A0A077ZD43_TRITR Loading...

WAP domain containing protein, SLPI-like

AlphaFold DB , UniProt , Accession A0A077ZD43, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 340 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
1M49.8Very low68.7Low230 Ų230123.5 Ų123.5100%1.13363%0.633SS**  0126.60-70.7-157.8171.700106.7
2L61.7Low70.5Confident102 Ų102123.3 Ų123.353%0.53463%0.634SS.*  trans-64.9135.2179.2-66.9167.3000109.5E6L2-E6 WeakPolarHBondContact CA-OE2 3.38Å; L2-E6 HydrophobicContact CB-CB 3.99Å; L2-E6 HydrophobicContact CD2-CB 4.16Å; L2-E6 HydrophobicContact CD2-CG 4.48Å; L2-E6 WeakPolarHBondContact CD2-OE2 3.47Å
3T77.8Confident72.3Confident80 Ų80114.2 Ų114.249%0.49159%0.587SS.*  trans-64.4159.7178.465.30000110.2E5 E6 R7T3-E5 PolarHBondContact O-N 2.73Å; T3-E5 VanDerWaalsContact O-N 3.16Å; T3-E6 PolarHBondContact N-OE2 3.04Å; T3-E6 PolarHBondContact O-N 3.13Å; T3-E6 WeakPolarHBondContact OG1-CG 3.44Å; T3-E6 PolarHBondContact OG1-N 3.42Å; T3-E6 PolarHBondContact OG1-OE2 3.13Å; T3-R7 PolarHBondContact O-N 3.26Å
4A76.4Confident73.9Confident90 Ų90120 Ų12074%0.74461%0.606SS**THydrogen-bonded Turntrans-58.5-28.6179.600000112.4R7A4-R7 PolarHBondContact O-N 3.38Å
5E69.5Low75.3Confident173 Ų173113.9 Ų113.981%0.80858%0.582SS**THydrogen-bonded Turntrans-71.1-38.6174.1-72.5-171120.700112.8T3 R7 K8T3-E5 PolarHBondContact O-N 2.73Å; T3-E5 VanDerWaalsContact O-N 3.16Å; E5-R7 PolarHBondContact O-N 3.42Å; E5-R7 VanDerWaalsContact O-N 3.15Å; E5-K8 PolarHBondContact O-N 3.43Å; E5-K8 VanDerWaalsContact O-N 3.07Å
6E65.7Low76.4Confident74 Ų74111.7 Ų111.735%0.34657%0.571SS.*THydrogen-bonded Turntrans-65.8-15.6176.4-72.6176.7128.300113.2L2 T3 K8L2-E6 WeakPolarHBondContact CA-OE2 3.38Å; L2-E6 HydrophobicContact CB-CB 3.99Å; L2-E6 HydrophobicContact CD2-CB 4.16Å; L2-E6 HydrophobicContact CD2-CG 4.48Å; L2-E6 WeakPolarHBondContact CD2-OE2 3.47Å; T3-E6 PolarHBondContact N-OE2 3.04Å; T3-E6 PolarHBondContact O-N 3.13Å; T3-E6 WeakPolarHBondContact OG1-CG 3.44Å; T3-E6 PolarHBondContact OG1-N 3.42Å; T3-E6 PolarHBondContact OG1-OE2 3.13Å; E6-K8 VanDerWaalsContact C-N 3.34Å
7R66.9Low77.4Confident187 Ų187115.1 Ų115.171%0.70658%0.584SS**THydrogen-bonded Turntrans-82.2-9.7174.8-65.2-174.7-176-171.3-0.5113.8T3 A4 E5 I9T3-R7 PolarHBondContact O-N 3.26Å; A4-R7 PolarHBondContact O-N 3.38Å; E5-R7 PolarHBondContact O-N 3.42Å; E5-R7 VanDerWaalsContact O-N 3.15Å; R7-I9 PolarHBondContact O-N 3.43Å
8K73Confident78.3Confident183 Ų183112.7 Ų112.780%0.79657%0.574SS**  trans-85.166.5177.7-142.6174.5-171.2-178.70109.4E5 E6 P10E5-K8 PolarHBondContact O-N 3.43Å; E5-K8 VanDerWaalsContact O-N 3.07Å; E6-K8 VanDerWaalsContact C-N 3.34Å; K8-P10 WeakPolarHBondContact O-CD 3.32Å
9I67.4Low78.9Confident81 Ų81107.3 Ų107.342%0.41555%0.547SS..  trans-63.8119.2176.4-67.3166.7000107.7R7 V11 C30R7-I9 PolarHBondContact O-N 3.43Å; I9-V11 PolarHBondContact O-N 3.1Å; I9-C30 HydrophobicContact CG2-CB 3.56Å
10P71.2Confident79.4Confident56 Ų56104.6 Ų104.636%0.36454%0.536SS..  trans-59.1125174.223.9-31000108.3K8 N12K8-P10 WeakPolarHBondContact O-CD 3.32Å; P10-N12 PolarHBondContact O-N 3.41Å
11V76.5Confident79.6Confident103 Ų103103 Ų10362%0.62454%0.54SS*.SBendtrans-73.73.6-171.6-163.80000112.3I9 Q28I9-V11 PolarHBondContact O-N 3.1Å; V11-Q28 CarbonylContact C-O 3.19Å
12N90.5Very high81.3Confident121 Ų121100 Ų10065%0.64752%0.52SS*.  trans-146.363.5-174.6-70.5-39000111.5P10 Q28P10-N12 PolarHBondContact O-N 3.41Å; N12-Q28 CarbonylContact C-O 3.6Å; N12-Q28 VanDerWaalsContact CA-O 3.23Å; N12-Q28 WeakPolarHBondContact CA-O 3.32Å; N12-Q28 PolarHBondContact N-O 3.43Å
13C93.1Very high82.7Confident4 Ų495.3 Ų95.33%0.02750%0.496CS..  trans-70.5148.9168.364.80000110.3D18 C25 Q28 R29 C30C13-D18 HydrophobicContact CB-CB 3.92Å; C13-C25 HydrophobicContact CB-CB 3.78Å; C13-C25 WeakPolarHBondContact CB-SG 3.36Å; C13-C25 PolarHBondContact O-SG 3.17Å; C13-C25 WeakPolarHBondContact SG-CA 3.37Å; C13-C25 WeakPolarHBondContact SG-CB 3.37Å; C13-C25 CovalentContact SG-SG 2.03Å; C13-C25 PolarHBondContact SG-SG 3.34Å; C13-Q28 PolarHBondContact N-O 3.36Å; C13-R29 PolarHBondContact SG-O 3.28Å; C13-C30 VanDerWaalsContact CB-SG 3.57Å
14K94.8Very high83.3Confident196 Ų19694.9 Ų94.985%0.85249%0.49SS*.SBendtrans-111.9-26172-66-174.6178.7-177.30112.1D18K14-D18 WeakPolarHBondContact CA-OD2 3.49Å; K14-D18 PolarHBondContact N-OD2 3.35Å
15A94.5Very high84.2Confident29 Ų2991.8 Ų91.824%0.2446%0.463CS..SBendtrans-142.7162.1177.100000110.9Q17 D18 C25A15-Q17 HydrophobicContact CB-CG 4.04Å; A15-Q17 PolarHBondContact O-N 3.46Å; A15-Q17 VanDerWaalsContact O-N 3.15Å; A15-D18 PolarHBondContact N-OD2 3.04Å; A15-D18 WeakPolarHBondContact O-CB 3.12Å; A15-D18 PolarHBondContact O-N 3.24Å; A15-C25 VanDerWaalsContact C-CB 3.49Å; A15-C25 WeakPolarHBondContact O-CB 3.33Å
16D93.9Very high85.4Confident78 Ų7886.1 Ų86.142%0.41744%0.442SS..G310 helixtrans-57.6-29.5179.7-66.6-16.3000113.3D18 C19 L24 C25D16-D18 VanDerWaalsContact C-N 3.25Å; D16-D18 PolarHBondContact O-N 3.42Å; D16-C19 WeakPolarHBondContact O-CB 3.5Å; D16-C19 PolarHBondContact O-N 3.24Å; D16-L24 WeakPolarHBondContact OD1-CA 3.41Å; D16-L24 WeakPolarHBondContact OD2-CD2 3.44Å; D16-C25 PolarHBondContact OD1-N 3.03Å
17Q93Very high86.7Confident169 Ų16991.4 Ų91.479%0.7947%0.467SS*.G310 helixtrans-70-18.9176.864.8-128.14.300114A15 C19A15-Q17 HydrophobicContact CB-CG 4.04Å; A15-Q17 PolarHBondContact O-N 3.46Å; A15-Q17 VanDerWaalsContact O-N 3.15Å; Q17-C19 PolarHBondContact O-N 3.41Å
18D93.1Very high87.9Confident73 Ų7388.5 Ų88.539%0.3946%0.461SS..G310 helixtrans-75.8-13.3174.7-56.1-36.3000111.2C13 K14 A15 D16C13-D18 HydrophobicContact CB-CB 3.92Å; K14-D18 WeakPolarHBondContact CA-OD2 3.49Å; K14-D18 PolarHBondContact N-OD2 3.35Å; A15-D18 PolarHBondContact N-OD2 3.04Å; A15-D18 WeakPolarHBondContact O-CB 3.12Å; A15-D18 PolarHBondContact O-N 3.24Å; D16-D18 VanDerWaalsContact C-N 3.25Å; D16-D18 PolarHBondContact O-N 3.42Å
19C91.3Very high88.8Confident9 Ų987.9 Ų87.96%0.06145%0.454CS..SBendtrans-88.5125.2-175.6-680000112.4D16 Q17 C30D16-C19 WeakPolarHBondContact O-CB 3.5Å; D16-C19 PolarHBondContact O-N 3.24Å; Q17-C19 PolarHBondContact O-N 3.41Å; C19-C30 WeakPolarHBondContact CA-SG 3.44Å; C19-C30 HydrophobicContact CB-CB 3.52Å; C19-C30 WeakPolarHBondContact CB-SG 3.48Å; C19-C30 WeakPolarHBondContact SG-CA 3.49Å; C19-C30 WeakPolarHBondContact SG-CB 3.49Å; C19-C30 CovalentContact SG-SG 2.03Å; C19-C30 PolarHBondContact SG-SG 3.09Å
20P87.4Confident90Very high53 Ų5384.6 Ų84.634%0.34444%0.438SS..G310 helixtrans-62.5156.2172.927.6-33.2000110.2K22 G23P20-K22 VanDerWaalsContact C-N 3.27Å; P20-K22 PolarHBondContact O-N 3.46Å; P20-G23 PolarHBondContact O-N 2.87Å
21A84.7Confident90.9Very high73 Ų7386.4 Ų86.460%0.60344%0.444SS*.G310 helixtrans58.431177.800000115.4G23A21-G23 PolarHBondContact O-N 3.36Å
22K85.5Confident91.5Very high167 Ų16785.2 Ų85.273%0.72645%0.445SS*.G310 helixtrans58.631.2-179.4-54177.2178.8177.80112.6P20 K33P20-K22 VanDerWaalsContact C-N 3.27Å; P20-K22 PolarHBondContact O-N 3.46Å; K22-K33 WeakPolarHBondContact O-CD 3.29Å; K22-K33 WeakPolarHBondContact O-CE 3.45Å; K22-K33 WeakPolarHBondContact O-CG 3.1Å; K22-K33 PolarHBondContact O-NZ 3.16Å; K22-K33 VanDerWaalsContact O-NZ 3.08Å
23G89.5Confident91.4Very high3 Ų385 Ų853%0.03144%0.438CS..  trans-59.3170.1173.300000113.1P20 A21 I31P20-G23 PolarHBondContact O-N 2.87Å; A21-G23 PolarHBondContact O-N 3.36Å; G23-I31 CarbonylContact C-O 3.49Å; G23-I31 WeakPolarHBondContact CA-O 3.34Å
24L92.3Very high91.1Very high70 Ų7087.9 Ų87.937%0.36647%0.468SS..EExtended strand (participates in β ladder)trans-103.6135.4169.3-64.1173000108.4D16 C30 I31 K33D16-L24 WeakPolarHBondContact OD1-CA 3.41Å; D16-L24 WeakPolarHBondContact OD2-CD2 3.44Å; L24-C30 WeakPolarHBondContact O-CA 3.4Å; L24-I31 PolarHBondContact N-O 3.47Å; L24-I31 PolarHBondContact O-N 2.81Å; L24-K33 HydrophobicContact CD1-CG 4.32Å; L24-K33 HydrophobicContact CD2-CG 4.45Å; L24-K33 HydrophobicContact CG-CG 3.92Å
25C94.7Very high90.6Very high25 Ų2585.5 Ų85.517%0.16947%0.47CS..EExtended strand (participates in β ladder)trans-84.6115.2175.1-1750000109.6C13 A15 D16C13-C25 HydrophobicContact CB-CB 3.78Å; C13-C25 WeakPolarHBondContact CB-SG 3.36Å; C13-C25 PolarHBondContact O-SG 3.17Å; C13-C25 WeakPolarHBondContact SG-CA 3.37Å; C13-C25 WeakPolarHBondContact SG-CB 3.37Å; C13-C25 CovalentContact SG-SG 2.03Å; C13-C25 PolarHBondContact SG-SG 3.34Å; A15-C25 VanDerWaalsContact C-CB 3.49Å; A15-C25 WeakPolarHBondContact O-CB 3.33Å; D16-C25 PolarHBondContact OD1-N 3.03Å
26C93.8Very high90.3Very high55 Ų5588.4 Ų88.437%0.37249%0.494SS..EExtended strand (participates in β ladder)trans-134.9126.1178.4-630000108.8Q28 R29 I31C26-Q28 VanDerWaalsContact C-N 3.26Å; C26-Q28 PolarHBondContact O-N 3.44Å; C26-R29 PolarHBondContact N-O 3.3Å; C26-R29 PolarHBondContact O-N 3.37Å; C26-I31 HydrophobicContact CB-CD1 3.47Å; C26-I31 VanDerWaalsContact CB-CD1 3.47Å; C26-I31 HydrophobicContact CB-CG1 4.07Å
27E93Very high89.9Confident185 Ų18588.8 Ų88.886%0.86451%0.508SS*.THydrogen-bonded Turntrans51.744.2179.3-57.8-178.9174.200113R29E27-R29 PolarHBondContact O-N 3.31Å
28Q92.3Very high89.7Confident125 Ų12583.3 Ų83.358%0.58449%0.487SS*.THydrogen-bonded Turntrans67.76.3-179.1-54.3175.5-19.700115.2V11 N12 C13 C26V11-Q28 CarbonylContact C-O 3.19Å; N12-Q28 CarbonylContact C-O 3.6Å; N12-Q28 VanDerWaalsContact CA-O 3.23Å; N12-Q28 WeakPolarHBondContact CA-O 3.32Å; N12-Q28 PolarHBondContact N-O 3.43Å; C13-Q28 PolarHBondContact N-O 3.36Å; C26-Q28 VanDerWaalsContact C-N 3.26Å; C26-Q28 PolarHBondContact O-N 3.44Å
29R91.8Very high89.7Confident170 Ų17088.9 Ų88.964%0.64251%0.508SS*.EExtended strand (participates in β ladder)trans-117.7141.5178.7-59.6179.2-174-153.81110.5C13 C26 E27 I31C13-R29 PolarHBondContact SG-O 3.28Å; C26-R29 PolarHBondContact N-O 3.3Å; C26-R29 PolarHBondContact O-N 3.37Å; E27-R29 PolarHBondContact O-N 3.31Å; R29-I31 PolarHBondContact O-N 3.03Å
