A0A087XIF3_POEFO Loading...

Osteoclast-stimulating factor 1

Induces bone resorption, acting probably through a signaling cascade which results in the secretion of factor(s) enhancing osteoclast formation and activity.

AlphaFold DB (A0A3B3UHK3), UniProt , Accession A0A087XIF3, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 214 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
1M39.3Very low40.9Very low245 Ų245135.3 Ų135.3100%1.20775%0.749SS**  0111.60-63.6-176.6-159.900106.8
2S45.1Very low42.3Very low117 Ų117130.6 Ų130.682%0.81875%0.754SS**PPolyproline II helixtrans-62.8133.5178.636.80000109.4
3K37.9Very low45Very low196 Ų196129.3 Ų129.385%0.85274%0.737SS**PPolyproline II helixtrans-57.4136.6170.6-74.9179.4179.9173.90107.6
4P40Very low48.4Very low112 Ų112121.9 Ų121.973%0.72770%0.695SS**PPolyproline II helixtrans-57.5144.9176.623.2-31.5000109.6
5P42.3Very low51.4Low111 Ų111116.7 Ų116.772%0.72166%0.662SS**PPolyproline II helixtrans-54.9142.117920-30.2000110.1K7P5-K7 PolarHBondContact O-N 3.42Å
6P43.8Very low54.2Low76 Ų76109.8 Ų109.849%0.49462%0.623SS.*PPolyproline II helixtrans-54.1131.2178.1-15.523.4000109.2
7K38.6Very low56.8Low184 Ų184103.7 Ų103.780%0.859%0.588SS**PPolyproline II helixtrans-52.1138.8178.2-69179.9-179.9177.90109.7P5 A9 K15P5-K7 PolarHBondContact O-N 3.42Å; K7-A9 PolarHBondContact O-N 3.4Å; K7-K15 PolarHBondContact O-NZ 2.87Å
8P41.6Very low59Low122 Ų122102.7 Ų102.779%0.79257%0.573SS**PPolyproline II helixtrans-52.2135.4175.5-6.98.4000109.6
9A40.3Very low61.1Low30 Ų3097.4 Ų97.425%0.24854%0.543CS..PPolyproline II helixtrans-64144.4179.300000109.2K7 K15K7-A9 PolarHBondContact O-N 3.4Å; A9-K15 HydrophobicContact CB-CD 4.2Å
10K42.3Very low62.9Low157 Ų15795.9 Ų95.968%0.68353%0.534SS*.PPolyproline II helixtrans-59.2137.4161.5-68.1-179.7-178.61790107.3G12 Q13K10-G12 PolarHBondContact O-N 3.03Å; K10-G12 VanDerWaalsContact O-N 3.09Å; K10-Q13 PolarHBondContact O-N 3.48Å; K10-Q13 VanDerWaalsContact O-N 3.11Å
11P38.8Very low64.5Low138 Ų13897 Ų9790%0.89653%0.533SS*.THydrogen-bonded Turntrans-50.2121.2177.1-25.232.6000110.2
12G57.2Low67.3Low79 Ų7988.3 Ų88.381%0.81450%0.495SS*.THydrogen-bonded Turntrans93.54.217800000117.3K10K10-G12 PolarHBondContact O-N 3.03Å; K10-G12 VanDerWaalsContact O-N 3.09Å
13Q78.2Confident69.8Low114 Ų11484.1 Ų84.153%0.53346%0.461SS..PPolyproline II helixtrans-98.2116.3174.4-168.21739.100111.8K10K10-Q13 PolarHBondContact O-N 3.48Å; K10-Q13 VanDerWaalsContact O-N 3.11Å
14V92.1Very high72.6Confident25 Ų2580.2 Ų80.215%0.15245%0.45CS..PPolyproline II helixtrans-68.6131176.2177.90000110.3V16 Y40 I41 N95 K96 V97V14-V16 HydrophobicContact CG1-CG2 4.47Å; V14-Y40 HydrophobicContact CG1-CD1 4.34Å; V14-I41 WeakPolarHBondContact CA-O 3.43Å; V14-N95 VanDerWaalsContact CG2-O 3.32Å; V14-N95 WeakPolarHBondContact CG2-O 3.36Å; V14-K96 HydrophobicContact CG2-CB 4.46Å; V14-V97 HydrophobicContact CG1-CG2 4.43Å
15K93.6Very high75.2Confident45 Ų4577.3 Ų77.320%0.19643%0.431CS..EExtended strand (participates in β ladder)trans-103.4140.1173.6-69.6175.3168.6171.60109.5K7 A9 F17 I41K7-K15 PolarHBondContact O-NZ 2.87Å; A9-K15 HydrophobicContact CB-CD 4.2Å; K15-F17 HydrophobicContact CB-CD2 4.41Å; K15-F17 HydrophobicContact CB-CE2 3.59Å; K15-F17 HydrophobicContact CB-CZ 4.28Å; K15-F17 HydrophobicContact CD-CE2 4.47Å; K15-F17 HydrophobicContact CD-CZ 4.49Å; K15-I41 HydrophobicContact CB-CB 4.41Å; K15-I41 PolarHBondContact N-O 2.86Å; K15-I41 PolarHBondContact O-N 3.26Å
16V96.6Very high77.7Confident5 Ų581 Ų813%0.0343%0.431CS..EExtended strand (participates in β ladder)trans-115.9135.1-175.2-173.70000109.8V14 I38 L39 Y40 I73 P76 V97V14-V16 HydrophobicContact CG1-CG2 4.47Å; V16-I38 HydrophobicContact CG1-CG2 3.38Å; V16-L39 CarbonylContact C-O 3.47Å; V16-L39 WeakPolarHBondContact CA-O 3.47Å; V16-Y40 HydrophobicContact CG1-CD1 4.26Å; V16-Y40 HydrophobicContact CG1-CE1 4.08Å; V16-Y40 HydrophobicContact CG2-CD1 3.64Å; V16-Y40 HydrophobicContact CG2-CE1 3.91Å; V16-I73 HydrophobicContact CB-CB 4.47Å; V16-I73 HydrophobicContact CG1-CB 4.4Å; V16-I73 HydrophobicContact CG1-CD1 4.29Å; V16-I73 PolarHBondContact O-N 3.41Å; V16-P76 HydrophobicContact CB-CB 4.24Å; V16-P76 HydrophobicContact CB-CG 3.83Å; V16-P76 HydrophobicContact CG1-CB 4.1Å; V16-P76 HydrophobicContact CG1-CG 4.23Å; V16-P76 HydrophobicContact CG2-CB 4.38Å; V16-P76 HydrophobicContact CG2-CG 3.66Å; V16-V97 HydrophobicContact CG2-CG2 3.81Å
17F97.4Very high80Confident7 Ų780.4 Ų80.43%0.03143%0.426CS..EExtended strand (participates in β ladder)trans-133158.4-179.8-61.6-100.4000110.8K15 I38 L39 I41 V66 A70 E71K15-F17 HydrophobicContact CB-CD2 4.41Å; K15-F17 HydrophobicContact CB-CE2 3.59Å; K15-F17 HydrophobicContact CB-CZ 4.28Å; K15-F17 HydrophobicContact CD-CE2 4.47Å; K15-F17 HydrophobicContact CD-CZ 4.49Å; F17-I38 CarbonylContact O-C 3.53Å; F17-I38 WeakPolarHBondContact O-CA 3.18Å; F17-L39 HydrophobicContact CB-CB 4.32Å; F17-L39 PolarHBondContact N-O 2.86Å; F17-L39 PolarHBondContact O-N 3.25Å; F17-I41 HydrophobicContact CD2-CG1 3.63Å; F17-I41 HydrophobicContact CE2-CB 4.28Å; F17-I41 HydrophobicContact CE2-CG1 3.73Å; F17-V66 HydrophobicContact CD1-CG1 3.68Å; F17-V66 HydrophobicContact CD2-CG1 3.9Å; F17-V66 HydrophobicContact CE1-CG1 3.64Å; F17-V66 HydrophobicContact CE2-CG1 3.85Å; F17-V66 HydrophobicContact CG-CG1 3.82Å; F17-V66 HydrophobicContact CZ-CG1 3.73Å; F17-A70 HydrophobicContact CB-CB 4Å; F17-A70 HydrophobicContact CD1-CB 4.22Å; F17-A70 HydrophobicContact CG-CB 4.45Å; F17-E71 CarbonylContact C-O 3.44Å; F17-E71 WeakPolarHBondContact CA-O 3.27Å
18R97.8Very high82.6Confident86 Ų8678 Ų7833%0.32543%0.429SS..EExtended strand (participates in β ladder)trans-105.5126.4165.7-174.5177-58.3-73.2-4109.4L20 G36 D37 A70 E71 I73R18-L20 PolarHBondContact O-N 3.36Å; R18-G36 PolarHBondContact NH1-O 3.11Å; R18-D37 CarbonylContact C-O 3.57Å; R18-D37 WeakPolarHBondContact CA-O 3.46Å; R18-A70 CarbonylContact O-C 3.57Å; R18-A70 VanDerWaalsContact O-CA 3.25Å; R18-A70 WeakPolarHBondContact O-CA 3.28Å; R18-E71 HydrophobicContact CB-CB 4.45Å; R18-E71 PolarHBondContact N-O 2.95Å; R18-E71 PolarHBondContact O-N 3.34Å; R18-I73 HydrophobicContact CB-CD1 4.2Å
19A97.7Very high85.1Confident1 Ų177.6 Ų77.61%0.00842%0.42CS..EExtended strand (participates in β ladder)trans-63.9126.9170.800000109.8F33 E34 G36 D37 L39 Y65A19-F33 HydrophobicContact CB-CD2 3.88Å; A19-F33 HydrophobicContact CB-CE2 4.22Å; A19-E34 WeakPolarHBondContact CB-O 3.16Å; A19-G36 WeakPolarHBondContact O-CA 3.39Å; A19-G36 PolarHBondContact O-N 3.32Å; A19-D37 HydrophobicContact CB-CB 4.38Å; A19-D37 PolarHBondContact N-O 3.49Å; A19-L39 HydrophobicContact CB-CD1 4.4Å; A19-Y65 WeakPolarHBondContact CA-OH 3.28Å; A19-Y65 VanDerWaalsContact CB-OH 3.27Å; A19-Y65 WeakPolarHBondContact CB-OH 3.39Å
20L97.3Very high87.8Confident68 Ų6877 Ų7736%0.35641%0.412SS..SBendtrans-91.9-17.4174.9-59175.9000112.2R18 E35 Q69 E71R18-L20 PolarHBondContact O-N 3.36Å; L20-E35 WeakPolarHBondContact O-CG 3.25Å; L20-Q69 VanDerWaalsContact CB-O 3.24Å; L20-Q69 WeakPolarHBondContact CB-O 3.29Å; L20-Q69 PolarHBondContact N-O 2.86Å; L20-E71 HydrophobicContact CD2-CB 4.13Å; L20-E71 HydrophobicContact CG-CB 4.48Å
21F96.8Very high90.4Very high118 Ų11869.8 Ų69.852%0.51838%0.381SS..SBendtrans-144150.8178.7-59.8-75.9000110.2Y65 Q69F21-Y65 PolarHBondContact O-OH 3.45Å; F21-Q69 HydrophobicContact CD2-CB 4.02Å; F21-Q69 HydrophobicContact CD2-CG 4.08Å
22T97.4Very high93.1Very high64 Ų6466.4 Ų66.439%0.39335%0.351SS..  trans-62.2145173.8-59.50000111.5Y32 F33 E35T22-Y32 HydrophobicContact CG2-CE2 4.14Å; T22-F33 WeakPolarHBondContact CA-O 3.43Å; T22-F33 WeakPolarHBondContact CG2-O 3.5Å; T22-E35 PolarHBondContact OG1-N 3.33Å
23F97.1Very high95Very high28 Ų2862.7 Ų62.712%0.12331%0.312CS..BIsolated β-bridgetrans-124.4119.2173.4178.4-96.4000110.8E30 L31 Y32 F33 P62 Y65F23-E30 HydrophobicContact CE1-CB 4.3Å; F23-L31 WeakPolarHBondContact CD1-O 3.19Å; F23-Y32 WeakPolarHBondContact O-CD2 3.38Å; F23-F33 HydrophobicContact CB-CD1 4.44Å; F23-F33 HydrophobicContact CB-CD2 3.91Å; F23-F33 HydrophobicContact CB-CE1 3.87Å; F23-F33 HydrophobicContact CB-CE2 3.22Å; F23-F33 HydrophobicContact CB-CG 4.47Å; F23-F33 HydrophobicContact CB-CZ 3.21Å; F23-F33 HydrophobicContact CD1-CD1 4.49Å; F23-F33 AromaticContact CD1-CE1 3.73Å; F23-F33 HydrophobicContact CD1-CE1 3.73Å; F23-F33 AromaticContact CD1-CZ 3.82Å; F23-F33 HydrophobicContact CD1-CZ 3.82Å; F23-F33 HydrophobicContact CG-CE1 4.04Å; F23-F33 HydrophobicContact CG-CE2 4.15Å; F23-F33 AromaticContact CG-CZ 3.62Å; F23-F33 HydrophobicContact CG-CZ 3.62Å; F23-F33 PolarHBondContact N-O 3.33Å; F23-P62 HydrophobicContact CD2-CG 4.44Å; F23-P62 HydrophobicContact CE1-CG 4.34Å; F23-P62 HydrophobicContact CE2-CG 3.51Å; F23-P62 HydrophobicContact CZ-CG 3.45Å; F23-P62 VanDerWaalsContact CZ-CG 3.45Å; F23-Y65 HydrophobicContact CB-CD2 4.38Å; F23-Y65 HydrophobicContact CB-CE2 4.18Å; F23-Y65 HydrophobicContact CD2-CD2 4.12Å
24D96.7Very high96Very high114 Ų11460.8 Ų60.861%0.6130%0.303SS*.  trans-93.5120.4176.1-68.4-69000110.5
25P95.6Very high96.2Very high52 Ų5266.1 Ų66.134%0.33833%0.327SS..  trans-70139.9-177.529.6-35.6000111.4E30P25-E30 HydrophobicContact CB-CB 3.46Å; P25-E30 VanDerWaalsContact CB-CB 3.46Å; P25-E30 WeakPolarHBondContact CB-O 3.4Å
26R94.2Very high96.3Very high189 Ų18965.4 Ų65.471%0.71333%0.332SS*.SBendtrans-95.9-20.6175.9-61.3170.9-63.2-178.82.1112.7E30R26-E30 PolarHBondContact N-OE2 3.45Å; R26-E30 IonicContact NE-OE1 3.88Å; R26-E30 IonicContact NE-OE2 3.71Å; R26-E30 IonicContact NH2-OE1 3.89Å
27T93.7Very high96.4Very high62 Ų6266.1 Ų66.138%0.3834%0.336SS..SBendtrans-129156.4179650000110.2D29 E30T27-D29 PolarHBondContact O-N 3.17Å; T27-E30 WeakPolarHBondContact O-CB 3.49Å; T27-E30 PolarHBondContact O-N 3.24Å; T27-E30 VanDerWaalsContact O-N 3.14Å; T27-E30 VanDerWaalsContact OG1-CG 3.27Å; T27-E30 WeakPolarHBondContact OG1-CG 3.36Å; T27-E30 PolarHBondContact OG1-OE1 3.3Å; T27-E30 VanDerWaalsContact OG1-OE1 3.06Å
28P92.9Very high96.4Very high134 Ų13466.7 Ų66.787%0.8734%0.339SS*.THydrogen-bonded Turntrans-63-21.5-178.7-23.835.1000114.7
29D94.1Very high96.4Very high114 Ų11462.6 Ų62.661%0.6132%0.323SS*.THydrogen-bonded Turntrans-84.5-15.3-179.8-57.5-43.4000112.5T27 G59 L60T27-D29 PolarHBondContact O-N 3.17Å; D29-G59 WeakPolarHBondContact O-CA 3.44Å; D29-L60 HydrophobicContact CB-CD1 4.18Å; D29-L60 PolarHBondContact O-N 3.49Å
30E96.2Very high96.4Very high16 Ų1662.6 Ų62.68%0.07532%0.323CS..BIsolated β-bridgetrans-78.3145.1177.1-76.5170.8-144.700111.7F23 P25 R26 T27 W49 L60F23-E30 HydrophobicContact CE1-CB 4.3Å; P25-E30 HydrophobicContact CB-CB 3.46Å; P25-E30 VanDerWaalsContact CB-CB 3.46Å; P25-E30 WeakPolarHBondContact CB-O 3.4Å; R26-E30 PolarHBondContact N-OE2 3.45Å; R26-E30 IonicContact NE-OE1 3.88Å; R26-E30 IonicContact NE-OE2 3.71Å; R26-E30 IonicContact NH2-OE1 3.89Å; T27-E30 WeakPolarHBondContact O-CB 3.49Å; T27-E30 PolarHBondContact O-N 3.24Å; T27-E30 VanDerWaalsContact O-N 3.14Å; T27-E30 VanDerWaalsContact OG1-CG 3.27Å; T27-E30 WeakPolarHBondContact OG1-CG 3.36Å; T27-E30 PolarHBondContact OG1-OE1 3.3Å; T27-E30 VanDerWaalsContact OG1-OE1 3.06Å; E30-W49 HydrophobicContact CG-CH2 3.53Å; E30-W49 HydrophobicContact CG-CZ3 3.51Å; E30-W49 WeakPolarHBondContact OE1-CH2 3.41Å; E30-L60 WeakPolarHBondContact CA-O 3.4Å
31L96.1Very high96.3Very high6 Ų659.5 Ų59.53%0.03131%0.307CS..PPolyproline II helixtrans-93.5125.5-174.4-150.6134.8000112F23 F33 C54 R57 L60 I61F23-L31 WeakPolarHBondContact CD1-O 3.19Å; L31-F33 HydrophobicContact CB-CD1 4.36Å; L31-F33 HydrophobicContact CD2-CB 4.44Å; L31-F33 HydrophobicContact CD2-CD1 3.83Å; L31-F33 VanDerWaalsContact O-CD1 3.24Å; L31-F33 WeakPolarHBondContact O-CD1 3.35Å; L31-F33 WeakPolarHBondContact O-CE1 3.34Å; L31-C54 HydrophobicContact CD2-CB 3.48Å; L31-C54 VanDerWaalsContact CD2-CB 3.48Å; L31-R57 HydrophobicContact CD1-CB 4.42Å; L31-R57 WeakPolarHBondContact CD1-O 3.16Å; L31-L60 PolarHBondContact N-O 3.33Å; L31-I61 HydrophobicContact CB-CG1 4.12Å
32Y96.9Very high96.2Very high68 Ų6856.5 Ų56.527%0.26730%0.301SS..PPolyproline II helixtrans-80.5131.5168.4173.6-93.6000111.7T22 F23 E34 R57T22-Y32 HydrophobicContact CG2-CE2 4.14Å; F23-Y32 WeakPolarHBondContact O-CD2 3.38Å; Y32-E34 HydrophobicContact CE1-CG 3.93Å; Y32-E34 VanDerWaalsContact OH-CG 3.3Å; Y32-E34 WeakPolarHBondContact OH-CG 3.46Å; Y32-E34 PolarHBondContact OH-OE1 3.3Å; Y32-R57 PolarHBondContact O-NH2 3.19Å
33F97.4Very high96Very high0 Ų056.8 Ų56.80%030%0.3CS..BIsolated β-bridgetrans-152.3154.2173.751.7-97000111.2A19 T22 F23 L31 D37 L39 C54 I61 Y65A19-F33 HydrophobicContact CB-CD2 3.88Å; A19-F33 HydrophobicContact CB-CE2 4.22Å; T22-F33 WeakPolarHBondContact CA-O 3.43Å; T22-F33 WeakPolarHBondContact CG2-O 3.5Å; F23-F33 HydrophobicContact CB-CD1 4.44Å; F23-F33 HydrophobicContact CB-CD2 3.91Å; F23-F33 HydrophobicContact CB-CE1 3.87Å; F23-F33 HydrophobicContact CB-CE2 3.22Å; F23-F33 HydrophobicContact CB-CG 4.47Å; F23-F33 HydrophobicContact CB-CZ 3.21Å; F23-F33 HydrophobicContact CD1-CD1 4.49Å; F23-F33 AromaticContact CD1-CE1 3.73Å; F23-F33 HydrophobicContact CD1-CE1 3.73Å; F23-F33 AromaticContact CD1-CZ 3.82Å; F23-F33 HydrophobicContact CD1-CZ 3.82Å; F23-F33 HydrophobicContact CG-CE1 4.04Å; F23-F33 HydrophobicContact CG-CE2 4.15Å; F23-F33 AromaticContact CG-CZ 3.62Å; F23-F33 HydrophobicContact CG-CZ 3.62Å; F23-F33 PolarHBondContact N-O 3.33Å; L31-F33 HydrophobicContact CB-CD1 4.36Å; L31-F33 HydrophobicContact CD2-CB 4.44Å; L31-F33 HydrophobicContact CD2-CD1 3.83Å; L31-F33 VanDerWaalsContact O-CD1 3.24Å; L31-F33 WeakPolarHBondContact O-CD1 3.35Å; L31-F33 WeakPolarHBondContact O-CE1 3.34Å; F33-D37 HydrophobicContact CB-CB 4.18Å; F33-L39 HydrophobicContact CB-CD2 4.05Å; F33-L39 HydrophobicContact CD1-CD2 3.86Å; F33-L39 HydrophobicContact CD2-CD2 4.01Å; F33-L39 HydrophobicContact CE1-CD2 4.33Å; F33-L39 HydrophobicContact CE2-CD1 4.25Å; F33-L39 HydrophobicContact CE2-CD2 4.46Å; F33-L39 HydrophobicContact CG-CD2 3.69Å; F33-L39 HydrophobicContact CZ-CD1 4.27Å; F33-C54 HydrophobicContact CB-CB 4.43Å; F33-I61 HydrophobicContact CE1-CD1 4.34Å; F33-I61 HydrophobicContact CE1-CG1 4.13Å; F33-I61 HydrophobicContact CE1-CG2 3.96Å; F33-I61 HydrophobicContact CZ-CG2 4.03Å; F33-Y65 HydrophobicContact CE2-CD1 4.05Å; F33-Y65 AromaticContact CE2-CE1 3.37Å; F33-Y65 HydrophobicContact CE2-CE1 3.37Å; F33-Y65 AromaticContact CE2-CE2 3.94Å; F33-Y65 HydrophobicContact CE2-CE2 3.94Å; F33-Y65 AromaticContact CE2-CZ 3.33Å; F33-Y65 WeakPolarHBondContact CE2-OH 3.23Å; F33-Y65 AromaticContact CZ-CD1 3.74Å; F33-Y65 HydrophobicContact CZ-CD1 3.74Å; F33-Y65 AromaticContact CZ-CE1 3.55Å; F33-Y65 HydrophobicContact CZ-CE1 3.55Å; F33-Y65 HydrophobicContact CZ-CE2 4.33Å; F33-Y65 HydrophobicContact CZ-CG 4.3Å; F33-Y65 AromaticContact CZ-CZ 3.89Å
