A0A077YWN5_TRITR Loading...

Oxoacyl acyl carrier protein reductase oxoacyl ( acyl carrier protein) reductase

AlphaFold DB , UniProt , Accession A0A077YWN5, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 245 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
1M34Very low41.7Very low241 Ų241112.9 Ų112.9100%1.18756%0.558SS**  060.70-128.617888.500109.5
2Q33.9Very low41.3Very low193 Ų193107.6 Ų107.690%0.90254%0.537SS*.  trans-175.997.8-177.7-113.2158.7-26.900109.5
3S41.6Very low41.6Very low51 Ų51101.8 Ų101.836%0.35751%0.51SS..  trans-168.5-17.7157.883.40000114.7K5 E196S3-K5 PolarHBondContact O-N 2.7Å; S3-E196 VanDerWaalsContact CB-CD 3.48Å; S3-E196 WeakPolarHBondContact CB-OE1 3.47Å; S3-E196 WeakPolarHBondContact CB-OE2 3.04Å; S3-E196 PolarHBondContact OG-OE1 3.27Å; S3-E196 PolarHBondContact OG-OE2 3.02Å
4L41.9Very low40.8Very low164 Ų16498.8 Ų98.886%0.85951%0.509SS*.THydrogen-bonded Turntrans-72.417.3-173-81.5160.5000117.1
5K39.8Very low39.9Very low170 Ų17099.8 Ų99.874%0.73952%0.522SS*.THydrogen-bonded Turntrans-90.6-5.7-167.4-73.8-168.9178.9-177.30116.8S3 K153S3-K5 PolarHBondContact O-N 2.7Å; K5-K153 WeakPolarHBondContact O-CE 3.47Å
6E47.3Very low39.1Very low122 Ų122106 Ų10657%0.5754%0.544SS*.  trans-125.832.4-164.2-61.1-178.4164.600115.6V8E6-V8 PolarHBondContact O-N 3.09Å
7K43.1Very low38Very low146 Ų146113.8 Ų113.864%0.63557%0.565SS**  trans-81.5107.4-175.2-164.7175.8-179.6-178.30112.7
8V46.4Very low37.5Very low13 Ų13111.2 Ų111.28%0.07955%0.55CS.*  trans-89.8135.6159.5176.80000108.5E6 I10 I150 G154 L192E6-V8 PolarHBondContact O-N 3.09Å; V8-I10 HydrophobicContact CG1-CG1 4.35Å; V8-I150 HydrophobicContact CG2-CG1 4.09Å; V8-G154 WeakPolarHBondContact CA-O 3.22Å; V8-G154 WeakPolarHBondContact CG1-O 3.43Å; V8-L192 HydrophobicContact CB-CD1 4.41Å; V8-L192 HydrophobicContact CG1-CD1 4.13Å
9S41.5Very low36.7Very low46 Ų46113.4 Ų113.432%0.32256%0.564SS.*EExtended strand (participates in β ladder)trans-95.9138.3176.9-60.60000110.9G154 T155 I156S9-G154 PolarHBondContact N-O 3.3Å; S9-T155 CarbonylContact O-C 3.56Å; S9-T155 WeakPolarHBondContact O-CA 3.27Å; S9-T155 WeakPolarHBondContact O-CG2 3.13Å; S9-I156 PolarHBondContact O-N 3.33Å
10I45.3Very low36.3Very low32 Ų32110.1 Ų110.116%0.16455%0.552CS.*EExtended strand (participates in β ladder)trans-130.3126.8-176.5-48.9-167.8000109V8 I156 T185 L188 A189 L192V8-I10 HydrophobicContact CG1-CG1 4.35Å; I10-I156 WeakPolarHBondContact CA-O 3.46Å; I10-I156 HydrophobicContact CG2-CB 4.43Å; I10-T185 HydrophobicContact CG2-CG2 3.45Å; I10-T185 VanDerWaalsContact CG2-CG2 3.45Å; I10-L188 VanDerWaalsContact CD1-C 3.47Å; I10-L188 HydrophobicContact CD1-CB 4.06Å; I10-L188 HydrophobicContact CD1-CD2 3.71Å; I10-L188 HydrophobicContact CD1-CG 3.49Å; I10-L188 VanDerWaalsContact CD1-CG 3.49Å; I10-L188 WeakPolarHBondContact CD1-O 3.24Å; I10-L188 HydrophobicContact CG2-CD2 4.15Å; I10-A189 HydrophobicContact CB-CB 4.12Å; I10-A189 HydrophobicContact CD1-CB 4.2Å; I10-A189 HydrophobicContact CG1-CB 4.48Å; I10-L192 HydrophobicContact CD1-CB 4.28Å; I10-L192 HydrophobicContact CD1-CD1 3.82Å; I10-L192 HydrophobicContact CD1-CG 4.37Å
11I44Very low35.8Very low64 Ų64112.6 Ų112.633%0.32856%0.562SS.*EExtended strand (participates in β ladder)trans-136.7128.3-171-53.4175.5000109.7V13 F18 T155 I156 V157 N158I11-V13 HydrophobicContact CG2-CG2 3.89Å; I11-F18 HydrophobicContact CD1-CZ 4.13Å; I11-T155 HydrophobicContact CD1-CG2 4.13Å; I11-T155 HydrophobicContact CG1-CG2 4.47Å; I11-I156 PolarHBondContact N-O 3Å; I11-V157 CarbonylContact O-C 3.44Å; I11-V157 VanDerWaalsContact O-CA 3.28Å; I11-V157 WeakPolarHBondContact O-CA 3.02Å; I11-N158 PolarHBondContact O-N 3.18Å
12T37.2Very low35.6Very low49 Ų49109.6 Ų109.630%0.30154%0.542SS..EExtended strand (participates in β ladder)trans-92.4130.4160.7-66.30000109N158 T185T12-N158 WeakPolarHBondContact CA-O 3.21Å; T12-T185 VanDerWaalsContact OG1-CB 3.32Å; T12-T185 WeakPolarHBondContact OG1-CB 3.32Å; T12-T185 VanDerWaalsContact OG1-CG2 3.24Å; T12-T185 WeakPolarHBondContact OG1-CG2 3.4Å; T12-T185 PolarHBondContact OG1-OG1 2.82Å
13V44.5Very low35.9Very low32 Ų32101.1 Ų101.119%0.19450%0.504CS..EExtended strand (participates in β ladder)trans-111.2115.5175.1-177.10000109.2I11 V157 N158 S160I11-V13 HydrophobicContact CG2-CG2 3.89Å; V13-V157 HydrophobicContact CB-CG1 4.44Å; V13-V157 HydrophobicContact CG2-CG1 3.66Å; V13-N158 PolarHBondContact N-O 3.07Å; V13-S160 PolarHBondContact O-N 2.72Å
14A31.4Very low36.5Very low60 Ų60102.6 Ų102.650%0.49651%0.508SS..SBendtrans-87.1-34.4165.600000111.4
15T26.2Very low37.2Very low114 Ų11494.8 Ų94.870%0.69947%0.467SS*.SBendtrans-175.4117.6172.439.70000108.4
16F26.9Very low38.1Very low199 Ų19986.7 Ų86.787%0.87343%0.432SS*.  trans-169.5157.3162.3-113.2-78.9000114.8
17R21.7Very low38.7Very low238 Ų23881 Ų8190%0.89841%0.405SS*.  trans-75.6131.7172.2-93.4177.7170.9177.3-2.9111.2
18F28.3Very low39.6Very low68 Ų6874 Ų7430%0.29837%0.374SS..  trans-90.5140.9168.2-102-91.4000110.9I11 C20 V157I11-F18 HydrophobicContact CD1-CZ 4.13Å; F18-C20 HydrophobicContact CD1-CB 4.49Å; F18-V157 HydrophobicContact CZ-CG2 4.4Å
19N22.8Very low40.5Very low152 Ų15273.5 Ų73.581%0.81337%0.371SS*.  trans-124.781.5167.6-149.222.6000107
20C28.4Very low41.5Very low47 Ų4772.2 Ų72.232%0.31837%0.366SS..  trans-115.1111.2177.3-92.60000109.7F18 V23F18-C20 HydrophobicContact CD1-CB 4.49Å; C20-V23 HydrophobicContact CB-CG2 3.71Å
21Q24.9Very low41.9Very low163 Ų16370.7 Ų70.776%0.76236%0.358SS*.SBendtrans-78125.1164.3-69.7179.7-23.900108.2
22F30.3Very low42.3Very low179 Ų17968.7 Ų68.779%0.78535%0.35SS*.  trans66.379.5174.6-51.5-79.7000116.6
23V39.8Very low43.9Very low15 Ų1569.6 Ų69.69%0.09136%0.358CS..  trans-101.7126.8168.7-177.50000110.4C20 F43 A48 I106C20-V23 HydrophobicContact CB-CG2 3.71Å; V23-F43 HydrophobicContact CB-CD1 4.23Å; V23-F43 HydrophobicContact CB-CE1 4.12Å; V23-F43 HydrophobicContact CG1-CD1 4.23Å; V23-F43 HydrophobicContact CG1-CE1 3.95Å; V23-F43 HydrophobicContact CG2-CD1 4.42Å; V23-F43 HydrophobicContact CG2-CE1 3.95Å; V23-A48 HydrophobicContact CB-CB 4.39Å; V23-A48 VanDerWaalsContact O-CA 3.3Å; V23-A48 WeakPolarHBondContact O-CA 3.38Å; V23-A48 WeakPolarHBondContact O-CB 3.5Å; V23-I106 HydrophobicContact CB-CD1 4.32Å; V23-I106 HydrophobicContact CG1-CD1 3.33Å; V23-I106 HydrophobicContact CG1-CG1 3.78Å; V23-I106 HydrophobicContact CG2-CD1 4.02Å
24N55.6Low45.4Very low82 Ų8270.8 Ų70.844%0.43938%0.377SS..  trans-100-12.6-167.8-72.3-48.8000115.8F49 D105N24-F49 WeakPolarHBondContact O-CB 3.46Å; N24-F49 WeakPolarHBondContact O-CD2 3.38Å; N24-D105 WeakPolarHBondContact CB-OD2 3.5Å
25L56.3Low47.5Very low0 Ų073 Ų730%038%0.379CS..  trans-166.7127.4162.4-176.465.6000112F49 T97 F101 K103 L104 D105 I106L25-F49 CarbonylContact C-O 3.58Å; L25-F49 WeakPolarHBondContact CA-O 3.18Å; L25-F49 HydrophobicContact CB-CB 4.45Å; L25-F49 HydrophobicContact CD1-CB 3.52Å; L25-F49 WeakPolarHBondContact CD1-O 3.12Å; L25-T97 HydrophobicContact CD2-CG2 3.93Å; L25-F101 HydrophobicContact CD1-CB 3.92Å; L25-F101 HydrophobicContact CD1-CD1 4.36Å; L25-F101 HydrophobicContact CD1-CD2 3.2Å; L25-F101 HydrophobicContact CD1-CE2 3.65Å; L25-F101 HydrophobicContact CD1-CG 3.59Å; L25-F101 HydrophobicContact CD1-CZ 4.4Å; L25-F101 HydrophobicContact CD2-CB 3.66Å; L25-F101 HydrophobicContact CD2-CD2 3.94Å; L25-F101 HydrophobicContact CD2-CG 4.17Å; L25-F101 HydrophobicContact CG-CB 4.39Å; L25-F101 HydrophobicContact CG-CD2 4.26Å; L25-K103 WeakPolarHBondContact CD2-O 3.42Å; L25-L104 HydrophobicContact CD2-CD1 4.39Å; L25-D105 PolarHBondContact N-OD2 3.11Å; L25-D105 VanDerWaalsContact N-OD2 3.09Å; L25-I106 PolarHBondContact O-N 3.25Å
26T57.8Low49.7Very low0 Ų067.6 Ų67.60%035%0.346CS..EExtended strand (participates in β ladder)trans-120120.6176.2-49.70000110.7L28 F43 F49 S51 I106 I108T26-L28 HydrophobicContact CG2-CD1 3.43Å; T26-L28 VanDerWaalsContact CG2-CD1 3.43Å; T26-L28 HydrophobicContact CG2-CG 3.93Å; T26-F43 HydrophobicContact CG2-CD1 4.34Å; T26-F43 HydrophobicContact CG2-CE1 4.24Å; T26-F43 WeakPolarHBondContact OG1-CD1 3.26Å; T26-F43 WeakPolarHBondContact OG1-CE1 3.18Å; T26-F49 PolarHBondContact N-O 3.41Å; T26-S51 PolarHBondContact O-N 3.12Å; T26-I106 WeakPolarHBondContact CA-O 3.43Å; T26-I106 HydrophobicContact CG2-CB 4.19Å; T26-I106 HydrophobicContact CG2-CG2 4.08Å; T26-I108 HydrophobicContact CG2-CD1 3.38Å; T26-I108 HydrophobicContact CG2-CG1 3.7Å
27T61.1Low52.3Low1 Ų161 Ų611%0.00632%0.316CS..EExtended strand (participates in β ladder)trans-94.4119.4167.7-59.10000109.1S51 W53 L104 I106 L107 I108T27-S51 WeakPolarHBondContact CA-O 3.39Å; T27-W53 HydrophobicContact CG2-CD2 4.14Å; T27-W53 HydrophobicContact CG2-CG 4.48Å; T27-W53 HydrophobicContact CG2-CH2 4.48Å; T27-W53 HydrophobicContact CG2-CZ2 3.82Å; T27-L104 WeakPolarHBondContact OG1-CD1 3.43Å; T27-I106 PolarHBondContact N-O 2.92Å; T27-L107 HydrophobicContact CG2-CD1 4.48Å; T27-I108 PolarHBondContact O-N 3.15Å
28L62.2Low54.9Low0 Ų052.5 Ų52.50%030%0.296CS..EExtended strand (participates in β ladder)trans-113116179.5-67.397.1000110.2T26 A31 G36 T39 A40 L50 S51 L52 W53 I108T26-L28 HydrophobicContact CG2-CD1 3.43Å; T26-L28 VanDerWaalsContact CG2-CD1 3.43Å; T26-L28 HydrophobicContact CG2-CG 3.93Å; L28-A31 HydrophobicContact CB-CB 4.04Å; L28-G36 WeakPolarHBondContact CD2-O 3.45Å; L28-T39 HydrophobicContact CD2-CG2 3.6Å; L28-A40 HydrophobicContact CD2-CB 4.31Å; L28-L50 HydrophobicContact CD1-CD2 4.02Å; L28-S51 PolarHBondContact N-O 3.19Å; L28-L52 HydrophobicContact CB-CD2 4.45Å; L28-L52 HydrophobicContact CD1-CD2 3.99Å; L28-W53 PolarHBondContact O-N 3.05Å; L28-I108 HydrophobicContact CD2-CD1 4.21Å; L28-I108 HydrophobicContact CG-CB 4.23Å; L28-I108 HydrophobicContact CG-CD1 4.16Å
29T65.2Low57Low2 Ų250.9 Ų50.91%0.01229%0.292CS..EExtended strand (participates in β ladder)trans-83143.2166.8650000110.6A31 W53 V84 I108 N109 S110 A111 L141T29-A31 VanDerWaalsContact C-N 3.3Å; T29-A31 PolarHBondContact O-N 2.87Å; T29-W53 HydrophobicContact CG2-CE3 4.24Å; T29-V84 HydrophobicContact CG2-CG1 4.02Å; T29-I108 PolarHBondContact N-O 2.75Å; T29-I108 VanDerWaalsContact N-O 3.1Å; T29-I108 PolarHBondContact OG1-O 2.92Å; T29-N109 WeakPolarHBondContact OG1-CA 3.37Å; T29-S110 VanDerWaalsContact O-CB 3.27Å; T29-S110 WeakPolarHBondContact O-CB 3.43Å; T29-S110 PolarHBondContact OG1-N 3.08Å; T29-S110 VanDerWaalsContact OG1-N 3.08Å; T29-A111 PolarHBondContact O-N 3.44Å; T29-A111 PolarHBondContact OG1-N 2.9Å; T29-L141 HydrophobicContact CG2-CD2 3.34Å
30G60.8Low59.8Low20 Ų2043.6 Ų43.621%0.20625%0.253CS..THydrogen-bonded Turntrans7127-176.300000113.1S32 W53G30-S32 PolarHBondContact O-N 3.47Å; G30-W53 PolarHBondContact N-O 2.97Å
31A55.2Low62.3Low0 Ų043.8 Ų43.80%025%0.249CC..THydrogen-bonded Turntrans-69-10.9-178.300000113.8L28 T29 S33 R37 L52 W53 L60 T63L28-A31 HydrophobicContact CB-CB 4.04Å; T29-A31 VanDerWaalsContact C-N 3.3Å; T29-A31 PolarHBondContact O-N 2.87Å; A31-S33 VanDerWaalsContact C-N 3.27Å; A31-S33 PolarHBondContact O-N 3.15Å; A31-R37 WeakPolarHBondContact O-CA 3.42Å; A31-L52 HydrophobicContact CB-CB 3.78Å; A31-L52 HydrophobicContact CB-CD2 3.9Å; A31-L52 HydrophobicContact CB-CG 4.36Å; A31-W53 PolarHBondContact N-O 2.89Å; A31-L60 HydrophobicContact CB-CD2 4.11Å; A31-T63 PolarHBondContact O-OG1 3.23Å
32S51.3Low64.7Low22 Ų2240 Ų4015%0.15423%0.231CC..THydrogen-bonded Turntrans-64.4-25.1-178.152.10000113.7G30 R37 S59G30-S32 PolarHBondContact O-N 3.47Å; S32-R37 VanDerWaalsContact O-CZ 3.28Å; S32-R37 PolarHBondContact O-NE 3.21Å; S32-R37 VanDerWaalsContact O-NE 3.09Å; S32-R37 PolarHBondContact O-NH2 3.36Å; S32-S59 WeakPolarHBondContact O-CB 3.43Å
33S71Confident66.9Low67 Ų6732 Ų3247%0.46920%0.196SC..SBendtrans-159177.8-175.562.60000113.3A31 I35 G36 R37A31-S33 VanDerWaalsContact C-N 3.27Å; A31-S33 PolarHBondContact O-N 3.15Å; S33-I35 PolarHBondContact O-N 3.06Å; S33-G36 PolarHBondContact O-N 2.86Å; S33-R37 PolarHBondContact O-N 2.86Å; S33-R37 VanDerWaalsContact O-N 3.09Å
34G77.1Confident69Low58 Ų5831.3 Ų31.360%0.59819%0.192SC*.Hα-helixtrans54.6-133.5169.400000114.4G36 R37 A38G34-G36 PolarHBondContact O-N 3.19Å; G34-R37 PolarHBondContact O-N 3.16Å; G34-A38 PolarHBondContact O-N 2.99Å; G34-A38 VanDerWaalsContact O-N 3.13Å
35I73.7Confident69.9Low105 Ų10530.3 Ų30.354%0.53820%0.195SC..Hα-helixtrans-59.3-46.2-179.7-62.2172.6000110.3S33 R37 A38 T39 V159S33-I35 PolarHBondContact O-N 3.06Å; I35-R37 PolarHBondContact O-N 3.26Å; I35-A38 PolarHBondContact O-N 3.07Å; I35-T39 WeakPolarHBondContact O-CB 3.44Å; I35-T39 PolarHBondContact O-N 3.35Å; I35-T39 PolarHBondContact O-OG1 2.83Å; I35-V159 HydrophobicContact CD1-CG1 4Å
36G72.7Confident71Confident1 Ų134.5 Ų34.51%0.0121%0.213CC..Hα-helixtrans-58.2-45.6-17900000113.2L28 S33 G34 T39 A40L28-G36 WeakPolarHBondContact CD2-O 3.45Å; S33-G36 PolarHBondContact O-N 2.86Å; G34-G36 PolarHBondContact O-N 3.19Å; G36-T39 PolarHBondContact O-N 3.4Å; G36-A40 WeakPolarHBondContact O-CB 3.36Å; G36-A40 PolarHBondContact O-N 2.83Å
37R82.3Confident72.2Confident62 Ų6235.8 Ų35.823%0.23423%0.227CC..Hα-helixtrans-63.6-43.7176.5-177.9-172.2-66-174.7-0.6112.2A31 S32 S33 G34 I35 A40 Q41 T63 M66A31-R37 WeakPolarHBondContact O-CA 3.42Å; S32-R37 VanDerWaalsContact O-CZ 3.28Å; S32-R37 PolarHBondContact O-NE 3.21Å; S32-R37 VanDerWaalsContact O-NE 3.09Å; S32-R37 PolarHBondContact O-NH2 3.36Å; S33-R37 PolarHBondContact O-N 2.86Å; S33-R37 VanDerWaalsContact O-N 3.09Å; G34-R37 PolarHBondContact O-N 3.16Å; I35-R37 PolarHBondContact O-N 3.26Å; R37-A40 PolarHBondContact O-N 3.42Å; R37-Q41 PolarHBondContact O-N 3.29Å; R37-Q41 VanDerWaalsContact O-N 3.11Å; R37-T63 HydrophobicContact CB-CG2 4.32Å; R37-T63 HydrophobicContact CG-CG2 3.83Å; R37-T63 PolarHBondContact NE-OG1 2.86Å; R37-M66 HydrophobicContact CG-SD 4.38Å
38A75.9Confident72.9Confident59 Ų5935.7 Ų35.749%0.48823%0.226SC..Hα-helixtrans-65.4-41.1178.700000111.5G34 I35 Q41 H42G34-A38 PolarHBondContact O-N 2.99Å; G34-A38 VanDerWaalsContact O-N 3.13Å; I35-A38 PolarHBondContact O-N 3.07Å; A38-Q41 PolarHBondContact O-N 2.97Å; A38-H42 WeakPolarHBondContact O-CB 3.38Å; A38-H42 PolarHBondContact O-N 2.79Å
39T73.6Confident74.2Confident33 Ų3338.9 Ų38.920%0.20224%0.24CC..Hα-helixtrans-61.7-45.8173.6-54.60000110.8L28 I35 G36 Q41 H42 F43 I108L28-T39 HydrophobicContact CD2-CG2 3.6Å; I35-T39 WeakPolarHBondContact O-CB 3.44Å; I35-T39 PolarHBondContact O-N 3.35Å; I35-T39 PolarHBondContact O-OG1 2.83Å; G36-T39 PolarHBondContact O-N 3.4Å; T39-Q41 PolarHBondContact O-N 3.01Å; T39-H42 PolarHBondContact O-N 3.13Å; T39-H42 VanDerWaalsContact O-N 3.13Å; T39-F43 HydrophobicContact CG2-CD2 3.63Å; T39-F43 HydrophobicContact CG2-CE2 3.52Å; T39-F43 VanDerWaalsContact O-CD2 3.28Å; T39-F43 WeakPolarHBondContact O-CD2 3.09Å; T39-F43 PolarHBondContact O-N 3.18Å; T39-I108 HydrophobicContact CG2-CD1 3.69Å
40A79.9Confident75.3Confident0 Ų038.8 Ų38.80%024%0.24CC..Hα-helixtrans-56.2-48.8177.400000112.2L28 G36 R37 H42 F43 A44 L50 L52 T63L28-A40 HydrophobicContact CD2-CB 4.31Å; G36-A40 WeakPolarHBondContact O-CB 3.36Å; G36-A40 PolarHBondContact O-N 2.83Å; R37-A40 PolarHBondContact O-N 3.42Å; A40-H42 VanDerWaalsContact C-N 3.32Å; A40-H42 PolarHBondContact O-N 3.17Å; A40-F43 PolarHBondContact O-N 3.39Å; A40-A44 WeakPolarHBondContact O-CB 2.91Å; A40-A44 PolarHBondContact O-N 2.79Å; A40-L50 HydrophobicContact CB-CD1 4.5Å; A40-L50 WeakPolarHBondContact O-CD1 3.45Å; A40-L52 HydrophobicContact CB-CD2 3.66Å; A40-T63 HydrophobicContact CB-CG2 3.81Å
41Q82.7Confident76.9Confident51 Ų5137.9 Ų37.924%0.23823%0.23CC..Hα-helixtrans-61.9-38.3176.8-72.4177.170.300112.9R37 A38 T39 A44 A45 M66R37-Q41 PolarHBondContact O-N 3.29Å; R37-Q41 VanDerWaalsContact O-N 3.11Å; A38-Q41 PolarHBondContact O-N 2.97Å; T39-Q41 PolarHBondContact O-N 3.01Å; Q41-A44 WeakPolarHBondContact O-CB 3.33Å; Q41-A44 PolarHBondContact O-N 3.24Å; Q41-A45 PolarHBondContact O-N 3.26Å; Q41-M66 HydrophobicContact CG-CB 3.85Å
