A0A077ZGI6_TRITR Loading...

Zinc finger Ran-binding domain-containing protein 2

AlphaFold DB , UniProt , Accession A0A077ZGI6, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 200 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
1M60.9Low74.7Confident89 Ų8989.8 Ų89.844%0.43846%0.464SS..  0121.80-168.2-132.8-98.600108.1N10 K24M1-N10 PolarHBondContact N-O 3.11Å; M1-N10 PolarHBondContact O-N 2.72Å; M1-K24 HydrophobicContact CE-CB 3.64Å; M1-K24 HydrophobicContact CE-CD 3.53Å; M1-K24 HydrophobicContact CE-CG 3.37Å; M1-K24 HydrophobicContact SD-CG 4.17Å
2L69.5Low74.4Confident101 Ų10188.4 Ų88.453%0.52949%0.488SS..BIsolated β-bridgetrans-80121.2177.8-174.6125.2000109.2Q4 V9L2-Q4 HydrophobicContact CD2-CG 4.47Å; L2-Q4 PolarHBondContact O-N 2.91Å; L2-V9 HydrophobicContact CD1-CG2 4.41Å
3V71.9Confident74.3Confident25 Ų2588.8 Ų88.815%0.15250%0.501CS..  trans-82.5107.4174.7-179.30000107.9Q5 C6 Q7 Q8 C17V3-Q5 PolarHBondContact O-N 3.33Å; V3-C6 VanDerWaalsContact CB-SG 3.55Å; V3-C6 VanDerWaalsContact CG1-SG 3.55Å; V3-C6 PolarHBondContact O-N 2.73Å; V3-Q7 VanDerWaalsContact O-CA 3.31Å; V3-Q7 WeakPolarHBondContact O-CA 3Å; V3-Q7 PolarHBondContact O-N 2.89Å; V3-Q8 PolarHBondContact N-O 2.96Å; V3-Q8 VanDerWaalsContact N-O 3.1Å; V3-C17 HydrophobicContact CG2-CB 4.04Å
4Q72.9Confident73.7Confident175 Ų17585.3 Ų85.382%0.81848%0.48SS*.THydrogen-bonded Turntrans-54.8-27.8-171.4-68.9-179.3-13.900114.4L2L2-Q4 HydrophobicContact CD2-CG 4.47Å; L2-Q4 PolarHBondContact O-N 2.91Å
5Q76.2Confident73.6Confident149 Ų14985.7 Ų85.770%0.69649%0.491SS*.THydrogen-bonded Turntrans-80.7-42-179.4-161.273.820.100114.4V3 R22V3-Q5 PolarHBondContact O-N 3.33Å; Q5-R22 VanDerWaalsContact CG-NH1 3.27Å
6C80.4Confident74Confident37 Ų3783.9 Ų83.925%0.2549%0.485CS..THydrogen-bonded Turntrans-106.30.8-176.664.20000113V3 Q8 C17 F19 C20V3-C6 VanDerWaalsContact CB-SG 3.55Å; V3-C6 VanDerWaalsContact CG1-SG 3.55Å; V3-C6 PolarHBondContact O-N 2.73Å; C6-Q8 PolarHBondContact O-N 3.44Å; C6-C17 PolarHBondContact SG-SG 3.35Å; C6-F19 HydrophobicContact CB-CD1 4.19Å; C6-C20 HydrophobicContact CB-CB 4.15Å; C6-C20 PolarHBondContact SG-SG 3.48Å
7Q78.5Confident74.4Confident154 Ų15479.2 Ų79.272%0.7246%0.458SS*.  trans52.114.8-178-57.9-176.123.500114.8V3V3-Q7 VanDerWaalsContact O-CA 3.31Å; V3-Q7 WeakPolarHBondContact O-CA 3Å; V3-Q7 PolarHBondContact O-N 2.89Å
8Q80.6Confident74.7Confident83 Ų8382.7 Ų82.739%0.38847%0.469SS..  trans-75.8130176.5-173.462.131.600109.9V3 C6 N10 F19V3-Q8 PolarHBondContact N-O 2.96Å; V3-Q8 VanDerWaalsContact N-O 3.1Å; C6-Q8 PolarHBondContact O-N 3.44Å; Q8-N10 PolarHBondContact O-N 3.41Å; Q8-F19 HydrophobicContact CB-CB 4.47Å; Q8-F19 HydrophobicContact CG-CB 4.46Å
9V80.1Confident74.9Confident101 Ų10187 Ų8761%0.61248%0.482SS*.BIsolated β-bridgetrans-80.8114.3169.3-176.60000107.8L2L2-V9 HydrophobicContact CD1-CG2 4.41Å
10N72.2Confident75.4Confident7 Ų785.1 Ų85.14%0.03748%0.475CS..  trans-107155.5178-159.48.1000111.3M1 Q8 N14 C16M1-N10 PolarHBondContact N-O 3.11Å; M1-N10 PolarHBondContact O-N 2.72Å; Q8-N10 PolarHBondContact O-N 3.41Å; N10-N14 VanDerWaalsContact ND2-CB 3.31Å; N10-N14 WeakPolarHBondContact ND2-CB 3.28Å; N10-N14 WeakPolarHBondContact OD1-CB 3.26Å; N10-N14 PolarHBondContact OD1-ND2 3.26Å; N10-C16 PolarHBondContact ND2-O 3.08Å
11S78.2Confident75.5Confident67 Ų6783.5 Ų83.547%0.46948%0.478SS..  trans-59.1146.2175.8-66.70000111.9S13 N14 K24S11-S13 PolarHBondContact O-N 2.71Å; S11-S13 VanDerWaalsContact O-N 3.09Å; S11-N14 PolarHBondContact O-N 2.96Å; S11-K24 PolarHBondContact O-NZ 3.43Å
12G71.6Confident76.2Confident73 Ų7386.3 Ų86.375%0.75348%0.483SS*.THydrogen-bonded Turntrans-56.5-24.617800000113.7K24G12-K24 PolarHBondContact O-NZ 2.92Å
13S73.4Confident76.5Confident93 Ų9386 Ų8665%0.6549%0.489SS*.THydrogen-bonded Turntrans-84.7-27.1179.451.70000115.8S11 S15S11-S13 PolarHBondContact O-N 2.71Å; S11-S13 VanDerWaalsContact O-N 3.09Å; S13-S15 PolarHBondContact O-N 3.19Å
14N65.9Low76.4Confident40 Ų4086.9 Ų86.921%0.21449%0.491CS..  trans-72.2114-167.6-71.5-0.3000112.2N10 S11 C16 E18 K24N10-N14 VanDerWaalsContact ND2-CB 3.31Å; N10-N14 WeakPolarHBondContact ND2-CB 3.28Å; N10-N14 WeakPolarHBondContact OD1-CB 3.26Å; N10-N14 PolarHBondContact OD1-ND2 3.26Å; S11-N14 PolarHBondContact O-N 2.96Å; N14-C16 PolarHBondContact O-N 3.15Å; N14-E18 PolarHBondContact ND2-OE1 2.72Å; N14-K24 WeakPolarHBondContact O-CD 3.48Å; N14-K24 WeakPolarHBondContact O-CE 3.28Å; N14-K24 WeakPolarHBondContact O-CG 3.47Å; N14-K24 PolarHBondContact O-NZ 3.27Å
15S72.4Confident76.3Confident91 Ų9183.8 Ų83.864%0.63649%0.486SS*.SBendtrans-66.9-18-176.855.30000113.8S13 S23 K24S13-S15 PolarHBondContact O-N 3.19Å; S15-S23 CarbonylContact O-C 3.58Å; S15-S23 VanDerWaalsContact O-CA 3.31Å; S15-S23 WeakPolarHBondContact O-CA 3.2Å; S15-K24 PolarHBondContact O-N 3.06Å
16C80Confident75.7Confident58 Ų5886.6 Ų86.639%0.39249%0.491SS..BIsolated β-bridgetrans-130.3150.7177.555.20000111.4N10 N14 R22N10-C16 PolarHBondContact ND2-O 3.08Å; N14-C16 PolarHBondContact O-N 3.15Å; C16-R22 CarbonylContact C-O 3.51Å; C16-R22 WeakPolarHBondContact CA-O 3.31Å
17C80.4Confident74.7Confident4 Ų488.3 Ų88.33%0.02751%0.514CS..  trans-64.2123.5169.8174.20000110.7V3 C6 F19 C20 G21 R22V3-C17 HydrophobicContact CG2-CB 4.04Å; C6-C17 PolarHBondContact SG-SG 3.35Å; C17-F19 VanDerWaalsContact C-N 3.29Å; C17-F19 PolarHBondContact O-N 2.86Å; C17-C20 HydrophobicContact CB-CB 4.28Å; C17-C20 WeakPolarHBondContact CB-SG 3.46Å; C17-C20 WeakPolarHBondContact SG-CB 3.4Å; C17-C20 PolarHBondContact SG-N 3.21Å; C17-C20 CovalentContact SG-SG 2.07Å; C17-C20 PolarHBondContact SG-SG 2.96Å; C17-G21 VanDerWaalsContact O-CA 3.26Å; C17-G21 WeakPolarHBondContact O-CA 2.96Å; C17-G21 PolarHBondContact O-N 3.5Å; C17-R22 HydrophobicContact CB-CB 4.38Å; C17-R22 VanDerWaalsContact CB-O 3.28Å; C17-R22 WeakPolarHBondContact CB-O 3.33Å; C17-R22 PolarHBondContact N-O 2.86Å
18E79.7Confident73.5Confident141 Ų14191.1 Ų91.166%0.65952%0.524SS*.THydrogen-bonded Turntrans-64.2-32.1-179.5-68.4179.3166.700113.1N14N14-E18 PolarHBondContact ND2-OE1 2.72Å
19F78.8Confident72.3Confident165 Ų16589.4 Ų89.472%0.72453%0.528SS*.THydrogen-bonded Turntrans-89.5-31.4-177-168-99.8000113.7C6 Q8 C17C6-F19 HydrophobicContact CB-CD1 4.19Å; Q8-F19 HydrophobicContact CB-CB 4.47Å; Q8-F19 HydrophobicContact CG-CB 4.46Å; C17-F19 VanDerWaalsContact C-N 3.29Å; C17-F19 PolarHBondContact O-N 2.86Å
20C84.7Confident71.2Confident49 Ų4991.6 Ų91.633%0.33153%0.532SS..THydrogen-bonded Turntrans-123.5-1.5-16768.50000113.9C6 C17 R22C6-C20 HydrophobicContact CB-CB 4.15Å; C6-C20 PolarHBondContact SG-SG 3.48Å; C17-C20 HydrophobicContact CB-CB 4.28Å; C17-C20 WeakPolarHBondContact CB-SG 3.46Å; C17-C20 WeakPolarHBondContact SG-CB 3.4Å; C17-C20 PolarHBondContact SG-N 3.21Å; C17-C20 CovalentContact SG-SG 2.07Å; C17-C20 PolarHBondContact SG-SG 2.96Å; C20-R22 PolarHBondContact O-N 3.22Å
