact O-CG 3.39Å; F48-E52 PolarHBondContact O-N 2.84Å; M49-E52 PolarHBondContact O-N 3.32Å; V50-E52 PolarHBondContact O-N 3.28Å; E52-T55 PolarHBondContact O-N 3.33Å; E52-I56 VanDerWaalsContact O-CG1 3.28Å; E52-I56 WeakPolarHBondContact O-CG1 3.07Å; E52-I56 PolarHBondContact O-N 3.48Å
53M86.1Confident82Confident101 Ų10170.3 Ų70.350%0.49837%0.372SS..Hα-helixtrans-62.5-48.4175.8-76-178.2-177.900111.5M49 V50 T55 I56 L57 L103M49-M53 WeakPolarHBondContact O-CB 3.37Å; M49-M53 VanDerWaalsContact O-CG 3.27Å; M49-M53 WeakPolarHBondContact O-CG 3.46Å; M49-M53 PolarHBondContact O-N 3.37Å; V50-M53 PolarHBondContact O-N 3.09Å; M53-T55 VanDerWaalsContact C-N 3.26Å; M53-T55 PolarHBondContact O-N 3.36Å; M53-I56 PolarHBondContact O-N 2.89Å; M53-L57 HydrophobicContact CB-CD1 4.32Å; M53-L57 VanDerWaalsContact O-CB 3.26Å; M53-L57 WeakPolarHBondContact O-CB 3.19Å; M53-L57 WeakPolarHBondContact O-CD1 3.37Å; M53-L57 WeakPolarHBondContact O-CG 3.32Å; M53-L57 PolarHBondContact O-N 3.45Å; M53-L103 HydrophobicContact CB-CD1 3.92Å; M53-L103 HydrophobicContact CB-CD2 4.45Å
54T88.1Confident83.8Confident17 Ų1776.7 Ų76.710%0.10440%0.398CS..Hα-helixtrans-58.2-43.1176.6-60.10000110.3V50 D51 L57 S58 L100 L103V50-T54 WeakPolarHBondContact O-CB 3.45Å; V50-T54 PolarHBondContact O-N 3.45Å; V50-T54 PolarHBondContact O-OG1 3.22Å; D51-T54 PolarHBondContact O-N 3.38Å; T54-L57 PolarHBondContact O-N 3.07Å; T54-S58 WeakPolarHBondContact O-CB 3.17Å; T54-S58 PolarHBondContact O-N 2.86Å; T54-S58 PolarHBondContact O-OG 2.7Å; T54-L100 HydrophobicContact CG2-CD2 4.02Å; T54-L103 VanDerWaalsContact OG1-CB 3.31Å; T54-L103 WeakPolarHBondContact OG1-CB 3.3Å
55T89.9Confident85.3Confident86 Ų8675.1 Ų75.153%0.52839%0.394SS..Hα-helixtrans-59.9-51.2177.6-60.10000111.4D51 E52 M53 S58 D59D51-T55 WeakPolarHBondContact O-CB 3.46Å; D51-T55 PolarHBondContact O-N 2.89Å; D51-T55 PolarHBondContact O-OG1 2.78Å; E52-T55 PolarHBondContact O-N 3.33Å; M53-T55 VanDerWaalsContact C-N 3.26Å; M53-T55 PolarHBondContact O-N 3.36Å; T55-S58 PolarHBondContact O-N 3.47Å; T55-S58 PolarHBondContact O-OG 3.26Å; T55-D59 PolarHBondContact O-N 2.78Å
56I90.4Very high86.7Confident78 Ų7873.8 Ų73.840%0.439%0.389SS..Hα-helixtrans-63.1-45.2179.8-68.2164.1000111.3E52 M53 S58 D59 Y62E52-I56 VanDerWaalsContact O-CG1 3.28Å; E52-I56 WeakPolarHBondContact O-CG1 3.07Å; E52-I56 PolarHBondContact O-N 3.48Å; M53-I56 PolarHBondContact O-N 2.89Å; I56-S58 VanDerWaalsContact C-N 3.33Å; I56-S58 PolarHBondContact O-N 2.6Å; I56-D59 WeakPolarHBondContact O-CB 3.36Å; I56-D59 PolarHBondContact O-N 3.14Å; I56-Y62 HydrophobicContact CG2-CD1 3.89Å; I56-Y62 HydrophobicContact CG2-CD2 4.1Å; I56-Y62 HydrophobicContact CG2-CE1 3.84Å; I56-Y62 HydrophobicContact CG2-CE2 4.05Å; I56-Y62 HydrophobicContact CG2-CG 4.01Å
57L91.1Very high88.1Confident24 Ų2473.9 Ų73.913%0.12639%0.385CS..Hα-helixtrans-75.5-23.8-175.1-67.3165.4000112.7M53 T54 D59 Y62 Q63 F96 L99 L100 L103M53-L57 HydrophobicContact CB-CD1 4.32Å; M53-L57 VanDerWaalsContact O-CB 3.26Å; M53-L57 WeakPolarHBondContact O-CB 3.19Å; M53-L57 WeakPolarHBondContact O-CD1 3.37Å; M53-L57 WeakPolarHBondContact O-CG 3.32Å; M53-L57 PolarHBondContact O-N 3.45Å; T54-L57 PolarHBondContact O-N 3.07Å; L57-D59 VanDerWaalsContact C-N 3.32Å; L57-Y62 HydrophobicContact CD2-CE1 4.11Å; L57-Q63 PolarHBondContact O-NE2 3.01Å; L57-F96 HydrophobicContact CD2-CD1 4.13Å; L57-F96 HydrophobicContact CD2-CE1 3.84Å; L57-L99 HydrophobicContact CD1-CD2 3.35Å; L57-L99 HydrophobicContact CD1-CG 3.68Å; L57-L99 HydrophobicContact CD2-CD2 3.69Å; L57-L99 HydrophobicContact CG-CD2 4.09Å; L57-L100 HydrophobicContact CB-CD2 4.02Å; L57-L103 HydrophobicContact CD1-CD1 3.53Å
58S92.9Very high89.1Confident59 Ų5971.5 Ų71.541%0.41338%0.377SS..Hα-helixtrans-78.4-14.6174.471.20000113.4T54 T55 I56 P60T54-S58 WeakPolarHBondContact O-CB 3.17Å; T54-S58 PolarHBondContact O-N 2.86Å; T54-S58 PolarHBondContact O-OG 2.7Å; T55-S58 PolarHBondContact O-N 3.47Å; T55-S58 PolarHBondContact O-OG 3.26Å; I56-S58 VanDerWaalsContact C-N 3.33Å; I56-S58 PolarHBondContact O-N 2.6Å; S58-P60 WeakPolarHBondContact O-CD 3.02Å
59D93.6Very high90Very high68 Ų6868.2 Ų68.236%0.36437%0.372SS..  trans-70.7114.2178.9-179-1.9000110.9T55 I56 L57 T61 Y62 Q63T55-D59 PolarHBondContact O-N 2.78Å; I56-D59 WeakPolarHBondContact O-CB 3.36Å; I56-D59 PolarHBondContact O-N 3.14Å; L57-D59 VanDerWaalsContact C-N 3.32Å; D59-T61 PolarHBondContact O-N 2.9Å; D59-T61 VanDerWaalsContact O-N 3.14Å; D59-T61 WeakPolarHBondContact OD1-CB 3.35Å; D59-T61 PolarHBondContact OD1-N 2.92Å; D59-T61 PolarHBondContact OD1-OG1 3.04Å; D59-T61 VanDerWaalsContact OD1-OG1 3.06Å; D59-Y62 PolarHBondContact O-N 2.82Å; D59-Y62 VanDerWaalsContact O-N 3.11Å; D59-Q63 WeakPolarHBondContact O-CG 2.96Å; D59-Q63 PolarHBondContact O-N 3.04Å
60P94.3Very high90.8Very high96 Ų9667.3 Ų67.362%0.62337%0.368SS*.Hα-helixtrans-60.3-26.5178.7-22.334.6000113.4S58 K64S58-P60 WeakPolarHBondContact O-CD 3.02Å; P60-K64 VanDerWaalsContact O-CB 3.28Å; P60-K64 WeakPolarHBondContact O-CB 3.21Å; P60-K64 PolarHBondContact O-N 3.11Å
61T94.4Very high91.5Very high83 Ų8368.1 Ų68.151%0.50937%0.37SS..Hα-helixtrans-68.2-48.9176.5-45.50000110D59 Q63 K64 D65D59-T61 PolarHBondContact O-N 2.9Å; D59-T61 VanDerWaalsContact O-N 3.14Å; D59-T61 WeakPolarHBondContact OD1-CB 3.35Å; D59-T61 PolarHBondContact OD1-N 2.92Å; D59-T61 PolarHBondContact OD1-OG1 3.04Å; D59-T61 VanDerWaalsContact OD1-OG1 3.06Å; T61-Q63 VanDerWaalsContact C-N 3.34Å; T61-Q63 PolarHBondContact O-N 3.26Å; T61-K64 PolarHBondContact O-N 3.46Å; T61-D65 PolarHBondContact O-N 3.08Å
62Y91.8Very high92.1Very high95 Ų9569.6 Ų69.637%0.37338%0.378SS..Hα-helixtrans-59.9-44.7176.4-175-100.6000111.5I56 L57 D59 K64 D65 I66I56-Y62 HydrophobicContact CG2-CD1 3.89Å; I56-Y62 HydrophobicContact CG2-CD2 4.1Å; I56-Y62 HydrophobicContact CG2-CE1 3.84Å; I56-Y62 HydrophobicContact CG2-CE2 4.05Å; I56-Y62 HydrophobicContact CG2-CG 4.01Å; L57-Y62 HydrophobicContact CD2-CE1 4.11Å; D59-Y62 PolarHBondContact O-N 2.82Å; D59-Y62 VanDerWaalsContact O-N 3.11Å; Y62-K64 VanDerWaalsContact C-N 3.32Å; Y62-K64 PolarHBondContact O-N 3.33Å; Y62-D65 PolarHBondContact O-N 3.13Å; Y62-I66 HydrophobicContact CD1-CG1 4.29Å; Y62-I66 HydrophobicContact CE1-CD1 4.39Å; Y62-I66 HydrophobicContact CE1-CG1 3.89Å; Y62-I66 WeakPolarHBondContact O-CG1 3.28Å; Y62-I66 PolarHBondContact O-N 3.25Å