30C92.1Very high89.7Confident13 Ų1391.5 Ų91.59%0.08853%0.53CS..EExtended strand (participates in β ladder)trans-79.5120.4171.5-59.70000110.4I9 C13 C19 L24I9-C30 HydrophobicContact CG2-CB 3.56Å; C13-C30 VanDerWaalsContact CB-SG 3.57Å; C19-C30 WeakPolarHBondContact CA-SG 3.44Å; C19-C30 HydrophobicContact CB-CB 3.52Å; C19-C30 WeakPolarHBondContact CB-SG 3.48Å; C19-C30 WeakPolarHBondContact SG-CA 3.49Å; C19-C30 WeakPolarHBondContact SG-CB 3.49Å; C19-C30 CovalentContact SG-SG 2.03Å; C19-C30 PolarHBondContact SG-SG 3.09Å; L24-C30 WeakPolarHBondContact O-CA 3.4Å
31I90.7Very high90Very high93 Ų9391.4 Ų91.448%0.47753%0.525SS..EExtended strand (participates in β ladder)trans-98.2131.8171.8-51.2-175.9000106.9G23 L24 C26 R29 K33G23-I31 CarbonylContact C-O 3.49Å; G23-I31 WeakPolarHBondContact CA-O 3.34Å; L24-I31 PolarHBondContact N-O 3.47Å; L24-I31 PolarHBondContact O-N 2.81Å; C26-I31 HydrophobicContact CB-CD1 3.47Å; C26-I31 VanDerWaalsContact CB-CD1 3.47Å; C26-I31 HydrophobicContact CB-CG1 4.07Å; R29-I31 PolarHBondContact O-N 3.03Å; I31-K33 PolarHBondContact O-N 2.75Å
32A89.1Confident90.4Very high78 Ų7896.5 Ų96.565%0.64554%0.536SS*.PPolyproline II helixtrans-57.3135.517200000108.9G34A32-G34 PolarHBondContact O-N 3.01Å
33K88.8Confident90.8Very high116 Ų11689.3 Ų89.350%0.50451%0.509SS..PPolyproline II helixtrans-54.7117169.6-85179.4-177153.60107.3K22 L24 I31K22-K33 WeakPolarHBondContact O-CD 3.29Å; K22-K33 WeakPolarHBondContact O-CE 3.45Å; K22-K33 WeakPolarHBondContact O-CG 3.1Å; K22-K33 PolarHBondContact O-NZ 3.16Å; K22-K33 VanDerWaalsContact O-NZ 3.08Å; L24-K33 HydrophobicContact CD1-CG 4.32Å; L24-K33 HydrophobicContact CD2-CG 4.45Å; L24-K33 HydrophobicContact CG-CG 3.92Å; I31-K33 PolarHBondContact O-N 2.75Å
34G85.7Confident91Very high65 Ų6594.7 Ų94.767%0.6753%0.532SS*.PPolyproline II helixtrans-51.1147.1177.100000109.4A32 A36A32-G34 PolarHBondContact O-N 3.01Å; G34-A36 PolarHBondContact O-N 3.12Å; G34-A36 VanDerWaalsContact O-N 3.15Å
35V85.9Confident91.1Very high146 Ų14693.9 Ų93.989%0.88553%0.531SS*.PPolyproline II helixtrans-51128.1171.4-178.80000107.1A37V35-A37 PolarHBondContact O-N 3.01Å; V35-A37 VanDerWaalsContact O-N 3.1Å
36A87.1Confident91Very high91 Ų9193.8 Ų93.875%0.75253%0.53SS*.PPolyproline II helixtrans-48.9124.9-179.100000108.9G34G34-A36 PolarHBondContact O-N 3.12Å; G34-A36 VanDerWaalsContact O-N 3.15Å
37A86.3Confident90.8Very high85 Ų8597.1 Ų97.170%0.70255%0.554SS**PPolyproline II helixtrans-52.2137.9-178.300000109.1V35 K39V35-A37 PolarHBondContact O-N 3.01Å; V35-A37 VanDerWaalsContact O-N 3.1Å; A37-K39 PolarHBondContact O-N 3.27Å
38P88.5Confident90.5Very high54 Ų5490.2 Ų90.235%0.35153%0.525SS..PPolyproline II helixtrans-55.3131.7179.723.2-32.3000109.3A40 N60 K62P38-A40 PolarHBondContact O-N 3.02Å; P38-N60 HydrophobicContact CG-CB 4.4Å; P38-K62 HydrophobicContact CB-CD 4Å; P38-K62 HydrophobicContact CB-CG 4.45Å
39K92.2Very high90.2Very high190 Ų19088.3 Ų88.383%0.82652%0.522SS*.PPolyproline II helixtrans-55.5117.9175.7-171177.3-179.1-1780108.6A37A37-K39 PolarHBondContact O-N 3.27Å
40A92.6Very high89.7Confident65 Ų6591.9 Ų91.954%0.53754%0.535SS..PPolyproline II helixtrans-65.6145.817800000110.3P38 D61P38-A40 PolarHBondContact O-N 3.02Å; A40-D61 WeakPolarHBondContact CA-OD2 3.07Å
41K93.8Very high89.4Confident51 Ų5195.6 Ų95.622%0.22255%0.554CS.*PPolyproline II helixtrans-70.8156.7172.3-73.3174.2-176.3179.50110.1D61 C64 A66 E68 K69K41-D61 HydrophobicContact CB-CB 4.31Å; K41-D61 HydrophobicContact CD-CB 4.12Å; K41-D61 WeakPolarHBondContact CE-O 3.32Å; K41-D61 HydrophobicContact CG-CB 4.03Å; K41-D61 PolarHBondContact N-OD2 3Å; K41-D61 PolarHBondContact NZ-O 3.48Å; K41-C64 PolarHBondContact NZ-O 3.14Å; K41-A66 WeakPolarHBondContact CE-O 3.42Å; K41-A66 PolarHBondContact NZ-O 3.05Å; K41-E68 WeakPolarHBondContact CD-O 3.46Å; K41-E68 WeakPolarHBondContact CE-O 3.03Å; K41-E68 PolarHBondContact NZ-O 2.79Å; K41-K69 HydrophobicContact CB-CD 4.45Å; K41-K69 HydrophobicContact CB-CG 3.98Å; K41-K69 WeakPolarHBondContact O-CE 3.37Å; K41-K69 PolarHBondContact O-NZ 3.26Å
42E92.9Very high89.3Confident180 Ų18098.2 Ų98.284%0.84157%0.569SS**SBendtrans-64.6151.9-178.6-66.7175.2-177.900112.6P82E42-P82 WeakPolarHBondContact O-CG 3.34Å
43G93.6Very high89.2Confident15 Ų1597.1 Ų97.116%0.15555%0.554CS.*SBendtrans89.9179.2-178.400000114.9K69G43-K69 PolarHBondContact O-NZ 3.36Å
44F93.5Very high89.2Confident117 Ų11796.5 Ų96.551%0.51356%0.56SS.*BIsolated β-bridgetrans-117.9143.7-176.1-65.4-76.3000111.9P82 K83 R85F44-P82 WeakPolarHBondContact O-CA 3.44Å; F44-K83 PolarHBondContact N-O 3.24Å; F44-K83 PolarHBondContact O-N 2.95Å; F44-R85 HydrophobicContact CD2-CG 3.92Å; F44-R85 HydrophobicContact CE2-CG 3.57Å; F44-R85 VanDerWaalsContact CE2-NE 3.34Å
45C94.9Very high89.5Confident53 Ų5396.9 Ų96.936%0.35855%0.549SS..PPolyproline II helixtrans-63.1143.4168.6-69.30000109.7S47 C71C45-S47 PolarHBondContact O-N 3.2Å; C45-C71 WeakPolarHBondContact CA-SG 3.47Å; C45-C71 HydrophobicContact CB-CB 3.65Å; C45-C71 WeakPolarHBondContact CB-SG 3.03Å; C45-C71 VanDerWaalsContact SG-CA 3.51Å; C45-C71 WeakPolarHBondContact SG-CB 3.49Å; C45-C71 CovalentContact SG-SG 2.03Å; C45-C71 PolarHBondContact SG-SG 3.33Å
46P91.3Very high90Very high22 Ų2298.9 Ų98.914%0.14354%0.541CS..PPolyproline II helixtrans-56.2138171.625.9-33.6000109.3T48 F73 V80P46-T48 PolarHBondContact O-N 3.23Å; P46-F73 HydrophobicContact CG-CD2 4.35Å; P46-V80 HydrophobicContact CG-CG1 4.07Å
47S90.4Very high90.5Very high126 Ų126100.8 Ų100.888%0.88153%0.534SS*.PPolyproline II helixtrans-60.3124.5174-171.50000108.9C45C45-S47 PolarHBondContact O-N 3.2Å
48T87.3Confident91Very high39 Ų3997 Ų9724%0.23950%0.502CS..  trans-127.6143.5175.265.90000109.8P46 R50 H72 F73P46-T48 PolarHBondContact O-N 3.23Å; T48-R50 PolarHBondContact O-N 3.05Å; T48-H72 VanDerWaalsContact CG2-O 3.23Å; T48-H72 WeakPolarHBondContact CG2-O 3.23Å; T48-H72 PolarHBondContact OG1-O 2.75Å; T48-F73 HydrophobicContact CG2-CD2 3.97Å
49T85.3Confident91.3Very high85 Ų85101.8 Ų101.852%0.52152%0.52SS..  trans-54.4133.3170-47.80000109.2L51T49-L51 VanDerWaalsContact C-N 3.34Å; T49-L51 PolarHBondContact O-N 3.49Å
50R81.6Confident91.4Very high245 Ų24596 Ų9693%0.92550%0.498SS*.  trans-67.493.5178.3-68.1-177.3178.3179.9-0.2108.8T48T48-R50 PolarHBondContact O-N 3.05Å
51L85.3Confident91.6Very high92 Ų9294 Ų9448%0.48248%0.478SS..PPolyproline II helixtrans-102.6159.7172.7-63.4173.1000109.8T49 V53 H72 R74T49-L51 VanDerWaalsContact C-N 3.34Å; T49-L51 PolarHBondContact O-N 3.49Å; L51-V53 PolarHBondContact O-N 3.33Å; L51-H72 PolarHBondContact O-CE1 3.31Å; L51-H72 PolarHBondContact O-NE2 2.96Å; L51-R74 HydrophobicContact CD1-CB 4.49Å
52N89.2Confident91.7Very high148 Ų14898.6 Ų98.679%0.79150%0.498SS*.PPolyproline II helixtrans-66.1126.4173.9-69.9-29.9000109.4T54N52-T54 PolarHBondContact O-N 3.02Å
53V86.7Confident91.8Very high54 Ų5494.5 Ų94.533%0.32748%0.482SS..PPolyproline II helixtrans-68.6117.9175.2-177.60000108.6L51 R56 H72 S75 I77L51-V53 PolarHBondContact O-N 3.33Å; V53-R56 HydrophobicContact CG1-CG 3.75Å; V53-H72 VanDerWaalsContact CG2-CD2 3.44Å; V53-H72 WeakPolarHBondContact CG2-CD2 3.18Å; V53-H72 WeakPolarHBondContact CG2-NE2 3.4Å; V53-S75 CarbonylContact C-O 3.6Å; V53-S75 WeakPolarHBondContact CA-O 3.33Å; V53-I77 HydrophobicContact CG1-CD1 3.85Å; V53-I77 HydrophobicContact CG1-CG1 3.77Å; V53-I77 HydrophobicContact CG2-CD1 3.85Å; V53-I77 HydrophobicContact CG2-CG1 3.98Å
54T89.8Confident92Very high103 Ų10394.1 Ų94.163%0.63248%0.477SS*.  trans-93.9-32.7173.354.50000111.8N52 S75N52-T54 PolarHBondContact O-N 3.02Å; T54-S75 PolarHBondContact N-O 3.05Å; T54-S75 PolarHBondContact OG1-O 2.99Å
55V92.5Very high92.1Very high73 Ų7392.5 Ų92.544%0.44248%0.478SS..EExtended strand (participates in β ladder)trans-140.4138.5-173175.70000110.5L76 I77V55-L76 HydrophobicContact CB-CD2 3.63Å; V55-L76 HydrophobicContact CG1-CD2 3.87Å; V55-L76 HydrophobicContact CG2-CD2 4.45Å; V55-L76 WeakPolarHBondContact O-CA 3.31Å; V55-I77 PolarHBondContact O-N 3.2Å
56R95.8Very high92Very high188 Ų18894.5 Ų94.571%0.70950%0.499SS*.EExtended strand (participates in β ladder)trans-120.7116178.7-57-170.8-179.4-170.90110.6V53 I77V53-R56 HydrophobicContact CG1-CG 3.75Å; R56-I77 HydrophobicContact CB-CB 4.43Å; R56-I77 HydrophobicContact CG-CB 4.35Å; R56-I77 HydrophobicContact CG-CD1 4.01Å; R56-I77 HydrophobicContact CG-CG1 4.45Å
57E96.5Very high92.1Very high132 Ų132102 Ų10262%0.61753%0.529SS*.SBendtrans-96.4-26.8176.3-59.3-178.3161.200112.2I77 T78E57-I77 WeakPolarHBondContact CB-O 3.4Å; E57-I77 PolarHBondContact N-O 2.96Å; E57-T78 WeakPolarHBondContact OE2-CB 2.97Å; E57-T78 PolarHBondContact OE2-OG1 3.13Å
58C96.8Very high92.3Very high5 Ų598.6 Ų98.63%0.03450%0.499CS..  trans-133.4153.2176.662.40000111N63 C70 I77 T78C58-N63 HydrophobicContact CB-CB 4.26Å; C58-C70 HydrophobicContact CB-CB 3.89Å; C58-C70 WeakPolarHBondContact CB-SG 3.27Å; C58-C70 PolarHBondContact O-SG 2.93Å; C58-C70 WeakPolarHBondContact SG-CA 3.48Å; C58-C70 WeakPolarHBondContact SG-CB 3.41Å; C58-C70 CovalentContact SG-SG 2.04Å; C58-C70 PolarHBondContact SG-SG 3.25Å; C58-I77 VanDerWaalsContact O-CG2 3.27Å; C58-I77 WeakPolarHBondContact O-CG2 3.02Å; C58-T78 VanDerWaalsContact SG-C 3.55Å
59E95Very high92.7Very high154 Ų15498 Ų9872%0.7249%0.493SS*.SBendtrans-105.6-33.4176.2-66.9-177164.200112.6
60N95.3Very high93.3Very high70 Ų7095 Ų9537%0.37448%0.475SS..SBendtrans-146.9160.3-176.3-67.3-64000110.1P38 K62 N63 C70P38-N60 HydrophobicContact CG-CB 4.4Å; N60-K62 PolarHBondContact O-N 3.36Å; N60-N63 WeakPolarHBondContact O-CB 3.38Å; N60-N63 PolarHBondContact O-N 3.36Å; N60-C70 VanDerWaalsContact C-CB 3.45Å