21G77.4Confident70.9Confident52 Ų5292.1 Ų92.154%0.53654%0.535SS..  trans66.3-10.9-179.700000115.6C17 S23C17-G21 VanDerWaalsContact O-CA 3.26Å; C17-G21 WeakPolarHBondContact O-CA 2.96Å; C17-G21 PolarHBondContact O-N 3.5Å; G21-S23 PolarHBondContact O-N 3.43Å
22R76.5Confident70.4Confident147 Ų14789.3 Ų89.356%0.55552%0.517SS*.PPolyproline II helixtrans-62.2128.9-177.1-85.8174.1176175.90.1112Q5 C16 C17 C20Q5-R22 VanDerWaalsContact CG-NH1 3.27Å; C16-R22 CarbonylContact C-O 3.51Å; C16-R22 WeakPolarHBondContact CA-O 3.31Å; C17-R22 HydrophobicContact CB-CB 4.38Å; C17-R22 VanDerWaalsContact CB-O 3.28Å; C17-R22 WeakPolarHBondContact CB-O 3.33Å; C17-R22 PolarHBondContact N-O 2.86Å; C20-R22 PolarHBondContact O-N 3.22Å
23S74.1Confident70.7Confident94 Ų9490.5 Ų90.566%0.65750%0.503SS*.BIsolated β-bridgetrans-66.1146.9175.6-52.20000111.4S15 G21S15-S23 CarbonylContact O-C 3.58Å; S15-S23 VanDerWaalsContact O-CA 3.31Å; S15-S23 WeakPolarHBondContact O-CA 3.2Å; G21-S23 PolarHBondContact O-N 3.43Å
24K71.1Confident71.1Confident45 Ų4592 Ų9220%0.19650%0.5CS..PPolyproline II helixtrans-55.8131.7171.8-73.4-172.9161.3149.60110.1M1 S11 G12 N14 S15 R26M1-K24 HydrophobicContact CE-CB 3.64Å; M1-K24 HydrophobicContact CE-CD 3.53Å; M1-K24 HydrophobicContact CE-CG 3.37Å; M1-K24 HydrophobicContact SD-CG 4.17Å; S11-K24 PolarHBondContact O-NZ 3.43Å; G12-K24 PolarHBondContact O-NZ 2.92Å; N14-K24 WeakPolarHBondContact O-CD 3.48Å; N14-K24 WeakPolarHBondContact O-CE 3.28Å; N14-K24 WeakPolarHBondContact O-CG 3.47Å; N14-K24 PolarHBondContact O-NZ 3.27Å; S15-K24 PolarHBondContact O-N 3.06Å; K24-R26 PolarHBondContact O-N 2.07Å; K24-R26 VanDerWaalsContact O-N 3.08Å
25P69.5Low72Confident109 Ų10991.6 Ų91.671%0.70850%0.497SS*.PPolyproline II helixtrans-60.6118.117325.1-33.2000108.6G27P25-G27 PolarHBondContact O-N 3.15Å
26R64.6Low72.4Confident209 Ų20988.6 Ų88.679%0.78948%0.48SS*.PPolyproline II helixtrans-67.5131.5173.2-64.1-171.9-68.6-116.12.3108K24 K28K24-R26 PolarHBondContact O-N 2.07Å; K24-R26 VanDerWaalsContact O-N 3.08Å; R26-K28 PolarHBondContact O-N 3.4Å
27G59.7Low72.4Confident73 Ų7393.4 Ų93.475%0.75350%0.495SS*.PPolyproline II helixtrans-51.1127171.700000109.8P25 G29P25-G27 PolarHBondContact O-N 3.15Å; G27-G29 PolarHBondContact O-N 3.33Å
28K53.6Low72.5Confident213 Ų213101.2 Ų101.293%0.92653%0.531SS*.THydrogen-bonded Turntrans-67.6127.7178.1-102.685.4169.1-168.30108.6R26R26-K28 PolarHBondContact O-N 3.4Å
29G55.5Low72.5Confident46 Ų4696.4 Ų96.447%0.47452%0.515SS..THydrogen-bonded Turntrans120.2-3.9159.900000117.7G27G27-G29 PolarHBondContact O-N 3.33Å
30Q56.1Low72.6Confident148 Ų14889.2 Ų89.269%0.69249%0.486SS*.  trans-124.2114.7-179.8-64.9-177.6-4300111.8G32 S55Q30-G32 PolarHBondContact O-N 2.8Å; Q30-S55 PolarHBondContact O-OG 2.8Å
31V65.4Low72.6Confident17 Ų1794 Ų9410%0.10350%0.504CS..SBendtrans-74.4-16.6176.5-174.20000111.8S55 K56 A73 A74 V79V31-S55 WeakPolarHBondContact O-CB 3.44Å; V31-S55 PolarHBondContact O-N 2.99Å; V31-S55 PolarHBondContact O-OG 3.41Å; V31-K56 HydrophobicContact CG1-CG 4.27Å; V31-A73 HydrophobicContact CG1-CB 3.97Å; V31-A74 VanDerWaalsContact CB-O 3.3Å; V31-A74 WeakPolarHBondContact CB-O 2.78Å; V31-A74 WeakPolarHBondContact CG1-O 3.02Å; V31-V79 HydrophobicContact CG2-CG2 3.27Å
32G68.1Low72.8Confident8 Ų899.9 Ų99.98%0.08252%0.515CS..EExtended strand (participates in β ladder)trans-125.1130.2166.600000110.3Q30 S53 K75Q30-G32 PolarHBondContact O-N 2.8Å; G32-S53 WeakPolarHBondContact CA-O 3.48Å; G32-K75 PolarHBondContact N-O 2.7Å; G32-K75 VanDerWaalsContact N-O 3.14Å
33H77.9Confident73.1Confident98 Ų9893.9 Ų93.945%0.45450%0.495SS..EExtended strand (participates in β ladder)trans-97.5133.7165.460.4-75000108.7W52 S53H33-W52 CarbonylContact O-C 3.52Å; H33-W52 VanDerWaalsContact O-CA 3.31Å; H33-W52 WeakPolarHBondContact O-CA 3.41Å; H33-S53 PolarHBondContact CD2-OG 3.48Å; H33-S53 WeakPolarHBondContact CE1-CB 3.49Å; H33-S53 PolarHBondContact CE1-OG 3.2Å; H33-S53 VanDerWaalsContact CG-OG 3.28Å; H33-S53 PolarHBondContact N-O 3.49Å; H33-S53 PolarHBondContact ND1-O 2.81Å; H33-S53 VanDerWaalsContact ND1-O 3.11Å; H33-S53 PolarHBondContact ND1-OG 2.67Å; H33-S53 WeakPolarHBondContact NE2-CB 3.43Å; H33-S53 PolarHBondContact NE2-OG 3.48Å; H33-S53 PolarHBondContact O-N 3.08Å; H33-S53 PolarHBondContact O-OG 3.48Å; H33-S53 VanDerWaalsContact O-OG 3.13Å
34E83Confident73.4Confident125 Ų12598.6 Ų98.658%0.58450%0.504SS*.EExtended strand (participates in β ladder)trans-73131.3173.5-64.1176.9171.500107.7G36 K75E34-G36 PolarHBondContact O-N 3.09Å; E34-K75 IonicContact OE1-NZ 3.03Å; E34-K75 PolarHBondContact OE1-NZ 2.79Å
35I82.8Confident73.9Confident31 Ų3199.9 Ų99.916%0.15953%0.529CS..  trans-62.2-32.4-175-70.3174.6000110.3A39 F47 D51 I60I35-A39 HydrophobicContact CG2-CB 3.27Å; I35-A39 WeakPolarHBondContact O-CB 3.44Å; I35-F47 HydrophobicContact CD1-CB 4.39Å; I35-F47 HydrophobicContact CD1-CG 4.41Å; I35-D51 WeakPolarHBondContact CB-O 3.41Å; I35-D51 HydrophobicContact CD1-CB 3.94Å; I35-D51 WeakPolarHBondContact CG1-O 3.26Å; I35-D51 PolarHBondContact N-O 3.18Å; I35-I60 HydrophobicContact CD1-CB 4.19Å; I35-I60 HydrophobicContact CD1-CD1 3.85Å; I35-I60 HydrophobicContact CD1-CG1 3.8Å; I35-I60 HydrophobicContact CD1-CG2 3.4Å; I35-I60 VanDerWaalsContact CD1-CG2 3.4Å
36G81.5Confident74.4Confident28 Ų28101 Ų10129%0.28953%0.528SS..Hα-helixtrans80164.9178.600000112.4E34 E38 A39 A40 A49E34-G36 PolarHBondContact O-N 3.09Å; G36-E38 VanDerWaalsContact C-N 3.32Å; G36-E38 PolarHBondContact O-N 2.81Å; G36-A39 PolarHBondContact O-N 3Å; G36-A40 PolarHBondContact O-N 2.89Å; G36-A40 VanDerWaalsContact O-N 3.17Å; G36-A49 PolarHBondContact N-O 2.85Å
37K81Confident75.3Confident159 Ų15994.6 Ų94.669%0.69151%0.506SS*.Hα-helixtrans-61.6-39.2-175.2-64.6-179.9179.9-178.20112.6A39 A40 E41 A49K37-A39 PolarHBondContact O-N 3.1Å; K37-A40 WeakPolarHBondContact O-CB 3.31Å; K37-A40 PolarHBondContact O-N 3.24Å; K37-E41 WeakPolarHBondContact O-CG 3.37Å; K37-E41 PolarHBondContact O-N 3.34Å; K37-A49 HydrophobicContact CB-CB 4.4Å; K37-A49 HydrophobicContact CG-CB 3.76Å
38E81.3Confident76.5Confident169 Ų16993.4 Ų93.479%0.7949%0.49SS*.Hα-helixtrans-62.2-43.4-178-62-177.9177.200112.6G36 K42G36-E38 VanDerWaalsContact C-N 3.32Å; G36-E38 PolarHBondContact O-N 2.81Å; E38-K42 WeakPolarHBondContact O-CB 3.31Å; E38-K42 PolarHBondContact O-N 2.92Å
39A80.1Confident78Confident40 Ų4085 Ų8533%0.33146%0.46SS..Hα-helixtrans-77.3-29.4179.600000112I35 G36 K37 K42 S43I35-A39 HydrophobicContact CG2-CB 3.27Å; I35-A39 WeakPolarHBondContact O-CB 3.44Å; G36-A39 PolarHBondContact O-N 3Å; K37-A39 PolarHBondContact O-N 3.1Å; A39-K42 PolarHBondContact O-N 3.17Å; A39-S43 VanDerWaalsContact O-CB 3.28Å; A39-S43 WeakPolarHBondContact O-CB 3.48Å; A39-S43 PolarHBondContact O-N 3.36Å; A39-S43 PolarHBondContact O-OG 2.99Å