34E97.9Very high95.8Very high74 Ų7457.5 Ų57.535%0.34631%0.306SS..  trans-102.4165.2-176.4-66.5174.5154.800112.1A19 Y32 G36 D37 R55A19-E34 WeakPolarHBondContact CB-O 3.16Å; Y32-E34 HydrophobicContact CE1-CG 3.93Å; Y32-E34 VanDerWaalsContact OH-CG 3.3Å; Y32-E34 WeakPolarHBondContact OH-CG 3.46Å; Y32-E34 PolarHBondContact OH-OE1 3.3Å; E34-G36 PolarHBondContact O-N 3.32Å; E34-D37 PolarHBondContact N-OD2 3.22Å; E34-D37 VanDerWaalsContact O-CB 3.28Å; E34-D37 WeakPolarHBondContact O-CB 2.96Å; E34-D37 PolarHBondContact O-N 3.37Å; E34-D37 VanDerWaalsContact O-N 3.16Å; E34-R55 IonicContact OE2-CZ 3.6Å; E34-R55 IonicContact OE2-NH1 3.21Å; E34-R55 PolarHBondContact OE2-NH1 3.49Å; E34-R55 IonicContact OE2-NH2 3.81Å; E34-R55 PolarHBondContact OE2-NH2 3.3Å
35E97.3Very high95.5Very high138 Ų13856.8 Ų56.865%0.64531%0.311SS*.THydrogen-bonded Turntrans-51.9132.1167.7178.3178.8168.200111.3L20 T22 D37L20-E35 WeakPolarHBondContact O-CG 3.25Å; T22-E35 PolarHBondContact OG1-N 3.33Å; E35-D37 VanDerWaalsContact C-N 3.33Å
36G95.8Very high95.3Very high30 Ų3058 Ų5831%0.30931%0.314SS..THydrogen-bonded Turntrans90.2-13179.800000114.9R18 A19 E34R18-G36 PolarHBondContact NH1-O 3.11Å; A19-G36 WeakPolarHBondContact O-CA 3.39Å; A19-G36 PolarHBondContact O-N 3.32Å; E34-G36 PolarHBondContact O-N 3.32Å
37D97.4Very high95.2Very high19 Ų1953.4 Ų53.410%0.10231%0.311CS..  trans-62.2150.9178.4-85.2-21.2000113.2R18 A19 F33 E34 E35 R55R18-D37 CarbonylContact C-O 3.57Å; R18-D37 WeakPolarHBondContact CA-O 3.46Å; A19-D37 HydrophobicContact CB-CB 4.38Å; A19-D37 PolarHBondContact N-O 3.49Å; F33-D37 HydrophobicContact CB-CB 4.18Å; E34-D37 PolarHBondContact N-OD2 3.22Å; E34-D37 VanDerWaalsContact O-CB 3.28Å; E34-D37 WeakPolarHBondContact O-CB 2.96Å; E34-D37 PolarHBondContact O-N 3.37Å; E34-D37 VanDerWaalsContact O-N 3.16Å; E35-D37 VanDerWaalsContact C-N 3.33Å; D37-R55 VanDerWaalsContact CG-NH2 3.25Å; D37-R55 IonicContact OD1-CZ 2.93Å; D37-R55 IonicContact OD1-NE 2.69Å; D37-R55 PolarHBondContact OD1-NE 3Å; D37-R55 IonicContact OD1-NH2 2.7Å; D37-R55 PolarHBondContact OD1-NH2 2.94Å; D37-R55 IonicContact OD2-CZ 3.41Å; D37-R55 IonicContact OD2-NE 3.13Å; D37-R55 PolarHBondContact OD2-NE 3.26Å; D37-R55 IonicContact OD2-NH1 3.07Å; D37-R55 IonicContact OD2-NH2 3.87Å; D37-R55 PolarHBondContact OD2-NH2 3.42Å; D37-R55 VanDerWaalsContact OD2-NH2 3.12Å
38I97.6Very high95.2Very high19 Ų1955.3 Ų55.310%0.09732%0.319CS..EExtended strand (participates in β ladder)trans-94.1127.5176.2-51.1-57.1000109.7V16 F17 Y40 C54 I73V16-I38 HydrophobicContact CG1-CG2 3.38Å; F17-I38 CarbonylContact O-C 3.53Å; F17-I38 WeakPolarHBondContact O-CA 3.18Å; I38-Y40 HydrophobicContact CB-CE2 4.05Å; I38-Y40 HydrophobicContact CG2-CD2 4.23Å; I38-Y40 HydrophobicContact CG2-CE1 4.23Å; I38-Y40 HydrophobicContact CG2-CE2 3.56Å; I38-C54 PolarHBondContact O-SG 3.38Å; I38-I73 HydrophobicContact CD1-CD1 3.92Å
39L97.8Very high95.3Very high0 Ų052.4 Ų52.40%029%0.291CS..EExtended strand (participates in β ladder)trans-109.2124.4179-48.8179.5000109.4V16 F17 A19 F33 I41 C54 I61 Y65V16-L39 CarbonylContact C-O 3.47Å; V16-L39 WeakPolarHBondContact CA-O 3.47Å; F17-L39 HydrophobicContact CB-CB 4.32Å; F17-L39 PolarHBondContact N-O 2.86Å; F17-L39 PolarHBondContact O-N 3.25Å; A19-L39 HydrophobicContact CB-CD1 4.4Å; F33-L39 HydrophobicContact CB-CD2 4.05Å; F33-L39 HydrophobicContact CD1-CD2 3.86Å; F33-L39 HydrophobicContact CD2-CD2 4.01Å; F33-L39 HydrophobicContact CE1-CD2 4.33Å; F33-L39 HydrophobicContact CE2-CD1 4.25Å; F33-L39 HydrophobicContact CE2-CD2 4.46Å; F33-L39 HydrophobicContact CG-CD2 3.69Å; F33-L39 HydrophobicContact CZ-CD1 4.27Å; L39-I41 HydrophobicContact CB-CD1 4.36Å; L39-C54 HydrophobicContact CD2-CB 3.7Å; L39-I61 HydrophobicContact CB-CD1 4.46Å; L39-I61 HydrophobicContact CD1-CD1 4.5Å; L39-I61 HydrophobicContact CD2-CD1 4.36Å; L39-Y65 HydrophobicContact CD1-CE1 4Å
40Y97.4Very high95.4Very high2 Ų248.8 Ų48.81%0.00827%0.268CS..EExtended strand (participates in β ladder)trans-105.397.4177.1-61.3-91.8000109.4V14 V16 I38 G52 T53 W88 E91 N95 V97V14-Y40 HydrophobicContact CG1-CD1 4.34Å; V16-Y40 HydrophobicContact CG1-CD1 4.26Å; V16-Y40 HydrophobicContact CG1-CE1 4.08Å; V16-Y40 HydrophobicContact CG2-CD1 3.64Å; V16-Y40 HydrophobicContact CG2-CE1 3.91Å; I38-Y40 HydrophobicContact CB-CE2 4.05Å; I38-Y40 HydrophobicContact CG2-CD2 4.23Å; I38-Y40 HydrophobicContact CG2-CE1 4.23Å; I38-Y40 HydrophobicContact CG2-CE2 3.56Å; Y40-G52 CarbonylContact O-C 3.51Å; Y40-G52 WeakPolarHBondContact O-CA 3.46Å; Y40-T53 PolarHBondContact N-O 3.2Å; Y40-T53 PolarHBondContact O-N 3.35Å; Y40-W88 PolarHBondContact OH-NE1 3.32Å; Y40-E91 HydrophobicContact CE2-CG 3.79Å; Y40-E91 WeakPolarHBondContact CE2-OE1 3.47Å; Y40-E91 VanDerWaalsContact OH-CD 3.31Å; Y40-E91 VanDerWaalsContact OH-CG 3.29Å; Y40-E91 WeakPolarHBondContact OH-CG 3.39Å; Y40-N95 HydrophobicContact CD1-CB 3.35Å; Y40-N95 HydrophobicContact CD2-CB 4.2Å; Y40-N95 HydrophobicContact CE1-CB 3.88Å; Y40-N95 HydrophobicContact CG-CB 3.54Å; Y40-N95 VanDerWaalsContact CG-CG 3.44Å; Y40-V97 HydrophobicContact CD1-CG2 4.04Å; Y40-V97 HydrophobicContact CE1-CG2 4.06Å
41I96.5Very high95.4Very high2 Ų253.1 Ų53.11%0.0129%0.287CS..EExtended strand (participates in β ladder)trans-85.1116-177.4-52-58000109.6V14 K15 F17 L39 T44 W50 I61 V66V14-I41 WeakPolarHBondContact CA-O 3.43Å; K15-I41 HydrophobicContact CB-CB 4.41Å; K15-I41 PolarHBondContact N-O 2.86Å; K15-I41 PolarHBondContact O-N 3.26Å; F17-I41 HydrophobicContact CD2-CG1 3.63Å; F17-I41 HydrophobicContact CE2-CB 4.28Å; F17-I41 HydrophobicContact CE2-CG1 3.73Å; L39-I41 HydrophobicContact CB-CD1 4.36Å; I41-T44 HydrophobicContact CG2-CG2 3.53Å; I41-W50 HydrophobicContact CG2-CB 4.02Å; I41-W50 HydrophobicContact CG2-CD2 4.36Å; I41-W50 HydrophobicContact CG2-CE3 3.93Å; I41-W50 HydrophobicContact CG2-CG 4.44Å; I41-I61 HydrophobicContact CD1-CD1 3.73Å; I41-V66 HydrophobicContact CD1-CG2 4.26Å
42S94.1Very high95.4Very high56 Ų5652.8 Ų52.839%0.39229%0.285SS..EExtended strand (participates in β ladder)trans-101.3-27.1-175.564.30000114.1K51S42-K51 PolarHBondContact N-O 3.14Å; S42-K51 PolarHBondContact OG-O 3.24Å
43D92.4Very high95.4Very high70 Ų7050.5 Ų50.537%0.37428%0.278SS..EExtended strand (participates in β ladder)trans-140.3126.3-178.4-166.2-14.6000110.1S45 W50 K51D43-S45 WeakPolarHBondContact OD1-CB 3.19Å; D43-S45 PolarHBondContact OD1-N 3.3Å; D43-S45 PolarHBondContact OD1-OG 3.48Å; D43-S45 PolarHBondContact OD2-OG 2.76Å; D43-W50 WeakPolarHBondContact O-CA 3.45Å; D43-W50 WeakPolarHBondContact O-CB 3.25Å; D43-K51 HydrophobicContact CB-CB 3.8Å; D43-K51 PolarHBondContact N-O 3.25Å; D43-K51 PolarHBondContact O-N 3.1Å
44T93Very high95.3Very high42 Ų4250.5 Ų50.526%0.25828%0.279SS..  trans-124.725.4177.569.70000111.5I41 W50I41-T44 HydrophobicContact CG2-CG2 3.53Å; T44-W50 HydrophobicContact CG2-CD2 3.7Å; T44-W50 HydrophobicContact CG2-CE3 3.96Å; T44-W50 HydrophobicContact CG2-CG 4.05Å; T44-W50 HydrophobicContact CG2-CZ2 4.31Å; T44-W50 HydrophobicContact CG2-CZ3 4.37Å
45S90.3Very high95.1Very high100 Ų10052.7 Ų52.770%0.69928%0.284SS*.  trans-70.3-35.2-178.155.10000112.8D43D43-S45 WeakPolarHBondContact OD1-CB 3.19Å; D43-S45 PolarHBondContact OD1-N 3.3Å; D43-S45 PolarHBondContact OD1-OG 3.48Å; D43-S45 PolarHBondContact OD2-OG 2.76Å
46D92.2Very high94.8Very high77 Ų7749.5 Ų49.541%0.41229%0.288SS..SBendtrans-83.6141.9174.5-175.7-68.1000111.1N48 W49 W50D46-N48 WeakPolarHBondContact OD1-CA 3.37Å; D46-N48 PolarHBondContact OD1-N 2.87Å; D46-W49 WeakPolarHBondContact CB-O 3.4Å; D46-W49 PolarHBondContact OD1-N 3.44Å; D46-W50 PolarHBondContact O-NE1 3.31Å
47S91.9Very high94.7Very high92 Ų9254.4 Ų54.464%0.64330%0.297SS*.SBendtrans-74.5-26-17553.60000113.7S63S47-S63 WeakPolarHBondContact O-CB 3.39Å; S47-S63 PolarHBondContact O-OG 3.09Å
48N93.8Very high94.6Very high102 Ų10257.5 Ų57.555%0.54532%0.316SS..SBendtrans-110.6-31.4-172.8-63.6-38.7000112.6D46 P62 S63D46-N48 WeakPolarHBondContact OD1-CA 3.37Å; D46-N48 PolarHBondContact OD1-N 2.87Å; N48-P62 WeakPolarHBondContact O-CA 3.03Å; N48-S63 WeakPolarHBondContact CA-OG 3.22Å; N48-S63 PolarHBondContact O-N 3.36Å; N48-S63 PolarHBondContact O-OG 3.19Å
49W94.4Very high94.6Very high74 Ų7457.2 Ų57.228%0.2832%0.318SS..EExtended strand (participates in β ladder)trans-130.8115.7-172-70.3104.1000112.1E30 D46 L60 P62E30-W49 HydrophobicContact CG-CH2 3.53Å; E30-W49 HydrophobicContact CG-CZ3 3.51Å; E30-W49 WeakPolarHBondContact OE1-CH2 3.41Å; D46-W49 WeakPolarHBondContact CB-O 3.4Å; D46-W49 PolarHBondContact OD1-N 3.44Å; W49-L60 HydrophobicContact CB-CD2 4.44Å; W49-L60 HydrophobicContact CD2-CB 4.46Å; W49-L60 HydrophobicContact CE3-CB 3.72Å; W49-L60 HydrophobicContact CZ3-CB 4.24Å; W49-P62 HydrophobicContact CE3-CB 4.43Å; W49-P62 HydrophobicContact CE3-CG 4.19Å; W49-P62 HydrophobicContact CH2-CB 4.48Å; W49-P62 HydrophobicContact CH2-CG 3.81Å; W49-P62 HydrophobicContact CZ3-CB 4.12Å; W49-P62 HydrophobicContact CZ3-CG 3.47Å; W49-P62 VanDerWaalsContact CZ3-CG 3.47Å
50W96.6Very high94.5Very high37 Ų3760.1 Ų60.114%0.1433%0.334CS..EExtended strand (participates in β ladder)trans-99.1145.4177.2-66.6-7.7000111.1I41 D43 T44 D46 L60 I61 S63 V66I41-W50 HydrophobicContact CG2-CB 4.02Å; I41-W50 HydrophobicContact CG2-CD2 4.36Å; I41-W50 HydrophobicContact CG2-CE3 3.93Å; I41-W50 HydrophobicContact CG2-CG 4.44Å; D43-W50 WeakPolarHBondContact O-CA 3.45Å; D43-W50 WeakPolarHBondContact O-CB 3.25Å; T44-W50 HydrophobicContact CG2-CD2 3.7Å; T44-W50 HydrophobicContact CG2-CE3 3.96Å; T44-W50 HydrophobicContact CG2-CG 4.05Å; T44-W50 HydrophobicContact CG2-CZ2 4.31Å; T44-W50 HydrophobicContact CG2-CZ3 4.37Å; D46-W50 PolarHBondContact O-NE1 3.31Å; W50-L60 CarbonylContact O-C 3.6Å; W50-L60 WeakPolarHBondContact O-CA 3.47Å; W50-I61 PolarHBondContact N-O 3.22Å; W50-I61 PolarHBondContact O-N 3.46Å; W50-S63 VanDerWaalsContact CE2-CB 3.47Å; W50-V66 HydrophobicContact CE3-CB 3.95Å; W50-V66 HydrophobicContact CE3-CG1 4.05Å; W50-V66 HydrophobicContact CE3-CG2 4.02Å; W50-V66 HydrophobicContact CZ3-CB 3.74Å; W50-V66 HydrophobicContact CZ3-CG1 3.61Å; W50-V66 HydrophobicContact CZ3-CG2 4.33Å
51K95.8Very high94.5Very high107 Ų10760 Ų6047%0.46533%0.333SS..EExtended strand (participates in β ladder)trans-88121.5173.9-168.9178-179.2173.10109.6S42 D43 T58S42-K51 PolarHBondContact N-O 3.14Å; S42-K51 PolarHBondContact OG-O 3.24Å; D43-K51 HydrophobicContact CB-CB 3.8Å; D43-K51 PolarHBondContact N-O 3.25Å; D43-K51 PolarHBondContact O-N 3.1Å; K51-T58 HydrophobicContact CD-CG2 4.46Å; K51-T58 HydrophobicContact CG-CG2 4.08Å
52G95.8Very high94.5Very high0 Ų060.3 Ų60.30%034%0.335CS..EExtended strand (participates in β ladder)trans-140.9167.3178.800000113.7Y40 T58 G59Y40-G52 CarbonylContact O-C 3.51Å; Y40-G52 WeakPolarHBondContact O-CA 3.46Å; G52-T58 WeakPolarHBondContact O-CA 3.33Å; G52-G59 PolarHBondContact N-O 3.44Å; G52-G59 PolarHBondContact O-N 3.06Å
53T97.2Very high94.6Very high19 Ų1958.4 Ų58.412%0.11732%0.322CS..EExtended strand (participates in β ladder)trans-117.2138.9174.5-580000109.5Y40 R57 T58 N95Y40-T53 PolarHBondContact N-O 3.2Å; Y40-T53 PolarHBondContact O-N 3.35Å; T53-R57 CarbonylContact C-O 3.49Å; T53-R57 WeakPolarHBondContact CA-O 3.46Å; T53-R57 VanDerWaalsContact CG2-O 3.27Å; T53-R57 WeakPolarHBondContact CG2-O 3.28Å; T53-T58 PolarHBondContact OG1-OG1 3.36Å; T53-N95 VanDerWaalsContact CB-OD1 3.24Å; T53-N95 WeakPolarHBondContact CB-OD1 3.43Å; T53-N95 VanDerWaalsContact CG2-OD1 3.24Å; T53-N95 WeakPolarHBondContact CG2-OD1 3.49Å
54C96.3Very high94.7Very high1 Ų159.5 Ų59.51%0.00733%0.328CS..EExtended strand (participates in β ladder)trans-148.5138.6168.7-179.90000109.1L31 F33 I38 L39 G56 R57L31-C54 HydrophobicContact CD2-CB 3.48Å; L31-C54 VanDerWaalsContact CD2-CB 3.48Å; F33-C54 HydrophobicContact CB-CB 4.43Å; I38-C54 PolarHBondContact O-SG 3.38Å; L39-C54 HydrophobicContact CD2-CB 3.7Å; C54-G56 PolarHBondContact O-N 3.44Å; C54-G56 VanDerWaalsContact O-N 3.12Å; C54-R57 PolarHBondContact N-O 3.01Å; C54-R57 PolarHBondContact O-N 3.15Å
55R92.5Very high94.9Very high120 Ų12057.9 Ų57.945%0.45332%0.317SS..THydrogen-bonded Turntrans49.139.1-177.6-62.3178.7175.7-174.61.8113E34 D37 R57E34-R55 IonicContact OE2-CZ 3.6Å; E34-R55 IonicContact OE2-NH1 3.21Å; E34-R55 PolarHBondContact OE2-NH1 3.49Å; E34-R55 IonicContact OE2-NH2 3.81Å; E34-R55 PolarHBondContact OE2-NH2 3.3Å; D37-R55 VanDerWaalsContact CG-NH2 3.25Å; D37-R55 IonicContact OD1-CZ 2.93Å; D37-R55 IonicContact OD1-NE 2.69Å; D37-R55 PolarHBondContact OD1-NE 3Å; D37-R55 IonicContact OD1-NH2 2.7Å; D37-R55 PolarHBondContact OD1-NH2 2.94Å; D37-R55 IonicContact OD2-CZ 3.41Å; D37-R55 IonicContact OD2-NE 3.13Å; D37-R55 PolarHBondContact OD2-NE 3.26Å; D37-R55 IonicContact OD2-NH1 3.07Å; D37-R55 IonicContact OD2-NH2 3.87Å; D37-R55 PolarHBondContact OD2-NH2 3.42Å; D37-R55 VanDerWaalsContact OD2-NH2 3.12Å; R55-R57 PolarHBondContact O-N 3.41Å
56G91.6Very high95.1Very high71 Ų7153.2 Ų53.273%0.73228%0.284SS*.THydrogen-bonded Turntrans73.80.5-18000000116.1C54C54-G56 PolarHBondContact O-N 3.44Å; C54-G56 VanDerWaalsContact O-N 3.12Å
57R94.6Very high95.1Very high132 Ų13252.7 Ų52.750%0.49829%0.291SS..EExtended strand (participates in β ladder)trans-98.1145.2173-63.6-170.9-64.5-164.11109.9L31 Y32 T53 C54 R55L31-R57 HydrophobicContact CD1-CB 4.42Å; L31-R57 WeakPolarHBondContact CD1-O 3.16Å; Y32-R57 PolarHBondContact O-NH2 3.19Å; T53-R57 CarbonylContact C-O 3.49Å; T53-R57 WeakPolarHBondContact CA-O 3.46Å; T53-R57 VanDerWaalsContact CG2-O 3.27Å; T53-R57 WeakPolarHBondContact CG2-O 3.28Å; C54-R57 PolarHBondContact N-O 3.01Å; C54-R57 PolarHBondContact O-N 3.15Å; R55-R57 PolarHBondContact O-N 3.41Å
58T95.8Very high95.2Very high84 Ų8455.4 Ų55.452%0.51529%0.293SS..EExtended strand (participates in β ladder)trans-115.8140.5174.5-58.30000109.7K51 G52 T53K51-T58 HydrophobicContact CD-CG2 4.46Å; K51-T58 HydrophobicContact CG-CG2 4.08Å; G52-T58 WeakPolarHBondContact O-CA 3.33Å; T53-T58 PolarHBondContact OG1-OG1 3.36Å
59G95.8Very high95.3Very high13 Ų1353.9 Ų53.913%0.13428%0.283CS..EExtended strand (participates in β ladder)trans-177-170.1-174.300000111.8D29 G52D29-G59 WeakPolarHBondContact O-CA 3.44Å; G52-G59 PolarHBondContact N-O 3.44Å; G52-G59 PolarHBondContact O-N 3.06Å
60L97.1Very high95.3Very high62 Ų6251.1 Ų51.133%0.32528%0.275SS..EExtended strand (participates in β ladder)trans-90.4136.4-179.4-60.7178.5000110.9D29 E30 L31 W49 W50D29-L60 HydrophobicContact CB-CD1 4.18Å; D29-L60 PolarHBondContact O-N 3.49Å; E30-L60 WeakPolarHBondContact CA-O 3.4Å; L31-L60 PolarHBondContact N-O 3.33Å; W49-L60 HydrophobicContact CB-CD2 4.44Å; W49-L60 HydrophobicContact CD2-CB 4.46Å; W49-L60 HydrophobicContact CE3-CB 3.72Å; W49-L60 HydrophobicContact CZ3-CB 4.24Å; W50-L60 CarbonylContact O-C 3.6Å; W50-L60 WeakPolarHBondContact O-CA 3.47Å