42H74.8Confident78.7Confident82 Ų8237.9 Ų37.938%0.3823%0.23SC..Hα-helixtrans-65.3-46.2178.4-171.166.8000111.5A38 T39 A40 A44 A45 F46A38-H42 WeakPolarHBondContact O-CB 3.38Å; A38-H42 PolarHBondContact O-N 2.79Å; T39-H42 PolarHBondContact O-N 3.13Å; T39-H42 VanDerWaalsContact O-N 3.13Å; A40-H42 VanDerWaalsContact C-N 3.32Å; A40-H42 PolarHBondContact O-N 3.17Å; H42-A44 VanDerWaalsContact C-N 3.31Å; H42-A44 PolarHBondContact O-N 3.45Å; H42-A45 PolarHBondContact O-N 2.94Å; H42-F46 AromaticContact CD2-CE2 3.98Å; H42-F46 AromaticContact CE1-CE2 3.71Å; H42-F46 AromaticContact NE2-CE2 3.55Å; H42-F46 WeakPolarHBondContact O-CD2 2.82Å
43F75.4Confident80.7Confident11 Ų1136.9 Ų36.95%0.04822%0.223CC..Hα-helixtrans-67.2-32.6175.6-83.4-103.7000112.4V23 T26 T39 A40 A45 F46 G47 A48 L50 I106 I108V23-F43 HydrophobicContact CB-CD1 4.23Å; V23-F43 HydrophobicContact CB-CE1 4.12Å; V23-F43 HydrophobicContact CG1-CD1 4.23Å; V23-F43 HydrophobicContact CG1-CE1 3.95Å; V23-F43 HydrophobicContact CG2-CD1 4.42Å; V23-F43 HydrophobicContact CG2-CE1 3.95Å; T26-F43 HydrophobicContact CG2-CD1 4.34Å; T26-F43 HydrophobicContact CG2-CE1 4.24Å; T26-F43 WeakPolarHBondContact OG1-CD1 3.26Å; T26-F43 WeakPolarHBondContact OG1-CE1 3.18Å; T39-F43 HydrophobicContact CG2-CD2 3.63Å; T39-F43 HydrophobicContact CG2-CE2 3.52Å; T39-F43 VanDerWaalsContact O-CD2 3.28Å; T39-F43 WeakPolarHBondContact O-CD2 3.09Å; T39-F43 PolarHBondContact O-N 3.18Å; A40-F43 PolarHBondContact O-N 3.39Å; F43-A45 VanDerWaalsContact C-N 3.3Å; F43-A45 PolarHBondContact O-N 3.21Å; F43-F46 PolarHBondContact O-N 2.59Å; F43-F46 VanDerWaalsContact O-N 3.08Å; F43-G47 PolarHBondContact O-N 3.48Å; F43-A48 HydrophobicContact CB-CB 4.1Å; F43-A48 HydrophobicContact CD1-CB 4.15Å; F43-A48 WeakPolarHBondContact O-CB 3.08Å; F43-A48 PolarHBondContact O-N 3.09Å; F43-L50 HydrophobicContact CB-CD2 3.77Å; F43-I106 HydrophobicContact CE1-CD1 4.11Å; F43-I108 HydrophobicContact CE2-CD1 4.07Å; F43-I108 HydrophobicContact CZ-CD1 4.12Å
44A83.7Confident81.7Confident2 Ų234 Ų342%0.01720%0.204CC..Hα-helixtrans-60-40.3174.900000112.2A40 Q41 H42 F46 G47 L50 C67 K70 L72A40-A44 WeakPolarHBondContact O-CB 2.91Å; A40-A44 PolarHBondContact O-N 2.79Å; Q41-A44 WeakPolarHBondContact O-CB 3.33Å; Q41-A44 PolarHBondContact O-N 3.24Å; H42-A44 VanDerWaalsContact C-N 3.31Å; H42-A44 PolarHBondContact O-N 3.45Å; A44-F46 PolarHBondContact O-N 2.74Å; A44-G47 PolarHBondContact O-N 2.67Å; A44-L50 HydrophobicContact CB-CD1 4Å; A44-C67 HydrophobicContact CB-CB 3.56Å; A44-K70 HydrophobicContact CB-CB 4.34Å; A44-L72 HydrophobicContact CB-CB 3.96Å; A44-L72 HydrophobicContact CB-CD2 3.87Å; A44-L72 HydrophobicContact CB-CG 4.48Å
45A75.9Confident82.4Confident60 Ų6039.5 Ų39.550%0.49621%0.207SC..Hα-helixtrans-62.7-20.2176.100000113.7Q41 H42 F43Q41-A45 PolarHBondContact O-N 3.26Å; H42-A45 PolarHBondContact O-N 2.94Å; F43-A45 VanDerWaalsContact C-N 3.3Å; F43-A45 PolarHBondContact O-N 3.21Å
46F77.8Confident83.3Confident88 Ų8838.2 Ų38.239%0.38620%0.201SC..THydrogen-bonded Turntrans-95.35.4173.9-66.7-72.5000113.6H42 F43 A44 A48H42-F46 AromaticContact CD2-CE2 3.98Å; H42-F46 AromaticContact CE1-CE2 3.71Å; H42-F46 AromaticContact NE2-CE2 3.55Å; H42-F46 WeakPolarHBondContact O-CD2 2.82Å; F43-F46 PolarHBondContact O-N 2.59Å; F43-F46 VanDerWaalsContact O-N 3.08Å; A44-F46 PolarHBondContact O-N 2.74Å; F46-A48 VanDerWaalsContact C-N 3.31Å; F46-A48 PolarHBondContact O-N 3.46Å
47G83.2Confident84.2Confident27 Ų2743.4 Ų43.428%0.27823%0.225SC..THydrogen-bonded Turntrans74.418.417800000114.8F43 A44 K76F43-G47 PolarHBondContact O-N 3.48Å; A44-G47 PolarHBondContact O-N 2.67Å; G47-K76 PolarHBondContact O-NZ 2.82Å
48A76.3Confident84.8Confident0 Ų045.6 Ų45.60%024%0.238CC..  trans-67.2148.1-179.500000112.2V23 F43 F46 L50 L72V23-A48 HydrophobicContact CB-CB 4.39Å; V23-A48 VanDerWaalsContact O-CA 3.3Å; V23-A48 WeakPolarHBondContact O-CA 3.38Å; V23-A48 WeakPolarHBondContact O-CB 3.5Å; F43-A48 HydrophobicContact CB-CB 4.1Å; F43-A48 HydrophobicContact CD1-CB 4.15Å; F43-A48 WeakPolarHBondContact O-CB 3.08Å; F43-A48 PolarHBondContact O-N 3.09Å; F46-A48 VanDerWaalsContact C-N 3.31Å; F46-A48 PolarHBondContact O-N 3.46Å; A48-L50 HydrophobicContact CB-CD2 4.32Å; A48-L72 WeakPolarHBondContact O-CD1 3.45Å; A48-L72 WeakPolarHBondContact O-CD2 3.47Å
49F90.2Very high85.6Confident67 Ų6744.2 Ų44.229%0.29422%0.224SC..  trans-75.7134.5167.4-62-105.6000108.6N24 L25 T26 K76 F101N24-F49 WeakPolarHBondContact O-CB 3.46Å; N24-F49 WeakPolarHBondContact O-CD2 3.38Å; L25-F49 CarbonylContact C-O 3.58Å; L25-F49 WeakPolarHBondContact CA-O 3.18Å; L25-F49 HydrophobicContact CB-CB 4.45Å; L25-F49 HydrophobicContact CD1-CB 3.52Å; L25-F49 WeakPolarHBondContact CD1-O 3.12Å; T26-F49 PolarHBondContact N-O 3.41Å; F49-K76 CarbonylContact C-O 3.54Å; F49-K76 WeakPolarHBondContact CA-O 3.36Å; F49-K76 HydrophobicContact CD1-CB 4Å; F49-K76 HydrophobicContact CD1-CD 4.19Å; F49-K76 HydrophobicContact CD1-CG 3.74Å; F49-K76 HydrophobicContact CD2-CD 4.35Å; F49-K76 HydrophobicContact CE1-CB 4.43Å; F49-K76 HydrophobicContact CE1-CD 4.08Å; F49-K76 HydrophobicContact CE1-CG 3.68Å; F49-K76 HydrophobicContact CE2-CD 4.22Å; F49-K76 HydrophobicContact CG-CB 4.41Å; F49-K76 HydrophobicContact CG-CD 4.35Å; F49-K76 HydrophobicContact CG-CG 4.32Å; F49-K76 HydrophobicContact CZ-CD 4.1Å; F49-K76 HydrophobicContact CZ-CG 4.19Å; F49-F101 HydrophobicContact CB-CD1 4.17Å; F49-F101 HydrophobicContact CB-CE1 4.14Å; F49-F101 HydrophobicContact CB-CZ 4.45Å; F49-F101 AromaticContact CD1-CD1 3.61Å; F49-F101 HydrophobicContact CD1-CD1 3.61Å; F49-F101 AromaticContact CD1-CE1 3.63Å; F49-F101 HydrophobicContact CD1-CE1 3.63Å; F49-F101 HydrophobicContact CE1-CD1 4.43Å; F49-F101 HydrophobicContact CG-CD1 4.28Å; F49-F101 HydrophobicContact CG-CE1 4.38Å
50L88.7Confident86.5Confident0 Ų042.7 Ų42.70%022%0.215CC..EExtended strand (participates in β ladder)trans-124.3128.5-172.7-62.6-178.4000110.8L28 A40 F43 A44 A48 L52 C67 L72 K76 V77 L78L28-L50 HydrophobicContact CD1-CD2 4.02Å; A40-L50 HydrophobicContact CB-CD1 4.5Å; A40-L50 WeakPolarHBondContact O-CD1 3.45Å; F43-L50 HydrophobicContact CB-CD2 3.77Å; A44-L50 HydrophobicContact CB-CD1 4Å; A48-L50 HydrophobicContact CB-CD2 4.32Å; L50-L52 HydrophobicContact CB-CD2 4.04Å; L50-L52 HydrophobicContact CB-CG 4.36Å; L50-L52 HydrophobicContact CD1-CD2 4.47Å; L50-C67 HydrophobicContact CD1-CB 4.39Å; L50-L72 HydrophobicContact CD1-CD2 3.67Å; L50-L72 HydrophobicContact CG-CD2 3.98Å; L50-K76 PolarHBondContact N-O 3.06Å; L50-V77 HydrophobicContact CB-CG1 4.49Å; L50-V77 WeakPolarHBondContact O-CA 3.33Å; L50-L78 PolarHBondContact O-N 3.13Å
51S93.5Very high87.2Confident0 Ų045.7 Ų45.70%023%0.231CC..EExtended strand (participates in β ladder)trans-111.6111163-165.20000109.2T26 T27 L28 W53 L78 T97T26-S51 PolarHBondContact O-N 3.12Å; T27-S51 WeakPolarHBondContact CA-O 3.39Å; L28-S51 PolarHBondContact N-O 3.19Å; S51-W53 PolarHBondContact OG-NE1 3.28Å; S51-L78 CarbonylContact C-O 3.58Å; S51-L78 WeakPolarHBondContact CA-O 3.39Å; S51-T97 PolarHBondContact OG-OG1 2.92Å
52L92.8Very high87.8Confident0 Ų045.2 Ų45.20%023%0.23CC..EExtended strand (participates in β ladder)trans-103.1116.2-172.3-54.8-176.8000109.6L28 A31 A40 L50 L60 T63 V77 L78 C79 C80L28-L52 HydrophobicContact CB-CD2 4.45Å; L28-L52 HydrophobicContact CD1-CD2 3.99Å; A31-L52 HydrophobicContact CB-CB 3.78Å; A31-L52 HydrophobicContact CB-CD2 3.9Å; A31-L52 HydrophobicContact CB-CG 4.36Å; A40-L52 HydrophobicContact CB-CD2 3.66Å; L50-L52 HydrophobicContact CB-CD2 4.04Å; L50-L52 HydrophobicContact CB-CG 4.36Å; L50-L52 HydrophobicContact CD1-CD2 4.47Å; L52-L60 HydrophobicContact CB-CD2 4Å; L52-T63 HydrophobicContact CD1-CG2 3.87Å; L52-V77 HydrophobicContact CD1-CG1 3.82Å; L52-V77 HydrophobicContact CG-CG1 4.2Å; L52-L78 PolarHBondContact N-O 3.4Å; L52-C79 WeakPolarHBondContact O-CA 3.49Å; L52-C80 PolarHBondContact O-N 2.97Å
53W93.9Very high88.5Confident1 Ų141.3 Ų41.30%0.00421%0.212CC..EExtended strand (participates in β ladder)trans-113.1141.1-177.2-61.915.3000111.5T27 L28 T29 G30 A31 S51 C80 A82 V90 A93 L94 T97 L141T27-W53 HydrophobicContact CG2-CD2 4.14Å; T27-W53 HydrophobicContact CG2-CG 4.48Å; T27-W53 HydrophobicContact CG2-CH2 4.48Å; T27-W53 HydrophobicContact CG2-CZ2 3.82Å; L28-W53 PolarHBondContact O-N 3.05Å; T29-W53 HydrophobicContact CG2-CE3 4.24Å; G30-W53 PolarHBondContact N-O 2.97Å; A31-W53 PolarHBondContact N-O 2.89Å; S51-W53 PolarHBondContact OG-NE1 3.28Å; W53-C80 WeakPolarHBondContact CA-O 3.12Å; W53-C80 HydrophobicContact CG-CB 4.24Å; W53-A82 HydrophobicContact CE3-CB 4.35Å; W53-V90 WeakPolarHBondContact CH2-O 3.45Å; W53-V90 HydrophobicContact CZ3-CG1 4.25Å; W53-A93 HydrophobicContact CD2-CB 3.69Å; W53-A93 HydrophobicContact CE3-CB 3.78Å; W53-A93 HydrophobicContact CG-CB 4.47Å; W53-A93 HydrophobicContact CH2-CB 3.63Å; W53-A93 HydrophobicContact CZ2-CB 3.51Å; W53-A93 HydrophobicContact CZ3-CB 3.74Å; W53-L94 HydrophobicContact CH2-CB 3.88Å; W53-L94 VanDerWaalsContact CH2-N 3.26Å; W53-L94 HydrophobicContact CZ2-CB 4.28Å; W53-T97 PolarHBondContact NE1-OG1 2.87Å; W53-L141 HydrophobicContact CH2-CD1 3.95Å; W53-L141 HydrophobicContact CZ3-CD1 3.87Å; W53-L141 HydrophobicContact CZ3-CD2 4.42Å
54G91.2Very high89.5Confident7 Ų742.6 Ų42.67%0.07222%0.218CC..EExtended strand (participates in β ladder)trans-177168.7-179.900000112.1C80 K81 A82G54-C80 PolarHBondContact N-O 2.92Å; G54-K81 CarbonylContact O-C 3.5Å; G54-K81 VanDerWaalsContact O-CA 3.31Å; G54-K81 WeakPolarHBondContact O-CA 3.38Å; G54-A82 CarbonylContact C-O 3.59Å; G54-A82 PolarHBondContact O-N 3.24Å
55R92.1Very high90Very high174 Ų17449.2 Ų49.266%0.65724%0.242SC*.SBendtrans-84.7-33.2-178.6-62.1178.8-61.5168.63.7112.8D83R55-D83 WeakPolarHBondContact CD-OD2 3.43Å; R55-D83 HydrophobicContact CG-CB 4.12Å
56D92.4Very high90.9Very high77 Ų7749 Ų4941%0.41223%0.232SC..  trans-96.6111.3-179.7179.145.9000110.8Q58 S59 L60D56-Q58 VanDerWaalsContact C-N 3.34Å; D56-S59 WeakPolarHBondContact OD2-CB 3.31Å; D56-S59 PolarHBondContact OD2-N 3.24Å; D56-S59 PolarHBondContact OD2-OG 3.24Å; D56-L60 WeakPolarHBondContact O-CG 3.5Å; D56-L60 PolarHBondContact O-N 3.38Å
57E92.7Very high91.5Very high111 Ų11144.9 Ų44.952%0.51921%0.213SC..Hα-helixtrans-69.5-33.8-175.8-166.8165.9-156.100111.9L60 N61E57-L60 PolarHBondContact O-N 3.13Å; E57-N61 PolarHBondContact O-N 2.91Å; E57-N61 PolarHBondContact O-ND2 2.85Å
58Q94.1Very high92Very high108 Ų10846.6 Ų46.651%0.50522%0.216SC..Hα-helixtrans-63.9-49.4177.2-174.957.14500111.2D56 L60 N61 D62D56-Q58 VanDerWaalsContact C-N 3.34Å; Q58-L60 VanDerWaalsContact C-N 3.28Å; Q58-L60 PolarHBondContact O-N 3.24Å; Q58-N61 WeakPolarHBondContact O-CB 3.21Å; Q58-N61 PolarHBondContact O-N 3.36Å; Q58-N61 VanDerWaalsContact O-N 3.12Å; Q58-D62 PolarHBondContact NE2-OD1 2.89Å; Q58-D62 VanDerWaalsContact NE2-OD1 3.09Å; Q58-D62 VanDerWaalsContact O-CG 3.29Å; Q58-D62 PolarHBondContact O-N 3.31Å
59S92.3Very high92.8Very high29 Ų2954 Ų5420%0.20325%0.25CS..Hα-helixtrans-63.4-31176.6-67.90000113.6S32 D56 T63S32-S59 WeakPolarHBondContact O-CB 3.43Å; D56-S59 WeakPolarHBondContact OD2-CB 3.31Å; D56-S59 PolarHBondContact OD2-N 3.24Å; D56-S59 PolarHBondContact OD2-OG 3.24Å; S59-T63 PolarHBondContact O-N 3Å; S59-T63 PolarHBondContact O-OG1 2.77Å
60L93Very high92.7Very high1 Ų156.4 Ų56.41%0.00526%0.261CS..Hα-helixtrans-66.8-43.9172.1-74.5174.9000111.2A31 L52 D56 E57 Q58 D62 T63 K64 C79 C80A31-L60 HydrophobicContact CB-CD2 4.11Å; L52-L60 HydrophobicContact CB-CD2 4Å; D56-L60 WeakPolarHBondContact O-CG 3.5Å; D56-L60 PolarHBondContact O-N 3.38Å; E57-L60 PolarHBondContact O-N 3.13Å; Q58-L60 VanDerWaalsContact C-N 3.28Å; Q58-L60 PolarHBondContact O-N 3.24Å; L60-D62 VanDerWaalsContact C-N 3.33Å; L60-D62 PolarHBondContact O-N 3.36Å; L60-T63 PolarHBondContact O-N 3.45Å; L60-K64 WeakPolarHBondContact O-CB 3.32Å; L60-K64 PolarHBondContact O-N 3.49Å; L60-C79 HydrophobicContact CB-CB 4.33Å; L60-C80 WeakPolarHBondContact CD1-O 3.3Å
61N94.5Very high92.7Very high64 Ų6459.5 Ų59.534%0.34229%0.293SS..Hα-helixtrans-63.5-38.8175.9-72.6-32.2000111.8E57 Q58 T63 K64 R65E57-N61 PolarHBondContact O-N 2.91Å; E57-N61 PolarHBondContact O-ND2 2.85Å; Q58-N61 WeakPolarHBondContact O-CB 3.21Å; Q58-N61 PolarHBondContact O-N 3.36Å; Q58-N61 VanDerWaalsContact O-N 3.12Å; N61-T63 VanDerWaalsContact C-N 3.35Å; N61-T63 PolarHBondContact O-N 3.48Å; N61-K64 PolarHBondContact O-N 2.96Å; N61-R65 WeakPolarHBondContact O-CG 3.38Å; N61-R65 PolarHBondContact O-N 3.24Å
62D94.9Very high92.6Very high40 Ų4059.7 Ų59.721%0.21429%0.293CS..Hα-helixtrans-60.7-45.2172.8-64.7-11.5000111.4Q58 L60 K64 R65 M66Q58-D62 PolarHBondContact NE2-OD1 2.89Å; Q58-D62 VanDerWaalsContact NE2-OD1 3.09Å; Q58-D62 VanDerWaalsContact O-CG 3.29Å; Q58-D62 PolarHBondContact O-N 3.31Å; L60-D62 VanDerWaalsContact C-N 3.33Å; L60-D62 PolarHBondContact O-N 3.36Å; D62-K64 PolarHBondContact O-N 2.92Å; D62-R65 PolarHBondContact O-N 3.33Å; D62-R65 IonicContact OD1-CZ 3.24Å; D62-R65 IonicContact OD1-NE 3.55Å; D62-R65 IonicContact OD1-NH2 3.45Å; D62-R65 PolarHBondContact OD1-NH2 3.02Å; D62-M66 WeakPolarHBondContact O-CG 3.34Å; D62-M66 PolarHBondContact O-N 3.25Å
63T90.5Very high92.6Very high0 Ų062.8 Ų62.80%031%0.313CS..Hα-helixtrans-64.1-41177.5-560000111.4A31 R37 A40 L52 S59 L60 N61 M66 C67A31-T63 PolarHBondContact O-OG1 3.23Å; R37-T63 HydrophobicContact CB-CG2 4.32Å; R37-T63 HydrophobicContact CG-CG2 3.83Å; R37-T63 PolarHBondContact NE-OG1 2.86Å; A40-T63 HydrophobicContact CB-CG2 3.81Å; L52-T63 HydrophobicContact CD1-CG2 3.87Å; S59-T63 PolarHBondContact O-N 3Å; S59-T63 PolarHBondContact O-OG1 2.77Å; L60-T63 PolarHBondContact O-N 3.45Å; N61-T63 VanDerWaalsContact C-N 3.35Å; N61-T63 PolarHBondContact O-N 3.48Å; T63-M66 PolarHBondContact O-N 3.33Å; T63-C67 PolarHBondContact O-N 3.03Å; T63-C67 PolarHBondContact O-SG 3.47Å
64K94.9Very high92.6Very high39 Ų3968.4 Ų68.417%0.1734%0.34CS..Hα-helixtrans-59.8-45.7173.7172.2176174.3-169.70111.4L60 N61 D62 M66 C67 I68 E74 V77L60-K64 WeakPolarHBondContact O-CB 3.32Å; L60-K64 PolarHBondContact O-N 3.49Å; N61-K64 PolarHBondContact O-N 2.96Å; D62-K64 PolarHBondContact O-N 2.92Å; K64-M66 PolarHBondContact O-N 3.06Å; K64-C67 WeakPolarHBondContact O-CB 3.34Å; K64-C67 PolarHBondContact O-N 3.01Å; K64-C67 VanDerWaalsContact O-N 3.15Å; K64-I68 HydrophobicContact CG-CD1 3.93Å; K64-I68 WeakPolarHBondContact O-CG1 3.41Å; K64-I68 PolarHBondContact O-N 3.23Å; K64-E74 WeakPolarHBondContact CE-OE1 3.38Å; K64-E74 IonicContact NZ-OE1 2.79Å; K64-E74 PolarHBondContact NZ-OE1 2.91Å; K64-V77 HydrophobicContact CB-CG1 4.05Å; K64-V77 HydrophobicContact CD-CB 4.46Å; K64-V77 HydrophobicContact CD-CG1 4.15Å; K64-V77 HydrophobicContact CG-CB 4.17Å; K64-V77 HydrophobicContact CG-CG1 3.77Å
65R96.1Very high92.7Very high140 Ų14071.4 Ų71.453%0.52836%0.36SS..Hα-helixtrans-57.8-47.9175.2-73-170.9-67.4-170.53.9111.7N61 D62 C67 I68 E69N61-R65 WeakPolarHBondContact O-CG 3.38Å; N61-R65 PolarHBondContact O-N 3.24Å; D62-R65 PolarHBondContact O-N 3.33Å; D62-R65 IonicContact OD1-CZ 3.24Å; D62-R65 IonicContact OD1-NE 3.55Å; D62-R65 IonicContact OD1-NH2 3.45Å; D62-R65 PolarHBondContact OD1-NH2 3.02Å; R65-C67 VanDerWaalsContact C-N 3.27Å; R65-C67 PolarHBondContact O-N 3.26Å; R65-I68 PolarHBondContact O-N 2.89Å; R65-E69 WeakPolarHBondContact O-CG 3.43Å; R65-E69 PolarHBondContact O-N 3.5Å
66M93.2Very high92.8Very high57 Ų5765.7 Ų65.728%0.28134%0.339SS..Hα-helixtrans-60.5-34.6176.4-66.2173-177.800112.7R37 Q41 D62 T63 K64 K70R37-M66 HydrophobicContact CG-SD 4.38Å; Q41-M66 HydrophobicContact CG-CB 3.85Å; D62-M66 WeakPolarHBondContact O-CG 3.34Å; D62-M66 PolarHBondContact O-N 3.25Å; T63-M66 PolarHBondContact O-N 3.33Å; K64-M66 PolarHBondContact O-N 3.06Å; M66-K70 WeakPolarHBondContact O-CG 3.18Å; M66-K70 PolarHBondContact O-N 2.84Å
