A0A077ZMY9_TRITR Loading...

EGF-like domain-containing protein

AlphaFold DB , UniProt , Accession A0A077ZMY9, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 528 aa.

Structure Viewer
Loading PAE data...
(Predicted Aligned Error values between residue pairs)
Error loading PAE data: please refresh the page.

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
1M65.2Low71.3Confident184 Ų184136.2 Ų136.291%0.90669%0.694SS**  01160-177.8177.5167.500108.4C236M1-C236 HydrophobicContact CE-CB 3.87Å; M1-C236 VanDerWaalsContact CE-SG 3.57Å; M1-C236 VanDerWaalsContact SD-SG 3.69Å
2V83.9Confident70.3Confident110 Ų110128.3 Ų128.367%0.66766%0.66SS**PPolyproline II helixtrans-102120.1173.5-179.10000106.7F4V2-F4 HydrophobicContact CB-CE2 3.96Å; V2-F4 HydrophobicContact CB-CZ 4.09Å; V2-F4 HydrophobicContact CG1-CD1 4.45Å; V2-F4 HydrophobicContact CG1-CD2 4.31Å; V2-F4 HydrophobicContact CG1-CE1 3.88Å; V2-F4 HydrophobicContact CG1-CE2 3.72Å; V2-F4 HydrophobicContact CG1-CZ 3.49Å; V2-F4 VanDerWaalsContact CG1-CZ 3.49Å
3C85.4Confident69.4Low105 Ų105129.1 Ų129.171%0.70968%0.678SS**PPolyproline II helixtrans-87.6123.6174.7-64.40000109
4F84.6Confident68.9Low187 Ų187126.6 Ų126.682%0.8267%0.671SS**PPolyproline II helixtrans-101.7136.6172.4-62-82.1000109.6V2V2-F4 HydrophobicContact CB-CE2 3.96Å; V2-F4 HydrophobicContact CB-CZ 4.09Å; V2-F4 HydrophobicContact CG1-CD1 4.45Å; V2-F4 HydrophobicContact CG1-CD2 4.31Å; V2-F4 HydrophobicContact CG1-CE1 3.88Å; V2-F4 HydrophobicContact CG1-CE2 3.72Å; V2-F4 HydrophobicContact CG1-CZ 3.49Å; V2-F4 VanDerWaalsContact CG1-CZ 3.49Å
5R75.6Confident68.3Low117 Ų117122.9 Ų122.944%0.44265%0.652SS.*  trans-121.7120172.7-176.3178.6174.1110.90.4108.1F7R5-F7 HydrophobicContact CG-CD2 4.43Å; R5-F7 HydrophobicContact CG-CE2 4.09Å
6A72.8Confident68.2Low69 Ų69119.1 Ų119.157%0.5764%0.638SS**PPolyproline II helixtrans-94.8129169.900000108.6S17A6-S17 WeakPolarHBondContact O-CB 3.2Å
7F66.8Low68.3Low150 Ų150113.8 Ų113.866%0.65861%0.612SS**PPolyproline II helixtrans-94.5121.4165.3-72.6-92.3000107.1R5R5-F7 HydrophobicContact CG-CD2 4.43Å; R5-F7 HydrophobicContact CG-CE2 4.09Å
8I69.3Low68.8Low91 Ų91110.3 Ų110.347%0.46759%0.593SS.*PPolyproline II helixtrans-101.1117.4176-64.8165.7000105.3S16I8-S16 WeakPolarHBondContact CD1-OG 3.36Å
9D59.3Low69.7Low143 Ų143109.2 Ų109.277%0.76559%0.59SS**PPolyproline II helixtrans-51.4140.5-173.2-68.2-50.6000112.7K11D9-K11 PolarHBondContact O-N 3.01Å
10D58.9Low70.6Confident140 Ų140113.7 Ų113.775%0.74960%0.598SS**THydrogen-bonded Turntrans-63.121.3-166.7-54.2-47.3000116.5S12D10-S12 VanDerWaalsContact C-N 3.32Å
11K62.2Low71.4Confident202 Ų202113 Ų11388%0.87860%0.595SS**THydrogen-bonded Turntrans-84.1-12.2175-154.6169.9-159.4-620112.9D9D9-K11 PolarHBondContact O-N 3.01Å
12S59.2Low72.5Confident42 Ų42106.8 Ų106.829%0.29458%0.578SS.*SBendtrans-91.5126.9170.3167.30000109.1D10 V14D10-S12 VanDerWaalsContact C-N 3.32Å; S12-V14 CarbonylContact O-C 3.39Å; S12-V14 PolarHBondContact O-N 3.42Å; S12-V14 WeakPolarHBondContact OG-CG2 2.94Å; S12-V14 PolarHBondContact OG-N 3.31Å; S12-V14 PolarHBondContact OG-O 3.04Å
13P59.5Low72.8Confident138 Ų138104.4 Ų104.490%0.89656%0.564SS**SBendtrans-63.8-3.5175.126.8-33.5000113.5
14V62Low73.2Confident95 Ų95107.3 Ų107.358%0.57657%0.565SS**SBendtrans-112.2111167.5-660000108.3S12 S16S12-V14 CarbonylContact O-C 3.39Å; S12-V14 PolarHBondContact O-N 3.42Å; S12-V14 WeakPolarHBondContact OG-CG2 2.94Å; S12-V14 PolarHBondContact OG-N 3.31Å; S12-V14 PolarHBondContact OG-O 3.04Å; V14-S16 PolarHBondContact O-N 3.42Å
15N60.4Low73.6Confident71 Ų7199.7 Ų99.738%0.3853%0.534SS..  trans-68.380.8167.3-63.8-29.5000107.6S17 L18N15-S17 PolarHBondContact O-N 2.97Å; N15-L18 HydrophobicContact CB-CB 4.39Å; N15-L18 HydrophobicContact CB-CD1 3.69Å; N15-L18 HydrophobicContact CB-CG 4.37Å; N15-L18 PolarHBondContact O-N 3.38Å
16S65.5Low74.3Confident61 Ų6195.3 Ų95.343%0.42753%0.525SS..THydrogen-bonded Turntrans-65.1-7.4-174.847.60000113.6I8 V14I8-S16 WeakPolarHBondContact CD1-OG 3.36Å; V14-S16 PolarHBondContact O-N 3.42Å
17S70.2Confident75.2Confident29 Ų2997.7 Ų97.720%0.20353%0.533CS..THydrogen-bonded Turntrans-82.9-9.4170.560.30000114.5A6 N15A6-S17 WeakPolarHBondContact O-CB 3.2Å; N15-S17 PolarHBondContact O-N 2.97Å
18L78.1Confident76.2Confident51 Ų5195.6 Ų95.627%0.26753%0.528SS..SBendtrans-102.5149.8175.5-74.3158.6000109.4N15 R20N15-L18 HydrophobicContact CB-CB 4.39Å; N15-L18 HydrophobicContact CB-CD1 3.69Å; N15-L18 HydrophobicContact CB-CG 4.37Å; N15-L18 PolarHBondContact O-N 3.38Å; L18-R20 PolarHBondContact O-N 3.18Å
19V85.4Confident77.3Confident89 Ų8995.9 Ų95.954%0.53953%0.526SS..PPolyproline II helixtrans-58.1124.6173.5179.60000107.9T23 C31V19-T23 VanDerWaalsContact CG1-CB 3.42Å; V19-T23 HydrophobicContact CG1-CG2 3.72Å; V19-T23 WeakPolarHBondContact CG1-OG1 3.3Å; V19-C31 HydrophobicContact CG1-CB 4.1Å
20R86.8Confident78.8Confident199 Ų19990.5 Ų90.575%0.75150%0.498SS*.PPolyproline II helixtrans-65.8143-177.8-73.4-179.8-102.8179.5-4.5110L18 G22 T23L18-R20 PolarHBondContact O-N 3.18Å; R20-G22 PolarHBondContact O-N 3.16Å; R20-T23 VanDerWaalsContact O-CB 3.31Å; R20-T23 WeakPolarHBondContact O-CB 3.12Å; R20-T23 PolarHBondContact O-N 3.23Å; R20-T23 VanDerWaalsContact O-N 3.13Å; R20-T23 PolarHBondContact O-OG1 3.46Å
21D88.2Confident80.4Confident101 Ų10184.6 Ų84.654%0.5447%0.467SS..THydrogen-bonded Turntrans-57.7140170.2-68.8-21.2000109.6C31 K32 S33D21-C31 CarbonylContact C-O 3.59Å; D21-C31 WeakPolarHBondContact CA-O 3.04Å; D21-K32 WeakPolarHBondContact OD1-CA 3.32Å; D21-S33 PolarHBondContact OD1-N 2.8Å
22G87.7Confident81.7Confident53 Ų5379.3 Ų79.355%0.54644%0.444SS..THydrogen-bonded Turntrans92.9-11.7-171.200000115R20 K24 C31R20-G22 PolarHBondContact O-N 3.16Å; G22-K24 PolarHBondContact O-N 3.24Å; G22-C31 PolarHBondContact N-O 3.2Å
23T90.9Very high83Confident60 Ų6082 Ų8237%0.36846%0.463SS..  trans-68.1133.4179-520000111.1V19 R20 C25 L30 C31V19-T23 VanDerWaalsContact CG1-CB 3.42Å; V19-T23 HydrophobicContact CG1-CG2 3.72Å; V19-T23 WeakPolarHBondContact CG1-OG1 3.3Å; R20-T23 VanDerWaalsContact O-CB 3.31Å; R20-T23 WeakPolarHBondContact O-CB 3.12Å; R20-T23 PolarHBondContact O-N 3.23Å; R20-T23 VanDerWaalsContact O-N 3.13Å; R20-T23 PolarHBondContact O-OG1 3.46Å; T23-C25 PolarHBondContact O-N 3.22Å; T23-L30 CarbonylContact O-C 3.47Å; T23-L30 VanDerWaalsContact O-CA 3.28Å; T23-L30 WeakPolarHBondContact O-CA 3.47Å; T23-C31 PolarHBondContact O-N 3.08Å
24K93Very high84.2Confident166 Ų16682.3 Ų82.372%0.72245%0.452SS*.EExtended strand (participates in β ladder)trans-61.4122.7174.9-174.5-173.8178.9-165.60110G22 G26G22-K24 PolarHBondContact O-N 3.24Å; K24-G26 WeakPolarHBondContact CE-O 3.44Å; K24-G26 WeakPolarHBondContact CG-O 3.23Å
25C93.6Very high85.5Confident26 Ų2679.2 Ų79.218%0.17644%0.44CS..EExtended strand (participates in β ladder)trans-115.7-1.1177.259.50000113.2T23 K29 L30 C36T23-C25 PolarHBondContact O-N 3.22Å; C25-K29 PolarHBondContact N-O 2.81Å; C25-K29 VanDerWaalsContact N-O 3.12Å; C25-K29 VanDerWaalsContact SG-C 3.56Å; C25-L30 VanDerWaalsContact SG-CA 3.5Å; C25-L30 PolarHBondContact SG-N 2.93Å; C25-L30 VanDerWaalsContact SG-N 3.44Å; C25-C36 HydrophobicContact CB-CB 3.87Å; C25-C36 WeakPolarHBondContact CB-SG 3.47Å; C25-C36 WeakPolarHBondContact SG-CA 3.45Å; C25-C36 WeakPolarHBondContact SG-CB 3.26Å; C25-C36 CovalentContact SG-SG 2.03Å; C25-C36 PolarHBondContact SG-SG 3.41Å
26G90.9Very high87.1Confident25 Ų2579.2 Ų79.226%0.25844%0.444SS..EExtended strand (participates in β ladder)trans176.6-173.3175.200000112K24 N28 K29K24-G26 WeakPolarHBondContact CE-O 3.44Å; K24-G26 WeakPolarHBondContact CG-O 3.23Å; G26-N28 PolarHBondContact O-N 3.06Å; G26-K29 PolarHBondContact N-O 2.74Å; G26-K29 PolarHBondContact O-N 3.45Å
27T91.7Very high88.3Confident119 Ų11978 Ų7873%0.7344%0.435SS*.THydrogen-bonded Turntrans-66.8123.9171.3-47.90000109.5K29T27-K29 PolarHBondContact O-N 3.36Å; T27-K29 VanDerWaalsContact O-N 3.15Å
28N87.2Confident89.3Confident106 Ų10679.8 Ų79.857%0.56744%0.439SS*.THydrogen-bonded Turntrans52.829.5-175.3-60.1-29.7000114.6G26 H38 V39G26-N28 PolarHBondContact O-N 3.06Å; N28-H38 WeakPolarHBondContact O-CA 3.12Å; N28-H38 PolarHBondContact O-CD2 2.71Å; N28-H38 VanDerWaalsContact O-CD2 3.24Å; N28-V39 VanDerWaalsContact C-CG2 3.41Å; N28-V39 WeakPolarHBondContact O-CG2 3.32Å; N28-V39 PolarHBondContact O-N 3.38Å
29K91.8Very high89.6Confident98 Ų9879 Ų7943%0.42644%0.437SS..EExtended strand (participates in β ladder)trans-135.1143.1178.4-62.7177.4-174.2-179.80112.4C25 G26 T27 T37C25-K29 PolarHBondContact N-O 2.81Å; C25-K29 VanDerWaalsContact N-O 3.12Å; C25-K29 VanDerWaalsContact SG-C 3.56Å; G26-K29 PolarHBondContact N-O 2.74Å; G26-K29 PolarHBondContact O-N 3.45Å; T27-K29 PolarHBondContact O-N 3.36Å; T27-K29 VanDerWaalsContact O-N 3.15Å; K29-T37 CarbonylContact C-O 3.57Å; K29-T37 VanDerWaalsContact CA-O 3.26Å; K29-T37 WeakPolarHBondContact CA-O 3.45Å
30L91.4Very high89.5Confident30 Ų3080.5 Ų80.516%0.15744%0.442CS..EExtended strand (participates in β ladder)trans-138157.1176.971.281.6000111.9T23 C25 K32 T37 V39 I42T23-L30 CarbonylContact O-C 3.47Å; T23-L30 VanDerWaalsContact O-CA 3.28Å; T23-L30 WeakPolarHBondContact O-CA 3.47Å; C25-L30 VanDerWaalsContact SG-CA 3.5Å; C25-L30 PolarHBondContact SG-N 2.93Å; C25-L30 VanDerWaalsContact SG-N 3.44Å; L30-K32 HydrophobicContact CD1-CB 4.36Å; L30-T37 PolarHBondContact N-O 3.01Å; L30-T37 PolarHBondContact O-N 2.9Å; L30-T37 PolarHBondContact O-OG1 3.11Å; L30-V39 HydrophobicContact CD2-CG2 4.12Å; L30-V39 HydrophobicContact CG-CG2 4.49Å; L30-I42 HydrophobicContact CD1-CD1 3.11Å; L30-I42 HydrophobicContact CD1-CG1 4.37Å; L30-I42 HydrophobicContact CD1-CG2 4.23Å; L30-I42 HydrophobicContact CD2-CD1 3.91Å; L30-I42 HydrophobicContact CD2-CG2 4.47Å; L30-I42 HydrophobicContact CG-CD1 3.37Å
31C92.6Very high88.9Confident16 Ų1677.9 Ų77.911%0.10844%0.438CS..EExtended strand (participates in β ladder)trans-73.6127.5177.5-70.40000111.1V19 D21 G22 T23 G35V19-C31 HydrophobicContact CG1-CB 4.1Å; D21-C31 CarbonylContact C-O 3.59Å; D21-C31 WeakPolarHBondContact CA-O 3.04Å; G22-C31 PolarHBondContact N-O 3.2Å; T23-C31 PolarHBondContact O-N 3.08Å; C31-G35 CarbonylContact C-O 2.98Å; C31-G35 VanDerWaalsContact CA-O 3.28Å; C31-G35 WeakPolarHBondContact CA-O 3.06Å
32K90.2Very high88.1Confident91 Ų9175 Ų7540%0.39642%0.422SS..EExtended strand (participates in β ladder)trans-141126.8170.8179.3177.4177.3-177.60109.2D21 L30 Q34 G35 I42D21-K32 WeakPolarHBondContact OD1-CA 3.32Å; L30-K32 HydrophobicContact CD1-CB 4.36Å; K32-Q34 PolarHBondContact O-N 3.4Å; K32-G35 PolarHBondContact N-O 3.17Å; K32-G35 PolarHBondContact O-N 3.47Å; K32-I42 HydrophobicContact CB-CD1 4.09Å; K32-I42 HydrophobicContact CD-CB 4.45Å; K32-I42 HydrophobicContact CD-CD1 4.12Å; K32-I42 HydrophobicContact CD-CG1 3.74Å; K32-I42 HydrophobicContact CD-CG2 4.04Å
33S85.7Confident87.1Confident98 Ų9878.9 Ų78.969%0.68543%0.426SS*.THydrogen-bonded Turntrans52.241.7-178.3-55.40000112.4D21 G35D21-S33 PolarHBondContact OD1-N 2.8Å; S33-G35 PolarHBondContact O-N 2.81Å; S33-G35 VanDerWaalsContact O-N 3.16Å
34Q85.5Confident85.7Confident145 Ų14584.6 Ų84.668%0.67845%0.449SS*.THydrogen-bonded Turntrans66.23.8-176.6-49.2174.122.900115.6K32K32-Q34 PolarHBondContact O-N 3.4Å
35G89.3Confident84.1Confident30 Ų3084.3 Ų84.331%0.30945%0.447SS..EExtended strand (participates in β ladder)trans-101.9146.8172.700000112.1C31 K32 S33C31-G35 CarbonylContact C-O 2.98Å; C31-G35 VanDerWaalsContact CA-O 3.28Å; C31-G35 WeakPolarHBondContact CA-O 3.06Å; K32-G35 PolarHBondContact N-O 3.17Å; K32-G35 PolarHBondContact O-N 3.47Å; S33-G35 PolarHBondContact O-N 2.81Å; S33-G35 VanDerWaalsContact O-N 3.16Å
36C93.2Very high82.8Confident70 Ų7084.8 Ų84.847%0.47345%0.453SS..EExtended strand (participates in β ladder)trans-88.2106.5171.9-176.20000109.5C25C25-C36 HydrophobicContact CB-CB 3.87Å; C25-C36 WeakPolarHBondContact CB-SG 3.47Å; C25-C36 WeakPolarHBondContact SG-CA 3.45Å; C25-C36 WeakPolarHBondContact SG-CB 3.26Å; C25-C36 CovalentContact SG-SG 2.03Å; C25-C36 PolarHBondContact SG-SG 3.41Å
37T91.5Very high82Confident37 Ų3788.5 Ų88.523%0.22747%0.467CS..EExtended strand (participates in β ladder)trans-115.6152.9-173.544.70000111.4K29 L30 I42K29-T37 CarbonylContact C-O 3.57Å; K29-T37 VanDerWaalsContact CA-O 3.26Å; K29-T37 WeakPolarHBondContact CA-O 3.45Å; L30-T37 PolarHBondContact N-O 3.01Å; L30-T37 PolarHBondContact O-N 2.9Å; L30-T37 PolarHBondContact O-OG1 3.11Å; T37-I42 WeakPolarHBondContact OG1-CD1 3.43Å
38H90.6Very high81.8Confident66 Ų6683.4 Ų83.431%0.30644%0.436SS..EExtended strand (participates in β ladder)trans-66.5140.8178.5-149.7-102.7000110.4N28 D40 Q41N28-H38 WeakPolarHBondContact O-CA 3.12Å; N28-H38 PolarHBondContact O-CD2 2.71Å; N28-H38 VanDerWaalsContact O-CD2 3.24Å; H38-D40 IonicContact CE1-OD2 3.05Å; H38-D40 PolarHBondContact CE1-OD2 3.38Å; H38-D40 IonicContact ND1-OD2 2.71Å; H38-D40 PolarHBondContact ND1-OD2 2.89Å; H38-D40 PolarHBondContact O-N 3.3Å; H38-D40 VanDerWaalsContact O-N 3.16Å; H38-Q41 PolarHBondContact O-N 3.24Å
39V85.6Confident81.7Confident34 Ų3480 Ų8021%0.20642%0.42CS..G310 helixtrans-55-36.8-177.6173.80000111N28 L30 Q41 I42 Q43N28-V39 VanDerWaalsContact C-CG2 3.41Å; N28-V39 WeakPolarHBondContact O-CG2 3.32Å; N28-V39 PolarHBondContact O-N 3.38Å; L30-V39 HydrophobicContact CD2-CG2 4.12Å; L30-V39 HydrophobicContact CG-CG2 4.49Å; V39-Q41 PolarHBondContact O-N 2.84Å; V39-Q41 VanDerWaalsContact O-N 3.1Å; V39-I42 PolarHBondContact O-N 2.94Å; V39-Q43 HydrophobicContact CG1-CB 4.37Å; V39-Q43 VanDerWaalsContact CG1-OE1 3.24Å; V39-Q43 WeakPolarHBondContact O-CB 3.24Å; V39-Q43 PolarHBondContact O-N 3.25Å