63Q92.9Very high92.4Very high45 Ų4570.3 Ų70.321%0.2138%0.384CS..Hα-helixtrans-58.5-44.6176.4-64.6-173.611.400112L57 D59 T61 I66 Q67 F96L57-Q63 PolarHBondContact O-NE2 3.01Å; D59-Q63 WeakPolarHBondContact O-CG 2.96Å; D59-Q63 PolarHBondContact O-N 3.04Å; T61-Q63 VanDerWaalsContact C-N 3.34Å; T61-Q63 PolarHBondContact O-N 3.26Å; Q63-I66 PolarHBondContact O-N 2.81Å; Q63-Q67 WeakPolarHBondContact O-CB 3.44Å; Q63-Q67 PolarHBondContact O-N 3.39Å; Q63-F96 HydrophobicContact CB-CD2 3.78Å; Q63-F96 HydrophobicContact CB-CE2 3.55Å; Q63-F96 HydrophobicContact CB-CG 4.37Å; Q63-F96 HydrophobicContact CB-CZ 3.98Å; Q63-F96 HydrophobicContact CG-CB 4.34Å; Q63-F96 HydrophobicContact CG-CD1 3.79Å; Q63-F96 HydrophobicContact CG-CD2 3.58Å; Q63-F96 HydrophobicContact CG-CE1 3.9Å; Q63-F96 HydrophobicContact CG-CE2 3.68Å; Q63-F96 HydrophobicContact CG-CG 3.65Å; Q63-F96 HydrophobicContact CG-CZ 3.86Å
64K94.1Very high92.7Very high150 Ų15065.6 Ų65.665%0.65236%0.361SS*.Hα-helixtrans-66.7-36.4178.4-173.3179.7-179.8-179.30112.6P60 T61 Y62 Q67 G68P60-K64 VanDerWaalsContact O-CB 3.28Å; P60-K64 WeakPolarHBondContact O-CB 3.21Å; P60-K64 PolarHBondContact O-N 3.11Å; T61-K64 PolarHBondContact O-N 3.46Å; Y62-K64 VanDerWaalsContact C-N 3.32Å; Y62-K64 PolarHBondContact O-N 3.33Å; K64-Q67 PolarHBondContact O-N 3.49Å; K64-G68 PolarHBondContact O-N 3.46Å
65D93.6Very high93Very high104 Ų10470.4 Ų70.456%0.55638%0.377SS*.Hα-helixtrans-66.1-43.9177.2-74.6-14.9000111.2T61 Y62 G68 A69T61-D65 PolarHBondContact O-N 3.08Å; Y62-D65 PolarHBondContact O-N 3.13Å; D65-G68 PolarHBondContact O-N 2.86Å; D65-A69 WeakPolarHBondContact O-CB 3.37Å; D65-A69 PolarHBondContact O-N 3.21Å
66I92.1Very high93.2Very high60 Ų6073.2 Ų73.231%0.30839%0.386SS..Hα-helixtrans-60.9-48.3173.4-66.2-64000110.8Y62 Q63 G68 A69 I70 F96Y62-I66 HydrophobicContact CD1-CG1 4.29Å; Y62-I66 HydrophobicContact CE1-CD1 4.39Å; Y62-I66 HydrophobicContact CE1-CG1 3.89Å; Y62-I66 WeakPolarHBondContact O-CG1 3.28Å; Y62-I66 PolarHBondContact O-N 3.25Å; Q63-I66 PolarHBondContact O-N 2.81Å; I66-G68 VanDerWaalsContact C-N 3.3Å; I66-G68 PolarHBondContact O-N 3.39Å; I66-A69 PolarHBondContact O-N 3.45Å; I66-I70 HydrophobicContact CG2-CD1 3.97Å; I66-I70 WeakPolarHBondContact O-CG1 3.26Å; I66-I70 PolarHBondContact O-N 3.23Å; I66-F96 HydrophobicContact CB-CZ 4.04Å; I66-F96 HydrophobicContact CG1-CZ 4.27Å; I66-F96 HydrophobicContact CG2-CZ 4.08Å
67Q93.2Very high93.3Very high43 Ų4373.4 Ų73.420%0.20139%0.387CS..Hα-helixtrans-57.3-44.6176.6-167.4-176.72.400111.5Q63 K64 I70 K71 I88 D89 T92Q63-Q67 WeakPolarHBondContact O-CB 3.44Å; Q63-Q67 PolarHBondContact O-N 3.39Å; K64-Q67 PolarHBondContact O-N 3.49Å; Q67-I70 PolarHBondContact O-N 2.89Å; Q67-K71 WeakPolarHBondContact O-CB 3.42Å; Q67-K71 WeakPolarHBondContact O-CG 3.26Å; Q67-K71 PolarHBondContact O-N 3.48Å; Q67-I88 HydrophobicContact CG-CG2 3.66Å; Q67-D89 PolarHBondContact NE2-OD1 2.96Å; Q67-T92 HydrophobicContact CB-CG2 4.12Å; Q67-T92 HydrophobicContact CG-CG2 4.27Å
68G93.6Very high93.3Very high28 Ų2877.5 Ų77.529%0.28942%0.415SS..Hα-helixtrans-63.8-40.8177.700000113K64 D65 I66 K71 N72K64-G68 PolarHBondContact O-N 3.46Å; D65-G68 PolarHBondContact O-N 2.86Å; I66-G68 VanDerWaalsContact C-N 3.3Å; I66-G68 PolarHBondContact O-N 3.39Å; G68-K71 PolarHBondContact O-N 2.97Å; G68-N72 VanDerWaalsContact O-CG 3.3Å; G68-N72 PolarHBondContact O-N 3.34Å; G68-N72 PolarHBondContact O-ND2 2.78Å
69A93.6Very high93.4Very high55 Ų5583.3 Ų83.346%0.45544%0.435SS..Hα-helixtrans-60.9-45.4175.800000111.4D65 I66 N72 L73D65-A69 WeakPolarHBondContact O-CB 3.37Å; D65-A69 PolarHBondContact O-N 3.21Å; I66-A69 PolarHBondContact O-N 3.45Å; A69-N72 WeakPolarHBondContact O-CB 3.47Å; A69-N72 PolarHBondContact O-N 2.62Å; A69-L73 PolarHBondContact O-N 3.03Å
70I93.7Very high93.4Very high61 Ų6183.6 Ų83.631%0.31344%0.436SS..Hα-helixtrans-70-39179.1-55164.2000110.9I66 Q67 N72 L73 C74 I88I66-I70 HydrophobicContact CG2-CD1 3.97Å; I66-I70 WeakPolarHBondContact O-CG1 3.26Å; I66-I70 PolarHBondContact O-N 3.23Å; Q67-I70 PolarHBondContact O-N 2.89Å; I70-N72 PolarHBondContact O-N 3.08Å; I70-L73 WeakPolarHBondContact O-CA 3.44Å; I70-L73 VanDerWaalsContact O-CB 3.28Å; I70-L73 WeakPolarHBondContact O-CB 3.31Å; I70-L73 PolarHBondContact O-N 2.95Å; I70-C74 PolarHBondContact O-N 3.02Å; I70-I88 HydrophobicContact CB-CD1 4.3Å; I70-I88 HydrophobicContact CB-CG1 4.41Å; I70-I88 HydrophobicContact CB-CG2 4.44Å; I70-I88 HydrophobicContact CG2-CD1 3.39Å; I70-I88 HydrophobicContact CG2-CG1 3.74Å
71K93.7Very high93.3Very high40 Ų4084.7 Ų84.717%0.17443%0.428CS..Hα-helixtrans-59.9-34.2172.7-77.3-175.5169.6-1690112.9Q67 G68 L73 C74 R75 E85 I88 D89Q67-K71 WeakPolarHBondContact O-CB 3.42Å; Q67-K71 WeakPolarHBondContact O-CG 3.26Å; Q67-K71 PolarHBondContact O-N 3.48Å; G68-K71 PolarHBondContact O-N 2.97Å; K71-L73 VanDerWaalsContact C-N 3.27Å; K71-L73 PolarHBondContact O-N 2.78Å; K71-C74 WeakPolarHBondContact O-CB 3.5Å; K71-C74 PolarHBondContact O-N 3.02Å; K71-R75 WeakPolarHBondContact O-CG 3.26Å; K71-R75 PolarHBondContact O-N 2.92Å; K71-E85 HydrophobicContact CB-CG 4.41Å; K71-E85 HydrophobicContact CG-CG 4.19Å; K71-I88 HydrophobicContact CG-CB 4.33Å; K71-I88 HydrophobicContact CG-CG2 4Å; K71-D89 VanDerWaalsContact CE-CG 3.45Å; K71-D89 WeakPolarHBondContact CE-OD1 3.38Å; K71-D89 WeakPolarHBondContact CE-OD2 3.27Å; K71-D89 IonicContact NZ-OD1 3.26Å; K71-D89 PolarHBondContact NZ-OD1 2.65Å; K71-D89 IonicContact NZ-OD2 3.63Å; K71-D89 PolarHBondContact NZ-OD2 2.69Å
72N93.3Very high93.2Very high79 Ų7984.4 Ų84.442%0.42243%0.429SS..Hα-helixtrans-64.2-34.4173.9-72.5-28.5000111.8G68 A69 I70 R75 M76G68-N72 VanDerWaalsContact O-CG 3.3Å; G68-N72 PolarHBondContact O-N 3.34Å; G68-N72 PolarHBondContact O-ND2 2.78Å; A69-N72 WeakPolarHBondContact O-CB 3.47Å; A69-N72 PolarHBondContact O-N 2.62Å; I70-N72 PolarHBondContact O-N 3.08Å; N72-R75 PolarHBondContact O-N 3Å; N72-R75 PolarHBondContact OD1-NH1 2.79Å; N72-R75 VanDerWaalsContact OD1-NH1 3.08Å; N72-M76 WeakPolarHBondContact O-CG 3.23Å; N72-M76 PolarHBondContact O-N 3.23Å