67C90.2Very high92.8Very high0 Ų062.4 Ų62.40%032%0.322CS..Hα-helixtrans-68.8-39.5174.7-65.60000111.8A44 L50 T63 K64 R65 K70 L72 V77A44-C67 HydrophobicContact CB-CB 3.56Å; L50-C67 HydrophobicContact CD1-CB 4.39Å; T63-C67 PolarHBondContact O-N 3.03Å; T63-C67 PolarHBondContact O-SG 3.47Å; K64-C67 WeakPolarHBondContact O-CB 3.34Å; K64-C67 PolarHBondContact O-N 3.01Å; K64-C67 VanDerWaalsContact O-N 3.15Å; R65-C67 VanDerWaalsContact C-N 3.27Å; R65-C67 PolarHBondContact O-N 3.26Å; C67-K70 WeakPolarHBondContact O-CB 2.8Å; C67-K70 PolarHBondContact O-N 3Å; C67-L72 HydrophobicContact CB-CD2 4.4Å; C67-L72 WeakPolarHBondContact O-CB 3.34Å; C67-L72 PolarHBondContact O-N 3.3Å; C67-V77 HydrophobicContact CB-CG2 4.47Å
68I94.6Very high92.9Very high63 Ų6358.9 Ų58.932%0.32331%0.307SS..Hα-helixtrans-66.1-40.8177-66164.6000110.8K64 R65 K70 G71 L72 E74K64-I68 HydrophobicContact CG-CD1 3.93Å; K64-I68 WeakPolarHBondContact O-CG1 3.41Å; K64-I68 PolarHBondContact O-N 3.23Å; R65-I68 PolarHBondContact O-N 2.89Å; I68-K70 PolarHBondContact O-N 2.81Å; I68-K70 VanDerWaalsContact O-N 3.16Å; I68-G71 WeakPolarHBondContact O-CA 3.48Å; I68-G71 PolarHBondContact O-N 2.87Å; I68-L72 WeakPolarHBondContact CA-O 3.22Å; I68-E74 HydrophobicContact CD1-CB 4.02Å; I68-E74 HydrophobicContact CD1-CG 4.29Å
69E93.7Very high92.9Very high155 Ų15555.5 Ų55.572%0.72429%0.294SS*.Hα-helixtrans-60.6-22.2174-71.7167.5-173.300113R65 G71R65-E69 WeakPolarHBondContact O-CG 3.43Å; R65-E69 PolarHBondContact O-N 3.5Å; E69-G71 VanDerWaalsContact C-N 3.27Å
70K88.2Confident93Very high119 Ų11954.7 Ų54.752%0.51729%0.289SS..THydrogen-bonded Turntrans-83.74.3171.8-64.7-66.3-179.1-172.70114A44 M66 C67 I68A44-K70 HydrophobicContact CB-CB 4.34Å; M66-K70 WeakPolarHBondContact O-CG 3.18Å; M66-K70 PolarHBondContact O-N 2.84Å; C67-K70 WeakPolarHBondContact O-CB 2.8Å; C67-K70 PolarHBondContact O-N 3Å; I68-K70 PolarHBondContact O-N 2.81Å; I68-K70 VanDerWaalsContact O-N 3.16Å
71G88.7Confident93.1Very high65 Ų6561 Ų6167%0.6732%0.317SS*.THydrogen-bonded Turntrans94.97.9177.600000114.7I68 E69 P73I68-G71 WeakPolarHBondContact O-CA 3.48Å; I68-G71 PolarHBondContact O-N 2.87Å; E69-G71 VanDerWaalsContact C-N 3.27Å; G71-P73 WeakPolarHBondContact O-CD 3.33Å
72L90.1Very high93.1Very high3 Ų358.1 Ų58.12%0.01630%0.301CS..  trans-80.7123.7177.5-170.368.4000110.7A44 A48 L50 C67 I68 E74 K76 V77A44-L72 HydrophobicContact CB-CB 3.96Å; A44-L72 HydrophobicContact CB-CD2 3.87Å; A44-L72 HydrophobicContact CB-CG 4.48Å; A48-L72 WeakPolarHBondContact O-CD1 3.45Å; A48-L72 WeakPolarHBondContact O-CD2 3.47Å; L50-L72 HydrophobicContact CD1-CD2 3.67Å; L50-L72 HydrophobicContact CG-CD2 3.98Å; C67-L72 HydrophobicContact CB-CD2 4.4Å; C67-L72 WeakPolarHBondContact O-CB 3.34Å; C67-L72 PolarHBondContact O-N 3.3Å; I68-L72 WeakPolarHBondContact CA-O 3.22Å; L72-E74 PolarHBondContact O-N 3.21Å; L72-K76 HydrophobicContact CD1-CB 3.86Å; L72-K76 HydrophobicContact CD1-CD 3.73Å; L72-K76 HydrophobicContact CD1-CG 4.4Å; L72-K76 HydrophobicContact CD2-CB 4.35Å; L72-K76 HydrophobicContact CG-CB 4.01Å; L72-V77 HydrophobicContact CD2-CG2 3.33Å; L72-V77 HydrophobicContact CG-CG2 4.08Å
73P93.3Very high93Very high65 Ų6557.6 Ų57.642%0.42230%0.298SS..  trans-58.8140.7175.6-24.634.2000111.7G71 S75 K76G71-P73 WeakPolarHBondContact O-CD 3.33Å; P73-S75 PolarHBondContact O-N 2.9Å; P73-S75 VanDerWaalsContact O-N 3.08Å; P73-K76 HydrophobicContact CB-CG 4.49Å; P73-K76 WeakPolarHBondContact O-CB 3.44Å; P73-K76 PolarHBondContact O-N 2.92Å
74E93.8Very high93.2Very high120 Ų12058.2 Ų58.256%0.56130%0.302SS*.G310 helixtrans-54.6-33.5178.4178166.9-161.900112.4K64 I68 L72 K76 V77K64-E74 WeakPolarHBondContact CE-OE1 3.38Å; K64-E74 IonicContact NZ-OE1 2.79Å; K64-E74 PolarHBondContact NZ-OE1 2.91Å; I68-E74 HydrophobicContact CD1-CB 4.02Å; I68-E74 HydrophobicContact CD1-CG 4.29Å; L72-E74 PolarHBondContact O-N 3.21Å; E74-K76 PolarHBondContact O-N 2.87Å; E74-K76 VanDerWaalsContact O-N 3.13Å; E74-V77 PolarHBondContact O-N 2.93Å
75S93.8Very high93.2Very high69 Ų6958.1 Ų58.148%0.48331%0.305SS..G310 helixtrans-60.2-23.8177.361.50000113.6P73 R100P73-S75 PolarHBondContact O-N 2.9Å; P73-S75 VanDerWaalsContact O-N 3.08Å; S75-R100 PolarHBondContact O-NH2 2.85Å
76K93Very high93.2Very high54 Ų5456.2 Ų56.224%0.23530%0.301CS..G310 helixtrans-88.7-0.4178.5-65.6-164171.1-178.60113.7G47 F49 L50 L72 P73 E74G47-K76 PolarHBondContact O-NZ 2.82Å; F49-K76 CarbonylContact C-O 3.54Å; F49-K76 WeakPolarHBondContact CA-O 3.36Å; F49-K76 HydrophobicContact CD1-CB 4Å; F49-K76 HydrophobicContact CD1-CD 4.19Å; F49-K76 HydrophobicContact CD1-CG 3.74Å; F49-K76 HydrophobicContact CD2-CD 4.35Å; F49-K76 HydrophobicContact CE1-CB 4.43Å; F49-K76 HydrophobicContact CE1-CD 4.08Å; F49-K76 HydrophobicContact CE1-CG 3.68Å; F49-K76 HydrophobicContact CE2-CD 4.22Å; F49-K76 HydrophobicContact CG-CB 4.41Å; F49-K76 HydrophobicContact CG-CD 4.35Å; F49-K76 HydrophobicContact CG-CG 4.32Å; F49-K76 HydrophobicContact CZ-CD 4.1Å; F49-K76 HydrophobicContact CZ-CG 4.19Å; L50-K76 PolarHBondContact N-O 3.06Å; L72-K76 HydrophobicContact CD1-CB 3.86Å; L72-K76 HydrophobicContact CD1-CD 3.73Å; L72-K76 HydrophobicContact CD1-CG 4.4Å; L72-K76 HydrophobicContact CD2-CB 4.35Å; L72-K76 HydrophobicContact CG-CB 4.01Å; P73-K76 HydrophobicContact CB-CG 4.49Å; P73-K76 WeakPolarHBondContact O-CB 3.44Å; P73-K76 PolarHBondContact O-N 2.92Å; E74-K76 PolarHBondContact O-N 2.87Å; E74-K76 VanDerWaalsContact O-N 3.13Å
77V93.3Very high93.3Very high8 Ų856.6 Ų56.65%0.04830%0.303CS..EExtended strand (participates in β ladder)trans-118.4122.8179.7-1700000110.9L50 L52 K64 C67 L72 E74L50-V77 HydrophobicContact CB-CG1 4.49Å; L50-V77 WeakPolarHBondContact O-CA 3.33Å; L52-V77 HydrophobicContact CD1-CG1 3.82Å; L52-V77 HydrophobicContact CG-CG1 4.2Å; K64-V77 HydrophobicContact CB-CG1 4.05Å; K64-V77 HydrophobicContact CD-CB 4.46Å; K64-V77 HydrophobicContact CD-CG1 4.15Å; K64-V77 HydrophobicContact CG-CB 4.17Å; K64-V77 HydrophobicContact CG-CG1 3.77Å; C67-V77 HydrophobicContact CB-CG2 4.47Å; L72-V77 HydrophobicContact CD2-CG2 3.33Å; L72-V77 HydrophobicContact CG-CG2 4.08Å; E74-V77 PolarHBondContact O-N 2.93Å
78L94.6Very high93.5Very high38 Ų3860.5 Ų60.520%0.19933%0.331CS..EExtended strand (participates in β ladder)trans-113.2124.6170.617867.1000109.4L50 S51 L52 A96 R100 F101L50-L78 PolarHBondContact O-N 3.13Å; S51-L78 CarbonylContact C-O 3.58Å; S51-L78 WeakPolarHBondContact CA-O 3.39Å; L52-L78 PolarHBondContact N-O 3.4Å; L78-A96 HydrophobicContact CD2-CB 4.39Å; L78-R100 HydrophobicContact CB-CG 4.41Å; L78-R100 HydrophobicContact CD2-CB 3.96Å; L78-R100 HydrophobicContact CD2-CG 4.28Å; L78-F101 HydrophobicContact CB-CE2 3.75Å; L78-F101 HydrophobicContact CB-CZ 3.89Å; L78-F101 HydrophobicContact CD2-CE2 4.42Å
79C94.9Very high93.6Very high36 Ų3660.2 Ų60.224%0.24333%0.328CS..EExtended strand (participates in β ladder)trans-98.3130.7170-66.40000109.5L52 L60L52-C79 WeakPolarHBondContact O-CA 3.49Å; L60-C79 HydrophobicContact CB-CB 4.33Å
80C94Very high93.7Very high13 Ų1352.9 Ų52.99%0.08829%0.294CS..EExtended strand (participates in β ladder)trans-124.7120.1174.8-62.70000109.5L52 W53 G54 L60 A82 A93L52-C80 PolarHBondContact O-N 2.97Å; W53-C80 WeakPolarHBondContact CA-O 3.12Å; W53-C80 HydrophobicContact CG-CB 4.24Å; G54-C80 PolarHBondContact N-O 2.92Å; L60-C80 WeakPolarHBondContact CD1-O 3.3Å; C80-A82 PolarHBondContact O-N 3.34Å; C80-A93 HydrophobicContact CB-CB 3.86Å
81K94.5Very high94Very high134 Ų13451.5 Ų51.558%0.58329%0.288SS*.EExtended strand (participates in β ladder)trans-72.2114.6167.8-176.2-179.8179.8177.20108.6G54G54-K81 CarbonylContact O-C 3.5Å; G54-K81 VanDerWaalsContact O-CA 3.31Å; G54-K81 WeakPolarHBondContact O-CA 3.38Å
82A94.2Very high94.3Very high2 Ų253 Ų532%0.01728%0.284CS..  trans-153.4129.5179.500000111.3W53 G54 C80 E89 A93W53-A82 HydrophobicContact CE3-CB 4.35Å; G54-A82 CarbonylContact C-O 3.59Å; G54-A82 PolarHBondContact O-N 3.24Å; C80-A82 PolarHBondContact O-N 3.34Å; A82-E89 HydrophobicContact CB-CB 4.3Å; A82-A93 HydrophobicContact CB-CB 3.9Å
83D94Very high94.5Very high29 Ų2953 Ų5316%0.15529%0.285CS..  trans-85114.1162.2-165.6-34.4000109.8R55 T85 K86 E89R55-D83 WeakPolarHBondContact CD-OD2 3.43Å; R55-D83 HydrophobicContact CG-CB 4.12Å; D83-T85 PolarHBondContact O-N 3.16Å; D83-T85 WeakPolarHBondContact OD1-CB 3.18Å; D83-T85 WeakPolarHBondContact OD1-CG2 3.34Å; D83-T85 PolarHBondContact OD1-N 2.94Å; D83-T85 PolarHBondContact OD1-OG1 3.38Å; D83-K86 HydrophobicContact CB-CD 4.09Å; D83-K86 HydrophobicContact CB-CG 4.24Å; D83-K86 PolarHBondContact O-N 3.29Å; D83-E89 PolarHBondContact N-OE2 3.35Å
84V94Very high94.6Very high14 Ų1450 Ų509%0.08527%0.265CS..THydrogen-bonded Turntrans-61-18.6-178.9-630000113.4T29 K86 V90 A111 S137T29-V84 HydrophobicContact CG2-CG1 4.02Å; V84-K86 VanDerWaalsContact C-N 3.28Å; V84-V90 HydrophobicContact CB-CG2 4.49Å; V84-V90 WeakPolarHBondContact O-CG2 3.46Å; V84-A111 HydrophobicContact CG1-CB 4.22Å; V84-A111 HydrophobicContact CG2-CB 3.91Å; V84-S137 VanDerWaalsContact O-CB 3.25Å; V84-S137 WeakPolarHBondContact O-CB 3.48Å
85T95.2Very high94.7Very high37 Ų3747.7 Ų47.723%0.22726%0.257CS..THydrogen-bonded Turntrans-76.1-16.8176.165.70000113.1D83 T132 V133D83-T85 PolarHBondContact O-N 3.16Å; D83-T85 WeakPolarHBondContact OD1-CB 3.18Å; D83-T85 WeakPolarHBondContact OD1-CG2 3.34Å; D83-T85 PolarHBondContact OD1-N 2.94Å; D83-T85 PolarHBondContact OD1-OG1 3.38Å; T85-T132 HydrophobicContact CG2-CG2 4Å; T85-V133 HydrophobicContact CG2-CB 4.44Å; T85-V133 HydrophobicContact CG2-CG2 3.65Å
86K96.2Very high94.7Very high100 Ų10046.2 Ų46.244%0.43525%0.248SC..  trans-103.4111.2-178-63.5177.5-173.5177.60111D83 V84 S88 E89 V90D83-K86 HydrophobicContact CB-CD 4.09Å; D83-K86 HydrophobicContact CB-CG 4.24Å; D83-K86 PolarHBondContact O-N 3.29Å; V84-K86 VanDerWaalsContact C-N 3.28Å; K86-S88 VanDerWaalsContact C-N 3.26Å; K86-S88 PolarHBondContact O-N 2.89Å; K86-E89 HydrophobicContact CB-CB 4.23Å; K86-E89 HydrophobicContact CB-CG 4.14Å; K86-E89 HydrophobicContact CD-CG 4.14Å; K86-E89 WeakPolarHBondContact CD-OE1 3.25Å; K86-E89 IonicContact NZ-OE1 3.18Å; K86-E89 PolarHBondContact NZ-OE1 3.44Å; K86-E89 PolarHBondContact O-N 2.85Å; K86-E89 VanDerWaalsContact O-N 3.15Å; K86-V90 WeakPolarHBondContact O-CG2 3.3Å; K86-V90 PolarHBondContact O-N 2.98Å; K86-V90 VanDerWaalsContact O-N 3.07Å
87N94.4Very high94.8Very high64 Ų6443.6 Ų43.634%0.34224%0.237SC..Hα-helixtrans-55.6-37.6-176.1-65.113000113.5K91 R136 H140N87-K91 WeakPolarHBondContact O-CB 3.49Å; N87-K91 PolarHBondContact O-N 3Å; N87-R136 PolarHBondContact ND2-NH2 3.08Å; N87-R136 PolarHBondContact OD1-NH1 3.42Å; N87-R136 VanDerWaalsContact OD1-NH1 3.12Å; N87-R136 PolarHBondContact OD1-NH2 2.9Å; N87-H140 WeakPolarHBondContact CB-NE2 3.1Å; N87-H140 PolarHBondContact OD1-CD2 2.97Å
88S95.9Very high94.8Very high83 Ų8344.4 Ų44.458%0.5824%0.241SC*.Hα-helixtrans-66.1-46.4178.650.80000112.3K86 V90 K91 T92K86-S88 VanDerWaalsContact C-N 3.26Å; K86-S88 PolarHBondContact O-N 2.89Å; S88-V90 PolarHBondContact O-N 3.36Å; S88-K91 PolarHBondContact O-N 2.99Å; S88-T92 PolarHBondContact O-N 3.47Å; S88-T92 PolarHBondContact O-OG1 3.16Å; S88-T92 VanDerWaalsContact O-OG1 3.08Å
89E96Very high94.8Very high57 Ų5751.8 Ų51.827%0.26627%0.272SS..Hα-helixtrans-65.5-39.5179.2-64.2-172-157.600111.4A82 D83 K86 T92 A93A82-E89 HydrophobicContact CB-CB 4.3Å; D83-E89 PolarHBondContact N-OE2 3.35Å; K86-E89 HydrophobicContact CB-CB 4.23Å; K86-E89 HydrophobicContact CB-CG 4.14Å; K86-E89 HydrophobicContact CD-CG 4.14Å; K86-E89 WeakPolarHBondContact CD-OE1 3.25Å; K86-E89 IonicContact NZ-OE1 3.18Å; K86-E89 PolarHBondContact NZ-OE1 3.44Å; K86-E89 PolarHBondContact O-N 2.85Å; K86-E89 VanDerWaalsContact O-N 3.15Å; E89-T92 PolarHBondContact O-N 3.42Å; E89-A93 WeakPolarHBondContact O-CB 3.34Å; E89-A93 PolarHBondContact O-N 3.41Å
90V94.7Very high94.7Very high0 Ų056.3 Ų56.30%028%0.283CS..Hα-helixtrans-58.7-48173.4170.10000111.2W53 V84 K86 S88 A93 L94 L141 L144W53-V90 WeakPolarHBondContact CH2-O 3.45Å; W53-V90 HydrophobicContact CZ3-CG1 4.25Å; V84-V90 HydrophobicContact CB-CG2 4.49Å; V84-V90 WeakPolarHBondContact O-CG2 3.46Å; K86-V90 WeakPolarHBondContact O-CG2 3.3Å; K86-V90 PolarHBondContact O-N 2.98Å; K86-V90 VanDerWaalsContact O-N 3.07Å; S88-V90 PolarHBondContact O-N 3.36Å; V90-A93 PolarHBondContact O-N 3.29Å; V90-L94 WeakPolarHBondContact O-CB 3.24Å; V90-L94 PolarHBondContact O-N 3.42Å; V90-L141 HydrophobicContact CG1-CB 4.3Å; V90-L141 HydrophobicContact CG1-CD1 3.88Å; V90-L144 HydrophobicContact CG1-CD1 3.84Å
91K94.6Very high94.6Very high91 Ų9157.2 Ų57.240%0.39629%0.286SS..Hα-helixtrans-63.9-46.9179.6-177.765.1-172.7-122.60111.4N87 S88 A93 L94 D95 L144N87-K91 WeakPolarHBondContact O-CB 3.49Å; N87-K91 PolarHBondContact O-N 3Å; S88-K91 PolarHBondContact O-N 2.99Å; K91-A93 VanDerWaalsContact C-N 3.32Å; K91-A93 PolarHBondContact O-N 3.37Å; K91-L94 PolarHBondContact O-N 2.73Å; K91-D95 VanDerWaalsContact CE-OD1 3.25Å; K91-D95 WeakPolarHBondContact CE-OD1 3.4Å; K91-D95 WeakPolarHBondContact CE-OD2 3.3Å; K91-D95 VanDerWaalsContact O-CG 3.23Å; K91-D95 PolarHBondContact O-N 2.76Å; K91-L144 HydrophobicContact CD-CD1 4.48Å; K91-L144 HydrophobicContact CD-CD2 4.37Å
92T96.2Very high94.3Very high96 Ų9654 Ų5459%0.58929%0.29SS*.Hα-helixtrans-59.5-42.2177.5-61.30000112.2S88 E89 A96S88-T92 PolarHBondContact O-N 3.47Å; S88-T92 PolarHBondContact O-OG1 3.16Å; S88-T92 VanDerWaalsContact O-OG1 3.08Å; E89-T92 PolarHBondContact O-N 3.42Å; T92-A96 WeakPolarHBondContact O-CB 3.41Å; T92-A96 PolarHBondContact O-N 3.32Å
93A94.5Very high94Very high4 Ų457.6 Ų57.63%0.03331%0.306CS..Hα-helixtrans-66.6-41.8177.500000111.7W53 C80 A82 E89 V90 K91 A96 T97W53-A93 HydrophobicContact CD2-CB 3.69Å; W53-A93 HydrophobicContact CE3-CB 3.78Å; W53-A93 HydrophobicContact CG-CB 4.47Å; W53-A93 HydrophobicContact CH2-CB 3.63Å; W53-A93 HydrophobicContact CZ2-CB 3.51Å; W53-A93 HydrophobicContact CZ3-CB 3.74Å; C80-A93 HydrophobicContact CB-CB 3.86Å; A82-A93 HydrophobicContact CB-CB 3.9Å; E89-A93 WeakPolarHBondContact O-CB 3.34Å; E89-A93 PolarHBondContact O-N 3.41Å; V90-A93 PolarHBondContact O-N 3.29Å; K91-A93 VanDerWaalsContact C-N 3.32Å; K91-A93 PolarHBondContact O-N 3.37Å; A93-A96 PolarHBondContact O-N 2.85Å; A93-T97 PolarHBondContact O-N 2.84Å; A93-T97 PolarHBondContact O-OG1 2.82Å
94L94.9Very high93.7Very high2 Ų256.2 Ų56.21%0.0130%0.298CS..Hα-helixtrans-60.3-48175.3-178.157.6000111.5W53 V90 K91 A96 T97 L98 L104 L144 Y148W53-L94 HydrophobicContact CH2-CB 3.88Å; W53-L94 VanDerWaalsContact CH2-N 3.26Å; W53-L94 HydrophobicContact CZ2-CB 4.28Å; V90-L94 WeakPolarHBondContact O-CB 3.24Å; V90-L94 PolarHBondContact O-N 3.42Å; K91-L94 PolarHBondContact O-N 2.73Å; L94-A96 VanDerWaalsContact C-N 3.28Å; L94-A96 PolarHBondContact O-N 2.83Å; L94-T97 WeakPolarHBondContact O-CB 3.33Å; L94-T97 PolarHBondContact O-N 2.8Å; L94-T97 VanDerWaalsContact O-N 3.16Å; L94-L98 HydrophobicContact CD1-CD1 4.04Å; L94-L98 HydrophobicContact CD1-CG 4.16Å; L94-L98 HydrophobicContact CG-CD1 3.89Å; L94-L98 HydrophobicContact CG-CG 4.43Å; L94-L98 WeakPolarHBondContact O-CG 3.33Å; L94-L98 PolarHBondContact O-N 2.81Å; L94-L104 HydrophobicContact CD1-CD2 4.46Å; L94-L144 HydrophobicContact CD2-CB 3.69Å; L94-Y148 HydrophobicContact CD2-CE2 4.2Å
95D95.4Very high93Very high71 Ų7156.8 Ų56.838%0.3830%0.301SS..Hα-helixtrans-62.4-37.9179.7-66.1-19.8000110.9K91 L98 K99K91-D95 VanDerWaalsContact CE-OD1 3.25Å; K91-D95 WeakPolarHBondContact CE-OD1 3.4Å; K91-D95 WeakPolarHBondContact CE-OD2 3.3Å; K91-D95 VanDerWaalsContact O-CG 3.23Å; K91-D95 PolarHBondContact O-N 2.76Å; D95-L98 PolarHBondContact O-N 2.89Å; D95-K99 WeakPolarHBondContact O-CB 3.4Å; D95-K99 PolarHBondContact O-N 3.32Å