40A81.1Confident79.4Confident13 Ų1389.5 Ų89.511%0.10747%0.468CS..Hα-helixtrans-61-48.2168.700000111.6G36 K37 K42 S43 F47 A49G36-A40 PolarHBondContact O-N 2.89Å; G36-A40 VanDerWaalsContact O-N 3.17Å; K37-A40 WeakPolarHBondContact O-CB 3.31Å; K37-A40 PolarHBondContact O-N 3.24Å; A40-K42 PolarHBondContact O-N 3.38Å; A40-S43 PolarHBondContact O-N 3.42Å; A40-S43 PolarHBondContact O-OG 2.88Å; A40-F47 WeakPolarHBondContact CB-O 3.26Å; A40-A49 HydrophobicContact CB-CB 4.2Å
41E83.6Confident81.1Confident151 Ų15183.1 Ų83.171%0.70644%0.439SS*.Hα-helixtrans-62.1-44.5176.3-72.8172.4-169.500111.9K37 S43 K44K37-E41 WeakPolarHBondContact O-CG 3.37Å; K37-E41 PolarHBondContact O-N 3.34Å; E41-S43 PolarHBondContact O-N 3.38Å; E41-K44 PolarHBondContact O-N 3.22Å; E41-K44 VanDerWaalsContact O-N 3.08Å
42K83.5Confident82.2Confident175 Ų17582.3 Ų82.376%0.76143%0.434SS*.Hα-helixtrans-62.7-30.1177.4-169.5173.6-176.1177.20112.6E38 A39 A40 K44E38-K42 WeakPolarHBondContact O-CB 3.31Å; E38-K42 PolarHBondContact O-N 2.92Å; A39-K42 PolarHBondContact O-N 3.17Å; A40-K42 PolarHBondContact O-N 3.38Å; K42-K44 PolarHBondContact O-N 3.27Å
43S81.2Confident83.2Confident20 Ų2082.2 Ų82.214%0.1443%0.433CS..THydrogen-bonded Turntrans-78.84178.279.30000114A39 A40 E41 G45 L46 F47A39-S43 VanDerWaalsContact O-CB 3.28Å; A39-S43 WeakPolarHBondContact O-CB 3.48Å; A39-S43 PolarHBondContact O-N 3.36Å; A39-S43 PolarHBondContact O-OG 2.99Å; A40-S43 PolarHBondContact O-N 3.42Å; A40-S43 PolarHBondContact O-OG 2.88Å; E41-S43 PolarHBondContact O-N 3.38Å; S43-G45 PolarHBondContact O-N 2.69Å; S43-G45 VanDerWaalsContact O-N 3.15Å; S43-L46 WeakPolarHBondContact O-CB 3.17Å; S43-L46 WeakPolarHBondContact O-CD1 3.48Å; S43-L46 PolarHBondContact O-N 2.96Å; S43-F47 VanDerWaalsContact CB-CD2 3.47Å; S43-F47 PolarHBondContact OG-N 3.11Å; S43-F47 VanDerWaalsContact OG-N 3.11Å
44K81.3Confident83.8Confident194 Ų19477.6 Ų77.684%0.84341%0.411SS*.THydrogen-bonded Turntrans52.836.5176.9-60.5177.1177.1176.40113.2E41 K42E41-K44 PolarHBondContact O-N 3.22Å; E41-K44 VanDerWaalsContact O-N 3.08Å; K42-K44 PolarHBondContact O-N 3.27Å
45G80.7Confident83.9Confident71 Ų7173.9 Ų73.973%0.73240%0.399SS*.THydrogen-bonded Turntrans85.911.1179.200000115.6S43S43-G45 PolarHBondContact O-N 2.69Å; S43-G45 VanDerWaalsContact O-N 3.15Å
46L80.3Confident84Confident132 Ų13279.9 Ų79.969%0.69142%0.424SS*.SBendtrans-73.7-30.7171.8-8684.3000112.9S43S43-L46 WeakPolarHBondContact O-CB 3.17Å; S43-L46 WeakPolarHBondContact O-CD1 3.48Å; S43-L46 PolarHBondContact O-N 2.96Å
47F83.4Confident84.3Confident75 Ų7581.3 Ų81.333%0.32943%0.429SS..SBendtrans-126.1144.6-179.7-54.9-62.4000111.2I35 A40 S43 I60I35-F47 HydrophobicContact CD1-CB 4.39Å; I35-F47 HydrophobicContact CD1-CG 4.41Å; A40-F47 WeakPolarHBondContact CB-O 3.26Å; S43-F47 VanDerWaalsContact CB-CD2 3.47Å; S43-F47 PolarHBondContact OG-N 3.11Å; S43-F47 VanDerWaalsContact OG-N 3.11Å; F47-I60 HydrophobicContact CD1-CB 4.43Å; F47-I60 HydrophobicContact CD1-CD1 4.09Å; F47-I60 HydrophobicContact CD1-CG2 3.59Å; F47-I60 HydrophobicContact CD2-CD1 4.2Å; F47-I60 HydrophobicContact CE1-CB 4.09Å; F47-I60 HydrophobicContact CE1-CD1 3.61Å; F47-I60 HydrophobicContact CE1-CG1 4.45Å; F47-I60 HydrophobicContact CE1-CG2 3.72Å; F47-I60 HydrophobicContact CE2-CD1 3.75Å; F47-I60 HydrophobicContact CG-CD1 4.37Å; F47-I60 HydrophobicContact CG-CG2 4.41Å; F47-I60 HydrophobicContact CZ-CD1 3.44Å; F47-I60 VanDerWaalsContact CZ-CD1 3.44Å
48A85Confident84.7Confident48 Ų4876.2 Ų76.240%0.39742%0.422SS..  trans-81.2154168.800000110.3E50 D51A48-E50 PolarHBondContact O-N 2.98Å; A48-D51 PolarHBondContact N-OD2 3.13Å; A48-D51 WeakPolarHBondContact O-CB 3.44Å; A48-D51 PolarHBondContact O-N 3.1Å; A48-D51 VanDerWaalsContact O-N 3.1Å
49A84.7Confident85.2Confident36 Ų3670.3 Ų70.330%0.29840%0.395SS..THydrogen-bonded Turntrans-61-25.9176.200000112.9G36 K37 A40G36-A49 PolarHBondContact N-O 2.85Å; K37-A49 HydrophobicContact CB-CB 4.4Å; K37-A49 HydrophobicContact CG-CB 3.76Å; A40-A49 HydrophobicContact CB-CB 4.2Å
50E85.3Confident85.6Confident141 Ų14171.1 Ų71.166%0.65939%0.394SS*.THydrogen-bonded Turntrans-88.6-6.8-179.5-59.6178177.500113.3A48 A63A48-E50 PolarHBondContact O-N 2.98Å; E50-A63 HydrophobicContact CB-CB 3.53Å; E50-A63 WeakPolarHBondContact O-CA 3.2Å; E50-A63 VanDerWaalsContact O-CB 3.27Å; E50-A63 WeakPolarHBondContact O-CB 3.32Å
51D91.8Very high86.1Confident14 Ų1470.6 Ų70.68%0.07539%0.389CS..  trans-67.1145.3175.4-70.8-21.6000110.1I35 A48 I60 W62 A63I35-D51 WeakPolarHBondContact CB-O 3.41Å; I35-D51 HydrophobicContact CD1-CB 3.94Å; I35-D51 WeakPolarHBondContact CG1-O 3.26Å; I35-D51 PolarHBondContact N-O 3.18Å; A48-D51 PolarHBondContact N-OD2 3.13Å; A48-D51 WeakPolarHBondContact O-CB 3.44Å; A48-D51 PolarHBondContact O-N 3.1Å; A48-D51 VanDerWaalsContact O-N 3.1Å; D51-I60 HydrophobicContact CB-CG2 4.16Å; D51-W62 VanDerWaalsContact OD1-CA 3.26Å; D51-W62 WeakPolarHBondContact OD1-CA 3.31Å; D51-A63 PolarHBondContact OD1-N 3.41Å
52W88.6Confident86.4Confident0 Ų070 Ų700%038%0.38CS..EExtended strand (participates in β ladder)trans-124.6135.6-173.667.1-87.4000111.6H33 C54 N61 R65 C68 K75H33-W52 CarbonylContact O-C 3.52Å; H33-W52 VanDerWaalsContact O-CA 3.31Å; H33-W52 WeakPolarHBondContact O-CA 3.41Å; W52-C54 HydrophobicContact CZ3-CB 3.93Å; W52-N61 HydrophobicContact CD2-CB 4.06Å; W52-N61 HydrophobicContact CH2-CB 4.4Å; W52-N61 WeakPolarHBondContact CH2-ND2 3.39Å; W52-N61 HydrophobicContact CZ2-CB 3.75Å; W52-N61 PolarHBondContact N-O 2.99Å; W52-N61 PolarHBondContact O-N 2.94Å; W52-R65 PolarHBondContact NE1-O 3.5Å; W52-C68 HydrophobicContact CH2-CB 3.9Å; W52-C68 HydrophobicContact CZ3-CB 4.49Å; W52-K75 VanDerWaalsContact CD1-CE 3.5Å; W52-K75 HydrophobicContact CD2-CB 4.16Å; W52-K75 HydrophobicContact CD2-CD 4.33Å; W52-K75 HydrophobicContact CD2-CG 3.82Å; W52-K75 HydrophobicContact CE3-CB 4.48Å; W52-K75 HydrophobicContact CE3-CG 4.33Å; W52-K75 HydrophobicContact CG-CD 4.06Å; W52-K75 HydrophobicContact CG-CG 3.96Å; W52-K75 HydrophobicContact CH2-CB 4.11Å; W52-K75 HydrophobicContact CZ2-CB 3.8Å; W52-K75 HydrophobicContact CZ2-CG 4.35Å; W52-K75 HydrophobicContact CZ3-CB 4.44Å
53S89.1Confident86.7Confident7 Ų763.2 Ų63.25%0.04936%0.357CS..EExtended strand (participates in β ladder)trans-95.6126.8178.525.20000110.2G32 H33 S55 N59G32-S53 WeakPolarHBondContact CA-O 3.48Å; H33-S53 PolarHBondContact CD2-OG 3.48Å; H33-S53 WeakPolarHBondContact CE1-CB 3.49Å; H33-S53 PolarHBondContact CE1-OG 3.2Å; H33-S53 VanDerWaalsContact CG-OG 3.28Å; H33-S53 PolarHBondContact N-O 3.49Å; H33-S53 PolarHBondContact ND1-O 2.81Å; H33-S53 VanDerWaalsContact ND1-O 3.11Å; H33-S53 PolarHBondContact ND1-OG 2.67Å; H33-S53 WeakPolarHBondContact NE2-CB 3.43Å; H33-S53 PolarHBondContact NE2-OG 3.48Å; H33-S53 PolarHBondContact O-N 3.08Å; H33-S53 PolarHBondContact O-OG 3.48Å; H33-S53 VanDerWaalsContact O-OG 3.13Å; S53-S55 PolarHBondContact O-N 2.92Å; S53-N59 WeakPolarHBondContact CA-O 3.39Å