73L93.3Very high93.4Very high105 Ų10586.7 Ų86.755%0.5544%0.444SS..Hα-helixtrans-65.9-43.9171-57.7174.9000111.1A69 I70 K71 R75 M76A69-L73 PolarHBondContact O-N 3.03Å; I70-L73 WeakPolarHBondContact O-CA 3.44Å; I70-L73 VanDerWaalsContact O-CB 3.28Å; I70-L73 WeakPolarHBondContact O-CB 3.31Å; I70-L73 PolarHBondContact O-N 2.95Å; K71-L73 VanDerWaalsContact C-N 3.27Å; K71-L73 PolarHBondContact O-N 2.78Å; L73-R75 PolarHBondContact O-N 3.06Å; L73-M76 HydrophobicContact CD2-SD 4.4Å; L73-M76 WeakPolarHBondContact O-CB 3.48Å; L73-M76 PolarHBondContact O-N 3.28Å
74C93.5Very high93.5Very high1 Ų186.1 Ų86.11%0.00744%0.444CS..Hα-helixtrans-54.8-38.5174.6-65.20000112.6I70 K71 M76 I77 C84 E85I70-C74 PolarHBondContact O-N 3.02Å; K71-C74 WeakPolarHBondContact O-CB 3.5Å; K71-C74 PolarHBondContact O-N 3.02Å; C74-M76 VanDerWaalsContact C-N 3.26Å; C74-M76 PolarHBondContact O-N 3.33Å; C74-I77 PolarHBondContact O-N 3.43Å; C74-I77 VanDerWaalsContact O-N 3.16Å; C74-C84 VanDerWaalsContact CA-SG 3.5Å; C74-C84 HydrophobicContact CB-CB 3.51Å; C74-C84 WeakPolarHBondContact CB-SG 3.12Å; C74-C84 WeakPolarHBondContact SG-CB 3.19Å; C74-C84 CovalentContact SG-SG 2.03Å; C74-C84 PolarHBondContact SG-SG 2.83Å; C74-E85 HydrophobicContact CB-CG 3.91Å
75R93.4Very high93.6Very high119 Ų11980.5 Ų80.545%0.44942%0.42SS..Hα-helixtrans-68.9-21.6179.5-69.4168.5-174.7170-2.4113.9K71 N72 L73 I77 R81 E85K71-R75 WeakPolarHBondContact O-CG 3.26Å; K71-R75 PolarHBondContact O-N 2.92Å; N72-R75 PolarHBondContact O-N 3Å; N72-R75 PolarHBondContact OD1-NH1 2.79Å; N72-R75 VanDerWaalsContact OD1-NH1 3.08Å; L73-R75 PolarHBondContact O-N 3.06Å; R75-I77 PolarHBondContact O-N 3.42Å; R75-R81 HydrophobicContact CG-CG 4.42Å; R75-E85 WeakPolarHBondContact CG-OE1 3.47Å; R75-E85 IonicContact CZ-OE1 2.75Å; R75-E85 IonicContact NE-OE1 2.73Å; R75-E85 PolarHBondContact NE-OE1 3.27Å; R75-E85 IonicContact NH2-OE1 3.44Å; R75-E85 PolarHBondContact NH2-OE1 2.85Å
76M94.6Very high93.7Very high145 Ų14580 Ų8071%0.71442%0.417SS*.THydrogen-bonded Turntrans-73.4-11.8174.9-62.2-177.4-175.100112.4N72 L73 C74 P78N72-M76 WeakPolarHBondContact O-CG 3.23Å; N72-M76 PolarHBondContact O-N 3.23Å; L73-M76 HydrophobicContact CD2-SD 4.4Å; L73-M76 WeakPolarHBondContact O-CB 3.48Å; L73-M76 PolarHBondContact O-N 3.28Å; C74-M76 VanDerWaalsContact C-N 3.26Å; C74-M76 PolarHBondContact O-N 3.33Å; M76-P78 WeakPolarHBondContact O-CD 3.06Å
77I92.6Very high93.8Very high82 Ų8278.7 Ų78.742%0.42142%0.416SS..  trans-115.691.5-178.7-46.5176.6000109.3C74 R75 Q79 I80 R81C74-I77 PolarHBondContact O-N 3.43Å; C74-I77 VanDerWaalsContact O-N 3.16Å; R75-I77 PolarHBondContact O-N 3.42Å; I77-Q79 VanDerWaalsContact C-N 3.26Å; I77-Q79 PolarHBondContact O-N 3.01Å; I77-I80 HydrophobicContact CB-CG1 4.02Å; I77-I80 HydrophobicContact CD1-CD1 4.31Å; I77-I80 HydrophobicContact CG2-CD1 4.12Å; I77-I80 HydrophobicContact CG2-CG1 3.61Å; I77-I80 PolarHBondContact O-N 3.08Å; I77-R81 PolarHBondContact O-N 3.33Å; I77-R81 VanDerWaalsContact O-N 3.13Å
78P91.7Very high93.8Very high109 Ų10977.9 Ų77.971%0.70841%0.413SS*.G310 helixtrans-58.4-34.7-173.5-26.534.8000114.3M76 I80M76-P78 WeakPolarHBondContact O-CD 3.06Å; P78-I80 VanDerWaalsContact C-N 3.32Å; P78-I80 PolarHBondContact O-N 3.44Å
79Q94.7Very high93.9Very high181 Ų18179.6 Ų79.685%0.84642%0.415SS*.G310 helixtrans-64.6-33.6-173.1-55-72.44000113.1I77I77-Q79 VanDerWaalsContact C-N 3.26Å; I77-Q79 PolarHBondContact O-N 3.01Å
80I92.7Very high93.8Very high75 Ų7581 Ų8139%0.38542%0.422SS..G310 helixtrans-124.412.1-173.661.4166.7000112.6I77 P78 S82 E83 C84I77-I80 HydrophobicContact CB-CG1 4.02Å; I77-I80 HydrophobicContact CD1-CD1 4.31Å; I77-I80 HydrophobicContact CG2-CD1 4.12Å; I77-I80 HydrophobicContact CG2-CG1 3.61Å; I77-I80 PolarHBondContact O-N 3.08Å; P78-I80 VanDerWaalsContact C-N 3.32Å; P78-I80 PolarHBondContact O-N 3.44Å; I80-S82 VanDerWaalsContact C-N 3.32Å; I80-S82 PolarHBondContact O-N 3.37Å; I80-E83 PolarHBondContact O-N 3.44Å; I80-E83 VanDerWaalsContact O-N 3.09Å; I80-C84 WeakPolarHBondContact O-CB 3.18Å; I80-C84 PolarHBondContact O-N 2.88Å
81R92.3Very high93.7Very high118 Ų11885.6 Ų85.645%0.44544%0.436SS..Hα-helixtrans-49-52.2-171.6173.7-179.3170.5174.82.2112.6R75 I77 E85R75-R81 HydrophobicContact CG-CG 4.42Å; I77-R81 PolarHBondContact O-N 3.33Å; I77-R81 VanDerWaalsContact O-N 3.13Å; R81-E85 IonicContact NE-OE2 2.57Å; R81-E85 WeakPolarHBondContact O-CB 3.21Å; R81-E85 WeakPolarHBondContact O-CG 3.49Å; R81-E85 PolarHBondContact O-N 3.46Å
82S94Very high93.4Very high77 Ų7784.1 Ų84.154%0.53843%0.43SS..Hα-helixtrans-67.9-39.9-176.9-173.70000112.1I80 N86I80-S82 VanDerWaalsContact C-N 3.32Å; I80-S82 PolarHBondContact O-N 3.37Å; S82-N86 VanDerWaalsContact O-CB 3.3Å; S82-N86 WeakPolarHBondContact O-CB 3.39Å; S82-N86 PolarHBondContact O-N 3.03Å; S82-N86 PolarHBondContact O-ND2 3.48Å
83E95Very high93.3Very high144 Ų14483.4 Ų83.467%0.67343%0.43SS*.Hα-helixtrans-66.1-44.8179.4-175175.5-179.900110.8I80 N86 A87I80-E83 PolarHBondContact O-N 3.44Å; I80-E83 VanDerWaalsContact O-N 3.09Å; E83-N86 PolarHBondContact O-N 3.28Å; E83-A87 WeakPolarHBondContact O-CB 3.13Å; E83-A87 PolarHBondContact O-N 2.91Å
84C96.1Very high93.2Very high33 Ų3380.3 Ų80.322%0.22342%0.42CS..Hα-helixtrans-61.8-49.7175-173.70000111.2C74 I80 N86 A87 I88C74-C84 VanDerWaalsContact CA-SG 3.5Å; C74-C84 HydrophobicContact CB-CB 3.51Å; C74-C84 WeakPolarHBondContact CB-SG 3.12Å; C74-C84 WeakPolarHBondContact SG-CB 3.19Å; C74-C84 CovalentContact SG-SG 2.03Å; C74-C84 PolarHBondContact SG-SG 2.83Å; I80-C84 WeakPolarHBondContact O-CB 3.18Å; I80-C84 PolarHBondContact O-N 2.88Å; C84-N86 VanDerWaalsContact C-N 3.33Å; C84-N86 PolarHBondContact O-N 2.93Å; C84-A87 WeakPolarHBondContact O-CB 3.48Å; C84-A87 PolarHBondContact O-N 3.3Å; C84-I88 VanDerWaalsContact O-CG1 3.32Å; C84-I88 WeakPolarHBondContact O-CG1 3.39Å; C84-I88 PolarHBondContact O-N 3.27Å