96A95Very high92.3Very high37 Ų3755.8 Ų55.831%0.30629%0.294SS..Hα-helixtrans-64.9-42.9173.700000112.4L78 T92 A93 L94 K99 R100L78-A96 HydrophobicContact CD2-CB 4.39Å; T92-A96 WeakPolarHBondContact O-CB 3.41Å; T92-A96 PolarHBondContact O-N 3.32Å; A93-A96 PolarHBondContact O-N 2.85Å; L94-A96 VanDerWaalsContact C-N 3.28Å; L94-A96 PolarHBondContact O-N 2.83Å; A96-K99 PolarHBondContact O-N 3.03Å; A96-R100 VanDerWaalsContact O-CB 3.3Å; A96-R100 WeakPolarHBondContact O-CB 3.48Å; A96-R100 PolarHBondContact O-N 3.29Å
97T93.6Very high91.9Very high0 Ų051 Ų510%027%0.273CS..Hα-helixtrans-59-49.2174.5-58.40000111.3L25 S51 W53 A93 L94 R100 F101L25-T97 HydrophobicContact CD2-CG2 3.93Å; S51-T97 PolarHBondContact OG-OG1 2.92Å; W53-T97 PolarHBondContact NE1-OG1 2.87Å; A93-T97 PolarHBondContact O-N 2.84Å; A93-T97 PolarHBondContact O-OG1 2.82Å; L94-T97 WeakPolarHBondContact O-CB 3.33Å; L94-T97 PolarHBondContact O-N 2.8Å; L94-T97 VanDerWaalsContact O-N 3.16Å; T97-R100 PolarHBondContact O-N 3.33Å; T97-F101 HydrophobicContact CG2-CD2 4.18Å; T97-F101 PolarHBondContact O-N 2.9Å
98L93.8Very high91.5Very high25 Ų2548.3 Ų48.313%0.13126%0.259CS..Hα-helixtrans-67.2-40.6-179.5-67.2169.4000111.8L94 D95 R100 G102 L104 Y148L94-L98 HydrophobicContact CD1-CD1 4.04Å; L94-L98 HydrophobicContact CD1-CG 4.16Å; L94-L98 HydrophobicContact CG-CD1 3.89Å; L94-L98 HydrophobicContact CG-CG 4.43Å; L94-L98 WeakPolarHBondContact O-CG 3.33Å; L94-L98 PolarHBondContact O-N 2.81Å; D95-L98 PolarHBondContact O-N 2.89Å; L98-R100 VanDerWaalsContact C-N 3.26Å; L98-R100 PolarHBondContact O-N 2.96Å; L98-G102 WeakPolarHBondContact O-CA 3.43Å; L98-G102 PolarHBondContact O-N 3.08Å; L98-L104 HydrophobicContact CD2-CB 4.44Å; L98-Y148 HydrophobicContact CD1-CD1 4.03Å; L98-Y148 HydrophobicContact CD1-CD2 4.01Å; L98-Y148 HydrophobicContact CD1-CE1 3.56Å; L98-Y148 HydrophobicContact CD1-CE2 3.53Å; L98-Y148 HydrophobicContact CD1-CG 4.23Å; L98-Y148 HydrophobicContact CD2-CD1 3.85Å; L98-Y148 HydrophobicContact CD2-CD2 4.43Å; L98-Y148 HydrophobicContact CD2-CE1 4.17Å; L98-Y148 HydrophobicContact CD2-CG 3.98Å
99K94.8Very high91.1Very high193 Ų19344.4 Ų44.484%0.83923%0.231SC*.Hα-helixtrans-61.3-36.3174.1-177.5177.1179.4178.90112D95 A96D95-K99 WeakPolarHBondContact O-CB 3.4Å; D95-K99 PolarHBondContact O-N 3.32Å; A96-K99 PolarHBondContact O-N 3.03Å
100R93.1Very high90.6Very high130 Ų13042.7 Ų42.749%0.49123%0.226SC..Hα-helixtrans-78.1-40.6-177.6-179.557.1176.6159.4-5.9113.1S75 L78 A96 T97 L98S75-R100 PolarHBondContact O-NH2 2.85Å; L78-R100 HydrophobicContact CB-CG 4.41Å; L78-R100 HydrophobicContact CD2-CB 3.96Å; L78-R100 HydrophobicContact CD2-CG 4.28Å; A96-R100 VanDerWaalsContact O-CB 3.3Å; A96-R100 WeakPolarHBondContact O-CB 3.48Å; A96-R100 PolarHBondContact O-N 3.29Å; T97-R100 PolarHBondContact O-N 3.33Å; L98-R100 VanDerWaalsContact C-N 3.26Å; L98-R100 PolarHBondContact O-N 2.96Å
101F91Very high90.2Very high33 Ų3343.4 Ų43.415%0.14523%0.232CC..Hα-helixtrans-120-11.5-168.7-57.5-56.9000114.7L25 F49 L78 T97 K103L25-F101 HydrophobicContact CD1-CB 3.92Å; L25-F101 HydrophobicContact CD1-CD1 4.36Å; L25-F101 HydrophobicContact CD1-CD2 3.2Å; L25-F101 HydrophobicContact CD1-CE2 3.65Å; L25-F101 HydrophobicContact CD1-CG 3.59Å; L25-F101 HydrophobicContact CD1-CZ 4.4Å; L25-F101 HydrophobicContact CD2-CB 3.66Å; L25-F101 HydrophobicContact CD2-CD2 3.94Å; L25-F101 HydrophobicContact CD2-CG 4.17Å; L25-F101 HydrophobicContact CG-CB 4.39Å; L25-F101 HydrophobicContact CG-CD2 4.26Å; F49-F101 HydrophobicContact CB-CD1 4.17Å; F49-F101 HydrophobicContact CB-CE1 4.14Å; F49-F101 HydrophobicContact CB-CZ 4.45Å; F49-F101 AromaticContact CD1-CD1 3.61Å; F49-F101 HydrophobicContact CD1-CD1 3.61Å; F49-F101 AromaticContact CD1-CE1 3.63Å; F49-F101 HydrophobicContact CD1-CE1 3.63Å; F49-F101 HydrophobicContact CE1-CD1 4.43Å; F49-F101 HydrophobicContact CG-CD1 4.28Å; F49-F101 HydrophobicContact CG-CE1 4.38Å; L78-F101 HydrophobicContact CB-CE2 3.75Å; L78-F101 HydrophobicContact CB-CZ 3.89Å; L78-F101 HydrophobicContact CD2-CE2 4.42Å; T97-F101 HydrophobicContact CG2-CD2 4.18Å; T97-F101 PolarHBondContact O-N 2.9Å; F101-K103 PolarHBondContact O-N 3.47Å
102G90Very high90Very high65 Ų6541 Ų4167%0.6723%0.233SC*.SBendtrans76.5-7.8172.200000116.5L98L98-G102 WeakPolarHBondContact O-CA 3.43Å; L98-G102 PolarHBondContact O-N 3.08Å
103K86.8Confident89.8Confident79 Ų7938.3 Ų38.334%0.34321%0.214SC..  trans-151.9179.1-178.360.7176.2-176.6149.90111.4L25 F101 D105L25-K103 WeakPolarHBondContact CD2-O 3.42Å; F101-K103 PolarHBondContact O-N 3.47Å; K103-D105 WeakPolarHBondContact CE-OD2 3.42Å; K103-D105 IonicContact NZ-OD1 3.53Å; K103-D105 PolarHBondContact NZ-OD1 3.18Å; K103-D105 IonicContact NZ-OD2 2.74Å; K103-D105 PolarHBondContact NZ-OD2 3.36Å
104L87.1Confident89.6Confident0 Ų043 Ų430%024%0.238CC..  trans-144.5108.4170.5177.763.9000109.8L25 T27 L94 L98 C145 L149 S152L25-L104 HydrophobicContact CD2-CD1 4.39Å; T27-L104 WeakPolarHBondContact OG1-CD1 3.43Å; L94-L104 HydrophobicContact CD1-CD2 4.46Å; L98-L104 HydrophobicContact CD2-CB 4.44Å; L104-C145 HydrophobicContact CD2-CB 3.68Å; L104-C145 VanDerWaalsContact CD2-SG 3.54Å; L104-L149 HydrophobicContact CD2-CD2 4.24Å; L104-L149 HydrophobicContact CD2-CG 4.12Å; L104-L149 HydrophobicContact CG-CD2 4.03Å; L104-L149 HydrophobicContact CG-CG 4.38Å; L104-S152 VanDerWaalsContact O-CB 3.26Å; L104-S152 WeakPolarHBondContact O-CB 3.49Å; L104-S152 PolarHBondContact O-OG 3.2Å
105D79.9Confident89.4Confident25 Ų2543.4 Ų43.413%0.13424%0.24CC..  trans-94.9-38.5-177.7-57.3-62.3000112.2N24 L25 K103 G154 T155N24-D105 WeakPolarHBondContact CB-OD2 3.5Å; L25-D105 PolarHBondContact N-OD2 3.11Å; L25-D105 VanDerWaalsContact N-OD2 3.09Å; K103-D105 WeakPolarHBondContact CE-OD2 3.42Å; K103-D105 IonicContact NZ-OD1 3.53Å; K103-D105 PolarHBondContact NZ-OD1 3.18Å; K103-D105 IonicContact NZ-OD2 2.74Å; K103-D105 PolarHBondContact NZ-OD2 3.36Å; D105-G154 CarbonylContact O-C 3.59Å; D105-G154 WeakPolarHBondContact O-CA 3.49Å; D105-T155 PolarHBondContact O-N 2.86Å
106I81.3Confident89.1Confident16 Ų1646.2 Ų46.28%0.08226%0.255CS..EExtended strand (participates in β ladder)trans-132.1128.6179.9-53.9-167.1000110.9V23 L25 T26 T27 F43 I108 T155V23-I106 HydrophobicContact CB-CD1 4.32Å; V23-I106 HydrophobicContact CG1-CD1 3.33Å; V23-I106 HydrophobicContact CG1-CG1 3.78Å; V23-I106 HydrophobicContact CG2-CD1 4.02Å; L25-I106 PolarHBondContact O-N 3.25Å; T26-I106 WeakPolarHBondContact CA-O 3.43Å; T26-I106 HydrophobicContact CG2-CB 4.19Å; T26-I106 HydrophobicContact CG2-CG2 4.08Å; T27-I106 PolarHBondContact N-O 2.92Å; F43-I106 HydrophobicContact CE1-CD1 4.11Å; I106-I108 HydrophobicContact CG2-CD1 4.28Å; I106-I108 HydrophobicContact CG2-CG1 3.77Å; I106-T155 CarbonylContact C-O 3.35Å; I106-T155 WeakPolarHBondContact CA-O 3.12Å
107L87.8Confident88.8Confident0 Ų045.2 Ų45.20%025%0.249CC..EExtended strand (participates in β ladder)trans-106.9121.2168.217462.5000109.4T27 L141 C145 L149 T155 I156 V157T27-L107 HydrophobicContact CG2-CD1 4.48Å; L107-L141 HydrophobicContact CD1-CD2 3.91Å; L107-L141 HydrophobicContact CD1-CG 4.1Å; L107-L141 HydrophobicContact CD2-CG 4.37Å; L107-C145 HydrophobicContact CD2-CB 3.93Å; L107-L149 HydrophobicContact CB-CD1 4.24Å; L107-L149 HydrophobicContact CB-CD2 4.47Å; L107-L149 HydrophobicContact CD2-CD1 4.36Å; L107-T155 PolarHBondContact N-O 2.95Å; L107-I156 HydrophobicContact CB-CG1 4.43Å; L107-I156 HydrophobicContact CD2-CG1 4.5Å; L107-I156 HydrophobicContact CD2-CG2 4.41Å; L107-I156 CarbonylContact O-C 3.6Å; L107-I156 WeakPolarHBondContact O-CA 3.44Å; L107-V157 PolarHBondContact O-N 2.96Å
108I84.3Confident88.5Confident7 Ų747.6 Ų47.64%0.03627%0.265CS..EExtended strand (participates in β ladder)trans-113106.8174.7-52.5-173.6000109.2T26 T27 L28 T29 T39 F43 I106 S110 V157 V159T26-I108 HydrophobicContact CG2-CD1 3.38Å; T26-I108 HydrophobicContact CG2-CG1 3.7Å; T27-I108 PolarHBondContact O-N 3.15Å; L28-I108 HydrophobicContact CD2-CD1 4.21Å; L28-I108 HydrophobicContact CG-CB 4.23Å; L28-I108 HydrophobicContact CG-CD1 4.16Å; T29-I108 PolarHBondContact N-O 2.75Å; T29-I108 VanDerWaalsContact N-O 3.1Å; T29-I108 PolarHBondContact OG1-O 2.92Å; T39-I108 HydrophobicContact CG2-CD1 3.69Å; F43-I108 HydrophobicContact CE2-CD1 4.07Å; F43-I108 HydrophobicContact CZ-CD1 4.12Å; I106-I108 HydrophobicContact CG2-CD1 4.28Å; I106-I108 HydrophobicContact CG2-CG1 3.77Å; I108-S110 PolarHBondContact O-N 3.31Å; I108-V157 WeakPolarHBondContact CA-O 3.42Å; I108-V157 HydrophobicContact CG1-CB 4.31Å; I108-V157 HydrophobicContact CG2-CB 4.45Å; I108-V159 HydrophobicContact CG2-CG2 4.42Å
109N89.1Confident88.2Confident1 Ų151.8 Ų51.81%0.00529%0.287CS..EExtended strand (participates in β ladder)trans-85.793.2174.3-67.1-44.7000109.5T29 I138 T142 V157 N158 V159T29-N109 WeakPolarHBondContact OG1-CA 3.37Å; N109-I138 HydrophobicContact CB-CD1 4.01Å; N109-I138 HydrophobicContact CB-CG1 4.02Å; N109-I138 HydrophobicContact CB-CG2 4.03Å; N109-T142 PolarHBondContact ND2-OG1 3.26Å; N109-V157 PolarHBondContact N-O 3.42Å; N109-N158 WeakPolarHBondContact CB-OD1 3.48Å; N109-N158 PolarHBondContact ND2-OD1 2.79Å; N109-V159 PolarHBondContact O-N 3.46Å
110S85.1Confident87.9Confident21 Ų2153.1 Ų53.115%0.14729%0.287CS..  trans-116.8-15.1-177.7-172.70000113.6T29 I108 G112T29-S110 VanDerWaalsContact O-CB 3.27Å; T29-S110 WeakPolarHBondContact O-CB 3.43Å; T29-S110 PolarHBondContact OG1-N 3.08Å; T29-S110 VanDerWaalsContact OG1-N 3.08Å; I108-S110 PolarHBondContact O-N 3.31Å; S110-G112 PolarHBondContact O-N 2.96Å
111A86.6Confident87.9Confident16 Ų1653.4 Ų53.413%0.13230%0.298CS..  trans-59.3127.4172.600000111T29 V84T29-A111 PolarHBondContact O-N 3.44Å; T29-A111 PolarHBondContact OG1-N 2.9Å; V84-A111 HydrophobicContact CG1-CB 4.22Å; V84-A111 HydrophobicContact CG2-CB 3.91Å
112G89Confident88Confident41 Ų4152.9 Ų52.942%0.42330%0.298SS..  trans-170.6161.9179.100000111.9S110 N134S110-G112 PolarHBondContact O-N 2.96Å; G112-N134 WeakPolarHBondContact CA-OD1 3.34Å
113I92.5Very high88.2Confident38 Ų3853.1 Ų53.120%0.19529%0.287CS..  trans-127.6150.7175.556.1169.3000110.1R129 I130 V133 N134 Y174I113-R129 HydrophobicContact CD1-CG 4.48Å; I113-I130 HydrophobicContact CD1-CB 4.35Å; I113-I130 HydrophobicContact CD1-CG1 4.39Å; I113-I130 HydrophobicContact CG1-CG1 4.12Å; I113-V133 HydrophobicContact CD1-CB 4.1Å; I113-V133 HydrophobicContact CD1-CG1 4.46Å; I113-V133 HydrophobicContact CD1-CG2 3.99Å; I113-V133 HydrophobicContact CG1-CB 4Å; I113-V133 HydrophobicContact CG1-CG1 3.96Å; I113-V133 HydrophobicContact CG1-CG2 4.38Å; I113-V133 HydrophobicContact CG2-CG1 4.18Å; I113-N134 PolarHBondContact N-OD1 3.3Å; I113-N134 PolarHBondContact O-ND2 3.03Å; I113-N134 PolarHBondContact O-OD1 3.4Å; I113-Y174 VanDerWaalsContact O-CD2 3.27Å; I113-Y174 WeakPolarHBondContact O-CD2 3.49Å; I113-Y174 WeakPolarHBondContact O-CE2 3.24Å
114I90.7Very high88.6Confident104 Ų10454.4 Ų54.453%0.53330%0.297SS..  trans-99.9142.6164.6-171.1165.9000108.7V171 Y174I114-V171 HydrophobicContact CD1-CG1 4.37Å; I114-V171 HydrophobicContact CG1-CG1 4.45Å; I114-Y174 HydrophobicContact CB-CD2 4.22Å; I114-Y174 HydrophobicContact CB-CE2 4.3Å; I114-Y174 HydrophobicContact CG1-CD1 4.33Å; I114-Y174 HydrophobicContact CG1-CD2 4.14Å; I114-Y174 HydrophobicContact CG1-CE2 4.46Å; I114-Y174 HydrophobicContact CG1-CG 4.08Å
115L89.5Confident89Confident9 Ų960.5 Ų60.55%0.04733%0.326CS..  trans-124.1119.3175-172.8151.3000109.1T122 E126 I130 Y173L115-T122 HydrophobicContact CD2-CG2 3.83Å; L115-E126 HydrophobicContact CD1-CB 3.51Å; L115-E126 HydrophobicContact CD1-CG 3.91Å; L115-E126 WeakPolarHBondContact CD1-O 3.42Å; L115-E126 WeakPolarHBondContact CD1-OE2 3.2Å; L115-I130 HydrophobicContact CB-CD1 3.68Å; L115-Y173 HydrophobicContact CD2-CD2 4.35Å
116N90.6Very high89.8Confident130 Ų13062.3 Ų62.370%0.69533%0.334SS*.  trans-90.2125.2172.3-62.2-37.1000108.8G170 V171N116-G170 CarbonylContact C-O 3.48Å; N116-G170 VanDerWaalsContact CA-O 3.32Å; N116-G170 WeakPolarHBondContact CA-O 3.41Å; N116-V171 WeakPolarHBondContact OD1-CG1 3.5Å
117G87.3Confident90.5Very high17 Ų1764.1 Ų64.118%0.17534%0.341CS..BIsolated β-bridgetrans-178.9146.5-171.600000113.5T122 G170G117-T122 VanDerWaalsContact C-OG1 3.29Å; G117-T122 WeakPolarHBondContact CA-OG1 3.34Å; G117-G170 PolarHBondContact N-O 3.38Å; G117-G170 CarbonylContact O-C 3.49Å; G117-G170 WeakPolarHBondContact O-CA 3.32Å
118S87.7Confident90.9Very high49 Ų4968.2 Ų68.234%0.34336%0.363SS..  trans-95.5137.4172.31730000109.3R120 N121 T122S118-R120 PolarHBondContact O-N 3.17Å; S118-R120 PolarHBondContact OG-N 3.27Å; S118-N121 PolarHBondContact O-N 2.94Å; S118-T122 PolarHBondContact N-OG1 3.12Å; S118-T122 VanDerWaalsContact N-OG1 3.08Å; S118-T122 WeakPolarHBondContact O-CB 3.28Å; S118-T122 PolarHBondContact O-N 3.26Å; S118-T122 PolarHBondContact O-OG1 3.46Å; S118-T122 VanDerWaalsContact O-OG1 3.06Å
119L87.1Confident91.4Very high114 Ų11472.8 Ų72.860%0.59738%0.38SS*.THydrogen-bonded Turntrans-53.7-22.1173.2-72.2176.8000113.5A172 Y173L119-A172 HydrophobicContact CD1-CB 3.93Å; L119-A172 HydrophobicContact CD2-CB 3.61Å; L119-A172 HydrophobicContact CG-CB 3.55Å; L119-Y173 HydrophobicContact CD2-CD1 3.9Å; L119-Y173 HydrophobicContact CD2-CE1 3.39Å
120R89.5Confident91.8Very high220 Ų22072.8 Ų72.883%0.8338%0.38SS*.THydrogen-bonded Turntrans-72.3-33.7178-65.2-174.7174.9100.9-0.1113.7S118S118-R120 PolarHBondContact O-N 3.17Å; S118-R120 PolarHBondContact OG-N 3.27Å
121N92.8Very high92.4Very high136 Ų13673.8 Ų73.873%0.72738%0.382SS*.THydrogen-bonded Turntrans-129-14.5-164.2-60-16.3000113.6S118 P123S118-N121 PolarHBondContact O-N 2.94Å; N121-P123 WeakPolarHBondContact O-CD 3.2Å
122T92.9Very high92.9Very high22 Ų2275.3 Ų75.314%0.13539%0.39CS..SBendtrans-78.6120.2-178.7-60.10000109.9L115 G117 S118 E126 Y173L115-T122 HydrophobicContact CD2-CG2 3.83Å; G117-T122 VanDerWaalsContact C-OG1 3.29Å; G117-T122 WeakPolarHBondContact CA-OG1 3.34Å; S118-T122 PolarHBondContact N-OG1 3.12Å; S118-T122 VanDerWaalsContact N-OG1 3.08Å; S118-T122 WeakPolarHBondContact O-CB 3.28Å; S118-T122 PolarHBondContact O-N 3.26Å; S118-T122 PolarHBondContact O-OG1 3.46Å; S118-T122 VanDerWaalsContact O-OG1 3.06Å; T122-E126 HydrophobicContact CG2-CB 3.73Å; T122-E126 HydrophobicContact CG2-CG 4.2Å; T122-Y173 HydrophobicContact CG2-CD2 3.88Å; T122-Y173 HydrophobicContact CG2-CE2 3.5Å; T122-Y173 VanDerWaalsContact CG2-CE2 3.5Å; T122-Y173 PolarHBondContact O-OH 2.9Å
123P94.7Very high93.2Very high70 Ų7074.4 Ų74.446%0.45538%0.376SS..  trans-59.8157-179.1-22.133.4000112.9N121 E125 E126N121-P123 WeakPolarHBondContact O-CD 3.2Å; P123-E125 VanDerWaalsContact C-N 3.25Å; P123-E125 WeakPolarHBondContact CB-OE2 3.18Å; P123-E125 PolarHBondContact O-N 3.44Å; P123-E126 WeakPolarHBondContact O-CB 3.28Å; P123-E126 PolarHBondContact O-N 3.17Å
124L94.8Very high93.4Very high106 Ų10672.6 Ų72.656%0.55537%0.367SS*.Hα-helixtrans-70-25.8-178.3-169.865.8000111.9E126 F127 D128L124-E126 PolarHBondContact O-N 3.04Å; L124-F127 HydrophobicContact CD1-CB 4.04Å; L124-F127 HydrophobicContact CD1-CD1 4.09Å; L124-F127 HydrophobicContact CD1-CG 4.29Å; L124-F127 WeakPolarHBondContact O-CA 3.43Å; L124-F127 VanDerWaalsContact O-CB 3.23Å; L124-F127 WeakPolarHBondContact O-CB 3.42Å; L124-F127 PolarHBondContact O-N 2.94Å; L124-D128 PolarHBondContact O-N 3.42Å
125E95.8Very high93.7Very high129 Ų12968.3 Ų68.360%0.60335%0.346SS*.Hα-helixtrans-59.2-32.3175.8-62.173.7-164.300111.6P123 D128 R129P123-E125 VanDerWaalsContact C-N 3.25Å; P123-E125 WeakPolarHBondContact CB-OE2 3.18Å; P123-E125 PolarHBondContact O-N 3.44Å; E125-D128 PolarHBondContact O-N 3.28Å; E125-R129 WeakPolarHBondContact O-CB 3.4Å; E125-R129 PolarHBondContact O-N 3.15Å