54C89.7Confident87Confident1 Ų171.3 Ų71.31%0.00738%0.384CS..EExtended strand (participates in β ladder)trans-67.9123.9-178.8-179.80000111.2W52 K56 G58 N59 C68 C71W52-C54 HydrophobicContact CZ3-CB 3.93Å; C54-K56 PolarHBondContact O-N 3.29Å; C54-K56 PolarHBondContact SG-N 2.75Å; C54-K56 VanDerWaalsContact SG-N 3.41Å; C54-G58 WeakPolarHBondContact O-CA 3.18Å; C54-G58 PolarHBondContact O-N 2.83Å; C54-N59 PolarHBondContact N-O 2.8Å; C54-C68 HydrophobicContact CB-CB 4.04Å; C54-C71 PolarHBondContact SG-SG 3.26Å
55S85.2Confident87.4Confident46 Ų4665 Ų6532%0.32236%0.356SS..THydrogen-bonded Turntrans-68.1-19177.5-55.70000113.4Q30 V31 S53Q30-S55 PolarHBondContact O-OG 2.8Å; V31-S55 WeakPolarHBondContact O-CB 3.44Å; V31-S55 PolarHBondContact O-N 2.99Å; V31-S55 PolarHBondContact O-OG 3.41Å; S53-S55 PolarHBondContact O-N 2.92Å
56K84.9Confident87.7Confident157 Ų15767.9 Ų67.968%0.68335%0.353SS*.THydrogen-bonded Turntrans-82.7-50178.4-60.3-160.6-169.6177.90112.8V31 C54 A73V31-K56 HydrophobicContact CG1-CG 4.27Å; C54-K56 PolarHBondContact O-N 3.29Å; C54-K56 PolarHBondContact SG-N 2.75Å; C54-K56 VanDerWaalsContact SG-N 3.41Å; K56-A73 HydrophobicContact CB-CB 4.4Å; K56-A73 HydrophobicContact CD-CB 3.68Å; K56-A73 HydrophobicContact CG-CB 3.94Å
57C89.5Confident88.2Confident58 Ų5867.1 Ų67.139%0.39235%0.346SS..THydrogen-bonded Turntrans-115.2-7.3-173.767.80000114.8N59 C68 C71C57-N59 VanDerWaalsContact C-N 3.27Å; C57-N59 PolarHBondContact O-N 3Å; C57-N59 VanDerWaalsContact SG-CB 3.57Å; C57-C68 PolarHBondContact SG-SG 3.38Å; C57-C71 HydrophobicContact CB-CB 4.19Å; C57-C71 PolarHBondContact SG-SG 3.09Å
58G87.6Confident88.6Confident53 Ų5363.6 Ų63.655%0.54633%0.331SS..  trans78.5-0.4-177.500000115.2C54C54-G58 WeakPolarHBondContact O-CA 3.18Å; C54-G58 PolarHBondContact O-N 2.83Å
59N91.9Very high89Confident44 Ų4466.2 Ų66.224%0.23534%0.338CS..  trans-69.5137.1179.9-17253.4000112.7S53 C54 C57 N61 I70S53-N59 WeakPolarHBondContact CA-O 3.39Å; C54-N59 PolarHBondContact N-O 2.8Å; C57-N59 VanDerWaalsContact C-N 3.27Å; C57-N59 PolarHBondContact O-N 3Å; C57-N59 VanDerWaalsContact SG-CB 3.57Å; N59-N61 PolarHBondContact ND2-OD1 2.94Å; N59-N61 PolarHBondContact O-ND2 2.89Å; N59-N61 VanDerWaalsContact O-ND2 3.09Å; N59-I70 HydrophobicContact CB-CB 4.4Å; N59-I70 HydrophobicContact CB-CD1 3.68Å; N59-I70 HydrophobicContact CB-CG1 3.98Å
60I90.1Very high89.2Confident58 Ų5869.8 Ų69.830%0.29735%0.351SS..EExtended strand (participates in β ladder)trans-82.5126.6172.4-62.7170.8000109.3I35 F47 D51I35-I60 HydrophobicContact CD1-CB 4.19Å; I35-I60 HydrophobicContact CD1-CD1 3.85Å; I35-I60 HydrophobicContact CD1-CG1 3.8Å; I35-I60 HydrophobicContact CD1-CG2 3.4Å; I35-I60 VanDerWaalsContact CD1-CG2 3.4Å; F47-I60 HydrophobicContact CD1-CB 4.43Å; F47-I60 HydrophobicContact CD1-CD1 4.09Å; F47-I60 HydrophobicContact CD1-CG2 3.59Å; F47-I60 HydrophobicContact CD2-CD1 4.2Å; F47-I60 HydrophobicContact CE1-CB 4.09Å; F47-I60 HydrophobicContact CE1-CD1 3.61Å; F47-I60 HydrophobicContact CE1-CG1 4.45Å; F47-I60 HydrophobicContact CE1-CG2 3.72Å; F47-I60 HydrophobicContact CE2-CD1 3.75Å; F47-I60 HydrophobicContact CG-CD1 4.37Å; F47-I60 HydrophobicContact CG-CG2 4.41Å; F47-I60 HydrophobicContact CZ-CD1 3.44Å; F47-I60 VanDerWaalsContact CZ-CD1 3.44Å; D51-I60 HydrophobicContact CB-CG2 4.16Å
61N91.2Very high89.5Confident1 Ų165.4 Ų65.41%0.00534%0.336CS..EExtended strand (participates in β ladder)trans-118.7144.6-179.1-53.7-76.5000110W52 N59 C68 N69W52-N61 HydrophobicContact CD2-CB 4.06Å; W52-N61 HydrophobicContact CH2-CB 4.4Å; W52-N61 WeakPolarHBondContact CH2-ND2 3.39Å; W52-N61 HydrophobicContact CZ2-CB 3.75Å; W52-N61 PolarHBondContact N-O 2.99Å; W52-N61 PolarHBondContact O-N 2.94Å; N59-N61 PolarHBondContact ND2-OD1 2.94Å; N59-N61 PolarHBondContact O-ND2 2.89Å; N59-N61 VanDerWaalsContact O-ND2 3.09Å; N61-C68 WeakPolarHBondContact OD1-CA 3.27Å; N61-C68 PolarHBondContact OD1-SG 3.47Å; N61-N69 PolarHBondContact OD1-N 2.86Å
62W90.3Very high89.3Confident138 Ų13870.2 Ų70.252%0.52336%0.361SS..  trans-58139.6174.7-57.3-32.5000111.6D51 R64 R65D51-W62 VanDerWaalsContact OD1-CA 3.26Å; D51-W62 WeakPolarHBondContact OD1-CA 3.31Å; W62-R64 HydrophobicContact CB-CG 4.25Å; W62-R64 VanDerWaalsContact CZ3-NH2 3.29Å; W62-R64 PolarHBondContact O-N 3.14Å; W62-R65 VanDerWaalsContact CZ3-NH2 3.34Å; W62-R65 PolarHBondContact O-N 3.06Å
63A88.4Confident89.1Confident33 Ų3370.4 Ų70.427%0.27336%0.363SS..THydrogen-bonded Turntrans-43-41179.900000114.4E50 D51 R65E50-A63 HydrophobicContact CB-CB 3.53Å; E50-A63 WeakPolarHBondContact O-CA 3.2Å; E50-A63 VanDerWaalsContact O-CB 3.27Å; E50-A63 WeakPolarHBondContact O-CB 3.32Å; D51-A63 PolarHBondContact OD1-N 3.41Å; A63-R65 VanDerWaalsContact C-N 3.27Å; A63-R65 PolarHBondContact O-N 3.49Å
64R89Confident88.9Confident190 Ų19072 Ų7272%0.71738%0.376SS*.THydrogen-bonded Turntrans-68.3-14.2-178.870.2-177.2-176.589.6-6.9115.7W62W62-R64 HydrophobicContact CB-CG 4.25Å; W62-R64 VanDerWaalsContact CZ3-NH2 3.29Å; W62-R64 PolarHBondContact O-N 3.14Å
65R89.5Confident88.3Confident63 Ų6374.2 Ų74.224%0.23839%0.386CS..  trans-85.7131.2-177.7-75.4-164.5170.595.5-0.7110.8W52 W62 A63W52-R65 PolarHBondContact NE1-O 3.5Å; W62-R65 VanDerWaalsContact CZ3-NH2 3.34Å; W62-R65 PolarHBondContact O-N 3.06Å; A63-R65 VanDerWaalsContact C-N 3.27Å; A63-R65 PolarHBondContact O-N 3.49Å
66L87.3Confident87.2Confident130 Ų13076.9 Ų76.968%0.68140%0.403SS*.SBendtrans-83.9-15.1171.4-63176000113.1A74 K75L66-A74 CarbonylContact O-C 3.55Å; L66-A74 WeakPolarHBondContact O-CA 3.35Å; L66-K75 PolarHBondContact O-N 3.03Å
67Q89.8Confident85.8Confident117 Ų11770.8 Ų70.855%0.54739%0.385SS..BIsolated β-bridgetrans-134.7149.8-177.2-68174.7-34.500110.9A73Q67-A73 CarbonylContact C-O 3.6Å; Q67-A73 VanDerWaalsContact CA-O 3.32Å; Q67-A73 WeakPolarHBondContact CA-O 3.3Å
68C92.7Very high83.8Confident1 Ų176.9 Ų76.91%0.00741%0.408CS..  trans-70136179.3-179.80000111.1W52 C54 C57 N61 I70 N72 A73W52-C68 HydrophobicContact CH2-CB 3.9Å; W52-C68 HydrophobicContact CZ3-CB 4.49Å; C54-C68 HydrophobicContact CB-CB 4.04Å; C57-C68 PolarHBondContact SG-SG 3.38Å; N61-C68 WeakPolarHBondContact OD1-CA 3.27Å; N61-C68 PolarHBondContact OD1-SG 3.47Å; C68-I70 PolarHBondContact O-N 2.95Å; C68-I70 PolarHBondContact SG-N 3.45Å; C68-N72 WeakPolarHBondContact O-CA 3.19Å; C68-N72 PolarHBondContact O-N 3.27Å; C68-N72 PolarHBondContact O-OD1 3.26Å; C68-A73 HydrophobicContact CB-CB 4.3Å; C68-A73 PolarHBondContact N-O 2.81Å
69N91.6Very high82.4Confident102 Ų10278.2 Ų78.255%0.54541%0.405SS..THydrogen-bonded Turntrans-65.3-23.4179.8-167.847.7000114.3N61N61-N69 PolarHBondContact OD1-N 2.86Å
70I90.9Very high80.8Confident111 Ų11181.7 Ų81.757%0.56942%0.42SS*.THydrogen-bonded Turntrans-98.4-51.5-176.2-60.6-169.5000111.2N59 C68N59-I70 HydrophobicContact CB-CB 4.4Å; N59-I70 HydrophobicContact CB-CD1 3.68Å; N59-I70 HydrophobicContact CB-CG1 3.98Å; C68-I70 PolarHBondContact O-N 2.95Å; C68-I70 PolarHBondContact SG-N 3.45Å