61D96.2Very high94Very high21 Ų2183.4 Ų83.411%0.11243%0.432CS..G310 helixtrans-53.3-28.7176-72.6-10.1000113.6A40 K41 N63 C64 K69 C70A40-D61 WeakPolarHBondContact CA-OD2 3.07Å; K41-D61 HydrophobicContact CB-CB 4.31Å; K41-D61 HydrophobicContact CD-CB 4.12Å; K41-D61 WeakPolarHBondContact CE-O 3.32Å; K41-D61 HydrophobicContact CG-CB 4.03Å; K41-D61 PolarHBondContact N-OD2 3Å; K41-D61 PolarHBondContact NZ-O 3.48Å; D61-N63 PolarHBondContact O-N 3.47Å; D61-C64 PolarHBondContact O-N 3.01Å; D61-K69 WeakPolarHBondContact OD1-CA 3.37Å; D61-K69 WeakPolarHBondContact OD1-CB 3.48Å; D61-K69 VanDerWaalsContact OD2-CE 3.27Å; D61-K69 WeakPolarHBondContact OD2-CE 3.04Å; D61-K69 IonicContact OD2-NZ 3.92Å; D61-C70 PolarHBondContact OD1-N 3.48Å
62K95.6Very high94.4Very high149 Ų14981.2 Ų81.265%0.64842%0.419SS*.G310 helixtrans-65.7-25.6178.2-67.3-176176.8-179.10113.3P38 N60 C64P38-K62 HydrophobicContact CB-CD 4Å; P38-K62 HydrophobicContact CB-CG 4.45Å; N60-K62 PolarHBondContact O-N 3.36Å; K62-C64 VanDerWaalsContact C-N 3.28Å
63N96.1Very high94.5Very high94 Ų9478.2 Ų78.250%0.50340%0.399SS..G310 helixtrans-78.7-18.1179.6-62.247.2000111.5C58 N60 D61C58-N63 HydrophobicContact CB-CB 4.26Å; N60-N63 WeakPolarHBondContact O-CB 3.38Å; N60-N63 PolarHBondContact O-N 3.36Å; D61-N63 PolarHBondContact O-N 3.47Å
64C96.9Very high94.6Very high7 Ų783.5 Ų83.55%0.04741%0.413CS..SBendtrans-84.9139.9179.6-64.20000111.4K41 D61 K62 E68 C79K41-C64 PolarHBondContact NZ-O 3.14Å; D61-C64 PolarHBondContact O-N 3.01Å; K62-C64 VanDerWaalsContact C-N 3.28Å; C64-E68 HydrophobicContact CB-CB 3.91Å; C64-E68 VanDerWaalsContact CB-O 3.32Å; C64-E68 WeakPolarHBondContact CB-O 3.48Å; C64-C79 WeakPolarHBondContact CA-SG 3.41Å; C64-C79 HydrophobicContact CB-CB 3.65Å; C64-C79 WeakPolarHBondContact CB-SG 3.33Å; C64-C79 WeakPolarHBondContact SG-CA 2.99Å; C64-C79 WeakPolarHBondContact SG-CB 3.42Å; C64-C79 CovalentContact SG-SG 2.04Å; C64-C79 PolarHBondContact SG-SG 3.19Å
65P96.2Very high94.7Very high83 Ų8380.7 Ų80.754%0.53940%0.398SS..SBendtrans-66.9155.5177.228.8-33.5000111.5K67 E68P65-K67 PolarHBondContact O-N 3.32Å; P65-E68 WeakPolarHBondContact CG-OE2 3.4Å; P65-E68 WeakPolarHBondContact O-CB 3.43Å; P65-E68 PolarHBondContact O-N 3.17Å
66A92.3Very high94.7Very high95 Ų9580 Ų8079%0.78539%0.391SS*.THydrogen-bonded Turntrans48.5-125.2172.800000114.1K41K41-A66 WeakPolarHBondContact CE-O 3.42Å; K41-A66 PolarHBondContact NZ-O 3.05Å
67K92.5Very high94.8Very high179 Ų17972.6 Ų72.678%0.77837%0.365SS*.THydrogen-bonded Turntrans-96.99.1-175.8-62.1-176.6-179.6-177.50113.7P65 P82P65-K67 PolarHBondContact O-N 3.32Å; K67-P82 WeakPolarHBondContact O-CD 3.45Å; K67-P82 WeakPolarHBondContact O-CG 3.47Å
68E95.6Very high94.8Very high54 Ų5467.7 Ų67.725%0.25235%0.345SS..  trans-77147.8-178.9-65176.3172.500112K41 C64 P65 C79 V80 I81K41-E68 WeakPolarHBondContact CD-O 3.46Å; K41-E68 WeakPolarHBondContact CE-O 3.03Å; K41-E68 PolarHBondContact NZ-O 2.79Å; C64-E68 HydrophobicContact CB-CB 3.91Å; C64-E68 VanDerWaalsContact CB-O 3.32Å; C64-E68 WeakPolarHBondContact CB-O 3.48Å; P65-E68 WeakPolarHBondContact CG-OE2 3.4Å; P65-E68 WeakPolarHBondContact O-CB 3.43Å; P65-E68 PolarHBondContact O-N 3.17Å; E68-C79 HydrophobicContact CB-CB 4.19Å; E68-C79 WeakPolarHBondContact OE2-CB 3.01Å; E68-V80 WeakPolarHBondContact CA-O 3.38Å; E68-I81 HydrophobicContact CG-CG1 4.04Å
69K96.5Very high94.8Very high26 Ų2669.1 Ų69.111%0.11335%0.354CS..EExtended strand (participates in β ladder)trans-107.8148.7177.3-68.4-170.568.6152.60110.7K41 G43 D61 C71 C79 V80 P82K41-K69 HydrophobicContact CB-CD 4.45Å; K41-K69 HydrophobicContact CB-CG 3.98Å; K41-K69 WeakPolarHBondContact O-CE 3.37Å; K41-K69 PolarHBondContact O-NZ 3.26Å; G43-K69 PolarHBondContact O-NZ 3.36Å; D61-K69 WeakPolarHBondContact OD1-CA 3.37Å; D61-K69 WeakPolarHBondContact OD1-CB 3.48Å; D61-K69 VanDerWaalsContact OD2-CE 3.27Å; D61-K69 WeakPolarHBondContact OD2-CE 3.04Å; D61-K69 IonicContact OD2-NZ 3.92Å; K69-C71 VanDerWaalsContact CB-SG 3.58Å; K69-C71 PolarHBondContact O-N 2.93Å; K69-C79 WeakPolarHBondContact O-CA 3.46Å; K69-V80 PolarHBondContact N-O 3.45Å; K69-V80 PolarHBondContact O-N 3.21Å; K69-P82 HydrophobicContact CD-CB 3.69Å; K69-P82 HydrophobicContact CD-CG 4.21Å; K69-P82 HydrophobicContact CG-CB 3.95Å; K69-P82 HydrophobicContact CG-CG 4.08Å
70C97.1Very high94.8Very high22 Ų2263.3 Ų63.315%0.14933%0.329CS..EExtended strand (participates in β ladder)trans-80.7101.3174.6-173.30000108.6C58 N60 D61 I77C58-C70 HydrophobicContact CB-CB 3.89Å; C58-C70 WeakPolarHBondContact CB-SG 3.27Å; C58-C70 PolarHBondContact O-SG 2.93Å; C58-C70 WeakPolarHBondContact SG-CA 3.48Å; C58-C70 WeakPolarHBondContact SG-CB 3.41Å; C58-C70 CovalentContact SG-SG 2.04Å; C58-C70 PolarHBondContact SG-SG 3.25Å; N60-C70 VanDerWaalsContact C-CB 3.45Å; D61-C70 PolarHBondContact OD1-N 3.48Å; C70-I77 WeakPolarHBondContact SG-CG2 3.46Å
71C95.9Very high94.8Very high2 Ų266 Ų661%0.01434%0.342CS..EExtended strand (participates in β ladder)trans-118150.2-168.8-65.60000111.3C45 K69 F73 I77 T78 V80C45-C71 WeakPolarHBondContact CA-SG 3.47Å; C45-C71 HydrophobicContact CB-CB 3.65Å; C45-C71 WeakPolarHBondContact CB-SG 3.03Å; C45-C71 VanDerWaalsContact SG-CA 3.51Å; C45-C71 WeakPolarHBondContact SG-CB 3.49Å; C45-C71 CovalentContact SG-SG 2.03Å; C45-C71 PolarHBondContact SG-SG 3.33Å; K69-C71 VanDerWaalsContact CB-SG 3.58Å; K69-C71 PolarHBondContact O-N 2.93Å; C71-F73 PolarHBondContact O-N 3.33Å; C71-I77 WeakPolarHBondContact O-CA 3.27Å; C71-T78 PolarHBondContact N-O 2.82Å; C71-T78 PolarHBondContact O-N 3.29Å; C71-V80 HydrophobicContact CB-CB 4.19Å; C71-V80 HydrophobicContact CB-CG2 4.09Å
72H94.7Very high94.7Very high47 Ų4766 Ų6622%0.21834%0.343CS..EExtended strand (participates in β ladder)trans-73.3123.1166-162.7-112.7000108.8T48 L51 V53 R74T48-H72 VanDerWaalsContact CG2-O 3.23Å; T48-H72 WeakPolarHBondContact CG2-O 3.23Å; T48-H72 PolarHBondContact OG1-O 2.75Å; L51-H72 PolarHBondContact O-CE1 3.31Å; L51-H72 PolarHBondContact O-NE2 2.96Å; V53-H72 VanDerWaalsContact CG2-CD2 3.44Å; V53-H72 WeakPolarHBondContact CG2-CD2 3.18Å; V53-H72 WeakPolarHBondContact CG2-NE2 3.4Å; H72-R74 PolarHBondContact CE1-O 3.42Å; H72-R74 PolarHBondContact NE2-O 3.46Å
73F91.3Very high94.4Very high84 Ų8464.8 Ų64.837%0.36834%0.338SS..EExtended strand (participates in β ladder)trans-133104177.3-164-103.4000110.3P46 T48 C71 S75 L76 T78 V80P46-F73 HydrophobicContact CG-CD2 4.35Å; T48-F73 HydrophobicContact CG2-CD2 3.97Å; C71-F73 PolarHBondContact O-N 3.33Å; F73-S75 PolarHBondContact O-N 2.99Å; F73-L76 CarbonylContact C-O 3.59Å; F73-L76 PolarHBondContact N-O 3.41Å; F73-L76 WeakPolarHBondContact O-CB 3.39Å; F73-L76 PolarHBondContact O-N 3.31Å; F73-T78 HydrophobicContact CB-CG2 3.99Å; F73-V80 HydrophobicContact CB-CG2 4.41Å
74R87.9Confident93.8Very high166 Ų16664 Ų6463%0.62635%0.345SS*.THydrogen-bonded Turntrans57.2-115.4-172.2-57.9179.1173-179.7-2.9110.9L51 H72L51-R74 HydrophobicContact CD1-CB 4.49Å; H72-R74 PolarHBondContact CE1-O 3.42Å; H72-R74 PolarHBondContact NE2-O 3.46Å
75S91.3Very high92.2Very high43 Ų4370.7 Ų70.730%0.30137%0.369SS..THydrogen-bonded Turntrans-95.84.5177.749.90000113.3V53 T54 F73V53-S75 CarbonylContact C-O 3.6Å; V53-S75 WeakPolarHBondContact CA-O 3.33Å; T54-S75 PolarHBondContact N-O 3.05Å; T54-S75 PolarHBondContact OG1-O 2.99Å; F73-S75 PolarHBondContact O-N 2.99Å
76L94.2Very high90.2Very high60 Ų6074.7 Ų74.731%0.31438%0.382SS..EExtended strand (participates in β ladder)trans-114.8147.4-173.4-68.4144.3000110.6V55 F73V55-L76 HydrophobicContact CB-CD2 3.63Å; V55-L76 HydrophobicContact CG1-CD2 3.87Å; V55-L76 HydrophobicContact CG2-CD2 4.45Å; V55-L76 WeakPolarHBondContact O-CA 3.31Å; F73-L76 CarbonylContact C-O 3.59Å; F73-L76 PolarHBondContact N-O 3.41Å; F73-L76 WeakPolarHBondContact O-CB 3.39Å; F73-L76 PolarHBondContact O-N 3.31Å
77I96Very high88.3Confident31 Ų3173.5 Ų73.516%0.15937%0.372CS..EExtended strand (participates in β ladder)trans-103.9109.6161.6-65.2179.3000107.2V53 V55 R56 E57 C58 C70 C71V53-I77 HydrophobicContact CG1-CD1 3.85Å; V53-I77 HydrophobicContact CG1-CG1 3.77Å; V53-I77 HydrophobicContact CG2-CD1 3.85Å; V53-I77 HydrophobicContact CG2-CG1 3.98Å; V55-I77 PolarHBondContact O-N 3.2Å; R56-I77 HydrophobicContact CB-CB 4.43Å; R56-I77 HydrophobicContact CG-CB 4.35Å; R56-I77 HydrophobicContact CG-CD1 4.01Å; R56-I77 HydrophobicContact CG-CG1 4.45Å; E57-I77 WeakPolarHBondContact CB-O 3.4Å; E57-I77 PolarHBondContact N-O 2.96Å; C58-I77 VanDerWaalsContact O-CG2 3.27Å; C58-I77 WeakPolarHBondContact O-CG2 3.02Å; C70-I77 WeakPolarHBondContact SG-CG2 3.46Å; C71-I77 WeakPolarHBondContact O-CA 3.27Å
78T96.9Very high86.5Confident30 Ų3071 Ų7118%0.18437%0.368CS..EExtended strand (participates in β ladder)trans-138.5165.7-172.9-171.80000111.5E57 C58 C71 F73 V80E57-T78 WeakPolarHBondContact OE2-CB 2.97Å; E57-T78 PolarHBondContact OE2-OG1 3.13Å; C58-T78 VanDerWaalsContact SG-C 3.55Å; C71-T78 PolarHBondContact N-O 2.82Å; C71-T78 PolarHBondContact O-N 3.29Å; F73-T78 HydrophobicContact CB-CG2 3.99Å; T78-V80 HydrophobicContact CG2-CG2 3.82Å
79C97.4Very high84.6Confident34 Ų3474.4 Ų74.423%0.2339%0.388CS..EExtended strand (participates in β ladder)trans-79.5119.3177.5-64.20000110.1C64 E68 K69C64-C79 WeakPolarHBondContact CA-SG 3.41Å; C64-C79 HydrophobicContact CB-CB 3.65Å; C64-C79 WeakPolarHBondContact CB-SG 3.33Å; C64-C79 WeakPolarHBondContact SG-CA 2.99Å; C64-C79 WeakPolarHBondContact SG-CB 3.42Å; C64-C79 CovalentContact SG-SG 2.04Å; C64-C79 PolarHBondContact SG-SG 3.19Å; E68-C79 HydrophobicContact CB-CB 4.19Å; E68-C79 WeakPolarHBondContact OE2-CB 3.01Å; K69-C79 WeakPolarHBondContact O-CA 3.46Å
80V95.6Very high82.8Confident32 Ų3285.2 Ų85.219%0.19443%0.428CS..EExtended strand (participates in β ladder)trans-126.4140.8-177.7-172.90000109.4P46 E68 K69 C71 F73 T78 P82P46-V80 HydrophobicContact CG-CG1 4.07Å; E68-V80 WeakPolarHBondContact CA-O 3.38Å; K69-V80 PolarHBondContact N-O 3.45Å; K69-V80 PolarHBondContact O-N 3.21Å; C71-V80 HydrophobicContact CB-CB 4.19Å; C71-V80 HydrophobicContact CB-CG2 4.09Å; F73-V80 HydrophobicContact CB-CG2 4.41Å; T78-V80 HydrophobicContact CG2-CG2 3.82Å; V80-P82 WeakPolarHBondContact O-CD 3.13Å; V80-P82 VanDerWaalsContact O-N 3.17Å