126E95.5Very high94Very high63 Ų6372.7 Ų72.729%0.29436%0.362SS..Hα-helixtrans-72.1-31.9174.9-83.4-45.711800112.3L115 T122 P123 L124 R129 I130L115-E126 HydrophobicContact CD1-CB 3.51Å; L115-E126 HydrophobicContact CD1-CG 3.91Å; L115-E126 WeakPolarHBondContact CD1-O 3.42Å; L115-E126 WeakPolarHBondContact CD1-OE2 3.2Å; T122-E126 HydrophobicContact CG2-CB 3.73Å; T122-E126 HydrophobicContact CG2-CG 4.2Å; P123-E126 WeakPolarHBondContact O-CB 3.28Å; P123-E126 PolarHBondContact O-N 3.17Å; L124-E126 PolarHBondContact O-N 3.04Å; E126-R129 IonicContact OE1-NE 2.64Å; E126-R129 PolarHBondContact OE1-NE 3.49Å; E126-R129 IonicContact OE2-CZ 2.72Å; E126-R129 IonicContact OE2-NE 3.44Å; E126-R129 PolarHBondContact OE2-NE 3.08Å; E126-R129 IonicContact OE2-NH2 2.82Å; E126-R129 PolarHBondContact OE2-NH2 3Å; E126-I130 WeakPolarHBondContact O-CG2 3.45Å; E126-I130 PolarHBondContact O-N 3.4Å; E126-I130 VanDerWaalsContact O-N 3.1Å
127F96.1Very high94.3Very high54 Ų5466.7 Ų66.724%0.23733%0.33CS..Hα-helixtrans-65.2-46.8169.1173.7-97.8000110.8L124 R129 I130 M131 Y173 I176L124-F127 HydrophobicContact CD1-CB 4.04Å; L124-F127 HydrophobicContact CD1-CD1 4.09Å; L124-F127 HydrophobicContact CD1-CG 4.29Å; L124-F127 WeakPolarHBondContact O-CA 3.43Å; L124-F127 VanDerWaalsContact O-CB 3.23Å; L124-F127 WeakPolarHBondContact O-CB 3.42Å; L124-F127 PolarHBondContact O-N 2.94Å; F127-R129 VanDerWaalsContact C-N 3.31Å; F127-R129 PolarHBondContact O-N 2.93Å; F127-I130 WeakPolarHBondContact O-CG2 3.41Å; F127-I130 PolarHBondContact O-N 2.97Å; F127-M131 HydrophobicContact CD1-CG 4.27Å; F127-M131 HydrophobicContact CD2-CG 4.14Å; F127-M131 HydrophobicContact CE1-CG 3.9Å; F127-M131 HydrophobicContact CE2-CG 3.76Å; F127-M131 HydrophobicContact CE2-SD 4.19Å; F127-M131 HydrophobicContact CG-CG 4.39Å; F127-M131 HydrophobicContact CZ-CG 3.63Å; F127-M131 HydrophobicContact CZ-SD 4.27Å; F127-M131 WeakPolarHBondContact O-CB 3.34Å; F127-M131 VanDerWaalsContact O-CG 3.29Å; F127-M131 WeakPolarHBondContact O-CG 3.38Å; F127-M131 PolarHBondContact O-N 3.42Å; F127-Y173 HydrophobicContact CB-CD1 4.22Å; F127-Y173 HydrophobicContact CB-CD2 3.74Å; F127-Y173 HydrophobicContact CB-CE1 4.2Å; F127-Y173 HydrophobicContact CB-CE2 3.72Å; F127-Y173 HydrophobicContact CB-CG 4.02Å; F127-Y173 AromaticContact CD2-CD1 3.68Å; F127-Y173 HydrophobicContact CD2-CD1 3.68Å; F127-Y173 HydrophobicContact CD2-CD2 4.49Å; F127-Y173 HydrophobicContact CD2-CE1 4.14Å; F127-Y173 AromaticContact CD2-CG 3.9Å; F127-Y173 HydrophobicContact CD2-CG 3.9Å; F127-Y173 HydrophobicContact CG-CD1 4.4Å; F127-Y173 HydrophobicContact CG-CG 4.47Å; F127-I176 HydrophobicContact CE2-CG2 4.01Å
128D96.9Very high94.6Very high86 Ų8666 Ų6646%0.4632%0.322SS..Hα-helixtrans-62-41.1178.2-68-25.8000111.6L124 E125 M131 T132L124-D128 PolarHBondContact O-N 3.42Å; E125-D128 PolarHBondContact O-N 3.28Å; D128-M131 PolarHBondContact O-N 3.11Å; D128-T132 WeakPolarHBondContact O-CB 3.45Å; D128-T132 PolarHBondContact O-N 2.87Å; D128-T132 PolarHBondContact O-OG1 2.91Å
129R96.1Very high95Very high103 Ų10366.1 Ų66.139%0.38932%0.319SS..Hα-helixtrans-61-49.2176.7-171.2179.172.4861.8111.6I113 E125 E126 F127 T132 V133I113-R129 HydrophobicContact CD1-CG 4.48Å; E125-R129 WeakPolarHBondContact O-CB 3.4Å; E125-R129 PolarHBondContact O-N 3.15Å; E126-R129 IonicContact OE1-NE 2.64Å; E126-R129 PolarHBondContact OE1-NE 3.49Å; E126-R129 IonicContact OE2-CZ 2.72Å; E126-R129 IonicContact OE2-NE 3.44Å; E126-R129 PolarHBondContact OE2-NE 3.08Å; E126-R129 IonicContact OE2-NH2 2.82Å; E126-R129 PolarHBondContact OE2-NH2 3Å; F127-R129 VanDerWaalsContact C-N 3.31Å; F127-R129 PolarHBondContact O-N 2.93Å; R129-T132 PolarHBondContact O-N 3.01Å; R129-V133 WeakPolarHBondContact O-CG2 3.36Å; R129-V133 PolarHBondContact O-N 2.8Å
130I96.1Very high95.4Very high0 Ų062.5 Ų62.50%030%0.298CS..Hα-helixtrans-68.8-37.8-179.4-167.7159.5000112.4I113 L115 E126 F127 T132 V133 N134 Y174I113-I130 HydrophobicContact CD1-CB 4.35Å; I113-I130 HydrophobicContact CD1-CG1 4.39Å; I113-I130 HydrophobicContact CG1-CG1 4.12Å; L115-I130 HydrophobicContact CB-CD1 3.68Å; E126-I130 WeakPolarHBondContact O-CG2 3.45Å; E126-I130 PolarHBondContact O-N 3.4Å; E126-I130 VanDerWaalsContact O-N 3.1Å; F127-I130 WeakPolarHBondContact O-CG2 3.41Å; F127-I130 PolarHBondContact O-N 2.97Å; I130-T132 VanDerWaalsContact C-N 3.34Å; I130-V133 PolarHBondContact O-N 2.84Å; I130-N134 HydrophobicContact CG1-CB 4.44Å; I130-N134 WeakPolarHBondContact CG1-ND2 3.47Å; I130-N134 VanDerWaalsContact O-CB 3.27Å; I130-N134 WeakPolarHBondContact O-CB 3.47Å; I130-N134 PolarHBondContact O-N 3.13Å; I130-Y174 HydrophobicContact CD1-CD2 4.02Å; I130-Y174 HydrophobicContact CD1-CG 4.41Å
131M97.6Very high95.7Very high42 Ų4252.1 Ų52.121%0.20726%0.259CS..Hα-helixtrans-67.3-36.9174.8-69.4-58.7-69.100111.6F127 D128 V133 V135 R136 A180F127-M131 HydrophobicContact CD1-CG 4.27Å; F127-M131 HydrophobicContact CD2-CG 4.14Å; F127-M131 HydrophobicContact CE1-CG 3.9Å; F127-M131 HydrophobicContact CE2-CG 3.76Å; F127-M131 HydrophobicContact CE2-SD 4.19Å; F127-M131 HydrophobicContact CG-CG 4.39Å; F127-M131 HydrophobicContact CZ-CG 3.63Å; F127-M131 HydrophobicContact CZ-SD 4.27Å; F127-M131 WeakPolarHBondContact O-CB 3.34Å; F127-M131 VanDerWaalsContact O-CG 3.29Å; F127-M131 WeakPolarHBondContact O-CG 3.38Å; F127-M131 PolarHBondContact O-N 3.42Å; D128-M131 PolarHBondContact O-N 3.11Å; M131-V133 PolarHBondContact O-N 3.29Å; M131-V135 HydrophobicContact CE-CB 4.05Å; M131-V135 HydrophobicContact CE-CG1 4.26Å; M131-V135 HydrophobicContact CE-CG2 3.73Å; M131-V135 WeakPolarHBondContact O-CA 3.5Å; M131-V135 WeakPolarHBondContact O-CB 3.36Å; M131-V135 PolarHBondContact O-N 3.01Å; M131-V135 HydrophobicContact SD-CG2 3.93Å; M131-R136 PolarHBondContact O-N 3.32Å; M131-A180 HydrophobicContact CE-CB 4.17Å
132T97.3Very high95.7Very high48 Ų4845.7 Ų45.729%0.29423%0.225SC..Iπ-helixtrans-60.5-46.4174.5-65.20000111.3T85 D128 R129 I130 S137T85-T132 HydrophobicContact CG2-CG2 4Å; D128-T132 WeakPolarHBondContact O-CB 3.45Å; D128-T132 PolarHBondContact O-N 2.87Å; D128-T132 PolarHBondContact O-OG1 2.91Å; R129-T132 PolarHBondContact O-N 3.01Å; I130-T132 VanDerWaalsContact C-N 3.34Å; T132-S137 WeakPolarHBondContact O-CB 3.35Å; T132-S137 PolarHBondContact O-N 2.81Å
133V95.8Very high95.7Very high22 Ų2250.2 Ų50.213%0.13324%0.244CC..Iπ-helixtrans-76.3-54.4-178.9178.70000111.8T85 I113 R129 I130 M131 S137T85-V133 HydrophobicContact CG2-CB 4.44Å; T85-V133 HydrophobicContact CG2-CG2 3.65Å; I113-V133 HydrophobicContact CD1-CB 4.1Å; I113-V133 HydrophobicContact CD1-CG1 4.46Å; I113-V133 HydrophobicContact CD1-CG2 3.99Å; I113-V133 HydrophobicContact CG1-CB 4Å; I113-V133 HydrophobicContact CG1-CG1 3.96Å; I113-V133 HydrophobicContact CG1-CG2 4.38Å; I113-V133 HydrophobicContact CG2-CG1 4.18Å; R129-V133 WeakPolarHBondContact O-CG2 3.36Å; R129-V133 PolarHBondContact O-N 2.8Å; I130-V133 PolarHBondContact O-N 2.84Å; M131-V133 PolarHBondContact O-N 3.29Å; V133-S137 PolarHBondContact O-OG 3.04Å
134N95.7Very high95.8Very high0 Ų048.8 Ų48.80%023%0.233CC..Iπ-helixtrans-83-15.3-168.8-69.61.2000114.2G112 I113 I130 I138 S177G112-N134 WeakPolarHBondContact CA-OD1 3.34Å; I113-N134 PolarHBondContact N-OD1 3.3Å; I113-N134 PolarHBondContact O-ND2 3.03Å; I113-N134 PolarHBondContact O-OD1 3.4Å; I130-N134 HydrophobicContact CG1-CB 4.44Å; I130-N134 WeakPolarHBondContact CG1-ND2 3.47Å; I130-N134 VanDerWaalsContact O-CB 3.27Å; I130-N134 WeakPolarHBondContact O-CB 3.47Å; I130-N134 PolarHBondContact O-N 3.13Å; N134-I138 WeakPolarHBondContact O-CD1 3.41Å; N134-S177 PolarHBondContact ND2-OG 3.34Å
135V96.9Very high95.7Very high14 Ų1443.8 Ų43.89%0.08521%0.207CC..Iπ-helixtrans-128.1-63.7-175.1-176.60000111.4M131 S137 I138 I139 S177 A180M131-V135 HydrophobicContact CE-CB 4.05Å; M131-V135 HydrophobicContact CE-CG1 4.26Å; M131-V135 HydrophobicContact CE-CG2 3.73Å; M131-V135 WeakPolarHBondContact O-CA 3.5Å; M131-V135 WeakPolarHBondContact O-CB 3.36Å; M131-V135 PolarHBondContact O-N 3.01Å; M131-V135 HydrophobicContact SD-CG2 3.93Å; V135-S137 VanDerWaalsContact C-N 3.33Å; V135-S137 PolarHBondContact O-N 3.36Å; V135-I138 PolarHBondContact O-N 3.1Å; V135-I138 VanDerWaalsContact O-N 3.11Å; V135-I139 HydrophobicContact CG1-CD1 3.67Å; V135-I139 HydrophobicContact CG1-CG1 4.36Å; V135-I139 WeakPolarHBondContact O-CG1 3.42Å; V135-I139 PolarHBondContact O-N 3.35Å; V135-S177 WeakPolarHBondContact CG2-O 3.17Å; V135-A180 HydrophobicContact CG2-CB 4Å
136R97.4Very high95.4Very high102 Ų10239.4 Ų39.439%0.38519%0.187SC..Iπ-helixtrans-57.4-44.7-174.8-175.3-169.9165.9-75-0.5112.1N87 M131 I138 I139 H140N87-R136 PolarHBondContact ND2-NH2 3.08Å; N87-R136 PolarHBondContact OD1-NH1 3.42Å; N87-R136 VanDerWaalsContact OD1-NH1 3.12Å; N87-R136 PolarHBondContact OD1-NH2 2.9Å; M131-R136 PolarHBondContact O-N 3.32Å; R136-I138 VanDerWaalsContact C-N 3.3Å; R136-I138 PolarHBondContact O-N 3.24Å; R136-I139 PolarHBondContact O-N 2.91Å; R136-H140 WeakPolarHBondContact O-CB 3.1Å; R136-H140 PolarHBondContact O-N 3.05Å
137S95.8Very high95.3Very high3 Ų340.1 Ų40.12%0.02120%0.197CC..Hα-helixtrans-59.6-41.7179.681.60000112.3V84 T132 V133 V135 L141V84-S137 VanDerWaalsContact O-CB 3.25Å; V84-S137 WeakPolarHBondContact O-CB 3.48Å; T132-S137 WeakPolarHBondContact O-CB 3.35Å; T132-S137 PolarHBondContact O-N 2.81Å; V133-S137 PolarHBondContact O-OG 3.04Å; V135-S137 VanDerWaalsContact C-N 3.33Å; V135-S137 PolarHBondContact O-N 3.36Å; S137-L141 WeakPolarHBondContact O-CB 3.33Å; S137-L141 PolarHBondContact O-N 3.33Å
138I94.1Very high95Very high3 Ų341.1 Ų41.12%0.01520%0.2CC..Hα-helixtrans-67.6-48.4179.5-66.5-178.1000110.3N109 N134 V135 R136 H140 L141 T142 L181 F184N109-I138 HydrophobicContact CB-CD1 4.01Å; N109-I138 HydrophobicContact CB-CG1 4.02Å; N109-I138 HydrophobicContact CB-CG2 4.03Å; N134-I138 WeakPolarHBondContact O-CD1 3.41Å; V135-I138 PolarHBondContact O-N 3.1Å; V135-I138 VanDerWaalsContact O-N 3.11Å; R136-I138 VanDerWaalsContact C-N 3.3Å; R136-I138 PolarHBondContact O-N 3.24Å; I138-H140 VanDerWaalsContact C-N 3.33Å; I138-H140 PolarHBondContact O-N 3.45Å; I138-L141 PolarHBondContact O-N 2.9Å; I138-T142 VanDerWaalsContact O-CB 3.24Å; I138-T142 WeakPolarHBondContact O-CB 3.43Å; I138-T142 PolarHBondContact O-N 3.49Å; I138-T142 PolarHBondContact O-OG1 3.09Å; I138-L181 HydrophobicContact CB-CD1 4.44Å; I138-L181 HydrophobicContact CD1-CD1 3.68Å; I138-L181 HydrophobicContact CD1-CD2 3.89Å; I138-L181 HydrophobicContact CD1-CG 4.45Å; I138-L181 HydrophobicContact CG2-CD1 3.9Å; I138-F184 HydrophobicContact CG2-CD1 4.29Å; I138-F184 HydrophobicContact CG2-CE1 3.92Å
139I96Very high94.4Very high52 Ų5237 Ų3727%0.26718%0.178SC..Hα-helixtrans-56.5-50.5177.7-66.3173000110V135 R136 T142 Q143 F184V135-I139 HydrophobicContact CG1-CD1 3.67Å; V135-I139 HydrophobicContact CG1-CG1 4.36Å; V135-I139 WeakPolarHBondContact O-CG1 3.42Å; V135-I139 PolarHBondContact O-N 3.35Å; R136-I139 PolarHBondContact O-N 2.91Å; I139-T142 PolarHBondContact O-N 3.19Å; I139-Q143 HydrophobicContact CG2-CG 4.46Å; I139-Q143 WeakPolarHBondContact O-CB 3.43Å; I139-Q143 VanDerWaalsContact O-CG 3.32Å; I139-Q143 WeakPolarHBondContact O-CG 3.45Å; I139-Q143 PolarHBondContact O-N 3.42Å; I139-F184 HydrophobicContact CB-CE2 4.34Å; I139-F184 HydrophobicContact CB-CZ 4.33Å; I139-F184 HydrophobicContact CD1-CD2 4.25Å; I139-F184 HydrophobicContact CG1-CD1 4.27Å; I139-F184 HydrophobicContact CG1-CD2 3.77Å; I139-F184 HydrophobicContact CG1-CE1 4.19Å; I139-F184 HydrophobicContact CG1-CE2 3.69Å; I139-F184 HydrophobicContact CG1-CG 4.06Å; I139-F184 HydrophobicContact CG1-CZ 3.9Å; I139-F184 HydrophobicContact CG2-CE2 4.31Å
140H95.9Very high93.8Very high38 Ų3835.5 Ų35.518%0.17618%0.177CC..Hα-helixtrans-63.2-46.7-177.4-178.351000112.3N87 R136 I138 Q143 L144N87-H140 WeakPolarHBondContact CB-NE2 3.1Å; N87-H140 PolarHBondContact OD1-CD2 2.97Å; R136-H140 WeakPolarHBondContact O-CB 3.1Å; R136-H140 PolarHBondContact O-N 3.05Å; I138-H140 VanDerWaalsContact C-N 3.33Å; I138-H140 PolarHBondContact O-N 3.45Å; H140-Q143 PolarHBondContact O-N 2.58Å; H140-L144 WeakPolarHBondContact O-CG 3.4Å; H140-L144 PolarHBondContact O-N 2.92Å; H140-L144 VanDerWaalsContact O-N 3.13Å
141L94.8Very high93.3Very high2 Ų243.1 Ų43.11%0.0121%0.213CC..Hα-helixtrans-62.1-45176.8173.957.3000111.4T29 W53 V90 L107 S137 I138 Q143 L144 C145T29-L141 HydrophobicContact CG2-CD2 3.34Å; W53-L141 HydrophobicContact CH2-CD1 3.95Å; W53-L141 HydrophobicContact CZ3-CD1 3.87Å; W53-L141 HydrophobicContact CZ3-CD2 4.42Å; V90-L141 HydrophobicContact CG1-CB 4.3Å; V90-L141 HydrophobicContact CG1-CD1 3.88Å; L107-L141 HydrophobicContact CD1-CD2 3.91Å; L107-L141 HydrophobicContact CD1-CG 4.1Å; L107-L141 HydrophobicContact CD2-CG 4.37Å; S137-L141 WeakPolarHBondContact O-CB 3.33Å; S137-L141 PolarHBondContact O-N 3.33Å; I138-L141 PolarHBondContact O-N 2.9Å; L141-Q143 VanDerWaalsContact C-N 3.35Å; L141-Q143 PolarHBondContact O-N 3.28Å; L141-L144 PolarHBondContact O-N 3.36Å; L141-C145 WeakPolarHBondContact O-CB 3.34Å; L141-C145 PolarHBondContact O-N 2.94Å; L141-C145 PolarHBondContact O-SG 2.96Å
142T92.6Very high92.5Very high0 Ų042.7 Ų42.70%021%0.213CC..Hα-helixtrans-58.6-45.8176.2-74.90000111.4N109 I138 I139 L144 C145 I146 I156 F184 L188N109-T142 PolarHBondContact ND2-OG1 3.26Å; I138-T142 VanDerWaalsContact O-CB 3.24Å; I138-T142 WeakPolarHBondContact O-CB 3.43Å; I138-T142 PolarHBondContact O-N 3.49Å; I138-T142 PolarHBondContact O-OG1 3.09Å; I139-T142 PolarHBondContact O-N 3.19Å; T142-L144 VanDerWaalsContact C-N 3.31Å; T142-L144 PolarHBondContact O-N 2.9Å; T142-C145 PolarHBondContact O-N 3.13Å; T142-I146 HydrophobicContact CG2-CD1 4.19Å; T142-I146 HydrophobicContact CG2-CG1 4.26Å; T142-I146 WeakPolarHBondContact O-CG1 3.35Å; T142-I146 PolarHBondContact O-N 3.39Å; T142-I156 HydrophobicContact CG2-CD1 3.9Å; T142-F184 HydrophobicContact CG2-CE1 4.46Å; T142-F184 HydrophobicContact CG2-CZ 3.94Å; T142-L188 HydrophobicContact CG2-CD1 3.7Å; T142-L188 HydrophobicContact CG2-CD2 3.65Å; T142-L188 HydrophobicContact CG2-CG 4.33Å
143Q94.9Very high91.6Very high117 Ų11746.1 Ų46.155%0.54722%0.224SC..Hα-helixtrans-55.7-44.5176.2-76.9174.6-26.400112.6I139 H140 L141 C145I139-Q143 HydrophobicContact CG2-CG 4.46Å; I139-Q143 WeakPolarHBondContact O-CB 3.43Å; I139-Q143 VanDerWaalsContact O-CG 3.32Å; I139-Q143 WeakPolarHBondContact O-CG 3.45Å; I139-Q143 PolarHBondContact O-N 3.42Å; H140-Q143 PolarHBondContact O-N 2.58Å; L141-Q143 VanDerWaalsContact C-N 3.35Å; L141-Q143 PolarHBondContact O-N 3.28Å; Q143-C145 VanDerWaalsContact C-N 3.3Å; Q143-C145 PolarHBondContact O-N 3.04Å
144L95.4Very high90.6Very high41 Ų4145.2 Ų45.222%0.21522%0.219CC..Hα-helixtrans-66.9-31.7177.4-68.1174.5000112.7V90 K91 L94 H140 L141 T142 Y148V90-L144 HydrophobicContact CG1-CD1 3.84Å; K91-L144 HydrophobicContact CD-CD1 4.48Å; K91-L144 HydrophobicContact CD-CD2 4.37Å; L94-L144 HydrophobicContact CD2-CB 3.69Å; H140-L144 WeakPolarHBondContact O-CG 3.4Å; H140-L144 PolarHBondContact O-N 2.92Å; H140-L144 VanDerWaalsContact O-N 3.13Å; L141-L144 PolarHBondContact O-N 3.36Å; T142-L144 VanDerWaalsContact C-N 3.31Å; T142-L144 PolarHBondContact O-N 2.9Å; L144-Y148 WeakPolarHBondContact O-CE2 3.48Å