71C91.2Very high79.4Confident50 Ų5082 Ų8234%0.33843%0.431SS..THydrogen-bonded Turntrans-112.66.3-17269.20000114.4C54 C57 A73C54-C71 PolarHBondContact SG-SG 3.26Å; C57-C71 HydrophobicContact CB-CB 4.19Å; C57-C71 PolarHBondContact SG-SG 3.09Å; C71-A73 PolarHBondContact O-N 2.96Å; C71-A73 VanDerWaalsContact SG-CB 3.57Å
72N88Confident78Confident115 Ų11589.2 Ų89.262%0.61546%0.458SS*.  trans55.417.4-179.7-59.5-32000115.1C68C68-N72 WeakPolarHBondContact O-CA 3.19Å; C68-N72 PolarHBondContact O-N 3.27Å; C68-N72 PolarHBondContact O-OD1 3.26Å
73A84.4Confident77Confident3 Ų386.5 Ų86.53%0.02546%0.457CS..  trans-66.7135175.500000111V31 K56 Q67 C68 C71V31-A73 HydrophobicContact CG1-CB 3.97Å; K56-A73 HydrophobicContact CB-CB 4.4Å; K56-A73 HydrophobicContact CD-CB 3.68Å; K56-A73 HydrophobicContact CG-CB 3.94Å; Q67-A73 CarbonylContact C-O 3.6Å; Q67-A73 VanDerWaalsContact CA-O 3.32Å; Q67-A73 WeakPolarHBondContact CA-O 3.3Å; C68-A73 HydrophobicContact CB-CB 4.3Å; C68-A73 PolarHBondContact N-O 2.81Å; C71-A73 PolarHBondContact O-N 2.96Å; C71-A73 VanDerWaalsContact SG-CB 3.57Å
74A83.4Confident76Confident41 Ų4185.4 Ų85.434%0.33945%0.449SS..BIsolated β-bridgetrans-63.6142.1176.600000112V31 L66 C76V31-A74 VanDerWaalsContact CB-O 3.3Å; V31-A74 WeakPolarHBondContact CB-O 2.78Å; V31-A74 WeakPolarHBondContact CG1-O 3.02Å; L66-A74 CarbonylContact O-C 3.55Å; L66-A74 WeakPolarHBondContact O-CA 3.35Å; A74-C76 VanDerWaalsContact C-N 3.35Å
75K77.1Confident74.8Confident48 Ų4888 Ų8821%0.20946%0.46CS..THydrogen-bonded Turntrans-58.5-49.4174.2-179.5-178.8-167.6-80.50110.3G32 E34 W52 L66G32-K75 PolarHBondContact N-O 2.7Å; G32-K75 VanDerWaalsContact N-O 3.14Å; E34-K75 IonicContact OE1-NZ 3.03Å; E34-K75 PolarHBondContact OE1-NZ 2.79Å; W52-K75 VanDerWaalsContact CD1-CE 3.5Å; W52-K75 HydrophobicContact CD2-CB 4.16Å; W52-K75 HydrophobicContact CD2-CD 4.33Å; W52-K75 HydrophobicContact CD2-CG 3.82Å; W52-K75 HydrophobicContact CE3-CB 4.48Å; W52-K75 HydrophobicContact CE3-CG 4.33Å; W52-K75 HydrophobicContact CG-CD 4.06Å; W52-K75 HydrophobicContact CG-CG 3.96Å; W52-K75 HydrophobicContact CH2-CB 4.11Å; W52-K75 HydrophobicContact CZ2-CB 3.8Å; W52-K75 HydrophobicContact CZ2-CG 4.35Å; W52-K75 HydrophobicContact CZ3-CB 4.44Å; L66-K75 PolarHBondContact O-N 3.03Å
76C62Low73.9Confident101 Ų10188.9 Ų88.968%0.68249%0.489SS*.THydrogen-bonded Turntrans-129.576.7-179.6320000107.8A74A74-C76 VanDerWaalsContact C-N 3.35Å
77G56.3Low73Confident29 Ų2984.7 Ų84.730%0.29948%0.478SS..  trans-88125.615500000106.6V79G77-V79 PolarHBondContact O-N 3.26Å
78E48.2Very low72.2Confident186 Ų18680 Ų8087%0.86946%0.461SS*.  trans-47.898.1159.7-173.699.6-145.400106.3E80E78-E80 PolarHBondContact O-N 2.59Å
79V57.8Low70.7Confident82 Ų8284.2 Ų84.250%0.49748%0.477SS..  trans-75.784.8167.7-177.60000103.1V31 G77 A81V31-V79 HydrophobicContact CG2-CG2 3.27Å; G77-V79 PolarHBondContact O-N 3.26Å; V79-A81 PolarHBondContact O-N 3.42Å
80E58.3Low69.6Low117 Ų11783.4 Ų83.455%0.54747%0.471SS..  trans-43.7116.8173.8-161.9179-164.300106.9E78 R82 Y89E78-E80 PolarHBondContact O-N 2.59Å; E80-R82 PolarHBondContact O-N 3.09Å; E80-Y89 HydrophobicContact CB-CE2 4.26Å; E80-Y89 HydrophobicContact CG-CE2 3.62Å; E80-Y89 WeakPolarHBondContact CG-OH 3.38Å; E80-Y89 PolarHBondContact OE1-OH 3.18Å; E80-Y89 WeakPolarHBondContact OE2-CE2 3.21Å
81A60.2Low68.6Low64 Ų6484.5 Ų84.553%0.52948%0.478SS..  trans-58.4114.5-166.900000107.5V79 T83V79-A81 PolarHBondContact O-N 3.42Å; A81-T83 HydrophobicContact CB-CG2 3.66Å; A81-T83 WeakPolarHBondContact O-CG2 3.17Å; A81-T83 PolarHBondContact O-N 2.92Å
82R62.7Low67.5Low152 Ų15292.6 Ų92.657%0.57450%0.502SS*.  trans-77.474.9178.2-159.2152.5173.485.13.9107.9E80 G84 G87 G88E80-R82 PolarHBondContact O-N 3.09Å; R82-G84 PolarHBondContact O-N 2.85Å; R82-G87 WeakPolarHBondContact CD-O 3.44Å; R82-G87 PolarHBondContact NE-O 3.38Å; R82-G87 PolarHBondContact NH2-O 3.37Å; R82-G88 WeakPolarHBondContact CG-O 3.29Å; R82-G88 VanDerWaalsContact CZ-C 3.48Å; R82-G88 VanDerWaalsContact CZ-CA 3.49Å
83T67.4Low66.3Low82 Ų8293 Ų9350%0.50350%0.5SS..  trans-78.1-4-16952.20000113A81 M90A81-T83 HydrophobicContact CB-CG2 3.66Å; A81-T83 WeakPolarHBondContact O-CG2 3.17Å; A81-T83 PolarHBondContact O-N 2.92Å; T83-M90 VanDerWaalsContact O-CE 3.29Å; T83-M90 WeakPolarHBondContact O-CE 3.07Å; T83-M90 WeakPolarHBondContact OG1-CE 3.42Å; T83-M90 VanDerWaalsContact OG1-CG 3.3Å; T83-M90 WeakPolarHBondContact OG1-CG 3.3Å; T83-M90 PolarHBondContact OG1-SD 2.9Å
84G67.4Low65.1Low10 Ų10101.8 Ų101.810%0.10354%0.54CS..BIsolated β-bridgetrans-74.7145.8175.200000113.5R82 G86 G87 G88R82-G84 PolarHBondContact O-N 2.85Å; G84-G86 PolarHBondContact O-N 2.99Å; G84-G87 PolarHBondContact O-N 2.79Å; G84-G87 VanDerWaalsContact O-N 3.09Å; G84-G88 WeakPolarHBondContact CA-O 3.48Å; G84-G88 PolarHBondContact N-O 2.78Å; G84-G88 PolarHBondContact O-N 3.46Å
85Y64.2Low64Low243 Ų243104.4 Ų104.495%0.95355%0.552SS**THydrogen-bonded Turntrans-52.2131.4171.3-124-95.9000110.2
86G71.4Confident63.2Low82 Ų82110.7 Ų110.785%0.84558%0.582SS**THydrogen-bonded Turntrans79.312.5-177.600000115.5G84G84-G86 PolarHBondContact O-N 2.99Å
87G68.9Low63Low43 Ų43116.5 Ų116.544%0.44359%0.59SS.*THydrogen-bonded Turntrans68.951.6-17600000109.9R82 G84R82-G87 WeakPolarHBondContact CD-O 3.44Å; R82-G87 PolarHBondContact NE-O 3.38Å; R82-G87 PolarHBondContact NH2-O 3.37Å; G84-G87 PolarHBondContact O-N 2.79Å; G84-G87 VanDerWaalsContact O-N 3.09Å
88G71.2Confident63.1Low18 Ų18125.3 Ų125.319%0.18661%0.614CS.*BIsolated β-bridgetrans-106.8157.817100000111.8R82 G84R82-G88 WeakPolarHBondContact CG-O 3.29Å; R82-G88 VanDerWaalsContact CZ-C 3.48Å; R82-G88 VanDerWaalsContact CZ-CA 3.49Å; G84-G88 WeakPolarHBondContact CA-O 3.48Å; G84-G88 PolarHBondContact N-O 2.78Å; G84-G88 PolarHBondContact O-N 3.46Å
89Y62.1Low63.7Low90 Ų90127 Ų12735%0.35361%0.612SS.*  trans-76.9149.2158.3-138.1-101.2000106.7E80 D91E80-Y89 HydrophobicContact CB-CE2 4.26Å; E80-Y89 HydrophobicContact CG-CE2 3.62Å; E80-Y89 WeakPolarHBondContact CG-OH 3.38Å; E80-Y89 PolarHBondContact OE1-OH 3.18Å; E80-Y89 WeakPolarHBondContact OE2-CE2 3.21Å; Y89-D91 WeakPolarHBondContact CB-OD2 3.39Å; Y89-D91 PolarHBondContact O-N 2.78Å
90M69.5Low63.7Low84 Ų84127.7 Ų127.741%0.41461%0.613SS.*SBendtrans-67.423-168.3-65-159.3144.700115.1T83 R92 Q93T83-M90 VanDerWaalsContact O-CE 3.29Å; T83-M90 WeakPolarHBondContact O-CE 3.07Å; T83-M90 WeakPolarHBondContact OG1-CE 3.42Å; T83-M90 VanDerWaalsContact OG1-CG 3.3Å; T83-M90 WeakPolarHBondContact OG1-CG 3.3Å; T83-M90 PolarHBondContact OG1-SD 2.9Å; M90-R92 PolarHBondContact O-N 3.33Å; M90-Q93 HydrophobicContact CB-CG 4.32Å; M90-Q93 PolarHBondContact O-N 2.49Å; M90-Q93 PolarHBondContact SD-NE2 3.24Å; M90-Q93 PolarHBondContact SD-OE1 3.21Å