40D82.4Confident81.5Confident121 Ų12177.8 Ų77.865%0.64742%0.415SS*.G310 helixtrans-58.3-24.4179.1-55.8-32.2000114.4H38 I42H38-D40 IonicContact CE1-OD2 3.05Å; H38-D40 PolarHBondContact CE1-OD2 3.38Å; H38-D40 IonicContact ND1-OD2 2.71Å; H38-D40 PolarHBondContact ND1-OD2 2.89Å; H38-D40 PolarHBondContact O-N 3.3Å; H38-D40 VanDerWaalsContact O-N 3.16Å; D40-I42 VanDerWaalsContact C-N 3.33Å
41Q74.4Confident81Confident143 Ų14382.4 Ų82.467%0.66844%0.439SS*.G310 helixtrans-85.9-6.6-179.8-65.1-177.74.700113.4H38 V39H38-Q41 PolarHBondContact O-N 3.24Å; V39-Q41 PolarHBondContact O-N 2.84Å; V39-Q41 VanDerWaalsContact O-N 3.1Å
42I72Confident80.3Confident42 Ų4285.4 Ų85.422%0.21545%0.454CS..THydrogen-bonded Turntrans-126.3-36.9-165.6-51.1165.6000110.3L30 K32 T37 V39 D40 Q44L30-I42 HydrophobicContact CD1-CD1 3.11Å; L30-I42 HydrophobicContact CD1-CG1 4.37Å; L30-I42 HydrophobicContact CD1-CG2 4.23Å; L30-I42 HydrophobicContact CD2-CD1 3.91Å; L30-I42 HydrophobicContact CD2-CG2 4.47Å; L30-I42 HydrophobicContact CG-CD1 3.37Å; K32-I42 HydrophobicContact CB-CD1 4.09Å; K32-I42 HydrophobicContact CD-CB 4.45Å; K32-I42 HydrophobicContact CD-CD1 4.12Å; K32-I42 HydrophobicContact CD-CG1 3.74Å; K32-I42 HydrophobicContact CD-CG2 4.04Å; T37-I42 WeakPolarHBondContact OG1-CD1 3.43Å; V39-I42 PolarHBondContact O-N 2.94Å; D40-I42 VanDerWaalsContact C-N 3.33Å; I42-Q44 PolarHBondContact O-N 2.86Å
43Q65.3Low79.6Confident133 Ų13388.1 Ų88.162%0.62148%0.478SS*.SBendtrans-63.8104170.6-153.4140.736.800106.9V39 K45V39-Q43 HydrophobicContact CG1-CB 4.37Å; V39-Q43 VanDerWaalsContact CG1-OE1 3.24Å; V39-Q43 WeakPolarHBondContact O-CB 3.24Å; V39-Q43 PolarHBondContact O-N 3.25Å; Q43-K45 VanDerWaalsContact C-N 3.28Å; Q43-K45 PolarHBondContact O-N 2.96Å
44Q61.1Low79.3Confident181 Ų18187.7 Ų87.785%0.84648%0.481SS*.  trans-53.4109.8154.8-67.8-175.928.200103.8I42 A46I42-Q44 PolarHBondContact O-N 2.86Å; Q44-A46 VanDerWaalsContact C-N 3.33Å; Q44-A46 PolarHBondContact O-N 2.65Å
45K61.2Low79.2Confident160 Ų16084.8 Ų84.870%0.69647%0.469SS*.  trans-54.1103.9-177.8-174.4165.8168.2-78.10106.3Q43 D47Q43-K45 VanDerWaalsContact C-N 3.28Å; Q43-K45 PolarHBondContact O-N 2.96Å; K45-D47 VanDerWaalsContact C-N 3.28Å; K45-D47 IonicContact NZ-OD1 2.75Å; K45-D47 PolarHBondContact NZ-OD1 3.24Å; K45-D47 PolarHBondContact O-N 3.2Å
46A65.2Low79Confident35 Ų3589.2 Ų89.229%0.28948%0.482SS..  trans-69.196.7179.600000105.5Q44 C48Q44-A46 VanDerWaalsContact C-N 3.33Å; Q44-A46 PolarHBondContact O-N 2.65Å; A46-C48 PolarHBondContact O-N 2.95Å
47D74.9Confident78.9Confident104 Ų10485.9 Ų85.956%0.55646%0.459SS*.  trans-79.475.6178.8-76.2-31.3000107.7K45K45-D47 VanDerWaalsContact C-N 3.28Å; K45-D47 IonicContact NZ-OD1 2.75Å; K45-D47 PolarHBondContact NZ-OD1 3.24Å; K45-D47 PolarHBondContact O-N 3.2Å
48C85.9Confident78.9Confident12 Ų1284.8 Ų84.88%0.08145%0.453CS..  trans-71.9141169.2-90.40000110.2A46 C63 N67A46-C48 PolarHBondContact O-N 2.95Å; C48-C63 HydrophobicContact CB-CB 3.78Å; C48-C63 WeakPolarHBondContact CB-SG 3.37Å; C48-C63 WeakPolarHBondContact SG-CA 3.28Å; C48-C63 WeakPolarHBondContact SG-CB 3.31Å; C48-C63 CovalentContact SG-SG 2.02Å; C48-C63 PolarHBondContact SG-SG 3.16Å; C48-N67 VanDerWaalsContact SG-C 3.57Å
49P86.2Confident78.9Confident35 Ų3583.4 Ų83.423%0.22746%0.456CS..  trans-62.9140.6178.328.8-36.7000110.7C57 N67 C69 F78 D79P49-C57 PolarHBondContact O-N 3.43Å; P49-N67 WeakPolarHBondContact CD-O 3.26Å; P49-C69 PolarHBondContact O-SG 2.85Å; P49-C69 VanDerWaalsContact O-SG 3.39Å; P49-F78 HydrophobicContact CB-CD2 3.46Å; P49-F78 VanDerWaalsContact CB-CD2 3.46Å; P49-F78 HydrophobicContact CB-CE2 3.66Å; P49-F78 HydrophobicContact CG-CD2 3.83Å; P49-F78 WeakPolarHBondContact CG-O 3.49Å; P49-D79 HydrophobicContact CB-CB 4.11Å
50T86.8Confident79.2Confident51 Ų5184.5 Ų84.531%0.31346%0.459SS..  trans-150.6144176.8-175.50000110.9N52 L55 S58T50-N52 VanDerWaalsContact C-N 3.28Å; T50-N52 WeakPolarHBondContact CG2-O 3.31Å; T50-N52 PolarHBondContact OG1-N 3.1Å; T50-N52 PolarHBondContact OG1-O 3.18Å; T50-L55 WeakPolarHBondContact CB-O 3.31Å; T50-L55 PolarHBondContact OG1-O 3.31Å; T50-S58 PolarHBondContact OG1-N 3.48Å
51N82Confident79.7Confident126 Ų12679.6 Ų79.667%0.67444%0.437SS*.SBendtrans-81.1-11.8167.2-169.415000111.9S58 D79N51-S58 PolarHBondContact N-OG 3.38Å; N51-D79 WeakPolarHBondContact CB-OD2 3.45Å
52N78Confident80.5Confident79 Ų7977 Ų7742%0.42243%0.431SS..SBendtrans-128.8116.4-178.4-167.3-11.4000110.6T50 A54 L55T50-N52 VanDerWaalsContact C-N 3.28Å; T50-N52 WeakPolarHBondContact CG2-O 3.31Å; T50-N52 PolarHBondContact OG1-N 3.1Å; T50-N52 PolarHBondContact OG1-O 3.18Å; N52-A54 PolarHBondContact O-N 3.38Å; N52-A54 PolarHBondContact OD1-N 3.02Å; N52-L55 HydrophobicContact CB-CB 4.46Å; N52-L55 PolarHBondContact O-N 2.84Å
53V75.7Confident81.5Confident149 Ų14976.4 Ų76.490%0.90343%0.431SS*.THydrogen-bonded Turntrans-57-25.4-174.3-174.20000112.8
54A78Confident82.6Confident89 Ų8972 Ų7274%0.73641%0.413SS*.THydrogen-bonded Turntrans-84.5-20.8-179.700000114.4N52N52-A54 PolarHBondContact O-N 3.38Å; N52-A54 PolarHBondContact OD1-N 3.02Å
55L83.6Confident83.7Confident83 Ų8370.5 Ų70.544%0.43541%0.411SS..SBendtrans-123.4120.6-171.2-66168.8000109.4T50 N52T50-L55 WeakPolarHBondContact CB-O 3.31Å; T50-L55 PolarHBondContact OG1-O 3.31Å; N52-L55 HydrophobicContact CB-CB 4.46Å; N52-L55 PolarHBondContact O-N 2.84Å
56Q86.3Confident84.8Confident123 Ų12369 Ų6958%0.57541%0.409SS*.G310 helixtrans-65.1142170.7-65.6178.10.900109.4S58 G59Q56-S58 PolarHBondContact O-N 2.79Å; Q56-G59 PolarHBondContact O-N 3.46Å
57C90.8Very high85.8Confident0 Ų071 Ų710%042%0.415CS..G310 helixtrans5339.5-179.2-56.30000113.3P49 G59 H60 C69 D79 C80P49-C57 PolarHBondContact O-N 3.43Å; C57-G59 PolarHBondContact O-N 2.78Å; C57-H60 PolarHBondContact O-N 3.31Å; C57-C69 WeakPolarHBondContact CA-SG 3.28Å; C57-C69 HydrophobicContact CB-CB 3.59Å; C57-C69 WeakPolarHBondContact CB-SG 3.34Å; C57-C69 WeakPolarHBondContact SG-CA 3.3Å; C57-C69 WeakPolarHBondContact SG-CB 3.47Å; C57-C69 CovalentContact SG-SG 2.03Å; C57-C69 PolarHBondContact SG-SG 2.75Å; C57-D79 CarbonylContact C-O 3.53Å; C57-C80 WeakPolarHBondContact O-CB 3.41Å
58S90.6Very high86.5Confident15 Ų1569.4 Ų69.411%0.10541%0.41CS..G310 helixtrans52.615.2-176.3-50.10000115.3T50 N51 Q56 H60 D79T50-S58 PolarHBondContact OG1-N 3.48Å; N51-S58 PolarHBondContact N-OG 3.38Å; Q56-S58 PolarHBondContact O-N 2.79Å; S58-H60 VanDerWaalsContact C-N 3.33Å; S58-H60 PolarHBondContact O-CD2 2.85Å; S58-D79 WeakPolarHBondContact CB-O 3.22Å; S58-D79 PolarHBondContact N-O 2.8Å; S58-D79 PolarHBondContact OG-O 3.23Å
59G91.1Very high86.8Confident36 Ų3669.8 Ų69.837%0.37141%0.412SS..G310 helixtrans79.711.6-176.100000114.6Q56 C57Q56-G59 PolarHBondContact O-N 3.46Å; C57-G59 PolarHBondContact O-N 2.78Å
60H92.3Very high87.2Confident58 Ų5874.3 Ų74.327%0.26943%0.43SS..SBendtrans-130.730.8-174.8-62.2-48000112.4C57 S58 C71 D72 W75 C80C57-H60 PolarHBondContact O-N 3.31Å; S58-H60 VanDerWaalsContact C-N 3.33Å; S58-H60 PolarHBondContact O-CD2 2.85Å; H60-C71 WeakPolarHBondContact O-CA 3.38Å; H60-D72 VanDerWaalsContact C-OD2 3.23Å; H60-D72 WeakPolarHBondContact CA-OD2 3.25Å; H60-D72 PolarHBondContact O-N 3.15Å; H60-W75 HydrophobicContact CB-CB 4.02Å; H60-W75 HydrophobicContact CB-CD2 3.57Å; H60-W75 HydrophobicContact CB-CE3 4.09Å; H60-W75 HydrophobicContact CB-CG 3.52Å; H60-W75 AromaticContact CD2-CD2 3.57Å; H60-W75 AromaticContact CD2-CE2 3.46Å; H60-W75 VanDerWaalsContact CD2-CE2 3.46Å; H60-W75 AromaticContact CD2-CE3 3.5Å; H60-W75 AromaticContact CD2-CH2 3.27Å; H60-W75 WeakPolarHBondContact CD2-CH2 3.37Å; H60-W75 AromaticContact CD2-CZ2 3.35Å; H60-W75 WeakPolarHBondContact CD2-CZ2 3.46Å; H60-W75 AromaticContact CD2-CZ3 3.34Å; H60-W75 WeakPolarHBondContact CD2-CZ3 3.28Å; H60-W75 AromaticContact CE1-CE2 3.7Å; H60-W75 AromaticContact CE1-CH2 3.83Å; H60-W75 AromaticContact CE1-CZ2 3.32Å; H60-W75 WeakPolarHBondContact CE1-CZ2 3.4Å; H60-W75 AromaticContact CG-CD1 3.96Å; H60-W75 AromaticContact CG-CD2 3.44Å; H60-W75 VanDerWaalsContact CG-CD2 3.44Å; H60-W75 AromaticContact CG-CE2 3.29Å; H60-W75 AromaticContact CG-CE3 3.85Å; H60-W75 AromaticContact CG-CG 3.89Å; H60-W75 AromaticContact CG-CZ2 3.62Å; H60-W75 AromaticContact CG-NE1 3.59Å; H60-W75 AromaticContact ND1-CE2 3.45Å; H60-W75 AromaticContact ND1-CZ2 3.6Å; H60-W75 AromaticContact ND1-NE1 3.48Å; H60-W75 PolarHBondContact ND1-NE1 2.03Å; H60-W75 AromaticContact NE2-CE2 3.72Å; H60-W75 AromaticContact NE2-CH2 3.14Å; H60-W75 WeakPolarHBondContact NE2-CH2 2.98Å; H60-W75 AromaticContact NE2-CZ2 3.14Å; H60-W75 WeakPolarHBondContact NE2-CZ2 3.43Å; H60-W75 AromaticContact NE2-CZ3 3.74Å; H60-C80 HydrophobicContact CB-CB 4.04Å; H60-C80 WeakPolarHBondContact O-CB 3.38Å
61G91.8Very high87.5Confident17 Ų1773.3 Ų73.318%0.17543%0.425CS..EExtended strand (participates in β ladder)trans-174.6170.9176.700000113.3H70G61-H70 CarbonylContact C-O 3.49Å; G61-H70 WeakPolarHBondContact CA-O 3.47Å
62T92.1Very high88.1Confident89 Ų8971 Ų7155%0.54641%0.412SS..EExtended strand (participates in β ladder)trans-105.8133.2178.2-58.10000110.4H70T62-H70 PolarHBondContact N-O 3.12Å; T62-H70 PolarHBondContact O-N 3.49Å
63C91.6Very high88.7Confident30 Ų3073.2 Ų73.220%0.20343%0.428CS..EExtended strand (participates in β ladder)trans-75.3125.4176.7-174.80000110.8C48C48-C63 HydrophobicContact CB-CB 3.78Å; C48-C63 WeakPolarHBondContact CB-SG 3.37Å; C48-C63 WeakPolarHBondContact SG-CA 3.28Å; C48-C63 WeakPolarHBondContact SG-CB 3.31Å; C48-C63 CovalentContact SG-SG 2.02Å; C48-C63 PolarHBondContact SG-SG 3.16Å
64T88.8Confident89.3Confident41 Ų4167 Ų6725%0.25239%0.394SS..  trans-86.6166.7177.673.70000111.9L66 N67 T68 H70T64-L66 PolarHBondContact O-N 2.79Å; T64-L66 VanDerWaalsContact O-N 3.08Å; T64-L66 PolarHBondContact OG1-N 3.5Å; T64-N67 PolarHBondContact O-N 2.8Å; T64-N67 VanDerWaalsContact O-N 3.07Å; T64-T68 WeakPolarHBondContact CG2-O 3.45Å; T64-T68 PolarHBondContact N-O 3.47Å; T64-T68 PolarHBondContact OG1-N 2.8Å; T64-T68 PolarHBondContact OG1-O 2.83Å; T64-T68 PolarHBondContact OG1-OG1 3.29Å; T64-H70 HydrophobicContact CG2-CB 4.28Å
65N85Confident90.1Very high149 Ų14965.5 Ų65.580%0.79737%0.37SS*.THydrogen-bonded Turntrans-65.5-5.9172.769.1-65.1000114
66L84.9Confident90.3Very high128 Ų12863.2 Ų63.267%0.6736%0.361SS*.THydrogen-bonded Turntrans-9910.2175.3-59.6177000112.2T64 T68T64-L66 PolarHBondContact O-N 2.79Å; T64-L66 VanDerWaalsContact O-N 3.08Å; T64-L66 PolarHBondContact OG1-N 3.5Å; L66-T68 HydrophobicContact CB-CG2 4.39Å; L66-T68 PolarHBondContact O-N 3.13Å
67N85.8Confident90.4Very high77 Ų7759.6 Ų59.641%0.41235%0.351SS..SBendtrans57.333.6-174.2-59.5-5.2000112.9C48 P49 T64C48-N67 VanDerWaalsContact SG-C 3.57Å; P49-N67 WeakPolarHBondContact CD-O 3.26Å; T64-N67 PolarHBondContact O-N 2.8Å; T64-N67 VanDerWaalsContact O-N 3.07Å
68T88.9Confident90.3Very high71 Ų7166.7 Ų66.744%0.43638%0.383SS..  trans-113.1151.8174.162.60000110.3T64 L66T64-T68 WeakPolarHBondContact CG2-O 3.45Å; T64-T68 PolarHBondContact N-O 3.47Å; T64-T68 PolarHBondContact OG1-N 2.8Å; T64-T68 PolarHBondContact OG1-O 2.83Å; T64-T68 PolarHBondContact OG1-OG1 3.29Å; L66-T68 HydrophobicContact CB-CG2 4.39Å; L66-T68 PolarHBondContact O-N 3.13Å
69C92.9Very high90.4Very high20 Ų2066.4 Ų66.414%0.13538%0.38CS..EExtended strand (participates in β ladder)trans-92.5126.4177.9-69.70000111.5P49 C57 F78 C80P49-C69 PolarHBondContact O-SG 2.85Å; P49-C69 VanDerWaalsContact O-SG 3.39Å; C57-C69 WeakPolarHBondContact CA-SG 3.28Å; C57-C69 HydrophobicContact CB-CB 3.59Å; C57-C69 WeakPolarHBondContact CB-SG 3.34Å; C57-C69 WeakPolarHBondContact SG-CA 3.3Å; C57-C69 WeakPolarHBondContact SG-CB 3.47Å; C57-C69 CovalentContact SG-SG 2.03Å; C57-C69 PolarHBondContact SG-SG 2.75Å; C69-F78 WeakPolarHBondContact CB-O 3.46Å; C69-C80 VanDerWaalsContact CB-SG 3.55Å
70H93.4Very high90.4Very high130 Ų13064.7 Ų64.760%0.60236%0.362SS*.EExtended strand (participates in β ladder)trans-92.6106.9167.1-177.769.7000108.9G61 T62 T64G61-H70 CarbonylContact C-O 3.49Å; G61-H70 WeakPolarHBondContact CA-O 3.47Å; T62-H70 PolarHBondContact N-O 3.12Å; T62-H70 PolarHBondContact O-N 3.49Å; T64-H70 HydrophobicContact CG2-CB 4.28Å
71C94.1Very high90.4Very high30 Ų3064.1 Ų64.120%0.20336%0.364CS..EExtended strand (participates in β ladder)trans-79.4145.3-171.4-540000113.5H60 W75 A77 C80H60-C71 WeakPolarHBondContact O-CA 3.38Å; C71-W75 HydrophobicContact CB-CB 4.12Å; C71-W75 WeakPolarHBondContact CB-O 3.42Å; C71-A77 PolarHBondContact SG-O 3.42Å; C71-C80 WeakPolarHBondContact CA-SG 3.27Å; C71-C80 HydrophobicContact CB-CB 3.77Å; C71-C80 WeakPolarHBondContact CB-SG 3.27Å; C71-C80 WeakPolarHBondContact SG-CA 3.46Å; C71-C80 WeakPolarHBondContact SG-CB 3.23Å; C71-C80 CovalentContact SG-SG 2.04Å; C71-C80 PolarHBondContact SG-SG 3.36Å
72D93.8Very high90.3Very high78 Ų7869.1 Ų69.142%0.41738%0.382SS..PPolyproline II helixtrans-66157.8172.6-61.3-32.3000110.9H60 G74 W75H60-D72 VanDerWaalsContact C-OD2 3.23Å; H60-D72 WeakPolarHBondContact CA-OD2 3.25Å; H60-D72 PolarHBondContact O-N 3.15Å; D72-G74 PolarHBondContact O-N 2.88Å; D72-W75 PolarHBondContact O-N 3.4Å
73V90.9Very high90.2Very high124 Ų12471.8 Ų71.875%0.75239%0.386SS*.THydrogen-bonded Turntrans-56.5125.4-179.8-177.70000110.4
74G89.4Confident89.9Confident18 Ų1872.1 Ų72.119%0.18639%0.385CS..THydrogen-bonded Turntrans92.40.9-176.300000114.9D72 K83 L84 Y88D72-G74 PolarHBondContact O-N 2.88Å; G74-K83 CarbonylContact O-C 3.56Å; G74-K83 WeakPolarHBondContact O-CA 3.3Å; G74-L84 PolarHBondContact O-N 2.87Å; G74-Y88 WeakPolarHBondContact CA-OH 3.49Å; G74-Y88 PolarHBondContact N-OH 2.96Å; G74-Y88 VanDerWaalsContact N-OH 3.15Å