145C92.6Very high89.6Confident1 Ų146.6 Ų46.61%0.00723%0.228CC..Hα-helixtrans-85.3-22.5-177.4-71.10000114.1L104 L107 L141 T142 Q143 Y148 L149L104-C145 HydrophobicContact CD2-CB 3.68Å; L104-C145 VanDerWaalsContact CD2-SG 3.54Å; L107-C145 HydrophobicContact CD2-CB 3.93Å; L141-C145 WeakPolarHBondContact O-CB 3.34Å; L141-C145 PolarHBondContact O-N 2.94Å; L141-C145 PolarHBondContact O-SG 2.96Å; T142-C145 PolarHBondContact O-N 3.13Å; Q143-C145 VanDerWaalsContact C-N 3.3Å; Q143-C145 PolarHBondContact O-N 3.04Å; C145-Y148 PolarHBondContact O-N 3.38Å; C145-Y148 VanDerWaalsContact O-N 3.13Å; C145-L149 HydrophobicContact CB-CD1 3.72Å; C145-L149 HydrophobicContact CB-CG 4.35Å; C145-L149 WeakPolarHBondContact O-CG 3.48Å; C145-L149 PolarHBondContact O-N 3.35Å
146I91.1Very high88.8Confident37 Ų3745.9 Ų45.919%0.1922%0.224CC..Hα-helixtrans-48.9-50.5-175.2-84.1164.9000113T142 Y148 L149 I150 L188 L192T142-I146 HydrophobicContact CG2-CD1 4.19Å; T142-I146 HydrophobicContact CG2-CG1 4.26Å; T142-I146 WeakPolarHBondContact O-CG1 3.35Å; T142-I146 PolarHBondContact O-N 3.39Å; I146-Y148 VanDerWaalsContact C-N 3.28Å; I146-Y148 PolarHBondContact O-N 3.13Å; I146-L149 PolarHBondContact O-N 2.87Å; I146-L149 VanDerWaalsContact O-N 3.16Å; I146-I150 HydrophobicContact CG2-CD1 3.62Å; I146-I150 HydrophobicContact CG2-CG1 4.25Å; I146-I150 WeakPolarHBondContact O-CG1 3.4Å; I146-I150 PolarHBondContact O-N 3.47Å; I146-L188 HydrophobicContact CD1-CD1 4.05Å; I146-L192 HydrophobicContact CD1-CD1 4.5Å; I146-L192 HydrophobicContact CD1-CD2 4.24Å; I146-L192 HydrophobicContact CG1-CD1 4.11Å; I146-L192 HydrophobicContact CG1-CD2 4.26Å; I146-L192 HydrophobicContact CG2-CD2 4.09Å
147P91.7Very high87.9Confident78 Ų7841.4 Ų41.451%0.50621%0.208SC..Hα-helixtrans-58.2-40.9-177.4-26.335.6000113Q151P147-Q151 PolarHBondContact O-N 3.36Å; P147-Q151 VanDerWaalsContact O-N 3.15Å
148Y90.7Very high87.3Confident74 Ų7441.3 Ų41.329%0.2921%0.207SC..Hα-helixtrans-73.5-35.2-179.7-51.1-72000112.2L94 L98 L144 C145 I146 Q151 S152L94-Y148 HydrophobicContact CD2-CE2 4.2Å; L98-Y148 HydrophobicContact CD1-CD1 4.03Å; L98-Y148 HydrophobicContact CD1-CD2 4.01Å; L98-Y148 HydrophobicContact CD1-CE1 3.56Å; L98-Y148 HydrophobicContact CD1-CE2 3.53Å; L98-Y148 HydrophobicContact CD1-CG 4.23Å; L98-Y148 HydrophobicContact CD2-CD1 3.85Å; L98-Y148 HydrophobicContact CD2-CD2 4.43Å; L98-Y148 HydrophobicContact CD2-CE1 4.17Å; L98-Y148 HydrophobicContact CD2-CG 3.98Å; L144-Y148 WeakPolarHBondContact O-CE2 3.48Å; C145-Y148 PolarHBondContact O-N 3.38Å; C145-Y148 VanDerWaalsContact O-N 3.13Å; I146-Y148 VanDerWaalsContact C-N 3.28Å; I146-Y148 PolarHBondContact O-N 3.13Å; Y148-Q151 PolarHBondContact O-N 3.16Å; Y148-S152 WeakPolarHBondContact O-CB 3.45Å; Y148-S152 PolarHBondContact O-N 3.11Å; Y148-S152 PolarHBondContact O-OG 3.44Å; Y148-S152 VanDerWaalsContact O-OG 3.07Å
149L84.2Confident86.6Confident0 Ų042.1 Ų42.10%021%0.212CC..Hα-helixtrans-71.1-36.9176.4-70.6165000111.9L104 L107 C145 I146 S152 K153 G154 I156L104-L149 HydrophobicContact CD2-CD2 4.24Å; L104-L149 HydrophobicContact CD2-CG 4.12Å; L104-L149 HydrophobicContact CG-CD2 4.03Å; L104-L149 HydrophobicContact CG-CG 4.38Å; L107-L149 HydrophobicContact CB-CD1 4.24Å; L107-L149 HydrophobicContact CB-CD2 4.47Å; L107-L149 HydrophobicContact CD2-CD1 4.36Å; C145-L149 HydrophobicContact CB-CD1 3.72Å; C145-L149 HydrophobicContact CB-CG 4.35Å; C145-L149 WeakPolarHBondContact O-CG 3.48Å; C145-L149 PolarHBondContact O-N 3.35Å; I146-L149 PolarHBondContact O-N 2.87Å; I146-L149 VanDerWaalsContact O-N 3.16Å; L149-S152 WeakPolarHBondContact CA-OG 3.47Å; L149-S152 PolarHBondContact O-N 2.87Å; L149-S152 PolarHBondContact O-OG 2.75Å; L149-K153 CarbonylContact O-C 3.57Å; L149-K153 WeakPolarHBondContact O-CA 3.37Å; L149-K153 PolarHBondContact O-N 3.22Å; L149-G154 PolarHBondContact O-N 3.11Å; L149-I156 HydrophobicContact CD1-CD1 3.66Å; L149-I156 HydrophobicContact CD1-CG1 3.49Å; L149-I156 VanDerWaalsContact CD1-CG1 3.49Å
150I83.6Confident86Confident72 Ų7240.2 Ų40.237%0.36920%0.203SC..Hα-helixtrans-62.3-48171.9-70.2171.5000109.6V8 I146 S152 K153 L192V8-I150 HydrophobicContact CG2-CG1 4.09Å; I146-I150 HydrophobicContact CG2-CD1 3.62Å; I146-I150 HydrophobicContact CG2-CG1 4.25Å; I146-I150 WeakPolarHBondContact O-CG1 3.4Å; I146-I150 PolarHBondContact O-N 3.47Å; I150-S152 VanDerWaalsContact C-N 3.31Å; I150-S152 PolarHBondContact O-N 3.39Å; I150-K153 PolarHBondContact O-N 3.18Å; I150-L192 HydrophobicContact CD1-CD2 4.46Å
151Q84.5Confident85.2Confident160 Ų16039.5 Ų39.575%0.74820%0.202SC*.Hα-helixtrans-59.3-41179.4-175.2-177.2-4.700112.4P147 Y148P147-Q151 PolarHBondContact O-N 3.36Å; P147-Q151 VanDerWaalsContact O-N 3.15Å; Y148-Q151 PolarHBondContact O-N 3.16Å
152S82.5Confident84.4Confident32 Ų3243 Ų4322%0.22422%0.224CC..Hα-helixtrans-85.1-9.5-179.366.50000114.3L104 Y148 L149 I150 G154L104-S152 VanDerWaalsContact O-CB 3.26Å; L104-S152 WeakPolarHBondContact O-CB 3.49Å; L104-S152 PolarHBondContact O-OG 3.2Å; Y148-S152 WeakPolarHBondContact O-CB 3.45Å; Y148-S152 PolarHBondContact O-N 3.11Å; Y148-S152 PolarHBondContact O-OG 3.44Å; Y148-S152 VanDerWaalsContact O-OG 3.07Å; L149-S152 WeakPolarHBondContact CA-OG 3.47Å; L149-S152 PolarHBondContact O-N 2.87Å; L149-S152 PolarHBondContact O-OG 2.75Å; I150-S152 VanDerWaalsContact C-N 3.31Å; I150-S152 PolarHBondContact O-N 3.39Å; S152-G154 PolarHBondContact OG-N 2.58Å
153K78.1Confident84Confident120 Ų12043.2 Ų43.252%0.52223%0.226SC..THydrogen-bonded Turntrans55.344.4-165.7-53.9179.1-176.7-174.90111.5K5 L149 I150K5-K153 WeakPolarHBondContact O-CE 3.47Å; L149-K153 CarbonylContact O-C 3.57Å; L149-K153 WeakPolarHBondContact O-CA 3.37Å; L149-K153 PolarHBondContact O-N 3.22Å; I150-K153 PolarHBondContact O-N 3.18Å
154G73.9Confident83.4Confident3 Ų338.6 Ų38.63%0.03121%0.207CC..  trans-73.1-175.9-169.400000114.9V8 S9 D105 L149 S152V8-G154 WeakPolarHBondContact CA-O 3.22Å; V8-G154 WeakPolarHBondContact CG1-O 3.43Å; S9-G154 PolarHBondContact N-O 3.3Å; D105-G154 CarbonylContact O-C 3.59Å; D105-G154 WeakPolarHBondContact O-CA 3.49Å; L149-G154 PolarHBondContact O-N 3.11Å; S152-G154 PolarHBondContact OG-N 2.58Å
155T76.1Confident82.8Confident29 Ų2941.4 Ų41.418%0.17823%0.229CC..EExtended strand (participates in β ladder)trans-127.2135.1178.3-59.70000111.3S9 I11 D105 I106 L107 V157S9-T155 CarbonylContact O-C 3.56Å; S9-T155 WeakPolarHBondContact O-CA 3.27Å; S9-T155 WeakPolarHBondContact O-CG2 3.13Å; I11-T155 HydrophobicContact CD1-CG2 4.13Å; I11-T155 HydrophobicContact CG1-CG2 4.47Å; D105-T155 PolarHBondContact O-N 2.86Å; I106-T155 CarbonylContact C-O 3.35Å; I106-T155 WeakPolarHBondContact CA-O 3.12Å; L107-T155 PolarHBondContact N-O 2.95Å; T155-V157 HydrophobicContact CG2-CG2 4.03Å
156I78.1Confident82.2Confident0 Ų044 Ų440%025%0.247CC..EExtended strand (participates in β ladder)trans-105.6127.6171-58.5172.2000108.6S9 I10 I11 L107 T142 L149 L188 L192S9-I156 PolarHBondContact O-N 3.33Å; I10-I156 WeakPolarHBondContact CA-O 3.46Å; I10-I156 HydrophobicContact CG2-CB 4.43Å; I11-I156 PolarHBondContact N-O 3Å; L107-I156 HydrophobicContact CB-CG1 4.43Å; L107-I156 HydrophobicContact CD2-CG1 4.5Å; L107-I156 HydrophobicContact CD2-CG2 4.41Å; L107-I156 CarbonylContact O-C 3.6Å; L107-I156 WeakPolarHBondContact O-CA 3.44Å; T142-I156 HydrophobicContact CG2-CD1 3.9Å; L149-I156 HydrophobicContact CD1-CD1 3.66Å; L149-I156 HydrophobicContact CD1-CG1 3.49Å; L149-I156 VanDerWaalsContact CD1-CG1 3.49Å; I156-L188 HydrophobicContact CD1-CD2 3.7Å; I156-L188 HydrophobicContact CG2-CD2 4.36Å; I156-L192 HydrophobicContact CD1-CD1 4.3Å
157V78.9Confident81.9Confident8 Ų846.8 Ų46.85%0.04828%0.276CS..EExtended strand (participates in β ladder)trans-118.4118.7175.7-175.60000109.6I11 V13 F18 L107 I108 N109 T155I11-V157 CarbonylContact O-C 3.44Å; I11-V157 VanDerWaalsContact O-CA 3.28Å; I11-V157 WeakPolarHBondContact O-CA 3.02Å; V13-V157 HydrophobicContact CB-CG1 4.44Å; V13-V157 HydrophobicContact CG2-CG1 3.66Å; F18-V157 HydrophobicContact CZ-CG2 4.4Å; L107-V157 PolarHBondContact O-N 2.96Å; I108-V157 WeakPolarHBondContact CA-O 3.42Å; I108-V157 HydrophobicContact CG1-CB 4.31Å; I108-V157 HydrophobicContact CG2-CB 4.45Å; N109-V157 PolarHBondContact N-O 3.42Å; T155-V157 HydrophobicContact CG2-CG2 4.03Å
158N83.6Confident81.5Confident0 Ų048.1 Ų48.10%027%0.271CS..EExtended strand (participates in β ladder)trans-102.5120.9174.8-66.2-29.9000109.9I11 T12 V13 N109 S160 L181 T185I11-N158 PolarHBondContact O-N 3.18Å; T12-N158 WeakPolarHBondContact CA-O 3.21Å; V13-N158 PolarHBondContact N-O 3.07Å; N109-N158 WeakPolarHBondContact CB-OD1 3.48Å; N109-N158 PolarHBondContact ND2-OD1 2.79Å; N158-S160 PolarHBondContact O-N 2.97Å; N158-L181 HydrophobicContact CB-CD1 4.04Å; N158-L181 HydrophobicContact CB-CD2 4.39Å; N158-L181 HydrophobicContact CB-CG 4.24Å; N158-T185 PolarHBondContact ND2-OG1 2.79Å
159V80.5Confident81.3Confident21 Ų2150.7 Ų50.713%0.12730%0.297CS..EExtended strand (participates in β ladder)trans-82104.7175.8-178.40000109I35 I108 N109 K178I35-V159 HydrophobicContact CD1-CG1 4Å; I108-V159 HydrophobicContact CG2-CG2 4.42Å; N109-V159 PolarHBondContact O-N 3.46Å; V159-K178 PolarHBondContact O-NZ 3.15Å
160S83Confident81.6Confident11 Ų1152.5 Ų52.58%0.07732%0.316CS..  trans-100.7-150179.4-163.70000111.3V13 N158 D182V13-S160 PolarHBondContact O-N 2.72Å; N158-S160 PolarHBondContact O-N 2.97Å; S160-D182 WeakPolarHBondContact CB-OD1 3.45Å; S160-D182 PolarHBondContact OG-OD1 3.15Å
161S79.4Confident82Confident23 Ų2350 Ų5016%0.16130%0.304CS..  trans-158155-178.5-175.30000109.9A163 S164 Y174S161-A163 PolarHBondContact O-N 3.29Å; S161-A163 PolarHBondContact OG-N 2.92Å; S161-S164 WeakPolarHBondContact O-CB 3.31Å; S161-S164 PolarHBondContact O-N 2.83Å; S161-S164 PolarHBondContact O-OG 3.05Å; S161-Y174 WeakPolarHBondContact CB-OH 3.37Å; S161-Y174 PolarHBondContact OG-OH 3.33Å
162T77.1Confident82.4Confident77 Ų7743.4 Ų43.447%0.47228%0.277SS..G310 helixtrans-56.3-21.8167.956.90000112.6S164 S165 C166 Y168T162-S164 PolarHBondContact O-N 3.35Å; T162-S165 PolarHBondContact O-N 3.5Å; T162-S165 PolarHBondContact O-OG 2.94Å; T162-C166 WeakPolarHBondContact O-CB 3.38Å; T162-C166 PolarHBondContact O-N 2.78Å; T162-Y168 PolarHBondContact OG1-OH 3.06Å
163A83.3Confident83Confident3 Ų343.2 Ų43.23%0.02527%0.271CS..G310 helixtrans-63.6-10.517100000114.5S161 C166 Y168 Y174 C175S161-A163 PolarHBondContact O-N 3.29Å; S161-A163 PolarHBondContact OG-N 2.92Å; A163-C166 CarbonylContact C-O 2.97Å; A163-C166 WeakPolarHBondContact CA-O 3.25Å; A163-C166 VanDerWaalsContact O-O 3.11Å; A163-Y168 HydrophobicContact CB-CD2 3.94Å; A163-Y168 HydrophobicContact CB-CE2 3.98Å; A163-Y174 HydrophobicContact CB-CD1 3.79Å; A163-Y174 HydrophobicContact CB-CE1 3.53Å; A163-C175 VanDerWaalsContact O-CA 3.26Å; A163-C175 WeakPolarHBondContact O-CA 3.46Å; A163-C175 WeakPolarHBondContact O-CB 3.43Å
164S83.8Confident83.8Confident21 Ų2139.1 Ų39.115%0.14725%0.253CS..G310 helixtrans-72.3-33.9173.1690000112.8S161 T162 K178 A179 D182S161-S164 WeakPolarHBondContact O-CB 3.31Å; S161-S164 PolarHBondContact O-N 2.83Å; S161-S164 PolarHBondContact O-OG 3.05Å; T162-S164 PolarHBondContact O-N 3.35Å; S164-K178 VanDerWaalsContact CB-C 3.43Å; S164-K178 WeakPolarHBondContact CB-O 3.27Å; S164-A179 WeakPolarHBondContact O-CB 3.47Å; S164-D182 VanDerWaalsContact CB-CG 3.43Å; S164-D182 WeakPolarHBondContact CB-OD2 3.37Å; S164-D182 PolarHBondContact OG-OD2 3.48Å
165S82.5Confident84.6Confident99 Ų9939.6 Ų39.669%0.69226%0.256SS*.THydrogen-bonded Turntrans-104.6-20.3-17959.60000112.9T162T162-S165 PolarHBondContact O-N 3.5Å; T162-S165 PolarHBondContact O-OG 2.94Å
166C79.3Confident85.5Confident57 Ų5741.9 Ų41.939%0.38527%0.266SS..SBendtrans-117.4133-177.9-59.50000110.8T162 A163 Y168 C175T162-C166 WeakPolarHBondContact O-CB 3.38Å; T162-C166 PolarHBondContact O-N 2.78Å; A163-C166 CarbonylContact C-O 2.97Å; A163-C166 WeakPolarHBondContact CA-O 3.25Å; A163-C166 VanDerWaalsContact O-O 3.11Å; C166-Y168 HydrophobicContact CB-CE2 3.84Å; C166-C175 PolarHBondContact O-SG 2.58Å
167A84.9Confident86.4Confident95 Ų9541.9 Ų41.979%0.78527%0.266SS*.  trans-79.9135.8169.800000110.3
168Y83.4Confident87.1Confident106 Ų10642 Ų4242%0.41627%0.266SS..  trans-124.4134.1172.7-62.6-80.1000109.7T162 A163 C166 V171T162-Y168 PolarHBondContact OG1-OH 3.06Å; A163-Y168 HydrophobicContact CB-CD2 3.94Å; A163-Y168 HydrophobicContact CB-CE2 3.98Å; C166-Y168 HydrophobicContact CB-CE2 3.84Å; Y168-V171 VanDerWaalsContact CB-CG2 3.5Å; Y168-V171 WeakPolarHBondContact O-CG2 3.29Å; Y168-V171 PolarHBondContact O-N 3.04Å
169P86.7Confident87.5Confident128 Ų12844 Ų4483%0.83128%0.282SS*.THydrogen-bonded Turntrans-62.7143.6176.227.3-34000110.4V171P169-V171 VanDerWaalsContact C-N 3.31Å; P169-V171 PolarHBondContact O-N 3.33Å
170G91.4Very high88.3Confident38 Ų3844.5 Ų44.539%0.39229%0.288SS..THydrogen-bonded Turntrans78.95.1177.500000115.4N116 G117N116-G170 CarbonylContact C-O 3.48Å; N116-G170 VanDerWaalsContact CA-O 3.32Å; N116-G170 WeakPolarHBondContact CA-O 3.41Å; G117-G170 PolarHBondContact N-O 3.38Å; G117-G170 CarbonylContact O-C 3.49Å; G117-G170 WeakPolarHBondContact O-CA 3.32Å
171V91.7Very high88.7Confident19 Ų1944 Ų4412%0.11529%0.285CS..BIsolated β-bridgetrans-142.131.9176.8-66.10000112.3I114 N116 Y168 P169 Y173 Y174 C175I114-V171 HydrophobicContact CD1-CG1 4.37Å; I114-V171 HydrophobicContact CG1-CG1 4.45Å; N116-V171 WeakPolarHBondContact OD1-CG1 3.5Å; Y168-V171 VanDerWaalsContact CB-CG2 3.5Å; Y168-V171 WeakPolarHBondContact O-CG2 3.29Å; Y168-V171 PolarHBondContact O-N 3.04Å; P169-V171 VanDerWaalsContact C-N 3.31Å; P169-V171 PolarHBondContact O-N 3.33Å; V171-Y173 PolarHBondContact O-N 3.02Å; V171-Y174 WeakPolarHBondContact O-CA 3.27Å; V171-Y174 WeakPolarHBondContact O-CB 3.47Å; V171-Y174 PolarHBondContact O-N 2.7Å; V171-C175 PolarHBondContact O-N 2.88Å
172A92.5Very high89.2Confident22 Ų2244.5 Ų44.518%0.18229%0.286CS..Hα-helixtrans-56.2-46.1-171.300000113.6L119 Y174 C175 I176L119-A172 HydrophobicContact CD1-CB 3.93Å; L119-A172 HydrophobicContact CD2-CB 3.61Å; L119-A172 HydrophobicContact CG-CB 3.55Å; A172-Y174 VanDerWaalsContact C-N 3.28Å; A172-Y174 PolarHBondContact O-N 3.32Å; A172-C175 WeakPolarHBondContact O-CB 3.33Å; A172-C175 PolarHBondContact O-N 3.04Å; A172-I176 WeakPolarHBondContact O-CG1 3.36Å; A172-I176 PolarHBondContact O-N 2.74Å
173Y95.2Very high89.9Confident28 Ų2845.9 Ų45.911%0.1129%0.287CS..Hα-helixtrans-65.2-32177.9-59.6-23.1000112.5L115 L119 T122 F127 V171 I176 S177L115-Y173 HydrophobicContact CD2-CD2 4.35Å; L119-Y173 HydrophobicContact CD2-CD1 3.9Å; L119-Y173 HydrophobicContact CD2-CE1 3.39Å; T122-Y173 HydrophobicContact CG2-CD2 3.88Å; T122-Y173 HydrophobicContact CG2-CE2 3.5Å; T122-Y173 VanDerWaalsContact CG2-CE2 3.5Å; T122-Y173 PolarHBondContact O-OH 2.9Å; F127-Y173 HydrophobicContact CB-CD1 4.22Å; F127-Y173 HydrophobicContact CB-CD2 3.74Å; F127-Y173 HydrophobicContact CB-CE1 4.2Å; F127-Y173 HydrophobicContact CB-CE2 3.72Å; F127-Y173 HydrophobicContact CB-CG 4.02Å; F127-Y173 AromaticContact CD2-CD1 3.68Å; F127-Y173 HydrophobicContact CD2-CD1 3.68Å; F127-Y173 HydrophobicContact CD2-CD2 4.49Å; F127-Y173 HydrophobicContact CD2-CE1 4.14Å; F127-Y173 AromaticContact CD2-CG 3.9Å; F127-Y173 HydrophobicContact CD2-CG 3.9Å; F127-Y173 HydrophobicContact CG-CD1 4.4Å; F127-Y173 HydrophobicContact CG-CG 4.47Å; V171-Y173 PolarHBondContact O-N 3.02Å; Y173-I176 HydrophobicContact CD1-CD1 4.37Å; Y173-S177 WeakPolarHBondContact O-CB 3.43Å; Y173-S177 PolarHBondContact O-N 3.47Å