81I94Very high80.9Confident126 Ų12686.5 Ų86.565%0.64644%0.444SS*.  trans-61.9117.9171.3-61.2173.8000107.7E68E68-I81 HydrophobicContact CG-CG1 4.04Å
82P93.9Very high79.1Confident21 Ų2193.4 Ų93.414%0.13648%0.481CS..  trans-64.5146.1-178.127.7-34.8000109.8E42 F44 K67 K69 V80 A84E42-P82 WeakPolarHBondContact O-CG 3.34Å; F44-P82 WeakPolarHBondContact O-CA 3.44Å; K67-P82 WeakPolarHBondContact O-CD 3.45Å; K67-P82 WeakPolarHBondContact O-CG 3.47Å; K69-P82 HydrophobicContact CD-CB 3.69Å; K69-P82 HydrophobicContact CD-CG 4.21Å; K69-P82 HydrophobicContact CG-CB 3.95Å; K69-P82 HydrophobicContact CG-CG 4.08Å; V80-P82 WeakPolarHBondContact O-CD 3.13Å; V80-P82 VanDerWaalsContact O-N 3.17Å; P82-A84 PolarHBondContact O-N 3.34Å
83K91.2Very high77.5Confident124 Ų12495.4 Ų95.454%0.53951%0.506SS..BIsolated β-bridgetrans-65.6111.2162.7-68.3-172.6176.8-175.70105.7F44 R85F44-K83 PolarHBondContact N-O 3.24Å; F44-K83 PolarHBondContact O-N 2.95Å; K83-R85 PolarHBondContact O-N 3.03Å
84A82.8Confident76.2Confident78 Ų7898.9 Ų98.965%0.64553%0.528SS*.  trans-48.2143.1164.600000106.8P82 M86P82-A84 PolarHBondContact O-N 3.34Å; A84-M86 PolarHBondContact O-N 3.4Å
85R63.2Low74.9Confident147 Ų14795 Ų9556%0.55553%0.532SS*.  trans-56.496.6178-64.2-161.4170.4175.2-2.1107.8F44 K83 A87 D88F44-R85 HydrophobicContact CD2-CG 3.92Å; F44-R85 HydrophobicContact CE2-CG 3.57Å; F44-R85 VanDerWaalsContact CE2-NE 3.34Å; K83-R85 PolarHBondContact O-N 3.03Å; R85-A87 PolarHBondContact O-N 3.35Å; R85-A87 VanDerWaalsContact O-N 3.1Å; R85-D88 IonicContact NH1-OD2 2.85Å
86M53.8Low73.4Confident167 Ų167100.8 Ų100.882%0.82356%0.559SS**SBendtrans-58.1113.5155.9-66.4178.9168.700102.9A84A84-M86 PolarHBondContact O-N 3.4Å
87A53.5Low72Confident70 Ų70103 Ų10358%0.57958%0.577SS**  trans81.476.6-17800000117.4R85R85-A87 PolarHBondContact O-N 3.35Å; R85-A87 VanDerWaalsContact O-N 3.1Å
88D53.9Low70.3Confident128 Ų128106.3 Ų106.368%0.68461%0.609SS**  -111.728.4109.9-76-48.2000110.2R85 R90R85-D88 IonicContact NH1-OD2 2.85Å; D88-R90 PolarHBondContact O-N 2.95Å
89D54.7Low68.4Low124 Ų124107.6 Ų107.666%0.66363%0.627SS**  trans-62.559.1166.2-82.7-59.7000112.2
90R59.3Low66.4Low254 Ų254114 Ų11496%0.95866%0.658SS**SBendtrans-115.412.2158-82.1-167.2-166.51695.8112.8D88D88-R90 PolarHBondContact O-N 2.95Å
91G56.9Low64.4Low48 Ų48119.1 Ų119.150%0.49568%0.684SS.*SBendtrans-164.5127.2171.800000111.4
92D59.3Low62.7Low147 Ų147121 Ų12179%0.78669%0.687SS**  trans79.763.3170.1-47.1-45.9000117.1D94D92-D94 PolarHBondContact O-N 3.02Å
93A61.5Low61Low89 Ų89126.8 Ų126.874%0.73672%0.718SS**THydrogen-bonded Turntrans-6713.7166.100000114.8
94D62.7Low59.4Low157 Ų157125 Ų12584%0.8472%0.717SS**THydrogen-bonded Turntrans-110.711.5-169.6-71-47.3000115.1D92D92-D94 PolarHBondContact O-N 3.02Å
95A60.3Low58.2Low86 Ų86128.9 Ų128.971%0.71172%0.722SS**  trans-135.253.8-179.100000114.2P97A95-P97 VanDerWaalsContact O-CD 3.32Å; A95-P97 WeakPolarHBondContact O-CD 3.47Å
96L61.2Low57.8Low164 Ų164131.5 Ų131.586%0.85973%0.732SS**  trans-73.4116.1157.2-103.6148000108.3A98L96-A98 PolarHBondContact O-N 3.01Å
97P63.4Low58.1Low107 Ų107128.1 Ų128.170%0.69572%0.72SS**  trans-65.2111.7171.826.2-31.6000108.3A95 G99A95-P97 VanDerWaalsContact O-CD 3.32Å; A95-P97 WeakPolarHBondContact O-CD 3.47Å; P97-G99 PolarHBondContact O-N 3.1Å
98A60.6Low58.4Low100 Ų100132 Ų13283%0.82673%0.726SS**THydrogen-bonded Turntrans-63.122.8176.200000114.5L96L96-A98 PolarHBondContact O-N 3.01Å
99G58.3Low58.9Low56 Ų56132.5 Ų132.558%0.57773%0.725SS**THydrogen-bonded Turntrans-109.9-6.6-171.400000115.9P97P97-G99 PolarHBondContact O-N 3.1Å
100L54.4Low59.5Low168 Ų168130 Ų13088%0.8872%0.717SS**SBendtrans-112.423.3-171.2-137.688.8000115.1
101L53.8Low60Low140 Ų140121 Ų12173%0.73369%0.693SS**  trans-135.236.6179.1-133.6117.1000112.2
102K57.4Low60.8Low165 Ų165124.4 Ų124.472%0.71770%0.699SS**SBendtrans-102.12.6178.7-70.8-171.2177.8-176.90115.1
103D58.8Low61.6Low144 Ų144122.6 Ų122.677%0.7769%0.689SS**SBendtrans-112.1-0.3179.6-66.3-44.2000114.4
104T57.1Low62.2Low87 Ų87123.6 Ų123.653%0.53468%0.681SS.*SBendtrans-88-16.3177.826.80000114.7R106T104-R106 VanDerWaalsContact C-N 3.3Å; T104-R106 PolarHBondContact O-N 2.74Å
105E57.7Low62.9Low159 Ų159120 Ų12074%0.74366%0.664SS**Hα-helixtrans-78-13177.3-67.5-173.7126.500113.3
106R55.1Low63.8Low202 Ų202122 Ų12276%0.76266%0.659SS**Hα-helixtrans-81.8-16178.9-144.7176.7-157176.36114.4T104 S110T104-R106 VanDerWaalsContact C-N 3.3Å; T104-R106 PolarHBondContact O-N 2.74Å; R106-S110 PolarHBondContact O-OG 2.91Å
107V60Low64.5Low95 Ų95118.7 Ų118.758%0.57664%0.639SS**Hα-helixtrans-86.3-27.2-179.5-173.10000111.4S111V107-S111 PolarHBondContact O-N 3.03Å; V107-S111 PolarHBondContact O-OG 2.79Å
108E60.6Low65.1Low151 Ų151119.1 Ų119.171%0.70664%0.635SS**Hα-helixtrans-74.2-36.3173.7-74.2-143.212200112.8S110 S111 L112E108-S110 VanDerWaalsContact C-N 3.32Å; E108-S110 PolarHBondContact O-N 2.56Å; E108-S111 PolarHBondContact O-N 2.73Å; E108-S111 VanDerWaalsContact O-N 3.17Å; E108-L112 PolarHBondContact O-N 2.94Å; E108-L112 VanDerWaalsContact O-N 3.16Å
109E63.7Low65.9Low140 Ų140122.2 Ų122.265%0.65463%0.63SS**Hα-helixtrans-64.8-35.4174.5-79-167.813600112.8S111 L113E109-S111 VanDerWaalsContact C-N 3.27Å; E109-S111 PolarHBondContact O-N 2.85Å; E109-L113 PolarHBondContact O-N 3Å
110S67.9Low66.7Low71 Ų71125.9 Ų125.950%0.49763%0.63SS.*Hα-helixtrans-69.4-27.7176.4-61.60000112.3R106 E108R106-S110 PolarHBondContact O-OG 2.91Å; E108-S110 VanDerWaalsContact C-N 3.32Å; E108-S110 PolarHBondContact O-N 2.56Å
111S69.6Low67.4Low65 Ų65123.2 Ų123.246%0.45562%0.62SS.*Hα-helixtrans-79.1-34.3179.8-55.90000112.2V107 E108 E109 I114 V115V107-S111 PolarHBondContact O-N 3.03Å; V107-S111 PolarHBondContact O-OG 2.79Å; E108-S111 PolarHBondContact O-N 2.73Å; E108-S111 VanDerWaalsContact O-N 3.17Å; E109-S111 VanDerWaalsContact C-N 3.27Å; E109-S111 PolarHBondContact O-N 2.85Å; S111-I114 PolarHBondContact O-N 2.04Å; S111-V115 PolarHBondContact O-N 3.23Å
112L73.1Confident67.8Low119 Ų119124.3 Ų124.362%0.62362%0.622SS**Hα-helixtrans-69.7-32.3176.8-81.9165.7000113.3E108 V115 Q116E108-L112 PolarHBondContact O-N 2.94Å; E108-L112 VanDerWaalsContact O-N 3.16Å; L112-V115 PolarHBondContact O-N 3.36Å; L112-Q116 PolarHBondContact O-N 3.05Å; L112-Q116 VanDerWaalsContact O-N 3.1Å
113L76.2Confident67.6Low109 Ų109121.5 Ų121.557%0.57162%0.62SS**Hα-helixtrans-65.1-36.2175.6-103.5157.4000112.7E109 Q116 E117E109-L113 PolarHBondContact O-N 3Å; L113-Q116 PolarHBondContact O-N 2.89Å; L113-E117 PolarHBondContact O-N 2.89Å; L113-E117 VanDerWaalsContact O-N 3.13Å
114I75Confident67.7Low111 Ų111122.3 Ų122.357%0.56962%0.624SS**Hα-helixtrans-68.7-37.5177.2-61.1171.3000110.9S111 L118S111-I114 PolarHBondContact O-N 2.04Å; I114-L118 HydrophobicContact CG2-CD1 4.19Å; I114-L118 WeakPolarHBondContact O-CG 3.47Å; I114-L118 PolarHBondContact O-N 3.28Å; I114-L118 VanDerWaalsContact O-N 3.13Å
115V77Confident67.8Low82 Ų82128 Ų12850%0.49764%0.642SS.*Hα-helixtrans-70.6-33.3177.4-1800000111.8S111 L112 K119S111-V115 PolarHBondContact O-N 3.23Å; L112-V115 PolarHBondContact O-N 3.36Å; V115-K119 PolarHBondContact O-N 2.82Å
116Q78.3Confident67.5Low128 Ų128124.4 Ų124.460%0.59865%0.647SS**Hα-helixtrans-70.1-39.4174.9-94.8-172.7-5.500113.1L112 L113 K119L112-Q116 PolarHBondContact O-N 3.05Å; L112-Q116 VanDerWaalsContact O-N 3.1Å; L113-Q116 PolarHBondContact O-N 2.89Å; Q116-K119 PolarHBondContact O-N 3.2Å
117E77.1Confident67.5Low94 Ų94118.1 Ų118.144%0.43965%0.645SS.*Hα-helixtrans-70.1-37177.1-75.8-58.8131.400112.3L113 K119 K120L113-E117 PolarHBondContact O-N 2.89Å; L113-E117 VanDerWaalsContact O-N 3.13Å; E117-K119 VanDerWaalsContact C-N 3.25Å; E117-K119 PolarHBondContact O-N 2.91Å; E117-K120 PolarHBondContact O-N 3.11Å; E117-K120 IonicContact OE1-NZ 2.73Å; E117-K120 PolarHBondContact OE1-NZ 3.05Å
118L76.1Confident67.1Low116 Ų116123.2 Ų123.261%0.60766%0.66SS**Hα-helixtrans-63.5-28175.4-74.4171.2000113.6I114 K120I114-L118 HydrophobicContact CG2-CD1 4.19Å; I114-L118 WeakPolarHBondContact O-CG 3.47Å; I114-L118 PolarHBondContact O-N 3.28Å; I114-L118 VanDerWaalsContact O-N 3.13Å; L118-K120 VanDerWaalsContact C-N 3.34Å
119K76Confident66.8Low164 Ų164122.4 Ų122.471%0.71367%0.665SS**Hα-helixtrans-71.5-24.2173.3-89.5179.4176.4176.20113.6V115 Q116 E117V115-K119 PolarHBondContact O-N 2.82Å; Q116-K119 PolarHBondContact O-N 3.2Å; E117-K119 VanDerWaalsContact C-N 3.25Å; E117-K119 PolarHBondContact O-N 2.91Å
120K75.8Confident66.6Low133 Ų133121.9 Ų121.958%0.57867%0.671SS**Hα-helixtrans-80.8-19.7179.5-65.4176.7-171.3166.70113.2E117 L118 Q122 P123E117-K120 PolarHBondContact O-N 3.11Å; E117-K120 IonicContact OE1-NZ 2.73Å; E117-K120 PolarHBondContact OE1-NZ 3.05Å; L118-K120 VanDerWaalsContact C-N 3.34Å; K120-Q122 VanDerWaalsContact C-N 3.34Å; K120-P123 WeakPolarHBondContact O-CD 3.24Å
121V68.2Low65.8Low113 Ų113121.9 Ų121.969%0.68568%0.682SS**THydrogen-bonded Turntrans-87.1-2.3-179-173.80000112.5
122Q62.8Low64.7Low163 Ų163124.8 Ų124.876%0.76270%0.702SS**  trans-84.51.2-173.4-84.9-147-19.300120.1K120 L124K120-Q122 VanDerWaalsContact C-N 3.34Å; Q122-L124 PolarHBondContact O-N 3.49Å
123P54.1Low63.5Low106 Ų106122.6 Ų122.669%0.68871%0.709SS**THydrogen-bonded Turntrans-100.962.8177.639.2-30.9000112.2K120K120-P123 WeakPolarHBondContact O-CD 3.24Å
124L59.8Low62.3Low161 Ų161124.5 Ų124.584%0.84372%0.72SS**THydrogen-bonded Turntrans-137.11.3165.8-78.4178.9000115Q122Q122-L124 PolarHBondContact O-N 3.49Å
125F59.6Low60.9Low207 Ų207124.4 Ų124.491%0.90873%0.729SS**  trans-113.392.5167.6-78.5-85.5000109.7
126G51.7Low59.5Low83 Ų83130.7 Ų130.786%0.85675%0.75SS**  trans-63.5141166.100000111.1
127G54.8Low57.9Low69 Ų69130.3 Ų130.371%0.71176%0.756SS**  trans102.631.8144.400000119.2
128F52.6Low56.4Low203 Ų203134.9 Ų134.989%0.8978%0.775SS**  trans-10793.7160.6-110.7-92.4000111.6V130F128-V130 PolarHBondContact O-N 2.81Å
129T52.9Low55.2Low133 Ų133138.7 Ų138.782%0.81679%0.786SS**  trans-71108.1164.350.70000108.7G131T129-G131 PolarHBondContact O-N 2.94Å