75W93.3Very high89.4Confident59 Ų5976.1 Ų76.122%0.22341%0.405CS..EExtended strand (participates in β ladder)trans-118.3147.8173.6-62.894000111.9H60 C71 D72 C80 F82 K83H60-W75 HydrophobicContact CB-CB 4.02Å; H60-W75 HydrophobicContact CB-CD2 3.57Å; H60-W75 HydrophobicContact CB-CE3 4.09Å; H60-W75 HydrophobicContact CB-CG 3.52Å; H60-W75 AromaticContact CD2-CD2 3.57Å; H60-W75 AromaticContact CD2-CE2 3.46Å; H60-W75 VanDerWaalsContact CD2-CE2 3.46Å; H60-W75 AromaticContact CD2-CE3 3.5Å; H60-W75 AromaticContact CD2-CH2 3.27Å; H60-W75 WeakPolarHBondContact CD2-CH2 3.37Å; H60-W75 AromaticContact CD2-CZ2 3.35Å; H60-W75 WeakPolarHBondContact CD2-CZ2 3.46Å; H60-W75 AromaticContact CD2-CZ3 3.34Å; H60-W75 WeakPolarHBondContact CD2-CZ3 3.28Å; H60-W75 AromaticContact CE1-CE2 3.7Å; H60-W75 AromaticContact CE1-CH2 3.83Å; H60-W75 AromaticContact CE1-CZ2 3.32Å; H60-W75 WeakPolarHBondContact CE1-CZ2 3.4Å; H60-W75 AromaticContact CG-CD1 3.96Å; H60-W75 AromaticContact CG-CD2 3.44Å; H60-W75 VanDerWaalsContact CG-CD2 3.44Å; H60-W75 AromaticContact CG-CE2 3.29Å; H60-W75 AromaticContact CG-CE3 3.85Å; H60-W75 AromaticContact CG-CG 3.89Å; H60-W75 AromaticContact CG-CZ2 3.62Å; H60-W75 AromaticContact CG-NE1 3.59Å; H60-W75 AromaticContact ND1-CE2 3.45Å; H60-W75 AromaticContact ND1-CZ2 3.6Å; H60-W75 AromaticContact ND1-NE1 3.48Å; H60-W75 PolarHBondContact ND1-NE1 2.03Å; H60-W75 AromaticContact NE2-CE2 3.72Å; H60-W75 AromaticContact NE2-CH2 3.14Å; H60-W75 WeakPolarHBondContact NE2-CH2 2.98Å; H60-W75 AromaticContact NE2-CZ2 3.14Å; H60-W75 WeakPolarHBondContact NE2-CZ2 3.43Å; H60-W75 AromaticContact NE2-CZ3 3.74Å; C71-W75 HydrophobicContact CB-CB 4.12Å; C71-W75 WeakPolarHBondContact CB-O 3.42Å; D72-W75 PolarHBondContact O-N 3.4Å; W75-C80 HydrophobicContact CB-CB 4.41Å; W75-F82 CarbonylContact C-O 3.5Å; W75-F82 WeakPolarHBondContact CA-O 3.35Å; W75-K83 HydrophobicContact CD2-CB 4.35Å; W75-K83 HydrophobicContact CE3-CB 3.91Å; W75-K83 HydrophobicContact CH2-CB 3.92Å; W75-K83 HydrophobicContact CH2-CD 4.26Å; W75-K83 HydrophobicContact CH2-CG 4.38Å; W75-K83 HydrophobicContact CZ2-CB 4.34Å; W75-K83 HydrophobicContact CZ2-CD 4.17Å; W75-K83 HydrophobicContact CZ2-CG 4.33Å; W75-K83 HydrophobicContact CZ3-CB 3.69Å
76S88.8Confident88.3Confident35 Ų3579 Ų7925%0.24541%0.41CS..EExtended strand (participates in β ladder)trans-150.8-170.4176.361.50000110.3C80 S81 F82 L84S76-C80 CarbonylContact O-C 3.33Å; S76-C80 VanDerWaalsContact O-CA 3.27Å; S76-C80 WeakPolarHBondContact O-CA 3.26Å; S76-S81 PolarHBondContact O-N 3.39Å; S76-F82 PolarHBondContact N-O 3.26Å; S76-F82 WeakPolarHBondContact O-CB 3.28Å; S76-F82 PolarHBondContact O-N 3.3Å; S76-F82 WeakPolarHBondContact OG-CD1 3.43Å; S76-F82 PolarHBondContact OG-O 3.44Å; S76-L84 VanDerWaalsContact CB-CD1 3.49Å; S76-L84 WeakPolarHBondContact OG-CD1 3.14Å; S76-L84 WeakPolarHBondContact OG-CG 3.22Å
77A88.1Confident87.1Confident46 Ų4678 Ų7838%0.3842%0.415SS..SBendtrans78.9160.5-161.200000112.8C71 D79 C80 F82C71-A77 PolarHBondContact SG-O 3.42Å; A77-D79 WeakPolarHBondContact CB-OD1 3.35Å; A77-D79 PolarHBondContact O-N 2.88Å; A77-D79 VanDerWaalsContact O-N 3.15Å; A77-C80 PolarHBondContact O-N 3.49Å; A77-C80 VanDerWaalsContact O-N 3.1Å; A77-F82 HydrophobicContact CB-CB 4.03Å
78F89.6Confident85.7Confident150 Ų15079.1 Ų79.166%0.65841%0.414SS*.THydrogen-bonded Turntrans-61.2-23.1-17666.2-84.1000113P49 C69P49-F78 HydrophobicContact CB-CD2 3.46Å; P49-F78 VanDerWaalsContact CB-CD2 3.46Å; P49-F78 HydrophobicContact CB-CE2 3.66Å; P49-F78 HydrophobicContact CG-CD2 3.83Å; P49-F78 WeakPolarHBondContact CG-O 3.49Å; C69-F78 WeakPolarHBondContact CB-O 3.46Å
79D91.1Very high83.8Confident9 Ų981.3 Ų81.35%0.04843%0.427CS..THydrogen-bonded Turntrans-112.88.5-179.565.3-13000113.1P49 N51 C57 S58 A77 S81P49-D79 HydrophobicContact CB-CB 4.11Å; N51-D79 WeakPolarHBondContact CB-OD2 3.45Å; C57-D79 CarbonylContact C-O 3.53Å; S58-D79 WeakPolarHBondContact CB-O 3.22Å; S58-D79 PolarHBondContact N-O 2.8Å; S58-D79 PolarHBondContact OG-O 3.23Å; A77-D79 WeakPolarHBondContact CB-OD1 3.35Å; A77-D79 PolarHBondContact O-N 2.88Å; A77-D79 VanDerWaalsContact O-N 3.15Å; D79-S81 VanDerWaalsContact CG-OG 3.26Å; D79-S81 PolarHBondContact O-N 2.87Å; D79-S81 VanDerWaalsContact OD1-CB 3.28Å; D79-S81 WeakPolarHBondContact OD1-CB 3.44Å; D79-S81 PolarHBondContact OD1-N 3.31Å; D79-S81 VanDerWaalsContact OD1-N 3.1Å; D79-S81 PolarHBondContact OD1-OG 2.9Å; D79-S81 WeakPolarHBondContact OD2-CB 3.49Å; D79-S81 PolarHBondContact OD2-OG 2.88Å
80C92.4Very high81.6Confident0 Ų083.6 Ų83.60%044%0.443CS..SBendtrans55.926.6-174.7-48.80000115.3C57 H60 C69 C71 W75 S76 A77C57-C80 WeakPolarHBondContact O-CB 3.41Å; H60-C80 HydrophobicContact CB-CB 4.04Å; H60-C80 WeakPolarHBondContact O-CB 3.38Å; C69-C80 VanDerWaalsContact CB-SG 3.55Å; C71-C80 WeakPolarHBondContact CA-SG 3.27Å; C71-C80 HydrophobicContact CB-CB 3.77Å; C71-C80 WeakPolarHBondContact CB-SG 3.27Å; C71-C80 WeakPolarHBondContact SG-CA 3.46Å; C71-C80 WeakPolarHBondContact SG-CB 3.23Å; C71-C80 CovalentContact SG-SG 2.04Å; C71-C80 PolarHBondContact SG-SG 3.36Å; W75-C80 HydrophobicContact CB-CB 4.41Å; S76-C80 CarbonylContact O-C 3.33Å; S76-C80 VanDerWaalsContact O-CA 3.27Å; S76-C80 WeakPolarHBondContact O-CA 3.26Å; A77-C80 PolarHBondContact O-N 3.49Å; A77-C80 VanDerWaalsContact O-N 3.1Å
81S91.5Very high79.4Confident45 Ų4584.8 Ų84.832%0.31545%0.452SS..  trans-80.6-16.9-18062.90000114.3S76 D79S76-S81 PolarHBondContact O-N 3.39Å; D79-S81 VanDerWaalsContact CG-OG 3.26Å; D79-S81 PolarHBondContact O-N 2.87Å; D79-S81 VanDerWaalsContact OD1-CB 3.28Å; D79-S81 WeakPolarHBondContact OD1-CB 3.44Å; D79-S81 PolarHBondContact OD1-N 3.31Å; D79-S81 VanDerWaalsContact OD1-N 3.1Å; D79-S81 PolarHBondContact OD1-OG 2.9Å; D79-S81 WeakPolarHBondContact OD2-CB 3.49Å; D79-S81 PolarHBondContact OD2-OG 2.88Å
82F90.3Very high77.4Confident122 Ų12285.8 Ų85.854%0.53546%0.463SS..EExtended strand (participates in β ladder)trans-97.3107.5-173.8-171.2-98.1000111.8W75 S76 A77 L84W75-F82 CarbonylContact C-O 3.5Å; W75-F82 WeakPolarHBondContact CA-O 3.35Å; S76-F82 PolarHBondContact N-O 3.26Å; S76-F82 WeakPolarHBondContact O-CB 3.28Å; S76-F82 PolarHBondContact O-N 3.3Å; S76-F82 WeakPolarHBondContact OG-CD1 3.43Å; S76-F82 PolarHBondContact OG-O 3.44Å; A77-F82 HydrophobicContact CB-CB 4.03Å; F82-L84 HydrophobicContact CD1-CD2 4.1Å; F82-L84 HydrophobicContact CD1-CG 4.09Å; F82-L84 HydrophobicContact CE1-CD2 4Å; F82-L84 HydrophobicContact CE1-CG 4.29Å; F82-L84 PolarHBondContact O-N 2.88Å
83K89.9Confident75Confident146 Ų14688 Ų8864%0.63548%0.481SS*.EExtended strand (participates in β ladder)trans-73.7120.1171-168.8173.3-174.3171.30109.9G74 W75 N85G74-K83 CarbonylContact O-C 3.56Å; G74-K83 WeakPolarHBondContact O-CA 3.3Å; W75-K83 HydrophobicContact CD2-CB 4.35Å; W75-K83 HydrophobicContact CE3-CB 3.91Å; W75-K83 HydrophobicContact CH2-CB 3.92Å; W75-K83 HydrophobicContact CH2-CD 4.26Å; W75-K83 HydrophobicContact CH2-CG 4.38Å; W75-K83 HydrophobicContact CZ2-CB 4.34Å; W75-K83 HydrophobicContact CZ2-CD 4.17Å; W75-K83 HydrophobicContact CZ2-CG 4.33Å; W75-K83 HydrophobicContact CZ3-CB 3.69Å; K83-N85 PolarHBondContact O-N 3.39Å
84L85.7Confident72.9Confident37 Ų3787 Ų8719%0.19448%0.48CS..PPolyproline II helixtrans-79.5126.2177-65.2135.6000109.2G74 S76 F82 Y88G74-L84 PolarHBondContact O-N 2.87Å; S76-L84 VanDerWaalsContact CB-CD1 3.49Å; S76-L84 WeakPolarHBondContact OG-CD1 3.14Å; S76-L84 WeakPolarHBondContact OG-CG 3.22Å; F82-L84 HydrophobicContact CD1-CD2 4.1Å; F82-L84 HydrophobicContact CD1-CG 4.09Å; F82-L84 HydrophobicContact CE1-CD2 4Å; F82-L84 HydrophobicContact CE1-CG 4.29Å; F82-L84 PolarHBondContact O-N 2.88Å; L84-Y88 HydrophobicContact CB-CD1 3.28Å; L84-Y88 HydrophobicContact CB-CE1 2.98Å; L84-Y88 HydrophobicContact CB-CG 4.39Å; L84-Y88 HydrophobicContact CD1-CD1 3.87Å; L84-Y88 HydrophobicContact CD1-CD2 4.34Å; L84-Y88 HydrophobicContact CD1-CE1 3.19Å; L84-Y88 HydrophobicContact CD1-CE2 3.66Å; L84-Y88 HydrophobicContact CD1-CG 4.43Å; L84-Y88 WeakPolarHBondContact CD1-OH 3.24Å; L84-Y88 HydrophobicContact CD2-CD1 3.62Å; L84-Y88 HydrophobicContact CD2-CD2 4.38Å; L84-Y88 HydrophobicContact CD2-CE1 3.86Å; L84-Y88 HydrophobicContact CD2-CG 3.95Å; L84-Y88 HydrophobicContact CG-CD1 3.72Å; L84-Y88 HydrophobicContact CG-CE1 3.45Å; L84-Y88 VanDerWaalsContact CG-CE1 3.45Å; L84-Y88 HydrophobicContact CG-CG 4.45Å
85N78.5Confident70.9Confident124 Ų12492.7 Ų92.766%0.66351%0.51SS*.PPolyproline II helixtrans-65.4151.1164.476.334.9000108.1K83 S87K83-N85 PolarHBondContact O-N 3.39Å; N85-S87 PolarHBondContact O-N 3.37Å; N85-S87 PolarHBondContact OD1-N 3.23Å
86K61.8Low68.2Low209 Ų20992.8 Ų92.891%0.90953%0.53SS*.THydrogen-bonded Turntrans-58.920.4-170.2-81.1173.5169.1177.40116.8
87S58.2Low66.1Low109 Ų10999 Ų9976%0.76256%0.559SS**THydrogen-bonded Turntrans-100-0.2178.9-67.90000115.4N85N85-S87 PolarHBondContact O-N 3.37Å; N85-S87 PolarHBondContact OD1-N 3.23Å
88Y56.5Low63.7Low99 Ų9999.7 Ų99.739%0.38857%0.571SS.*SBendtrans-105.696.4160.590.5-59000107.1G74 L84 S90G74-Y88 WeakPolarHBondContact CA-OH 3.49Å; G74-Y88 PolarHBondContact N-OH 2.96Å; G74-Y88 VanDerWaalsContact N-OH 3.15Å; L84-Y88 HydrophobicContact CB-CD1 3.28Å; L84-Y88 HydrophobicContact CB-CE1 2.98Å; L84-Y88 HydrophobicContact CB-CG 4.39Å; L84-Y88 HydrophobicContact CD1-CD1 3.87Å; L84-Y88 HydrophobicContact CD1-CD2 4.34Å; L84-Y88 HydrophobicContact CD1-CE1 3.19Å; L84-Y88 HydrophobicContact CD1-CE2 3.66Å; L84-Y88 HydrophobicContact CD1-CG 4.43Å; L84-Y88 WeakPolarHBondContact CD1-OH 3.24Å; L84-Y88 HydrophobicContact CD2-CD1 3.62Å; L84-Y88 HydrophobicContact CD2-CD2 4.38Å; L84-Y88 HydrophobicContact CD2-CE1 3.86Å; L84-Y88 HydrophobicContact CD2-CG 3.95Å; L84-Y88 HydrophobicContact CG-CD1 3.72Å; L84-Y88 HydrophobicContact CG-CE1 3.45Å; L84-Y88 VanDerWaalsContact CG-CE1 3.45Å; L84-Y88 HydrophobicContact CG-CG 4.45Å; Y88-S90 PolarHBondContact O-N 3.1Å
89V49Very low61.7Low117 Ų117101.1 Ų101.171%0.70958%0.579SS**  trans-60.8117.8176.5171.30000106.8I91V89-I91 VanDerWaalsContact C-N 3.29Å; V89-I91 PolarHBondContact O-N 3.27Å
90S47.4Very low59.2Low68 Ų68107.2 Ų107.248%0.47662%0.617SS.*  trans-46.4100.3155.7-1740000106.9Y88 A92Y88-S90 PolarHBondContact O-N 3.1Å; S90-A92 PolarHBondContact O-N 2.92Å
91I47.4Very low56.9Low156 Ų156110.5 Ų110.580%0.865%0.651SS**  trans-72.875159.3-53.5178.4000104.2V89V89-I91 VanDerWaalsContact C-N 3.29Å; V89-I91 PolarHBondContact O-N 3.27Å
92A51.9Low54.6Low51 Ų51114.7 Ų114.742%0.42168%0.68SS.*  trans-52.5145.414700000106.5S90 S94S90-A92 PolarHBondContact O-N 2.92Å; A92-S94 PolarHBondContact O-N 3.07Å
93P42.5Very low52.4Low125 Ų125112.2 Ų112.281%0.81269%0.689SS**  trans-7274.4176.331.3-31.9000108.1V95P93-V95 PolarHBondContact O-N 3.05Å; P93-V95 VanDerWaalsContact O-N 3.16Å
94S48.3Very low50.5Low103 Ų103113.3 Ų113.372%0.7270%0.701SS**  trans-82.591.6169.960.20000107.2A92A92-S94 PolarHBondContact O-N 3.07Å
95V46Very low48.5Very low136 Ų136117.3 Ų117.382%0.82473%0.729SS**  trans6.1116.6130.9-179.50000112.6P93P93-V95 PolarHBondContact O-N 3.05Å; P93-V95 VanDerWaalsContact O-N 3.16Å
96G37Very low47.3Very low62 Ų62119 Ų11964%0.63974%0.736SS**  trans-61.7153-167.800000115.2
97I45.7Very low47Very low165 Ų165113.7 Ų113.785%0.84672%0.723SS**  trans-158.3120.4144.8-82127.6000105.2
98G36.7Very low46.4Very low61 Ų61114.9 Ų114.963%0.62973%0.728SS**  trans-79.7149174.400000112.2
99Q47.4Very low46Very low180 Ų180114.1 Ų114.184%0.84174%0.738SS**  trans179.4107.8140-98.3161.777.200112.1
100T38.2Very low46Very low137 Ų137117.5 Ų117.584%0.8474%0.743SS**  39.9120.3128.354.20000121
101G45.8Very low46.2Very low69 Ų69119.3 Ų119.371%0.71175%0.753SS**  trans146.7103.9140.900000117.3
102S42.8Very low45.7Very low133 Ų133119.6 Ų119.693%0.9376%0.756SS**  trans58.5127.9149.551.80000119.4
103G42.9Very low45.1Very low69 Ų69125.2 Ų125.271%0.71177%0.774SS**  cis148.5112.99.200000108
104L50.2Low45.2Very low170 Ų170127.5 Ų127.589%0.8977%0.773SS**  trans-165.7147.2158.9-124.295.5000109.4
105P45.1Very low44.6Very low121 Ų121127.8 Ų127.879%0.78678%0.775SS**  trans-86.6128.9-159.933.5-31.6000112.8
106I53.3Low44.6Very low158 Ų158123.5 Ų123.581%0.8175%0.751SS**  trans-109.3131.8173.7-58.1172.3000108.2
107P55.6Low45.4Very low98 Ų98124.6 Ų124.664%0.63675%0.754SS**  trans-63.2148177.626.5-34.5000112.2S109P107-S109 PolarHBondContact O-N 2.71Å
108P45.6Very low45.9Very low134 Ų134121.9 Ų121.987%0.8774%0.741SS**  trans-83.3106.3-171.833.2-30.7000110.7
109S47Very low47Very low84 Ų84121.9 Ų121.959%0.58773%0.732SS**  trans-167.8110.9171.954.60000107.1P107P107-S109 PolarHBondContact O-N 2.71Å
110F50.2Low47.7Very low188 Ų188116.9 Ų116.983%0.82572%0.716SS**  cis-145.615912.8-77.6-93000107.7D112F110-D112 PolarHBondContact O-N 3.24Å; F110-D112 VanDerWaalsContact O-N 3.13Å
111P49.7Very low49.3Very low106 Ų106118.2 Ų118.269%0.68871%0.706SS**  trans-8591.8-161.733.4-33.1000113.1H113P111-H113 PolarHBondContact O-N 3.03Å; P111-H113 VanDerWaalsContact O-N 3.11Å
112D37.2Very low50.5Low161 Ų161120.8 Ų120.886%0.86170%0.703SS**  trans-83.761.3160.3-70.6-31.7000110.2F110F110-D112 PolarHBondContact O-N 3.24Å; F110-D112 VanDerWaalsContact O-N 3.13Å
113H40.7Very low52.3Low170 Ų170119 Ų11979%0.78768%0.683SS**  trans-157.875.4161.9-95.7-28000108.5P111 S115P111-H113 PolarHBondContact O-N 3.03Å; P111-H113 VanDerWaalsContact O-N 3.11Å; H113-S115 PolarHBondContact O-N 3.16Å
114H43Very low54.4Low172 Ų172119.9 Ų119.980%0.79668%0.675SS**  trans-69.886.7145.1-89.8-65.4000107.6S116H114-S116 PolarHBondContact O-N 2.96Å
115S36.9Very low56.3Low110 Ų110118.6 Ų118.677%0.76966%0.659SS**  trans-51.590.9148.5-63.60000107.8H113H113-S115 PolarHBondContact O-N 3.16Å
116S46.2Very low58.3Low45 Ų45114.8 Ų114.832%0.31564%0.637SS.*  trans-115.585.2176.6-67.50000108H114 D118 S119H114-S116 PolarHBondContact O-N 2.96Å; S116-D118 PolarHBondContact O-N 3.08Å; S116-S119 PolarHBondContact O-N 3.31Å; S116-S119 PolarHBondContact O-OG 2.96Å