85E95.3Very high93.1Very high31 Ų3185.2 Ų85.215%0.14545%0.445CS..Hα-helixtrans-59.7-42178.4-74.3-174.813900112K71 C74 R75 R81 I88 D89K71-E85 HydrophobicContact CB-CG 4.41Å; K71-E85 HydrophobicContact CG-CG 4.19Å; C74-E85 HydrophobicContact CB-CG 3.91Å; R75-E85 WeakPolarHBondContact CG-OE1 3.47Å; R75-E85 IonicContact CZ-OE1 2.75Å; R75-E85 IonicContact NE-OE1 2.73Å; R75-E85 PolarHBondContact NE-OE1 3.27Å; R75-E85 IonicContact NH2-OE1 3.44Å; R75-E85 PolarHBondContact NH2-OE1 2.85Å; R81-E85 IonicContact NE-OE2 2.57Å; R81-E85 WeakPolarHBondContact O-CB 3.21Å; R81-E85 WeakPolarHBondContact O-CG 3.49Å; R81-E85 PolarHBondContact O-N 3.46Å; E85-I88 PolarHBondContact O-N 3.48Å; E85-D89 PolarHBondContact O-N 3.35Å
86N95Very high93Very high93 Ų9380.2 Ų80.250%0.49743%0.426SS..Hα-helixtrans-66.2-38.2176.8-70.6-18000112.5S82 E83 C84 D89 S90S82-N86 VanDerWaalsContact O-CB 3.3Å; S82-N86 WeakPolarHBondContact O-CB 3.39Å; S82-N86 PolarHBondContact O-N 3.03Å; S82-N86 PolarHBondContact O-ND2 3.48Å; E83-N86 PolarHBondContact O-N 3.28Å; C84-N86 VanDerWaalsContact C-N 3.33Å; C84-N86 PolarHBondContact O-N 2.93Å; N86-D89 PolarHBondContact O-N 3.43Å; N86-S90 PolarHBondContact O-N 3.08Å; N86-S90 VanDerWaalsContact O-N 3.09Å; N86-S90 PolarHBondContact O-OG 2.9Å
87A94.2Very high92.8Very high33 Ų3379.1 Ų79.127%0.27342%0.42SS..Hα-helixtrans-63.5-47.1175.100000110.6E83 C84 D89 S90 Y91E83-A87 WeakPolarHBondContact O-CB 3.13Å; E83-A87 PolarHBondContact O-N 2.91Å; C84-A87 WeakPolarHBondContact O-CB 3.48Å; C84-A87 PolarHBondContact O-N 3.3Å; A87-D89 VanDerWaalsContact C-N 3.29Å; A87-D89 PolarHBondContact O-N 3.41Å; A87-S90 PolarHBondContact O-N 3.44Å; A87-Y91 HydrophobicContact CB-CD2 4.02Å; A87-Y91 HydrophobicContact CB-CE2 4.02Å; A87-Y91 WeakPolarHBondContact O-CB 3.19Å; A87-Y91 WeakPolarHBondContact O-CD2 3.38Å; A87-Y91 PolarHBondContact O-N 3.13Å
88I94.4Very high92.8Very high27 Ų2780.3 Ų80.314%0.13843%0.427CS..Hα-helixtrans-58.7-42.5176-63.4-47.7000111Q67 I70 K71 C84 E85 S90 T92Q67-I88 HydrophobicContact CG-CG2 3.66Å; I70-I88 HydrophobicContact CB-CD1 4.3Å; I70-I88 HydrophobicContact CB-CG1 4.41Å; I70-I88 HydrophobicContact CB-CG2 4.44Å; I70-I88 HydrophobicContact CG2-CD1 3.39Å; I70-I88 HydrophobicContact CG2-CG1 3.74Å; K71-I88 HydrophobicContact CG-CB 4.33Å; K71-I88 HydrophobicContact CG-CG2 4Å; C84-I88 VanDerWaalsContact O-CG1 3.32Å; C84-I88 WeakPolarHBondContact O-CG1 3.39Å; C84-I88 PolarHBondContact O-N 3.27Å; E85-I88 PolarHBondContact O-N 3.48Å; I88-S90 PolarHBondContact O-N 3.08Å; I88-T92 VanDerWaalsContact O-CB 3.22Å; I88-T92 WeakPolarHBondContact O-CB 3.46Å; I88-T92 PolarHBondContact O-N 2.75Å; I88-T92 PolarHBondContact O-OG1 3.41Å
89D94Very high92.6Very high64 Ų6478.2 Ų78.234%0.34241%0.409SS..Hα-helixtrans-61.1-31.6175.9-75.6-23.8000114.1Q67 K71 E85 N86 A87 P93Q67-D89 PolarHBondContact NE2-OD1 2.96Å; K71-D89 VanDerWaalsContact CE-CG 3.45Å; K71-D89 WeakPolarHBondContact CE-OD1 3.38Å; K71-D89 WeakPolarHBondContact CE-OD2 3.27Å; K71-D89 IonicContact NZ-OD1 3.26Å; K71-D89 PolarHBondContact NZ-OD1 2.65Å; K71-D89 IonicContact NZ-OD2 3.63Å; K71-D89 PolarHBondContact NZ-OD2 2.69Å; E85-D89 PolarHBondContact O-N 3.35Å; N86-D89 PolarHBondContact O-N 3.43Å; A87-D89 VanDerWaalsContact C-N 3.29Å; A87-D89 PolarHBondContact O-N 3.41Å; D89-P93 WeakPolarHBondContact O-CD 3.1Å
90S92.3Very high92.5Very high85 Ų8571.1 Ų71.159%0.59438%0.377SS*.Hα-helixtrans-86.7-38.8-177.6-54.60000112.6N86 A87 I88N86-S90 PolarHBondContact O-N 3.08Å; N86-S90 VanDerWaalsContact O-N 3.09Å; N86-S90 PolarHBondContact O-OG 2.9Å; A87-S90 PolarHBondContact O-N 3.44Å; I88-S90 PolarHBondContact O-N 3.08Å
91Y91.9Very high92.3Very high156 Ų15671.3 Ų71.361%0.61238%0.379SS*.Hα-helixtrans-90.1-35.8-172.2-68.9-61.3000113.6A87 A94 I95A87-Y91 HydrophobicContact CB-CD2 4.02Å; A87-Y91 HydrophobicContact CB-CE2 4.02Å; A87-Y91 WeakPolarHBondContact O-CB 3.19Å; A87-Y91 WeakPolarHBondContact O-CD2 3.38Å; A87-Y91 PolarHBondContact O-N 3.13Å; Y91-A94 PolarHBondContact O-N 3.47Å; Y91-I95 VanDerWaalsContact O-CG1 3.32Å; Y91-I95 WeakPolarHBondContact O-CG1 3.39Å; Y91-I95 PolarHBondContact O-N 3.44Å
92T88.1Confident91.7Very high9 Ų971.4 Ų71.46%0.05538%0.38CS..Hα-helixtrans-58.2-43.8-174.6-63.60000113.4Q67 I88 A94 I95 F96Q67-T92 HydrophobicContact CB-CG2 4.12Å; Q67-T92 HydrophobicContact CG-CG2 4.27Å; I88-T92 VanDerWaalsContact O-CB 3.22Å; I88-T92 WeakPolarHBondContact O-CB 3.46Å; I88-T92 PolarHBondContact O-N 2.75Å; I88-T92 PolarHBondContact O-OG1 3.41Å; T92-A94 PolarHBondContact O-N 3.21Å; T92-I95 PolarHBondContact O-N 3.27Å; T92-F96 HydrophobicContact CG2-CD2 3.57Å; T92-F96 HydrophobicContact CG2-CE2 3.32Å; T92-F96 VanDerWaalsContact O-CD2 3.26Å; T92-F96 WeakPolarHBondContact O-CD2 3.2Å; T92-F96 PolarHBondContact O-N 3.11Å; T92-F96 VanDerWaalsContact O-N 3.09Å
93P90.5Very high91.2Very high65 Ų6568.2 Ų68.242%0.42236%0.357SS..Hα-helixtrans-59-46.4176.5-24.935.5000113D89 I95 F96 E97D89-P93 WeakPolarHBondContact O-CD 3.1Å; P93-I95 VanDerWaalsContact C-N 3.31Å; P93-I95 PolarHBondContact O-N 3.22Å; P93-F96 PolarHBondContact O-N 2.6Å; P93-E97 WeakPolarHBondContact O-CB 3.35Å; P93-E97 PolarHBondContact O-N 2.87Å
94A91.2Very high90.5Very high40 Ų4064.3 Ų64.333%0.33134%0.341SS..Hα-helixtrans-65.6-34179.300000112.3Y91 T92 N98Y91-A94 PolarHBondContact O-N 3.47Å; T92-A94 PolarHBondContact O-N 3.21Å; A94-N98 WeakPolarHBondContact O-CB 3.47Å; A94-N98 PolarHBondContact O-N 2.83Å; A94-N98 PolarHBondContact O-ND2 3.18Å
95I90.9Very high89.5Confident103 Ų10369.3 Ų69.353%0.52836%0.361SS..Hα-helixtrans-65.5-45.4175.7-69.6165.7000110.6Y91 T92 P93 L99Y91-I95 VanDerWaalsContact O-CG1 3.32Å; Y91-I95 WeakPolarHBondContact O-CG1 3.39Å; Y91-I95 PolarHBondContact O-N 3.44Å; T92-I95 PolarHBondContact O-N 3.27Å; P93-I95 VanDerWaalsContact C-N 3.31Å; P93-I95 PolarHBondContact O-N 3.22Å; I95-L99 VanDerWaalsContact O-CB 3.32Å; I95-L99 WeakPolarHBondContact O-CB 3.35Å; I95-L99 PolarHBondContact O-N 2.73Å