130V59.9Low53.7Low130 Ų130138.9 Ų138.979%0.78879%0.79SS**  trans-79.9108.6165.7-178.70000107.2F128 S132F128-V130 PolarHBondContact O-N 2.81Å; V130-S132 PolarHBondContact O-N 3.46Å
131G50.9Low52.9Low71 Ų71140.7 Ų140.773%0.73281%0.806SS**  trans-63.3117.9175.200000111.1T129 G133T129-G131 PolarHBondContact O-N 2.94Å; G131-G133 PolarHBondContact O-N 3.24Å
132S46.1Very low52.1Low125 Ų125142 Ų14287%0.87481%0.809SS**  trans-66.9111.5165.5-57.30000109.5V130V130-S132 PolarHBondContact O-N 3.46Å
133G48.5Very low51.6Low74 Ų74140.1 Ų140.176%0.76381%0.813SS**  trans-111.298.4175.300000111.8G131G131-G133 PolarHBondContact O-N 3.24Å
134N50.1Low51.2Low148 Ų148138.4 Ų138.479%0.79182%0.815SS**  trans32.1115.2147.2-69.5-5000121.7
135S46.5Very low50.7Low110 Ų110140.7 Ų140.777%0.76982%0.818SS**  29.5107.6114.6-57.90000118.3
136F48.3Very low50Low214 Ų214140.6 Ų140.694%0.93982%0.818SS**  trans-126.3104.7152.8-131.5-96.1000109.4
137T44.1Very low49.9Very low119 Ų119143.1 Ų143.173%0.7382%0.816SS**  trans-87.5148.5170.650.40000110.7
138K46.1Very low49.1Very low191 Ų191144.4 Ų144.483%0.8381%0.814SS**  trans86.5111.3146.4-136173.7-171171.90116.9
139K50.9Low48.9Very low195 Ų195145.9 Ų145.985%0.84881%0.814SS**  -174.8137.593.3-93.9176.7-178.2177.50111.2
140H43.3Very low48.6Very low169 Ų169146.7 Ų146.778%0.78281%0.813SS**  trans-61.8146.5167-91.7-114.4000110.9
141D60Low47.4Very low171 Ų171146.6 Ų146.691%0.91482%0.817SS**  trans-144.2133.7134.9-91-49.7000110.3
142D50.6Low47Very low140 Ų140147.6 Ų147.675%0.74982%0.818SS**  trans-88.4134.3-173.2-136.9-60.5000109.2
143S52.4Low47Very low123 Ų123147.7 Ų147.786%0.8682%0.816SS**  trans-171.7108.9152.322.10000110.6
144G45.9Very low47Very low70 Ų70151.1 Ų151.172%0.72282%0.821SS**  trans-80.3170.8-172.400000116.4
145K48.6Very low46.7Very low210 Ų210148.3 Ų148.391%0.91382%0.819SS**  trans-159.8113.8140.1-124.6170.3-176.9175.50110.2
146K44.9Very low46.3Very low205 Ų205147.3 Ų147.389%0.89182%0.818SS**  trans-82.7131.5166.6-72.2177.3176.9177.30108.8
147V49.7Very low46.2Very low136 Ų136144.9 Ų144.982%0.82481%0.813SS**  trans-137.3115.1149.41800000107.8
148S38.2Very low45.9Very low96 Ų96142 Ų14267%0.67181%0.807SS**  trans-102.1133.9171.5170.40000108.2
149R48Very low46Very low233 Ų233141.9 Ų141.988%0.87981%0.809SS**  trans-146.997.8156-75.1-164.6-176.6161.41.5110.9
150N47Very low45.6Very low150 Ų150139.5 Ų139.580%0.80280%0.804SS**  40.1128.5125.8-63-6.7000121.6
151C34.6Very low45.5Very low129 Ų129140.8 Ų140.887%0.87281%0.807SS**  trans-62.2151.5164-61.40000113.9
152A43.5Very low44.3Very low92 Ų92137.9 Ų137.976%0.7680%0.8SS**  -174.8132126.700000110.4
153P45.5Very low44.1Very low126 Ų126136.7 Ų136.782%0.81880%0.798SS**  trans-98.1141.6163.635-25.4000110.3
154V48Very low43.2Very low146 Ų146136.6 Ų136.689%0.88579%0.793SS**  trans-133.6140.9169.1-175.80000110.3
155A44.3Very low43.2Very low90 Ų90141.9 Ų141.974%0.74480%0.798SS**  trans-58.4150.4-166.100000118.9
156A38.9Very low42.7Very low89 Ų89137.6 Ų137.674%0.73679%0.794SS**  trans14.8144.6131.100000121.9
157I45.8Very low42.6Very low163 Ų163131.5 Ų131.584%0.83679%0.79SS**  trans151.8105.7146.7-75151.4000103.5
158G38Very low42.1Very low59 Ų59128.7 Ų128.761%0.60879%0.788SS**  cis8793.948.800000108.8
159H47Very low42.3Very low188 Ų188128.5 Ų128.587%0.8779%0.793SS**  trans-166.1130.5150.7-97.5-63.3000113.1
160I43Very low42Very low144 Ų144125.2 Ų125.274%0.73879%0.787SS**  trans-74.7139.6176.4-65.4153.6000109.7
161F41.3Very low41.9Very low196 Ų196130 Ų13086%0.8679%0.794SS**  trans-157.4113.5146.2-111.3-79.2000111.2V163F161-V163 HydrophobicContact CD1-CG2 4.13Å
162S36Very low42.5Very low110 Ų110130.8 Ų130.877%0.76979%0.789SS**  trans-89.7133.6160.4-60.10000108.5
163V45.2Very low42.6Very low116 Ų116130 Ų13070%0.70378%0.783SS**  trans-141.7109.2159-179.50000108.8F161F161-V163 HydrophobicContact CD1-CG2 4.13Å
164T33.4Very low42.8Very low121 Ų121134 Ų13474%0.74279%0.787SS**  trans-69.1138.8156.444.40000109.6
165H45.9Very low43.1Very low180 Ų180133 Ų13383%0.83379%0.787SS**  trans-160.6123.3143.8-93.4-66.3000111.7
166S39.4Very low43.3Very low120 Ų120137.8 Ų137.884%0.83979%0.794SS**  trans-75.3150.1164.144.70000112.4
167G41.7Very low43.7Very low78 Ų78137.9 Ų137.980%0.80480%0.795SS**  trans142.6112.3168.200000110.2
168G39.2Very low44.3Very low76 Ų76138 Ų13878%0.78480%0.797SS**  121.7106.381.100000106.5
169A42.5Very low44.8Very low93 Ų93143.1 Ų143.177%0.76981%0.805SS**  77.5122.9100.600000114.7
170E42Very low44.7Very low163 Ų163143.7 Ų143.776%0.76281%0.805SS**  trans56.5113.5151.8-74.9178.993.500120.3
171R45.6Very low45Very low252 Ų252141.3 Ų141.395%0.95181%0.807SS**  -137.7118.4128.4-76.3-161.9178.2-178.4-0.5112.4
172L46.9Very low45.5Very low145 Ų145139.3 Ų139.376%0.75981%0.805SS**  trans-58.8146.9167.2-104.591.6000113.6
173A46.1Very low46.1Very low76 Ų76142 Ų14263%0.62881%0.807SS**  trans62.3119.8131.300000120.3
174K49.7Very low46.2Very low208 Ų208144.7 Ų144.790%0.90481%0.81SS**  162119.1106-87.5169.2-178.9179.20109.8
175S54.1Low46.9Very low127 Ų127146.1 Ų146.189%0.88881%0.808SS**  trans-176.7104.9140.4179.60000108.5
176Q48.4Very low47.1Very low189 Ų189144.9 Ų144.988%0.88381%0.808SS**  trans-101.2159.5168.5-80.9-172.6-1.100109.4
177A47Very low47.4Very low92 Ų92144.5 Ų144.576%0.7681%0.805SS**  trans83105151.600000117.6
178N58.2Low47.8Very low166 Ų166146.9 Ų146.989%0.88881%0.809SS**  -147.4131112.5-119.1-9000113.3
179E48.1Very low48.1Very low166 Ų166146.3 Ų146.378%0.77680%0.803SS**  trans-39.9135.3173.5-140.8147.8111.700116.2
180K44.9Very low48.3Very low200 Ų200151.9 Ų151.987%0.8781%0.81SS**  38.9140.2101.6-56.2177.9177176.60114.3
181A48.6Very low48.3Very low93 Ų93151.5 Ų151.577%0.76981%0.806SS**  cis-151.7163.313.100000106
182N53.2Low48.3Very low155 Ų155146 Ų14683%0.82981%0.805SS**  -179.9146.885.4-153-9.6000110
183M48.3Very low48.1Very low165 Ų165144.8 Ų144.881%0.81380%0.799SS**  trans-61.9158.2170.4-61.8174145.700109.9
184K47.9Very low48.4Very low173 Ų173150.5 Ų150.575%0.75281%0.813SS**  177.2151.464-143171.7-178.6-177.50109
185E46.4Very low47.8Very low151 Ų151147.5 Ų147.571%0.70681%0.812SS**  trans7.2135.6147.6-57.6173.6129.600117.4
186D52Low47.4Very low155 Ų155145.3 Ų145.383%0.82980%0.801SS**  -167.9147.377.2-94.5-52.1000113.5
187S45.1Very low47.3Very low111 Ų111144.8 Ų144.878%0.77680%0.799SS**  trans-83.3134.3171.7610000112.4
188S49.5Very low47.5Very low128 Ų128149.5 Ų149.590%0.89581%0.807SS**  trans179.1145.3147.560.70000107.1
189G45.8Very low46.5Very low64 Ų64148.3 Ų148.366%0.6681%0.807SS**  cis175.61591.400000107
190K47.3Very low46.6Very low210 Ų210145.1 Ų145.191%0.91381%0.808SS**  trans48.4145.9140.7-67.2177-179.9177.10119.1
191K40.5Very low46.5Very low155 Ų155145.6 Ų145.667%0.67481%0.81SS**  cis172.3126.8-6.6-169.8175.7-170.7-111.50101.5D193K191-D193 IonicContact NZ-OD1 3.61Å; K191-D193 IonicContact NZ-OD2 3.93Å; K191-D193 PolarHBondContact NZ-OD2 3.36Å
192C45.7Very low46.5Very low138 Ų138153.1 Ų153.193%0.93282%0.819SS**  trans-123.895169.7-79.40000108.8
193D43.2Very low46.3Very low118 Ų118155.4 Ų155.463%0.63182%0.822SS**  trans-74.3129.2160.5-72.2-58.6000108.4K191K191-D193 IonicContact NZ-OD1 3.61Å; K191-D193 IonicContact NZ-OD2 3.93Å; K191-D193 PolarHBondContact NZ-OD2 3.36Å
194Q52.9Low45.8Very low197 Ų197153.2 Ų153.292%0.92182%0.822SS**  trans-141.1103.6151.3-74.2-165.810.100109.6
195T37.8Very low45.9Very low145 Ų145150 Ų15089%0.8982%0.822SS**  trans-140.1110.1162.7-60.10000106
196A45.6Very low45.5Very low80 Ų80150 Ų15066%0.66183%0.832SS**  trans-175.1120.5154.500000111.5
197Q45.6Very low45.4Very low178 Ų178149.8 Ų149.883%0.83283%0.829SS**  trans64.3118.6132.7-57179.438.500118.5
198M51.5Low45.1Very low191 Ų191148.4 Ų148.494%0.94183%0.833SS**  -155.1107.3115.7-75.8-140.910800110.2
199T37.5Very low44.9Very low142 Ų142151.4 Ų151.487%0.87183%0.832SS**  trans-80.4121.8160.344.10000109
200A49.7Very low45.1Very low98 Ų98155.2 Ų155.281%0.8183%0.833SS**  trans-145.3108.6164.300000111.2
201K43.4Very low45.4Very low210 Ų210150.2 Ų150.291%0.91382%0.822SS**  trans-53.5129166.4-69168.4173.1174.60110.2
202R47.4Very low45.9Very low252 Ų252148.3 Ų148.395%0.95183%0.828SS**  trans-151147.7151.7-110.8172.1-169.4-165.72.2112.3
203K48.7Very low47.1Very low203 Ų203146.7 Ų146.788%0.88381%0.806SS**  trans-78.5155.9-152.4-73.2164.6171.1179.70114.1
204S38.5Very low48.9Very low118 Ų118145.1 Ų145.183%0.82580%0.8SS**  trans-49.7142.1171.858.10000115.8
205S48.9Very low49.7Very low107 Ų107141 Ų14175%0.74878%0.784SS**  trans-146.1113.4144.5510000109.2
206T37.9Very low51.4Low149 Ų149136.7 Ų136.791%0.91476%0.763SS**  trans-56.9120.1170.8180000111.7
207I51Low53Low151 Ų151138 Ų13877%0.77476%0.756SS**  trans-130123.8159.2-59.8177.8000105.4E209I207-E209 PolarHBondContact O-N 3.44Å
208G39.7Very low54.7Low82 Ų82133.5 Ų133.585%0.84574%0.736SS**  trans-67.5112.9-175.100000111.6
209E44.1Very low56Low191 Ų191124.7 Ų124.789%0.89369%0.694SS**PPolyproline II helixtrans-84.7118166.5-85.2-177.8117.300109.5I207I207-E209 PolarHBondContact O-N 3.44Å
210E50.6Low58.2Low144 Ų144122.6 Ų122.667%0.67368%0.681SS**PPolyproline II helixtrans-58.2138.8161.4-107.9-146.7141.100108.7S212 K213E210-S212 PolarHBondContact O-N 3Å; E210-K213 IonicContact OE1-NZ 2.79Å; E210-K213 PolarHBondContact OE1-NZ 3.48Å; E210-K213 IonicContact OE2-NZ 3.99Å; E210-K213 PolarHBondContact OE2-NZ 2.89Å
211P53.9Low60.1Low105 Ų105126.9 Ų126.968%0.68268%0.681SS**PPolyproline II helixtrans-61.1125.5175.726.3-32.5000109K213P211-K213 PolarHBondContact O-N 3.03Å
212S50.7Low62.3Low115 Ų115124.4 Ų124.480%0.80467%0.671SS**  trans-45.1103.9171.137.90000109.7E210 T214E210-S212 PolarHBondContact O-N 3Å; S212-T214 PolarHBondContact O-N 2.66Å
213K70.8Confident64.2Low105 Ų105115.5 Ų115.546%0.45766%0.658SS.*  trans-63112177.1-69.9174.4177.1115.20106.9E210 P211E210-K213 IonicContact OE1-NZ 2.79Å; E210-K213 PolarHBondContact OE1-NZ 3.48Å; E210-K213 IonicContact OE2-NZ 3.99Å; E210-K213 PolarHBondContact OE2-NZ 2.89Å; P211-K213 PolarHBondContact O-N 3.03Å