117A52.8Low60Low85 Ų85113 Ų11370%0.70263%0.627SS**THydrogen-bonded Turntrans-55.5-2.315700000112.6
118D56.6Low61.9Low108 Ų108113.4 Ų113.458%0.57862%0.623SS**THydrogen-bonded Turntrans-88.3-21.3173.8-65.4-36.1000114.6S116 R121 L122S116-D118 PolarHBondContact O-N 3.08Å; D118-R121 PolarHBondContact O-N 3.46Å; D118-L122 PolarHBondContact O-N 2.88Å
119S59.8Low64.2Low61 Ų61112.2 Ų112.243%0.42761%0.609SS.*Hα-helixtrans-69.4-39.2177.247.20000111.9S116 R121 L122 D123S116-S119 PolarHBondContact O-N 3.31Å; S116-S119 PolarHBondContact O-OG 2.96Å; S119-R121 PolarHBondContact O-N 3.35Å; S119-L122 PolarHBondContact O-N 3.49Å; S119-D123 PolarHBondContact O-N 2.91Å
120S62.9Low66.4Low75 Ų75112.8 Ų112.852%0.52460%0.604SS.*Hα-helixtrans-62.6-30175.3-44.60000113.1T124S120-T124 PolarHBondContact O-N 2.86Å; S120-T124 VanDerWaalsContact O-N 3.13Å; S120-T124 PolarHBondContact O-OG1 2.85Å
121R70.3Confident68.6Low165 Ų165109.6 Ų109.662%0.62360%0.595SS**Hα-helixtrans-72.3-44.5175.3-77.7-170.1166.3-169.5-1.8111.3D118 S119 D123 T124 Y125D118-R121 PolarHBondContact O-N 3.46Å; S119-R121 PolarHBondContact O-N 3.35Å; R121-D123 VanDerWaalsContact C-N 3.28Å; R121-D123 PolarHBondContact O-N 2.97Å; R121-T124 PolarHBondContact O-N 3.45Å; R121-Y125 HydrophobicContact CB-CD2 4.39Å; R121-Y125 HydrophobicContact CB-CE2 4.31Å; R121-Y125 WeakPolarHBondContact O-CD2 2.98Å; R121-Y125 PolarHBondContact O-N 2.92Å
122L72.7Confident70.8Confident123 Ų123106.2 Ų106.264%0.64458%0.579SS**Hα-helixtrans-60.8-38.7175.9-73154.8000111.3D118 S119 Y125 A126D118-L122 PolarHBondContact O-N 2.88Å; S119-L122 PolarHBondContact O-N 3.49Å; L122-Y125 PolarHBondContact O-N 3.46Å; L122-A126 WeakPolarHBondContact O-CB 3.44Å; L122-A126 PolarHBondContact O-N 3.21Å
123D80Confident73.6Confident97 Ų97102.5 Ų102.552%0.51957%0.565SS.*Hα-helixtrans-63.3-46.2174.4-66.7-37.4000111.5S119 R121 Y125 A126 M127S119-D123 PolarHBondContact O-N 2.91Å; R121-D123 VanDerWaalsContact C-N 3.28Å; R121-D123 PolarHBondContact O-N 2.97Å; D123-Y125 PolarHBondContact O-N 3.08Å; D123-A126 PolarHBondContact O-N 3.29Å; D123-M127 VanDerWaalsContact O-CG 3.22Å; D123-M127 WeakPolarHBondContact O-CG 2.94Å; D123-M127 PolarHBondContact O-N 3.4Å
124T87.2Confident76.3Confident86 Ų8698.2 Ų98.253%0.52855%0.551SS.*Hα-helixtrans-62.7-46178.3-53.60000111.4S120 R121 M127 L128S120-T124 PolarHBondContact O-N 2.86Å; S120-T124 VanDerWaalsContact O-N 3.13Å; S120-T124 PolarHBondContact O-OG1 2.85Å; R121-T124 PolarHBondContact O-N 3.45Å; T124-M127 PolarHBondContact O-N 3.29Å; T124-L128 WeakPolarHBondContact O-CG 3.47Å; T124-L128 PolarHBondContact O-N 3.18Å; T124-L128 VanDerWaalsContact O-N 3.08Å
125Y88.8Confident78.9Confident144 Ų14492.8 Ų92.857%0.56554%0.535SS*.Hα-helixtrans-66.1-39.7176.8-73.9-64.8000112.2R121 L122 D123 M127 L128 I129R121-Y125 HydrophobicContact CB-CD2 4.39Å; R121-Y125 HydrophobicContact CB-CE2 4.31Å; R121-Y125 WeakPolarHBondContact O-CD2 2.98Å; R121-Y125 PolarHBondContact O-N 2.92Å; L122-Y125 PolarHBondContact O-N 3.46Å; D123-Y125 PolarHBondContact O-N 3.08Å; Y125-M127 VanDerWaalsContact C-N 3.34Å; Y125-M127 PolarHBondContact O-N 3.45Å; Y125-L128 PolarHBondContact O-N 2.94Å; Y125-I129 WeakPolarHBondContact O-CB 2.99Å; Y125-I129 VanDerWaalsContact O-CG1 3.23Å; Y125-I129 WeakPolarHBondContact O-CG1 3.05Å; Y125-I129 PolarHBondContact O-N 3.02Å
126A88.8Confident81.8Confident40 Ų4091.6 Ų91.633%0.33152%0.523SS..Hα-helixtrans-61.2-43.1175.700000111.3L122 D123 I129 I130L122-A126 WeakPolarHBondContact O-CB 3.44Å; L122-A126 PolarHBondContact O-N 3.21Å; D123-A126 PolarHBondContact O-N 3.29Å; A126-I129 PolarHBondContact O-N 3.1Å; A126-I130 WeakPolarHBondContact O-CD1 3.34Å; A126-I130 VanDerWaalsContact O-CG1 3.24Å; A126-I130 WeakPolarHBondContact O-CG1 3.03Å; A126-I130 PolarHBondContact O-N 3.38Å
127M88.4Confident84.2Confident121 Ų12190.9 Ų90.960%0.59652%0.524SS*.Hα-helixtrans-63.4-41.9176.3-68.3-60.8145.500112.4D123 T124 Y125 I130 L131D123-M127 VanDerWaalsContact O-CG 3.22Å; D123-M127 WeakPolarHBondContact O-CG 2.94Å; D123-M127 PolarHBondContact O-N 3.4Å; T124-M127 PolarHBondContact O-N 3.29Å; Y125-M127 VanDerWaalsContact C-N 3.34Å; Y125-M127 PolarHBondContact O-N 3.45Å; M127-I130 PolarHBondContact O-N 2.97Å; M127-L131 WeakPolarHBondContact O-CB 3.44Å; M127-L131 PolarHBondContact O-N 2.92Å
128L94.4Very high86.3Confident106 Ų10691.4 Ų91.456%0.55551%0.514SS*.Hα-helixtrans-65.1-39.5175.6-69176.2000112.4T124 Y125 L131 G132T124-L128 WeakPolarHBondContact O-CG 3.47Å; T124-L128 PolarHBondContact O-N 3.18Å; T124-L128 VanDerWaalsContact O-N 3.08Å; Y125-L128 PolarHBondContact O-N 2.94Å; L128-L131 PolarHBondContact O-N 3.31Å; L128-G132 PolarHBondContact O-N 3.41Å
129I94.4Very high88.3Confident110 Ų11093 Ų9356%0.56452%0.516SS*.Hα-helixtrans-64.3-44.4175.9-69.8165.3000110.3Y125 A126 G132 C133Y125-I129 WeakPolarHBondContact O-CB 2.99Å; Y125-I129 VanDerWaalsContact O-CG1 3.23Å; Y125-I129 WeakPolarHBondContact O-CG1 3.05Å; Y125-I129 PolarHBondContact O-N 3.02Å; A126-I129 PolarHBondContact O-N 3.1Å; I129-G132 PolarHBondContact O-N 3.42Å; I129-C133 WeakPolarHBondContact O-CB 3.41Å; I129-C133 PolarHBondContact O-N 3.23Å; I129-C133 PolarHBondContact O-SG 3.48Å
130I94.3Very high90Very high96 Ų9694.5 Ų94.549%0.49252%0.518SS..Hα-helixtrans-62.9-46.1178-67.4163.9000110.6A126 M127 G132 C133 V134A126-I130 WeakPolarHBondContact O-CD1 3.34Å; A126-I130 VanDerWaalsContact O-CG1 3.24Å; A126-I130 WeakPolarHBondContact O-CG1 3.03Å; A126-I130 PolarHBondContact O-N 3.38Å; M127-I130 PolarHBondContact O-N 2.97Å; I130-G132 VanDerWaalsContact C-N 3.32Å; I130-G132 PolarHBondContact O-N 3.48Å; I130-C133 PolarHBondContact O-N 3.45Å; I130-V134 HydrophobicContact CG2-CG2 4.49Å; I130-V134 WeakPolarHBondContact O-CG2 3.34Å; I130-V134 PolarHBondContact O-N 2.96Å
131L95.8Very high91.6Very high120 Ų12096.4 Ų96.463%0.62852%0.52SS*.Hα-helixtrans-60-41.9176.6-174.966.6000111.7M127 L128 V134 A135M127-L131 WeakPolarHBondContact O-CB 3.44Å; M127-L131 PolarHBondContact O-N 2.92Å; L128-L131 PolarHBondContact O-N 3.31Å; L131-V134 PolarHBondContact O-N 2.93Å; L131-A135 WeakPolarHBondContact O-CB 3.44Å; L131-A135 PolarHBondContact O-N 2.77Å
132G95.9Very high92.9Very high35 Ų3593.1 Ų93.136%0.36152%0.515SS..Hα-helixtrans-61.9-45.8174.200000112.8L128 I129 I130 V134 A135 V136L128-G132 PolarHBondContact O-N 3.41Å; I129-G132 PolarHBondContact O-N 3.42Å; I130-G132 VanDerWaalsContact C-N 3.32Å; I130-G132 PolarHBondContact O-N 3.48Å; G132-V134 VanDerWaalsContact C-N 3.35Å; G132-V134 PolarHBondContact O-N 2.87Å; G132-A135 PolarHBondContact O-N 2.89Å; G132-V136 WeakPolarHBondContact O-CB 3.02Å; G132-V136 VanDerWaalsContact O-CG2 3.26Å; G132-V136 WeakPolarHBondContact O-CG2 3.38Å; G132-V136 PolarHBondContact O-N 3.32Å
133C96.8Very high94Very high83 Ų8391 Ų9156%0.56150%0.504SS*.Hα-helixtrans-61.6-40.7176.9-74.20000112.3I129 I130 G137I129-C133 WeakPolarHBondContact O-CB 3.41Å; I129-C133 PolarHBondContact O-N 3.23Å; I129-C133 PolarHBondContact O-SG 3.48Å; I130-C133 PolarHBondContact O-N 3.45Å; C133-G137 PolarHBondContact O-N 3.4Å
134V97.4Very high94.8Very high80 Ų8091.3 Ų91.349%0.48550%0.504SS..Hα-helixtrans-67.2-45.6176.9173.60000110.9I130 L131 G132 G137 I138I130-V134 HydrophobicContact CG2-CG2 4.49Å; I130-V134 WeakPolarHBondContact O-CG2 3.34Å; I130-V134 PolarHBondContact O-N 2.96Å; L131-V134 PolarHBondContact O-N 2.93Å; G132-V134 VanDerWaalsContact C-N 3.35Å; G132-V134 PolarHBondContact O-N 2.87Å; V134-G137 PolarHBondContact O-N 2.94Å; V134-I138 HydrophobicContact CG1-CD1 3.75Å; V134-I138 HydrophobicContact CG1-CG1 4.42Å; V134-I138 VanDerWaalsContact O-CG1 3.28Å; V134-I138 WeakPolarHBondContact O-CG1 3.25Å; V134-I138 PolarHBondContact O-N 3.34Å
135A96.8Very high95.2Very high58 Ų5892.2 Ų92.248%0.47951%0.506SS..Hα-helixtrans-62.7-45.6178.400000112.3L131 G132 I138 F139L131-A135 WeakPolarHBondContact O-CB 3.44Å; L131-A135 PolarHBondContact O-N 2.77Å; G132-A135 PolarHBondContact O-N 2.89Å; A135-I138 PolarHBondContact O-N 2.87Å; A135-F139 WeakPolarHBondContact O-CB 3.04Å; A135-F139 PolarHBondContact O-N 3.08Å
136V97.2Very high95.5Very high85 Ų8590.2 Ų90.252%0.51550%0.504SS..Hα-helixtrans-64.5-41.8175.31740000110.7G132 F139 L140G132-V136 WeakPolarHBondContact O-CB 3.02Å; G132-V136 VanDerWaalsContact O-CG2 3.26Å; G132-V136 WeakPolarHBondContact O-CG2 3.38Å; G132-V136 PolarHBondContact O-N 3.32Å; V136-F139 PolarHBondContact O-N 3.27Å; V136-L140 HydrophobicContact CG1-CD1 3.93Å; V136-L140 HydrophobicContact CG1-CG 4.22Å; V136-L140 WeakPolarHBondContact O-CB 3.39Å; V136-L140 VanDerWaalsContact O-CG 3.28Å; V136-L140 WeakPolarHBondContact O-CG 2.96Å; V136-L140 PolarHBondContact O-N 3.32Å
137G96.9Very high95.8Very high31 Ų3192.1 Ų92.132%0.3251%0.509SS..Hα-helixtrans-60.1-46.1176.500000112.9C133 V134 L140 M141C133-G137 PolarHBondContact O-N 3.4Å; V134-G137 PolarHBondContact O-N 2.94Å; G137-L140 PolarHBondContact O-N 3.48Å; G137-M141 WeakPolarHBondContact O-CB 3.49Å; G137-M141 VanDerWaalsContact O-CG 3.3Å; G137-M141 WeakPolarHBondContact O-CG 3.2Å; G137-M141 PolarHBondContact O-N 2.92Å
138I97.7Very high96.1Very high96 Ų9690 Ų9049%0.49251%0.505SS..Hα-helixtrans-63.5-43.6175.6-67.7167.1000110.5V134 A135 M141 L142V134-I138 HydrophobicContact CG1-CD1 3.75Å; V134-I138 HydrophobicContact CG1-CG1 4.42Å; V134-I138 VanDerWaalsContact O-CG1 3.28Å; V134-I138 WeakPolarHBondContact O-CG1 3.25Å; V134-I138 PolarHBondContact O-N 3.34Å; A135-I138 PolarHBondContact O-N 2.87Å; I138-M141 PolarHBondContact O-N 3.33Å; I138-L142 HydrophobicContact CG2-CD1 3.96Å; I138-L142 HydrophobicContact CG2-CG 4.37Å; I138-L142 WeakPolarHBondContact O-CB 3.16Å; I138-L142 WeakPolarHBondContact O-CG 3.18Å; I138-L142 PolarHBondContact O-N 2.94Å
139F97.3Very high96Very high141 Ų14192.6 Ų92.662%0.61851%0.508SS*.Hα-helixtrans-63-44.3178.3-174.1-97.7000112.2A135 V136 L142 L143A135-F139 WeakPolarHBondContact O-CB 3.04Å; A135-F139 PolarHBondContact O-N 3.08Å; V136-F139 PolarHBondContact O-N 3.27Å; F139-L142 PolarHBondContact O-N 3.16Å; F139-L143 WeakPolarHBondContact O-CB 3.32Å; F139-L143 PolarHBondContact O-N 2.93Å
140L97Very high95.8Very high93 Ų9395.5 Ų95.549%0.48751%0.512SS..Hα-helixtrans-64.6-40.6175.5-69.5177.6000111.6V136 G137 L143 L144V136-L140 HydrophobicContact CG1-CD1 3.93Å; V136-L140 HydrophobicContact CG1-CG 4.22Å; V136-L140 WeakPolarHBondContact O-CB 3.39Å; V136-L140 VanDerWaalsContact O-CG 3.28Å; V136-L140 WeakPolarHBondContact O-CG 2.96Å; V136-L140 PolarHBondContact O-N 3.32Å; G137-L140 PolarHBondContact O-N 3.48Å; L140-L143 PolarHBondContact O-N 2.81Å; L140-L144 WeakPolarHBondContact O-CB 3.43Å; L140-L144 VanDerWaalsContact O-CG 3.27Å; L140-L144 WeakPolarHBondContact O-CG 3.09Å; L140-L144 PolarHBondContact O-N 2.84Å
141M96.4Very high95.5Very high115 Ų115100.1 Ų100.157%0.56752%0.523SS*.Hα-helixtrans-62.7-44.4174.9-79.5-63.9-67.300112.1G137 I138 L144 L145G137-M141 WeakPolarHBondContact O-CB 3.49Å; G137-M141 VanDerWaalsContact O-CG 3.3Å; G137-M141 WeakPolarHBondContact O-CG 3.2Å; G137-M141 PolarHBondContact O-N 2.92Å; I138-M141 PolarHBondContact O-N 3.33Å; M141-L144 PolarHBondContact O-N 2.76Å; M141-L145 WeakPolarHBondContact O-CB 3.09Å; M141-L145 VanDerWaalsContact O-CG 3.3Å; M141-L145 WeakPolarHBondContact O-CG 3.42Å; M141-L145 PolarHBondContact O-N 3.32Å
142L96.9Very high95Very high96 Ų96103.4 Ų103.450%0.50353%0.527SS..Hα-helixtrans-65.1-41175.7-71.8173.5000111.8I138 F139 L145 L146I138-L142 HydrophobicContact CG2-CD1 3.96Å; I138-L142 HydrophobicContact CG2-CG 4.37Å; I138-L142 WeakPolarHBondContact O-CB 3.16Å; I138-L142 WeakPolarHBondContact O-CG 3.18Å; I138-L142 PolarHBondContact O-N 2.94Å; F139-L142 PolarHBondContact O-N 3.16Å; L142-L145 PolarHBondContact O-N 3.23Å; L142-L146 WeakPolarHBondContact O-CB 3.37Å; L142-L146 WeakPolarHBondContact O-CG 3.42Å; L142-L146 PolarHBondContact O-N 2.03Å
143L96.5Very high94.1Very high79 Ų79103.8 Ų103.841%0.41452%0.523SS..Hα-helixtrans-62.9-43.6175.6-171.768.6000111.2F139 L140 L146 L147F139-L143 WeakPolarHBondContact O-CB 3.32Å; F139-L143 PolarHBondContact O-N 2.93Å; L140-L143 PolarHBondContact O-N 2.81Å; L143-L146 PolarHBondContact O-N 2.85Å; L143-L147 HydrophobicContact CG-CD1 4.44Å; L143-L147 WeakPolarHBondContact O-CB 3.33Å; L143-L147 VanDerWaalsContact O-CG 3.27Å; L143-L147 WeakPolarHBondContact O-CG 3.38Å; L143-L147 PolarHBondContact O-N 3.33Å
144L96.1Very high92.9Very high102 Ų102104.9 Ų104.953%0.53452%0.523SS..Hα-helixtrans-63.5-41.7174.6-72.5174.8000111.8L140 M141 L147 C148L140-L144 WeakPolarHBondContact O-CB 3.43Å; L140-L144 VanDerWaalsContact O-CG 3.27Å; L140-L144 WeakPolarHBondContact O-CG 3.09Å; L140-L144 PolarHBondContact O-N 2.84Å; M141-L144 PolarHBondContact O-N 2.76Å; L144-L147 PolarHBondContact O-N 3.07Å; L144-C148 VanDerWaalsContact O-CB 3.25Å; L144-C148 WeakPolarHBondContact O-CB 3.39Å; L144-C148 PolarHBondContact O-N 3.08Å; L144-C148 PolarHBondContact O-SG 3.16Å
145L96Very high91.3Very high105 Ų105106.7 Ų106.755%0.5553%0.525SS..Hα-helixtrans-62.6-41.5174.4-75.5170.4000111.7M141 L142 C148 Y149M141-L145 WeakPolarHBondContact O-CB 3.09Å; M141-L145 VanDerWaalsContact O-CG 3.3Å; M141-L145 WeakPolarHBondContact O-CG 3.42Å; M141-L145 PolarHBondContact O-N 3.32Å; L142-L145 PolarHBondContact O-N 3.23Å; L145-C148 PolarHBondContact O-N 2.02Å; L145-Y149 VanDerWaalsContact O-CB 3.23Å; L145-Y149 WeakPolarHBondContact O-CB 3.14Å; L145-Y149 PolarHBondContact O-N 3.02Å
146L95.2Very high89.5Confident103 Ų103106.4 Ų106.454%0.53952%0.519SS..Hα-helixtrans-65.8-39.9174.7-73.9171.3000111.9L142 L143 Y149 R150L142-L146 WeakPolarHBondContact O-CB 3.37Å; L142-L146 WeakPolarHBondContact O-CG 3.42Å; L142-L146 PolarHBondContact O-N 2.03Å; L143-L146 PolarHBondContact O-N 2.85Å; L146-Y149 PolarHBondContact O-N 2.93Å; L146-R150 VanDerWaalsContact O-CB 3.32Å; L146-R150 WeakPolarHBondContact O-CB 3.35Å; L146-R150 VanDerWaalsContact O-CG 3.26Å; L146-R150 WeakPolarHBondContact O-CG 3.27Å; L146-R150 PolarHBondContact O-N 3.13Å