96F91.6Very high88.2Confident15 Ų1572.4 Ų72.47%0.06637%0.371CS..Hα-helixtrans-66.4-41.1177.8-78.2-63.1000112.1L57 Q63 I66 T92 P93 L99 L100L57-F96 HydrophobicContact CD2-CD1 4.13Å; L57-F96 HydrophobicContact CD2-CE1 3.84Å; Q63-F96 HydrophobicContact CB-CD2 3.78Å; Q63-F96 HydrophobicContact CB-CE2 3.55Å; Q63-F96 HydrophobicContact CB-CG 4.37Å; Q63-F96 HydrophobicContact CB-CZ 3.98Å; Q63-F96 HydrophobicContact CG-CB 4.34Å; Q63-F96 HydrophobicContact CG-CD1 3.79Å; Q63-F96 HydrophobicContact CG-CD2 3.58Å; Q63-F96 HydrophobicContact CG-CE1 3.9Å; Q63-F96 HydrophobicContact CG-CE2 3.68Å; Q63-F96 HydrophobicContact CG-CG 3.65Å; Q63-F96 HydrophobicContact CG-CZ 3.86Å; I66-F96 HydrophobicContact CB-CZ 4.04Å; I66-F96 HydrophobicContact CG1-CZ 4.27Å; I66-F96 HydrophobicContact CG2-CZ 4.08Å; T92-F96 HydrophobicContact CG2-CD2 3.57Å; T92-F96 HydrophobicContact CG2-CE2 3.32Å; T92-F96 VanDerWaalsContact O-CD2 3.26Å; T92-F96 WeakPolarHBondContact O-CD2 3.2Å; T92-F96 PolarHBondContact O-N 3.11Å; T92-F96 VanDerWaalsContact O-N 3.09Å; P93-F96 PolarHBondContact O-N 2.6Å; F96-L99 PolarHBondContact O-N 3.01Å; F96-L100 WeakPolarHBondContact O-CB 3.41Å; F96-L100 VanDerWaalsContact O-CG 3.3Å; F96-L100 WeakPolarHBondContact O-CG 3.3Å; F96-L100 PolarHBondContact O-N 3.43Å
97E91.6Very high86.9Confident122 Ų12273.1 Ų73.157%0.5737%0.37SS*.Hα-helixtrans-58.3-53.5174.6-174.4175.4-17000111.2P93 L99 L100 D101P93-E97 WeakPolarHBondContact O-CB 3.35Å; P93-E97 PolarHBondContact O-N 2.87Å; E97-L99 PolarHBondContact O-N 2.9Å; E97-L100 PolarHBondContact O-N 2.86Å; E97-L100 VanDerWaalsContact O-N 3.12Å; E97-D101 PolarHBondContact O-N 2.74Å
98N91.1Very high85.1Confident106 Ų10676.5 Ų76.557%0.56738%0.383SS*.Hα-helixtrans-58.7-36.2177.7-74.2-47.4000112.9A94 Y102A94-N98 WeakPolarHBondContact O-CB 3.47Å; A94-N98 PolarHBondContact O-N 2.83Å; A94-N98 PolarHBondContact O-ND2 3.18Å; N98-Y102 WeakPolarHBondContact O-CB 3.19Å; N98-Y102 PolarHBondContact O-N 2.9Å
99L88.7Confident83.1Confident65 Ų6578.7 Ų78.734%0.3440%0.398SS..Hα-helixtrans-72.3-39.2179.1-17659.1000111.6L57 I95 F96 E97 Y102 L103L57-L99 HydrophobicContact CD1-CD2 3.35Å; L57-L99 HydrophobicContact CD1-CG 3.68Å; L57-L99 HydrophobicContact CD2-CD2 3.69Å; L57-L99 HydrophobicContact CG-CD2 4.09Å; I95-L99 VanDerWaalsContact O-CB 3.32Å; I95-L99 WeakPolarHBondContact O-CB 3.35Å; I95-L99 PolarHBondContact O-N 2.73Å; F96-L99 PolarHBondContact O-N 3.01Å; E97-L99 PolarHBondContact O-N 2.9Å; L99-Y102 PolarHBondContact O-N 2.72Å; L99-L103 HydrophobicContact CG-CD1 4.49Å; L99-L103 VanDerWaalsContact O-CG 3.26Å; L99-L103 WeakPolarHBondContact O-CG 3.42Å; L99-L103 PolarHBondContact O-N 3.03Å; L99-L103 VanDerWaalsContact O-N 3.08Å
100L91Very high80.9Confident33 Ų3382.2 Ų82.217%0.17342%0.417CS..Hα-helixtrans-65.1-44.8173.7-72.9168.8000110.9T54 L57 F96 E97 Y102 L103 D104T54-L100 HydrophobicContact CG2-CD2 4.02Å; L57-L100 HydrophobicContact CB-CD2 4.02Å; F96-L100 WeakPolarHBondContact O-CB 3.41Å; F96-L100 VanDerWaalsContact O-CG 3.3Å; F96-L100 WeakPolarHBondContact O-CG 3.3Å; F96-L100 PolarHBondContact O-N 3.43Å; E97-L100 PolarHBondContact O-N 2.86Å; E97-L100 VanDerWaalsContact O-N 3.12Å; L100-Y102 VanDerWaalsContact C-N 3.32Å; L100-Y102 PolarHBondContact O-N 2.62Å; L100-L103 PolarHBondContact O-N 3.33Å; L100-L103 VanDerWaalsContact O-N 3.08Å; L100-D104 WeakPolarHBondContact O-CB 3.29Å; L100-D104 PolarHBondContact O-N 2.92Å
101D88.8Confident78.7Confident79 Ų7984.2 Ų84.242%0.42243%0.431SS..Hα-helixtrans-57.1-46.6175.1-73.2-16.5000111.2E97 L103 D104 E105E97-D101 PolarHBondContact O-N 2.74Å; D101-L103 VanDerWaalsContact C-N 3.28Å; D101-L103 PolarHBondContact O-N 3.47Å; D101-D104 PolarHBondContact O-N 3.47Å; D101-E105 WeakPolarHBondContact O-CG 3.46Å; D101-E105 PolarHBondContact O-N 3.27Å
102Y80.7Confident76.6Confident119 Ų11979.4 Ų79.447%0.46742%0.418SS..Hα-helixtrans-60.2-37.3176.7178.4-97000112.6N98 L99 L100 R106N98-Y102 WeakPolarHBondContact O-CB 3.19Å; N98-Y102 PolarHBondContact O-N 2.9Å; L99-Y102 PolarHBondContact O-N 2.72Å; L100-Y102 VanDerWaalsContact C-N 3.32Å; L100-Y102 PolarHBondContact O-N 2.62Å; Y102-R106 VanDerWaalsContact O-CG 3.26Å; Y102-R106 WeakPolarHBondContact O-CG 3.33Å; Y102-R106 PolarHBondContact OH-NH2 2.96Å
103L82.4Confident74.6Confident11 Ų1180.7 Ų80.76%0.05843%0.426CS..Hα-helixtrans-75.8-37.7177.7-66.6171.6000111.9V50 M53 T54 L57 L99 L100 D101 R106 K107V50-L103 HydrophobicContact CG1-CB 4.31Å; V50-L103 HydrophobicContact CG1-CD2 4.2Å; M53-L103 HydrophobicContact CB-CD1 3.92Å; M53-L103 HydrophobicContact CB-CD2 4.45Å; T54-L103 VanDerWaalsContact OG1-CB 3.31Å; T54-L103 WeakPolarHBondContact OG1-CB 3.3Å; L57-L103 HydrophobicContact CD1-CD1 3.53Å; L99-L103 HydrophobicContact CG-CD1 4.49Å; L99-L103 VanDerWaalsContact O-CG 3.26Å; L99-L103 WeakPolarHBondContact O-CG 3.42Å; L99-L103 PolarHBondContact O-N 3.03Å; L99-L103 VanDerWaalsContact O-N 3.08Å; L100-L103 PolarHBondContact O-N 3.33Å; L100-L103 VanDerWaalsContact O-N 3.08Å; D101-L103 VanDerWaalsContact C-N 3.28Å; D101-L103 PolarHBondContact O-N 3.47Å; L103-R106 WeakPolarHBondContact O-CB 3.44Å; L103-R106 PolarHBondContact O-N 3.28Å; L103-R106 VanDerWaalsContact O-N 3.08Å; L103-K107 PolarHBondContact O-N 2.98Å
104D80.8Confident72.5Confident62 Ų6280.5 Ų80.533%0.33243%0.425SS..Hα-helixtrans-66.8-38.2177.3-81.3-11.1000112L100 D101 R106 K107 N108L100-D104 WeakPolarHBondContact O-CB 3.29Å; L100-D104 PolarHBondContact O-N 2.92Å; D101-D104 PolarHBondContact O-N 3.47Å; D104-R106 PolarHBondContact O-N 3.43Å; D104-K107 PolarHBondContact O-N 3.47Å; D104-K107 VanDerWaalsContact O-N 3.13Å; D104-N108 WeakPolarHBondContact O-CB 3.21Å; D104-N108 PolarHBondContact O-N 2.89Å; D104-N108 PolarHBondContact O-ND2 3.37Å
105E75.8Confident70.6Confident137 Ų13779.9 Ų79.964%0.6442%0.415SS*.Hα-helixtrans-57.6-32.5170.5-77.6-177.1177.300112.1D101D101-E105 WeakPolarHBondContact O-CG 3.46Å; D101-E105 PolarHBondContact O-N 3.27Å