214T79.5Confident65.9Low84 Ų84109.6 Ų109.652%0.51564%0.635SS.*  trans-53.5142.6177.412.20000109.2S212 A216 Q217 I218S212-T214 PolarHBondContact O-N 2.66Å; T214-A216 CarbonylContact O-C 3.58Å; T214-A216 PolarHBondContact O-N 3.15Å; T214-Q217 WeakPolarHBondContact O-CA 3.43Å; T214-Q217 WeakPolarHBondContact O-CB 3.37Å; T214-Q217 PolarHBondContact O-N 2.8Å; T214-I218 PolarHBondContact O-N 2.96Å
215L70.2Confident67.9Low110 Ų110107.5 Ų107.558%0.57662%0.619SS**Hα-helixtrans-53.5-29.5179.9-148.8111.4000112I218 A219 L234L215-I218 PolarHBondContact O-N 3.35Å; L215-A219 PolarHBondContact O-N 3.03Å; L215-L234 HydrophobicContact CD2-CD1 4.02Å
216A74.2Confident69Low55 Ų55107.3 Ų107.346%0.45561%0.608SS.*Hα-helixtrans-56.4-47.316900000113T214 I218 A219 T220T214-A216 CarbonylContact O-C 3.58Å; T214-A216 PolarHBondContact O-N 3.15Å; A216-I218 VanDerWaalsContact C-N 3.28Å; A216-I218 PolarHBondContact O-N 2.88Å; A216-A219 PolarHBondContact O-N 3.19Å; A216-T220 PolarHBondContact O-N 3.25Å; A216-T220 PolarHBondContact O-OG1 3.26Å
217Q80Confident70.7Confident108 Ų108108 Ų10851%0.50560%0.601SS.*Hα-helixtrans-64.1-33.3177.3-63.5179.6-0.200112.3T214 K221T214-Q217 WeakPolarHBondContact O-CA 3.43Å; T214-Q217 WeakPolarHBondContact O-CB 3.37Å; T214-Q217 PolarHBondContact O-N 2.8Å; Q217-K221 VanDerWaalsContact O-CB 3.29Å; Q217-K221 WeakPolarHBondContact O-CB 3.19Å; Q217-K221 PolarHBondContact O-N 3.04Å
218I79.7Confident71.2Confident83 Ų83104.9 Ų104.943%0.42659%0.593SS.*Hα-helixtrans-69.3-43.8175.1-58.9175.6000110.1T214 L215 A216 K221 K222T214-I218 PolarHBondContact O-N 2.96Å; L215-I218 PolarHBondContact O-N 3.35Å; A216-I218 VanDerWaalsContact C-N 3.28Å; A216-I218 PolarHBondContact O-N 2.88Å; I218-K221 PolarHBondContact O-N 2.77Å; I218-K222 WeakPolarHBondContact O-CG 3.22Å; I218-K222 PolarHBondContact O-N 3.21Å
219A79.2Confident72.1Confident7 Ų7104.1 Ų104.16%0.05857%0.568CS.*Hα-helixtrans-61.7-44.3176.600000111.8L215 A216 K221 K222 G223 I224 L229L215-A219 PolarHBondContact O-N 3.03Å; A216-A219 PolarHBondContact O-N 3.19Å; A219-K221 PolarHBondContact O-N 2.99Å; A219-K222 PolarHBondContact O-N 3.24Å; A219-G223 PolarHBondContact O-N 3.45Å; A219-I224 HydrophobicContact CB-CB 4.41Å; A219-I224 PolarHBondContact O-N 2.04Å; A219-L229 HydrophobicContact CB-CD1 4.18Å
220T83.4Confident72.7Confident97 Ų97102.7 Ų102.760%0.59556%0.562SS**Hα-helixtrans-63.7-41.9176.2-37.50000111.6A216 K222 G223A216-T220 PolarHBondContact O-N 3.25Å; A216-T220 PolarHBondContact O-OG1 3.26Å; T220-K222 PolarHBondContact O-N 2.86Å; T220-G223 PolarHBondContact O-N 3.18Å
221K90.3Very high72.9Confident188 Ų188105.7 Ų105.782%0.81757%0.572SS**Hα-helixtrans-66.6-26.4178.4-170.1173.7-178.7178.80112.9Q217 I218 A219Q217-K221 VanDerWaalsContact O-CB 3.29Å; Q217-K221 WeakPolarHBondContact O-CB 3.19Å; Q217-K221 PolarHBondContact O-N 3.04Å; I218-K221 PolarHBondContact O-N 2.77Å; A219-K221 PolarHBondContact O-N 2.99Å
222K88.6Confident72.3Confident158 Ų158105 Ų10569%0.68757%0.566SS**THydrogen-bonded Turntrans-94.33.6178.1-69.9-156.1175.7-168.20114.4I218 A219 T220 I224I218-K222 WeakPolarHBondContact O-CG 3.22Å; I218-K222 PolarHBondContact O-N 3.21Å; A219-K222 PolarHBondContact O-N 3.24Å; T220-K222 PolarHBondContact O-N 2.86Å; K222-I224 HydrophobicContact CB-CD1 4.09Å; K222-I224 HydrophobicContact CB-CG1 4.05Å; K222-I224 PolarHBondContact O-N 2.9Å
223G87.7Confident71.9Confident66 Ų66108.5 Ų108.568%0.6857%0.57SS**THydrogen-bonded Turntrans66.325-18000000113.7A219 T220 P225A219-G223 PolarHBondContact O-N 3.45Å; T220-G223 PolarHBondContact O-N 3.18Å; G223-P225 WeakPolarHBondContact O-CD 2.98Å
224I84.6Confident70.4Confident78 Ų78108.7 Ų108.740%0.458%0.575SS.*  trans-84.6118.6177.4-56.9173.4000107.3A219 K222 I226A219-I224 HydrophobicContact CB-CB 4.41Å; A219-I224 PolarHBondContact O-N 2.04Å; K222-I224 HydrophobicContact CB-CD1 4.09Å; K222-I224 HydrophobicContact CB-CG1 4.05Å; K222-I224 PolarHBondContact O-N 2.9Å; I224-I226 PolarHBondContact O-N 2.8Å
225P79.9Confident68.8Low75 Ų75110.3 Ų110.349%0.48759%0.585SS.*  trans-62.3126.7177.123.6-30.6000109.6G223 E227 S228G223-P225 WeakPolarHBondContact O-CD 2.98Å; P225-E227 PolarHBondContact O-N 2.03Å; P225-E227 VanDerWaalsContact O-N 3.13Å; P225-S228 WeakPolarHBondContact O-CB 2.93Å; P225-S228 PolarHBondContact O-N 3.22Å
226I73.5Confident67.3Low102 Ų102112.2 Ų112.252%0.52360%0.596SS.*G310 helixtrans-58.3-28.3-177.5-64.5171.9000111.1I224 S228 L229I224-I226 PolarHBondContact O-N 2.8Å; I226-S228 PolarHBondContact O-N 3.02Å; I226-L229 WeakPolarHBondContact O-CB 3.43Å; I226-L229 PolarHBondContact O-N 3.45Å
227E72.6Confident66.4Low165 Ų165114.4 Ų114.477%0.77160%0.603SS**G310 helixtrans-62.4-22.5176.6-60.2175.917800113.2P225 L229P225-E227 PolarHBondContact O-N 2.03Å; P225-E227 VanDerWaalsContact O-N 3.13Å; E227-L229 VanDerWaalsContact C-N 3.31Å
228S62.6Low64.7Low85 Ų85116.9 Ų116.959%0.59462%0.62SS**G310 helixtrans-79.6-9.8174.4-64.40000113.7P225 I226 H230P225-S228 WeakPolarHBondContact O-CB 2.93Å; P225-S228 PolarHBondContact O-N 3.22Å; I226-S228 PolarHBondContact O-N 3.02Å; S228-H230 VanDerWaalsContact C-N 3.34Å
229L57.7Low63.5Low65 Ų65118 Ų11834%0.3463%0.626SS.*G310 helixtrans-84.6-3.5179.2-68.2167.9000113.4A219 I226 E227 K231 V232A219-L229 HydrophobicContact CB-CD1 4.18Å; I226-L229 WeakPolarHBondContact O-CB 3.43Å; I226-L229 PolarHBondContact O-N 3.45Å; E227-L229 VanDerWaalsContact C-N 3.31Å; L229-K231 PolarHBondContact O-N 3.45Å; L229-V232 PolarHBondContact O-N 3.45Å
230H55.8Low62.2Low162 Ų162121.7 Ų121.775%0.7565%0.649SS**THydrogen-bonded Turntrans-69.46.2-177.4-71.4177.3000115.8S228S228-H230 VanDerWaalsContact C-N 3.34Å
231K55.4Low60.9Low206 Ų206123.8 Ų123.890%0.89666%0.664SS**THydrogen-bonded Turntrans-117.56.2176.6-86.6-178.7178.8177.70115L229L229-K231 PolarHBondContact O-N 3.45Å
232V40.8Very low59.9Low91 Ų91118.6 Ų118.655%0.55266%0.664SS**  trans-11697173.6-164.90000107.6L229 L234L229-V232 PolarHBondContact O-N 3.45Å; V232-L234 HydrophobicContact CG1-CD2 4.49Å; V232-L234 HydrophobicContact CG1-CG 3.95Å; V232-L234 PolarHBondContact O-N 3.43Å
233E42.5Very low58Low188 Ų188114.8 Ų114.888%0.87966%0.657SS**  trans-6692.4160.8-79.5-174.1152.100107.2V235E233-V235 PolarHBondContact O-N 3.02Å
234L38.9Very low56.3Low110 Ų110121.3 Ų121.358%0.57667%0.67SS**  trans-75.3107.9163.8-78.2155000106.5L215 V232 D236L215-L234 HydrophobicContact CD2-CD1 4.02Å; V232-L234 HydrophobicContact CG1-CD2 4.49Å; V232-L234 HydrophobicContact CG1-CG 3.95Å; V232-L234 PolarHBondContact O-N 3.43Å; L234-D236 PolarHBondContact O-N 3.28Å
235V46.1Very low54.4Low118 Ų118125.6 Ų125.672%0.71569%0.688SS**  trans-74.4104.9165.1-176.90000106.2E233 V237E233-V235 PolarHBondContact O-N 3.02Å; V235-V237 HydrophobicContact CG1-CG2 3.96Å; V235-V237 PolarHBondContact O-N 3.39Å; V235-V237 VanDerWaalsContact O-N 3.12Å
236D40Very low52.7Low150 Ų150127.5 Ų127.580%0.80270%0.698SS**  trans-64.5109.2167.1-74.1-39000107.9L234L234-D236 PolarHBondContact O-N 3.28Å
237V54Low51.1Low101 Ų101128.3 Ų128.361%0.61271%0.708SS**  trans-102104.1170.7-178.50000106.9V235 L239V235-V237 HydrophobicContact CG1-CG2 3.96Å; V235-V237 PolarHBondContact O-N 3.39Å; V235-V237 VanDerWaalsContact O-N 3.12Å; V237-L239 HydrophobicContact CG1-CD1 4.39Å; V237-L239 HydrophobicContact CG1-CG 4.36Å; V237-L239 PolarHBondContact O-N 2.89Å
238D45.6Very low49.8Very low160 Ų160126 Ų12686%0.85670%0.699SS**  trans-64.8102.7168.6-75-47000109.2
239L55Low48.8Very low106 Ų106125.4 Ų125.456%0.55569%0.694SS**PPolyproline II helixtrans-88.3129.6170-83.1130.4000109.5V237 C243V237-L239 HydrophobicContact CG1-CD1 4.39Å; V237-L239 HydrophobicContact CG1-CG 4.36Å; V237-L239 PolarHBondContact O-N 2.89Å; L239-C243 HydrophobicContact CD2-CB 4.11Å
240P50.8Low48.5Very low85 Ų85131.4 Ų131.455%0.55272%0.717SS**PPolyproline II helixtrans-65.8149.5174.527.6-33000110.8G242P240-G242 PolarHBondContact O-N 3.47Å
241P56.2Low48.3Very low140 Ų140133.8 Ų133.891%0.90972%0.721SS**THydrogen-bonded Turntrans-61.4123.4176.624.3-32000110.2
242G69Low48.1Very low79 Ų79131.6 Ų131.681%0.81471%0.712SS**THydrogen-bonded Turntrans122.81.4177.800000116.6P240P240-G242 PolarHBondContact O-N 3.47Å
243C48.7Very low48.7Very low79 Ų79131 Ų13153%0.53471%0.709SS.*  trans-96.496.5174.5-65.40000111.4L239 E245L239-C243 HydrophobicContact CD2-CB 4.11Å; C243-E245 VanDerWaalsContact C-N 3.33Å
244E52.9Low49Very low202 Ų202124.6 Ų124.694%0.94469%0.692SS**  trans-83.5-0.5174.5-81-175.215500114.1
245E43.8Very low49.9Very low169 Ų169125.2 Ų125.279%0.7970%0.696SS**  trans-134.5108.5-178.9-126.7177.817900112.5C243 T247C243-E245 VanDerWaalsContact C-N 3.33Å; E245-T247 PolarHBondContact O-N 2.85Å; E245-T247 VanDerWaalsContact O-N 3.15Å
246V43.9Very low50.6Low114 Ų114126.3 Ų126.369%0.69170%0.697SS**  trans-78.395.4171.5-178.50000108.3I248V246-I248 PolarHBondContact O-N 3.26Å
247T41.3Very low51.8Low119 Ų119123.7 Ų123.773%0.7368%0.683SS**  trans-79.1102.4169.9-51.20000108.8E245 P249E245-T247 PolarHBondContact O-N 2.85Å; E245-T247 VanDerWaalsContact O-N 3.15Å; T247-P249 WeakPolarHBondContact O-CD 3.2Å
248I45.2Very low52.2Low116 Ų116125.1 Ų125.160%0.59570%0.695SS**  trans-61.4123.2173.2-57.6173.7000108.1V246 K250 F252V246-I248 PolarHBondContact O-N 3.26Å; I248-K250 PolarHBondContact O-N 3.41Å; I248-F252 HydrophobicContact CG2-CB 4.4Å
249P40.4Very low54.1Low74 Ų74121.1 Ų121.148%0.48169%0.692SS.*  trans-56.2130.3176.5-21.430.6000110T247 Y251 F252T247-P249 WeakPolarHBondContact O-CD 3.2Å; P249-Y251 HydrophobicContact CB-CD2 4.17Å; P249-Y251 PolarHBondContact O-N 3.22Å; P249-F252 PolarHBondContact O-N 3.12Å; P249-F252 VanDerWaalsContact O-N 3.11Å
250K52.4Low55.5Low191 Ų191118.8 Ų118.883%0.8368%0.679SS**G310 helixtrans-54-12.6180-71.7179.6178.8173.40114.4I248I248-K250 PolarHBondContact O-N 3.41Å
251Y51.7Low57.5Low211 Ų211117 Ų11783%0.82767%0.668SS**G310 helixtrans-82.3-7.6-178.5-50.3-74.8000114.2P249P249-Y251 HydrophobicContact CB-CD2 4.17Å; P249-Y251 PolarHBondContact O-N 3.22Å