147L94.7Very high87.5Confident80 Ų80109.9 Ų109.942%0.41953%0.527SS..Hα-helixtrans-67.2-40.2174.6-70.6175.7000111.6L143 L144 R150 R151L143-L147 HydrophobicContact CG-CD1 4.44Å; L143-L147 WeakPolarHBondContact O-CB 3.33Å; L143-L147 VanDerWaalsContact O-CG 3.27Å; L143-L147 WeakPolarHBondContact O-CG 3.38Å; L143-L147 PolarHBondContact O-N 3.33Å; L144-L147 PolarHBondContact O-N 3.07Å; L147-R150 PolarHBondContact O-N 3.23Å; L147-R151 VanDerWaalsContact O-CB 3.31Å; L147-R151 WeakPolarHBondContact O-CB 3.27Å; L147-R151 VanDerWaalsContact O-CG 3.31Å; L147-R151 WeakPolarHBondContact O-CG 3.44Å; L147-R151 PolarHBondContact O-N 3.36Å
148C94.2Very high85.4Confident77 Ų77112 Ų11252%0.5254%0.542SS..Hα-helixtrans-65.6-41.2173.7-75.40000111.4L144 L145 R151 R152L144-C148 VanDerWaalsContact O-CB 3.25Å; L144-C148 WeakPolarHBondContact O-CB 3.39Å; L144-C148 PolarHBondContact O-N 3.08Å; L144-C148 PolarHBondContact O-SG 3.16Å; L145-C148 PolarHBondContact O-N 2.02Å; C148-R151 PolarHBondContact O-N 3.19Å; C148-R152 VanDerWaalsContact O-CB 3.24Å; C148-R152 WeakPolarHBondContact O-CB 3.34Å; C148-R152 PolarHBondContact O-N 2.9Å
149Y91.9Very high83.3Confident160 Ų160113.9 Ų113.963%0.62755%0.546SS*.Hα-helixtrans-63.5-48.7174.2-176.8-99.5000110.3L145 L146 R151 R152 T153L145-Y149 VanDerWaalsContact O-CB 3.23Å; L145-Y149 WeakPolarHBondContact O-CB 3.14Å; L145-Y149 PolarHBondContact O-N 3.02Å; L146-Y149 PolarHBondContact O-N 2.93Å; Y149-R151 PolarHBondContact O-N 2.87Å; Y149-R152 PolarHBondContact O-N 2.99Å; Y149-R152 VanDerWaalsContact O-N 3.17Å; Y149-T153 HydrophobicContact CD1-CG2 4.06Å; Y149-T153 HydrophobicContact CE1-CG2 3.71Å; Y149-T153 HydrophobicContact CE2-CG2 4.33Å; Y149-T153 VanDerWaalsContact O-CG2 3.3Å; Y149-T153 WeakPolarHBondContact O-CG2 3.32Å; Y149-T153 PolarHBondContact O-N 2.75Å; Y149-T153 PolarHBondContact O-OG1 3.22Å
150R90.8Very high81.1Confident170 Ų170114.2 Ų114.264%0.64255%0.552SS**Hα-helixtrans-59.7-47.7175.2-74.8179.4117.3177.32.3111.6L146 L147 R152 T153 N154L146-R150 VanDerWaalsContact O-CB 3.32Å; L146-R150 WeakPolarHBondContact O-CB 3.35Å; L146-R150 VanDerWaalsContact O-CG 3.26Å; L146-R150 WeakPolarHBondContact O-CG 3.27Å; L146-R150 PolarHBondContact O-N 3.13Å; L147-R150 PolarHBondContact O-N 3.23Å; R150-R152 VanDerWaalsContact C-N 3.31Å; R150-R152 PolarHBondContact O-N 3.48Å; R150-T153 WeakPolarHBondContact CA-OG1 3.45Å; R150-T153 PolarHBondContact O-N 3.18Å; R150-T153 PolarHBondContact O-OG1 2.68Å; R150-N154 WeakPolarHBondContact O-CB 3.14Å; R150-N154 VanDerWaalsContact O-CG 3.29Å; R150-N154 PolarHBondContact O-N 2.85Å; R150-N154 PolarHBondContact O-ND2 2.94Å
151R88Confident78.8Confident193 Ų193115.8 Ų115.873%0.72857%0.565SS**Hα-helixtrans-58.7-41.5174.7-78-178.2-178.9-172.22.2111.9L147 C148 Y149 N154 F155L147-R151 VanDerWaalsContact O-CB 3.31Å; L147-R151 WeakPolarHBondContact O-CB 3.27Å; L147-R151 VanDerWaalsContact O-CG 3.31Å; L147-R151 WeakPolarHBondContact O-CG 3.44Å; L147-R151 PolarHBondContact O-N 3.36Å; C148-R151 PolarHBondContact O-N 3.19Å; Y149-R151 PolarHBondContact O-N 2.87Å; R151-N154 PolarHBondContact O-N 3.19Å; R151-F155 WeakPolarHBondContact O-CB 3.42Å; R151-F155 PolarHBondContact O-N 3.25Å
152R85Confident76.2Confident190 Ų190113.6 Ų113.672%0.71757%0.572SS**Hα-helixtrans-68.8-37.8177.7-165174-170172.12.8112.4C148 Y149 R150 F155 S156C148-R152 VanDerWaalsContact O-CB 3.24Å; C148-R152 WeakPolarHBondContact O-CB 3.34Å; C148-R152 PolarHBondContact O-N 2.9Å; Y149-R152 PolarHBondContact O-N 2.99Å; Y149-R152 VanDerWaalsContact O-N 3.17Å; R150-R152 VanDerWaalsContact C-N 3.31Å; R150-R152 PolarHBondContact O-N 3.48Å; R152-F155 PolarHBondContact O-N 3.49Å; R152-S156 WeakPolarHBondContact O-CB 3.42Å; R152-S156 PolarHBondContact O-N 3.43Å; R152-S156 PolarHBondContact O-OG 2.99Å
153T77.1Confident73.8Confident42 Ų42115.2 Ų115.226%0.25859%0.586SS.*Hα-helixtrans-67.8-38.8174.462.90000111.8Y149 R150 F155 S156 K157Y149-T153 HydrophobicContact CD1-CG2 4.06Å; Y149-T153 HydrophobicContact CE1-CG2 3.71Å; Y149-T153 HydrophobicContact CE2-CG2 4.33Å; Y149-T153 VanDerWaalsContact O-CG2 3.3Å; Y149-T153 WeakPolarHBondContact O-CG2 3.32Å; Y149-T153 PolarHBondContact O-N 2.75Å; Y149-T153 PolarHBondContact O-OG1 3.22Å; R150-T153 WeakPolarHBondContact CA-OG1 3.45Å; R150-T153 PolarHBondContact O-N 3.18Å; R150-T153 PolarHBondContact O-OG1 2.68Å; T153-F155 VanDerWaalsContact C-N 3.35Å; T153-S156 PolarHBondContact O-N 2.8Å; T153-K157 PolarHBondContact O-N 2.86Å
154N72Confident71.4Confident106 Ų106117.4 Ų117.457%0.56760%0.602SS**Hα-helixtrans-64.6-39174-70.6-40.8000111.5R150 R151 A158R150-N154 WeakPolarHBondContact O-CB 3.14Å; R150-N154 VanDerWaalsContact O-CG 3.29Å; R150-N154 PolarHBondContact O-N 2.85Å; R150-N154 PolarHBondContact O-ND2 2.94Å; R151-N154 PolarHBondContact O-N 3.19Å; N154-A158 PolarHBondContact O-N 3.48Å
155F63.6Low68.9Low119 Ų119124.2 Ų124.252%0.52262%0.621SS.*Hα-helixtrans-72.2-30.6175.8-165-113.9000113.3R151 R152 T153 K159R151-F155 WeakPolarHBondContact O-CB 3.42Å; R151-F155 PolarHBondContact O-N 3.25Å; R152-F155 PolarHBondContact O-N 3.49Å; T153-F155 VanDerWaalsContact C-N 3.35Å; F155-K159 HydrophobicContact CD1-CD 4.16Å; F155-K159 HydrophobicContact CE1-CD 3.77Å; F155-K159 HydrophobicContact CZ-CD 4.06Å; F155-K159 PolarHBondContact O-N 2.04Å
156S59.5Low66.3Low52 Ų52123.9 Ų123.936%0.36463%0.633SS.*Hα-helixtrans-74.5-31.2178.1-56.10000112.2R152 T153R152-S156 WeakPolarHBondContact O-CB 3.42Å; R152-S156 PolarHBondContact O-N 3.43Å; R152-S156 PolarHBondContact O-OG 2.99Å; T153-S156 PolarHBondContact O-N 2.8Å
157K53.9Low63.9Low158 Ų158128.2 Ų128.269%0.68765%0.651SS**Hα-helixtrans-75.4-31.6173.1-70179.8-178.3175.60112.8T153 K159T153-K157 PolarHBondContact O-N 2.86Å; K157-K159 VanDerWaalsContact C-N 3.32Å; K157-K159 PolarHBondContact O-N 3.43Å
158A54.2Low61.5Low76 Ų76135.5 Ų135.563%0.62867%0.674SS**Hα-helixtrans-73.4-19.2176.600000114N154N154-A158 PolarHBondContact O-N 3.48Å
159K53.9Low59.2Low134 Ų134141.1 Ų141.158%0.58369%0.693SS**THydrogen-bonded Turntrans-96.6-8.6-178.3-77.8-172.8169.1-178.90115.9F155 K157F155-K159 HydrophobicContact CD1-CD 4.16Å; F155-K159 HydrophobicContact CE1-CD 3.77Å; F155-K159 HydrophobicContact CZ-CD 4.06Å; F155-K159 PolarHBondContact O-N 2.04Å; K157-K159 VanDerWaalsContact C-N 3.32Å; K157-K159 PolarHBondContact O-N 3.43Å
160M50.3Low56.8Low148 Ų148143.6 Ų143.673%0.72970%0.701SS**SBendtrans-106.9-1.2179.8-64-167-137.600114.8
161V48.4Very low54.3Low126 Ų126143.4 Ų143.476%0.76471%0.713SS**SBendtrans-101.4-4.5-179.8-179.90000112.8
162G42.4Very low52.1Low70 Ų70139.4 Ų139.472%0.72271%0.714SS**SBendtrans-101.6-1.9-174.500000117.2
163V46.5Very low50Low130 Ų130138.3 Ų138.379%0.78872%0.723SS**SBendtrans-119.72.1-166.5-177.70000114
164T46.1Very low48.1Very low124 Ų124141.5 Ų141.576%0.76175%0.747SS**SBendtrans-118.429.9-172.760.90000115.3
165R43Very low46.7Very low246 Ų246142.5 Ų142.593%0.92876%0.762SS**SBendtrans-147.214.3-176.7-145.2-177.7169.9136.8-0.3119.1
166A41.4Very low45.8Very low98 Ų98143.1 Ų143.181%0.8177%0.771SS**SBendtrans-137.110.2-174.600000117.8
167E45.7Very low44.9Very low193 Ų193149.6 Ų149.690%0.90280%0.796SS**SBendtrans-132.630.2-175.9-114.3157169.200114.3
168Y43.4Very low44.5Very low234 Ų234148.9 Ų148.992%0.91881%0.805SS**SBendtrans-103.514.2179.3-164.3-105000114.5
169E46.8Very low44.1Very low195 Ų195150 Ų15091%0.91181%0.814SS**SBendtrans-142.225.1-167.6-134.8-180157.300116.7
170R39.9Very low43.9Very low212 Ų212150.7 Ų150.780%0.882%0.824SS**SBendtrans-124.2-6.5-178.4-153.3175.8-78.7124.6-4.3118S172R170-S172 PolarHBondContact O-N 3.39Å
171D40.1Very low43.9Very low165 Ų165155.6 Ų155.688%0.88283%0.834SS**SBendtrans-103.241.4-175.4-64.2-26.3000114
172S41.4Very low43.6Very low109 Ų109155 Ų15576%0.76284%0.835SS**SBendtrans-14359.9-178.6-54.10000113.2R170R170-S172 PolarHBondContact O-N 3.39Å
173N41.1Very low43.7Very low167 Ų167158.7 Ų158.789%0.89384%0.837SS**SBendtrans173.3148.3145.2-103.3-25.2000111.1
174S36Very low43.6Very low110 Ų110163.9 Ų163.977%0.76984%0.843SS**  trans9385.2164.8-156.70000116.2
175S43.5Very low43.8Very low126 Ų126167 Ų16788%0.88185%0.846SS**  trans-136.893.8150.635.50000109.2
176N44.7Very low43.9Very low133 Ų133158.4 Ų158.471%0.71183%0.833SS**  trans-149.793.7157.958.6-36.7000108.2
177E40.9Very low44.7Very low188 Ų188160 Ų16088%0.87984%0.835SS**  172110126.3-96.5-175.6115.400110.6
178T44.4Very low44.7Very low143 Ų143156.7 Ų156.788%0.87783%0.834SS**  trans-34.8122.1160.820.20000115.4
179A45.3Very low44.8Very low99 Ų99154.8 Ų154.882%0.81883%0.825SS**  trans-137.5112151.200000109.7R181A179-R181 PolarHBondContact O-N 3.46Å
180N50.5Low44.7Very low149 Ų149152.2 Ų152.280%0.79782%0.822SS**  trans-42.4127166.2-71-35.8000112.1
181R51.4Low44.7Very low251 Ų251150.3 Ų150.395%0.94782%0.817SS**  trans-172.4126.4130.8-96148.8-170.3145.60.8110.8A179A179-R181 PolarHBondContact O-N 3.46Å
182S40.5Very low44.5Very low112 Ų112153.5 Ų153.578%0.78382%0.816SS**  trans-66.4140.2-178.353.40000113.6
183I45.3Very low44.4Very low148 Ų148154.1 Ų154.176%0.75982%0.819SS**  -161121.1111.3-57.4-161.4000106F185I183-F185 HydrophobicContact CG2-CD2 4.1Å; I183-F185 HydrophobicContact CG2-CE2 3.87Å
184R43.7Very low44.3Very low240 Ų240154 Ų15491%0.90682%0.818SS**  trans-98.8113.8-175.2-176.5-178.3-94.5-158.7-3.9110.5
185F51.4Low44.7Very low190 Ų190152.5 Ų152.583%0.83382%0.821SS**  trans-114.9125.6157.5-76.5-82.8000108.2I183I183-F185 HydrophobicContact CG2-CD2 4.1Å; I183-F185 HydrophobicContact CG2-CE2 3.87Å
186G44.9Very low44.4Very low64 Ų64153.2 Ų153.266%0.6682%0.82SS**PPolyproline II helixtrans-70.3153-169.700000114.1
187P57.6Low44.1Very low131 Ų131152.4 Ų152.485%0.85182%0.822SS**PPolyproline II helixtrans-77.6136.1178.929.8-31.4000111.9
188S46.3Very low44.1Very low124 Ų124150 Ų15087%0.86782%0.82SS**PPolyproline II helixtrans-60.3141176.2-73.30000112.8
189R44.7Very low43.8Very low195 Ų195147.5 Ų147.574%0.73681%0.809SS**PPolyproline II helixtrans-65.9129.6-168.9-57.7176.5-171.2-129.3-5.7113.5Y191R189-Y191 HydrophobicContact CB-CD2 4.12Å; R189-Y191 HydrophobicContact CB-CE2 3.86Å; R189-Y191 WeakPolarHBondContact CD-OH 3.28Å; R189-Y191 HydrophobicContact CG-CE2 4.37Å; R189-Y191 PolarHBondContact NH1-OH 2.94Å
190T44.3Very low43.6Very low140 Ų140152.5 Ų152.586%0.85981%0.812SS**PPolyproline II helixtrans-92119.7150.340.30000108
191Y41.7Very low43.1Very low173 Ų173149.2 Ų149.268%0.67881%0.814SS**  trans-90.3111.5172.1-78-85000109.5R189R189-Y191 HydrophobicContact CB-CD2 4.12Å; R189-Y191 HydrophobicContact CB-CE2 3.86Å; R189-Y191 WeakPolarHBondContact CD-OH 3.28Å; R189-Y191 HydrophobicContact CG-CE2 4.37Å; R189-Y191 PolarHBondContact NH1-OH 2.94Å
192R35.6Very low42.7Very low231 Ų231147 Ų14787%0.87281%0.811SS**  trans-123.6130.1148.3-75.5-166.7-175.8114.2-1.6106.5
193C39.1Very low42.5Very low122 Ų122152.9 Ų152.982%0.82482%0.816SS**  trans-136.692.9163.9-67.10000108.2
194D38.8Very low42.2Very low164 Ų164151.1 Ų151.188%0.87781%0.814SS**  trans-79.1141.6147.6-72.3-50.9000107.7
195G43.3Very low42.1Very low80 Ų80147.1 Ų147.183%0.82581%0.81SS**  trans178.190177.500000112.3
196T38Very low41.6Very low141 Ų141144 Ų14487%0.86580%0.802SS**  trans-70.3161.3170.629.10000112.8
197P38.8Very low41.5Very low115 Ų115148.3 Ų148.375%0.74781%0.805SS**  trans-101.5151.5-160.237.6-31.1000114.3
198T39.6Very low40.7Very low137 Ų137147.1 Ų147.184%0.8480%0.8SS**  trans-153.3117.5155.342.40000113.6
199S39.8Very low40.6Very low92 Ų92151.3 Ų151.364%0.64380%0.802SS**  trans18.5150.4142.965.50000125.8
200F41Very low40.5Very low203 Ų203149.7 Ų149.789%0.8980%0.803SS**  trans97.2116.8150.6-72.7-78.9000119.5
201G39.3Very low40.6Very low80 Ų80152.7 Ų152.783%0.82580%0.804SS**  trans167.5101.5164.100000114.3
202K42.7Very low40.6Very low204 Ų204150 Ų15089%0.88780%0.802SS**  trans-61.7154.2-167.5-62.3164-179.4179.40117.2
203R36Very low40.9Very low237 Ų237147.8 Ų147.889%0.89480%0.801SS**  trans-68172.8171.4-69.6-178.3-102.3179.7-7.1113.5
204P40.5Very low41.1Very low110 Ų110146.5 Ų146.571%0.71480%0.8SS**  -150.8156.797.924.1-0.7000119.1
205L41.6Very low41.2Very low157 Ų157147.7 Ų147.782%0.82280%0.8SS**  trans60.2143.1142-79135.9000119.7
206D41.3Very low40.7Very low124 Ų124151.9 Ų151.966%0.66380%0.798SS**  cis-167.3166.81.5-160.63.2000109.3
207Q41.2Very low40.8Very low154 Ų154150.4 Ų150.472%0.7279%0.791SS**  trans81.787.8156.5-79.7171.433.600122.9
208S41.8Very low40.8Very low107 Ų107149 Ų14975%0.74878%0.783SS**  46.1117.8113.156.30000121.7
209K43.8Very low40.7Very low212 Ų212149.1 Ų149.192%0.92278%0.784SS**  -155.6122.1124.6-151.8167.4-176169.80111.3
210E43.4Very low40.7Very low160 Ų160148.4 Ų148.475%0.74879%0.791SS**  trans-90.2142.1-175.8-173.5177.2158.200110.2
211K45.1Very low40.7Very low204 Ų204144.8 Ų144.889%0.88778%0.781SS**  trans-165.4137.9144.1-118.3-177.3-180-173.40111.6
212D41.6Very low40.9Very low117 Ų117149.2 Ų149.263%0.62678%0.777SS**  trans-91.5-177.2-154-58.4-73.8000116.1
213E43Very low40.5Very low183 Ų183148.5 Ų148.586%0.85578%0.777SS**  trans98.898.4155.1-51.2-174.2147.200114.8
214A42.6Very low40.7Very low96 Ų96141.7 Ų141.779%0.79377%0.772SS**  69.6125.278.300000110.5
215E40.8Very low40.4Very low189 Ų189143 Ų14388%0.88378%0.778SS**  cis-156.7153.825.3-98.6174.8119.600108.8
216E33.3Very low40Very low168 Ų168140.3 Ų140.379%0.78578%0.777SS**  trans-102.5147158.8-109-92.2160.300107S218E216-S218 PolarHBondContact OE2-N 2.88Å
217P40.6Very low39.7Very low110 Ų110142.8 Ų142.871%0.71479%0.785SS**  -148.6126.4111.632.3-13.4000115.7