106R67.3Low68.1Low97 Ų9780.9 Ų80.937%0.36642%0.418SS..Hα-helixtrans-81.8-26.9177.9-63-69.4-170.2164.33.2112.9V50 Y102 L103 D104 T109V50-R106 HydrophobicContact CG1-CB 4.5Å; Y102-R106 VanDerWaalsContact O-CG 3.26Å; Y102-R106 WeakPolarHBondContact O-CG 3.33Å; Y102-R106 PolarHBondContact OH-NH2 2.96Å; L103-R106 WeakPolarHBondContact O-CB 3.44Å; L103-R106 PolarHBondContact O-N 3.28Å; L103-R106 VanDerWaalsContact O-N 3.08Å; D104-R106 PolarHBondContact O-N 3.43Å; R106-T109 PolarHBondContact O-OG1 3.33Å
107K67.2Low65.8Low107 Ų10787.3 Ų87.347%0.46545%0.453SS..Hα-helixtrans-78.5-41.9177.2-177.7173.3-178.9153.40112.6D51 L103 D104 T109D51-K107 WeakPolarHBondContact OD1-CD 3.28Å; D51-K107 VanDerWaalsContact OD1-CE 3.29Å; D51-K107 WeakPolarHBondContact OD1-CE 2.88Å; D51-K107 IonicContact OD1-NZ 2.8Å; D51-K107 PolarHBondContact OD1-NZ 2.72Å; L103-K107 PolarHBondContact O-N 2.98Å; D104-K107 PolarHBondContact O-N 3.47Å; D104-K107 VanDerWaalsContact O-N 3.13Å; K107-T109 PolarHBondContact O-N 3.42Å
108N57.6Low63.4Low105 Ų10585.6 Ų85.656%0.56145%0.447SS*.  trans-87.32.6-168.8-67.1-33.9000114.7D104 N110D104-N108 WeakPolarHBondContact O-CB 3.21Å; D104-N108 PolarHBondContact O-N 2.89Å; D104-N108 PolarHBondContact O-ND2 3.37Å; N108-N110 PolarHBondContact O-N 3.45Å
109T51.5Low60.9Low72 Ų7289.5 Ų89.544%0.44246%0.458SS..SBendtrans-69.383.3162.754.40000108.7R106 K107 S111R106-T109 PolarHBondContact O-OG1 3.33Å; K107-T109 PolarHBondContact O-N 3.42Å; T109-S111 PolarHBondContact O-N 2.86Å
110N47.2Very low58.5Low139 Ų13987.8 Ų87.874%0.74345%0.451SS*.THydrogen-bonded Turntrans-43.1128-177.1-82.7-28.9000113N108 T112N108-N110 PolarHBondContact O-N 3.45Å; N110-T112 PolarHBondContact O-N 3.05Å
111S47Very low56.2Low127 Ų12792.8 Ų92.889%0.88849%0.489SS*.THydrogen-bonded Turntrans64.3-0.4158.157.70000119.8T109T109-S111 PolarHBondContact O-N 2.86Å
112T47.5Very low53.9Low54 Ų5492.8 Ų92.833%0.33150%0.495SS..SBendtrans-133.3118.1-178.9-78.70000107N110 P114 E116N110-T112 PolarHBondContact O-N 3.05Å; T112-P114 VanDerWaalsContact O-N 3.13Å; T112-E116 WeakPolarHBondContact CB-OE2 3.46Å; T112-E116 HydrophobicContact CG2-CB 3.4Å; T112-E116 HydrophobicContact CG2-CG 4.21Å; T112-E116 WeakPolarHBondContact CG2-OE2 3Å; T112-E116 PolarHBondContact OG1-OE2 2.89Å
113C45.7Very low52.1Low36 Ų3690.3 Ų90.324%0.24351%0.506CS..  trans-40.4128.1163.3-600000106.9C43 F115 E116C43-C113 HydrophobicContact CB-CB 3.98Å; C43-C113 WeakPolarHBondContact CB-SG 3.38Å; C43-C113 WeakPolarHBondContact SG-CB 3.04Å; C43-C113 CovalentContact SG-SG 2.01Å; C43-C113 PolarHBondContact SG-SG 3.38Å; C113-F115 PolarHBondContact O-N 2.79Å; C113-E116 PolarHBondContact O-N 3.04Å
114P47.7Very low50.2Low61 Ų6193.7 Ų93.740%0.39652%0.523SS..THydrogen-bonded Turntrans-58.62.9-174-2432.1000114.7T112T112-P114 VanDerWaalsContact O-N 3.13Å
115F50.1Low48.4Very low27 Ų2793.3 Ų93.312%0.11852%0.524CS..THydrogen-bonded Turntrans-110.41.4-173.1-54.1-53.8000113.5C113 N117 A126 E127 F130C113-F115 PolarHBondContact O-N 2.79Å; F115-N117 PolarHBondContact O-N 2.97Å; F115-A126 HydrophobicContact CB-CB 3.75Å; F115-A126 HydrophobicContact CD1-CB 4.44Å; F115-A126 WeakPolarHBondContact O-CB 3.27Å; F115-E127 HydrophobicContact CB-CB 3.8Å; F115-E127 HydrophobicContact CB-CG 3.98Å; F115-E127 HydrophobicContact CD2-CB 4.46Å; F115-E127 HydrophobicContact CG-CB 4.23Å; F115-F130 HydrophobicContact CD1-CB 4.43Å; F115-F130 AromaticContact CD1-CD2 3.88Å; F115-F130 HydrophobicContact CD1-CD2 3.88Å; F115-F130 HydrophobicContact CD1-CG 4.4Å; F115-F130 HydrophobicContact CE1-CB 3.39Å; F115-F130 HydrophobicContact CE1-CD1 4.35Å; F115-F130 AromaticContact CE1-CD2 3.3Å; F115-F130 HydrophobicContact CE1-CD2 3.3Å; F115-F130 HydrophobicContact CE1-CE2 4.14Å; F115-F130 AromaticContact CE1-CG 3.41Å; F115-F130 HydrophobicContact CE1-CG 3.41Å; F115-F130 VanDerWaalsContact CE1-CG 3.41Å; F115-F130 HydrophobicContact CZ-CB 3.44Å; F115-F130 VanDerWaalsContact CZ-CB 3.44Å; F115-F130 HydrophobicContact CZ-CD2 4.26Å; F115-F130 AromaticContact CZ-CG 3.95Å; F115-F130 HydrophobicContact CZ-CG 3.95Å
116E39.7Very low46.7Very low125 Ų12586.9 Ų86.958%0.58449%0.494SS*.THydrogen-bonded Turntrans-66.8-7.4-173.5-161.7168.6-170.400114.5T112 C113T112-E116 WeakPolarHBondContact CB-OE2 3.46Å; T112-E116 HydrophobicContact CG2-CB 3.4Å; T112-E116 HydrophobicContact CG2-CG 4.21Å; T112-E116 WeakPolarHBondContact CG2-OE2 3Å; T112-E116 PolarHBondContact OG1-OE2 2.89Å; C113-E116 PolarHBondContact O-N 3.04Å
117N43.1Very low45.5Very low150 Ų15083.5 Ų83.580%0.80248%0.483SS*.THydrogen-bonded Turntrans-130.510.2-174.8-70.8-58.9000117.5F115F115-N117 PolarHBondContact O-N 2.97Å
118I40.9Very low44Very low86 Ų8680.7 Ų80.744%0.44148%0.476SS..PPolyproline II helixtrans-99.9120.9175.8-39.7168.2000109.4A126 F130I118-A126 HydrophobicContact CB-CB 3.28Å; I118-A126 HydrophobicContact CD1-CB 4.05Å; I118-A126 HydrophobicContact CG1-CB 3.82Å; I118-A126 HydrophobicContact CG2-CB 4.38Å; I118-A126 WeakPolarHBondContact O-CA 3.42Å; I118-A126 VanDerWaalsContact O-CB 3.26Å; I118-A126 WeakPolarHBondContact O-CB 3.34Å; I118-A126 PolarHBondContact O-N 3.36Å; I118-F130 HydrophobicContact CD1-CE2 4.15Å
119K38.9Very low43.5Very low187 Ų18778.6 Ų78.681%0.81347%0.466SS*.BIsolated β-bridgetrans-92.8122.3167-62.6179.9-177.7179.70107.2
120T38Very low43.3Very low30 Ų3079.9 Ų79.918%0.18447%0.466CS..PPolyproline II helixtrans-67.4161167.969.70000109.4S122 G123 L124 V129T120-S122 PolarHBondContact O-N 2.85Å; T120-S122 PolarHBondContact OG1-OG 3.35Å; T120-G123 PolarHBondContact O-N 2.64Å; T120-L124 HydrophobicContact CG2-CB 4.16Å; T120-L124 WeakPolarHBondContact CG2-O 3.43Å; T120-L124 PolarHBondContact N-O 3.46Å; T120-L124 WeakPolarHBondContact OG1-CA 3.26Å; T120-L124 WeakPolarHBondContact OG1-CB 3.32Å; T120-L124 PolarHBondContact OG1-N 2.9Å; T120-L124 PolarHBondContact OG1-O 2.93Å; T120-L124 VanDerWaalsContact OG1-O 3.05Å; T120-V129 HydrophobicContact CG2-CG2 4.29Å
121S42.6Very low43Very low138 Ų13877.3 Ų77.397%0.96546%0.458SS*.THydrogen-bonded Turntrans-58.3-3.9176.756.60000115
122S40.7Very low42.8Very low79 Ų7975.1 Ų75.155%0.55243%0.433SS*.THydrogen-bonded Turntrans-112.68.7178.751.10000114T120 L124T120-S122 PolarHBondContact O-N 2.85Å; T120-S122 PolarHBondContact OG1-OG 3.35Å; S122-L124 PolarHBondContact O-N 3.39Å