91D69.2Low63.8Low135 Ų135126.4 Ų126.472%0.72262%0.623SS**THydrogen-bonded Turntrans-64.7-18.3-168-52.3-38.3000114.1Y89Y89-D91 WeakPolarHBondContact CB-OD2 3.39Å; Y89-D91 PolarHBondContact O-N 2.78Å
92R67.3Low63.9Low220 Ų220127.2 Ų127.283%0.8362%0.624SS**THydrogen-bonded Turntrans-108.810.5-175.2-111.4-179.7-169.5148.33.4115.5M90 Q94 V95M90-R92 PolarHBondContact O-N 3.33Å; R92-Q94 VanDerWaalsContact C-N 3.27Å; R92-Q94 PolarHBondContact O-N 2.74Å; R92-V95 HydrophobicContact CG-CG2 3.94Å
93Q63.2Low63.8Low123 Ų123125.4 Ų125.458%0.57563%0.626SS**THydrogen-bonded Turntrans-74.6-16.1-172.5-72.7175.114.600114.6M90M90-Q93 HydrophobicContact CB-CG 4.32Å; M90-Q93 PolarHBondContact O-N 2.49Å; M90-Q93 PolarHBondContact SD-NE2 3.24Å; M90-Q93 PolarHBondContact SD-OE1 3.21Å
94Q59.7Low63.7Low187 Ų187127.3 Ų127.387%0.87463%0.633SS**THydrogen-bonded Turntrans-122.657.6175.1-164.1174.675.800110.4R92R92-Q94 VanDerWaalsContact C-N 3.27Å; R92-Q94 PolarHBondContact O-N 2.74Å
95V59.7Low64Low96 Ų96129.2 Ų129.258%0.58264%0.639SS**  trans-10574.7158.9-164.50000107.2R92 R97R92-V95 HydrophobicContact CG-CG2 3.94Å; V95-R97 PolarHBondContact O-N 3.34Å; V95-R97 VanDerWaalsContact O-N 3.09Å
96E59.7Low64.7Low180 Ų180123 Ų12384%0.84162%0.615SS**  trans-63.6109.3153.3-160.3176-152.500104.6R98E96-R98 PolarHBondContact O-N 3.35Å
97R57.9Low65.3Low224 Ų224121.8 Ų121.885%0.84559%0.589SS**  trans-58.5100.3166.8-78.7-169.2-75.7157.7-5.8104.9V95 R99V95-R97 PolarHBondContact O-N 3.34Å; V95-R97 VanDerWaalsContact O-N 3.09Å; R97-R99 VanDerWaalsContact C-N 3.28Å; R97-R99 PolarHBondContact O-N 3.05Å
98R59Low65.9Low213 Ų213128.6 Ų128.680%0.80461%0.609SS**  trans-56.7103.6171.2-154.7-169.7-163.3-147.26104.6E96 N100E96-R98 PolarHBondContact O-N 3.35Å; R98-N100 PolarHBondContact O-N 3.09Å
99R60.3Low66.5Low221 Ų221135.6 Ų135.683%0.83464%0.635SS**  trans-68.888.6-178.4-158.9175.6-165.6161.51.4105.3R97 A101R97-R99 VanDerWaalsContact C-N 3.28Å; R97-R99 PolarHBondContact O-N 3.05Å; R99-A101 PolarHBondContact O-N 2.99Å
100N59.3Low67.1Low98 Ų98133.8 Ų133.852%0.52464%0.643SS.*  trans-63.1126.5174.4-78.1-5.3000105.7R98 S102 D103R98-N100 PolarHBondContact O-N 3.09Å; N100-S102 PolarHBondContact O-N 3.13Å; N100-D103 PolarHBondContact O-N 2.97Å; N100-D103 VanDerWaalsContact O-N 3.09Å
101A60.5Low67.7Low90 Ų90137.2 Ų137.274%0.74465%0.652SS**G310 helixtrans-57.5-3.4176.800000113.8R99R99-A101 PolarHBondContact O-N 2.99Å
102S60.4Low68.1Low80 Ų80139.6 Ų139.656%0.55965%0.651SS**G310 helixtrans-77.1-15.3174.6-171.50000114.2N100 D104 E105N100-S102 PolarHBondContact O-N 3.13Å; S102-D104 PolarHBondContact O-N 3.31Å; S102-E105 WeakPolarHBondContact O-CB 3.38Å; S102-E105 PolarHBondContact O-N 2.95Å
103D61Low68.6Low115 Ų115135.8 Ų135.862%0.61564%0.64SS**G310 helixtrans-74.5-12.8178.5-159.829.7000112.3N100 E105N100-D103 PolarHBondContact O-N 2.97Å; N100-D103 VanDerWaalsContact O-N 3.09Å; D103-E105 VanDerWaalsContact C-N 3.28Å
104D65.9Low69.2Low122 Ų122139.2 Ų139.265%0.65265%0.653SS**G310 helixtrans-82.7-4.5174.3-67.1-33.3000113.1S102 Y106S102-D104 PolarHBondContact O-N 3.31Å; D104-Y106 VanDerWaalsContact C-N 3.29Å
105E72.8Confident69.6Low49 Ų49137.2 Ų137.223%0.22964%0.641CS.*G310 helixtrans-79.3-11.6176.6-173.179.7-107.600111.5S102 D103 R112 K113 K115S102-E105 WeakPolarHBondContact O-CB 3.38Å; S102-E105 PolarHBondContact O-N 2.95Å; D103-E105 VanDerWaalsContact C-N 3.28Å; E105-R112 HydrophobicContact CG-CG 3.93Å; E105-R112 CarbonylContact O-C 3.49Å; E105-R112 WeakPolarHBondContact O-CA 3.37Å; E105-K113 WeakPolarHBondContact O-CB 3.01Å; E105-K113 PolarHBondContact O-N 2.79Å; E105-K115 WeakPolarHBondContact OE1-CE 3.32Å; E105-K115 IonicContact OE1-NZ 3.69Å; E105-K115 WeakPolarHBondContact OE2-CE 3.46Å; E105-K115 IonicContact OE2-NZ 3.55Å; E105-K115 PolarHBondContact OE2-NZ 3.02Å
106Y79.7Confident70.1Confident113 Ų113138.4 Ų138.444%0.44365%0.649SS.*BIsolated β-bridgetrans-122.4138.4-178.6-62.2-87.8000111.2D104 G110 R111 R112D104-Y106 VanDerWaalsContact C-N 3.29Å; Y106-G110 WeakPolarHBondContact CD1-O 3.44Å; Y106-R111 CarbonylContact C-O 3.5Å; Y106-R111 VanDerWaalsContact CA-O 3.3Å; Y106-R111 WeakPolarHBondContact CA-O 3.32Å; Y106-R112 HydrophobicContact CD1-CB 4.06Å; Y106-R112 HydrophobicContact CD1-CG 4.42Å; Y106-R112 HydrophobicContact CE1-CB 3.74Å; Y106-R112 HydrophobicContact CE1-CG 3.92Å
107D83.5Confident70Confident56 Ų56138 Ų13830%0.29965%0.653SS.*  trans-70.2171.3172.577.62.7000111F109 G110 R111D107-F109 PolarHBondContact O-N 2.87Å; D107-F109 WeakPolarHBondContact OD1-CA 3.3Å; D107-F109 WeakPolarHBondContact OD1-CB 3.42Å; D107-F109 PolarHBondContact OD1-N 2.79Å; D107-G110 PolarHBondContact O-N 2.78Å; D107-G110 PolarHBondContact OD1-N 3.01Å; D107-G110 VanDerWaalsContact OD1-N 3.1Å; D107-R111 PolarHBondContact N-O 3.22Å; D107-R111 WeakPolarHBondContact OD1-CB 3.27Å; D107-R111 PolarHBondContact OD1-N 2.84Å; D107-R111 IonicContact OD1-NE 2.8Å; D107-R111 IonicContact OD2-CZ 3.46Å; D107-R111 IonicContact OD2-NE 3.92Å; D107-R111 PolarHBondContact OD2-NE 3.1Å; D107-R111 IonicContact OD2-NH2 2.97Å; D107-R111 PolarHBondContact OD2-NH2 2.95Å
108H81.8Confident69.8Low187 Ų187130.7 Ų130.787%0.86663%0.631SS**THydrogen-bonded Turntrans-59.3-17.3178.9-176.160.7000113.8
109F83.9Confident69.6Low164 Ų164127.4 Ų127.472%0.71962%0.624SS**THydrogen-bonded Turntrans-92.93.8175.9-65.9-85.8000112.6D107D107-F109 PolarHBondContact O-N 2.87Å; D107-F109 WeakPolarHBondContact OD1-CA 3.3Å; D107-F109 WeakPolarHBondContact OD1-CB 3.42Å; D107-F109 PolarHBondContact OD1-N 2.79Å
110G75.2Confident69.2Low52 Ų52120.2 Ų120.254%0.53661%0.608SS.*SBendtrans80.213.5-179.900000114.2Y106 D107Y106-G110 WeakPolarHBondContact CD1-O 3.44Å; D107-G110 PolarHBondContact O-N 2.78Å; D107-G110 PolarHBondContact OD1-N 3.01Å; D107-G110 VanDerWaalsContact OD1-N 3.1Å
111R80.9Confident68.9Low156 Ų156117.3 Ų117.359%0.58960%0.597SS**PPolyproline II helixtrans-91.2136.7178.8-62-180-64.4-154.4-3.2110.8Y106 D107 K113Y106-R111 CarbonylContact C-O 3.5Å; Y106-R111 VanDerWaalsContact CA-O 3.3Å; Y106-R111 WeakPolarHBondContact CA-O 3.32Å; D107-R111 PolarHBondContact N-O 3.22Å; D107-R111 WeakPolarHBondContact OD1-CB 3.27Å; D107-R111 PolarHBondContact OD1-N 2.84Å; D107-R111 IonicContact OD1-NE 2.8Å; D107-R111 IonicContact OD2-CZ 3.46Å; D107-R111 IonicContact OD2-NE 3.92Å; D107-R111 PolarHBondContact OD2-NE 3.1Å; D107-R111 IonicContact OD2-NH2 2.97Å; D107-R111 PolarHBondContact OD2-NH2 2.95Å; R111-K113 PolarHBondContact O-N 3.25Å
112R79.1Confident68.5Low186 Ų186120 Ų12070%0.70260%0.598SS**BIsolated β-bridgetrans-60.9121.9179.2-157.4166.963.7169.3-2110.1E105 Y106 K114E105-R112 HydrophobicContact CG-CG 3.93Å; E105-R112 CarbonylContact O-C 3.49Å; E105-R112 WeakPolarHBondContact O-CA 3.37Å; Y106-R112 HydrophobicContact CD1-CB 4.06Å; Y106-R112 HydrophobicContact CD1-CG 4.42Å; Y106-R112 HydrophobicContact CE1-CB 3.74Å; Y106-R112 HydrophobicContact CE1-CG 3.92Å; R112-K114 PolarHBondContact O-N 3.43Å