61I96.8Very high95.3Very high0 Ų054.8 Ų54.80%029%0.294CS..EExtended strand (participates in β ladder)trans-125.6128.7176.4-55.2176.6000107.1L31 F33 L39 I41 W50 S63 Y65 V66L31-I61 HydrophobicContact CB-CG1 4.12Å; F33-I61 HydrophobicContact CE1-CD1 4.34Å; F33-I61 HydrophobicContact CE1-CG1 4.13Å; F33-I61 HydrophobicContact CE1-CG2 3.96Å; F33-I61 HydrophobicContact CZ-CG2 4.03Å; L39-I61 HydrophobicContact CB-CD1 4.46Å; L39-I61 HydrophobicContact CD1-CD1 4.5Å; L39-I61 HydrophobicContact CD2-CD1 4.36Å; I41-I61 HydrophobicContact CD1-CD1 3.73Å; W50-I61 PolarHBondContact N-O 3.22Å; W50-I61 PolarHBondContact O-N 3.46Å; I61-S63 PolarHBondContact O-N 3.45Å; I61-Y65 HydrophobicContact CG2-CD1 4.22Å; I61-V66 HydrophobicContact CG2-CG2 3.61Å
62P96.6Very high95.3Very high7 Ų752.7 Ų52.75%0.04529%0.293CS..EExtended strand (participates in β ladder)trans-60.8131178.3-17.628000111.3F23 N48 W49 N64 Y65 V66F23-P62 HydrophobicContact CD2-CG 4.44Å; F23-P62 HydrophobicContact CE1-CG 4.34Å; F23-P62 HydrophobicContact CE2-CG 3.51Å; F23-P62 HydrophobicContact CZ-CG 3.45Å; F23-P62 VanDerWaalsContact CZ-CG 3.45Å; N48-P62 WeakPolarHBondContact O-CA 3.03Å; W49-P62 HydrophobicContact CE3-CB 4.43Å; W49-P62 HydrophobicContact CE3-CG 4.19Å; W49-P62 HydrophobicContact CH2-CB 4.48Å; W49-P62 HydrophobicContact CH2-CG 3.81Å; W49-P62 HydrophobicContact CZ3-CB 4.12Å; W49-P62 HydrophobicContact CZ3-CG 3.47Å; W49-P62 VanDerWaalsContact CZ3-CG 3.47Å; P62-N64 VanDerWaalsContact C-N 3.26Å; P62-N64 WeakPolarHBondContact CB-OD1 3.26Å; P62-N64 PolarHBondContact O-N 2.84Å; P62-Y65 WeakPolarHBondContact O-CB 3.24Å; P62-Y65 PolarHBondContact O-N 3.03Å; P62-V66 PolarHBondContact O-N 2.79Å
63S95.6Very high95.2Very high16 Ų1653.7 Ų53.711%0.11230%0.298CS..Hα-helixtrans-62.5-35-18066.30000112.1S47 N48 W50 I61 V66 A67S47-S63 WeakPolarHBondContact O-CB 3.39Å; S47-S63 PolarHBondContact O-OG 3.09Å; N48-S63 WeakPolarHBondContact CA-OG 3.22Å; N48-S63 PolarHBondContact O-N 3.36Å; N48-S63 PolarHBondContact O-OG 3.19Å; W50-S63 VanDerWaalsContact CE2-CB 3.47Å; I61-S63 PolarHBondContact O-N 3.45Å; S63-V66 PolarHBondContact O-N 2.79Å; S63-A67 WeakPolarHBondContact O-CB 3.19Å; S63-A67 PolarHBondContact O-N 3.08Å
64N95.4Very high94.9Very high94 Ų9458 Ų5850%0.50332%0.32SS..Hα-helixtrans-65.7-38.617665.7-28.2000112.1P62 A67 E68P62-N64 VanDerWaalsContact C-N 3.26Å; P62-N64 WeakPolarHBondContact CB-OD1 3.26Å; P62-N64 PolarHBondContact O-N 2.84Å; N64-A67 PolarHBondContact O-N 3.02Å; N64-E68 WeakPolarHBondContact O-CB 3.44Å; N64-E68 PolarHBondContact O-N 3.47Å
65Y96.3Very high94.9Very high7 Ų759.3 Ų59.33%0.02733%0.328CS..Hα-helixtrans-58.3-50.4171.9173.3-83000110A19 F21 F23 F33 L39 I61 P62 A67 E68 Q69 A70A19-Y65 WeakPolarHBondContact CA-OH 3.28Å; A19-Y65 VanDerWaalsContact CB-OH 3.27Å; A19-Y65 WeakPolarHBondContact CB-OH 3.39Å; F21-Y65 PolarHBondContact O-OH 3.45Å; F23-Y65 HydrophobicContact CB-CD2 4.38Å; F23-Y65 HydrophobicContact CB-CE2 4.18Å; F23-Y65 HydrophobicContact CD2-CD2 4.12Å; F33-Y65 HydrophobicContact CE2-CD1 4.05Å; F33-Y65 AromaticContact CE2-CE1 3.37Å; F33-Y65 HydrophobicContact CE2-CE1 3.37Å; F33-Y65 AromaticContact CE2-CE2 3.94Å; F33-Y65 HydrophobicContact CE2-CE2 3.94Å; F33-Y65 AromaticContact CE2-CZ 3.33Å; F33-Y65 WeakPolarHBondContact CE2-OH 3.23Å; F33-Y65 AromaticContact CZ-CD1 3.74Å; F33-Y65 HydrophobicContact CZ-CD1 3.74Å; F33-Y65 AromaticContact CZ-CE1 3.55Å; F33-Y65 HydrophobicContact CZ-CE1 3.55Å; F33-Y65 HydrophobicContact CZ-CE2 4.33Å; F33-Y65 HydrophobicContact CZ-CG 4.3Å; F33-Y65 AromaticContact CZ-CZ 3.89Å; L39-Y65 HydrophobicContact CD1-CE1 4Å; I61-Y65 HydrophobicContact CG2-CD1 4.22Å; P62-Y65 WeakPolarHBondContact O-CB 3.24Å; P62-Y65 PolarHBondContact O-N 3.03Å; Y65-A67 VanDerWaalsContact C-N 3.25Å; Y65-A67 PolarHBondContact O-N 3.41Å; Y65-E68 PolarHBondContact O-N 3.2Å; Y65-Q69 HydrophobicContact CD2-CB 3.78Å; Y65-Q69 HydrophobicContact CD2-CG 4.39Å; Y65-Q69 HydrophobicContact CE1-CB 4.47Å; Y65-Q69 HydrophobicContact CE2-CB 3.58Å; Y65-Q69 HydrophobicContact CE2-CG 4.46Å; Y65-Q69 HydrophobicContact CG-CB 4.3Å; Y65-Q69 CarbonylContact O-C 3.55Å; Y65-Q69 WeakPolarHBondContact O-CA 3.45Å; Y65-Q69 WeakPolarHBondContact O-CB 3.47Å; Y65-Q69 PolarHBondContact O-N 3.25Å; Y65-Q69 PolarHBondContact OH-O 3.45Å; Y65-A70 HydrophobicContact CE1-CB 4.21Å; Y65-A70 PolarHBondContact O-N 3.03Å
66V94.8Very high95Very high3 Ų354 Ų542%0.01831%0.308CS..Hα-helixtrans-63.6-33.7-178.5-174.90000111.8F17 I41 W50 I61 P62 S63 A70F17-V66 HydrophobicContact CD1-CG1 3.68Å; F17-V66 HydrophobicContact CD2-CG1 3.9Å; F17-V66 HydrophobicContact CE1-CG1 3.64Å; F17-V66 HydrophobicContact CE2-CG1 3.85Å; F17-V66 HydrophobicContact CG-CG1 3.82Å; F17-V66 HydrophobicContact CZ-CG1 3.73Å; I41-V66 HydrophobicContact CD1-CG2 4.26Å; W50-V66 HydrophobicContact CE3-CB 3.95Å; W50-V66 HydrophobicContact CE3-CG1 4.05Å; W50-V66 HydrophobicContact CE3-CG2 4.02Å; W50-V66 HydrophobicContact CZ3-CB 3.74Å; W50-V66 HydrophobicContact CZ3-CG1 3.61Å; W50-V66 HydrophobicContact CZ3-CG2 4.33Å; I61-V66 HydrophobicContact CG2-CG2 3.61Å; P62-V66 PolarHBondContact O-N 2.79Å; S63-V66 PolarHBondContact O-N 2.79Å; V66-A70 HydrophobicContact CG1-CB 4.26Å; V66-A70 WeakPolarHBondContact O-CB 3.39Å
67A93.3Very high95.3Very high66 Ų6650.7 Ų50.755%0.54527%0.274SS..Hα-helixtrans-73.3-35.7179.900000113.9S63 N64 Y65S63-A67 WeakPolarHBondContact O-CB 3.19Å; S63-A67 PolarHBondContact O-N 3.08Å; N64-A67 PolarHBondContact O-N 3.02Å; Y65-A67 VanDerWaalsContact C-N 3.25Å; Y65-A67 PolarHBondContact O-N 3.41Å
68E94.3Very high95.4Very high148 Ų14844.9 Ų44.969%0.69225%0.253SS*.Hα-helixtrans-106.8-27.7-170.3-64.2179.4-174.600113.5N64 Y65N64-E68 WeakPolarHBondContact O-CB 3.44Å; N64-E68 PolarHBondContact O-N 3.47Å; Y65-E68 PolarHBondContact O-N 3.2Å
69Q94.6Very high95.4Very high71 Ų7144.1 Ų44.133%0.33224%0.243SC..Hα-helixtrans-12811.9-166.3-61.3-177.110.700113.1L20 F21 Y65L20-Q69 VanDerWaalsContact CB-O 3.24Å; L20-Q69 WeakPolarHBondContact CB-O 3.29Å; L20-Q69 PolarHBondContact N-O 2.86Å; F21-Q69 HydrophobicContact CD2-CB 4.02Å; F21-Q69 HydrophobicContact CD2-CG 4.08Å; Y65-Q69 HydrophobicContact CD2-CB 3.78Å; Y65-Q69 HydrophobicContact CD2-CG 4.39Å; Y65-Q69 HydrophobicContact CE1-CB 4.47Å; Y65-Q69 HydrophobicContact CE2-CB 3.58Å; Y65-Q69 HydrophobicContact CE2-CG 4.46Å; Y65-Q69 HydrophobicContact CG-CB 4.3Å; Y65-Q69 CarbonylContact O-C 3.55Å; Y65-Q69 WeakPolarHBondContact O-CA 3.45Å; Y65-Q69 WeakPolarHBondContact O-CB 3.47Å; Y65-Q69 PolarHBondContact O-N 3.25Å; Y65-Q69 PolarHBondContact OH-O 3.45Å
70A95.4Very high95.5Very high15 Ų1543.5 Ų43.512%0.12424%0.237CC..EExtended strand (participates in β ladder)trans-128.8147.1172.900000111.9F17 R18 Y65 V66F17-A70 HydrophobicContact CB-CB 4Å; F17-A70 HydrophobicContact CD1-CB 4.22Å; F17-A70 HydrophobicContact CG-CB 4.45Å; R18-A70 CarbonylContact O-C 3.57Å; R18-A70 VanDerWaalsContact O-CA 3.25Å; R18-A70 WeakPolarHBondContact O-CA 3.28Å; Y65-A70 HydrophobicContact CE1-CB 4.21Å; Y65-A70 PolarHBondContact O-N 3.03Å; V66-A70 HydrophobicContact CG1-CB 4.26Å; V66-A70 WeakPolarHBondContact O-CB 3.39Å
71E96.4Very high95.6Very high114 Ų11440.6 Ų40.653%0.53322%0.221SC..EExtended strand (participates in β ladder)trans-98.5123.8174.6-177.5179.4-15600110.2F17 R18 L20 I73F17-E71 CarbonylContact C-O 3.44Å; F17-E71 WeakPolarHBondContact CA-O 3.27Å; R18-E71 HydrophobicContact CB-CB 4.45Å; R18-E71 PolarHBondContact N-O 2.95Å; R18-E71 PolarHBondContact O-N 3.34Å; L20-E71 HydrophobicContact CD2-CB 4.13Å; L20-E71 HydrophobicContact CG-CB 4.48Å; E71-I73 PolarHBondContact O-N 3.39Å
72S94.7Very high95.6Very high63 Ų6346.1 Ų46.144%0.44125%0.245SC..EExtended strand (participates in β ladder)trans-66.7129.3174.6-177.70000110.9D74S72-D74 PolarHBondContact OG-OD1 3.27Å
73I94.6Very high95.6Very high22 Ų2255 Ų5511%0.11328%0.278CS..EExtended strand (participates in β ladder)trans-102.9106170.4-53.8176.7000107.4V16 R18 I38 E71 N75 P76 W88V16-I73 HydrophobicContact CB-CB 4.47Å; V16-I73 HydrophobicContact CG1-CB 4.4Å; V16-I73 HydrophobicContact CG1-CD1 4.29Å; V16-I73 PolarHBondContact O-N 3.41Å; R18-I73 HydrophobicContact CB-CD1 4.2Å; I38-I73 HydrophobicContact CD1-CD1 3.92Å; E71-I73 PolarHBondContact O-N 3.39Å; I73-N75 PolarHBondContact O-N 3.12Å; I73-P76 HydrophobicContact CG2-CB 3.81Å; I73-P76 HydrophobicContact CG2-CG 4.48Å; I73-P76 WeakPolarHBondContact O-CD 3.48Å; I73-W88 HydrophobicContact CD1-CH2 4.4Å; I73-W88 HydrophobicContact CD1-CZ2 3.98Å; I73-W88 HydrophobicContact CG2-CH2 4.32Å; I73-W88 HydrophobicContact CG2-CZ2 4.4Å
74D91.3Very high95.7Very high108 Ų10855.2 Ų55.258%0.57828%0.283SS*.SBendtrans-68.6-35.6-174-70.2-17.9000113S72S72-D74 PolarHBondContact OG-OD1 3.27Å
75N94.9Very high95.8Very high30 Ų3053.9 Ų53.916%0.1628%0.276CS..  trans-132.640-166-62.6-64.8000114.1I73 M77 H78 E79 D103I73-N75 PolarHBondContact O-N 3.12Å; N75-M77 PolarHBondContact O-N 3.43Å; N75-H78 HydrophobicContact CB-CB 4Å; N75-H78 WeakPolarHBondContact CB-ND1 3.46Å; N75-H78 WeakPolarHBondContact O-CA 3.48Å; N75-H78 VanDerWaalsContact O-CB 3.22Å; N75-H78 WeakPolarHBondContact O-CB 3.38Å; N75-H78 PolarHBondContact O-N 2.95Å; N75-H78 PolarHBondContact O-ND1 3.31Å; N75-E79 WeakPolarHBondContact CA-OE2 3.24Å; N75-E79 PolarHBondContact O-N 3.38Å; N75-D103 WeakPolarHBondContact OD1-CA 3.39Å
76P96.2Very high95.8Very high7 Ų754.6 Ų54.65%0.04528%0.28CS..Hα-helixtrans-51.4-38.5-162.525.2-38.2000114.1V16 I73 H78 E79 A80 W88 V97V16-P76 HydrophobicContact CB-CB 4.24Å; V16-P76 HydrophobicContact CB-CG 3.83Å; V16-P76 HydrophobicContact CG1-CB 4.1Å; V16-P76 HydrophobicContact CG1-CG 4.23Å; V16-P76 HydrophobicContact CG2-CB 4.38Å; V16-P76 HydrophobicContact CG2-CG 3.66Å; I73-P76 HydrophobicContact CG2-CB 3.81Å; I73-P76 HydrophobicContact CG2-CG 4.48Å; I73-P76 WeakPolarHBondContact O-CD 3.48Å; P76-H78 VanDerWaalsContact C-N 3.33Å; P76-H78 PolarHBondContact O-N 3.01Å; P76-E79 WeakPolarHBondContact CA-OE2 3.4Å; P76-E79 PolarHBondContact O-N 3.49Å; P76-A80 WeakPolarHBondContact O-CB 3.32Å; P76-A80 PolarHBondContact O-N 3.08Å; P76-W88 HydrophobicContact CB-CH2 4.25Å; P76-W88 HydrophobicContact CB-CZ2 3.71Å; P76-V97 HydrophobicContact CG-CG1 4.01Å
77M96.1Very high95.9Very high3 Ų358.6 Ų58.62%0.01531%0.308CS..Hα-helixtrans-65-34.9177.3-159.6-177.3-75.100113N75 A81 L89 C92 L93 V97 I99 A109 L125N75-M77 PolarHBondContact O-N 3.43Å; M77-A81 VanDerWaalsContact O-CB 3.23Å; M77-A81 WeakPolarHBondContact O-CB 3.3Å; M77-A81 PolarHBondContact O-N 3.36Å; M77-L89 HydrophobicContact CG-CD1 3.43Å; M77-L89 VanDerWaalsContact CG-CD1 3.43Å; M77-L89 HydrophobicContact SD-CD1 4.46Å; M77-C92 HydrophobicContact CE-CB 4.34Å; M77-L93 HydrophobicContact CE-CD2 3.8Å; M77-L93 HydrophobicContact CE-CG 4.37Å; M77-V97 HydrophobicContact CB-CG1 4.42Å; M77-V97 HydrophobicContact CE-CB 4.14Å; M77-V97 HydrophobicContact CE-CG1 4.16Å; M77-V97 WeakPolarHBondContact CE-O 3.4Å; M77-I99 HydrophobicContact CE-CB 4.24Å; M77-I99 HydrophobicContact CE-CG1 4.46Å; M77-I99 HydrophobicContact SD-CB 4.2Å; M77-I99 HydrophobicContact SD-CG1 3.93Å; M77-A109 HydrophobicContact CB-CB 4.05Å; M77-A109 HydrophobicContact CG-CB 3.57Å; M77-A109 HydrophobicContact SD-CB 3.84Å; M77-L125 HydrophobicContact SD-CD2 4Å
78H97.4Very high96Very high10 Ų1056.7 Ų56.75%0.04629%0.286CS..Hα-helixtrans-69.2-45.1174.6-53.475.1000110.8N75 P76 A80 A81 K82 G101 D103 N107 T108 A109 W112N75-H78 HydrophobicContact CB-CB 4Å; N75-H78 WeakPolarHBondContact CB-ND1 3.46Å; N75-H78 WeakPolarHBondContact O-CA 3.48Å; N75-H78 VanDerWaalsContact O-CB 3.22Å; N75-H78 WeakPolarHBondContact O-CB 3.38Å; N75-H78 PolarHBondContact O-N 2.95Å; N75-H78 PolarHBondContact O-ND1 3.31Å; P76-H78 VanDerWaalsContact C-N 3.33Å; P76-H78 PolarHBondContact O-N 3.01Å; H78-A80 VanDerWaalsContact C-N 3.34Å; H78-A81 PolarHBondContact O-N 2.92Å; H78-K82 WeakPolarHBondContact O-CB 3.41Å; H78-K82 PolarHBondContact O-N 3.11Å; H78-G101 PolarHBondContact CE1-O 3.26Å; H78-G101 VanDerWaalsContact CE1-O 3.27Å; H78-G101 PolarHBondContact NE2-O 2.98Å; H78-D103 PolarHBondContact NE2-N 3.38Å; H78-N107 PolarHBondContact CD2-O 3.41Å; H78-N107 VanDerWaalsContact CD2-O 3.27Å; H78-N107 PolarHBondContact NE2-O 2.86Å; H78-T108 VanDerWaalsContact CD2-C 3.42Å; H78-A109 PolarHBondContact CD2-N 3.47Å; H78-W112 AromaticContact CD2-CD1 3.71Å
79E96.4Very high96.2Very high68 Ų6849.6 Ų49.632%0.31825%0.253SS..Hα-helixtrans-63.3-41.4176-77.181.3-144.700111.8N75 P76 R83 W88N75-E79 WeakPolarHBondContact CA-OE2 3.24Å; N75-E79 PolarHBondContact O-N 3.38Å; P76-E79 WeakPolarHBondContact CA-OE2 3.4Å; P76-E79 PolarHBondContact O-N 3.49Å; E79-R83 WeakPolarHBondContact O-CB 3.43Å; E79-R83 VanDerWaalsContact O-CG 3.31Å; E79-R83 WeakPolarHBondContact O-CG 3.49Å; E79-R83 PolarHBondContact O-N 2.98Å; E79-W88 HydrophobicContact CB-CH2 3.94Å; E79-W88 HydrophobicContact CB-CZ3 3.66Å
80A97.6Very high96.3Very high0 Ų052.3 Ų52.30%026%0.26CS..Hα-helixtrans-61-50.9174.800000111.2P76 H78 R83 G84 N85 W88 L89P76-A80 WeakPolarHBondContact O-CB 3.32Å; P76-A80 PolarHBondContact O-N 3.08Å; H78-A80 VanDerWaalsContact C-N 3.34Å; A80-R83 PolarHBondContact O-N 3.27Å; A80-G84 PolarHBondContact O-N 2.95Å; A80-G84 VanDerWaalsContact O-N 3.11Å; A80-N85 PolarHBondContact O-N 3.01Å; A80-W88 HydrophobicContact CB-CB 4.29Å; A80-W88 HydrophobicContact CB-CD2 4.06Å; A80-W88 HydrophobicContact CB-CE3 3.71Å; A80-W88 HydrophobicContact CB-CG 4.34Å; A80-W88 HydrophobicContact CB-CZ3 4.39Å; A80-L89 HydrophobicContact CB-CB 4.06Å; A80-L89 HydrophobicContact CB-CD1 4.16Å
81A98.1Very high96.3Very high0 Ų054.2 Ų54.20%027%0.267CS..Hα-helixtrans-63.4-44.1-179.800000112.5M77 H78 R83 G84 A109 W112 H118 V121M77-A81 VanDerWaalsContact O-CB 3.23Å; M77-A81 WeakPolarHBondContact O-CB 3.3Å; M77-A81 PolarHBondContact O-N 3.36Å; H78-A81 PolarHBondContact O-N 2.92Å; A81-R83 PolarHBondContact O-N 3.47Å; A81-G84 PolarHBondContact O-N 3.47Å; A81-G84 VanDerWaalsContact O-N 3.16Å; A81-A109 HydrophobicContact CB-CB 4.09Å; A81-A109 VanDerWaalsContact CB-O 3.25Å; A81-A109 WeakPolarHBondContact CB-O 3.33Å; A81-W112 HydrophobicContact CB-CB 4.32Å; A81-H118 PolarHBondContact O-CD2 3.06Å; A81-V121 HydrophobicContact CB-CG1 3.73Å
82K97Very high96.3Very high116 Ų11648.8 Ų48.850%0.50424%0.241SC..Hα-helixtrans-60.2-34.9179.1-175.7175.2-179175.30112.6H78 W112 H118H78-K82 WeakPolarHBondContact O-CB 3.41Å; H78-K82 PolarHBondContact O-N 3.11Å; K82-W112 HydrophobicContact CB-CB 4.04Å; K82-W112 HydrophobicContact CB-CD2 4.37Å; K82-W112 HydrophobicContact CB-CE3 4.4Å; K82-W112 HydrophobicContact CB-CG 4.26Å; K82-W112 HydrophobicContact CD-CD2 4.17Å; K82-W112 HydrophobicContact CD-CE3 3.88Å; K82-W112 HydrophobicContact CD-CZ3 4.11Å; K82-W112 HydrophobicContact CG-CD2 4.35Å; K82-W112 HydrophobicContact CG-CE3 3.95Å; K82-H118 PolarHBondContact O-NE2 2.85Å