123G42.6Very low42.5Very low67 Ų6775.3 Ų75.369%0.69144%0.435SS*.SBendtrans70.217.6-174.300000113.5T120T120-G123 PolarHBondContact O-N 2.64Å
124L42.9Very low42.4Very low82 Ų8275.2 Ų75.243%0.42944%0.44SS..  trans-88149.4171.9-108.871.6000109.7T120 S122T120-L124 HydrophobicContact CG2-CB 4.16Å; T120-L124 WeakPolarHBondContact CG2-O 3.43Å; T120-L124 PolarHBondContact N-O 3.46Å; T120-L124 WeakPolarHBondContact OG1-CA 3.26Å; T120-L124 WeakPolarHBondContact OG1-CB 3.32Å; T120-L124 PolarHBondContact OG1-N 2.9Å; T120-L124 PolarHBondContact OG1-O 2.93Å; T120-L124 VanDerWaalsContact OG1-O 3.05Å; S122-L124 PolarHBondContact O-N 3.39Å
125P41.6Very low42.3Very low54 Ų5478 Ų7835%0.35145%0.452SS..BIsolated β-bridgetrans-74142.4174.731.3-33.9000111.6V39 E127 C128V39-P125 HydrophobicContact CG2-CG 4.23Å; P125-E127 HydrophobicContact CB-CG 3.67Å; P125-E127 WeakPolarHBondContact CB-OE1 3.08Å; P125-E127 HydrophobicContact CG-CG 4.08Å; P125-E127 PolarHBondContact O-N 3.43Å; P125-C128 PolarHBondContact O-N 3Å
126A40.1Very low42Very low1 Ų179.1 Ų79.11%0.00846%0.463CS..G310 helixtrans-27.8-30.4174.100000118.8F115 I118 C128 V129F115-A126 HydrophobicContact CB-CB 3.75Å; F115-A126 HydrophobicContact CD1-CB 4.44Å; F115-A126 WeakPolarHBondContact O-CB 3.27Å; I118-A126 HydrophobicContact CB-CB 3.28Å; I118-A126 HydrophobicContact CD1-CB 4.05Å; I118-A126 HydrophobicContact CG1-CB 3.82Å; I118-A126 HydrophobicContact CG2-CB 4.38Å; I118-A126 WeakPolarHBondContact O-CA 3.42Å; I118-A126 VanDerWaalsContact O-CB 3.26Å; I118-A126 WeakPolarHBondContact O-CB 3.34Å; I118-A126 PolarHBondContact O-N 3.36Å; A126-C128 PolarHBondContact O-N 3.2Å; A126-V129 PolarHBondContact O-N 3.5Å
127E42.1Very low42.3Very low27 Ų2775.4 Ų75.413%0.12645%0.453CS..G310 helixtrans-80.4-10.7-1610.8174.6-179.800111.5V39 F115 P125 V129V39-E127 WeakPolarHBondContact CA-OE2 3.4Å; V39-E127 WeakPolarHBondContact CB-OE2 2.93Å; V39-E127 WeakPolarHBondContact CG1-OE1 3.32Å; V39-E127 WeakPolarHBondContact CG1-OE2 3.45Å; V39-E127 WeakPolarHBondContact CG2-OE1 3.36Å; V39-E127 WeakPolarHBondContact CG2-OE2 3.23Å; F115-E127 HydrophobicContact CB-CB 3.8Å; F115-E127 HydrophobicContact CB-CG 3.98Å; F115-E127 HydrophobicContact CD2-CB 4.46Å; F115-E127 HydrophobicContact CG-CB 4.23Å; P125-E127 HydrophobicContact CB-CG 3.67Å; P125-E127 WeakPolarHBondContact CB-OE1 3.08Å; P125-E127 HydrophobicContact CG-CG 4.08Å; P125-E127 PolarHBondContact O-N 3.43Å; E127-V129 VanDerWaalsContact C-N 3.27Å; E127-V129 PolarHBondContact O-N 3.26Å
128C36.1Very low42.5Very low47 Ų4772.2 Ų72.232%0.31844%0.435SS..G310 helixtrans-78.7-3.4171.3-72.20000114.3P125 A126P125-C128 PolarHBondContact O-N 3Å; A126-C128 PolarHBondContact O-N 3.2Å
129V47.1Very low42.9Very low61 Ų6171.5 Ų71.537%0.3744%0.435SS..THydrogen-bonded Turntrans-109.4-41.9-165.7-1750000113.6T120 A126 E127 K132 C133T120-V129 HydrophobicContact CG2-CG2 4.29Å; A126-V129 PolarHBondContact O-N 3.5Å; E127-V129 VanDerWaalsContact C-N 3.27Å; E127-V129 PolarHBondContact O-N 3.26Å; V129-K132 PolarHBondContact O-N 2.94Å; V129-C133 WeakPolarHBondContact O-CB 3.4Å; V129-C133 PolarHBondContact O-N 3.47Å; V129-C133 PolarHBondContact O-SG 2.94Å; V129-C133 VanDerWaalsContact O-SG 3.41Å
130F47Very low43.3Very low100 Ų10066.8 Ų66.844%0.43942%0.418SS..Hα-helixtrans-81.2-37-166.1-85.5-90.2000115.6F115 I118 K132 C133 G134F115-F130 HydrophobicContact CD1-CB 4.43Å; F115-F130 AromaticContact CD1-CD2 3.88Å; F115-F130 HydrophobicContact CD1-CD2 3.88Å; F115-F130 HydrophobicContact CD1-CG 4.4Å; F115-F130 HydrophobicContact CE1-CB 3.39Å; F115-F130 HydrophobicContact CE1-CD1 4.35Å; F115-F130 AromaticContact CE1-CD2 3.3Å; F115-F130 HydrophobicContact CE1-CD2 3.3Å; F115-F130 HydrophobicContact CE1-CE2 4.14Å; F115-F130 AromaticContact CE1-CG 3.41Å; F115-F130 HydrophobicContact CE1-CG 3.41Å; F115-F130 VanDerWaalsContact CE1-CG 3.41Å; F115-F130 HydrophobicContact CZ-CB 3.44Å; F115-F130 VanDerWaalsContact CZ-CB 3.44Å; F115-F130 HydrophobicContact CZ-CD2 4.26Å; F115-F130 AromaticContact CZ-CG 3.95Å; F115-F130 HydrophobicContact CZ-CG 3.95Å; I118-F130 HydrophobicContact CD1-CE2 4.15Å; F130-K132 PolarHBondContact O-N 3.05Å; F130-C133 PolarHBondContact O-N 3.14Å; F130-G134 PolarHBondContact O-N 3.14Å
131C41.2Very low43.7Very low84 Ų8471.9 Ų71.957%0.56844%0.444SS*.Hα-helixtrans-72.8-14.3172.7-155.20000112.6
132K43.7Very low43.7Very low82 Ų8272.5 Ų72.536%0.35743%0.433SS..Hα-helixtrans-92.8-26.4-179.3-127.3-84.6-122.357.50112.1C6 V129 F130C6-K132 HydrophobicContact CB-CD 4.25Å; C6-K132 HydrophobicContact CB-CG 4.34Å; C6-K132 VanDerWaalsContact CB-NZ 3.27Å; C6-K132 WeakPolarHBondContact O-CE 3.3Å; C6-K132 PolarHBondContact O-NZ 3.43Å; C6-K132 WeakPolarHBondContact SG-CE 3.34Å; V129-K132 PolarHBondContact O-N 2.94Å; F130-K132 PolarHBondContact O-N 3.05Å
133C41.1Very low44.2Very low57 Ų5772.7 Ų72.739%0.38544%0.435SS..Hα-helixtrans-86.8-14.1172.5-75.60000113.8V129 F130 L135 S136 A137V129-C133 WeakPolarHBondContact O-CB 3.4Å; V129-C133 PolarHBondContact O-N 3.47Å; V129-C133 PolarHBondContact O-SG 2.94Å; V129-C133 VanDerWaalsContact O-SG 3.41Å; F130-C133 PolarHBondContact O-N 3.14Å; C133-L135 PolarHBondContact O-N 2.01Å; C133-S136 CarbonylContact O-C 3.53Å; C133-S136 WeakPolarHBondContact O-CA 3.28Å; C133-S136 PolarHBondContact O-N 3.46Å; C133-A137 PolarHBondContact O-N 3.27Å
134G42.6Very low44.2Very low34 Ų3472.9 Ų72.935%0.35142%0.422SS..Hα-helixtrans-58.6-37.8171.500000112.3F130 A137 I138F130-G134 PolarHBondContact O-N 3.14Å; G134-A137 PolarHBondContact O-N 3.42Å; G134-I138 WeakPolarHBondContact O-CB 3.31Å; G134-I138 WeakPolarHBondContact O-CD1 2.84Å; G134-I138 VanDerWaalsContact O-CG1 3.23Å; G134-I138 WeakPolarHBondContact O-CG1 3.31Å; G134-I138 PolarHBondContact O-N 2.95Å
135L45.5Very low44.2Very low121 Ų12175.1 Ų75.163%0.63444%0.435SS*.Hα-helixtrans-76.4-23.4173.5-123.782.4000113.2C133 V139C133-L135 PolarHBondContact O-N 2.01Å; L135-V139 WeakPolarHBondContact O-CB 3.29Å; L135-V139 WeakPolarHBondContact O-CG2 3.18Å; L135-V139 PolarHBondContact O-N 3Å