218S37.2Very low39.6Very low84 Ų84143.4 Ų143.459%0.58779%0.792SS**  38.7117.3120.573.70000121.4E216E216-S218 PolarHBondContact OE2-N 2.88Å
219V38.9Very low39.4Very low141 Ų141146.6 Ų146.686%0.85580%0.8SS**  48.3112.8121.8-171.60000118.5
220G39Very low39.1Very low77 Ų77144.9 Ų144.979%0.79480%0.8SS**  trans-158.2121161.600000111
221D40.9Very low38.8Very low126 Ų126145.5 Ų145.567%0.67480%0.803SS**  trans-62.9150.3-169.4-76-67.6000117.8
222K43Very low38.5Very low173 Ų173142.9 Ų142.975%0.75280%0.799SS**  trans67.5107.9136.9-65.5164.2-165.8163.80120.7
223E35.9Very low38Very low190 Ų190141.3 Ų141.389%0.88881%0.81SS**  48.191.4112.4-156.5174-176.200118
224A39.4Very low37.9Very low94 Ų94139 Ų13978%0.77780%0.803SS**  trans-175.2124.3139.800000108
225V34.9Very low37.7Very low138 Ų138142 Ų14284%0.83681%0.806SS**  trans162.780.4141.5176.90000105.3
226A31.6Very low37.4Very low99 Ų99137.5 Ų137.582%0.81880%0.795SS**  trans-89.7112.3149.600000105.7
227E36.5Very low37.7Very low177 Ų177133.6 Ų133.683%0.82779%0.786SS**  trans164.2148.9149.1-93.9-145115.200108.1
228L38.7Very low37.5Very low166 Ų166134.2 Ų134.287%0.86978%0.783SS**SBendtrans94.2124.4-173.6-56163.2000113.9
229L37.7Very low37.4Very low174 Ų174140.9 Ų140.991%0.91180%0.797SS**  trans98.544.8177.2-45.5-173.9000116.4
230L36.4Very low37.3Very low176 Ų176143.6 Ų143.692%0.92179%0.793SS**  trans-10083.1142.8-86.1171000108.7
231Q37.9Very low37.1Very low174 Ų174144.8 Ų144.881%0.81379%0.785SS**  trans-171.494.3157.9-112.8162.77.500107.3
232N38.4Very low36.8Very low149 Ų149148 Ų14880%0.79780%0.796SS**  trans172105.8139.7-82.5-3.4000105.6D234N232-D234 PolarHBondContact O-N 3.26Å
233G32.4Very low36.4Very low83 Ų83150 Ų15086%0.85680%0.799SS**  trans-67.9110.9170.100000108
234D39.4Very low36.3Very low134 Ų134147.1 Ų147.172%0.71780%0.796SS**  trans-132.3125.2163.9-81.4-43.2000108.8N232 C236N232-D234 PolarHBondContact O-N 3.26Å; D234-C236 PolarHBondContact O-N 2.67Å; D234-C236 VanDerWaalsContact O-N 3.08Å; D234-C236 PolarHBondContact O-SG 3.2Å
235D39.9Very low36.2Very low161 Ų161146.7 Ų146.786%0.86179%0.793SS**  trans-60100.8-173.5-146.8-10.8000110.5S237D235-S237 VanDerWaalsContact C-N 3.33Å; D235-S237 PolarHBondContact O-N 3.45Å; D235-S237 VanDerWaalsContact O-N 3.11Å
236C32.8Very low36.2Very low94 Ų94149.8 Ų149.864%0.63580%0.795SS**  trans-87.172.2179.8-72.30000110.8M1 D234M1-C236 HydrophobicContact CE-CB 3.87Å; M1-C236 VanDerWaalsContact CE-SG 3.57Å; M1-C236 VanDerWaalsContact SD-SG 3.69Å; D234-C236 PolarHBondContact O-N 2.67Å; D234-C236 VanDerWaalsContact O-N 3.08Å; D234-C236 PolarHBondContact O-SG 3.2Å
237S39.5Very low36.3Very low85 Ų85156.5 Ų156.559%0.59480%0.799SS**  trans-136.3128.7169.9-140.60000110.2D235D235-S237 VanDerWaalsContact C-N 3.33Å; D235-S237 PolarHBondContact O-N 3.45Å; D235-S237 VanDerWaalsContact O-N 3.11Å
238N36.8Very low36.4Very low124 Ų124153.2 Ų153.266%0.66380%0.796SS**  trans85.373.5178.9-64.1-36.8000119
239Y36.1Very low36.1Very low223 Ų223152 Ų15288%0.87580%0.8SS**  trans-141.892.6140.3-86.2-83.1000109.9
240Y35.6Very low36.3Very low198 Ų198147.5 Ų147.578%0.77679%0.788SS**  trans-113.1100.6155-106.9-84.9000108.1
241V36.3Very low36.3Very low102 Ų102149.1 Ų149.162%0.61879%0.787SS**  trans-77.9114.1164.9173.50000106.9R243V241-R243 PolarHBondContact O-N 2.54Å
242E33.5Very low36.5Very low194 Ų194148.9 Ų148.991%0.90779%0.791SS**  trans-65.4106.2172.6-155.6169.4-155.500108.8
243R34.3Very low36.8Very low216 Ų216147.6 Ų147.682%0.81579%0.79SS**  trans-113.4122.4170.2-111.8-171.9-89-161.2-4.7108.6V241 A245V241-R243 PolarHBondContact O-N 2.54Å; R243-A245 PolarHBondContact O-N 3Å; R243-A245 VanDerWaalsContact O-N 3.16Å
244P35.2Very low36.9Very low128 Ų128149.3 Ų149.383%0.83179%0.79SS**  trans-76.6105.1-179.729.7-31.5000109.8K246P244-K246 PolarHBondContact O-N 2.86Å
245A35.9Very low37Very low86 Ų86153 Ų15371%0.71180%0.799SS**  trans-83.192.8173.100000110.4R243 W247R243-A245 PolarHBondContact O-N 3Å; R243-A245 VanDerWaalsContact O-N 3.16Å; A245-W247 PolarHBondContact O-N 2.96Å
246K35.2Very low36.9Very low203 Ų203149.1 Ų149.188%0.88380%0.797SS**  trans-79.192.1151.1-80.9-175.3178.2179.30107.6P244P244-K246 PolarHBondContact O-N 2.86Å
247W34.6Very low37.5Very low239 Ų239152.3 Ų152.391%0.90581%0.806SS**  trans-121.3124.4164.3-76.7-20.3000111A245A245-W247 PolarHBondContact O-N 2.96Å
248S38.8Very low37.8Very low109 Ų109157 Ų15776%0.76282%0.823SS**  trans-69.3127.617644.40000110.2A250S248-A250 PolarHBondContact O-N 3.49Å
249C32.6Very low38Very low141 Ų141159.5 Ų159.595%0.95383%0.828SS**  trans-68.794.5167.8-670000109.4
250A40.4Very low38.3Very low79 Ų79156.2 Ų156.265%0.65383%0.826SS**  trans-139.7114.2165.700000110S248S248-A250 PolarHBondContact O-N 3.49Å
251K37.5Very low38.3Very low209 Ų209150.3 Ų150.391%0.90983%0.826SS**  trans59.997.3165.8-81.7167.9173.3170.50116.7
252L42.4Very low38.7Very low169 Ų169151.8 Ų151.889%0.88584%0.837SS**  trans-107.2133.6141.4-83.2107.6000109.8
253P43.4Very low38.7Very low122 Ų122153.3 Ų153.379%0.79284%0.836SS**  trans-75.5131.9-17730-32.6000111.6K255P253-K255 PolarHBondContact O-N 2.89Å
254S35.4Very low38.8Very low120 Ų120148.3 Ų148.384%0.83983%0.834SS**  trans-80.797.6176.811.50000111.4
255K41Very low38.7Very low212 Ų212151.5 Ų151.592%0.92284%0.836SS**  trans-152.4104.8155-69.3-169.5-178.4167.40109.4P253P253-K255 PolarHBondContact O-N 2.89Å
256G38.5Very low38.7Very low78 Ų78152 Ų15280%0.80483%0.834SS**  trans-168.7113.1175.600000109.9
257I43.9Very low38.5Very low161 Ų161147.4 Ų147.483%0.82683%0.827SS**  trans-77.5117.3-162.7-70.2153.4000111.2
258L46.3Very low38.7Very low183 Ų183145.3 Ų145.396%0.95883%0.827SS**  trans-140.7115.6145.4-80.6178000108.7
259K41.1Very low38.5Very low178 Ų178150.2 Ų150.277%0.77483%0.829SS**  trans-106.5132.2-173.5-149-175.9178.3179.70107.2
260N41.7Very low38.7Very low153 Ų153149.5 Ų149.582%0.81883%0.826SS**  trans87.7110161-50.3-25.9000119.2
261G36.2Very low38.4Very low75 Ų75156.8 Ų156.877%0.77384%0.836SS**  trans174.1122.9160.300000110.5
262P44.1Very low38.3Very low133 Ų133150 Ų15086%0.86483%0.826SS**  trans-94152.3-142.835.5-35.9000117.9
263Y34.4Very low38Very low225 Ų225150.2 Ų150.288%0.88283%0.827SS**  trans-31.8140.9166.7-68.2-95.7000119.9
264S37.2Very low37.5Very low111 Ų111151.8 Ų151.878%0.77683%0.828SS**  158.4144.1120.560.30000108.6
265F32.9Very low37.4Very low196 Ų196154.8 Ų154.886%0.8683%0.829SS**  cis-163.314114.8-153.6-111.5000109.7
266S34.7Very low37Very low97 Ų97156.6 Ų156.668%0.67883%0.83SS**  trans63.9102.3146-161.70000122.3
267S30.6Very low36.6Very low106 Ų106156.3 Ų156.374%0.74183%0.827SS**  trans-95.4125.6151.9172.10000109.9
268Q39Very low35.8Very low194 Ų194154.8 Ų154.891%0.90783%0.829SS**  trans-90.6111.1157-93.4178.9-28.100108.3
269R34.4Very low35.3Very low213 Ų213153.8 Ų153.880%0.80482%0.824SS**  trans-109.6110.4172.9-166.1178.5-167-172.85.2108.4
270S37.1Very low34.8Very low125 Ų125147.7 Ų147.787%0.87481%0.813SS**  trans-86.9119.4162.5-62.90000108.5
271R34.1Very low34.1Very low232 Ų232150.4 Ų150.488%0.87581%0.813SS**  trans-80.8134.7173.2-75.9175.4162.7168-4.8110
272G35.3Very low33.9Very low67 Ų67154.2 Ų154.269%0.69181%0.81SS**  trans-152.897.2156.100000106.2
273L36.7Very low33.2Very low173 Ų173153.5 Ų153.591%0.90681%0.809SS**  90.1121.3102.4-88.1169.4000113
274L32.2Very low33.1Very low155 Ų155151.2 Ų151.281%0.81281%0.806SS**  trans-39.4141.3169.9-75.5124.5000114.1
275Q34Very low32.9Very low184 Ų184150.9 Ų150.986%0.8680%0.801SS**  -165.5142.2121.8-149.980.1-6.300110.1
276R31.6Very low32.7Very low250 Ų250146.3 Ų146.394%0.94380%0.799SS**  trans-57.9153.5176.1-70.3169.8166.9140.5-6.2113.5
277G31.7Very low32.7Very low72 Ų72151.1 Ų151.174%0.74281%0.809SS**  trans167.299.1158.300000110.9
278C27.2Very low32.8Very low129 Ų129151.9 Ų151.987%0.87281%0.811SS**  trans-91.6104.3166.8-66.80000107.4
279D34.6Very low32.6Very low161 Ų161149.6 Ų149.686%0.86181%0.81SS**  trans-156.5119.5163.3-71.2-52.8000103.1
280G30.3Very low32.6Very low51 Ų51142.7 Ų142.753%0.52681%0.805SS.*  100111.867.900000107.9
281Y28.7Very low32.3Very low209 Ų209146.2 Ų146.282%0.8281%0.808SS**  trans56.5157.2161.875-95.2000116.4
282E30.7Very low32Very low155 Ų155138.5 Ų138.572%0.72480%0.8SS**  cis-152.1144.624-117.9158.2155.600108.3
283S30Very low31.6Very low118 Ų118143 Ų14383%0.82581%0.808SS**  trans-73.8127.3158.3470000109.7
284E31.6Very low31.1Very low177 Ų177145.3 Ų145.383%0.82781%0.81SS**  trans-125153.8172.3-105-153.194.900112
285P32.8Very low31Very low105 Ų105143.2 Ų143.268%0.68280%0.804SS**  -124.9175.5-128.621.63.3000114
286A30.2Very low30.7Very low99 Ų99138.6 Ų138.682%0.81880%0.797SS**PPolyproline II helixtrans-69.1140.8176.100000113.2
287F33.2Very low30.8Very low199 Ų199131.3 Ų131.387%0.87378%0.782SS**PPolyproline II helixtrans-64.5143.2174.4-76.9-95.6000113.2
288P32.9Very low30.8Very low121 Ų121139.6 Ų139.679%0.78679%0.791SS**PPolyproline II helixtrans-88.8130.1164.433.1-28000111.1
289V35.7Very low31.1Very low147 Ų147139.5 Ų139.589%0.89178%0.778SS**  trans-90.4110.8165.9175.10000107.8
290G33.3Very low30.7Very low68 Ų68137.7 Ų137.770%0.70178%0.777SS**  trans-74.8151.217200000112.6
291E31.2Very low30.8Very low198 Ų198146 Ų14693%0.92579%0.792SS**  trans-66.2152.7-171.7-56.8176.1144.700114.6
292G27.2Very low30.7Very low70 Ų70143 Ų14372%0.72279%0.79SS**  trans88.485138.100000117.7
293L27Very low30.6Very low163 Ų163143.5 Ų143.585%0.85379%0.792SS**  trans-146.3109.5134.4-133.980.5000110.1V295L293-V295 HydrophobicContact CD2-CG2 4.38Å; L293-V295 PolarHBondContact O-N 3.06Å; L293-V295 VanDerWaalsContact O-N 3.17Å
294K26.5Very low30.8Very low220 Ų220143.5 Ų143.596%0.95779%0.786SS**  trans-74.797.2179.8-154171.6-172.5177.20108
295V30.1Very low30.7Very low112 Ų112140.9 Ų140.968%0.67978%0.778SS**  trans-119.9111.5173.3-175.10000108L293L293-V295 HydrophobicContact CD2-CG2 4.38Å; L293-V295 PolarHBondContact O-N 3.06Å; L293-V295 VanDerWaalsContact O-N 3.17Å
296A28.7Very low30.6Very low87 Ų87141.8 Ų141.872%0.71979%0.787SS**  trans-63.5131.6178.900000110.9R298A296-R298 PolarHBondContact O-N 2.91Å
297P33Very low30.8Very low97 Ų97141.4 Ų141.463%0.6378%0.778SS**  trans-90.7101.1169.734.8-27.8000108.6H299P297-H299 VanDerWaalsContact C-N 3.29Å; P297-H299 WeakPolarHBondContact CB-NE2 3.49Å; P297-H299 PolarHBondContact O-N 2.87Å
298R31.6Very low30.9Very low245 Ų245139.6 Ų139.693%0.92578%0.778SS**  trans-70.193.9156.4-78.8-169.5165.5-170.8-3.9107.2A296 C300A296-R298 PolarHBondContact O-N 2.91Å; R298-C300 PolarHBondContact O-N 3.05Å
299H33.3Very low30.9Very low127 Ų127137.8 Ų137.859%0.58878%0.781SS**  trans-75.898.6170.2-74.9-84.2000109.4P297 W301P297-H299 VanDerWaalsContact C-N 3.29Å; P297-H299 WeakPolarHBondContact CB-NE2 3.49Å; P297-H299 PolarHBondContact O-N 2.87Å; H299-W301 AromaticContact ND1-CZ2 3.99Å
300C26.8Very low30.7Very low124 Ų124142.3 Ų142.384%0.83878%0.782SS**  trans-79.5111.3153.8-71.90000107.1R298R298-C300 PolarHBondContact O-N 3.05Å
301W31.8Very low30.6Very low225 Ų225145.8 Ų145.885%0.85279%0.789SS**  trans-88.9127.1165.8-64.493.9000108.1H299H299-W301 AromaticContact ND1-CZ2 3.99Å
302L26.8Very low30.6Very low147 Ų147141.1 Ų141.177%0.7778%0.778SS**  trans-110105.8177.9-146.1139.8000106.5V304L302-V304 HydrophobicContact CD2-CG2 3.74Å; L302-V304 PolarHBondContact O-N 3.15Å
303Q28.6Very low30.8Very low165 Ų165144.9 Ų144.977%0.77178%0.781SS**  trans-77.5113.6171.4-175.3163.9-25.900107.3
304V34.7Very low31.1Very low117 Ų117144 Ų14471%0.70978%0.777SS**  trans-99.195.1176.1-178.70000106.8L302L302-V304 HydrophobicContact CD2-CG2 3.74Å; L302-V304 PolarHBondContact O-N 3.15Å
305D29.8Very low31.3Very low123 Ų123142.1 Ų142.166%0.65877%0.771SS**  trans-74.6122.4164.8-91.2-53.7000109S307D305-S307 VanDerWaalsContact C-N 3.34Å; D305-S307 PolarHBondContact O-N 2.81Å; D305-S307 VanDerWaalsContact O-N 3.13Å
306S30.5Very low31.4Very low123 Ų123145 Ų14586%0.8678%0.777SS**  trans-85.277.7-179.6-164.80000109.5
307S33.5Very low31.5Very low91 Ų91145.3 Ų145.364%0.63677%0.774SS**SBendtrans-161.2119.5159.752.80000108.8D305D305-S307 VanDerWaalsContact C-N 3.34Å; D305-S307 PolarHBondContact O-N 2.81Å; D305-S307 VanDerWaalsContact O-N 3.13Å
308D36.8Very low31.5Very low161 Ų161151.7 Ų151.786%0.86179%0.787SS**  trans70.896.3168-56-27.7000118R310D308-R310 PolarHBondContact O-N 3.4Å
309G31.2Very low31.7Very low83 Ų83147.9 Ų147.986%0.85678%0.784SS**  trans-61.1106.5169.800000112.5
310R31.5Very low31.7Very low243 Ų243147.7 Ų147.792%0.91779%0.794SS**  trans-174.1109.6148-100.1172.6-156178.97.1108D308D308-R310 PolarHBondContact O-N 3.4Å
311V31.8Very low32Very low141 Ų141146.9 Ų146.986%0.85579%0.79SS**  trans-108.9110.8172.61790000109.5
312S32.3Very low32.1Very low99 Ų99145.8 Ų145.869%0.69279%0.791SS**  trans-87.2132.5159.153.60000109.1N314S312-N314 PolarHBondContact O-N 3.4Å
313I30.7Very low32.4Very low150 Ų150142.7 Ų142.777%0.76980%0.795SS**  trans-83.7108.2179.3-52167.9000108.1
314N33.6Very low32.6Very low144 Ų144138.5 Ų138.577%0.7779%0.788SS**  trans-113.3122.8163.8-77.2-8.8000109S312S312-N314 PolarHBondContact O-N 3.4Å
315H29.8Very low32.3Very low181 Ų181142.9 Ų142.984%0.83879%0.793SS**  trans-98.598.9-178.3-153.2-77.8000106.3
316E33.5Very low32.5Very low173 Ų173145.3 Ų145.381%0.80880%0.801SS**  trans-113.9120.9175.4-151.899.617200110.1
317S30.6Very low32.3Very low93 Ų93145.9 Ų145.965%0.6580%0.8SS**  trans-83.5141.4-172.443.70000113.7
318Y33.3Very low32.5Very low230 Ų230148.7 Ų148.790%0.90281%0.812SS**  trans-144.3109.5150.8-91.9-85.8000110.7
319L34.3Very low32.1Very low165 Ų165144.8 Ų144.886%0.86481%0.811SS**  trans-124.7136.3161.8-90169.8000107.3
320P34.4Very low32.2Very low124 Ų124144.3 Ų144.381%0.80581%0.806SS**  trans-87.6121.2172.432.4-27.1000111.3