83R96.9Very high96.3Very high193 Ų19347.1 Ų47.173%0.72823%0.227SC*.Hα-helixtrans-89.9-6.4-179.3-67.1175.8179.9-85.42.9113.7E79 A80 A81 N85E79-R83 WeakPolarHBondContact O-CB 3.43Å; E79-R83 VanDerWaalsContact O-CG 3.31Å; E79-R83 WeakPolarHBondContact O-CG 3.49Å; E79-R83 PolarHBondContact O-N 2.98Å; A80-R83 PolarHBondContact O-N 3.27Å; A81-R83 PolarHBondContact O-N 3.47Å; R83-N85 PolarHBondContact O-N 3.49Å
84G97.4Very high96.3Very high21 Ų2152.2 Ų52.222%0.21626%0.255CS..THydrogen-bonded Turntrans69.122.4-171.700000113.2A80 A81 M86 H118A80-G84 PolarHBondContact O-N 2.95Å; A80-G84 VanDerWaalsContact O-N 3.11Å; A81-G84 PolarHBondContact O-N 3.47Å; A81-G84 VanDerWaalsContact O-N 3.16Å; G84-M86 PolarHBondContact O-N 3.15Å; G84-H118 PolarHBondContact N-NE2 3.22Å
85N97.8Very high96.5Very high67 Ų6748.3 Ų48.336%0.35823%0.234SC..  trans-81.986.2-177.2-172.5-18.1000110.8A80 R83 S87 W88 L89A80-N85 PolarHBondContact O-N 3.01Å; R83-N85 PolarHBondContact O-N 3.49Å; N85-S87 VanDerWaalsContact C-N 3.33Å; N85-S87 PolarHBondContact O-N 2.95Å; N85-S87 PolarHBondContact OD1-N 3.42Å; N85-W88 HydrophobicContact CB-CB 4.36Å; N85-W88 PolarHBondContact O-N 3.35Å; N85-W88 PolarHBondContact OD1-N 3.47Å; N85-L89 VanDerWaalsContact O-CB 3.32Å; N85-L89 WeakPolarHBondContact O-CB 3.49Å; N85-L89 PolarHBondContact O-N 3.3Å
86M97.3Very high96.4Very high21 Ų2155 Ų5510%0.10326%0.262CS..Hα-helixtrans-61.8-35-179.8-77.5-59.7-7100114.5G84 L89 R90 D120 V121 L124G84-M86 PolarHBondContact O-N 3.15Å; M86-L89 HydrophobicContact SD-CD2 4.2Å; M86-R90 WeakPolarHBondContact O-CG 3.42Å; M86-R90 PolarHBondContact O-N 3.22Å; M86-D120 HydrophobicContact CE-CB 4.25Å; M86-D120 HydrophobicContact CG-CB 4.24Å; M86-D120 WeakPolarHBondContact CG-OD2 3.18Å; M86-D120 VanDerWaalsContact SD-C 3.59Å; M86-D120 HydrophobicContact SD-CB 4.06Å; M86-V121 HydrophobicContact CG-CG2 4.24Å; M86-V121 VanDerWaalsContact SD-CA 3.53Å; M86-V121 HydrophobicContact SD-CB 4.13Å; M86-V121 HydrophobicContact SD-CG2 3.48Å; M86-V121 WeakPolarHBondContact SD-CG2 3.35Å; M86-V121 PolarHBondContact SD-N 3.28Å; M86-V121 VanDerWaalsContact SD-N 3.41Å; M86-L124 HydrophobicContact CE-CB 3.97Å; M86-L124 HydrophobicContact CE-CD2 3.65Å; M86-L124 HydrophobicContact CE-CG 4.42Å; M86-L124 HydrophobicContact SD-CD2 4.43Å
87S96.4Very high96.3Very high87 Ų8755.4 Ų55.461%0.60826%0.264SS*.Hα-helixtrans-64.4-51.1179.9-169.70000110.3N85 L89 R90 E91N85-S87 VanDerWaalsContact C-N 3.33Å; N85-S87 PolarHBondContact O-N 2.95Å; N85-S87 PolarHBondContact OD1-N 3.42Å; S87-L89 VanDerWaalsContact C-N 3.31Å; S87-L89 PolarHBondContact O-N 3.42Å; S87-R90 PolarHBondContact O-N 2.9Å; S87-E91 PolarHBondContact O-N 3.48Å
88W96.3Very high96.2Very high26 Ų2657.4 Ų57.410%0.09829%0.285CS..Hα-helixtrans-69.8-31.7-179.3-170.831.9000112.4Y40 I73 P76 E79 A80 N85 E91 C92Y40-W88 PolarHBondContact OH-NE1 3.32Å; I73-W88 HydrophobicContact CD1-CH2 4.4Å; I73-W88 HydrophobicContact CD1-CZ2 3.98Å; I73-W88 HydrophobicContact CG2-CH2 4.32Å; I73-W88 HydrophobicContact CG2-CZ2 4.4Å; P76-W88 HydrophobicContact CB-CH2 4.25Å; P76-W88 HydrophobicContact CB-CZ2 3.71Å; E79-W88 HydrophobicContact CB-CH2 3.94Å; E79-W88 HydrophobicContact CB-CZ3 3.66Å; A80-W88 HydrophobicContact CB-CB 4.29Å; A80-W88 HydrophobicContact CB-CD2 4.06Å; A80-W88 HydrophobicContact CB-CE3 3.71Å; A80-W88 HydrophobicContact CB-CG 4.34Å; A80-W88 HydrophobicContact CB-CZ3 4.39Å; N85-W88 HydrophobicContact CB-CB 4.36Å; N85-W88 PolarHBondContact O-N 3.35Å; N85-W88 PolarHBondContact OD1-N 3.47Å; W88-E91 PolarHBondContact O-N 2.6Å; W88-C92 PolarHBondContact O-N 3.4Å; W88-C92 PolarHBondContact O-SG 3.48Å
89L97.5Very high96Very high0 Ų058.3 Ų58.30%029%0.29CS..Hα-helixtrans-63.2-45.3174.6-17267000112M77 A80 N85 M86 S87 C92 L93 V121 L124 L125M77-L89 HydrophobicContact CG-CD1 3.43Å; M77-L89 VanDerWaalsContact CG-CD1 3.43Å; M77-L89 HydrophobicContact SD-CD1 4.46Å; A80-L89 HydrophobicContact CB-CB 4.06Å; A80-L89 HydrophobicContact CB-CD1 4.16Å; N85-L89 VanDerWaalsContact O-CB 3.32Å; N85-L89 WeakPolarHBondContact O-CB 3.49Å; N85-L89 PolarHBondContact O-N 3.3Å; M86-L89 HydrophobicContact SD-CD2 4.2Å; S87-L89 VanDerWaalsContact C-N 3.31Å; S87-L89 PolarHBondContact O-N 3.42Å; L89-C92 WeakPolarHBondContact O-CB 3.44Å; L89-C92 PolarHBondContact O-N 2.97Å; L89-L93 WeakPolarHBondContact O-CG 3.23Å; L89-L93 PolarHBondContact O-N 3.39Å; L89-L93 VanDerWaalsContact O-N 3.15Å; L89-V121 HydrophobicContact CD2-CB 4.04Å; L89-V121 HydrophobicContact CD2-CG1 3.68Å; L89-V121 HydrophobicContact CD2-CG2 3.89Å; L89-L124 HydrophobicContact CD2-CD2 4.02Å; L89-L124 HydrophobicContact CG-CD2 4.26Å; L89-L125 HydrophobicContact CD1-CD2 4.29Å; L89-L125 HydrophobicContact CD2-CG 4.32Å
90R96.8Very high96Very high127 Ų12758.1 Ų58.148%0.47929%0.291SS..Hα-helixtrans-61.8-45.3174-73.3-174.9-172.8103.5-1111.3M86 S87 C92 L93 D94 L124M86-R90 WeakPolarHBondContact O-CG 3.42Å; M86-R90 PolarHBondContact O-N 3.22Å; S87-R90 PolarHBondContact O-N 2.9Å; R90-C92 VanDerWaalsContact C-N 3.26Å; R90-C92 PolarHBondContact O-N 3.27Å; R90-L93 WeakPolarHBondContact O-CA 3.45Å; R90-L93 WeakPolarHBondContact O-CB 3.39Å; R90-L93 PolarHBondContact O-N 2.88Å; R90-D94 PolarHBondContact O-N 3.19Å; R90-L124 HydrophobicContact CG-CD2 3.66Å
91E96Very high95.8Very high55 Ų5559.4 Ų59.426%0.25731%0.305SS..Hα-helixtrans-59-38177.6-164.5-178.517900112.2Y40 S87 W88 N95Y40-E91 HydrophobicContact CE2-CG 3.79Å; Y40-E91 WeakPolarHBondContact CE2-OE1 3.47Å; Y40-E91 VanDerWaalsContact OH-CD 3.31Å; Y40-E91 VanDerWaalsContact OH-CG 3.29Å; Y40-E91 WeakPolarHBondContact OH-CG 3.39Å; S87-E91 PolarHBondContact O-N 3.48Å; W88-E91 PolarHBondContact O-N 2.6Å; E91-N95 WeakPolarHBondContact O-CB 3.25Å; E91-N95 PolarHBondContact O-N 3.45Å; E91-N95 PolarHBondContact O-ND2 2.88Å
92C96.3Very high95.7Very high0 Ų063.4 Ų63.40%033%0.326CS..Hα-helixtrans-63.3-41.4172.9-69.60000112.5M77 W88 L89 R90 N95 K96 V97M77-C92 HydrophobicContact CE-CB 4.34Å; W88-C92 PolarHBondContact O-N 3.4Å; W88-C92 PolarHBondContact O-SG 3.48Å; L89-C92 WeakPolarHBondContact O-CB 3.44Å; L89-C92 PolarHBondContact O-N 2.97Å; R90-C92 VanDerWaalsContact C-N 3.26Å; R90-C92 PolarHBondContact O-N 3.27Å; C92-N95 CarbonylContact O-C 3.56Å; C92-N95 PolarHBondContact O-N 3.13Å; C92-K96 PolarHBondContact O-N 3.19Å; C92-V97 HydrophobicContact CB-CB 3.99Å; C92-V97 HydrophobicContact CB-CG2 3.95Å; C92-V97 VanDerWaalsContact O-CB 3.25Å; C92-V97 WeakPolarHBondContact O-CB 3.32Å; C92-V97 VanDerWaalsContact O-CG2 3.3Å; C92-V97 WeakPolarHBondContact O-CG2 3.49Å; C92-V97 PolarHBondContact O-N 3.41Å
93L94.8Very high95.7Very high28 Ų2859.1 Ų59.115%0.14731%0.308CS..Hα-helixtrans-66.7-45.6177.9-69168.2000111.5M77 L89 R90 N95 K96 I99 L124 Q128M77-L93 HydrophobicContact CE-CD2 3.8Å; M77-L93 HydrophobicContact CE-CG 4.37Å; L89-L93 WeakPolarHBondContact O-CG 3.23Å; L89-L93 PolarHBondContact O-N 3.39Å; L89-L93 VanDerWaalsContact O-N 3.15Å; R90-L93 WeakPolarHBondContact O-CA 3.45Å; R90-L93 WeakPolarHBondContact O-CB 3.39Å; R90-L93 PolarHBondContact O-N 2.88Å; L93-N95 PolarHBondContact O-N 3.33Å; L93-K96 PolarHBondContact O-N 3.33Å; L93-I99 HydrophobicContact CD2-CD1 4.3Å; L93-L124 HydrophobicContact CD1-CD1 4.26Å; L93-L124 HydrophobicContact CD1-CD2 3.88Å; L93-L124 HydrophobicContact CD1-CG 3.92Å; L93-Q128 HydrophobicContact CD1-CG 4.14Å; L93-Q128 HydrophobicContact CD2-CG 3.97Å
94D94.6Very high95.6Very high129 Ų12957.7 Ų57.769%0.6931%0.308SS*.Hα-helixtrans-60.5-35.9178.3-66.1-22.2000111.3R90 K96R90-D94 PolarHBondContact O-N 3.19Å; D94-K96 VanDerWaalsContact C-N 3.27Å; D94-K96 PolarHBondContact O-N 2.79Å
95N95.3Very high95.6Very high26 Ų2658.7 Ų58.714%0.13931%0.313CS..THydrogen-bonded Turntrans-87.517.2174.6-71.5-77.7000113.9V14 Y40 T53 E91 C92 L93 V97V14-N95 VanDerWaalsContact CG2-O 3.32Å; V14-N95 WeakPolarHBondContact CG2-O 3.36Å; Y40-N95 HydrophobicContact CD1-CB 3.35Å; Y40-N95 HydrophobicContact CD2-CB 4.2Å; Y40-N95 HydrophobicContact CE1-CB 3.88Å; Y40-N95 HydrophobicContact CG-CB 3.54Å; Y40-N95 VanDerWaalsContact CG-CG 3.44Å; T53-N95 VanDerWaalsContact CB-OD1 3.24Å; T53-N95 WeakPolarHBondContact CB-OD1 3.43Å; T53-N95 VanDerWaalsContact CG2-OD1 3.24Å; T53-N95 WeakPolarHBondContact CG2-OD1 3.49Å; E91-N95 WeakPolarHBondContact O-CB 3.25Å; E91-N95 PolarHBondContact O-N 3.45Å; E91-N95 PolarHBondContact O-ND2 2.88Å; C92-N95 CarbonylContact O-C 3.56Å; C92-N95 PolarHBondContact O-N 3.13Å; L93-N95 PolarHBondContact O-N 3.33Å; N95-V97 PolarHBondContact O-N 2.93Å; N95-V97 VanDerWaalsContact O-N 3.14Å
96K93.1Very high95.6Very high170 Ų17056 Ų5674%0.73930%0.302SS*.THydrogen-bonded Turntrans56.431.4172.5-53.9178.8-179.4177.80114.3V14 C92 L93 D94 G98V14-K96 HydrophobicContact CG2-CB 4.46Å; C92-K96 PolarHBondContact O-N 3.19Å; L93-K96 PolarHBondContact O-N 3.33Å; D94-K96 VanDerWaalsContact C-N 3.27Å; D94-K96 PolarHBondContact O-N 2.79Å; K96-G98 PolarHBondContact O-N 2.75Å
97V94.1Very high95.7Very high17 Ų1755.3 Ų55.310%0.10330%0.299CS..  trans-63135.2169.7177.60000108.6V14 V16 Y40 P76 M77 C92 N95 I99V14-V97 HydrophobicContact CG1-CG2 4.43Å; V16-V97 HydrophobicContact CG2-CG2 3.81Å; Y40-V97 HydrophobicContact CD1-CG2 4.04Å; Y40-V97 HydrophobicContact CE1-CG2 4.06Å; P76-V97 HydrophobicContact CG-CG1 4.01Å; M77-V97 HydrophobicContact CB-CG1 4.42Å; M77-V97 HydrophobicContact CE-CB 4.14Å; M77-V97 HydrophobicContact CE-CG1 4.16Å; M77-V97 WeakPolarHBondContact CE-O 3.4Å; C92-V97 HydrophobicContact CB-CB 3.99Å; C92-V97 HydrophobicContact CB-CG2 3.95Å; C92-V97 VanDerWaalsContact O-CB 3.25Å; C92-V97 WeakPolarHBondContact O-CB 3.32Å; C92-V97 VanDerWaalsContact O-CG2 3.3Å; C92-V97 WeakPolarHBondContact O-CG2 3.49Å; C92-V97 PolarHBondContact O-N 3.41Å; N95-V97 PolarHBondContact O-N 2.93Å; N95-V97 VanDerWaalsContact O-N 3.14Å; V97-I99 PolarHBondContact O-N 3.06Å; V97-I99 VanDerWaalsContact O-N 3.14Å
98G92.6Very high95.7Very high44 Ų4451.3 Ų51.345%0.45427%0.27SS..  trans-61.1115.4-175.300000113K96 N100 G101K96-G98 PolarHBondContact O-N 2.75Å; G98-N100 PolarHBondContact O-N 3.46Å; G98-G101 PolarHBondContact O-N 3.4Å
99I94.2Very high95.8Very high30 Ų3050.1 Ų50.115%0.15427%0.266CS..THydrogen-bonded Turntrans-65.9-36-175.2-168.6172.9000114.4M77 L93 V97 G101 L125 Q128 V131M77-I99 HydrophobicContact CE-CB 4.24Å; M77-I99 HydrophobicContact CE-CG1 4.46Å; M77-I99 HydrophobicContact SD-CB 4.2Å; M77-I99 HydrophobicContact SD-CG1 3.93Å; L93-I99 HydrophobicContact CD2-CD1 4.3Å; V97-I99 PolarHBondContact O-N 3.06Å; V97-I99 VanDerWaalsContact O-N 3.14Å; I99-G101 VanDerWaalsContact C-N 3.3Å; I99-L125 HydrophobicContact CD1-CD2 4.04Å; I99-L125 HydrophobicContact CG1-CD2 4.01Å; I99-Q128 HydrophobicContact CD1-CB 3.29Å; I99-Q128 HydrophobicContact CD1-CG 3.57Å; I99-V131 HydrophobicContact CD1-CB 4.15Å; I99-V131 HydrophobicContact CD1-CG2 4.09Å
100N95.7Very high95.9Very high63 Ų6350.3 Ų50.334%0.33727%0.267SS..THydrogen-bonded Turntrans-96.320.9178.8-58.6-32000112G98 N130 E132G98-N100 PolarHBondContact O-N 3.46Å; N100-N130 PolarHBondContact ND2-O 3.28Å; N100-E132 HydrophobicContact CB-CB 4.46Å; N100-E132 PolarHBondContact OD1-N 3.15Å
101G94Very high96Very high28 Ų2845.3 Ų45.329%0.28925%0.248SC..  trans-55.2147.1170.400000110.2H78 G98 I99H78-G101 PolarHBondContact CE1-O 3.26Å; H78-G101 VanDerWaalsContact CE1-O 3.27Å; H78-G101 PolarHBondContact NE2-O 2.98Å; G98-G101 PolarHBondContact O-N 3.4Å; I99-G101 VanDerWaalsContact C-N 3.3Å
102L96.3Very high96.1Very high84 Ų8444.7 Ų44.744%0.4424%0.244SC..  trans-113.9130.5179.4-56.6-178.8000109.5N107 T108 Q135L102-N107 WeakPolarHBondContact CA-O 3.15Å; L102-T108 HydrophobicContact CD2-CG2 3.67Å; L102-Q135 HydrophobicContact CD2-CG 3.72Å
103D96.1Very high96.2Very high25 Ų2544.7 Ų44.713%0.13424%0.244CC..  trans-72.4-179.6170.77512000112.1N75 H78 A105 G106 N107 W112N75-D103 WeakPolarHBondContact OD1-CA 3.39Å; H78-D103 PolarHBondContact NE2-N 3.38Å; D103-A105 PolarHBondContact O-N 3.32Å; D103-A105 VanDerWaalsContact O-N 3.1Å; D103-A105 VanDerWaalsContact OD1-C 3.31Å; D103-A105 VanDerWaalsContact OD1-CA 3.27Å; D103-A105 WeakPolarHBondContact OD1-CA 3.36Å; D103-A105 WeakPolarHBondContact OD1-CB 3.33Å; D103-A105 PolarHBondContact OD1-N 3.31Å; D103-G106 PolarHBondContact O-N 3.4Å; D103-G106 PolarHBondContact OD1-N 2.96Å; D103-N107 PolarHBondContact N-O 3.05Å; D103-N107 PolarHBondContact OD1-N 3.02Å; D103-N107 PolarHBondContact OD1-ND2 2.99Å; D103-N107 PolarHBondContact OD2-ND2 3.46Å; D103-W112 PolarHBondContact OD2-NE1 2.81Å
104K96Very high96.4Very high164 Ų16443.4 Ų43.471%0.71324%0.237SC*.THydrogen-bonded Turntrans-61.6-20179.3-66.7-178.4-176.8171.10113.7K138K104-K138 WeakPolarHBondContact O-CE 3.5Å; K104-K138 PolarHBondContact O-NZ 3Å
105A97Very high96.6Very high41 Ų4139.6 Ų39.634%0.33922%0.215SC..THydrogen-bonded Turntrans-95.3-0.4176.200000112.7D103 N107 K138D103-A105 PolarHBondContact O-N 3.32Å; D103-A105 VanDerWaalsContact O-N 3.1Å; D103-A105 VanDerWaalsContact OD1-C 3.31Å; D103-A105 VanDerWaalsContact OD1-CA 3.27Å; D103-A105 WeakPolarHBondContact OD1-CA 3.36Å; D103-A105 WeakPolarHBondContact OD1-CB 3.33Å; D103-A105 PolarHBondContact OD1-N 3.31Å; A105-N107 VanDerWaalsContact C-N 3.33Å; A105-N107 WeakPolarHBondContact CB-ND2 3.46Å; A105-K138 WeakPolarHBondContact O-CB 3.38Å; A105-K138 WeakPolarHBondContact O-CG 3.31Å; A105-K138 PolarHBondContact O-N 3.49Å
106G97.4Very high96.7Very high11 Ų1139.5 Ų39.511%0.11322%0.22CC..SBendtrans79.813.9-177.900000113.6D103 N137D103-G106 PolarHBondContact O-N 3.4Å; D103-G106 PolarHBondContact OD1-N 2.96Å; G106-N137 WeakPolarHBondContact O-CA 3.43Å
107N98.2Very high96.9Very high7 Ų732.5 Ų32.54%0.03720%0.196CC..  trans-82.6148.1176.6-55.5-56.4000110.2H78 L102 D103 A105 Y111 W112 N137H78-N107 PolarHBondContact CD2-O 3.41Å; H78-N107 VanDerWaalsContact CD2-O 3.27Å; H78-N107 PolarHBondContact NE2-O 2.86Å; L102-N107 WeakPolarHBondContact CA-O 3.15Å; D103-N107 PolarHBondContact N-O 3.05Å; D103-N107 PolarHBondContact OD1-N 3.02Å; D103-N107 PolarHBondContact OD1-ND2 2.99Å; D103-N107 PolarHBondContact OD2-ND2 3.46Å; A105-N107 VanDerWaalsContact C-N 3.33Å; A105-N107 WeakPolarHBondContact CB-ND2 3.46Å; N107-Y111 HydrophobicContact CB-CD1 3.73Å; N107-Y111 HydrophobicContact CB-CE1 4.44Å; N107-Y111 HydrophobicContact CB-CG 4.01Å; N107-Y111 WeakPolarHBondContact OD1-CD1 3.12Å; N107-Y111 WeakPolarHBondContact OD1-CE1 3.27Å; N107-W112 WeakPolarHBondContact ND2-CZ2 3.27Å; N107-N137 WeakPolarHBondContact OD1-CB 3.34Å; N107-N137 PolarHBondContact OD1-ND2 3.45Å