252F50.1Low59.1Low160 Ų160118.2 Ų118.270%0.70266%0.659SS**G310 helixtrans-92.7-11-178.3-100.4-85.3000115.4I248 P249I248-F252 HydrophobicContact CG2-CB 4.4Å; P249-F252 PolarHBondContact O-N 3.12Å; P249-F252 VanDerWaalsContact O-N 3.11Å
253T53.1Low60.3Low80 Ų80120.5 Ų120.549%0.49165%0.648SS.*SBendtrans-110.2-2.7-176.747.40000114.5
254G49.2Very low62.4Low52 Ų52121.1 Ų121.154%0.53664%0.643SS.*SBendtrans-75.4-28.6-171.500000116
255D58.1Low64.2Low123 Ų123114.6 Ų114.666%0.65861%0.614SS**SBendtrans-109.2-4.3-164.6-67.7-19.3000114.7
256L62Low66.6Low141 Ų141109.7 Ų109.774%0.73860%0.596SS**SBendtrans-86.8-12.9-170.4-82165.4000115.3
257N64.7Low69.1Low95 Ų95110.7 Ų110.751%0.50859%0.593SS.*  trans-168.195169.7-87-48.3000110G259 M260N257-G259 PolarHBondContact O-N 3.17Å; N257-M260 HydrophobicContact CB-CB 4.42Å; N257-M260 HydrophobicContact CB-CG 3.93Å; N257-M260 PolarHBondContact O-N 3.04Å
258P61.6Low71.7Confident131 Ų131110.1 Ų110.185%0.85158%0.582SS**THydrogen-bonded Turntrans-66.9110175.427-31.1000109.2
259G85.7Confident74Confident77 Ų77110.7 Ų110.779%0.79458%0.582SS**THydrogen-bonded Turntrans127.9-8.8177.800000115.4N257N257-G259 PolarHBondContact O-N 3.17Å
260M85.5Confident76.7Confident57 Ų57113.6 Ų113.628%0.28159%0.587SS.*  trans-85.8134.4174.5-70.5-112.8-61.500111.7N257 Q264 I265 Q268N257-M260 HydrophobicContact CB-CB 4.42Å; N257-M260 HydrophobicContact CB-CG 3.93Å; N257-M260 PolarHBondContact O-N 3.04Å; M260-Q264 HydrophobicContact CB-CB 4.29Å; M260-Q264 HydrophobicContact CE-CB 3.88Å; M260-Q264 HydrophobicContact SD-CB 3.81Å; M260-I265 HydrophobicContact CB-CG1 4.04Å; M260-I265 HydrophobicContact CE-CG1 4.17Å; M260-Q268 HydrophobicContact CE-CG 4.15Å
261S92.7Very high78.8Confident46 Ų46110.1 Ų110.132%0.32257%0.574SS.*  trans-69.4158.6172.791.80000111.1E263 Q264 I265S261-E263 VanDerWaalsContact CB-OE2 3.24Å; S261-E263 WeakPolarHBondContact CB-OE2 3.49Å; S261-E263 PolarHBondContact O-N 3.36Å; S261-E263 PolarHBondContact OG-N 3.07Å; S261-E263 PolarHBondContact OG-OE2 3.32Å; S261-Q264 WeakPolarHBondContact O-CB 3.42Å; S261-Q264 PolarHBondContact O-N 2.82Å; S261-Q264 PolarHBondContact OG-N 3.1Å; S261-I265 PolarHBondContact O-N 3.42Å
262K88.8Confident80.8Confident167 Ų167105.1 Ų105.173%0.72656%0.561SS**Hα-helixtrans-57-34.3176.6-172.8-178177.1-171.70111.6T266K262-T266 WeakPolarHBondContact O-CB 3.37Å; K262-T266 PolarHBondContact O-N 3.37Å; K262-T266 PolarHBondContact O-OG1 3.26Å
263E93.8Very high83Confident126 Ų126100.5 Ų100.559%0.58955%0.546SS*.Hα-helixtrans-66.4-43.4175.9-58.769.7-147.200111.1S261 T266 Q267S261-E263 VanDerWaalsContact CB-OE2 3.24Å; S261-E263 WeakPolarHBondContact CB-OE2 3.49Å; S261-E263 PolarHBondContact O-N 3.36Å; S261-E263 PolarHBondContact OG-N 3.07Å; S261-E263 PolarHBondContact OG-OE2 3.32Å; E263-T266 PolarHBondContact O-N 2.77Å; E263-Q267 WeakPolarHBondContact O-CB 3.39Å; E263-Q267 PolarHBondContact O-N 3.06Å
264Q94.5Very high85.2Confident92 Ų92103.5 Ų103.543%0.4355%0.552SS.*Hα-helixtrans-64.1-41.9177.3-70.3176.3-36.600112.1M260 S261 T266 Q267 Q268M260-Q264 HydrophobicContact CB-CB 4.29Å; M260-Q264 HydrophobicContact CE-CB 3.88Å; M260-Q264 HydrophobicContact SD-CB 3.81Å; S261-Q264 WeakPolarHBondContact O-CB 3.42Å; S261-Q264 PolarHBondContact O-N 2.82Å; S261-Q264 PolarHBondContact OG-N 3.1Å; Q264-T266 VanDerWaalsContact C-N 3.32Å; Q264-T266 PolarHBondContact O-N 3.42Å; Q264-Q267 PolarHBondContact O-N 2.89Å; Q264-Q268 PolarHBondContact O-N 3.04Å
265I90.2Very high87.4Confident65 Ų65105.2 Ų105.233%0.33355%0.549SS..Hα-helixtrans-61.2-44.9175.1-63.6170.8000110.1M260 S261 Q267 Q268 H269M260-I265 HydrophobicContact CB-CG1 4.04Å; M260-I265 HydrophobicContact CE-CG1 4.17Å; S261-I265 PolarHBondContact O-N 3.42Å; I265-Q267 VanDerWaalsContact C-N 3.31Å; I265-Q267 PolarHBondContact O-N 3.15Å; I265-Q268 PolarHBondContact O-N 2.88Å; I265-H269 PolarHBondContact O-N 3.05Å
266T94Very high89.1Confident67 Ų67105.6 Ų105.641%0.41155%0.545SS..Hα-helixtrans-64.1-37.8178-54.30000111.6K262 E263 Q264 H269 K270K262-T266 WeakPolarHBondContact O-CB 3.37Å; K262-T266 PolarHBondContact O-N 3.37Å; K262-T266 PolarHBondContact O-OG1 3.26Å; E263-T266 PolarHBondContact O-N 2.77Å; Q264-T266 VanDerWaalsContact C-N 3.32Å; Q264-T266 PolarHBondContact O-N 3.42Å; T266-H269 PolarHBondContact O-N 3.44Å; T266-K270 WeakPolarHBondContact O-CG 2.95Å; T266-K270 PolarHBondContact O-N 2.7Å
267Q96.7Very high90.8Very high134 Ų134103.9 Ų103.963%0.62653%0.533SS*.Hα-helixtrans-71-41.9179.6-167.9163.7-4.500112E263 Q264 I265 H269 K270 E271E263-Q267 WeakPolarHBondContact O-CB 3.39Å; E263-Q267 PolarHBondContact O-N 3.06Å; Q264-Q267 PolarHBondContact O-N 2.89Å; I265-Q267 VanDerWaalsContact C-N 3.31Å; I265-Q267 PolarHBondContact O-N 3.15Å; Q267-H269 VanDerWaalsContact C-N 3.32Å; Q267-H269 PolarHBondContact O-N 3.26Å; Q267-K270 PolarHBondContact O-N 3.24Å; Q267-E271 PolarHBondContact O-N 3.15Å
268Q94.8Very high92.3Very high107 Ų107105.3 Ų105.350%0.554%0.535SS..Hα-helixtrans-58.2-44.7170.8-100.3-163.8-35.700111.6M260 Q264 I265 K270 E271 L272M260-Q268 HydrophobicContact CE-CG 4.15Å; Q264-Q268 PolarHBondContact O-N 3.04Å; I265-Q268 PolarHBondContact O-N 2.88Å; Q268-K270 PolarHBondContact O-N 3.2Å; Q268-E271 PolarHBondContact O-N 3.35Å; Q268-L272 WeakPolarHBondContact O-CB 2.91Å; Q268-L272 PolarHBondContact O-N 3.03Å
269H93.8Very high93.9Very high128 Ų128104 Ų10459%0.59352%0.52SS*.Hα-helixtrans-63.3-41.8178.7-166.2-88.4000111.9I265 T266 Q267 E271 L272 V273I265-H269 PolarHBondContact O-N 3.05Å; T266-H269 PolarHBondContact O-N 3.44Å; Q267-H269 VanDerWaalsContact C-N 3.32Å; Q267-H269 PolarHBondContact O-N 3.26Å; H269-E271 VanDerWaalsContact C-N 3.32Å; H269-E271 PolarHBondContact O-N 3.11Å; H269-L272 PolarHBondContact O-N 3.27Å; H269-V273 WeakPolarHBondContact O-CG2 3.41Å; H269-V273 PolarHBondContact O-N 2.82Å
270K96.8Very high94.3Very high135 Ų135105.9 Ų105.959%0.58751%0.511SS*.Hα-helixtrans-61-39.4174.5-77.5178.3179.5179.20112.6T266 Q267 Q268 K274T266-K270 WeakPolarHBondContact O-CG 2.95Å; T266-K270 PolarHBondContact O-N 2.7Å; Q267-K270 PolarHBondContact O-N 3.24Å; Q268-K270 PolarHBondContact O-N 3.2Å; K270-K274 WeakPolarHBondContact O-CG 3.23Å; K270-K274 PolarHBondContact O-N 2.83Å; K270-K274 VanDerWaalsContact O-N 3.11Å
271E97.3Very high94.7Very high118 Ų118110.4 Ų110.455%0.55153%0.529SS*.Hα-helixtrans-69.6-40178.5-166.6172.9-172.600111.8Q267 Q268 H269 V273 K274 N275Q267-E271 PolarHBondContact O-N 3.15Å; Q268-E271 PolarHBondContact O-N 3.35Å; H269-E271 VanDerWaalsContact C-N 3.32Å; H269-E271 PolarHBondContact O-N 3.11Å; E271-V273 PolarHBondContact O-N 3.24Å; E271-K274 PolarHBondContact O-N 3.45Å; E271-N275 PolarHBondContact O-N 3.28Å
272L94.4Very high94.8Very high106 Ų106114.3 Ų114.356%0.55554%0.543SS*.Hα-helixtrans-63.4-42.4176.9-156.2120.9000111.9Q268 H269 N275 F276Q268-L272 WeakPolarHBondContact O-CB 2.91Å; Q268-L272 PolarHBondContact O-N 3.03Å; H269-L272 PolarHBondContact O-N 3.27Å; L272-N275 PolarHBondContact O-N 3.08Å; L272-F276 HydrophobicContact CD2-CD2 4.4Å; L272-F276 PolarHBondContact O-N 3.16Å
273V96.2Very high94.9Very high63 Ų63110 Ų11038%0.38254%0.538SS..Hα-helixtrans-63-44.6174.6173.30000111.2H269 E271 N275 F276 E277H269-V273 WeakPolarHBondContact O-CG2 3.41Å; H269-V273 PolarHBondContact O-N 2.82Å; E271-V273 PolarHBondContact O-N 3.24Å; V273-N275 VanDerWaalsContact C-N 3.33Å; V273-N275 PolarHBondContact O-N 2.95Å; V273-F276 PolarHBondContact O-N 3.44Å; V273-E277 PolarHBondContact O-N 3.47Å
274K97.7Very high94.7Very high144 Ų144110.3 Ų110.363%0.62654%0.54SS*.Hα-helixtrans-60.1-40.7175.9-77.9179179.4-176.90112.7K270 E271 E277 K278K270-K274 WeakPolarHBondContact O-CG 3.23Å; K270-K274 PolarHBondContact O-N 2.83Å; K270-K274 VanDerWaalsContact O-N 3.11Å; E271-K274 PolarHBondContact O-N 3.45Å; K274-E277 PolarHBondContact O-N 3.05Å; K274-K278 WeakPolarHBondContact O-CB 3.37Å; K274-K278 PolarHBondContact O-N 3.15Å
275N96.1Very high94.3Very high88 Ų88111 Ų11147%0.47155%0.552SS.*Hα-helixtrans-66.1-40.8177.6-72.4-17.5000111.5E271 L272 V273 K278 L279E271-N275 PolarHBondContact O-N 3.28Å; L272-N275 PolarHBondContact O-N 3.08Å; V273-N275 VanDerWaalsContact C-N 3.33Å; V273-N275 PolarHBondContact O-N 2.95Å; N275-K278 PolarHBondContact O-N 3.35Å; N275-L279 WeakPolarHBondContact O-CG 2.98Å; N275-L279 PolarHBondContact O-N 3.24Å
276F94.8Very high93.9Very high131 Ų131113.9 Ų113.958%0.57558%0.575SS**Hα-helixtrans-63.1-44.3174.4-108.1-85.2000112.6L272 V273 K278 L279 L280L272-F276 HydrophobicContact CD2-CD2 4.4Å; L272-F276 PolarHBondContact O-N 3.16Å; V273-F276 PolarHBondContact O-N 3.44Å; F276-K278 VanDerWaalsContact C-N 3.3Å; F276-K278 PolarHBondContact O-N 3.41Å; F276-L279 PolarHBondContact O-N 3.15Å; F276-L280 WeakPolarHBondContact O-CG 3.37Å; F276-L280 PolarHBondContact O-N 3.43Å
277E96Very high93.3Very high104 Ų104119.1 Ų119.149%0.48659%0.592SS.*Hα-helixtrans-62.7-36.3175.8-74.2-176.2171.500112.7V273 K274 L280 K281V273-E277 PolarHBondContact O-N 3.47Å; K274-E277 PolarHBondContact O-N 3.05Å; E277-L280 PolarHBondContact O-N 2.76Å; E277-K281 WeakPolarHBondContact O-CG 3.33Å; E277-K281 PolarHBondContact O-N 3.07Å; E277-K281 VanDerWaalsContact O-N 3.14Å
278K97.2Very high92.5Very high125 Ų125118.7 Ų118.754%0.54360%0.601SS.*Hα-helixtrans-64.5-46.6175.6-173.9-178.5173.8-169.50111.3K274 N275 F276 L280 K281 E282K274-K278 WeakPolarHBondContact O-CB 3.37Å; K274-K278 PolarHBondContact O-N 3.15Å; N275-K278 PolarHBondContact O-N 3.35Å; F276-K278 VanDerWaalsContact C-N 3.3Å; F276-K278 PolarHBondContact O-N 3.41Å; K278-L280 VanDerWaalsContact C-N 3.31Å; K278-L280 PolarHBondContact O-N 3.39Å; K278-K281 PolarHBondContact O-N 2.97Å; K278-E282 WeakPolarHBondContact CE-OE1 3.01Å; K278-E282 IonicContact NZ-OE1 2.75Å; K278-E282 WeakPolarHBondContact O-CG 3.5Å; K278-E282 PolarHBondContact O-N 3.42Å