174Y94Very high90.3Very high33 Ų3347.4 Ų47.413%0.12929%0.293CS..Hα-helixtrans-67.5-47.1173.2175-101.5000111.5I113 I114 I130 S161 A163 V171 A172 I176 S177 K178I113-Y174 VanDerWaalsContact O-CD2 3.27Å; I113-Y174 WeakPolarHBondContact O-CD2 3.49Å; I113-Y174 WeakPolarHBondContact O-CE2 3.24Å; I114-Y174 HydrophobicContact CB-CD2 4.22Å; I114-Y174 HydrophobicContact CB-CE2 4.3Å; I114-Y174 HydrophobicContact CG1-CD1 4.33Å; I114-Y174 HydrophobicContact CG1-CD2 4.14Å; I114-Y174 HydrophobicContact CG1-CE2 4.46Å; I114-Y174 HydrophobicContact CG1-CG 4.08Å; I130-Y174 HydrophobicContact CD1-CD2 4.02Å; I130-Y174 HydrophobicContact CD1-CG 4.41Å; S161-Y174 WeakPolarHBondContact CB-OH 3.37Å; S161-Y174 PolarHBondContact OG-OH 3.33Å; A163-Y174 HydrophobicContact CB-CD1 3.79Å; A163-Y174 HydrophobicContact CB-CE1 3.53Å; V171-Y174 WeakPolarHBondContact O-CA 3.27Å; V171-Y174 WeakPolarHBondContact O-CB 3.47Å; V171-Y174 PolarHBondContact O-N 2.7Å; A172-Y174 VanDerWaalsContact C-N 3.28Å; A172-Y174 PolarHBondContact O-N 3.32Å; Y174-I176 VanDerWaalsContact C-N 3.34Å; Y174-I176 PolarHBondContact O-N 2.99Å; Y174-S177 PolarHBondContact O-N 2.85Å; Y174-S177 VanDerWaalsContact O-N 3.15Å; Y174-S177 PolarHBondContact O-OG 3.18Å; Y174-K178 HydrophobicContact CD2-CG 4.36Å; Y174-K178 HydrophobicContact CE1-CG 4.15Å; Y174-K178 HydrophobicContact CE2-CD 4.38Å; Y174-K178 HydrophobicContact CE2-CG 3.92Å; Y174-K178 PolarHBondContact O-N 3.49Å
175C92Very high90.1Very high14 Ų1446.9 Ų46.910%0.09529%0.289CS..Hα-helixtrans-54-49.6173.7-70.90000111.3A163 C166 V171 A172 S177 K178 A179A163-C175 VanDerWaalsContact O-CA 3.26Å; A163-C175 WeakPolarHBondContact O-CA 3.46Å; A163-C175 WeakPolarHBondContact O-CB 3.43Å; C166-C175 PolarHBondContact O-SG 2.58Å; V171-C175 PolarHBondContact O-N 2.88Å; A172-C175 WeakPolarHBondContact O-CB 3.33Å; A172-C175 PolarHBondContact O-N 3.04Å; C175-S177 VanDerWaalsContact C-N 3.34Å; C175-S177 PolarHBondContact O-N 3.27Å; C175-K178 PolarHBondContact O-N 3.3Å; C175-A179 WeakPolarHBondContact O-CB 3.5Å; C175-A179 PolarHBondContact O-N 3.21Å
176I94.9Very high90.2Very high77 Ų7746.5 Ų46.540%0.39527%0.274SS..Hα-helixtrans-57.6-46.5176.9-67.7160000110.9F127 A172 Y173 Y174 K178 A179 A180F127-I176 HydrophobicContact CE2-CG2 4.01Å; A172-I176 WeakPolarHBondContact O-CG1 3.36Å; A172-I176 PolarHBondContact O-N 2.74Å; Y173-I176 HydrophobicContact CD1-CD1 4.37Å; Y174-I176 VanDerWaalsContact C-N 3.34Å; Y174-I176 PolarHBondContact O-N 2.99Å; I176-K178 VanDerWaalsContact C-N 3.29Å; I176-K178 PolarHBondContact O-N 2.96Å; I176-A179 PolarHBondContact O-N 3.15Å; I176-A180 WeakPolarHBondContact O-CB 3.44Å; I176-A180 PolarHBondContact O-N 3.4Å
177S96Very high90.6Very high0 Ų046.1 Ų46.10%027%0.272CS..Hα-helixtrans-61.9-35.4179.978.40000113.2N134 V135 Y173 Y174 C175 L181N134-S177 PolarHBondContact ND2-OG 3.34Å; V135-S177 WeakPolarHBondContact CG2-O 3.17Å; Y173-S177 WeakPolarHBondContact O-CB 3.43Å; Y173-S177 PolarHBondContact O-N 3.47Å; Y174-S177 PolarHBondContact O-N 2.85Å; Y174-S177 VanDerWaalsContact O-N 3.15Å; Y174-S177 PolarHBondContact O-OG 3.18Å; C175-S177 VanDerWaalsContact C-N 3.34Å; C175-S177 PolarHBondContact O-N 3.27Å; S177-L181 PolarHBondContact O-N 2.85Å
178K93.4Very high90.4Very high11 Ų1142 Ų425%0.04824%0.237CC..Hα-helixtrans-80.2-34.5178.7-67.7-60.9-169.3-178.30112.2V159 S164 Y174 C175 I176 A180 L181 D182V159-K178 PolarHBondContact O-NZ 3.15Å; S164-K178 VanDerWaalsContact CB-C 3.43Å; S164-K178 WeakPolarHBondContact CB-O 3.27Å; Y174-K178 HydrophobicContact CD2-CG 4.36Å; Y174-K178 HydrophobicContact CE1-CG 4.15Å; Y174-K178 HydrophobicContact CE2-CD 4.38Å; Y174-K178 HydrophobicContact CE2-CG 3.92Å; Y174-K178 PolarHBondContact O-N 3.49Å; C175-K178 PolarHBondContact O-N 3.3Å; I176-K178 VanDerWaalsContact C-N 3.29Å; I176-K178 PolarHBondContact O-N 2.96Å; K178-A180 VanDerWaalsContact C-N 3.32Å; K178-L181 HydrophobicContact CD-CD2 4.25Å; K178-L181 PolarHBondContact O-N 3.26Å; K178-D182 PolarHBondContact O-N 2.9Å
179A93.5Very high89.8Confident41 Ų4138.9 Ų38.934%0.33923%0.233SC..Hα-helixtrans-61.9-42.1169.300000111.3S164 C175 I176 D182 Q183S164-A179 WeakPolarHBondContact O-CB 3.47Å; C175-A179 WeakPolarHBondContact O-CB 3.5Å; C175-A179 PolarHBondContact O-N 3.21Å; I176-A179 PolarHBondContact O-N 3.15Å; A179-D182 PolarHBondContact O-N 2.98Å; A179-Q183 PolarHBondContact O-N 3.48Å
180A96.2Very high89.2Confident31 Ų3135.9 Ų35.926%0.25621%0.21SC..Hα-helixtrans-63.1-41.2174.300000112.1M131 V135 I176 K178 Q183 F184M131-A180 HydrophobicContact CE-CB 4.17Å; V135-A180 HydrophobicContact CG2-CB 4Å; I176-A180 WeakPolarHBondContact O-CB 3.44Å; I176-A180 PolarHBondContact O-N 3.4Å; K178-A180 VanDerWaalsContact C-N 3.32Å; A180-Q183 PolarHBondContact O-N 3.48Å; A180-F184 WeakPolarHBondContact O-CB 3.4Å; A180-F184 PolarHBondContact O-N 3.32Å
181L92.4Very high88.6Confident0 Ų040.2 Ų40.20%022%0.224CC..Hα-helixtrans-63.8-40174.9-17858000112.5I138 N158 S177 K178 F184 T185I138-L181 HydrophobicContact CB-CD1 4.44Å; I138-L181 HydrophobicContact CD1-CD1 3.68Å; I138-L181 HydrophobicContact CD1-CD2 3.89Å; I138-L181 HydrophobicContact CD1-CG 4.45Å; I138-L181 HydrophobicContact CG2-CD1 3.9Å; N158-L181 HydrophobicContact CB-CD1 4.04Å; N158-L181 HydrophobicContact CB-CD2 4.39Å; N158-L181 HydrophobicContact CB-CG 4.24Å; S177-L181 PolarHBondContact O-N 2.85Å; K178-L181 HydrophobicContact CD-CD2 4.25Å; K178-L181 PolarHBondContact O-N 3.26Å; L181-F184 HydrophobicContact CD1-CD1 4.21Å; L181-F184 PolarHBondContact O-N 3.28Å; L181-T185 PolarHBondContact O-N 2.87Å; L181-T185 PolarHBondContact O-OG1 3.48Å
182D89.4Confident87.6Confident35 Ų3540.6 Ų40.619%0.18723%0.225CC..Hα-helixtrans-65-44.2175.9-80.421.4000111.3S160 S164 K178 A179 T185 K186S160-D182 WeakPolarHBondContact CB-OD1 3.45Å; S160-D182 PolarHBondContact OG-OD1 3.15Å; S164-D182 VanDerWaalsContact CB-CG 3.43Å; S164-D182 WeakPolarHBondContact CB-OD2 3.37Å; S164-D182 PolarHBondContact OG-OD2 3.48Å; K178-D182 PolarHBondContact O-N 2.9Å; A179-D182 PolarHBondContact O-N 2.98Å; D182-T185 WeakPolarHBondContact O-CB 3.38Å; D182-T185 PolarHBondContact O-N 3.2Å; D182-K186 PolarHBondContact O-N 3.3Å; D182-K186 VanDerWaalsContact O-N 3.11Å
183Q91.7Very high86.2Confident106 Ų10640.6 Ų40.650%0.49523%0.225SC..Hα-helixtrans-65.2-41.8176-173.859.426.300111.5A179 A180 T185 K186 C187A179-Q183 PolarHBondContact O-N 3.48Å; A180-Q183 PolarHBondContact O-N 3.48Å; Q183-T185 VanDerWaalsContact C-N 3.26Å; Q183-T185 PolarHBondContact O-N 3Å; Q183-K186 PolarHBondContact O-N 3.48Å; Q183-C187 PolarHBondContact O-N 3.21Å; Q183-C187 PolarHBondContact O-SG 3.43Å; Q183-C187 VanDerWaalsContact O-SG 3.33Å
184F91.8Very high84.4Confident35 Ų3541.4 Ų41.415%0.15423%0.234CC..Hα-helixtrans-56.7-42.9173.3171.2-112.4000111.2I138 I139 T142 A180 L181 K186 C187 L188I138-F184 HydrophobicContact CG2-CD1 4.29Å; I138-F184 HydrophobicContact CG2-CE1 3.92Å; I139-F184 HydrophobicContact CB-CE2 4.34Å; I139-F184 HydrophobicContact CB-CZ 4.33Å; I139-F184 HydrophobicContact CD1-CD2 4.25Å; I139-F184 HydrophobicContact CG1-CD1 4.27Å; I139-F184 HydrophobicContact CG1-CD2 3.77Å; I139-F184 HydrophobicContact CG1-CE1 4.19Å; I139-F184 HydrophobicContact CG1-CE2 3.69Å; I139-F184 HydrophobicContact CG1-CG 4.06Å; I139-F184 HydrophobicContact CG1-CZ 3.9Å; I139-F184 HydrophobicContact CG2-CE2 4.31Å; T142-F184 HydrophobicContact CG2-CE1 4.46Å; T142-F184 HydrophobicContact CG2-CZ 3.94Å; A180-F184 WeakPolarHBondContact O-CB 3.4Å; A180-F184 PolarHBondContact O-N 3.32Å; L181-F184 HydrophobicContact CD1-CD1 4.21Å; L181-F184 PolarHBondContact O-N 3.28Å; F184-K186 VanDerWaalsContact C-N 3.32Å; F184-K186 PolarHBondContact O-N 2.96Å; F184-C187 PolarHBondContact O-N 3.42Å; F184-L188 HydrophobicContact CE1-CD2 4.16Å; F184-L188 HydrophobicContact CE2-CB 4.44Å; F184-L188 HydrophobicContact CE2-CD1 4.44Å; F184-L188 HydrophobicContact CZ-CB 4.44Å; F184-L188 HydrophobicContact CZ-CD1 4.2Å; F184-L188 HydrophobicContact CZ-CD2 4.1Å; F184-L188 HydrophobicContact CZ-CG 4.48Å; F184-L188 VanDerWaalsContact O-CB 3.22Å; F184-L188 WeakPolarHBondContact O-CB 3.46Å; F184-L188 PolarHBondContact O-N 3.09Å
185T80.5Confident82.3Confident9 Ų947.8 Ų47.86%0.05527%0.265CS..Hα-helixtrans-61.8-41.5178.8-52.30000111.6I10 T12 N158 L181 D182 Q183 A189I10-T185 HydrophobicContact CG2-CG2 3.45Å; I10-T185 VanDerWaalsContact CG2-CG2 3.45Å; T12-T185 VanDerWaalsContact OG1-CB 3.32Å; T12-T185 WeakPolarHBondContact OG1-CB 3.32Å; T12-T185 VanDerWaalsContact OG1-CG2 3.24Å; T12-T185 WeakPolarHBondContact OG1-CG2 3.4Å; T12-T185 PolarHBondContact OG1-OG1 2.82Å; N158-T185 PolarHBondContact ND2-OG1 2.79Å; L181-T185 PolarHBondContact O-N 2.87Å; L181-T185 PolarHBondContact O-OG1 3.48Å; D182-T185 WeakPolarHBondContact O-CB 3.38Å; D182-T185 PolarHBondContact O-N 3.2Å; Q183-T185 VanDerWaalsContact C-N 3.26Å; Q183-T185 PolarHBondContact O-N 3Å; T185-A189 WeakPolarHBondContact O-CB 3.43Å; T185-A189 PolarHBondContact O-N 2.85Å
186K83.8Confident80.2Confident91 Ų9153.4 Ų53.440%0.39629%0.29SS..Hα-helixtrans-65.3-46.5175.9-68.7172.6-177.6171.70112.2D182 Q183 F184 A189 L190D182-K186 PolarHBondContact O-N 3.3Å; D182-K186 VanDerWaalsContact O-N 3.11Å; Q183-K186 PolarHBondContact O-N 3.48Å; F184-K186 VanDerWaalsContact C-N 3.32Å; F184-K186 PolarHBondContact O-N 2.96Å; K186-A189 PolarHBondContact O-N 3.07Å; K186-L190 PolarHBondContact O-N 3.29Å
187C87.1Confident78Confident50 Ų5058 Ų5834%0.33830%0.302SS..Hα-helixtrans-59.6-49.4176.5-65.20000110.8Q183 F184 A189 L190 D191Q183-C187 PolarHBondContact O-N 3.21Å; Q183-C187 PolarHBondContact O-SG 3.43Å; Q183-C187 VanDerWaalsContact O-SG 3.33Å; F184-C187 PolarHBondContact O-N 3.42Å; C187-A189 VanDerWaalsContact C-N 3.26Å; C187-A189 PolarHBondContact O-N 3.13Å; C187-L190 PolarHBondContact O-N 3.39Å; C187-D191 PolarHBondContact O-N 3.34Å
188L80.6Confident75.7Confident8 Ų861 Ų614%0.04233%0.327CS..Hα-helixtrans-58.8-37.9178.9-172.572.8000112.2I10 T142 I146 I156 F184 L190 D191 L192I10-L188 VanDerWaalsContact CD1-C 3.47Å; I10-L188 HydrophobicContact CD1-CB 4.06Å; I10-L188 HydrophobicContact CD1-CD2 3.71Å; I10-L188 HydrophobicContact CD1-CG 3.49Å; I10-L188 VanDerWaalsContact CD1-CG 3.49Å; I10-L188 WeakPolarHBondContact CD1-O 3.24Å; I10-L188 HydrophobicContact CG2-CD2 4.15Å; T142-L188 HydrophobicContact CG2-CD1 3.7Å; T142-L188 HydrophobicContact CG2-CD2 3.65Å; T142-L188 HydrophobicContact CG2-CG 4.33Å; I146-L188 HydrophobicContact CD1-CD1 4.05Å; I156-L188 HydrophobicContact CD1-CD2 3.7Å; I156-L188 HydrophobicContact CG2-CD2 4.36Å; F184-L188 HydrophobicContact CE1-CD2 4.16Å; F184-L188 HydrophobicContact CE2-CB 4.44Å; F184-L188 HydrophobicContact CE2-CD1 4.44Å; F184-L188 HydrophobicContact CZ-CB 4.44Å; F184-L188 HydrophobicContact CZ-CD1 4.2Å; F184-L188 HydrophobicContact CZ-CD2 4.1Å; F184-L188 HydrophobicContact CZ-CG 4.48Å; F184-L188 VanDerWaalsContact O-CB 3.22Å; F184-L188 WeakPolarHBondContact O-CB 3.46Å; F184-L188 PolarHBondContact O-N 3.09Å; L188-L190 VanDerWaalsContact C-N 3.3Å; L188-L190 PolarHBondContact O-N 3.42Å; L188-D191 PolarHBondContact O-N 2.92Å; L188-L192 HydrophobicContact CD1-CD1 4.02Å; L188-L192 HydrophobicContact CD1-CG 4.26Å; L188-L192 HydrophobicContact CG-CD1 4.12Å; L188-L192 HydrophobicContact CG-CG 4.48Å; L188-L192 WeakPolarHBondContact O-CB 3.38Å; L188-L192 WeakPolarHBondContact O-CG 3.2Å; L188-L192 PolarHBondContact O-N 3.18Å
189A71.7Confident73.8Confident41 Ų4169 Ų6934%0.33936%0.361SS..Hα-helixtrans-67.2-31.4177.900000112.7I10 T185 K186 C187 A193I10-A189 HydrophobicContact CB-CB 4.12Å; I10-A189 HydrophobicContact CD1-CB 4.2Å; I10-A189 HydrophobicContact CG1-CB 4.48Å; T185-A189 WeakPolarHBondContact O-CB 3.43Å; T185-A189 PolarHBondContact O-N 2.85Å; K186-A189 PolarHBondContact O-N 3.07Å; C187-A189 VanDerWaalsContact C-N 3.26Å; C187-A189 PolarHBondContact O-N 3.13Å; A189-A193 WeakPolarHBondContact O-CB 3.39Å; A189-A193 PolarHBondContact O-N 3.36Å
190L73.6Confident72.1Confident64 Ų6475.7 Ų75.734%0.33539%0.386SS..Hα-helixtrans-78.5-41.9173.5-66175.8000111.4K186 C187 L188 L192 A193 P244K186-L190 PolarHBondContact O-N 3.29Å; C187-L190 PolarHBondContact O-N 3.39Å; L188-L190 VanDerWaalsContact C-N 3.3Å; L188-L190 PolarHBondContact O-N 3.42Å; L190-L192 VanDerWaalsContact C-N 3.29Å; L190-L192 PolarHBondContact O-N 2.96Å; L190-A193 WeakPolarHBondContact O-CB 3.23Å; L190-A193 PolarHBondContact O-N 3.36Å; L190-P244 HydrophobicContact CD2-CG 4.43Å
191D78.2Confident70.3Confident129 Ų12976.8 Ų76.869%0.6939%0.387SS*.Hα-helixtrans-64.3-32.7179.4-71.5-9.4000112.4C187 L188C187-D191 PolarHBondContact O-N 3.34Å; L188-D191 PolarHBondContact O-N 2.92Å
192L72.3Confident68.9Low27 Ų2780.3 Ų80.314%0.14140%0.403CS..THydrogen-bonded Turntrans-98.95.8176.5-57.5-176.6000113.3V8 I10 I146 I150 I156 L188 L190V8-L192 HydrophobicContact CB-CD1 4.41Å; V8-L192 HydrophobicContact CG1-CD1 4.13Å; I10-L192 HydrophobicContact CD1-CB 4.28Å; I10-L192 HydrophobicContact CD1-CD1 3.82Å; I10-L192 HydrophobicContact CD1-CG 4.37Å; I146-L192 HydrophobicContact CD1-CD1 4.5Å; I146-L192 HydrophobicContact CD1-CD2 4.24Å; I146-L192 HydrophobicContact CG1-CD1 4.11Å; I146-L192 HydrophobicContact CG1-CD2 4.26Å; I146-L192 HydrophobicContact CG2-CD2 4.09Å; I150-L192 HydrophobicContact CD1-CD2 4.46Å; I156-L192 HydrophobicContact CD1-CD1 4.3Å; L188-L192 HydrophobicContact CD1-CD1 4.02Å; L188-L192 HydrophobicContact CD1-CG 4.26Å; L188-L192 HydrophobicContact CG-CD1 4.12Å; L188-L192 HydrophobicContact CG-CG 4.48Å; L188-L192 WeakPolarHBondContact O-CB 3.38Å; L188-L192 WeakPolarHBondContact O-CG 3.2Å; L188-L192 PolarHBondContact O-N 3.18Å; L190-L192 VanDerWaalsContact C-N 3.29Å; L190-L192 PolarHBondContact O-N 2.96Å
193A62.5Low67.7Low23 Ų2382.1 Ų82.119%0.1942%0.417CS..SBendtrans-74148.6171.900000110.1A189 L190 E195A189-A193 WeakPolarHBondContact O-CB 3.39Å; A189-A193 PolarHBondContact O-N 3.36Å; L190-A193 WeakPolarHBondContact O-CB 3.23Å; L190-A193 PolarHBondContact O-N 3.36Å; A193-E195 PolarHBondContact O-N 2.92Å
194P56.7Low66.4Low44 Ų4482.5 Ų82.529%0.28642%0.422SS..  trans-53.7136.9169.2-23.733.1000111.1E196 R197P194-E196 PolarHBondContact O-N 3.05Å; P194-R197 PolarHBondContact O-N 3.2Å; P194-R197 VanDerWaalsContact O-N 3.12Å
195E49.4Very low65.2Low168 Ų16884.3 Ų84.379%0.78545%0.45SS*.G310 helixtrans-50.9-23.2-171.7-70.3-172.8161.600115A193 R197 A198A193-E195 PolarHBondContact O-N 2.92Å; E195-R197 PolarHBondContact O-N 2.71Å; E195-R197 VanDerWaalsContact O-N 3.09Å; E195-A198 PolarHBondContact O-N 3.31Å
196E47.8Very low64.9Low132 Ų13289.1 Ų89.162%0.61747%0.467SS*.G310 helixtrans-59.2-20.7179.2-67.2171.8162.300113.2S3 P194S3-E196 VanDerWaalsContact CB-CD 3.48Å; S3-E196 WeakPolarHBondContact CB-OE1 3.47Å; S3-E196 WeakPolarHBondContact CB-OE2 3.04Å; S3-E196 PolarHBondContact OG-OE1 3.27Å; S3-E196 PolarHBondContact OG-OE2 3.02Å; P194-E196 PolarHBondContact O-N 3.05Å
197R49.7Very low63.8Low173 Ų17390 Ų9065%0.65348%0.48SS*.G310 helixtrans-86.3-11-177.1-128.3173.9-174.1-175.2-0.7115.3P194 E195P194-R197 PolarHBondContact O-N 3.2Å; P194-R197 VanDerWaalsContact O-N 3.12Å; E195-R197 PolarHBondContact O-N 2.71Å; E195-R197 VanDerWaalsContact O-N 3.09Å
198A48.1Very low62.7Low62 Ų6289.7 Ų89.751%0.51249%0.485SS..G310 helixtrans-89-3.3-171.100000115E195 L201E195-A198 PolarHBondContact O-N 3.31Å; A198-L201 VanDerWaalsContact O-CD1 3.27Å; A198-L201 WeakPolarHBondContact O-CD1 3.38Å; A198-L201 WeakPolarHBondContact O-CD2 3.46Å; A198-L201 WeakPolarHBondContact O-CG 3.37Å
199K52.1Low62.1Low179 Ų17995.2 Ų95.278%0.77851%0.511SS*.SBendtrans-96.2-4.1-164.5-66-177.3-179.3175.20116.7
200E57.8Low61.5Low183 Ų18399 Ų9986%0.85553%0.53SS*.  trans-128.846.3-174.2-67.4-178.916700113.1
201L60.1Low61.3Low54 Ų54102.4 Ų102.428%0.28355%0.548SS..  trans-79.9-31.6-156.8-58.6-175000115.9A198 R239 V242A198-L201 VanDerWaalsContact O-CD1 3.27Å; A198-L201 WeakPolarHBondContact O-CD1 3.38Å; A198-L201 WeakPolarHBondContact O-CD2 3.46Å; A198-L201 WeakPolarHBondContact O-CG 3.37Å; L201-R239 VanDerWaalsContact CA-NH1 3.27Å; L201-R239 VanDerWaalsContact CB-NH1 3.34Å; L201-R239 WeakPolarHBondContact O-CD 3.01Å; L201-R239 PolarHBondContact O-NH1 2.89Å; L201-V242 WeakPolarHBondContact O-CG2 3.27Å