136S45.4Very low44.3Very low50 Ų5077 Ų7735%0.3545%0.446SS..Hα-helixtrans-74.9-40.5169.4121.90000110.1C133 I138 V139 D140C133-S136 CarbonylContact O-C 3.53Å; C133-S136 WeakPolarHBondContact O-CA 3.28Å; C133-S136 PolarHBondContact O-N 3.46Å; S136-I138 PolarHBondContact O-N 3.1Å; S136-V139 CarbonylContact O-C 3.51Å; S136-V139 PolarHBondContact O-N 3.44Å; S136-D140 WeakPolarHBondContact O-CA 3.12Å; S136-D140 WeakPolarHBondContact O-CB 3.34Å; S136-D140 PolarHBondContact O-N 3.2Å; S136-D140 PolarHBondContact OG-OD2 3.33Å
137A44.8Very low44.3Very low47 Ų4780.4 Ų80.439%0.38847%0.473SS..Hα-helixtrans-60.5-35.6171.800000111.3C133 G134 L141C133-A137 PolarHBondContact O-N 3.27Å; G134-A137 PolarHBondContact O-N 3.42Å; A137-L141 WeakPolarHBondContact O-CB 3.2Å; A137-L141 WeakPolarHBondContact O-CD1 3.08Å; A137-L141 PolarHBondContact O-N 3.35Å
138I48.1Very low44.3Very low83 Ų8385.2 Ų85.243%0.42650%0.5SS..Hα-helixtrans-75.5-40.8175.3-68.6167.9000111.9G134 S136 D140 L141 M142G134-I138 WeakPolarHBondContact O-CB 3.31Å; G134-I138 WeakPolarHBondContact O-CD1 2.84Å; G134-I138 VanDerWaalsContact O-CG1 3.23Å; G134-I138 WeakPolarHBondContact O-CG1 3.31Å; G134-I138 PolarHBondContact O-N 2.95Å; S136-I138 PolarHBondContact O-N 3.1Å; I138-D140 VanDerWaalsContact C-N 3.34Å; I138-L141 PolarHBondContact O-N 2.96Å; I138-M142 HydrophobicContact CG2-CE 3.34Å; I138-M142 HydrophobicContact CG2-SD 3.72Å; I138-M142 WeakPolarHBondContact O-CB 3.48Å; I138-M142 WeakPolarHBondContact O-CG 2.9Å; I138-M142 PolarHBondContact O-N 3.45Å
139V49.8Very low44.6Very low71 Ų7186.2 Ų86.243%0.4351%0.507SS..Hα-helixtrans-72.4-27.1174.6170.60000111.5L135 S136 M142 S143L135-V139 WeakPolarHBondContact O-CB 3.29Å; L135-V139 WeakPolarHBondContact O-CG2 3.18Å; L135-V139 PolarHBondContact O-N 3Å; S136-V139 CarbonylContact O-C 3.51Å; S136-V139 PolarHBondContact O-N 3.44Å; V139-M142 CarbonylContact O-C 3.51Å; V139-M142 PolarHBondContact O-N 3.16Å; V139-S143 WeakPolarHBondContact O-CA 2.97Å; V139-S143 WeakPolarHBondContact O-CB 3.08Å; V139-S143 PolarHBondContact O-N 3.08Å; V139-S143 PolarHBondContact O-OG 2.88Å
140D47.3Very low44.3Very low87 Ų8787.1 Ų87.147%0.46552%0.521SS..Hα-helixtrans-81.7-35.7174.4-65.2-35.7000109.7S136 I138 M142 T144S136-D140 WeakPolarHBondContact O-CA 3.12Å; S136-D140 WeakPolarHBondContact O-CB 3.34Å; S136-D140 PolarHBondContact O-N 3.2Å; S136-D140 PolarHBondContact OG-OD2 3.33Å; I138-D140 VanDerWaalsContact C-N 3.34Å; D140-M142 VanDerWaalsContact C-N 3.26Å; D140-M142 PolarHBondContact O-N 3.33Å; D140-T144 VanDerWaalsContact O-CB 3.23Å; D140-T144 WeakPolarHBondContact O-CB 3.03Å; D140-T144 WeakPolarHBondContact O-CG2 3.48Å; D140-T144 PolarHBondContact O-N 3.07Å; D140-T144 PolarHBondContact O-OG1 3.48Å
141L45.7Very low44.1Very low137 Ų13789 Ų8972%0.71753%0.534SS*.Hα-helixtrans-66.7-26.8166.1-101.798.6000112.5A137 I138A137-L141 WeakPolarHBondContact O-CB 3.2Å; A137-L141 WeakPolarHBondContact O-CD1 3.08Å; A137-L141 PolarHBondContact O-N 3.35Å; I138-L141 PolarHBondContact O-N 2.96Å
142M42.5Very low44.1Very low151 Ų15193.1 Ų93.174%0.74455%0.545SS*.Hα-helixtrans-96.1-16.5178.6-68.6172.6-173.200113.7I138 V139 D140I138-M142 HydrophobicContact CG2-CE 3.34Å; I138-M142 HydrophobicContact CG2-SD 3.72Å; I138-M142 WeakPolarHBondContact O-CB 3.48Å; I138-M142 WeakPolarHBondContact O-CG 2.9Å; I138-M142 PolarHBondContact O-N 3.45Å; V139-M142 CarbonylContact O-C 3.51Å; V139-M142 PolarHBondContact O-N 3.16Å; D140-M142 VanDerWaalsContact C-N 3.26Å; D140-M142 PolarHBondContact O-N 3.33Å
143S50.1Low43.9Very low83 Ų8395 Ų9558%0.5856%0.563SS**Hα-helixtrans-109.1-6.9178.6-52.80000113V139 D145V139-S143 WeakPolarHBondContact O-CA 2.97Å; V139-S143 WeakPolarHBondContact O-CB 3.08Å; V139-S143 PolarHBondContact O-N 3.08Å; V139-S143 PolarHBondContact O-OG 2.88Å; S143-D145 PolarHBondContact O-N 3.23Å
144T42.7Very low43.7Very low71 Ų71100.2 Ų100.244%0.43659%0.587SS.*  trans-77.8103.8163.848.50000108.6D140 T146D140-T144 VanDerWaalsContact O-CB 3.23Å; D140-T144 WeakPolarHBondContact O-CB 3.03Å; D140-T144 WeakPolarHBondContact O-CG2 3.48Å; D140-T144 PolarHBondContact O-N 3.07Å; D140-T144 PolarHBondContact O-OG1 3.48Å; T144-T146 VanDerWaalsContact CB-OG1 3.27Å; T144-T146 WeakPolarHBondContact CB-OG1 3.42Å; T144-T146 PolarHBondContact O-N 2.66Å; T144-T146 PolarHBondContact OG1-OG1 3.18Å
145D44.5Very low43.5Very low130 Ų130108.8 Ų108.870%0.69563%0.632SS**THydrogen-bonded Turntrans-53.417.3162-105.4-38.7000113.9S143 S149S143-D145 PolarHBondContact O-N 3.23Å; D145-S149 PolarHBondContact O-N 2.96Å; D145-S149 PolarHBondContact O-OG 3.33Å
146T43.8Very low43.4Very low94 Ų94108.2 Ų108.258%0.57763%0.632SS**THydrogen-bonded Turntrans-93.1-13.7-178.9530000113.9T144 S149T144-T146 VanDerWaalsContact CB-OG1 3.27Å; T144-T146 WeakPolarHBondContact CB-OG1 3.42Å; T144-T146 PolarHBondContact O-N 2.66Å; T144-T146 PolarHBondContact OG1-OG1 3.18Å; T146-S149 WeakPolarHBondContact CA-OG 3.39Å
147A39.5Very low43.3Very low71 Ų71111.3 Ų111.359%0.58765%0.647SS**THydrogen-bonded Turntrans-84-20.2169.900000113
148L41.9Very low43.2Very low129 Ų129114.8 Ų114.868%0.67566%0.661SS**THydrogen-bonded Turntrans-94.8-25.5178.9-147.170.3000112.9
149S42Very low42.9Very low68 Ų68116.7 Ų116.748%0.47668%0.675SS.*THydrogen-bonded Turntrans-82.8-11.1176.748.60000114.7D145 T146D145-S149 PolarHBondContact O-N 2.96Å; D145-S149 PolarHBondContact O-OG 3.33Å; T146-S149 WeakPolarHBondContact CA-OG 3.39Å
150A40.4Very low42.5Very low80 Ų80119.6 Ų119.666%0.66169%0.691SS**THydrogen-bonded Turntrans-88-3.117400000113.9
151I44.1Very low42.1Very low138 Ų138121.7 Ų121.771%0.70871%0.706SS**SBendtrans-102.5-6.7178.7-64.6175000111.7
152E41.6Very low41.9Very low171 Ų171120.6 Ų120.680%0.79971%0.705SS**SBendtrans-9616177.7-68.1-168149.100115
153V39.7Very low41.8Very low122 Ų122118.3 Ų118.374%0.73970%0.702SS**SBendtrans-129.266.3173.6-1680000110.1
154N35.1Very low41.1Very low166 Ų166121.3 Ų121.389%0.88871%0.712SS**  trans-168.432.9155.5-113.410.6000113.7
155V38.5Very low41Very low215 Ų215125.8 Ų125.8100%1.30374%0.737SS**  trans-116.80160.8-179.90000108.5

Retrieved 155 of 155 residues in 188.1 ms (Link to these results)