113K76.4Confident68Low140 Ų140124.8 Ų124.861%0.60960%0.604SS**PPolyproline II helixtrans-64.7123.1179.4-172.6176179.4179.20109E105 R111 K115E105-K113 WeakPolarHBondContact O-CB 3.01Å; E105-K113 PolarHBondContact O-N 2.79Å; R111-K113 PolarHBondContact O-N 3.25Å; K113-K115 PolarHBondContact O-N 2.81Å; K113-K115 VanDerWaalsContact O-N 3.1Å
114K75.7Confident67.5Low194 Ų194127.5 Ų127.584%0.84361%0.606SS**  trans-60.1115.2177.6-173169.6-177.5170.50109.9R112 T116R112-K114 PolarHBondContact O-N 3.43Å; K114-T116 PolarHBondContact O-N 3.21Å; K114-T116 VanDerWaalsContact O-N 3.11Å
115K69.4Low66.7Low145 Ų145128.6 Ų128.663%0.6361%0.612SS**  trans-65.8108.1173.2-65.3179.3-175.2-1770108.3E105 K113 N117E105-K115 WeakPolarHBondContact OE1-CE 3.32Å; E105-K115 IonicContact OE1-NZ 3.69Å; E105-K115 WeakPolarHBondContact OE2-CE 3.46Å; E105-K115 IonicContact OE2-NZ 3.55Å; E105-K115 PolarHBondContact OE2-NZ 3.02Å; K113-K115 PolarHBondContact O-N 2.81Å; K113-K115 VanDerWaalsContact O-N 3.1Å; K115-N117 PolarHBondContact O-N 2.72Å; K115-N117 VanDerWaalsContact O-N 3.13Å
116T69.5Low65.5Low122 Ų122132 Ų13275%0.74864%0.636SS**  trans-71.6105.4169.359.20000107.6K114 N118K114-T116 PolarHBondContact O-N 3.21Å; K114-T116 VanDerWaalsContact O-N 3.11Å; T116-N118 PolarHBondContact O-N 3.33Å
117N58.5Low63.5Low171 Ų171137.1 Ų137.191%0.91465%0.654SS**  trans-68.751.5170.6-88-21.9000111.6K115K115-N117 PolarHBondContact O-N 2.72Å; K115-N117 VanDerWaalsContact O-N 3.13Å
118N53.1Low61.2Low71 Ų71141.4 Ų141.438%0.3868%0.677SS.*  trans-105.567.6174.5-161.2-17.1000108.6T116 S120 A121T116-N118 PolarHBondContact O-N 3.33Å; N118-S120 PolarHBondContact O-N 2.81Å; N118-S120 VanDerWaalsContact OD1-C 3.25Å; N118-S120 WeakPolarHBondContact OD1-CA 2.83Å; N118-S120 WeakPolarHBondContact OD1-CB 3.49Å; N118-S120 PolarHBondContact OD1-N 2.76Å; N118-S120 PolarHBondContact OD1-OG 3Å; N118-A121 HydrophobicContact CB-CB 3.96Å; N118-A121 WeakPolarHBondContact ND2-CB 3.45Å; N118-A121 PolarHBondContact O-N 3.09Å; N118-A121 WeakPolarHBondContact OD1-CB 3.2Å; N118-A121 PolarHBondContact OD1-N 3.4Å
119E55.3Low59.2Low144 Ų144141.7 Ų141.767%0.67368%0.679SS**Hα-helixtrans-52.4-20.5166.8-159.9-167.8117.400111.1R123E119-R123 IonicContact OE1-NE 3.01Å; E119-R123 IonicContact OE1-NH2 3.5Å; E119-R123 PolarHBondContact OE1-NH2 3.28Å
120S51.8Low57.1Low70 Ų70138.3 Ų138.349%0.4968%0.675SS.*Hα-helixtrans-82.7-14.4178.4-210000114.3N118 R124N118-S120 PolarHBondContact O-N 2.81Å; N118-S120 VanDerWaalsContact OD1-C 3.25Å; N118-S120 WeakPolarHBondContact OD1-CA 2.83Å; N118-S120 WeakPolarHBondContact OD1-CB 3.49Å; N118-S120 PolarHBondContact OD1-N 2.76Å; N118-S120 PolarHBondContact OD1-OG 3Å; S120-R124 PolarHBondContact O-NE 3.16Å; S120-R124 PolarHBondContact O-NH2 3.34Å
121A52.6Low55.6Low37 Ų37142.2 Ų142.231%0.30669%0.691SS.*Hα-helixtrans-94.8-32.7-178.100000113.2N118 R123 R124N118-A121 HydrophobicContact CB-CB 3.96Å; N118-A121 WeakPolarHBondContact ND2-CB 3.45Å; N118-A121 PolarHBondContact O-N 3.09Å; N118-A121 WeakPolarHBondContact OD1-CB 3.2Å; N118-A121 PolarHBondContact OD1-N 3.4Å; A121-R123 VanDerWaalsContact C-N 3.34Å; A121-R124 PolarHBondContact O-N 3.34Å
122L52Low53.8Low145 Ų145139.6 Ų139.676%0.75970%0.697SS**Hα-helixtrans-73.9-23.5177.3-95.2149.7000113.4
123R51.1Low52.1Low182 Ų182135.5 Ų135.569%0.68770%0.697SS**THydrogen-bonded Turntrans-83.4-18175.9-61.7-178.5-176.6-93.36.1113.6E119 A121E119-R123 IonicContact OE1-NE 3.01Å; E119-R123 IonicContact OE1-NH2 3.5Å; E119-R123 PolarHBondContact OE1-NH2 3.28Å; A121-R123 VanDerWaalsContact C-N 3.34Å
124R49.5Very low50.6Low172 Ų172134.7 Ų134.765%0.64970%0.699SS**THydrogen-bonded Turntrans-85.1-15.7-178.2-86.8-176.8-85.8174.6-5.1114S120 A121S120-R124 PolarHBondContact O-NE 3.16Å; S120-R124 PolarHBondContact O-NH2 3.34Å; A121-R124 PolarHBondContact O-N 3.34Å
125N49Very low49.1Very low145 Ų145135.7 Ų135.778%0.77570%0.698SS**THydrogen-bonded Turntrans-99.911.9-178-66.211.2000113.7
126V46.8Very low48.2Very low121 Ų121134.2 Ų134.273%0.73371%0.706SS**SBendtrans-119.235.4-178.8-170.30000110.9
127R38.2Very low46.9Very low220 Ų220136.6 Ų136.683%0.8371%0.714SS**SBendtrans-138.9111.8169.5-72.1-174.7177.1-175.3-2.2108.8
128D35.3Very low46.1Very low145 Ų145131.6 Ų131.678%0.77570%0.702SS**  trans67.3121168.1-107.8-76.9000116.4
129E40.3Very low45.7Very low193 Ų193137 Ų13790%0.90272%0.722SS**  trans-164.175.4133.8-80.8-123.4101.700107.6
130S40.5Very low45.2Very low93 Ų93136.5 Ų136.565%0.6573%0.729SS**  trans-71.8142.6145.1-64.70000107.6S132S130-S132 PolarHBondContact O-N 3.1Å
131P42.2Very low44.9Very low134 Ų134135.9 Ų135.987%0.8773%0.734SS**  trans-81.5109.8-167.231.7-31.5000110.8
132S43.5Very low44.7Very low102 Ų102142 Ų14271%0.71376%0.761SS**  trans-153.1105.916063.50000112.9S130S130-S132 PolarHBondContact O-N 3.1Å
133S44.5Very low44.6Very low100 Ų100142.5 Ų142.570%0.69976%0.764SS**  trans58.7116137.463.90000121
134D44.1Very low44.4Very low122 Ų122140 Ų14065%0.65276%0.764SS**  73.2109.7128.3-79.5-67.7000120.5
135R44.7Very low44.5Very low216 Ų216143.1 Ų143.182%0.81578%0.776SS**  96.1116.2125.1-67.5169.5-168.1-169.2-0.1120.1
136S50.3Low44.7Very low114 Ų114144 Ų14480%0.79778%0.781SS**  98.493.8128.767.50000120.2
137N42.8Very low45Very low171 Ų171141.7 Ų141.791%0.91478%0.781SS**  57.4122.2113-165.662.5000122
138G41.4Very low45.7Very low66 Ų66138.1 Ų138.168%0.6878%0.779SS**  trans112.114415000000113.8
139K45Very low46.8Very low184 Ų184139 Ų13980%0.878%0.783SS**  cis177.5134.26.4146.7150.8-177.4157.50106.3
140V44.4Very low47.5Very low135 Ų135136.4 Ų136.482%0.81878%0.776SS**  trans53.6154.6153.3-56.50000120.3
141G44.1Very low48.5Very low57 Ų57139.5 Ų139.559%0.58879%0.785SS**  cis-153158.33.100000108.7
142L48.1Very low49.3Very low166 Ų166140.3 Ų140.387%0.86978%0.782SS**  58.792.979.5-86.2165.7000114.5
143D51.6Low49.8Very low155 Ų155142.6 Ų142.683%0.82979%0.786SS**  trans-151.1125.314850.1-71.9000111.8
144D46.9Very low50.5Low129 Ų129146.3 Ų146.369%0.6979%0.793SS**  trans-78.5158178.5-54.9-91.9000113.2
145R51.6Low51.1Low238 Ų238147.4 Ų147.490%0.89880%0.799SS**  trans164.5105.6149.9-88.9151.7-168.6-151.53.8109.1
146D52.8Low51.7Low163 Ų163144.1 Ų144.187%0.87280%0.797SS**  70.3131.777.6-73.2-43.4000115.3
147G51.8Low52Low72 Ų72145.7 Ų145.774%0.74280%0.797SS**  trans115.186.3173.400000112
148D54.3Low52.8Low145 Ų145145.2 Ų145.278%0.77579%0.794SS**  56.2105.970.4-127.9-7.1000111.9
149D58.6Low53.4Low164 Ų164146.9 Ų146.988%0.87780%0.795SS**  trans-168.6114.3144.4-96.3-35.9000108.2
150D54.8Low54.2Low138 Ų138145 Ų14574%0.73879%0.794SS**  trans-57.2140.5167.8-64.2-65.4000110.9
151D60.4Low55Low159 Ų159143.7 Ų143.785%0.8579%0.79SS**  trans-148.996.1156.9-92.3-40.5000108.9
152D59.3Low55.9Low150 Ų150145.8 Ų145.880%0.80279%0.788SS**  trans13.5120.7156.6-67.2-45.2000120.4