321S31.6Very low32.1Very low106 Ų106142.4 Ų142.474%0.74180%0.804SS**  trans14.9115.9146.8-168.30000119.9
322K34.6Very low32.3Very low202 Ų202144.6 Ų144.688%0.87881%0.805SS**  169.1124114.5-92.4178.2-179.4179.50113.1
323G33.3Very low32.2Very low82 Ų82146.5 Ų146.585%0.84581%0.812SS**  trans79.1148.4161.300000115.9
324A32.5Very low32.3Very low77 Ų77144 Ų14464%0.63681%0.814SS**  cis-170.2129.4-12.800000105.2
325Y29.4Very low32Very low209 Ų209143.7 Ų143.782%0.8282%0.817SS**  trans51.8143.5161.773.1-89.4000124.9
326E32.3Very low32Very low174 Ų174141 Ų14181%0.81382%0.818SS**  trans78.8102.4155-73.2176.2165.400122.5
327T28Very low31.7Very low136 Ų136144.5 Ų144.583%0.83482%0.823SS**  trans-72.6128.4161.544.60000112.7
328V36Very low31.9Very low149 Ų149145.6 Ų145.690%0.90383%0.831SS**  trans-137.5125.8149-179.30000108.6
329G30.1Very low31.9Very low80 Ų80146.1 Ų146.183%0.82583%0.831SS**  trans-77.5156.7-170.600000115.4
330G33.2Very low31.8Very low73 Ų73144.9 Ų144.975%0.75383%0.825SS**  trans-169.198.1170.300000110.6
331K29.7Very low31.9Very low202 Ų202146.3 Ų146.388%0.87883%0.826SS**  trans-74.4119.4174-71.7174.5177.2175.30109.5
332H36.1Very low32Very low188 Ų188149 Ų14987%0.8783%0.826SS**  trans-135.899.1158.2-82.4-95.5000109.6
333T28.6Very low32.2Very low139 Ų139146.1 Ų146.185%0.85383%0.826SS**  trans-79.7112.4168.747.50000109
334A33.5Very low32.2Very low98 Ų98147.1 Ų147.181%0.8183%0.826SS**  trans-107.3103168.900000109.3C336A334-C336 PolarHBondContact O-N 2.79Å
335T28.2Very low32.1Very low136 Ų136148.4 Ų148.483%0.83484%0.836SS**  trans-76.6107.9175-10000109.5
336C28.4Very low32.4Very low125 Ų125143 Ų14385%0.84584%0.835SS**  trans-102.3103.1165.1-87.40000110A334A334-C336 PolarHBondContact O-N 2.79Å
337R28.7Very low32.6Very low247 Ų247143 Ų14393%0.93284%0.839SS**  trans-73.5121.5164-88.7178.2168.6157.1-3.5108.9
338S34.5Very low33.1Very low116 Ų116142.9 Ų142.981%0.81184%0.838SS**  trans-118.6120.6162-68.10000109L340S338-L340 PolarHBondContact O-N 2.94Å
339R33.5Very low33Very low241 Ų241140.9 Ų140.991%0.90983%0.83SS**  trans-67.8125.7-178.9-66.6-176.2-169.5-134.74110.1
340L31.9Very low33.4Very low139 Ų139141.9 Ų141.973%0.72882%0.822SS**  trans-82.9111.7170-146.876.2000108.2S338 H342S338-L340 PolarHBondContact O-N 2.94Å; L340-H342 WeakPolarHBondContact CD2-NE2 3.38Å
341N36.6Very low33.4Very low153 Ų153148.7 Ų148.782%0.81883%0.827SS**  trans-105.7104.3163.3-85.7-3.1000107.9
342H33.4Very low33.7Very low162 Ų162146.6 Ų146.675%0.7582%0.824SS**  trans-64.7126.3167.7-74.3-91.7000110.1L340L340-H342 WeakPolarHBondContact CD2-NE2 3.38Å
343T37.3Very low33.6Very low143 Ų143147.2 Ų147.288%0.87782%0.82SS**  trans-149.2144.8146.130.50000109.2
344A35.1Very low33.7Very low102 Ų102148.9 Ų148.984%0.84382%0.822SS**  trans-80164.5-148.600000115.9
345A30.6Very low33.9Very low104 Ų104154 Ų15486%0.8682%0.821SS**  trans-49.7141.6174.900000114.8
346A34.4Very low34.2Very low95 Ų95153.9 Ų153.979%0.78582%0.815SS**  trans-142.8128.8154.500000109.7
347I37.3Very low34.7Very low174 Ų174157.5 Ų157.589%0.89282%0.819SS**  trans-66.4132.7-174.9-64.9156.3000110.1
348V37.1Very low34.8Very low135 Ų135150.7 Ų150.782%0.81881%0.805SS**  trans-83.2125-179.7178.10000110.1
349S34.9Very low34.7Very low106 Ų106154 Ų15474%0.74181%0.81SS**  trans-121.1136.9160.1-165.20000108
350P37.6Very low34.8Very low101 Ų101146.7 Ų146.766%0.65680%0.801SS**  trans-96.5108.7-156.834.3-29000112.2
351Y34.1Very low35Very low217 Ų217147.5 Ų147.585%0.85181%0.806SS**  trans-153.8128.3161.5-88.3-74.6000111.7
352L34.9Very low34.8Very low158 Ų158148.5 Ų148.583%0.82781%0.811SS**  trans64.4115.4165.1-78.293.3000119.1
353Y34.2Very low34.9Very low201 Ų201145 Ų14579%0.78881%0.811SS**  -164.4118.7121.6-136.2-106.2000113.1R355Y353-R355 HydrophobicContact CD1-CB 4.38Å; Y353-R355 HydrophobicContact CE1-CB 3.87Å
354I32.2Very low34.8Very low174 Ų174143 Ų14389%0.89280%0.802SS**  trans-121.5116155.3-64.6175.4000105.6
355R36.7Very low34.7Very low205 Ų205144.1 Ų144.177%0.77480%0.799SS**  trans-157.4100.1158.4-152171.6-173.8147.71.2113.3Y353Y353-R355 HydrophobicContact CD1-CB 4.38Å; Y353-R355 HydrophobicContact CE1-CB 3.87Å
356N34.3Very low34.9Very low134 Ų134144.9 Ų144.972%0.71779%0.793SS**  trans19.9115.8139-136.78.8000119.2
357Q39.2Very low34.9Very low201 Ų201148.9 Ų148.994%0.93980%0.796SS**  trans-121.1101.5156.4-78.6-172.923.200109.5
358T30.7Very low34.7Very low104 Ų104146.6 Ų146.664%0.63880%0.795SS**  trans-97143.7157.549.60000108
359M33.4Very low34.3Very low186 Ų186144.9 Ų144.992%0.91680%0.795SS**  trans122.5101.8161.1-58.2-116.9-169.100113.1
360A35.6Very low34.3Very low86 Ų86147 Ų14771%0.71180%0.803SS**  trans138.2111.9161.400000107.8
361N36.4Very low34.1Very low157 Ų157150.7 Ų150.784%0.8481%0.812SS**  cis-159.9135.624.5-74-43.7000110
362N31.7Very low34.2Very low173 Ų173146.1 Ų146.193%0.92581%0.809SS**  trans-87128.5158.8-84.6-14.3000109.2
363A34.4Very low34Very low89 Ų89148.4 Ų148.474%0.73681%0.812SS**  trans-166.982.4151.900000106.6
364S35.1Very low34Very low100 Ų100145.1 Ų145.170%0.69981%0.813SS**  81.8105.697.571.30000114.6
365T33.7Very low34.1Very low127 Ų127142.9 Ų142.978%0.77981%0.807SS**  64.8133.4129.960.20000117.9
366T35.3Very low34.2Very low120 Ų120138.8 Ų138.874%0.73680%0.804SS**  cis-165134.346.837.80000112.4
367E33.8Very low34.3Very low178 Ų178138.3 Ų138.383%0.83281%0.81SS**  trans16134.2143.3-65.1172.8125.100122.9
368S33.6Very low34.5Very low127 Ų127134.2 Ų134.289%0.88880%0.803SS**  -172.8139.3102.3-75.80000112.5
369A29Very low34.7Very low98 Ų98139.8 Ų139.881%0.8182%0.819SS**  trans-86.5151.9-159.700000116.6
370V34.5Very low34.8Very low151 Ų151134.6 Ų134.692%0.91581%0.813SS**  trans-152.9130.7144.1-174.40000110.1
371E34.3Very low34.6Very low178 Ų178135.2 Ų135.283%0.83282%0.818SS**PPolyproline II helixtrans-91.4147.6-174.5-172.1-175.5-178.600112.9
372P34.7Very low34.5Very low121 Ų121136.3 Ų136.379%0.78682%0.82SS**PPolyproline II helixtrans-102135.1175.135.1-27.2000114.3
373K31.4Very low34.7Very low206 Ų206136 Ų13690%0.89681%0.813SS**PPolyproline II helixtrans-80.9140.8176.2-76.1174.2175.5172.60113.1
374V33.7Very low34.7Very low133 Ų133138.8 Ų138.881%0.80682%0.815SS**PPolyproline II helixtrans-83.5139.5170.5175.80000110.7V376V374-V376 HydrophobicContact CG1-CG2 4.48Å
375V35.4Very low34.7Very low126 Ų126141.5 Ų141.576%0.76482%0.817SS**  trans-117.2130.3172177.50000109.7
376V38.5Very low34.7Very low120 Ų120142.3 Ų142.373%0.72782%0.816SS**  trans-111130.6175.6177.20000108.1V374V374-V376 HydrophobicContact CG1-CG2 4.48Å
377C34.8Very low35Very low123 Ų123143.6 Ų143.683%0.83182%0.824SS**  trans-114.5127.8172.8-71.80000110.7
378S43.7Very low35.3Very low115 Ų115144.3 Ų144.380%0.80483%0.828SS**  trans-107.5142.7177.7-560000110.7
379K35.9Very low35.3Very low222 Ų222142 Ų14297%0.96583%0.825SS**  trans-85.4127.8-176.4-154.5175.8-173.3177.90110.8
380G35.3Very low35.9Very low76 Ų76143.8 Ų143.878%0.78483%0.825SS**  trans-115.5132.1170.400000110.7
381A31.2Very low35.9Very low100 Ų100145.6 Ų145.683%0.82683%0.826SS**  trans-91.2140.5-175.900000112.5
382M35Very low35.9Very low179 Ų179141.7 Ų141.788%0.88282%0.818SS**  trans-174.3143.1136.9-108.3-85.1138.200111.9
383H35Very low35.8Very low166 Ų166141.3 Ų141.377%0.76982%0.817SS**  trans-46.3140.9-176.7-94.9-115.6000116.3
384N35.1Very low35.9Very low148 Ų148141.7 Ų141.779%0.79181%0.813SS**  -168.2151.2100.7-1513.5000111.6
385E34.2Very low36Very low158 Ų158143.3 Ų143.374%0.73881%0.811SS**  trans-58.9155.5-173.2-81.316894.100115.8
386N33.8Very low36Very low143 Ų143145.9 Ų145.977%0.76582%0.815SS**  trans67.378164-67.2-8.4000117
387T42.5Very low35.7Very low147 Ų147149 Ų14990%0.90282%0.819SS**  trans-175135.5137.215.10000110.2G389T387-G389 PolarHBondContact O-N 3.36Å
388E39.6Very low35.7Very low193 Ų193148 Ų14890%0.90282%0.82SS**  trans-57115.5-179.7-61.5-178.5146.400111.2V390E388-V390 PolarHBondContact O-N 3.1Å; E388-V390 VanDerWaalsContact O-N 3.1Å
389G32.9Very low35.5Very low80 Ų80147.5 Ų147.583%0.82582%0.816SS**  trans-75.695.6-178.900000112.3T387 M391T387-G389 PolarHBondContact O-N 3.36Å; G389-M391 PolarHBondContact O-N 3.22Å
390V42.1Very low36Very low135 Ų135143 Ų14382%0.81881%0.81SS**  trans-71113162.8177.10000108.9E388 S392E388-V390 PolarHBondContact O-N 3.1Å; E388-V390 VanDerWaalsContact O-N 3.1Å; V390-S392 PolarHBondContact O-N 3.1Å
391M35.7Very low35.9Very low188 Ų188145.3 Ų145.393%0.92681%0.808SS**  trans-8293.9174.8-134.5132.1170.900109.5G389G389-M391 PolarHBondContact O-N 3.22Å
392S33.4Very low36.3Very low96 Ų96148.7 Ų148.767%0.67181%0.811SS**  trans-91.3107170.4-172.60000109.7V390 R394V390-S392 PolarHBondContact O-N 3.1Å; S392-R394 PolarHBondContact O-N 3.15Å
393C32.8Very low36.6Very low114 Ų114145.1 Ų145.177%0.7780%0.804SS**  trans-89.498.6166.1-68.70000109
394R34.3Very low36.7Very low214 Ų214142.6 Ų142.681%0.80880%0.802SS**  trans-73.7122.2169.3-89.1-179.9172.6164.7-1.4110.1S392 H396S392-R394 PolarHBondContact O-N 3.15Å; R394-H396 PolarHBondContact O-N 3.07Å
395H35Very low36.8Very low166 Ų166140.3 Ų140.377%0.76980%0.798SS**  trans-72.2112.4162.7-80.5-95.1000109.4F397H395-F397 HydrophobicContact CB-CD2 4.28Å; H395-F397 HydrophobicContact CB-CE2 4.16Å; H395-F397 PolarHBondContact O-N 3.17Å
396H34.8Very low37Very low181 Ų181140.2 Ų140.284%0.83880%0.801SS**  trans-80.197.8164.9-85.5-87.2000109R394R394-H396 PolarHBondContact O-N 3.07Å
397F33.4Very low37.2Very low184 Ų184139.2 Ų139.281%0.80780%0.8SS**  trans-79.4114158.7-78.3-83.5000108.2H395 S399H395-F397 HydrophobicContact CB-CD2 4.28Å; H395-F397 HydrophobicContact CB-CE2 4.16Å; H395-F397 PolarHBondContact O-N 3.17Å; F397-S399 PolarHBondContact O-N 2.67Å
398A35.2Very low36.8Very low104 Ų104137 Ų13786%0.8679%0.79SS**  trans-81.4110.6171.100000109.2
399S38.7Very low36.8Very low103 Ų103135.4 Ų135.472%0.7278%0.783SS**PPolyproline II helixtrans-93.9137.7159.9-61.20000108.8F397 V401F397-S399 PolarHBondContact O-N 2.67Å; S399-V401 PolarHBondContact O-N 3.21Å
400P45.2Very low37Very low128 Ų128138.8 Ų138.883%0.83178%0.782SS**PPolyproline II helixtrans-77.9123.8170.529.6-28.4000110
401V35.2Very low36.6Very low124 Ų124135.9 Ų135.975%0.75278%0.779SS**PPolyproline II helixtrans-72.9125171172.90000109.1S399S399-V401 PolarHBondContact O-N 3.21Å
402L39.3Very low36.5Very low171 Ų171132.8 Ų132.890%0.89578%0.776SS**  trans-143.6104.5147.5-98.2122.1000109.8
403S40Very low36.8Very low104 Ų104132.1 Ų132.173%0.72778%0.776SS**  trans-1.3158.6162.7-54.50000123.2
404P38.7Very low37Very low113 Ų113134 Ų13473%0.73477%0.773SS**  trans-106.4164.3-153.438.3-27.4000113.9
405S36.8Very low37Very low101 Ų101133.3 Ų133.371%0.70677%0.771SS**  150.6138.6121-67.90000113.6
406I37.2Very low37.1Very low155 Ų155129.4 Ų129.480%0.79576%0.762SS**  trans96.798.4150.6-59.9144.9000118.9
407V38.1Very low37.2Very low122 Ų122128.8 Ų128.874%0.73976%0.76SS**  57.1105.7124.5-173.80000120.3
408S34.2Very low37.4Very low100 Ų100126.8 Ų126.870%0.69976%0.762SS**  61.8140.1125.2-470000124.7
409H38.9Very low37.4Very low161 Ų161128.3 Ų128.375%0.74575%0.754SS**  trans96.7110.3149.1-81.3-75.9000120.3
410D37.6Very low37.2Very low150 Ų150134.4 Ų134.480%0.80276%0.762SS**  trans62.3135132.2-68.5-27.6000122.3
411G34.4Very low36.8Very low74 Ų74132.5 Ų132.576%0.76376%0.756SS**  trans126.183.9138.800000117.5
412S33.9Very low36.8Very low124 Ų124132.2 Ų132.287%0.86776%0.76SS**  trans15.6138139.3-153.50000121.9
413A38.2Very low37.1Very low81 Ų81129.7 Ų129.767%0.66975%0.754SS**  124.4118.812000000117.6
414E37.9Very low36.9Very low153 Ų153129.3 Ų129.372%0.71576%0.757SS**  trans71.8119.2132.4-121.7-176.8122.700120.6
415R34.5Very low36.6Very low201 Ų201131.6 Ų131.676%0.75876%0.763SS**  138.3128.693.6-160.1165.1-173.1144.8-8.9115.8
416S36.3Very low36.9Very low83 Ų83132.7 Ų132.758%0.5877%0.771SS**  trans52.6117.4144.6-62.30000121.4
417Q38Very low36.7Very low169 Ų169131.6 Ų131.679%0.7977%0.771SS**  59.812185.5-70.3-173.7-200115.1
418V37.7Very low36.4Very low141 Ų141132.3 Ų132.386%0.85578%0.78SS**  trans-153.3141.5135.8177.40000111
419I34Very low36.3Very low136 Ų136132.7 Ų132.770%0.69778%0.783SS**  trans-90.9152.2-174.3-64.2156.4000112.9
420R35Very low36.1Very low232 Ų232130.7 Ų130.788%0.87579%0.787SS**  trans173.4116.3137.5-103174.8-102.6-172.1-7.3109.3
421A36Very low36.1Very low87 Ų87128.5 Ų128.572%0.71978%0.784SS**  87.1120.258.300000115.6
422S35.2Very low36Very low119 Ų119135.6 Ų135.683%0.83279%0.787SS**  trans95.3161.5136.8-1080000121.6
423P45.8Very low36.1Very low118 Ų118135.6 Ų135.677%0.76678%0.777SS**  -136-177.2-115.433.6-8.5000115.2
424A36.9Very low35.8Very low95 Ų95140.7 Ų140.779%0.78579%0.789SS**  trans-176.2115.9155.700000112
425N33Very low35.9Very low161 Ų161140.3 Ų140.386%0.86179%0.791SS**  63.7114.5104.3-93-3.2000118.8
426S42.8Very low36Very low124 Ų124140.2 Ų140.287%0.86780%0.796SS**  -178.3142.3109.249.30000112.7
427T32.5Very low36.5Very low132 Ų132142.3 Ų142.381%0.8181%0.807SS**  trans-96.7152.1-171.643.80000112.7
428C31.5Very low36.6Very low138 Ų138143.5 Ų143.593%0.93281%0.81SS**  trans-151.5119145.5-130.20000112.5
429S31.4Very low36.8Very low108 Ų108142.8 Ų142.876%0.75581%0.808SS**  trans-89.5152.9178-83.70000112.8
430S36.6Very low37Very low118 Ų118144.8 Ų144.883%0.82582%0.819SS**  trans-154.894.1143.5-82.80000111.5
431S35.9Very low37Very low105 Ų105142.6 Ų142.673%0.73482%0.816SS**  13.9140.3120.3-62.10000116.7
432R33.8Very low37.4Very low222 Ų222145.4 Ų145.484%0.83882%0.819SS**  cis-178.1159.431.5-105.4167.4-173.7-122.34.9103.4
433L34.7Very low38Very low125 Ų125145.1 Ų145.165%0.65481%0.812SS**  cis-169.9133.839-153.692.9000106.8I435L433-I435 HydrophobicContact CD2-CD1 4.35Å; L433-I435 HydrophobicContact CD2-CG1 4.24Å