202H62.4Low60.7Low74 Ų7499.7 Ų99.734%0.34353%0.531SS..  trans-108.6119-177.1-60.397.1000111.1L204 G205 D236 A237H202-L204 PolarHBondContact O-N 3.06Å; H202-G205 WeakPolarHBondContact O-CA 3.35Å; H202-G205 PolarHBondContact O-N 2.91Å; H202-D236 PolarHBondContact CD2-O 3.36Å; H202-A237 HydrophobicContact CB-CB 4.09Å
203P63.9Low60.1Low72 Ų72101.4 Ų101.447%0.46854%0.543SS..THydrogen-bonded Turntrans-53.8-32.4174.9-31.435.6000115.2G205 A237 G238 V242P203-G205 PolarHBondContact O-N 3.2Å; P203-A237 WeakPolarHBondContact CB-O 3.48Å; P203-A237 WeakPolarHBondContact CD-O 3.39Å; P203-G238 WeakPolarHBondContact CG-O 3.18Å; P203-V242 HydrophobicContact CG-CB 4.25Å; P203-V242 HydrophobicContact CG-CG1 3.59Å; P203-V242 HydrophobicContact CG-CG2 3.62Å
204L65.2Low59.7Low115 Ų115102.6 Ų102.660%0.60255%0.553SS**THydrogen-bonded Turntrans-78.31.5174.6-58.5179.5000114.2H202 R206 A237H202-L204 PolarHBondContact O-N 3.06Å; L204-R206 PolarHBondContact O-N 3.32Å; L204-A237 HydrophobicContact CB-CB 3.74Å; L204-A237 HydrophobicContact CD1-CB 3.71Å; L204-A237 HydrophobicContact CG-CB 3.76Å; L204-A237 PolarHBondContact N-O 3.27Å
205G66.1Low59.9Low73 Ų73103.4 Ų103.475%0.75356%0.563SS**SBendtrans68.55.7173.100000115.8H202 P203H202-G205 WeakPolarHBondContact O-CA 3.35Å; H202-G205 PolarHBondContact O-N 2.91Å; P203-G205 PolarHBondContact O-N 3.2Å
206R73.2Confident60.3Low109 Ų10996.3 Ų96.341%0.41153%0.533SS..SBendtrans-141161.4178.765.8174-179.482.9-1111.8L204 E212L204-R206 PolarHBondContact O-N 3.32Å; R206-E212 IonicContact CZ-OE1 2.7Å; R206-E212 IonicContact CZ-OE2 2.67Å; R206-E212 IonicContact NH1-OE1 3.8Å; R206-E212 IonicContact NH1-OE2 2.79Å; R206-E212 PolarHBondContact NH1-OE2 3.19Å; R206-E212 IonicContact NH2-OE1 3.56Å; R206-E212 PolarHBondContact NH2-OE1 2.99Å; R206-E212 IonicContact NH2-OE2 3.51Å; R206-E212 PolarHBondContact NH2-OE2 3.12Å
207V61.4Low60.5Low110 Ų11095.1 Ų95.167%0.66753%0.53SS*.PPolyproline II helixtrans-73.6146.7165.7-178.50000108.4
208G63Low60.7Low43 Ų4390.7 Ų90.744%0.44353%0.526SS..PPolyproline II helixtrans-73.3147.2174.200000111.6E212G208-E212 WeakPolarHBondContact CA-OE2 3.26Å
209E69.1Low61.8Low125 Ų12592 Ų9258%0.58452%0.52SS*.PPolyproline II helixtrans-83.4151.4173-63.1-59.8147.700110.5D211 E212 V213E209-D211 PolarHBondContact O-N 3.32Å; E209-E212 HydrophobicContact CB-CG 4.22Å; E209-E212 PolarHBondContact N-OE2 2.93Å; E209-E212 WeakPolarHBondContact O-CB 3.39Å; E209-E212 PolarHBondContact O-N 2.85Å; E209-V213 PolarHBondContact O-N 3.42Å
210V58Low61.9Low120 Ų12087 Ų8773%0.72750%0.501SS*.Hα-helixtrans-58.7-35.9-179.4179.40000111.3E212 V213 A214V210-E212 VanDerWaalsContact C-N 3.27Å; V210-E212 PolarHBondContact O-N 2.65Å; V210-V213 PolarHBondContact O-N 3.48Å; V210-A214 WeakPolarHBondContact O-CB 3.48Å; V210-A214 PolarHBondContact O-N 2.93Å
211D70.7Confident61.7Low135 Ų13582.5 Ų82.572%0.72250%0.495SS*.Hα-helixtrans-63.8-28.8177.7-68.7-25.1000113E209 A214 A215E209-D211 PolarHBondContact O-N 3.32Å; D211-A214 PolarHBondContact O-N 2.96Å; D211-A215 VanDerWaalsContact O-CB 3.3Å; D211-A215 WeakPolarHBondContact O-CB 3.36Å; D211-A215 PolarHBondContact O-N 3.1Å
212E65.4Low62Low72 Ų7281.8 Ų81.834%0.33650%0.495SS..Hα-helixtrans-71.8-39.4176.9-61.3-179111.600111.3R206 G208 E209 V210 A216R206-E212 IonicContact CZ-OE1 2.7Å; R206-E212 IonicContact CZ-OE2 2.67Å; R206-E212 IonicContact NH1-OE1 3.8Å; R206-E212 IonicContact NH1-OE2 2.79Å; R206-E212 PolarHBondContact NH1-OE2 3.19Å; R206-E212 IonicContact NH2-OE1 3.56Å; R206-E212 PolarHBondContact NH2-OE1 2.99Å; R206-E212 IonicContact NH2-OE2 3.51Å; R206-E212 PolarHBondContact NH2-OE2 3.12Å; G208-E212 WeakPolarHBondContact CA-OE2 3.26Å; E209-E212 HydrophobicContact CB-CG 4.22Å; E209-E212 PolarHBondContact N-OE2 2.93Å; E209-E212 WeakPolarHBondContact O-CB 3.39Å; E209-E212 PolarHBondContact O-N 2.85Å; V210-E212 VanDerWaalsContact C-N 3.27Å; V210-E212 PolarHBondContact O-N 2.65Å; E212-A216 PolarHBondContact O-N 3.4Å
213V59Low62.7Low63 Ų6383 Ų8338%0.38251%0.511SS..Hα-helixtrans-67.8-42.8173.3-177.10000110E209 V210 A215 A216 I217 V235E209-V213 PolarHBondContact O-N 3.42Å; V210-V213 PolarHBondContact O-N 3.48Å; V213-A215 PolarHBondContact O-N 3.32Å; V213-A216 PolarHBondContact O-N 3.24Å; V213-I217 HydrophobicContact CG1-CD1 4.06Å; V213-I217 WeakPolarHBondContact O-CG1 3.38Å; V213-I217 PolarHBondContact O-N 3.38Å; V213-V235 HydrophobicContact CG2-CB 4.44Å; V213-V235 HydrophobicContact CG2-CG1 4.12Å
214A54.4Low63.3Low49 Ų4985.5 Ų85.541%0.40552%0.521SS..Hα-helixtrans-62.4-40.4177.500000112.3V210 D211 I217 S218V210-A214 WeakPolarHBondContact O-CB 3.48Å; V210-A214 PolarHBondContact O-N 2.93Å; D211-A214 PolarHBondContact O-N 2.96Å; A214-I217 PolarHBondContact O-N 2.93Å; A214-S218 WeakPolarHBondContact O-CB 3.48Å; A214-S218 PolarHBondContact O-N 3.33Å
215A60.8Low63.8Low61 Ų6180.7 Ų80.750%0.50450%0.497SS..Hα-helixtrans-62.6-42.4175.500000112.2D211 V213 S218 F219D211-A215 VanDerWaalsContact O-CB 3.3Å; D211-A215 WeakPolarHBondContact O-CB 3.36Å; D211-A215 PolarHBondContact O-N 3.1Å; V213-A215 PolarHBondContact O-N 3.32Å; A215-S218 PolarHBondContact O-N 2.85Å; A215-F219 PolarHBondContact O-N 2.9Å
216A58.6Low64.1Low18 Ų1882.4 Ų82.415%0.14950%0.497CS..Hα-helixtrans-63.4-41.3175.400000112.2E212 V213 F219 L220 L233 V235E212-A216 PolarHBondContact O-N 3.4Å; V213-A216 PolarHBondContact O-N 3.24Å; A216-F219 PolarHBondContact O-N 3.31Å; A216-L220 WeakPolarHBondContact O-CG 3.19Å; A216-L220 PolarHBondContact O-N 3.02Å; A216-L233 HydrophobicContact CB-CD2 4Å; A216-V235 HydrophobicContact CB-CG2 3.57Å
217I51.2Low64.3Low108 Ų10887 Ų8755%0.55452%0.521SS*.Hα-helixtrans-63.7-45.1174.3-67.1166.9000110.7V213 A214 F219 L220 A221V213-I217 HydrophobicContact CG1-CD1 4.06Å; V213-I217 WeakPolarHBondContact O-CG1 3.38Å; V213-I217 PolarHBondContact O-N 3.38Å; A214-I217 PolarHBondContact O-N 2.93Å; I217-F219 VanDerWaalsContact C-N 3.32Å; I217-F219 PolarHBondContact O-N 2.69Å; I217-L220 PolarHBondContact O-N 3.09Å; I217-A221 WeakPolarHBondContact O-CB 3Å; I217-A221 PolarHBondContact O-N 2.83Å
218S55.2Low64.7Low80 Ų8085.7 Ų85.756%0.55951%0.509SS*.Hα-helixtrans-59.9-41.8178.1-1750000111.9A214 A215 A221 S222A214-S218 WeakPolarHBondContact O-CB 3.48Å; A214-S218 PolarHBondContact O-N 3.33Å; A215-S218 PolarHBondContact O-N 2.85Å; S218-A221 PolarHBondContact O-N 3.42Å; S218-S222 WeakPolarHBondContact O-CB 3.36Å; S218-S222 PolarHBondContact O-N 3.04Å; S218-S222 VanDerWaalsContact O-N 3.09Å
219F70.5Confident64.3Low90 Ų9089.7 Ų89.740%0.39553%0.525SS..Hα-helixtrans-59.4-51.3172.5169.1-103.9000111.6A215 A216 I217 A221 S222 N224 S225 I228A215-F219 PolarHBondContact O-N 2.9Å; A216-F219 PolarHBondContact O-N 3.31Å; I217-F219 VanDerWaalsContact C-N 3.32Å; I217-F219 PolarHBondContact O-N 2.69Å; F219-A221 PolarHBondContact O-N 3.26Å; F219-S222 PolarHBondContact O-N 3.49Å; F219-S222 VanDerWaalsContact O-N 3.11Å; F219-S222 PolarHBondContact O-OG 3.4Å; F219-N224 HydrophobicContact CD2-CB 4.15Å; F219-N224 HydrophobicContact CE2-CB 3.88Å; F219-S225 WeakPolarHBondContact O-CB 3.42Å; F219-S225 PolarHBondContact O-OG 2.99Å; F219-I228 HydrophobicContact CE1-CD1 3.63Å; F219-I228 HydrophobicContact CZ-CD1 3.83Å
220L53.5Low63.5Low74 Ų7487.6 Ų87.639%0.38754%0.537SS..Hα-helixtrans-63.1-27.2180-71.6177.1000113.4A216 I217 S225 I228 L233A216-L220 WeakPolarHBondContact O-CG 3.19Å; A216-L220 PolarHBondContact O-N 3.02Å; I217-L220 PolarHBondContact O-N 3.09Å; L220-S225 VanDerWaalsContact C-OG 3.24Å; L220-S225 PolarHBondContact O-OG 3.29Å; L220-I228 HydrophobicContact CD2-CG2 4.3Å; L220-L233 HydrophobicContact CD1-CB 4.06Å; L220-L233 HydrophobicContact CD1-CD2 3.92Å; L220-L233 HydrophobicContact CD2-CD2 4.3Å; L220-L233 HydrophobicContact CG-CD2 4.05Å
221A54.2Low64.1Low87 Ų8789 Ų8972%0.71954%0.536SS*.Hα-helixtrans-86.5-12.2176.500000114.2I217 S218 F219I217-A221 WeakPolarHBondContact O-CB 3Å; I217-A221 PolarHBondContact O-N 2.83Å; S218-A221 PolarHBondContact O-N 3.42Å; F219-A221 PolarHBondContact O-N 3.26Å
222S66.3Low63.7Low40 Ų4089.8 Ų89.828%0.2854%0.539SS..SBendtrans-84.7169.6-177.976.40000112.8S218 F219 N224 S225S218-S222 WeakPolarHBondContact O-CB 3.36Å; S218-S222 PolarHBondContact O-N 3.04Å; S218-S222 VanDerWaalsContact O-N 3.09Å; F219-S222 PolarHBondContact O-N 3.49Å; F219-S222 VanDerWaalsContact O-N 3.11Å; F219-S222 PolarHBondContact O-OG 3.4Å; S222-N224 PolarHBondContact O-N 2.98Å; S222-N224 WeakPolarHBondContact OG-CB 2.99Å; S222-N224 PolarHBondContact OG-N 2.91Å; S222-S225 PolarHBondContact O-N 3.23Å; S222-S225 PolarHBondContact O-OG 3.46Å
223S77.2Confident63.9Low98 Ų9891 Ų9169%0.68555%0.547SS*.G310 helixtrans-64-16.4170.853.70000113.8S225 S226S223-S225 PolarHBondContact O-N 3.42Å; S223-S226 VanDerWaalsContact O-CB 3.24Å; S223-S226 WeakPolarHBondContact O-CB 3.48Å; S223-S226 PolarHBondContact O-N 3.17Å; S223-S226 PolarHBondContact O-OG 2.92Å
224N77.1Confident64.5Low126 Ų12694.4 Ų94.467%0.67456%0.557SS**G310 helixtrans-70.5-16.6-179.7-61.7-22.2000112.9F219 S222F219-N224 HydrophobicContact CD2-CB 4.15Å; F219-N224 HydrophobicContact CE2-CB 3.88Å; S222-N224 PolarHBondContact O-N 2.98Å; S222-N224 WeakPolarHBondContact OG-CB 2.99Å; S222-N224 PolarHBondContact OG-N 2.91Å
225S75.2Confident65.3Low13 Ų1395.4 Ų95.49%0.09156%0.558CS.*G310 helixtrans-102.515.6174.5610000112.9F219 L220 S222 S223 F227 I228F219-S225 WeakPolarHBondContact O-CB 3.42Å; F219-S225 PolarHBondContact O-OG 2.99Å; L220-S225 VanDerWaalsContact C-OG 3.24Å; L220-S225 PolarHBondContact O-OG 3.29Å; S222-S225 PolarHBondContact O-N 3.23Å; S222-S225 PolarHBondContact O-OG 3.46Å; S223-S225 PolarHBondContact O-N 3.42Å; S225-F227 PolarHBondContact O-N 2.72Å; S225-I228 PolarHBondContact O-N 3.2Å
226S73.3Confident65.7Low109 Ų10994.6 Ų94.676%0.76255%0.545SS*.THydrogen-bonded Turntrans-57.4-15.8-173.951.30000116S223S223-S226 VanDerWaalsContact O-CB 3.24Å; S223-S226 WeakPolarHBondContact O-CB 3.48Å; S223-S226 PolarHBondContact O-N 3.17Å; S223-S226 PolarHBondContact O-OG 2.92Å
227F76.9Confident66.3Low207 Ų20795 Ų9591%0.90855%0.548SS*.THydrogen-bonded Turntrans-113.112175.2-148.1-115.1000113.8S225S225-F227 PolarHBondContact O-N 2.72Å
228I70.1Confident66.9Low81 Ų8190.7 Ų90.742%0.41553%0.53SS..  trans-100.1114.3174.6-56.9178000108.1F219 L220 S225 E231F219-I228 HydrophobicContact CE1-CD1 3.63Å; F219-I228 HydrophobicContact CZ-CD1 3.83Å; L220-I228 HydrophobicContact CD2-CG2 4.3Å; S225-I228 PolarHBondContact O-N 3.2Å; I228-E231 HydrophobicContact CG2-CB 4.09Å; I228-E231 HydrophobicContact CG2-CG 4.39Å
229T54.1Low67.5Low127 Ų12789.1 Ų89.178%0.77951%0.512SS*.  trans-145.9147.1174.9-172.10000109.9E231T229-E231 PolarHBondContact O-N 2.82Å
230G52.4Low67.4Low81 Ų8186.2 Ų86.284%0.83551%0.505SS*.SBendtrans70.912.4179.300000115.5
231E70.4Confident67.8Low151 Ų15189.1 Ų89.171%0.70652%0.52SS*.  trans-103.5153.3-178.1-72.9-6015000113.1I228 T229I228-E231 HydrophobicContact CG2-CB 4.09Å; I228-E231 HydrophobicContact CG2-CG 4.39Å; T229-E231 PolarHBondContact O-N 2.82Å
232L62.2Low68.2Low151 Ų15188.9 Ų88.979%0.79151%0.509SS*.  trans-11199.7173.7-69.4174.3000110.2K234L232-K234 PolarHBondContact O-N 3.44Å
233L70.2Confident67.7Low97 Ų9788.1 Ų88.151%0.50850%0.504SS..  trans-78.4105.9174-176.262.1000110.3A216 L220A216-L233 HydrophobicContact CB-CD2 4Å; L220-L233 HydrophobicContact CD1-CB 4.06Å; L220-L233 HydrophobicContact CD1-CD2 3.92Å; L220-L233 HydrophobicContact CD2-CD2 4.3Å; L220-L233 HydrophobicContact CG-CD2 4.05Å
234K71.9Confident66.6Low134 Ų13486.6 Ų86.658%0.58349%0.492SS*.  trans-84.7125.5175.5-63.6178.4-174.5164.20110.2L232 D236 A240L232-K234 PolarHBondContact O-N 3.44Å; K234-D236 HydrophobicContact CB-CB 4.5Å; K234-A240 HydrophobicContact CD-CB 3.54Å
235V69.3Low65.1Low70 Ų7092.9 Ų92.942%0.42451%0.506SS..  trans-108.769.1171-169.20000107.6V213 A216V213-V235 HydrophobicContact CG2-CB 4.44Å; V213-V235 HydrophobicContact CG2-CG1 4.12Å; A216-V235 HydrophobicContact CB-CG2 3.57Å
236D70.9Confident64.6Low45 Ų4596.9 Ų96.924%0.24153%0.527CS..SBendtrans-128.718.5-166.875.3-8.7000113.3H202 K234 G238 R239 A240H202-D236 PolarHBondContact CD2-O 3.36Å; K234-D236 HydrophobicContact CB-CB 4.5Å; D236-G238 PolarHBondContact O-N 3.09Å; D236-G238 WeakPolarHBondContact OD1-CA 3.02Å; D236-G238 PolarHBondContact OD1-N 2.64Å; D236-R239 HydrophobicContact CB-CB 3.93Å; D236-R239 WeakPolarHBondContact O-CB 3.48Å; D236-R239 PolarHBondContact O-N 2.56Å; D236-R239 PolarHBondContact OD1-N 2.73Å; D236-A240 WeakPolarHBondContact OD2-CB 3.37Å; D236-A240 PolarHBondContact OD2-N 2.95Å
237A70.4Confident64.1Low26 Ų2696.3 Ų96.322%0.21552%0.515CS..THydrogen-bonded Turntrans54.525.4-177.800000114.4H202 P203 L204H202-A237 HydrophobicContact CB-CB 4.09Å; P203-A237 WeakPolarHBondContact CB-O 3.48Å; P203-A237 WeakPolarHBondContact CD-O 3.39Å; L204-A237 HydrophobicContact CB-CB 3.74Å; L204-A237 HydrophobicContact CD1-CB 3.71Å; L204-A237 HydrophobicContact CG-CB 3.76Å; L204-A237 PolarHBondContact N-O 3.27Å
238G63.5Low63.4Low17 Ų1790.1 Ų90.118%0.17549%0.493CS..THydrogen-bonded Turntrans84.19.6-17700000113.8P203 D236 A240 L241 V242P203-G238 WeakPolarHBondContact CG-O 3.18Å; D236-G238 PolarHBondContact O-N 3.09Å; D236-G238 WeakPolarHBondContact OD1-CA 3.02Å; D236-G238 PolarHBondContact OD1-N 2.64Å; G238-A240 VanDerWaalsContact C-N 3.26Å; G238-A240 PolarHBondContact O-N 3.42Å; G238-L241 WeakPolarHBondContact O-CA 3.34Å; G238-L241 VanDerWaalsContact O-CB 3.31Å; G238-L241 WeakPolarHBondContact O-CB 3.32Å; G238-L241 PolarHBondContact O-N 3.5Å; G238-V242 PolarHBondContact O-N 3.06Å
239R68Low63Low47 Ų4790.6 Ų90.618%0.17750%0.497CS..Hα-helixtrans-51.8-44.7-179.9175.262.5-174.3144.71.5112L201 D236 L241 V242 S243L201-R239 VanDerWaalsContact CA-NH1 3.27Å; L201-R239 VanDerWaalsContact CB-NH1 3.34Å; L201-R239 WeakPolarHBondContact O-CD 3.01Å; L201-R239 PolarHBondContact O-NH1 2.89Å; D236-R239 HydrophobicContact CB-CB 3.93Å; D236-R239 WeakPolarHBondContact O-CB 3.48Å; D236-R239 PolarHBondContact O-N 2.56Å; D236-R239 PolarHBondContact OD1-N 2.73Å; R239-L241 PolarHBondContact O-N 3Å; R239-V242 PolarHBondContact O-N 3.08Å; R239-S243 WeakPolarHBondContact O-CB 3.37Å; R239-S243 PolarHBondContact O-N 3.3Å
240A67.9Low63.6Low30 Ų3088.4 Ų88.425%0.24848%0.48CS..Hα-helixtrans-69.5-12.2179.200000114.4K234 D236 G238K234-A240 HydrophobicContact CD-CB 3.54Å; D236-A240 WeakPolarHBondContact OD2-CB 3.37Å; D236-A240 PolarHBondContact OD2-N 2.95Å; G238-A240 VanDerWaalsContact C-N 3.26Å; G238-A240 PolarHBondContact O-N 3.42Å
241L62.7Low64.3Low135 Ų13588.9 Ų88.971%0.70746%0.456SS*.Hα-helixtrans-84.7-34.6173.7-60.8174.6000112G238 R239G238-L241 WeakPolarHBondContact O-CA 3.34Å; G238-L241 VanDerWaalsContact O-CB 3.31Å; G238-L241 WeakPolarHBondContact O-CB 3.32Å; G238-L241 PolarHBondContact O-N 3.5Å; R239-L241 PolarHBondContact O-N 3Å
242V63.3Low63.9Low81 Ų8184.4 Ų84.449%0.49144%0.438SS..Hα-helixtrans-99.1-17-178.5-64.20000114L201 P203 G238 R239L201-V242 WeakPolarHBondContact O-CG2 3.27Å; P203-V242 HydrophobicContact CG-CB 4.25Å; P203-V242 HydrophobicContact CG-CG1 3.59Å; P203-V242 HydrophobicContact CG-CG2 3.62Å; G238-V242 PolarHBondContact O-N 3.06Å; R239-V242 PolarHBondContact O-N 3.08Å
243S55.4Low64Low25 Ų2579.3 Ų79.318%0.17541%0.411CS..SBendtrans-63.9128.7166.4-171.60000108.5R239 R245R239-S243 WeakPolarHBondContact O-CB 3.37Å; R239-S243 PolarHBondContact O-N 3.3Å; S243-R245 PolarHBondContact O-N 2.88Å; S243-R245 VanDerWaalsContact O-N 3.13Å
244P53Low63.5Low65 Ų6577.8 Ų77.842%0.42240%0.403SS..  trans-53.3125177.70.5-2.3000109.5L190L190-P244 HydrophobicContact CD2-CG 4.43Å
245R46.2Very low62.8Low259 Ų25972.7 Ų72.798%0.97739%0.387SS*.  trans-66.50172.9-74-170.9-169.7176.84.2110.8S243S243-R245 PolarHBondContact O-N 2.88Å; S243-R245 VanDerWaalsContact O-N 3.13Å

Retrieved 245 of 245 residues in 44 ms (Link to these results)

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