279L94.4Very high91.8Very high105 Ų105123 Ų12355%0.5562%0.618SS.*Hα-helixtrans-62.1-38.3176.9-70.8172000112.1N275 F276 K281 E282 A283N275-L279 WeakPolarHBondContact O-CG 2.98Å; N275-L279 PolarHBondContact O-N 3.24Å; F276-L279 PolarHBondContact O-N 3.15Å; L279-K281 VanDerWaalsContact C-N 3.33Å; L279-K281 PolarHBondContact O-N 3.26Å; L279-E282 PolarHBondContact O-N 2.83Å; L279-A283 WeakPolarHBondContact O-CB 3.23Å; L279-A283 PolarHBondContact O-N 2.81Å
280L94.5Very high90.8Very high115 Ų115121.6 Ų121.660%0.60263%0.628SS**Hα-helixtrans-63.6-37.7175.4-73.5172.7000112.4F276 E277 K278 E284F276-L280 WeakPolarHBondContact O-CG 3.37Å; F276-L280 PolarHBondContact O-N 3.43Å; E277-L280 PolarHBondContact O-N 2.76Å; K278-L280 VanDerWaalsContact C-N 3.31Å; K278-L280 PolarHBondContact O-N 3.39Å; L280-E284 PolarHBondContact O-N 3.18Å
281K94.8Very high89.5Confident152 Ų152123.9 Ų123.966%0.66164%0.641SS**Hα-helixtrans-71.5-35.4176.1-72.4173-177.6171.60112.8E277 K278 L279 A283 E284E277-K281 WeakPolarHBondContact O-CG 3.33Å; E277-K281 PolarHBondContact O-N 3.07Å; E277-K281 VanDerWaalsContact O-N 3.14Å; K278-K281 PolarHBondContact O-N 2.97Å; L279-K281 VanDerWaalsContact C-N 3.33Å; L279-K281 PolarHBondContact O-N 3.26Å; K281-A283 VanDerWaalsContact C-N 3.32Å; K281-E284 PolarHBondContact O-N 2.03Å
282E93.8Very high88.4Confident128 Ų128127.9 Ų127.960%0.59866%0.657SS**Hα-helixtrans-72-27.6176.4-72.4175.2177.100112.4K278 L279K278-E282 WeakPolarHBondContact CE-OE1 3.01Å; K278-E282 IonicContact NZ-OE1 2.75Å; K278-E282 WeakPolarHBondContact O-CG 3.5Å; K278-E282 PolarHBondContact O-N 3.42Å; L279-E282 PolarHBondContact O-N 2.83Å
283A91.2Very high86.8Confident76 Ų76133 Ų13363%0.62867%0.674SS**THydrogen-bonded Turntrans-81.2-9.2176.700000114.1L279 K281 P285L279-A283 WeakPolarHBondContact O-CB 3.23Å; L279-A283 PolarHBondContact O-N 2.81Å; K281-A283 VanDerWaalsContact C-N 3.32Å; A283-P285 VanDerWaalsContact O-CD 3.32Å; A283-P285 WeakPolarHBondContact O-CD 3.4Å
284E89.8Confident85.5Confident134 Ų134135.2 Ų135.263%0.62669%0.693SS**SBendtrans-70.4117.4174.7-69.5-163.415600109.6L280 K281L280-E284 PolarHBondContact O-N 3.18Å; K281-E284 PolarHBondContact O-N 2.03Å
285P85.1Confident83.5Confident107 Ų107138 Ų13870%0.69571%0.705SS**PPolyproline II helixtrans-59.5141.6177.824.7-32.8000109.4A283 K287A283-P285 VanDerWaalsContact O-CD 3.32Å; A283-P285 WeakPolarHBondContact O-CD 3.4Å; P285-K287 PolarHBondContact O-N 2.03Å
286P81.4Confident82.1Confident124 Ų124139.3 Ų139.381%0.80572%0.721SS**PPolyproline II helixtrans-55.2118.6-179.722.3-32.3000108.8
287K82.5Confident80Confident178 Ų178140.6 Ų140.677%0.77473%0.734SS**PPolyproline II helixtrans-53.5126.9177.2-74.3178.9-178.2170.90107.9P285 K289P285-K287 PolarHBondContact O-N 2.03Å; K287-K289 PolarHBondContact O-N 2.92Å
288P79.1Confident78.2Confident124 Ų124141.2 Ų141.281%0.80575%0.75SS**PPolyproline II helixtrans-56.5119.6177.121.7-30.6000107.6A290P288-A290 PolarHBondContact O-N 3.49Å; P288-A290 VanDerWaalsContact O-N 3.12Å
289K80.7Confident76.2Confident197 Ų197139.9 Ų139.986%0.85776%0.756SS**PPolyproline II helixtrans-58.5120.5173.8-69.9179.9179.8176.10106.1K287 E291K287-K289 PolarHBondContact O-N 2.92Å; K289-E291 VanDerWaalsContact C-N 3.32Å; K289-E291 PolarHBondContact O-N 2.97Å
290A73.8Confident74.2Confident99 Ų99141.7 Ų141.782%0.81877%0.765SS**  trans-59.896.7175.600000108.7P288 K292P288-A290 PolarHBondContact O-N 3.49Å; P288-A290 VanDerWaalsContact O-N 3.12Å; A290-K292 PolarHBondContact O-N 2.96Å
291E67.9Low72.3Confident184 Ų184142.2 Ų142.286%0.8677%0.773SS**  trans-65.6121.6169.5-84-176.1135.200108.4K289 K293K289-E291 VanDerWaalsContact C-N 3.32Å; K289-E291 PolarHBondContact O-N 2.97Å; E291-K293 PolarHBondContact O-N 3.23Å; E291-K293 VanDerWaalsContact O-N 3.09Å
292K74.5Confident70.1Confident202 Ų202139.2 Ų139.288%0.87877%0.771SS**  trans-60.8109.9174.6-71.4175.6176.4176.60108.2A290 S294A290-K292 PolarHBondContact O-N 2.96Å; K292-S294 PolarHBondContact O-N 3.15Å
293K62.3Low67.9Low212 Ų212139.9 Ų139.992%0.92278%0.784SS**  trans-54.9104.9166.5-92.4179.4171.41760110.1E291E291-K293 PolarHBondContact O-N 3.23Å; E291-K293 VanDerWaalsContact O-N 3.09Å
294S68.4Low65.9Low110 Ų110139.5 Ų139.577%0.76979%0.788SS**  trans-91.9122.5156.148.90000109.1K292K292-S294 PolarHBondContact O-N 3.15Å
295K54.6Low64.3Low204 Ų204138.4 Ų138.489%0.88779%0.794SS**  trans-56.9128.2168.9-87.8172.3164.8175.50110.5
296S67.8Low62.7Low115 Ų115142.4 Ų142.480%0.80480%0.804SS**  trans-157.5121147.4-41.80000109.6
297D50.9Low61.4Low157 Ų157141.1 Ų141.184%0.8480%0.803SS**  trans-60.7139.5167.5-65.1-75000111.5
298S58.2Low60.2Low118 Ų118138.2 Ų138.283%0.82581%0.806SS**  171.4136.8119.844.60000112
299S53.8Low59.4Low97 Ų97140.2 Ų140.268%0.67881%0.809SS**  trans-46.5154172.8520000116.3
300I54.4Low58.7Low143 Ų143136.6 Ų136.673%0.73381%0.806SS**  150.7114.1127.4-80161.2000111.2
301V53.6Low58.1Low126 Ų126136.2 Ų136.276%0.76480%0.797SS**  54135.6125.3175.60000116.9
302S47.6Very low57.8Low88 Ų88131.5 Ų131.562%0.61579%0.789SS**  cis-173162.42.8-104.90000107.8
303T48.5Very low57.2Low142 Ų142128.5 Ų128.587%0.87178%0.783SS**  trans55.2118.114356.50000120.3
304G48.9Very low57.1Low69 Ų69127.7 Ų127.771%0.71178%0.779SS**  trans-175.580.5158.400000113
305S57Low56.7Low110 Ų110129.8 Ų129.877%0.76978%0.78SS**  trans27.6107.2144.948.90000118.1
306E50.4Low57.1Low192 Ų192124.4 Ų124.490%0.89777%0.774SS**  51.59590.2-73.8-160.9104.600114.8
307A53.9Low56.9Low96 Ų96127.8 Ų127.879%0.79377%0.774SS**  trans-136.1104.9151.900000108L309A307-L309 PolarHBondContact O-N 3.21Å
308S59.3Low57.4Low118 Ų118129.1 Ų129.183%0.82578%0.775SS**PPolyproline II helixtrans-57.3122.8176.7-74.70000111.4
309L60.9Low57.5Low165 Ų165131.7 Ų131.786%0.86478%0.779SS**PPolyproline II helixtrans-93.8134.3161.2-73.3171.4000108.9A307A307-L309 PolarHBondContact O-N 3.21Å
310P66.6Low57.7Low122 Ų122135.4 Ų135.479%0.79279%0.785SS**PPolyproline II helixtrans-71.6138.8-17227.9-33.3000112.2
311S61Low57.8Low90 Ų90140.2 Ų140.263%0.62979%0.794SS**PPolyproline II helixtrans-52.5141.5173.9-173.20000112.8D313S311-D313 PolarHBondContact O-N 3.18Å; S311-D313 PolarHBondContact OG-OD2 3.04Å
312A61.8Low58.3Low85 Ų85144.3 Ų144.370%0.70280%0.802SS**G310 helixtrans-63.8-3.7-177.300000115.1K314A312-K314 PolarHBondContact O-N 3.05Å
313D60.8Low59.4Low140 Ų140149 Ų14975%0.74981%0.814SS**G310 helixtrans-80.9-2.6-172.8-72.8-52.3000116.1S311S311-D313 PolarHBondContact O-N 3.18Å; S311-D313 PolarHBondContact OG-OD2 3.04Å
314K61Low60.5Low195 Ų195147.9 Ų147.985%0.84881%0.809SS**G310 helixtrans-98.4-4.9-179.2-85.4-176.4178.61780116.2A312A312-K314 PolarHBondContact O-N 3.05Å
315I60.7Low61.7Low154 Ų154150.6 Ų150.679%0.7981%0.814SS**SBendtrans-89.4-15-178.2-57.3177.7000112.2K317I315-K317 VanDerWaalsContact C-N 3.35Å; I315-K317 PolarHBondContact O-N 3.25Å
316A61.4Low62.4Low91 Ų91155.2 Ų155.275%0.75282%0.82SS**THydrogen-bonded Turntrans-80.65.2-17400000116.6
317K64.6Low63.2Low186 Ų186155.6 Ų155.681%0.80982%0.819SS**THydrogen-bonded Turntrans-116.27.4-170.4-108.3177.2-179.3175.20117.4I315I315-K317 VanDerWaalsContact C-N 3.35Å; I315-K317 PolarHBondContact O-N 3.25Å
318Q61.2Low64Low184 Ų184156.6 Ų156.686%0.8682%0.817SS**SBendtrans-110.85.5-177.1-75.6-125.520.200115.8
319L59.3Low64.7Low173 Ų173156.6 Ų156.691%0.90682%0.815SS**SBendtrans-110.54.8-178.3-83.7160000115.5R321L319-R321 PolarHBondContact O-N 3.19Å
320E59.1Low65.2Low174 Ų174155.4 Ų155.481%0.81381%0.814SS**  trans-94.191.8173-69.3-173.112800111.3
321R56.5Low65.4Low244 Ų244156 Ų15692%0.92182%0.816SS**  trans178.887.2151-104.3172.8-176.9-166.21.4110.9L319L319-R321 PolarHBondContact O-N 3.19Å
322K63.1Low65.7Low212 Ų212161.3 Ų161.392%0.92283%0.827SS**  trans-142.9122.2143.5-77.2-162.3177.5176.90108.7
323E71.5Confident66Low188 Ų188167.5 Ų167.588%0.87984%0.839SS**PPolyproline II helixtrans-63.6146.9-172.3-62.4175.6133.700112.4
324P71.6Confident66.1Low117 Ų117164.2 Ų164.276%0.7684%0.838SS**PPolyproline II helixtrans-71.8142174.829.1-33.1000111.3
325P73.1Confident66.2Low127 Ų127166.9 Ų166.983%0.82584%0.842SS**PPolyproline II helixtrans-66.1146.4173.526.1-32000112.1
326K71.7Confident66.1Low206 Ų206166.9 Ų166.990%0.89684%0.843SS**PPolyproline II helixtrans-59.7145.9-176.8-70.6171.5177.7172.50112.9
327K67.2Low66.2Low201 Ų201167.1 Ų167.187%0.87484%0.84SS**  trans-39.1138.5-178.6-66.2173.7178.3177.80115.1
328P70.9Confident66.1Low116 Ų116167.5 Ų167.575%0.75384%0.841SS**  trans-72.7154.1165.529.6-32.1000111.9
329P73.7Confident66.3Low118 Ų118168 Ų16877%0.76684%0.841SS**  trans-66.6136.9178.926.7-33.3000112V331P329-V331 PolarHBondContact O-N 2.81Å
330T73.3Confident66.5Low140 Ų140171.2 Ų171.286%0.85986%0.859SS**  trans-67.1114.3174.147.20000110.9
331V69.4Low66.9Low136 Ų136171.1 Ų171.182%0.82486%0.862SS**  trans-88.4125.5169.5-162.70000108.8P329P329-V331 PolarHBondContact O-N 2.81Å
332K68.5Low67.4Low200 Ų200167.3 Ų167.387%0.8786%0.859SS**  trans-66129.8178.8-70.3177177.1175.50110.2G334K332-G334 PolarHBondContact O-N 2.78Å; K332-G334 VanDerWaalsContact O-N 3.15Å
333K66.9Low67.7Low216 Ų216164.8 Ų164.894%0.93986%0.855SS**  trans-60.4109.1170.6-77.2176.5175.6175.40110.1
334G62.6Low67.4Low71 Ų71163.4 Ų163.473%0.73285%0.854SS**  trans-86.8128.6162.800000109.9K332 L336K332-G334 PolarHBondContact O-N 2.78Å; K332-G334 VanDerWaalsContact O-N 3.15Å; G334-L336 PolarHBondContact O-N 2.75Å
335R63.1Low67.2Low250 Ų250166.3 Ų166.394%0.94386%0.86SS**  trans-69.9114.8-176.3-154.4178.8-168.8-175.82.3109.6
336L58.4Low66.8Low155 Ų155168.9 Ų168.981%0.81286%0.862SS**  trans-88.2113.3166.5-127.485.3000108.2G334G334-L336 PolarHBondContact O-N 2.75Å
337S63.6Low66.4Low96 Ų96166.3 Ų166.367%0.67186%0.86SS**  trans-83.2116.8167.347.50000109.3
338F63.7Low66.4Low193 Ų193163.6 Ų163.685%0.84686%0.858SS**  trans-72.8131.5160.2-85.3-99.5000108.8
339F64.8Low66Low195 Ų195167.6 Ų167.686%0.85587%0.867SS**  trans-119.9131.8156.1-92.8-87.9000107.2
340N64.1Low65.3Low241 Ų241172.1 Ų172.1100%1.28988%0.876SS**  trans-54.10178.6-81.8-40.5000113.7

Retrieved 340 of 340 residues in 658.8 ms (Link to these results)