434M31.5Very low38Very low188 Ų188145.9 Ų145.993%0.92681%0.809SS**  trans-82.1135.5169.9-68.7-154.717700110.8
435I41.7Very low38.9Very low145 Ų145147.6 Ų147.674%0.74480%0.804SS**  trans-128.7109.3164.5-59.8178.3000108.3L433L433-I435 HydrophobicContact CD2-CD1 4.35Å; L433-I435 HydrophobicContact CD2-CG1 4.24Å
436K35.6Very low39.9Very low199 Ų199148.6 Ų148.687%0.86580%0.804SS**PPolyproline II helixtrans-66.7136.3166.8-80.6174.9172.3173.60110.4
437P46.1Very low40.3Very low127 Ų127150.3 Ų150.383%0.82580%0.796SS**PPolyproline II helixtrans-91.7139.6153.5-2.722000111.2
438K41.4Very low41.1Very low193 Ų193149.7 Ų149.784%0.83979%0.787SS**PPolyproline II helixtrans-71.4158.9-176.4-71.8166177.8170.40113
439P40.6Very low42.1Very low127 Ų127149.1 Ų149.183%0.82577%0.774SS**PPolyproline II helixtrans-74.8127.6178.731.3-32.9000111
440L39.5Very low43.1Very low177 Ų177151.6 Ų151.693%0.92777%0.771SS**PPolyproline II helixtrans-85.9116169-85.6151.4000109.1
441K34.9Very low43.7Very low186 Ų186152.5 Ų152.581%0.80976%0.762SS**PPolyproline II helixtrans-74.1132.7166.4-67.4-174.2175.3179.40109
442L44.2Very low44.4Very low147 Ų147154.1 Ų154.177%0.7776%0.762SS**  trans-162.380.8162.4-132.869.2000108
443T48.4Very low45.2Very low113 Ų113150 Ų15069%0.69376%0.757SS**  22.6100.795.862.90000112.8
444N44.7Very low45.8Very low133 Ų133151.8 Ų151.871%0.71176%0.761SS**SBendtrans163.1-3.1156.5-83.5-7.7000112.6
445I55.5Low46.3Very low131 Ų131152.3 Ų152.367%0.67276%0.758SS**SBendtrans-103-25.5179.8-55.9175.2000112.2F447I445-F447 VanDerWaalsContact C-N 3.34Å; I445-F447 PolarHBondContact O-N 3.17Å
446E54.4Low46.3Very low183 Ų183149.9 Ų149.986%0.85576%0.76SS**THydrogen-bonded Turntrans-75.1-14.6176.9-84.8-165.4140.900115.1
447F51.9Low46.4Very low159 Ų159145.6 Ų145.670%0.69775%0.75SS**THydrogen-bonded Turntrans-84.6-23.5177.3-169.8-104.2000112.8I445I445-F447 VanDerWaalsContact C-N 3.34Å; I445-F447 PolarHBondContact O-N 3.17Å
448L49.3Very low46.2Very low120 Ų120147.2 Ų147.263%0.62875%0.752SS**THydrogen-bonded Turntrans-87.3-23.3-178.2-68.5175.3000113.2K450L448-K450 VanDerWaalsContact C-N 3.35Å
449L51.3Low46.2Very low126 Ų126147.7 Ų147.766%0.6676%0.757SS**THydrogen-bonded Turntrans-81.6-10176.9-79163.9000114.1
450K52.5Low45.9Very low160 Ų160146.2 Ų146.270%0.69676%0.756SS**THydrogen-bonded Turntrans-94-4.9178-143.5172.3-175.6177.60114.3L448L448-K450 VanDerWaalsContact C-N 3.35Å
451Q50.2Low45.9Very low137 Ų137144 Ų14464%0.6476%0.755SS**SBendtrans-97.4-14.9178.8-70.6-72-50.500113.1
452L50.1Low45.9Very low139 Ų139144.4 Ų144.473%0.72876%0.757SS**SBendtrans-94.8-13.5-178.5-70.2168.9000113.6
453D49.5Very low45.6Very low136 Ų136143 Ų14373%0.72775%0.754SS**THydrogen-bonded Turntrans-86.9-5.2-178-138.917.1000113.8
454H48.2Very low44.9Very low161 Ų161145 Ų14575%0.74576%0.759SS**THydrogen-bonded Turntrans-106.79.7-175.7-84.4-68.8000115.2
455K42.8Very low44.4Very low200 Ų200142.5 Ų142.587%0.8776%0.757SS**SBendtrans-118.67.3-176.8-148.1-176.1177.9-168.80115.5
456A40.9Very low43.2Very low93 Ų93141.1 Ų141.177%0.76976%0.759SS**SBendtrans-114.112.3-174.600000114.9
457T38.2Very low42.3Very low109 Ų109139.2 Ų139.267%0.66976%0.76SS**  trans-121.495.5176.957.10000109.2
458N40.9Very low41.4Very low162 Ų162137 Ų13787%0.86676%0.763SS**  trans179.3139.5150-83.9-27.5000108.6
459E42Very low40.9Very low203 Ų203137 Ų13795%0.94977%0.771SS**  trans85.766.1178-54.5-160.1138.700117.6
460A34.7Very low39.8Very low96 Ų96134.6 Ų134.679%0.79378%0.777SS**  trans-123.3105.8145.800000108.6
461S38.6Very low38.9Very low129 Ų129133.2 Ų133.290%0.90279%0.787SS**  trans168.3128.6148.1-85.90000112
462K36Very low38Very low196 Ų196132 Ų13285%0.85279%0.794SS**  trans134.590.2148.3-156.5173.3-170.2-1720111.1
463V36.7Very low37.2Very low116 Ų116130.5 Ų130.570%0.70380%0.802SS**  81.2106.773.8172.40000113.7
464I33.8Very low36.2Very low157 Ų157132.2 Ų132.281%0.80581%0.805SS**  trans92.2136.3138-65.6170.8000122.4
465A33.9Very low35.3Very low80 Ų80133.1 Ų133.166%0.66182%0.815SS**  trans84.599.3152.600000118
466S31.8Very low34.7Very low102 Ų102127.4 Ų127.471%0.71380%0.8SS**  77.7110.777.169.20000114.3
467T35.3Very low34.4Very low143 Ų143130.8 Ų130.888%0.87780%0.804SS**  161.6123.5125.237.50000111.5
468S32.4Very low34.4Very low111 Ų111130 Ų13078%0.77680%0.801SS**  trans-85.8-171160.460.30000108.7
469P38.4Very low34Very low120 Ų120129.1 Ų129.178%0.77980%0.796SS**  cis-144.7179.95.138.5-16.6000116.8
470G29.4Very low33.9Very low77 Ų77127.5 Ų127.579%0.79479%0.789SS**  trans95.2114.8131.700000120.1
471S34.2Very low34.2Very low130 Ų130129.9 Ų129.991%0.90979%0.788SS**  158.7137.4112.8-169.90000112.5
472S29.6Very low34.1Very low112 Ų112127.3 Ų127.378%0.78378%0.782SS**  trans-81.1159.6-169.7-45.40000114.6
473A34.5Very low33.9Very low108 Ų108126.8 Ų126.889%0.89378%0.783SS**  trans-150.5111146.200000109.7
474E28.6Very low33.8Very low171 Ų171127.5 Ų127.580%0.79979%0.787SS**  trans-75.6147.9166.9-85.4172.174.400111.1
475L29Very low33.8Very low181 Ų181126.9 Ų126.995%0.94878%0.784SS**  trans-147.5125.8149.9-155.776000108.8
476S29.6Very low34Very low80 Ų80130.8 Ų130.856%0.55979%0.793SS**  trans-115.6161.9-167.8-60.20000112.4
477L35.8Very low34.1Very low163 Ų163128.2 Ų128.285%0.85378%0.783SS**  trans92.5154.2154-66.4129.2000119.7
478P38.3Very low34.2Very low92 Ų92128.4 Ų128.460%0.59778%0.779SS**  -146-175.4-6141.5-21.1000114.3
479D32.8Very low34.3Very low145 Ų145133.2 Ų133.278%0.77578%0.781SS**  trans60124.1150.7-59.8-42.2000122.5
480E39.6Very low34.1Very low169 Ų169136.5 Ų136.579%0.7978%0.784SS**  174.5130.5119.9-80.2-119.4108.900111.5
481D41Very low34.3Very low146 Ų146138.9 Ų138.978%0.78178%0.783SS**  trans71.1128.5151-59.8-40.3000124.5
482G35.6Very low34.3Very low75 Ų75138.1 Ų138.177%0.77378%0.777SS**  trans131.269.5139.600000117.7
483Q32.5Very low34.7Very low185 Ų185140.3 Ų140.386%0.86478%0.778SS**  trans-61.7127.2174.8-171.8168.519.400113.2
484V34.6Very low34.8Very low131 Ų131138.1 Ų138.179%0.79477%0.767SS**  trans-113134161.9177.90000108.7
485I33.4Very low35.3Very low144 Ų144139 Ų13974%0.73877%0.771SS**  trans-95.9110.8-169.1-38.8166.8000107.3
486D38.4Very low35.7Very low161 Ų161134.7 Ų134.786%0.86176%0.76SS**  trans-108.7104.6166-88.8-29000109.2
487G34.4Very low35.9Very low48 Ų48136.4 Ų136.450%0.49577%0.771SS.*  trans-82.6118.2179.900000112.2
488N36.9Very low35.9Very low148 Ų148136 Ų13679%0.79177%0.765SS**  trans-109.387.9156.7-79.3-7.8000108.3
489Y34Very low35.8Very low211 Ų211135.9 Ų135.983%0.82777%0.772SS**  trans-84.7111.8170.3-66.9-86000109.2
490F34.7Very low36.1Very low190 Ų190135.2 Ų135.283%0.83377%0.768SS**  trans-92.9113.6164.1-80.6-91000108.7
491V32.5Very low35.8Very low127 Ų127136 Ų13677%0.7777%0.769SS**  trans-95.1106.8169.8176.80000107.6
492S35Very low35.7Very low113 Ų113137.8 Ų137.879%0.7977%0.772SS**  trans-85.7116.9165.4-79.50000108.9G494S492-G494 PolarHBondContact O-N 2.89Å; S492-G494 VanDerWaalsContact O-N 3.08Å
493I38.2Very low35.8Very low158 Ų158142 Ų14281%0.8177%0.772SS**  trans-77.490.8170.4-56.9174.5000106.9
494G35.8Very low36Very low63 Ų63140.5 Ų140.565%0.64977%0.77SS**PPolyproline II helixtrans-68.3134.9164.100000109.4S492 A496S492-G494 PolarHBondContact O-N 2.89Å; S492-G494 VanDerWaalsContact O-N 3.08Å; G494-A496 PolarHBondContact O-N 3.42Å
495H39.8Very low35.8Very low190 Ų190139.2 Ų139.288%0.8877%0.766SS**PPolyproline II helixtrans-52.4123.2171.7-92.2-122000109.9C497H495-C497 PolarHBondContact O-N 3.11Å
496A37.2Very low36Very low89 Ų89140.2 Ų140.274%0.73677%0.773SS**PPolyproline II helixtrans-57.1131.1170.700000109.7G494 Q498G494-A496 PolarHBondContact O-N 3.42Å; A496-Q498 PolarHBondContact O-N 2.98Å
497C32.7Very low35.8Very low116 Ų116135.8 Ų135.878%0.78477%0.765SS**  trans-58.8102166.2-67.40000108.8H495 A499H495-C497 PolarHBondContact O-N 3.11Å; C497-A499 VanDerWaalsContact C-N 3.32Å; C497-A499 PolarHBondContact O-N 3.48Å; C497-A499 VanDerWaalsContact O-N 3.1Å
498Q37Very low35.7Very low156 Ų156141.3 Ų141.373%0.72978%0.783SS**  trans-77.688.9165.3-168.9102.118.200107.2A496 D500A496-Q498 PolarHBondContact O-N 2.98Å; Q498-D500 VanDerWaalsContact C-N 3.31Å; Q498-D500 PolarHBondContact NE2-OD1 3.44Å; Q498-D500 PolarHBondContact O-N 3.13Å
499A36.6Very low35.6Very low89 Ų89141.1 Ų141.174%0.73679%0.787SS**  trans-76.288.8160.600000107.5C497 K501C497-A499 VanDerWaalsContact C-N 3.32Å; C497-A499 PolarHBondContact O-N 3.48Å; C497-A499 VanDerWaalsContact O-N 3.1Å; A499-K501 VanDerWaalsContact C-N 3.29Å; A499-K501 PolarHBondContact O-N 2.68Å
500D38.7Very low35.5Very low131 Ų131136.4 Ų136.470%0.70179%0.785SS**  trans-70.393.6165-83.9-21000107.9Q498 Q502Q498-D500 VanDerWaalsContact C-N 3.31Å; Q498-D500 PolarHBondContact NE2-OD1 3.44Å; Q498-D500 PolarHBondContact O-N 3.13Å; D500-Q502 VanDerWaalsContact C-N 3.34Å; D500-Q502 PolarHBondContact O-N 3.49Å; D500-Q502 VanDerWaalsContact O-N 3.07Å
501K33.5Very low35.6Very low184 Ų184136.7 Ų136.780%0.879%0.789SS**  trans-73.488.9170-162.8-178.1-171.6-172.90107.6A499 E503A499-K501 VanDerWaalsContact C-N 3.29Å; A499-K501 PolarHBondContact O-N 2.68Å; K501-E503 PolarHBondContact O-N 3.18Å
502Q39.2Very low35.7Very low184 Ų184139 Ų13986%0.8679%0.791SS**  trans-79.998.4165.7-154.91508.700107.4D500 N504D500-Q502 VanDerWaalsContact C-N 3.34Å; D500-Q502 PolarHBondContact O-N 3.49Å; D500-Q502 VanDerWaalsContact O-N 3.07Å; Q502-N504 PolarHBondContact O-N 3.39Å
503E36.6Very low36Very low163 Ų163139 Ų13976%0.76279%0.792SS**  trans-56.4102.7167-77.9-177.2142.400108.7K501K501-E503 PolarHBondContact O-N 3.18Å
504N37.3Very low36Very low154 Ų154137.1 Ų137.182%0.82478%0.783SS**  trans-119.3102.4153.3-156.417000106.8Q502 N506Q502-N504 PolarHBondContact O-N 3.39Å; N504-N506 PolarHBondContact O-N 3.13Å; N504-N506 VanDerWaalsContact O-N 3.08Å
505C30.3Very low35.8Very low105 Ų105139.8 Ų139.871%0.70979%0.79SS**  trans-57.9108.4173.7-67.50000109.5
506N37.6Very low35.7Very low165 Ų165136 Ų13688%0.88277%0.772SS**  trans-177.9113.5141.4-91.3-23.8000110.8N504N504-N506 PolarHBondContact O-N 3.13Å; N504-N506 VanDerWaalsContact O-N 3.08Å
507G33.4Very low35.6Very low68 Ų68135.7 Ų135.770%0.70177%0.769SS**  trans83.398.7145.700000118.2
508N32.5Very low35.7Very low163 Ų163136.7 Ų136.787%0.87276%0.761SS**  trans70.1128.2141.4-67.8-8.7000121.1
509V34.4Very low36Very low145 Ų145134 Ų13488%0.87976%0.755SS**  trans102.8112.7153.1-164.40000116.6
510S31.5Very low36.3Very low112 Ų112137 Ų13778%0.78376%0.759SS**  trans-60.4138.1178.1-37.40000114.7
511Q37.4Very low36.8Very low195 Ų195138 Ų13891%0.91177%0.765SS**  trans-160.6123134.1-133.6167.1-0.300111.2
512E36Very low37.3Very low176 Ų176137.1 Ų137.182%0.82276%0.756SS**  trans-80.8127.2178.9-164.4169.1-170.200108.4
513S39.9Very low37.4Very low114 Ų114132.6 Ų132.680%0.79774%0.743SS**  trans-12793.8174.844.70000110.7
514D38Very low37.7Very low118 Ų118131.5 Ų131.563%0.63173%0.733SS**  trans-62.1127.8171.5-73.5-40.3000111.7F516D514-F516 HydrophobicContact CB-CD2 4.23Å; D514-F516 HydrophobicContact CB-CE2 3.79Å; D514-F516 HydrophobicContact CB-CZ 4.46Å; D514-F516 PolarHBondContact O-N 3.06Å
515C32.7Very low38.1Very low118 Ų118128.3 Ų128.380%0.79772%0.719SS**  trans-85.3102.8171.3-71.50000109.8
516F36.4Very low38.6Very low112 Ų112133.4 Ų133.449%0.49174%0.735SS.*PPolyproline II helixtrans-84121.9171.9-74.6-86.3000111.1D514 P523 T525D514-F516 HydrophobicContact CB-CD2 4.23Å; D514-F516 HydrophobicContact CB-CE2 3.79Å; D514-F516 HydrophobicContact CB-CZ 4.46Å; D514-F516 PolarHBondContact O-N 3.06Å; F516-P523 HydrophobicContact CD1-CB 3.97Å; F516-P523 HydrophobicContact CE1-CB 3.99Å; F516-T525 HydrophobicContact CE1-CG2 4.39Å
517A35.9Very low39.7Very low81 Ų81129.1 Ų129.167%0.66973%0.73SS**PPolyproline II helixtrans-87.8125.8163.900000109.3
518H34.5Very low40.2Very low137 Ų137136.5 Ų136.563%0.63475%0.746SS**PPolyproline II helixtrans-87.6120177.2-95.8-88.4000111.1
519V42.7Very low40.6Very low99 Ų99135.2 Ų135.260%0.674%0.74SS**BIsolated β-bridgetrans-124.1124.9160.5-179.50000107.1N521 R522V519-N521 PolarHBondContact O-N 3.27Å; V519-R522 PolarHBondContact O-N 3.45Å
520N44.5Very low40.9Very low152 Ų152134.7 Ų134.781%0.81373%0.733SS**THydrogen-bonded Turntrans5247.6174.5-64.1-20.4000116.2R522N520-R522 PolarHBondContact O-N 3.49Å
521N48.8Very low41.4Very low153 Ų153135.9 Ų135.982%0.81873%0.73SS**THydrogen-bonded Turntrans52.523.5174-91.14.8000115.4V519V519-N521 PolarHBondContact O-N 3.27Å
522R43.8Very low41.7Very low165 Ų165132.5 Ų132.562%0.62372%0.719SS**BIsolated β-bridgetrans-121.8131.2169.5-81.3-169.5-173.5-150.41.3111.1V519 N520 Y524V519-R522 PolarHBondContact O-N 3.45Å; N520-R522 PolarHBondContact O-N 3.49Å; R522-Y524 HydrophobicContact CB-CD2 4.27Å; R522-Y524 HydrophobicContact CB-CE2 3.79Å
523P40.8Very low42Very low90 Ų90129.8 Ų129.858%0.58471%0.713SS**  trans-72.3126.1167.629.7-29.7000108.8F516F516-P523 HydrophobicContact CD1-CB 3.97Å; F516-P523 HydrophobicContact CE1-CB 3.99Å
524Y42.3Very low42.2Very low139 Ų139130.8 Ų130.855%0.54571%0.707SS.*  trans-116.2127.8165.1-73.7-82.8000108.2R522R522-Y524 HydrophobicContact CB-CD2 4.27Å; R522-Y524 HydrophobicContact CB-CE2 3.79Å
525T47.1Very low42.5Very low87 Ų87131.7 Ų131.753%0.53471%0.712SS.*  trans-76.8140.3170.346.40000109.1F516 G527F516-T525 HydrophobicContact CE1-CG2 4.39Å; T525-G527 PolarHBondContact O-N 3.41Å
526M40.8Very low43.2Very low212 Ų212132.8 Ų132.8100%1.04471%0.706SS**THydrogen-bonded Turntrans-71.283.5178-159-173.7-8300109
527G59.2Low43.8Very low75 Ų75134.5 Ų134.577%0.77372%0.724SS**THydrogen-bonded Turntrans180-3.4-174.600000114.9T525T525-G527 PolarHBondContact O-N 3.41Å
528E44.9Very low44.5Very low224 Ų224139.4 Ų139.4100%1.04773%0.729SS**  trans-118.20174.6-73.1-174.5128.800112.6

Retrieved 528 of 528 residues in 468.5 ms (Link to these results)