108T98.3Very high97.1Very high3 Ų334 Ų342%0.01820%0.202CC..  trans-88.9168.316659.10000110.9H78 L102 L110 Y111 W112 Q135H78-T108 VanDerWaalsContact CD2-C 3.42Å; L102-T108 HydrophobicContact CD2-CG2 3.67Å; T108-L110 PolarHBondContact O-N 3.32Å; T108-L110 PolarHBondContact OG1-N 3.35Å; T108-Y111 WeakPolarHBondContact O-CB 3.35Å; T108-Y111 PolarHBondContact O-N 2.94Å; T108-Y111 PolarHBondContact OG1-N 3.34Å; T108-W112 PolarHBondContact O-N 3.28Å; T108-Q135 HydrophobicContact CG2-CB 3.86Å; T108-Q135 HydrophobicContact CG2-CG 3.86Å
109A98.2Very high97.4Very high1 Ų136.8 Ų36.81%0.00820%0.202CC..Hα-helixtrans-58.3-36.4168.500000112.2M77 H78 A81 Y111 W112 G113 L125M77-A109 HydrophobicContact CB-CB 4.05Å; M77-A109 HydrophobicContact CG-CB 3.57Å; M77-A109 HydrophobicContact SD-CB 3.84Å; H78-A109 PolarHBondContact CD2-N 3.47Å; A81-A109 HydrophobicContact CB-CB 4.09Å; A81-A109 VanDerWaalsContact CB-O 3.25Å; A81-A109 WeakPolarHBondContact CB-O 3.33Å; A109-Y111 VanDerWaalsContact C-N 3.35Å; A109-Y111 PolarHBondContact O-N 2.88Å; A109-W112 PolarHBondContact O-N 3.11Å; A109-G113 PolarHBondContact O-N 3.44Å; A109-L125 HydrophobicContact CB-CD1 4.16Å
110L98.7Very high97.6Very high3 Ų338.9 Ų38.92%0.01621%0.213CC..Hα-helixtrans-61.3-42176.2178.962.9000111.8T108 W112 G113 C114 V122 L125 L126 V131 V133 P143 L159T108-L110 PolarHBondContact O-N 3.32Å; T108-L110 PolarHBondContact OG1-N 3.35Å; L110-W112 VanDerWaalsContact C-N 3.33Å; L110-W112 PolarHBondContact O-N 3.12Å; L110-G113 PolarHBondContact O-N 3.02Å; L110-C114 WeakPolarHBondContact O-CB 3.45Å; L110-C114 PolarHBondContact O-N 3.37Å; L110-C114 PolarHBondContact O-SG 3.13Å; L110-V122 HydrophobicContact CD1-CG1 4.02Å; L110-V122 HydrophobicContact CD1-CG2 4.44Å; L110-L125 HydrophobicContact CB-CD1 4.24Å; L110-L125 HydrophobicContact CD1-CB 4.23Å; L110-L125 HydrophobicContact CD1-CD1 4.47Å; L110-L126 HydrophobicContact CD1-CD2 4.06Å; L110-L126 HydrophobicContact CD1-CG 4.11Å; L110-L126 HydrophobicContact CD2-CD2 3.89Å; L110-V131 HydrophobicContact CD2-CG2 4.17Å; L110-V133 HydrophobicContact CD2-CB 4.36Å; L110-V133 HydrophobicContact CD2-CG1 4.05Å; L110-P143 HydrophobicContact CD2-CB 4.3Å; L110-P143 HydrophobicContact CD2-CG 4.06Å; L110-P143 HydrophobicContact CG-CB 4.06Å; L110-P143 HydrophobicContact CG-CG 4.05Å; L110-L159 HydrophobicContact CD1-CD2 4.39Å; L110-L159 HydrophobicContact CD2-CD2 4.25Å
111Y98.8Very high97.7Very high23 Ų2335.9 Ų35.99%0.0920%0.197CC..Hα-helixtrans-57-47173.9178-83.1000111.2N107 T108 A109 C114 H115 D141 A146N107-Y111 HydrophobicContact CB-CD1 3.73Å; N107-Y111 HydrophobicContact CB-CE1 4.44Å; N107-Y111 HydrophobicContact CB-CG 4.01Å; N107-Y111 WeakPolarHBondContact OD1-CD1 3.12Å; N107-Y111 WeakPolarHBondContact OD1-CE1 3.27Å; T108-Y111 WeakPolarHBondContact O-CB 3.35Å; T108-Y111 PolarHBondContact O-N 2.94Å; T108-Y111 PolarHBondContact OG1-N 3.34Å; A109-Y111 VanDerWaalsContact C-N 3.35Å; A109-Y111 PolarHBondContact O-N 2.88Å; Y111-C114 PolarHBondContact O-N 3.35Å; Y111-H115 HydrophobicContact CD1-CB 4.46Å; Y111-H115 HydrophobicContact CE1-CB 4.2Å; Y111-H115 VanDerWaalsContact O-CB 3.32Å; Y111-H115 WeakPolarHBondContact O-CB 3.38Å; Y111-H115 PolarHBondContact O-N 3.15Å; Y111-D141 HydrophobicContact CE2-CB 4Å; Y111-A146 HydrophobicContact CD2-CB 4.08Å; Y111-A146 HydrophobicContact CE2-CB 3.69Å
112W98.6Very high97.9Very high42 Ų4234.5 Ų34.516%0.15918%0.183CC..Hα-helixtrans-67.1-36.8179.9-74.5114.5000113.5H78 A81 K82 D103 N107 T108 A109 L110 H115 G116H78-W112 AromaticContact CD2-CD1 3.71Å; A81-W112 HydrophobicContact CB-CB 4.32Å; K82-W112 HydrophobicContact CB-CB 4.04Å; K82-W112 HydrophobicContact CB-CD2 4.37Å; K82-W112 HydrophobicContact CB-CE3 4.4Å; K82-W112 HydrophobicContact CB-CG 4.26Å; K82-W112 HydrophobicContact CD-CD2 4.17Å; K82-W112 HydrophobicContact CD-CE3 3.88Å; K82-W112 HydrophobicContact CD-CZ3 4.11Å; K82-W112 HydrophobicContact CG-CD2 4.35Å; K82-W112 HydrophobicContact CG-CE3 3.95Å; D103-W112 PolarHBondContact OD2-NE1 2.81Å; N107-W112 WeakPolarHBondContact ND2-CZ2 3.27Å; T108-W112 PolarHBondContact O-N 3.28Å; A109-W112 PolarHBondContact O-N 3.11Å; L110-W112 VanDerWaalsContact C-N 3.33Å; L110-W112 PolarHBondContact O-N 3.12Å; W112-H115 PolarHBondContact O-N 2.96Å; W112-G116 PolarHBondContact O-N 3.3Å
113G98.5Very high98.1Very high0 Ų036.3 Ų36.30%019%0.189CC..Hα-helixtrans-60.5-45.8171.600000111.8A109 L110 G116 G117 H118A109-G113 PolarHBondContact O-N 3.44Å; L110-G113 PolarHBondContact O-N 3.02Å; G113-G116 PolarHBondContact O-N 3.41Å; G113-G117 PolarHBondContact O-N 3.15Å; G113-G117 VanDerWaalsContact O-N 3.12Å; G113-H118 PolarHBondContact O-N 3.15Å; G113-H118 VanDerWaalsContact O-N 3.11Å
114C98.7Very high98.2Very high0 Ų036.5 Ų36.50%019%0.19CC..Hα-helixtrans-65.5-43.6177.1-65.20000112.5L110 Y111 G116 G117 P143 A146 A147 Y152 I155L110-C114 WeakPolarHBondContact O-CB 3.45Å; L110-C114 PolarHBondContact O-N 3.37Å; L110-C114 PolarHBondContact O-SG 3.13Å; Y111-C114 PolarHBondContact O-N 3.35Å; C114-G116 VanDerWaalsContact C-N 3.28Å; C114-G116 PolarHBondContact O-N 3.2Å; C114-G117 PolarHBondContact O-N 3.33Å; C114-P143 HydrophobicContact CB-CB 4.37Å; C114-A146 HydrophobicContact CB-CB 4.49Å; C114-A147 HydrophobicContact CB-CB 4.21Å; C114-Y152 VanDerWaalsContact O-CD2 3.28Å; C114-Y152 WeakPolarHBondContact O-CD2 3.16Å; C114-I155 HydrophobicContact CB-CG2 4.1Å
115H98.4Very high98.3Very high49 Ų4928.8 Ų28.823%0.22716%0.157CC..Hα-helixtrans-66-31.2177.4179.9-79.1000112.3Y111 W112 A146 W149 K150Y111-H115 HydrophobicContact CD1-CB 4.46Å; Y111-H115 HydrophobicContact CE1-CB 4.2Å; Y111-H115 VanDerWaalsContact O-CB 3.32Å; Y111-H115 WeakPolarHBondContact O-CB 3.38Å; Y111-H115 PolarHBondContact O-N 3.15Å; W112-H115 PolarHBondContact O-N 2.96Å; H115-A146 HydrophobicContact CB-CB 4.09Å; H115-W149 AromaticContact NE2-CZ3 3.63Å; H115-K150 VanDerWaalsContact CE1-CE 3.44Å; H115-K150 WeakPolarHBondContact CE1-CE 3.49Å; H115-K150 WeakPolarHBondContact NE2-CE 3.28Å
116G97.5Very high98.3Very high24 Ų2427.1 Ų27.125%0.24714%0.142CC..Hα-helixtrans-85.1-13.5179.700000115.1W112 G113 C114 H118W112-G116 PolarHBondContact O-N 3.3Å; G113-G116 PolarHBondContact O-N 3.41Å; C114-G116 VanDerWaalsContact C-N 3.28Å; C114-G116 PolarHBondContact O-N 3.2Å; G116-H118 VanDerWaalsContact C-N 3.31Å
117G98Very high98.3Very high24 Ų2430 Ų3025%0.24716%0.161CC..THydrogen-bonded Turntrans77.416.9-175.900000114G113 C114 K119 Y152G113-G117 PolarHBondContact O-N 3.15Å; G113-G117 VanDerWaalsContact O-N 3.12Å; C114-G117 PolarHBondContact O-N 3.33Å; G117-K119 PolarHBondContact O-N 2.78Å; G117-Y152 VanDerWaalsContact CA-CD2 3.43Å
118H98.5Very high98.2Very high49 Ų4932.3 Ų32.323%0.22717%0.171CC..  trans-84.385.3-174.7-57.6-56.7000109.9A81 K82 G84 G113 G116 D120 V121 V122A81-H118 PolarHBondContact O-CD2 3.06Å; K82-H118 PolarHBondContact O-NE2 2.85Å; G84-H118 PolarHBondContact N-NE2 3.22Å; G113-H118 PolarHBondContact O-N 3.15Å; G113-H118 VanDerWaalsContact O-N 3.11Å; G116-H118 VanDerWaalsContact C-N 3.31Å; H118-D120 VanDerWaalsContact C-N 3.33Å; H118-D120 PolarHBondContact O-N 3.05Å; H118-V121 HydrophobicContact CB-CB 3.76Å; H118-V121 HydrophobicContact CB-CG2 3.83Å; H118-V121 WeakPolarHBondContact O-CB 3.45Å; H118-V121 PolarHBondContact O-N 3.21Å; H118-V122 WeakPolarHBondContact O-CG2 3.24Å; H118-V122 PolarHBondContact O-N 3.04Å
119K98.3Very high97.9Very high101 Ų10136.7 Ų36.744%0.43920%0.2SC..Hα-helixtrans-56.1-45.5-174-172.7-170.2-179.8169.20112.9G117 V122 E123 D154 M158G117-K119 PolarHBondContact O-N 2.78Å; K119-V122 PolarHBondContact O-N 3.35Å; K119-E123 WeakPolarHBondContact O-CB 3.49Å; K119-E123 PolarHBondContact O-N 2.93Å; K119-D154 WeakPolarHBondContact CD-OD2 3.43Å; K119-M158 HydrophobicContact CB-CE 4.35Å; K119-M158 HydrophobicContact CG-CE 3.48Å; K119-M158 VanDerWaalsContact CG-CE 3.48Å; K119-M158 HydrophobicContact CG-SD 4.12Å
120D98.3Very high97.5Very high74 Ų7443.7 Ų43.740%0.39624%0.237SC..Hα-helixtrans-63.2-41179.256.3-14.7000112.9M86 H118 L124M86-D120 HydrophobicContact CE-CB 4.25Å; M86-D120 HydrophobicContact CG-CB 4.24Å; M86-D120 WeakPolarHBondContact CG-OD2 3.18Å; M86-D120 VanDerWaalsContact SD-C 3.59Å; M86-D120 HydrophobicContact SD-CB 4.06Å; H118-D120 VanDerWaalsContact C-N 3.33Å; H118-D120 PolarHBondContact O-N 3.05Å; D120-L124 WeakPolarHBondContact O-CB 3.24Å; D120-L124 PolarHBondContact O-N 3.16Å
121V98.6Very high97.3Very high0 Ų044.8 Ų44.80%024%0.244CC..Hα-helixtrans-61-48.4172.21630000110.5A81 M86 L89 H118 L124 L125A81-V121 HydrophobicContact CB-CG1 3.73Å; M86-V121 HydrophobicContact CG-CG2 4.24Å; M86-V121 VanDerWaalsContact SD-CA 3.53Å; M86-V121 HydrophobicContact SD-CB 4.13Å; M86-V121 HydrophobicContact SD-CG2 3.48Å; M86-V121 WeakPolarHBondContact SD-CG2 3.35Å; M86-V121 PolarHBondContact SD-N 3.28Å; M86-V121 VanDerWaalsContact SD-N 3.41Å; L89-V121 HydrophobicContact CD2-CB 4.04Å; L89-V121 HydrophobicContact CD2-CG1 3.68Å; L89-V121 HydrophobicContact CD2-CG2 3.89Å; H118-V121 HydrophobicContact CB-CB 3.76Å; H118-V121 HydrophobicContact CB-CG2 3.83Å; H118-V121 WeakPolarHBondContact O-CB 3.45Å; H118-V121 PolarHBondContact O-N 3.21Å; V121-L124 PolarHBondContact O-N 3.43Å; V121-L125 HydrophobicContact CG1-CD1 3.85Å; V121-L125 WeakPolarHBondContact O-CB 3.29Å; V121-L125 VanDerWaalsContact O-CG 3.3Å; V121-L125 WeakPolarHBondContact O-CG 3.37Å; V121-L125 PolarHBondContact O-N 3.17Å
122V98.6Very high97.2Very high0 Ų047.2 Ų47.20%026%0.256CS..Hα-helixtrans-63-46.3-179.5171.50000110.6L110 H118 K119 L124 L125 L126 I155 M158L110-V122 HydrophobicContact CD1-CG1 4.02Å; L110-V122 HydrophobicContact CD1-CG2 4.44Å; H118-V122 WeakPolarHBondContact O-CG2 3.24Å; H118-V122 PolarHBondContact O-N 3.04Å; K119-V122 PolarHBondContact O-N 3.35Å; V122-L124 PolarHBondContact O-N 3.01Å; V122-L125 PolarHBondContact O-N 3.37Å; V122-L126 HydrophobicContact CG1-CD1 3.58Å; V122-L126 HydrophobicContact CG1-CG 4.07Å; V122-L126 VanDerWaalsContact O-CB 3.29Å; V122-L126 WeakPolarHBondContact O-CB 3.25Å; V122-L126 VanDerWaalsContact O-CG 3.24Å; V122-L126 WeakPolarHBondContact O-CG 3.37Å; V122-L126 PolarHBondContact O-N 2.89Å; V122-I155 HydrophobicContact CG1-CG2 4.24Å; V122-I155 HydrophobicContact CG2-CD1 4.28Å; V122-I155 HydrophobicContact CG2-CG2 4.22Å; V122-M158 HydrophobicContact CB-CE 4.01Å; V122-M158 HydrophobicContact CG1-CE 3.78Å
123E98.5Very high97.2Very high121 Ų12145.9 Ų45.957%0.56525%0.252SS*.Hα-helixtrans-57.9-47.6177.5-177.7172.2-142.500111.4K119 L126 S127 M158K119-E123 WeakPolarHBondContact O-CB 3.49Å; K119-E123 PolarHBondContact O-N 2.93Å; E123-L126 PolarHBondContact O-N 3.48Å; E123-S127 PolarHBondContact O-N 2.85Å; E123-M158 HydrophobicContact CB-SD 4.15Å
124L98.4Very high97.2Very high30 Ų3047.7 Ų47.716%0.15726%0.262CS..Hα-helixtrans-60.5-48.7177.117862.9000111.5M86 L89 R90 L93 D120 V121 V122 L126 S127 Q128M86-L124 HydrophobicContact CE-CB 3.97Å; M86-L124 HydrophobicContact CE-CD2 3.65Å; M86-L124 HydrophobicContact CE-CG 4.42Å; M86-L124 HydrophobicContact SD-CD2 4.43Å; L89-L124 HydrophobicContact CD2-CD2 4.02Å; L89-L124 HydrophobicContact CG-CD2 4.26Å; R90-L124 HydrophobicContact CG-CD2 3.66Å; L93-L124 HydrophobicContact CD1-CD1 4.26Å; L93-L124 HydrophobicContact CD1-CD2 3.88Å; L93-L124 HydrophobicContact CD1-CG 3.92Å; D120-L124 WeakPolarHBondContact O-CB 3.24Å; D120-L124 PolarHBondContact O-N 3.16Å; V121-L124 PolarHBondContact O-N 3.43Å; V122-L124 PolarHBondContact O-N 3.01Å; L124-L126 PolarHBondContact O-N 3.23Å; L124-S127 WeakPolarHBondContact O-CB 3.32Å; L124-S127 PolarHBondContact O-N 2.7Å; L124-S127 PolarHBondContact O-OG 2.8Å; L124-Q128 WeakPolarHBondContact O-CG 3.33Å; L124-Q128 PolarHBondContact O-NE2 3.05Å
125L98.1Very high97.2Very high1 Ų150.9 Ų50.91%0.00528%0.277CS..Hα-helixtrans-62.6-41.6179.8-70.9172.7000112.1M77 L89 I99 A109 L110 V121 V122 S127 Q128M77-L125 HydrophobicContact SD-CD2 4Å; L89-L125 HydrophobicContact CD1-CD2 4.29Å; L89-L125 HydrophobicContact CD2-CG 4.32Å; I99-L125 HydrophobicContact CD1-CD2 4.04Å; I99-L125 HydrophobicContact CG1-CD2 4.01Å; A109-L125 HydrophobicContact CB-CD1 4.16Å; L110-L125 HydrophobicContact CB-CD1 4.24Å; L110-L125 HydrophobicContact CD1-CB 4.23Å; L110-L125 HydrophobicContact CD1-CD1 4.47Å; V121-L125 HydrophobicContact CG1-CD1 3.85Å; V121-L125 WeakPolarHBondContact O-CB 3.29Å; V121-L125 VanDerWaalsContact O-CG 3.3Å; V121-L125 WeakPolarHBondContact O-CG 3.37Å; V121-L125 PolarHBondContact O-N 3.17Å; V122-L125 PolarHBondContact O-N 3.37Å; L125-S127 PolarHBondContact O-N 3.41Å; L125-Q128 WeakPolarHBondContact O-CB 3.3Å; L125-Q128 PolarHBondContact O-N 3.38Å; L125-Q128 VanDerWaalsContact O-N 3.13Å
126L98.3Very high97.2Very high7 Ų752.3 Ų52.34%0.03728%0.284CS..Hα-helixtrans-69.1-19.4178-72.5-179.3000113.8L110 V122 E123 L124 Q128 V131 V133 M158 L159 K162L110-L126 HydrophobicContact CD1-CD2 4.06Å; L110-L126 HydrophobicContact CD1-CG 4.11Å; L110-L126 HydrophobicContact CD2-CD2 3.89Å; V122-L126 HydrophobicContact CG1-CD1 3.58Å; V122-L126 HydrophobicContact CG1-CG 4.07Å; V122-L126 VanDerWaalsContact O-CB 3.29Å; V122-L126 WeakPolarHBondContact O-CB 3.25Å; V122-L126 VanDerWaalsContact O-CG 3.24Å; V122-L126 WeakPolarHBondContact O-CG 3.37Å; V122-L126 PolarHBondContact O-N 2.89Å; E123-L126 PolarHBondContact O-N 3.48Å; L124-L126 PolarHBondContact O-N 3.23Å; L126-Q128 VanDerWaalsContact C-N 3.33Å; L126-V131 HydrophobicContact CD2-CG1 4.42Å; L126-V133 HydrophobicContact CD2-CG1 3.62Å; L126-M158 HydrophobicContact CD1-CB 3.96Å; L126-L159 HydrophobicContact CD1-CD2 4.25Å; L126-L159 HydrophobicContact CD2-CD2 4.25Å; L126-K162 HydrophobicContact CB-CG 4.09Å; L126-K162 HydrophobicContact CD1-CG 4.12Å; L126-K162 HydrophobicContact CD2-CB 4.11Å; L126-K162 HydrophobicContact CD2-CG 4.09Å; L126-K162 HydrophobicContact CG-CG 4.33Å; L126-K162 WeakPolarHBondContact O-CE 3.19Å; L126-K162 PolarHBondContact O-NZ 3.27Å
127S97.3Very high97.2Very high71 Ų7151.9 Ų51.950%0.49728%0.276SS..Hα-helixtrans-77.7-18.8172.777.90000113.2E123 L124 L125E123-S127 PolarHBondContact O-N 2.85Å; L124-S127 WeakPolarHBondContact O-CB 3.32Å; L124-S127 PolarHBondContact O-N 2.7Å; L124-S127 PolarHBondContact O-OG 2.8Å; L125-S127 PolarHBondContact O-N 3.41Å
128Q96.1Very high97.2Very high55 Ų5557.7 Ų57.726%0.25729%0.294SS..SBendtrans-75.5146.8-177.2-59.2-54.8-62.900111.9L93 I99 L124 L125 L126L93-Q128 HydrophobicContact CD1-CG 4.14Å; L93-Q128 HydrophobicContact CD2-CG 3.97Å; I99-Q128 HydrophobicContact CD1-CB 3.29Å; I99-Q128 HydrophobicContact CD1-CG 3.57Å; L124-Q128 WeakPolarHBondContact O-CG 3.33Å; L124-Q128 PolarHBondContact O-NE2 3.05Å; L125-Q128 WeakPolarHBondContact O-CB 3.3Å; L125-Q128 PolarHBondContact O-N 3.38Å; L125-Q128 VanDerWaalsContact O-N 3.13Å; L126-Q128 VanDerWaalsContact C-N 3.33Å