153D54.6Low56.7Low151 Ų151145 Ų14581%0.80778%0.784SS**  trans-70.6119.3158.1-65.9-57.8000110.4
154E58.2Low57.4Low178 Ų178142.1 Ų142.183%0.83278%0.782SS**  trans-118.192.5156.5-72.7-171.9172.100108.3D156E154-D156 PolarHBondContact O-N 2.8Å
155D56.6Low58.5Low145 Ų145143.5 Ų143.578%0.77578%0.782SS**  trans-73.297.3167.4-75.3-46.8000109.4D157D155-D157 PolarHBondContact O-N 3.11Å
156D57.4Low59.4Low147 Ų147139.7 Ų139.779%0.78677%0.769SS**  trans-8592.3165.7-85-32.9000110E154 D158E154-D156 PolarHBondContact O-N 2.8Å; D156-D158 VanDerWaalsContact C-N 3.34Å; D156-D158 PolarHBondContact O-N 3.31Å; D156-D158 VanDerWaalsContact O-N 3.16Å
157D58.3Low60Low147 Ų147138.8 Ų138.879%0.78676%0.764SS**  trans-80.568.8177.6-137.8-3.2000110.6D155 S159D155-D157 PolarHBondContact O-N 3.11Å; D157-S159 PolarHBondContact O-N 3.45Å
158D59.6Low60.6Low161 Ų161142.7 Ų142.786%0.86177%0.767SS**  trans-82.966172.1-85-33000111.2D156D156-D158 VanDerWaalsContact C-N 3.34Å; D156-D158 PolarHBondContact O-N 3.31Å; D156-D158 VanDerWaalsContact O-N 3.16Å
159S53.8Low61Low100 Ų100141.4 Ų141.470%0.69976%0.764SS**  trans-79133.4161.9171.90000109.5D157D157-S159 PolarHBondContact O-N 3.45Å
160D61.5Low61.1Low146 Ų146138.7 Ų138.778%0.78175%0.749SS**  trans100.714.1158.8-136.212.9000119.6
161S60.9Low61.3Low106 Ų106142.3 Ų142.374%0.74176%0.759SS**  trans-89.5123.5170.5-153.80000112.5
162D62.3Low61.1Low102 Ų102138.3 Ų138.355%0.54575%0.748SS.*  trans107.321.2154.5-57.81.5000119.6A164D162-A164 VanDerWaalsContact C-N 3.25Å
163L65.5Low61.1Low148 Ų148138.7 Ų138.778%0.77575%0.75SS**G310 helixtrans-74.4-16.8162.5-62.6-170.8000113.4K165L163-K165 VanDerWaalsContact C-N 3.27Å; L163-K165 PolarHBondContact O-N 3.28Å
164A65.8Low61.1Low96 Ų96138.5 Ų138.579%0.79374%0.744SS**G310 helixtrans-78.2-5.3174.700000114.1D162 Y166D162-A164 VanDerWaalsContact C-N 3.25Å; A164-Y166 PolarHBondContact O-N 3.13Å
165K70.3Confident61.1Low158 Ų158135.8 Ų135.869%0.68774%0.742SS**G310 helixtrans-68.3-21.1175.8-177.7170.1-178.51740112.9L163L163-K165 VanDerWaalsContact C-N 3.27Å; L163-K165 PolarHBondContact O-N 3.28Å
166Y70.3Confident61Low158 Ų158134.9 Ų134.962%0.6274%0.742SS**SBendtrans-104.3102.1179-59.1-82.4000108.3A164 L168A164-Y166 PolarHBondContact O-N 3.13Å; Y166-L168 PolarHBondContact O-N 2.77Å
167D65.7Low60.9Low144 Ų144135.6 Ų135.677%0.7775%0.745SS**  trans-64.384.3163.2-94.4-32.7000108.7V169D167-V169 PolarHBondContact O-N 3.49Å
168L63.8Low60.8Low153 Ų153133.7 Ų133.780%0.80174%0.739SS**  trans-81.519.1174.7-89.1158.7000112.1Y166Y166-L168 PolarHBondContact O-N 2.77Å
169V63.5Low60.4Low119 Ų119131.2 Ų131.272%0.72173%0.732SS**  trans-130.655.5-172.6-640000112.4D167D167-V169 PolarHBondContact O-N 3.49Å
170D59.8Low60Low106 Ų106134.6 Ų134.657%0.56774%0.742SS**  trans-142.525.4172.7-147.616.6000115.4
171F60.2Low59Low215 Ų215130.8 Ų130.894%0.94374%0.737SS**SBendtrans-104.15.6173-68.9-73.4000114.3
172A55.9Low58.4Low75 Ų75134.5 Ų134.562%0.6274%0.743SS**SBendtrans-103.9123.8169.400000108.4
173D59Low57.9Low157 Ų157137.1 Ų137.184%0.8475%0.751SS**  trans93.823.5164.9-54.7-24.3000120.8
174Q55.2Low57.4Low147 Ų147135.5 Ų135.569%0.68775%0.75SS**  trans-91.2120.4163.8-63.9-154.126.700112.8V176Q174-V176 PolarHBondContact O-N 3Å; Q174-V176 VanDerWaalsContact O-N 3.13Å
175P57.2Low56.9Low121 Ų121141 Ų14179%0.78676%0.756SS**  trans-68.4111.9176.428.3-32.7000109.4N177P175-N177 PolarHBondContact O-N 3.3Å
176V55Low55.9Low127 Ų127136.2 Ų136.277%0.7775%0.751SS**  trans-61106172.2-730000109.6Q174 V178Q174-V176 PolarHBondContact O-N 3Å; Q174-V176 VanDerWaalsContact O-N 3.13Å; V176-V178 VanDerWaalsContact C-N 3.28Å; V176-V178 HydrophobicContact CB-CG2 4.11Å; V176-V178 HydrophobicContact CG2-CG2 3.97Å; V176-V178 PolarHBondContact O-N 2.88Å
177N54.6Low55.1Low161 Ų161134.4 Ų134.486%0.86176%0.762SS**  trans-73.787.4168.7-157.4-15.6000107P175 P179P175-N177 PolarHBondContact O-N 3.3Å; N177-P179 VanDerWaalsContact O-CD 3.27Å; N177-P179 WeakPolarHBondContact O-CD 3.37Å
178V56.9Low54.3Low108 Ų108136 Ų13666%0.65577%0.769SS**  trans-80.7113.2-179.8-173.90000108.4V176 N180V176-V178 VanDerWaalsContact C-N 3.28Å; V176-V178 HydrophobicContact CB-CG2 4.11Å; V176-V178 HydrophobicContact CG2-CG2 3.97Å; V176-V178 PolarHBondContact O-N 2.88Å; V178-N180 PolarHBondContact O-N 2.96Å
179P50.4Low53.7Low109 Ų109136.7 Ų136.771%0.70877%0.773SS**  trans-70.5122.7174.528.9-31000109.4N177N177-P179 VanDerWaalsContact O-CD 3.27Å; N177-P179 WeakPolarHBondContact O-CD 3.37Å
180N46.5Very low53.1Low170 Ų170138.4 Ų138.491%0.90978%0.777SS**SBendtrans28.397.9154.9-72.5-26.4000116.8V178V178-N180 PolarHBondContact O-N 2.96Å
181G40.7Very low52.8Low66 Ų66142.3 Ų142.368%0.6879%0.789SS**  trans166.123.4163.400000120.3
182H48.4Very low52.5Low185 Ų185139.6 Ų139.686%0.85678%0.783SS**  trans-158.9112.9161-121.658.3000111.1
183Q50.3Low52.6Low156 Ų156144 Ų14473%0.72980%0.796SS**  trans-60.3127.7171-65.5-75.6-48.200108.6F185Q183-F185 PolarHBondContact O-N 3.2Å
184P57Low52.3Low114 Ų114145 Ų14574%0.7480%0.801SS**  trans-71.3112.8167.129.2-29.3000106.9G186P184-G186 PolarHBondContact O-N 2.75Å
185F54.1Low52.5Low213 Ų213145.8 Ų145.893%0.93481%0.808SS**  trans-71.362.9160.2-66.7-75.6000108.7Q183Q183-F185 PolarHBondContact O-N 3.2Å
186G50.5Low52.3Low56 Ų56143.8 Ų143.858%0.57781%0.81SS**  trans-93.4131.5162.100000108P184P184-G186 PolarHBondContact O-N 2.75Å
187S52Low52.5Low120 Ų120145.5 Ų145.584%0.83982%0.815SS**SBendtrans68.570158-170.60000117.2
188L50.1Low52.6Low177 Ų177143.9 Ų143.993%0.92782%0.816SS**  trans-142.3138.8146.4-92.5164.8000107.6
189L50.7Low52.5Low169 Ų169142.4 Ų142.489%0.88582%0.823SS**  trans92.651172.3-132.982.2000118
190L50.6Low52.7Low155 Ų155145.8 Ų145.881%0.81286%0.86SS**SBendtrans-123.5125.3145.9-159.273.5000108.6
191K54.4Low53Low188 Ų188144.6 Ų144.682%0.81786%0.857SS**  trans90.366.2171.9-53.9165179.6-179.20116.8
192L52Low53.6Low157 Ų157148.7 Ų148.782%0.82287%0.866SS**  trans-120.569.3150.1-146.585.7000109.2
193L58Low53.9Low169 Ų169146.7 Ų146.789%0.88587%0.867SS**  trans-143.523.8172.9-96.3176.4000113.4
194L53.5Low54.1Low178 Ų178146.1 Ų146.193%0.93288%0.875SS**  trans-133.263.7171.5-73.6166.2000109.4
195L59.6Low54Low162 Ų162148.1 Ų148.185%0.84888%0.883SS**  trans-94.5119.8157.8-84.5160.6000107N197L195-N197 PolarHBondContact O-N 3.5Å
196G53Low54Low80 Ų80143.8 Ų143.883%0.82588%0.88SS**  trans-50.9125.6-167.800000114.1
197N59.3Low54.2Low163 Ų163150.1 Ų150.187%0.87290%0.902SS**  trans-101.991.4153.3-166.752.5000106.7L195L195-N197 PolarHBondContact O-N 3.5Å
198S56Low54.4Low127 Ų127152.4 Ų152.489%0.88891%0.907SS**  trans-144.379.6165.5-70.90000106.9
199G56.2Low54.7Low77 Ų77150.3 Ų150.379%0.79491%0.905SS**  trans-122.196.9164.500000107.6
200A53.5Low55.1Low179 Ų179148.6 Ų148.6100%1.47991%0.907SS**  trans-1620157.300000106.8

Retrieved 200 of 200 residues in 138.8 ms (Link to these results)