129P91.1Very high97.2Very high96 Ų9660.7 Ų60.762%0.62331%0.312SS*.THydrogen-bonded Turntrans-66145175.528.3-34.4000111.1V131P129-V131 PolarHBondContact O-N 2.99Å; P129-V131 VanDerWaalsContact O-N 3.17Å
130N89.6Confident97.2Very high147 Ų14756 Ų5679%0.78629%0.292SS*.THydrogen-bonded Turntrans59.321.2174.9-51.5-44.6000115.6N100 E132N100-N130 PolarHBondContact ND2-O 3.28Å; N130-E132 PolarHBondContact O-N 3.32Å
131V95.6Very high97.2Very high26 Ų2653.4 Ų53.416%0.15828%0.278CS..  trans-62.8127.5173.7650000110.6I99 L110 L126 P129 V133I99-V131 HydrophobicContact CD1-CB 4.15Å; I99-V131 HydrophobicContact CD1-CG2 4.09Å; L110-V131 HydrophobicContact CD2-CG2 4.17Å; L126-V131 HydrophobicContact CD2-CG1 4.42Å; P129-V131 PolarHBondContact O-N 2.99Å; P129-V131 VanDerWaalsContact O-N 3.17Å; V131-V133 HydrophobicContact CG1-CG1 4.22Å; V131-V133 PolarHBondContact O-N 3.35Å
132E97.1Very high97.3Very high74 Ų7453.4 Ų53.435%0.34628%0.278SS..  trans-84.6109178.2179.654.3-103.700110.1N100 N130 N134 Q135N100-E132 HydrophobicContact CB-CB 4.46Å; N100-E132 PolarHBondContact OD1-N 3.15Å; N130-E132 PolarHBondContact O-N 3.32Å; E132-N134 WeakPolarHBondContact OE1-CA 3.36Å; E132-N134 WeakPolarHBondContact OE1-CB 3.22Å; E132-N134 PolarHBondContact OE1-N 2.93Å; E132-Q135 HydrophobicContact CG-CB 3.73Å
133V98Very high97.3Very high14 Ų1453.4 Ų53.49%0.08528%0.278CS..SBendtrans-90.7-15.4-176.3-59.10000113.4L110 L126 V131 P143 K162L110-V133 HydrophobicContact CD2-CB 4.36Å; L110-V133 HydrophobicContact CD2-CG1 4.05Å; L126-V133 HydrophobicContact CD2-CG1 3.62Å; V131-V133 HydrophobicContact CG1-CG1 4.22Å; V131-V133 PolarHBondContact O-N 3.35Å; V133-P143 WeakPolarHBondContact O-CD 3.46Å; V133-K162 HydrophobicContact CG1-CB 4.49Å
134N98.1Very high97.3Very high38 Ų3847.7 Ų47.720%0.20325%0.251CS..SBendtrans-112.96.4-172.7-60.8-51000113.7E132 Q136 R165 I168E132-N134 WeakPolarHBondContact OE1-CA 3.36Å; E132-N134 WeakPolarHBondContact OE1-CB 3.22Å; E132-N134 PolarHBondContact OE1-N 2.93Å; N134-Q136 PolarHBondContact O-N 3.19Å; N134-R165 WeakPolarHBondContact OD1-CB 3.39Å; N134-R165 PolarHBondContact OD1-N 3.16Å; N134-I168 HydrophobicContact CB-CD1 3.86Å
135Q98.4Very high97.3Very high68 Ų6846.4 Ų46.432%0.31824%0.244SC..  trans-55124.1178.2-179.362.357.200110.5L102 T108 E132 T142L102-Q135 HydrophobicContact CD2-CG 3.72Å; T108-Q135 HydrophobicContact CG2-CB 3.86Å; T108-Q135 HydrophobicContact CG2-CG 3.86Å; E132-Q135 HydrophobicContact CG-CB 3.73Å; Q135-T142 WeakPolarHBondContact O-CA 3.14Å
136Q98.5Very high97.3Very high79 Ų7946.4 Ų46.437%0.36925%0.245SC..  trans-88.1130.8170.6-68.2-174.5-8700110N134 G140 D141 T142 I168 K169N134-Q136 PolarHBondContact O-N 3.19Å; Q136-G140 WeakPolarHBondContact CG-O 3.27Å; Q136-G140 PolarHBondContact NE2-O 3.3Å; Q136-D141 WeakPolarHBondContact CA-O 3.33Å; Q136-T142 HydrophobicContact CG-CG2 3.78Å; Q136-I168 HydrophobicContact CG-CG2 3.78Å; Q136-K169 PolarHBondContact NE2-O 2.97Å
137N98.5Very high97.3Very high15 Ų1546.1 Ų46.18%0.0824%0.243CC..  trans-77.4-174.5171.473.311.3000111.2G106 N107 L139 G140 D141G106-N137 WeakPolarHBondContact O-CA 3.43Å; N107-N137 WeakPolarHBondContact OD1-CB 3.34Å; N107-N137 PolarHBondContact OD1-ND2 3.45Å; N137-L139 PolarHBondContact O-N 3.18Å; N137-L139 VanDerWaalsContact O-N 3.14Å; N137-L139 WeakPolarHBondContact OD1-CA 3.39Å; N137-L139 WeakPolarHBondContact OD1-CB 3.47Å; N137-L139 PolarHBondContact OD1-N 3.18Å; N137-G140 PolarHBondContact O-N 3.47Å; N137-G140 PolarHBondContact OD1-N 2.92Å; N137-D141 PolarHBondContact N-O 3.22Å; N137-D141 PolarHBondContact OD1-N 3.4Å
138K98.6Very high97.4Very high146 Ų14642.7 Ų42.764%0.63522%0.219SC*.THydrogen-bonded Turntrans-62.7-19.2179.5-73.8-179.1178.7178.30114.8K104 A105 G140 N171K104-K138 WeakPolarHBondContact O-CE 3.5Å; K104-K138 PolarHBondContact O-NZ 3Å; A105-K138 WeakPolarHBondContact O-CB 3.38Å; A105-K138 WeakPolarHBondContact O-CG 3.31Å; A105-K138 PolarHBondContact O-N 3.49Å; K138-G140 VanDerWaalsContact C-N 3.33Å; K138-N171 PolarHBondContact O-ND2 3.35Å
139L98.2Very high97.5Very high112 Ų11245.6 Ų45.659%0.58623%0.228SC*.THydrogen-bonded Turntrans-90.7-0.2174-57.7178.3000112.3N137 D141 N171N137-L139 PolarHBondContact O-N 3.18Å; N137-L139 VanDerWaalsContact O-N 3.14Å; N137-L139 WeakPolarHBondContact OD1-CA 3.39Å; N137-L139 WeakPolarHBondContact OD1-CB 3.47Å; N137-L139 PolarHBondContact OD1-N 3.18Å; L139-D141 PolarHBondContact O-N 3.17Å; L139-N171 VanDerWaalsContact O-CB 3.27Å; L139-N171 WeakPolarHBondContact O-CB 3.41Å; L139-N171 PolarHBondContact O-N 3.46Å
140G98.3Very high97.8Very high2 Ų244.2 Ų44.22%0.02121%0.212CC..SBendtrans79.83-174.700000113.4Q136 N137 K138 N170Q136-G140 WeakPolarHBondContact CG-O 3.27Å; Q136-G140 PolarHBondContact NE2-O 3.3Å; N137-G140 PolarHBondContact O-N 3.47Å; N137-G140 PolarHBondContact OD1-N 2.92Å; K138-G140 VanDerWaalsContact C-N 3.33Å; G140-N170 WeakPolarHBondContact O-CA 3.39Å; G140-N170 WeakPolarHBondContact O-CB 3.32Å
141D98.6Very high98.2Very high19 Ų1937.9 Ų37.910%0.10218%0.181CC..  trans-79.2140-178.5-67.6-44.1000111.3Y111 Q136 N137 L139 H145 N170Y111-D141 HydrophobicContact CE2-CB 4Å; Q136-D141 WeakPolarHBondContact CA-O 3.33Å; N137-D141 PolarHBondContact N-O 3.22Å; N137-D141 PolarHBondContact OD1-N 3.4Å; L139-D141 PolarHBondContact O-N 3.17Å; D141-H145 HydrophobicContact CB-CB 3.99Å; D141-H145 IonicContact OD1-CD2 3.64Å; D141-H145 IonicContact OD1-CG 2.75Å; D141-N170 VanDerWaalsContact OD1-CB 3.27Å; D141-N170 WeakPolarHBondContact OD1-CB 3.34Å; D141-N170 PolarHBondContact OD1-ND2 2.89Å
142T98.8Very high98.3Very high1 Ų140.4 Ų40.41%0.00619%0.188CC..  trans-98.9168.3171.570.50000111Q135 Q136 L144 H145 A146 I168Q135-T142 WeakPolarHBondContact O-CA 3.14Å; Q136-T142 HydrophobicContact CG-CG2 3.78Å; T142-L144 PolarHBondContact O-N 2.92Å; T142-L144 VanDerWaalsContact O-N 3.15Å; T142-L144 PolarHBondContact OG1-N 2.93Å; T142-H145 PolarHBondContact N-ND1 2.86Å; T142-H145 WeakPolarHBondContact O-CB 3.27Å; T142-H145 PolarHBondContact O-N 2.83Å; T142-H145 PolarHBondContact OG1-N 3.19Å; T142-H145 PolarHBondContact OG1-ND1 2.98Å; T142-A146 PolarHBondContact O-N 2.93Å; T142-I168 HydrophobicContact CG2-CB 4.21Å; T142-I168 HydrophobicContact CG2-CD1 3.96Å; T142-I168 HydrophobicContact CG2-CG2 3.73Å
143P98.7Very high98.3Very high0 Ų038.6 Ų38.60%018%0.184CC..Hα-helixtrans-52-34.1170.3-27.835.2000113.5L110 C114 V133 A146 A147 L159L110-P143 HydrophobicContact CD2-CB 4.3Å; L110-P143 HydrophobicContact CD2-CG 4.06Å; L110-P143 HydrophobicContact CG-CB 4.06Å; L110-P143 HydrophobicContact CG-CG 4.05Å; C114-P143 HydrophobicContact CB-CB 4.37Å; V133-P143 WeakPolarHBondContact O-CD 3.46Å; P143-A146 PolarHBondContact O-N 2.82Å; P143-A147 PolarHBondContact O-N 3.19Å; P143-L159 HydrophobicContact CB-CD1 4.34Å; P143-L159 HydrophobicContact CB-CD2 4.22Å
144L98.6Very high98.3Very high0 Ų040.8 Ų40.80%020%0.195CC..Hα-helixtrans-68.3-37.8176.7-172.165.3000112.7T142 A146 A148 V156 L159 L160 A164 I166 A176T142-L144 PolarHBondContact O-N 2.92Å; T142-L144 VanDerWaalsContact O-N 3.15Å; T142-L144 PolarHBondContact OG1-N 2.93Å; L144-A146 VanDerWaalsContact C-N 3.32Å; L144-A146 PolarHBondContact O-N 2.79Å; L144-A148 VanDerWaalsContact O-CB 3.25Å; L144-A148 WeakPolarHBondContact O-CB 3.32Å; L144-A148 PolarHBondContact O-N 3.47Å; L144-V156 HydrophobicContact CD1-CB 4.46Å; L144-V156 HydrophobicContact CD1-CG1 4.12Å; L144-V156 HydrophobicContact CD1-CG2 4.3Å; L144-L159 HydrophobicContact CB-CD1 4.17Å; L144-L159 HydrophobicContact CD1-CB 4.08Å; L144-L159 HydrophobicContact CD1-CD1 3.96Å; L144-L160 HydrophobicContact CD1-CD2 4.5Å; L144-L160 HydrophobicContact CD1-CG 4.49Å; L144-L160 HydrophobicContact CD2-CD2 4.21Å; L144-A164 HydrophobicContact CD2-CB 4.39Å; L144-I166 HydrophobicContact CD2-CG2 3.93Å; L144-A176 HydrophobicContact CB-CB 4.29Å; L144-A176 HydrophobicContact CD2-CB 3.91Å; L144-A176 HydrophobicContact CG-CB 3.74Å
145H98.7Very high98.4Very high3 Ų339 Ų391%0.01419%0.186CC..Hα-helixtrans-59.9-45.5172.7-70.779.8000110.6D141 T142 A148 W149 I168 K174 A176D141-H145 HydrophobicContact CB-CB 3.99Å; D141-H145 IonicContact OD1-CD2 3.64Å; D141-H145 IonicContact OD1-CG 2.75Å; T142-H145 PolarHBondContact N-ND1 2.86Å; T142-H145 WeakPolarHBondContact O-CB 3.27Å; T142-H145 PolarHBondContact O-N 2.83Å; T142-H145 PolarHBondContact OG1-N 3.19Å; T142-H145 PolarHBondContact OG1-ND1 2.98Å; H145-A148 PolarHBondContact O-N 2.93Å; H145-W149 VanDerWaalsContact O-CB 3.26Å; H145-W149 WeakPolarHBondContact O-CB 3.3Å; H145-W149 PolarHBondContact O-N 2.95Å; H145-I168 PolarHBondContact CE1-O 2.81Å; H145-I168 PolarHBondContact NE2-O 3.49Å; H145-K174 PolarHBondContact NE2-O 2.92Å; H145-K174 VanDerWaalsContact NE2-O 3.13Å; H145-A176 PolarHBondContact NE2-N 2.99Å
146A98.4Very high98.4Very high2 Ų235.8 Ų35.82%0.01717%0.171CC..Hα-helixtrans-62.5-49179.200000112.4Y111 C114 H115 T142 P143 L144 A148 W149 K150Y111-A146 HydrophobicContact CD2-CB 4.08Å; Y111-A146 HydrophobicContact CE2-CB 3.69Å; C114-A146 HydrophobicContact CB-CB 4.49Å; H115-A146 HydrophobicContact CB-CB 4.09Å; T142-A146 PolarHBondContact O-N 2.93Å; P143-A146 PolarHBondContact O-N 2.82Å; L144-A146 VanDerWaalsContact C-N 3.32Å; L144-A146 PolarHBondContact O-N 2.79Å; A146-A148 PolarHBondContact O-N 3.24Å; A146-W149 PolarHBondContact O-N 3.41Å; A146-K150 WeakPolarHBondContact O-CB 3.43Å; A146-K150 WeakPolarHBondContact O-CG 3.48Å; A146-K150 PolarHBondContact O-N 2.92Å
147A98.6Very high98.3Very high0 Ų037.1 Ų37.10%018%0.177CC..Hα-helixtrans-62.5-41.917900000112.4C114 P143 K150 G151 Y152 I155 V156 L159C114-A147 HydrophobicContact CB-CB 4.21Å; P143-A147 PolarHBondContact O-N 3.19Å; A147-K150 PolarHBondContact O-N 3.27Å; A147-G151 PolarHBondContact O-N 3.48Å; A147-Y152 PolarHBondContact O-N 3.14Å; A147-I155 HydrophobicContact CB-CB 4.26Å; A147-I155 HydrophobicContact CB-CG2 3.61Å; A147-V156 HydrophobicContact CB-CG2 3.82Å; A147-L159 HydrophobicContact CB-CD1 3.97Å
148A98.4Very high98.3Very high0 Ų037.9 Ų37.90%018%0.181CC..Hα-helixtrans-64.3-4717700000111.6L144 H145 A146 K150 G151 V156 A176 A180 T181 I189L144-A148 VanDerWaalsContact O-CB 3.25Å; L144-A148 WeakPolarHBondContact O-CB 3.32Å; L144-A148 PolarHBondContact O-N 3.47Å; H145-A148 PolarHBondContact O-N 2.93Å; A146-A148 PolarHBondContact O-N 3.24Å; A148-K150 VanDerWaalsContact C-N 3.32Å; A148-K150 PolarHBondContact O-N 3.3Å; A148-G151 PolarHBondContact O-N 3.05Å; A148-G151 VanDerWaalsContact O-N 3.08Å; A148-V156 HydrophobicContact CB-CG2 4.46Å; A148-A176 WeakPolarHBondContact CB-O 3.24Å; A148-A180 HydrophobicContact CB-CB 4.32Å; A148-A180 WeakPolarHBondContact O-CA 3.49Å; A148-T181 PolarHBondContact O-N 3.28Å; A148-I189 HydrophobicContact CB-CD1 3.92Å
149W98.3Very high98.3Very high115 Ų11531 Ų3144%0.43615%0.15SC..Hα-helixtrans-60.4-40177.6-179.261.4000112.9H115 H145 A146 G151 M179 T181H115-W149 AromaticContact NE2-CZ3 3.63Å; H145-W149 VanDerWaalsContact O-CB 3.26Å; H145-W149 WeakPolarHBondContact O-CB 3.3Å; H145-W149 PolarHBondContact O-N 2.95Å; A146-W149 PolarHBondContact O-N 3.41Å; W149-G151 VanDerWaalsContact C-N 3.29Å; W149-G151 PolarHBondContact O-N 2.87Å; W149-M179 VanDerWaalsContact CA-O 3.24Å; W149-M179 WeakPolarHBondContact CA-O 3.1Å; W149-M179 HydrophobicContact CB-CB 4.26Å; W149-M179 HydrophobicContact CB-CE 4.34Å; W149-M179 HydrophobicContact CG-CE 4.18Å; W149-T181 WeakPolarHBondContact O-CB 3.27Å; W149-T181 WeakPolarHBondContact O-CG2 3.15Å; W149-T181 PolarHBondContact O-OG1 2.81Å
150K98.1Very high98.2Very high68 Ų6826.1 Ų26.130%0.29613%0.125SC..Hα-helixtrans-78.9-11.7176.7-65.2-61.3-165.6-169.20114.4H115 A146 A147 A148 Y152H115-K150 VanDerWaalsContact CE1-CE 3.44Å; H115-K150 WeakPolarHBondContact CE1-CE 3.49Å; H115-K150 WeakPolarHBondContact NE2-CE 3.28Å; A146-K150 WeakPolarHBondContact O-CB 3.43Å; A146-K150 WeakPolarHBondContact O-CG 3.48Å; A146-K150 PolarHBondContact O-N 2.92Å; A147-K150 PolarHBondContact O-N 3.27Å; A148-K150 VanDerWaalsContact C-N 3.32Å; A148-K150 PolarHBondContact O-N 3.3Å; K150-Y152 HydrophobicContact CB-CD2 3.45Å; K150-Y152 VanDerWaalsContact CB-CD2 3.45Å; K150-Y152 HydrophobicContact CB-CE1 4.49Å; K150-Y152 HydrophobicContact CB-CE2 3.19Å; K150-Y152 HydrophobicContact CB-CG 4.22Å; K150-Y152 HydrophobicContact CG-CD2 4.35Å; K150-Y152 HydrophobicContact CG-CE2 3.81Å
151G97.6Very high98.1Very high13 Ų1329.3 Ų29.313%0.13415%0.151CC..THydrogen-bonded Turntrans81.118.7177.600000114.7A147 A148 W149 S153 T181 N182A147-G151 PolarHBondContact O-N 3.48Å; A148-G151 PolarHBondContact O-N 3.05Å; A148-G151 VanDerWaalsContact O-N 3.08Å; W149-G151 VanDerWaalsContact C-N 3.29Å; W149-G151 PolarHBondContact O-N 2.87Å; G151-S153 PolarHBondContact O-N 2.91Å; G151-T181 PolarHBondContact N-OG1 3.14Å; G151-N182 WeakPolarHBondContact CA-ND2 3.46Å; G151-N182 PolarHBondContact O-ND2 2.91Å
152Y98.4Very high97.9Very high79 Ų7933.2 Ų33.231%0.3117%0.168SC..  trans-83.583.3-179.2-55.9-47.1000111.2C114 G117 A147 K150 D154 I155 V156C114-Y152 VanDerWaalsContact O-CD2 3.28Å; C114-Y152 WeakPolarHBondContact O-CD2 3.16Å; G117-Y152 VanDerWaalsContact CA-CD2 3.43Å; A147-Y152 PolarHBondContact O-N 3.14Å; K150-Y152 HydrophobicContact CB-CD2 3.45Å; K150-Y152 VanDerWaalsContact CB-CD2 3.45Å; K150-Y152 HydrophobicContact CB-CE1 4.49Å; K150-Y152 HydrophobicContact CB-CE2 3.19Å; K150-Y152 HydrophobicContact CB-CG 4.22Å; K150-Y152 HydrophobicContact CG-CD2 4.35Å; K150-Y152 HydrophobicContact CG-CE2 3.81Å; Y152-D154 VanDerWaalsContact C-N 3.31Å; Y152-D154 PolarHBondContact O-N 2.82Å; Y152-I155 HydrophobicContact CD2-CD1 4.13Å; Y152-I155 HydrophobicContact CG-CD1 4.18Å; Y152-I155 PolarHBondContact O-N 3.22Å; Y152-V156 WeakPolarHBondContact O-CG2 3.32Å; Y152-V156 PolarHBondContact O-N 3.45Å
153S97.7Very high97.7Very high37 Ų3739.2 Ų39.226%0.25920%0.2SC..Hα-helixtrans-62.9-33.4-173.561.10000114.4G151 V156 E157 C185 L188G151-S153 PolarHBondContact O-N 2.91Å; S153-V156 PolarHBondContact O-N 3.12Å; S153-E157 PolarHBondContact O-N 2.69Å; S153-C185 WeakPolarHBondContact CA-SG 3.36Å; S153-C185 PolarHBondContact N-SG 2.77Å; S153-C185 VanDerWaalsContact N-SG 3.44Å; S153-L188 WeakPolarHBondContact O-CD1 2.99Å
154D97.9Very high97.6Very high60 Ų6039.6 Ų39.632%0.32120%0.203SC..Hα-helixtrans-66.5-41.9173.858.9-22000112K119 Y152 E157 M158K119-D154 WeakPolarHBondContact CD-OD2 3.43Å; Y152-D154 VanDerWaalsContact C-N 3.31Å; Y152-D154 PolarHBondContact O-N 2.82Å; D154-E157 PolarHBondContact O-N 3.3Å; D154-M158 WeakPolarHBondContact O-CG 3.38Å; D154-M158 PolarHBondContact O-N 2.8Å
155I98.6Very high97.6Very high0 Ų045.6 Ų45.60%023%0.225CC..Hα-helixtrans-65.9-41.8173.6-65.6179.7000111.2C114 V122 A147 Y152 E157 M158 L159C114-I155 HydrophobicContact CB-CG2 4.1Å; V122-I155 HydrophobicContact CG1-CG2 4.24Å; V122-I155 HydrophobicContact CG2-CD1 4.28Å; V122-I155 HydrophobicContact CG2-CG2 4.22Å; A147-I155 HydrophobicContact CB-CB 4.26Å; A147-I155 HydrophobicContact CB-CG2 3.61Å; Y152-I155 HydrophobicContact CD2-CD1 4.13Å; Y152-I155 HydrophobicContact CG-CD1 4.18Å; Y152-I155 PolarHBondContact O-N 3.22Å; I155-E157 VanDerWaalsContact C-N 3.29Å; I155-E157 PolarHBondContact O-N 3.12Å; I155-M158 HydrophobicContact CB-CE 4.21Å; I155-M158 HydrophobicContact CG1-CE 3.74Å; I155-M158 PolarHBondContact O-N 2.8Å; I155-L159 HydrophobicContact CG2-CD1 4.16Å; I155-L159 HydrophobicContact CG2-CG 4.44Å; I155-L159 WeakPolarHBondContact O-CG 3.47Å; I155-L159 PolarHBondContact O-N 3.34Å
156V98.4Very high97.4Very high0 Ų046.6 Ų46.60%023%0.231CC..Hα-helixtrans-56.5-46.1172.9166.40000110.3L144 A147 A148 Y152 S153 M158 L159 L160 C185 L188 I189L144-V156 HydrophobicContact CD1-CB 4.46Å; L144-V156 HydrophobicContact CD1-CG1 4.12Å; L144-V156 HydrophobicContact CD1-CG2 4.3Å; A147-V156 HydrophobicContact CB-CG2 3.82Å; A148-V156 HydrophobicContact CB-CG2 4.46Å; Y152-V156 WeakPolarHBondContact O-CG2 3.32Å; Y152-V156 PolarHBondContact O-N 3.45Å; S153-V156 PolarHBondContact O-N 3.12Å; V156-M158 PolarHBondContact O-N 3.44Å; V156-L159 PolarHBondContact O-N 2.91Å; V156-L160 HydrophobicContact CG1-CD1 3.8Å; V156-L160 HydrophobicContact CG1-CG 4.32Å; V156-L160 WeakPolarHBondContact O-CB 3.42Å; V156-L160 WeakPolarHBondContact O-CG 3.49Å; V156-L160 PolarHBondContact O-N 3.19Å; V156-C185 HydrophobicContact CG2-CB 4.36Å; V156-L188 HydrophobicContact CG1-CB 4.05Å; V156-L188 HydrophobicContact CG1-CD1 4.25Å; V156-I189 HydrophobicContact CG1-CD1 4.17Å; V156-I189 HydrophobicContact CG1-CG1 3.74Å
157E97.6Very high97.3Very high107 Ų10750.9 Ų50.950%0.525%0.253SS..Hα-helixtrans-61-44.8177.6-173.4165.3-122.800112.3S153 D154 I155 L159 L160 A161 L188S153-E157 PolarHBondContact O-N 2.69Å; D154-E157 PolarHBondContact O-N 3.3Å; I155-E157 VanDerWaalsContact C-N 3.29Å; I155-E157 PolarHBondContact O-N 3.12Å; E157-L159 PolarHBondContact O-N 2.71Å; E157-L160 PolarHBondContact O-N 2.83Å; E157-A161 WeakPolarHBondContact O-CB 3.5Å; E157-A161 PolarHBondContact O-N 2.88Å; E157-L188 HydrophobicContact CB-CD1 4.3Å
158M98.1Very high97.3Very high32 Ų3251.7 Ų51.716%0.15826%0.257CS..Hα-helixtrans-60.2-44.9176.1-70-171-64.500112.6K119 V122 E123 L126 D154 I155 V156 A161 K162K119-M158 HydrophobicContact CB-CE 4.35Å; K119-M158 HydrophobicContact CG-CE 3.48Å; K119-M158 VanDerWaalsContact CG-CE 3.48Å; K119-M158 HydrophobicContact CG-SD 4.12Å; V122-M158 HydrophobicContact CB-CE 4.01Å; V122-M158 HydrophobicContact CG1-CE 3.78Å; E123-M158 HydrophobicContact CB-SD 4.15Å; L126-M158 HydrophobicContact CD1-CB 3.96Å; D154-M158 WeakPolarHBondContact O-CG 3.38Å; D154-M158 PolarHBondContact O-N 2.8Å; I155-M158 HydrophobicContact CB-CE 4.21Å; I155-M158 HydrophobicContact CG1-CE 3.74Å; I155-M158 PolarHBondContact O-N 2.8Å; V156-M158 PolarHBondContact O-N 3.44Å; M158-A161 WeakPolarHBondContact O-CB 3.35Å; M158-A161 PolarHBondContact O-N 2.72Å; M158-K162 PolarHBondContact O-N 2.93Å; M158-K162 VanDerWaalsContact O-N 3.12Å
159L98.1Very high97.2Very high0 Ų057.3 Ų57.30%028%0.282CS..Hα-helixtrans-62.6-44.2176.9-71.8172.3000111.5L110 L126 P143 L144 A147 I155 V156 E157 A161 K162 N163 A164L110-L159 HydrophobicContact CD1-CD2 4.39Å; L110-L159 HydrophobicContact CD2-CD2 4.25Å; L126-L159 HydrophobicContact CD1-CD2 4.25Å; L126-L159 HydrophobicContact CD2-CD2 4.25Å; P143-L159 HydrophobicContact CB-CD1 4.34Å; P143-L159 HydrophobicContact CB-CD2 4.22Å; L144-L159 HydrophobicContact CB-CD1 4.17Å; L144-L159 HydrophobicContact CD1-CB 4.08Å; L144-L159 HydrophobicContact CD1-CD1 3.96Å; A147-L159 HydrophobicContact CB-CD1 3.97Å; I155-L159 HydrophobicContact CG2-CD1 4.16Å; I155-L159 HydrophobicContact CG2-CG 4.44Å; I155-L159 WeakPolarHBondContact O-CG 3.47Å; I155-L159 PolarHBondContact O-N 3.34Å; V156-L159 PolarHBondContact O-N 2.91Å; E157-L159 PolarHBondContact O-N 2.71Å; L159-A161 VanDerWaalsContact C-N 3.3Å; L159-A161 PolarHBondContact O-N 2.93Å; L159-K162 CarbonylContact O-C 3.33Å; L159-K162 WeakPolarHBondContact O-CA 3.25Å; L159-K162 PolarHBondContact O-N 3.4Å; L159-K162 VanDerWaalsContact O-N 3.08Å; L159-N163 PolarHBondContact O-N 3.27Å; L159-A164 HydrophobicContact CB-CB 3.91Å; L159-A164 WeakPolarHBondContact O-CB 3.27Å; L159-A164 PolarHBondContact O-N 3.25Å
160L96.8Very high97.2Very high10 Ų1052.3 Ų52.35%0.05226%0.263CS..Hα-helixtrans-66.2-31.9177-68.7175000112.4L144 V156 E157 K162 N163 I166 L188 I189 K192L144-L160 HydrophobicContact CD1-CD2 4.5Å; L144-L160 HydrophobicContact CD1-CG 4.49Å; L144-L160 HydrophobicContact CD2-CD2 4.21Å; V156-L160 HydrophobicContact CG1-CD1 3.8Å; V156-L160 HydrophobicContact CG1-CG 4.32Å; V156-L160 WeakPolarHBondContact O-CB 3.42Å; V156-L160 WeakPolarHBondContact O-CG 3.49Å; V156-L160 PolarHBondContact O-N 3.19Å; E157-L160 PolarHBondContact O-N 2.83Å; L160-K162 PolarHBondContact O-N 3Å; L160-N163 PolarHBondContact O-N 3Å; L160-I166 HydrophobicContact CD2-CG2 3.46Å; L160-I166 VanDerWaalsContact CD2-CG2 3.46Å; L160-L188 HydrophobicContact CD1-CB 4.24Å; L160-I189 HydrophobicContact CD1-CG1 4.31Å; L160-K192 HydrophobicContact CB-CD 4.36Å; L160-K192 HydrophobicContact CD2-CB 4.47Å; L160-K192 HydrophobicContact CD2-CG 4.4Å; L160-K192 PolarHBondContact O-NZ 3.35Å
161A95.8Very high97.2Very high70 Ų7054.6 Ų54.658%0.57928%0.279SS*.Hα-helixtrans-66.9-28172.800000111.8E157 M158 L159 N163E157-A161 WeakPolarHBondContact O-CB 3.5Å; E157-A161 PolarHBondContact O-N 2.88Å; M158-A161 WeakPolarHBondContact O-CB 3.35Å; M158-A161 PolarHBondContact O-N 2.72Å; L159-A161 VanDerWaalsContact C-N 3.3Å; L159-A161 PolarHBondContact O-N 2.93Å; A161-N163 VanDerWaalsContact C-N 3.32Å
162K95.6Very high97.2Very high101 Ų10160 Ų6044%0.43930%0.301SS..THydrogen-bonded Turntrans-94.627.2173.5-69.8-76.1-179.8162.40113.8L126 V133 M158 L159 L160 A164L126-K162 HydrophobicContact CB-CG 4.09Å; L126-K162 HydrophobicContact CD1-CG 4.12Å; L126-K162 HydrophobicContact CD2-CB 4.11Å; L126-K162 HydrophobicContact CD2-CG 4.09Å; L126-K162 HydrophobicContact CG-CG 4.33Å; L126-K162 WeakPolarHBondContact O-CE 3.19Å; L126-K162 PolarHBondContact O-NZ 3.27Å; V133-K162 HydrophobicContact CG1-CB 4.49Å; M158-K162 PolarHBondContact O-N 2.93Å; M158-K162 VanDerWaalsContact O-N 3.12Å; L159-K162 CarbonylContact O-C 3.33Å; L159-K162 WeakPolarHBondContact O-CA 3.25Å; L159-K162 PolarHBondContact O-N 3.4Å; L159-K162 VanDerWaalsContact O-N 3.08Å; L160-K162 PolarHBondContact O-N 3Å; K162-A164 PolarHBondContact O-N 2.9Å
163N93.8Very high97.2Very high127 Ų12760.4 Ų60.468%0.67931%0.314SS*.THydrogen-bonded Turntrans57.131.1174.4-59.989.6000114.4L159 L160 A161 R165L159-N163 PolarHBondContact O-N 3.27Å; L160-N163 PolarHBondContact O-N 3Å; A161-N163 VanDerWaalsContact C-N 3.32Å; N163-R165 PolarHBondContact O-N 2.95Å
164A96.9Very high97.2Very high8 Ų862.5 Ų62.57%0.06632%0.319CS..  trans-55.9132.4169.300000110.5L144 L159 K162L144-A164 HydrophobicContact CD2-CB 4.39Å; L159-A164 HydrophobicContact CB-CB 3.91Å; L159-A164 WeakPolarHBondContact O-CB 3.27Å; L159-A164 PolarHBondContact O-N 3.25Å; K162-A164 PolarHBondContact O-N 2.9Å
165R96.9Very high97.2Very high126 Ų12661.2 Ų61.248%0.47531%0.311SS..  trans-72.7132-179-76.4-175.965177.25.6110.7N134 N163 D167 I168N134-R165 WeakPolarHBondContact OD1-CB 3.39Å; N134-R165 PolarHBondContact OD1-N 3.16Å; N163-R165 PolarHBondContact O-N 2.95Å; R165-D167 WeakPolarHBondContact CB-OD1 3.5Å; R165-D167 IonicContact CZ-OD1 3.92Å; R165-D167 IonicContact CZ-OD2 3.12Å; R165-D167 IonicContact NE-OD1 2.8Å; R165-D167 PolarHBondContact NE-OD1 3.24Å; R165-D167 IonicContact NE-OD2 2.83Å; R165-D167 IonicContact NH2-OD1 2.88Å; R165-D167 PolarHBondContact NH2-OD1 3.48Å; R165-D167 IonicContact NH2-OD2 2.71Å; R165-D167 PolarHBondContact NH2-OD2 2.79Å; R165-I168 HydrophobicContact CB-CD1 3.63Å; R165-I168 HydrophobicContact CB-CG1 3.85Å; R165-I168 HydrophobicContact CG-CD1 4.41Å
166I96.4Very high97.1Very high24 Ų2461.2 Ų61.212%0.12331%0.312CS..SBendtrans-100.7-8.5-177.966.3-166.9000112.7L144 L160 I189 K192 L193L144-I166 HydrophobicContact CD2-CG2 3.93Å; L160-I166 HydrophobicContact CD2-CG2 3.46Å; L160-I166 VanDerWaalsContact CD2-CG2 3.46Å; I166-I189 HydrophobicContact CB-CG2 4.09Å; I166-I189 HydrophobicContact CG2-CG2 3.98Å; I166-K192 HydrophobicContact CD1-CB 4.25Å; I166-L193 HydrophobicContact CB-CD1 4.43Å; I166-L193 HydrophobicContact CD1-CB 4.2Å; I166-L193 HydrophobicContact CD1-CD1 3.65Å; I166-L193 HydrophobicContact CD1-CG 3.53Å; I166-L193 HydrophobicContact CG1-CD1 4.08Å; I166-L193 HydrophobicContact CG1-CG 4.16Å
167D95.6Very high97Very high91 Ų9162.4 Ų62.449%0.48732%0.319SS..SBendtrans-97.9-1.2-175.666.3-36.9000113.4R165R165-D167 WeakPolarHBondContact CB-OD1 3.5Å; R165-D167 IonicContact CZ-OD1 3.92Å; R165-D167 IonicContact CZ-OD2 3.12Å; R165-D167 IonicContact NE-OD1 2.8Å; R165-D167 PolarHBondContact NE-OD1 3.24Å; R165-D167 IonicContact NE-OD2 2.83Å; R165-D167 IonicContact NH2-OD1 2.88Å; R165-D167 PolarHBondContact NH2-OD1 3.48Å; R165-D167 IonicContact NH2-OD2 2.71Å; R165-D167 PolarHBondContact NH2-OD2 2.79Å
168I97.4Very high97Very high17 Ų1763 Ų639%0.08732%0.322CS..  trans-77128.5177.3-63.1174.7000109.2N134 Q136 T142 H145 R165N134-I168 HydrophobicContact CB-CD1 3.86Å; Q136-I168 HydrophobicContact CG-CG2 3.78Å; T142-I168 HydrophobicContact CG2-CB 4.21Å; T142-I168 HydrophobicContact CG2-CD1 3.96Å; T142-I168 HydrophobicContact CG2-CG2 3.73Å; H145-I168 PolarHBondContact CE1-O 2.81Å; H145-I168 PolarHBondContact NE2-O 3.49Å; R165-I168 HydrophobicContact CB-CD1 3.63Å; R165-I168 HydrophobicContact CB-CG1 3.85Å; R165-I168 HydrophobicContact CG-CD1 4.41Å
169K98.1Very high96.9Very high118 Ų11863 Ų6351%0.51332%0.322SS..BIsolated β-bridgetrans-98.8140.1172.5-67.2-178.9176.6-172.10110.7Q136 K174 L175Q136-K169 PolarHBondContact NE2-O 2.97Å; K169-K174 WeakPolarHBondContact CA-O 3.45Å; K169-L175 HydrophobicContact CG-CD2 3.57Å; K169-L175 HydrophobicContact CG-CG 4.12Å
170N98.1Very high96.8Very high10 Ų1064.1 Ų64.15%0.05333%0.331CS..  trans-77.6-178.1168.175.75.2000111.9G140 D141 E172 C173 K174G140-N170 WeakPolarHBondContact O-CA 3.39Å; G140-N170 WeakPolarHBondContact O-CB 3.32Å; D141-N170 VanDerWaalsContact OD1-CB 3.27Å; D141-N170 WeakPolarHBondContact OD1-CB 3.34Å; D141-N170 PolarHBondContact OD1-ND2 2.89Å; N170-E172 PolarHBondContact O-N 2.95Å; N170-E172 WeakPolarHBondContact OD1-CA 3.22Å; N170-E172 WeakPolarHBondContact OD1-CB 3.34Å; N170-E172 PolarHBondContact OD1-N 2.93Å; N170-C173 WeakPolarHBondContact O-CA 3.45Å; N170-C173 PolarHBondContact O-N 2.93Å; N170-C173 PolarHBondContact OD1-N 3.14Å; N170-K174 PolarHBondContact N-O 2.93Å; N170-K174 WeakPolarHBondContact OD1-CB 3.44Å; N170-K174 PolarHBondContact OD1-N 2.92Å; N170-K174 PolarHBondContact OD1-O 3.17Å
171N98.3Very high96.8Very high116 Ų11667.9 Ų67.962%0.6235%0.354SS*.THydrogen-bonded Turntrans-68-15.2-177.1-66.7-5.6000113.6K138 L139K138-N171 PolarHBondContact O-ND2 3.35Å; L139-N171 VanDerWaalsContact O-CB 3.27Å; L139-N171 WeakPolarHBondContact O-CB 3.41Å; L139-N171 PolarHBondContact O-N 3.46Å
172E97.7Very high96.7Very high127 Ų12767.3 Ų67.359%0.59334%0.342SS*.THydrogen-bonded Turntrans-87.811.6171.2-59-175.5178.200112.3N170 K174N170-E172 PolarHBondContact O-N 2.95Å; N170-E172 WeakPolarHBondContact OD1-CA 3.22Å; N170-E172 WeakPolarHBondContact OD1-CB 3.34Å; N170-E172 PolarHBondContact OD1-N 2.93Å; E172-K174 HydrophobicContact CB-CD 4.2Å; E172-K174 HydrophobicContact CB-CG 4.18Å; E172-K174 PolarHBondContact O-N 3.48Å; E172-K174 WeakPolarHBondContact OE2-CE 3.37Å; E172-K174 IonicContact OE2-NZ 3.67Å; E172-K174 PolarHBondContact OE2-NZ 2.85Å
173C96.9Very high96.7Very high88 Ų8866.5 Ų66.560%0.59535%0.353SS*.SBendtrans61.218.1-173.7-66.60000114.4N170N170-C173 WeakPolarHBondContact O-CA 3.45Å; N170-C173 PolarHBondContact O-N 2.93Å; N170-C173 PolarHBondContact OD1-N 3.14Å
174K97.8Very high96.8Very high80 Ų8065.6 Ų65.635%0.34835%0.345SS..  trans-92.1137.1-178.4-65.1176.1-177.3162.10111.6H145 K169 N170 E172 E178 M179H145-K174 PolarHBondContact NE2-O 2.92Å; H145-K174 VanDerWaalsContact NE2-O 3.13Å; K169-K174 WeakPolarHBondContact CA-O 3.45Å; N170-K174 PolarHBondContact N-O 2.93Å; N170-K174 WeakPolarHBondContact OD1-CB 3.44Å; N170-K174 PolarHBondContact OD1-N 2.92Å; N170-K174 PolarHBondContact OD1-O 3.17Å; E172-K174 HydrophobicContact CB-CD 4.2Å; E172-K174 HydrophobicContact CB-CG 4.18Å; E172-K174 PolarHBondContact O-N 3.48Å; E172-K174 WeakPolarHBondContact OE2-CE 3.37Å; E172-K174 IonicContact OE2-NZ 3.67Å; E172-K174 PolarHBondContact OE2-NZ 2.85Å; K174-E178 WeakPolarHBondContact CA-OE2 3.24Å; K174-E178 HydrophobicContact CB-CB 4.42Å; K174-M179 HydrophobicContact CB-CG 4.37Å; K174-M179 HydrophobicContact CB-SD 4.07Å; K174-M179 HydrophobicContact CD-SD 3.57Å; K174-M179 VanDerWaalsContact CD-SD 3.57Å; K174-M179 HydrophobicContact CG-SD 4.48Å
175L97.6Very high96.7Very high33 Ų3365.2 Ų65.217%0.17334%0.342CS..BIsolated β-bridgetrans-81.2160.3168.6-64.4170.7000110.7K169 V177 E178 M179K169-L175 HydrophobicContact CG-CD2 3.57Å; K169-L175 HydrophobicContact CG-CG 4.12Å; L175-V177 HydrophobicContact CB-CG1 3.99Å; L175-V177 HydrophobicContact CD1-CG1 4.41Å; L175-V177 PolarHBondContact O-N 2.84Å; L175-V177 VanDerWaalsContact O-N 3.15Å; L175-E178 HydrophobicContact CB-CG 4.31Å; L175-E178 PolarHBondContact N-OE2 2.86Å; L175-E178 WeakPolarHBondContact O-CB 3.41Å; L175-E178 PolarHBondContact O-N 3.17Å; L175-M179 PolarHBondContact O-N 2.94Å
176A96.8Very high96.7Very high1 Ų160.1 Ų60.11%0.00833%0.327CS..THydrogen-bonded Turntrans-57.1-33.417600000113.4L144 H145 A148 E178 M179 A180 I189L144-A176 HydrophobicContact CB-CB 4.29Å; L144-A176 HydrophobicContact CD2-CB 3.91Å; L144-A176 HydrophobicContact CG-CB 3.74Å; H145-A176 PolarHBondContact NE2-N 2.99Å; A148-A176 WeakPolarHBondContact CB-O 3.24Å; A176-E178 VanDerWaalsContact C-N 3.32Å; A176-E178 PolarHBondContact O-N 3.2Å; A176-M179 PolarHBondContact O-N 2.88Å; A176-A180 PolarHBondContact O-N 2.81Å; A176-I189 HydrophobicContact CB-CD1 4.33Å
177V97Very high96.6Very high25 Ų2561.6 Ų61.615%0.15234%0.339CS..THydrogen-bonded Turntrans-66-32.9175.666.50000112.8L175 M179 A180 A186 I189 K190L175-V177 HydrophobicContact CB-CG1 3.99Å; L175-V177 HydrophobicContact CD1-CG1 4.41Å; L175-V177 PolarHBondContact O-N 2.84Å; L175-V177 VanDerWaalsContact O-N 3.15Å; V177-M179 VanDerWaalsContact C-N 3.28Å; V177-A180 VanDerWaalsContact O-CB 3.25Å; V177-A180 WeakPolarHBondContact O-CB 3.16Å; V177-A180 PolarHBondContact O-N 3.49Å; V177-A186 HydrophobicContact CG2-CB 4.46Å; V177-I189 HydrophobicContact CB-CB 4.23Å; V177-I189 HydrophobicContact CB-CG2 3.8Å; V177-I189 HydrophobicContact CG2-CB 4.37Å; V177-I189 HydrophobicContact CG2-CG2 4.37Å; V177-K190 HydrophobicContact CG2-CD 4.35Å; V177-K190 HydrophobicContact CG2-CG 3.78Å
178E96.9Very high96.6Very high119 Ų11957.7 Ų57.756%0.55632%0.318SS*.THydrogen-bonded Turntrans-78.1-20.5179.7-62.7170155.300111.4K174 L175 A176 A180K174-E178 WeakPolarHBondContact CA-OE2 3.24Å; K174-E178 HydrophobicContact CB-CB 4.42Å; L175-E178 HydrophobicContact CB-CG 4.31Å; L175-E178 PolarHBondContact N-OE2 2.86Å; L175-E178 WeakPolarHBondContact O-CB 3.41Å; L175-E178 PolarHBondContact O-N 3.17Å; A176-E178 VanDerWaalsContact C-N 3.32Å; A176-E178 PolarHBondContact O-N 3.2Å; E178-A180 VanDerWaalsContact C-N 3.34Å
179M96.5Very high96.5Very high33 Ų3356.9 Ų56.916%0.16331%0.314CS..THydrogen-bonded Turntrans-81-14170.5-62.4-60.3-72.500112.8W149 K174 L175 A176 V177 T181W149-M179 VanDerWaalsContact CA-O 3.24Å; W149-M179 WeakPolarHBondContact CA-O 3.1Å; W149-M179 HydrophobicContact CB-CB 4.26Å; W149-M179 HydrophobicContact CB-CE 4.34Å; W149-M179 HydrophobicContact CG-CE 4.18Å; K174-M179 HydrophobicContact CB-CG 4.37Å; K174-M179 HydrophobicContact CB-SD 4.07Å; K174-M179 HydrophobicContact CD-SD 3.57Å; K174-M179 VanDerWaalsContact CD-SD 3.57Å; K174-M179 HydrophobicContact CG-SD 4.48Å; L175-M179 PolarHBondContact O-N 2.94Å; A176-M179 PolarHBondContact O-N 2.88Å; V177-M179 VanDerWaalsContact C-N 3.28Å; M179-T181 PolarHBondContact O-N 3.34Å
180A96.7Very high96.2Very high22 Ų2257.5 Ų57.518%0.18232%0.317CS..  trans-62.2118.7-173.100000112.4A148 A176 V177 E178 C185 A186A148-A180 HydrophobicContact CB-CB 4.32Å; A148-A180 WeakPolarHBondContact O-CA 3.49Å; A176-A180 PolarHBondContact O-N 2.81Å; V177-A180 VanDerWaalsContact O-CB 3.25Å; V177-A180 WeakPolarHBondContact O-CB 3.16Å; V177-A180 PolarHBondContact O-N 3.49Å; E178-A180 VanDerWaalsContact C-N 3.34Å; A180-C185 HydrophobicContact CB-CB 4Å; A180-A186 HydrophobicContact CB-CB 3.89Å
181T95.3Very high95.6Very high90 Ų9064.7 Ų64.755%0.55234%0.343SS*.  trans-84.1-14.8-17946.40000114.1A148 W149 G151 M179A148-T181 PolarHBondContact O-N 3.28Å; W149-T181 WeakPolarHBondContact O-CB 3.27Å; W149-T181 WeakPolarHBondContact O-CG2 3.15Å; W149-T181 PolarHBondContact O-OG1 2.81Å; G151-T181 PolarHBondContact N-OG1 3.14Å; M179-T181 PolarHBondContact O-N 3.34Å
182N95.1Very high94.5Very high58 Ų5862.9 Ų62.931%0.3133%0.33SS..SBendtrans-130.7157.9174.670.750.4000112.8G151 Q184 C185 A186G151-N182 WeakPolarHBondContact CA-ND2 3.46Å; G151-N182 PolarHBondContact O-ND2 2.91Å; N182-Q184 PolarHBondContact O-N 2.85Å; N182-Q184 PolarHBondContact OD1-N 2.85Å; N182-Q184 VanDerWaalsContact OD1-N 3.17Å; N182-C185 PolarHBondContact O-N 3.46Å; N182-C185 PolarHBondContact OD1-N 3.1Å; N182-C185 PolarHBondContact OD1-SG 2.7Å; N182-A186 PolarHBondContact O-N 3.18Å
183A94.4Very high92.8Very high83 Ų8360.3 Ų60.369%0.68632%0.32SS*.Hα-helixtrans-63.6-29.8-176.500000113A186 S187A183-A186 PolarHBondContact O-N 3.44Å; A183-S187 VanDerWaalsContact O-CB 3.28Å; A183-S187 WeakPolarHBondContact O-CB 3.38Å; A183-S187 PolarHBondContact O-N 3.14Å; A183-S187 PolarHBondContact O-OG 3.25Å
184Q96Very high91Very high109 Ų10958 Ų5851%0.50931%0.311SS..Hα-helixtrans-69.1-47.5-179.3-170.16711.200111.5N182 A186 S187 L188N182-Q184 PolarHBondContact O-N 2.85Å; N182-Q184 PolarHBondContact OD1-N 2.85Å; N182-Q184 VanDerWaalsContact OD1-N 3.17Å; Q184-A186 VanDerWaalsContact C-N 3.33Å; Q184-A186 PolarHBondContact O-N 2.8Å; Q184-S187 PolarHBondContact O-N 2.85Å; Q184-S187 PolarHBondContact O-OG 3.11Å; Q184-L188 HydrophobicContact CG-CD1 4.48Å; Q184-L188 VanDerWaalsContact O-CG 3.27Å; Q184-L188 WeakPolarHBondContact O-CG 3.41Å; Q184-L188 PolarHBondContact O-N 3.09Å
185C95.6Very high89Confident0 Ų057 Ų570%031%0.311CS..Hα-helixtrans-59.3-45.9173.5-71.50000111.1S153 V156 A180 N182 S187 L188 I189S153-C185 WeakPolarHBondContact CA-SG 3.36Å; S153-C185 PolarHBondContact N-SG 2.77Å; S153-C185 VanDerWaalsContact N-SG 3.44Å; V156-C185 HydrophobicContact CG2-CB 4.36Å; A180-C185 HydrophobicContact CB-CB 4Å; N182-C185 PolarHBondContact O-N 3.46Å; N182-C185 PolarHBondContact OD1-N 3.1Å; N182-C185 PolarHBondContact OD1-SG 2.7Å; C185-S187 PolarHBondContact O-N 3.01Å; C185-L188 PolarHBondContact O-N 2.96Å; C185-I189 WeakPolarHBondContact O-CG1 3.36Å; C185-I189 PolarHBondContact O-N 2.76Å; C185-I189 VanDerWaalsContact O-N 3.15Å
186A96Very high86.8Confident18 Ų1859.4 Ų59.415%0.14933%0.327CS..Hα-helixtrans-61.7-43.1179.700000111.9V177 A180 N182 A183 Q184 K190V177-A186 HydrophobicContact CG2-CB 4.46Å; A180-A186 HydrophobicContact CB-CB 3.89Å; N182-A186 PolarHBondContact O-N 3.18Å; A183-A186 PolarHBondContact O-N 3.44Å; Q184-A186 VanDerWaalsContact C-N 3.33Å; Q184-A186 PolarHBondContact O-N 2.8Å; A186-K190 WeakPolarHBondContact O-CB 3.34Å; A186-K190 VanDerWaalsContact O-CG 3.23Å; A186-K190 WeakPolarHBondContact O-CG 3.44Å; A186-K190 PolarHBondContact O-N 2.93Å
187S95.6Very high84.6Confident55 Ų5564 Ų6439%0.38535%0.351SS..Hα-helixtrans-66.5-41.618074.70000111.9A183 Q184 C185 I189 K190 R191A183-S187 VanDerWaalsContact O-CB 3.28Å; A183-S187 WeakPolarHBondContact O-CB 3.38Å; A183-S187 PolarHBondContact O-N 3.14Å; A183-S187 PolarHBondContact O-OG 3.25Å; Q184-S187 PolarHBondContact O-N 2.85Å; Q184-S187 PolarHBondContact O-OG 3.11Å; C185-S187 PolarHBondContact O-N 3.01Å; S187-I189 PolarHBondContact O-N 3Å; S187-K190 PolarHBondContact O-N 2.99Å; S187-R191 VanDerWaalsContact O-CB 3.28Å; S187-R191 WeakPolarHBondContact O-CB 3.36Å; S187-R191 PolarHBondContact O-N 2.87Å
188L95.4Very high82.2Confident9 Ų967.2 Ų67.25%0.04737%0.371CS..Hα-helixtrans-59.4-47.1177.1-73.5173.5000111.9S153 V156 E157 L160 Q184 C185 K192S153-L188 WeakPolarHBondContact O-CD1 2.99Å; V156-L188 HydrophobicContact CG1-CB 4.05Å; V156-L188 HydrophobicContact CG1-CD1 4.25Å; E157-L188 HydrophobicContact CB-CD1 4.3Å; L160-L188 HydrophobicContact CD1-CB 4.24Å; Q184-L188 HydrophobicContact CG-CD1 4.48Å; Q184-L188 VanDerWaalsContact O-CG 3.27Å; Q184-L188 WeakPolarHBondContact O-CG 3.41Å; Q184-L188 PolarHBondContact O-N 3.09Å; C185-L188 PolarHBondContact O-N 2.96Å; L188-K192 PolarHBondContact O-N 3.34Å
189I94.2Very high79.9Confident0 Ų070.4 Ų70.40%038%0.378CS..Hα-helixtrans-67.2-46.6-179.8-60.7166.6000110A148 V156 L160 I166 A176 V177 C185 S187 R191 K192 L193A148-I189 HydrophobicContact CB-CD1 3.92Å; V156-I189 HydrophobicContact CG1-CD1 4.17Å; V156-I189 HydrophobicContact CG1-CG1 3.74Å; L160-I189 HydrophobicContact CD1-CG1 4.31Å; I166-I189 HydrophobicContact CB-CG2 4.09Å; I166-I189 HydrophobicContact CG2-CG2 3.98Å; A176-I189 HydrophobicContact CB-CD1 4.33Å; V177-I189 HydrophobicContact CB-CB 4.23Å; V177-I189 HydrophobicContact CB-CG2 3.8Å; V177-I189 HydrophobicContact CG2-CB 4.37Å; V177-I189 HydrophobicContact CG2-CG2 4.37Å; C185-I189 WeakPolarHBondContact O-CG1 3.36Å; C185-I189 PolarHBondContact O-N 2.76Å; C185-I189 VanDerWaalsContact O-N 3.15Å; S187-I189 PolarHBondContact O-N 3Å; I189-R191 PolarHBondContact O-N 2.58Å; I189-K192 WeakPolarHBondContact O-CB 3.46Å; I189-K192 PolarHBondContact O-N 3.48Å; I189-L193 HydrophobicContact CG2-CD1 4.18Å; I189-L193 WeakPolarHBondContact O-CD1 3.46Å; I189-L193 PolarHBondContact O-N 2.84Å
190K91.8Very high77.5Confident132 Ų13273.5 Ų73.557%0.57440%0.398SS*.Hα-helixtrans-61.2-39.5178-73.2176.4-177.7-179.10113.2V177 A186 S187 K192 L193 G194V177-K190 HydrophobicContact CG2-CD 4.35Å; V177-K190 HydrophobicContact CG2-CG 3.78Å; A186-K190 WeakPolarHBondContact O-CB 3.34Å; A186-K190 VanDerWaalsContact O-CG 3.23Å; A186-K190 WeakPolarHBondContact O-CG 3.44Å; A186-K190 PolarHBondContact O-N 2.93Å; S187-K190 PolarHBondContact O-N 2.99Å; K190-K192 VanDerWaalsContact C-N 3.25Å; K190-K192 PolarHBondContact O-N 3.48Å; K190-L193 WeakPolarHBondContact O-CB 3.49Å; K190-L193 PolarHBondContact O-N 2.67Å; K190-L193 VanDerWaalsContact O-N 3.14Å; K190-G194 PolarHBondContact O-N 3.06Å; K190-G194 VanDerWaalsContact O-N 3.1Å
191R86.4Confident75.1Confident161 Ų16179.4 Ų79.461%0.60842%0.422SS*.Hα-helixtrans-60-39.4178.1-176169.962.4-177.93.7111.1S187 I189 G194 T195S187-R191 VanDerWaalsContact O-CB 3.28Å; S187-R191 WeakPolarHBondContact O-CB 3.36Å; S187-R191 PolarHBondContact O-N 2.87Å; I189-R191 PolarHBondContact O-N 2.58Å; R191-G194 PolarHBondContact O-N 2.81Å; R191-T195 PolarHBondContact O-N 2.82Å; R191-T195 PolarHBondContact O-OG1 3.34Å; R191-T195 VanDerWaalsContact O-OG1 3.09Å
192K75.1Confident72.9Confident78 Ų7879.7 Ų79.734%0.33943%0.427SS..Hα-helixtrans-65.7-39.8176.2-154.693.9177.6-162.50111.8L160 I166 L188 I189 K190 G194 T195 T196L160-K192 HydrophobicContact CB-CD 4.36Å; L160-K192 HydrophobicContact CD2-CB 4.47Å; L160-K192 HydrophobicContact CD2-CG 4.4Å; L160-K192 PolarHBondContact O-NZ 3.35Å; I166-K192 HydrophobicContact CD1-CB 4.25Å; L188-K192 PolarHBondContact O-N 3.34Å; I189-K192 WeakPolarHBondContact O-CB 3.46Å; I189-K192 PolarHBondContact O-N 3.48Å; K190-K192 VanDerWaalsContact C-N 3.25Å; K190-K192 PolarHBondContact O-N 3.48Å; K192-G194 VanDerWaalsContact C-N 3.33Å; K192-G194 PolarHBondContact O-N 3.35Å; K192-T195 WeakPolarHBondContact CA-OG1 3.43Å; K192-T195 PolarHBondContact O-N 2.82Å; K192-T195 PolarHBondContact O-OG1 3.18Å; K192-T196 PolarHBondContact O-N 3.23Å; K192-T196 PolarHBondContact O-OG1 3.04Å
193L62.7Low70.5Confident73 Ų7384 Ų8438%0.38245%0.451SS..Hα-helixtrans-55.4-46.3172.1-90.2108.9000111.7I166 I189 K190 T196I166-L193 HydrophobicContact CB-CD1 4.43Å; I166-L193 HydrophobicContact CD1-CB 4.2Å; I166-L193 HydrophobicContact CD1-CD1 3.65Å; I166-L193 HydrophobicContact CD1-CG 3.53Å; I166-L193 HydrophobicContact CG1-CD1 4.08Å; I166-L193 HydrophobicContact CG1-CG 4.16Å; I189-L193 HydrophobicContact CG2-CD1 4.18Å; I189-L193 WeakPolarHBondContact O-CD1 3.46Å; I189-L193 PolarHBondContact O-N 2.84Å; K190-L193 WeakPolarHBondContact O-CB 3.49Å; K190-L193 PolarHBondContact O-N 2.67Å; K190-L193 VanDerWaalsContact O-N 3.14Å; L193-T196 PolarHBondContact O-N 3.29Å
194G57.1Low68.2Low39 Ų3983.9 Ų83.940%0.40245%0.449SS..Hα-helixtrans-62.9-42.3179.800000113.6K190 R191 K192 T196 I197 T198K190-G194 PolarHBondContact O-N 3.06Å; K190-G194 VanDerWaalsContact O-N 3.1Å; R191-G194 PolarHBondContact O-N 2.81Å; K192-G194 VanDerWaalsContact C-N 3.33Å; K192-G194 PolarHBondContact O-N 3.35Å; G194-T196 VanDerWaalsContact C-N 3.28Å; G194-T196 PolarHBondContact O-N 2.99Å; G194-I197 PolarHBondContact O-N 2.77Å; G194-T198 PolarHBondContact O-N 3.32Å; G194-T198 PolarHBondContact O-OG1 3.28Å
195T57.6Low65.9Low59 Ų5987.9 Ų87.936%0.36247%0.468SS..Hα-helixtrans-64.2-27.5177.326.30000114.5R191 K192 T198R191-T195 PolarHBondContact O-N 2.82Å; R191-T195 PolarHBondContact O-OG1 3.34Å; R191-T195 VanDerWaalsContact O-OG1 3.09Å; K192-T195 WeakPolarHBondContact CA-OG1 3.43Å; K192-T195 PolarHBondContact O-N 2.82Å; K192-T195 PolarHBondContact O-OG1 3.18Å; T195-T198 WeakPolarHBondContact CA-OG1 3.42Å; T195-T198 PolarHBondContact O-OG1 3.34Å; T195-T198 VanDerWaalsContact O-OG1 3.11Å
196T50.7Low63.5Low83 Ų8396.5 Ų96.551%0.50951%0.508SS..Hα-helixtrans-71.4-38.1177.3-56.90000111K192 L193 G194 R199 T200K192-T196 PolarHBondContact O-N 3.23Å; K192-T196 PolarHBondContact O-OG1 3.04Å; L193-T196 PolarHBondContact O-N 3.29Å; G194-T196 VanDerWaalsContact C-N 3.28Å; G194-T196 PolarHBondContact O-N 2.99Å; T196-R199 PolarHBondContact O-N 3.02Å; T196-T200 PolarHBondContact O-OG1 2.85Å
197I49.9Very low61.3Low98 Ų98107 Ų10750%0.50355%0.546SS..Hα-helixtrans-70.5-39.5179.5-64.8163000111.4G194 R199 T200 H201G194-I197 PolarHBondContact O-N 2.77Å; I197-R199 VanDerWaalsContact C-N 3.31Å; I197-R199 PolarHBondContact O-N 3.31Å; I197-T200 PolarHBondContact O-N 2.89Å; I197-T200 PolarHBondContact O-OG1 3.26Å; I197-H201 PolarHBondContact O-CD2 2.79Å; I197-H201 VanDerWaalsContact O-CD2 3.32Å; I197-H201 PolarHBondContact O-N 3.33Å
198T46.4Very low59Low93 Ų93112 Ų11257%0.57157%0.567SS**Hα-helixtrans-65.7-29.9177.535.60000113.8G194 T195G194-T198 PolarHBondContact O-N 3.32Å; G194-T198 PolarHBondContact O-OG1 3.28Å; T195-T198 WeakPolarHBondContact CA-OG1 3.42Å; T195-T198 PolarHBondContact O-OG1 3.34Å; T195-T198 VanDerWaalsContact O-OG1 3.11Å
199R49.6Very low56.7Low186 Ų186118 Ų11870%0.70260%0.6SS**Hα-helixtrans-75.6-25.9177-79.1-170.8175.697.6-1.8113.4T196 I197 S202T196-R199 PolarHBondContact O-N 3.02Å; I197-R199 VanDerWaalsContact C-N 3.31Å; I197-R199 PolarHBondContact O-N 3.31Å; R199-S202 PolarHBondContact O-OG 2.77Å
200T45.9Very low54.7Low97 Ų97126.3 Ų126.360%0.59564%0.644SS**Hα-helixtrans-81.1-25.7177.345.60000112.8T196 I197T196-T200 PolarHBondContact O-OG1 2.85Å; I197-T200 PolarHBondContact O-N 2.89Å; I197-T200 PolarHBondContact O-OG1 3.26Å
201H46.4Very low52.8Low147 Ų147128.5 Ų128.568%0.68166%0.656SS**Hα-helixtrans-81.9-21.3177.1-80.6-72000114.3I197 N203I197-H201 PolarHBondContact O-CD2 2.79Å; I197-H201 VanDerWaalsContact O-CD2 3.32Å; I197-H201 PolarHBondContact O-N 3.33Å; H201-N203 PolarHBondContact O-N 3.04Å
202S49Very low51.1Low95 Ų95129 Ų12966%0.66467%0.671SS**THydrogen-bonded Turntrans-80.58.6-178.664.20000114.8R199R199-S202 PolarHBondContact O-OG 2.77Å
203N44.7Very low50.6Low149 Ų149130.3 Ų130.380%0.79769%0.69SS**THydrogen-bonded Turntrans-126.717.4-172.8-138.981000113.5H201H201-N203 PolarHBondContact O-N 3.04Å
204A46.9Very low50.3Low80 Ų80138.2 Ų138.266%0.66173%0.733SS**SBendtrans-127.96.9-171.400000116
205E46.6Very low50Low194 Ų194143.2 Ų143.291%0.90775%0.749SS**  trans-134.986.3175.8-73.8-168.9170.200111.5
206E46.1Very low49.6Very low180 Ų180147.6 Ų147.684%0.84177%0.77SS**  trans-157.964.8153.6-150.4173.8-145.200110.3
207Y48.6Very low49.5Very low240 Ų240151.2 Ų151.294%0.94178%0.784SS**  trans-155.478.8158.9-77.3-71000108.1
208L48Very low49.5Very low158 Ų158154.3 Ų154.383%0.82780%0.801SS**  trans-122.8120.4160.9-79.5172.9000108.2
209D47.8Very low49.7Very low137 Ų137158.1 Ų158.173%0.73382%0.815SS**  trans49.896147.5-60.4-15.7000118.7
210D50.6Low49.7Very low174 Ų174156.3 Ų156.393%0.9382%0.822SS**  trans-87.2109.2141.5-76.7-37.6000107.8
211E52.9Low49.9Very low177 Ų177160.5 Ų160.583%0.82784%0.839SS**  trans-56.9143.8178-67.6179.2144.200113.3S213E211-S213 PolarHBondContact O-N 2.65Å
212D51.3Low50.2Low173 Ų173161.5 Ų161.593%0.92585%0.851SS**  trans-51.5126.3157-77.8-45.7000110.7
213S63.3Low50.3Low105 Ų105167.1 Ų167.173%0.73487%0.866SS**  trans-147.2108.8165.8165.70000110.1E211E211-S213 PolarHBondContact O-N 2.65Å
214D57.1Low50.8Low238 Ų238168.7 Ų168.7100%1.27387%0.873SS**  trans79.40169.3-69.5-15.5000119.9

Retrieved 214 of 214 residues in 193.4 ms (Link to these results)

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