A0A061IDW2_CRIGR Loading...

Insulin-like 6

AlphaFold DB , UniProt , Accession A0A061IDW2, Species CRIGR (Cricetulus griseus, Chinese hamster), Gene n/a, Length 178 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M49.5Very low80Confident239 Ų239116 Ų116100%1.17757%0.573SS**  0109.60-75.2168.5169.900107.9N3M1-N3 PolarHBondContact O-N 3.1Å
2E56.7Low80.7Confident121 Ų121116 Ų11657%0.56557%0.57SS**  trans-79.186.4-175-168.6177.5-152.300109.6R4 R6E2-R4 HydrophobicContact CG-CB 4.2Å; E2-R4 HydrophobicContact CG-CG 4.26Å; E2-R4 PolarHBondContact O-N 3.09Å; E2-R4 VanDerWaalsContact O-N 3.12Å; E2-R6 IonicContact OE2-NH2 2.91Å; E2-R6 PolarHBondContact OE2-NH2 3.3Å
3N68.6Low81.4Confident96 Ų96107.8 Ų107.851%0.51353%0.53SS..  trans-84.538177.3-155.3-3.7000111.7M1 T156 E158M1-N3 PolarHBondContact O-N 3.1Å; N3-T156 WeakPolarHBondContact OD1-CB 3.18Å; N3-T156 WeakPolarHBondContact OD1-CG2 3.37Å; N3-E158 PolarHBondContact OD1-OE2 3.14Å
4R84.2Confident81.7Confident189 Ų189106.3 Ų106.371%0.71352%0.524SS*.  trans-86.1128.6177.8-74-173177.7-146.20.9108.9E2 R6E2-R4 HydrophobicContact CG-CB 4.2Å; E2-R4 HydrophobicContact CG-CG 4.26Å; E2-R4 PolarHBondContact O-N 3.09Å; E2-R4 VanDerWaalsContact O-N 3.12Å; R4-R6 PolarHBondContact O-N 3.22Å
5P86.6Confident81.9Confident79 Ų79103.1 Ų103.151%0.51352%0.516SS..  trans-64131.9176.524.7-31.4000109.8C155 T156P5-C155 WeakPolarHBondContact CA-O 3.23Å; P5-T156 HydrophobicContact CB-CG2 4.27Å
6R87.8Confident82.2Confident120 Ų120100 Ų10045%0.45350%0.5SS..BIsolated β-bridgetrans-107.5133.4178.6-63.7-175.9-179.8-164.1-2.1109.3E2 R4 L8 G154 C155E2-R6 IonicContact OE2-NH2 2.91Å; E2-R6 PolarHBondContact OE2-NH2 3.3Å; R4-R6 PolarHBondContact O-N 3.22Å; R6-L8 HydrophobicContact CB-CG 4.42Å; R6-L8 PolarHBondContact O-N 2.98Å; R6-G154 CarbonylContact O-C 3.6Å; R6-G154 VanDerWaalsContact O-CA 3.27Å; R6-G154 WeakPolarHBondContact O-CA 3.29Å; R6-C155 PolarHBondContact N-O 3.12Å; R6-C155 PolarHBondContact O-N 2.91Å
7K93Very high82.4Confident143 Ų14394.9 Ų94.962%0.62248%0.475SS*.  trans-80.2115.8175-62.9-166.7-176.5-162.70109.4C150 L152K7-C150 VanDerWaalsContact CA-O 3.32Å; K7-C150 WeakPolarHBondContact CA-O 3.5Å; K7-L152 VanDerWaalsContact CE-O 3.32Å; K7-L152 WeakPolarHBondContact CE-O 3.46Å; K7-L152 PolarHBondContact NZ-O 3.35Å
8L89Confident82.4Confident26 Ų2694.6 Ų94.614%0.13647%0.473CS..  trans-132.4127.9-176.7-65.1170.8000109R6 H12 L13 Q16 C150 C151 L160R6-L8 HydrophobicContact CB-CG 4.42Å; R6-L8 PolarHBondContact O-N 2.98Å; L8-H12 HydrophobicContact CD2-CB 4.25Å; L8-L13 HydrophobicContact CB-CB 3.95Å; L8-L13 HydrophobicContact CB-CD1 3.93Å; L8-L13 HydrophobicContact CD1-CD1 4.49Å; L8-Q16 HydrophobicContact CD1-CB 3.73Å; L8-Q16 HydrophobicContact CD1-CG 3.72Å; L8-C150 PolarHBondContact N-O 3.43Å; L8-C150 CarbonylContact O-C 3.27Å; L8-C150 VanDerWaalsContact O-C 3.27Å; L8-C151 WeakPolarHBondContact O-CA 3.36Å; L8-C151 PolarHBondContact O-N 3.33Å; L8-L160 HydrophobicContact CD1-CD1 3.91Å; L8-L160 HydrophobicContact CD1-CD2 4.35Å
9C89.9Confident82.5Confident52 Ų5296 Ų9635%0.35148%0.476SS..  trans-127.9147.6-176.8-47.90000110.2K11 H12 L13 C151C9-K11 PolarHBondContact O-N 3.47Å; C9-H12 PolarHBondContact O-N 3.42Å; C9-H12 VanDerWaalsContact O-N 3.1Å; C9-L13 PolarHBondContact O-N 3.03Å; C9-C151 HydrophobicContact CB-CB 3.8Å; C9-C151 WeakPolarHBondContact CB-SG 3.44Å; C9-C151 WeakPolarHBondContact SG-CA 3.04Å; C9-C151 WeakPolarHBondContact SG-CB 3.05Å; C9-C151 CovalentContact SG-SG 2.03Å; C9-C151 PolarHBondContact SG-SG 3.37Å
10G87.9Confident82.5Confident57 Ų5792.6 Ų92.659%0.58846%0.46SS*.Hα-helixtrans48.1-121.9171.800000113.6H12 L13 L14G10-H12 VanDerWaalsContact C-N 3.29Å; G10-H12 PolarHBondContact O-N 3.31Å; G10-L13 WeakPolarHBondContact O-CB 3.23Å; G10-L13 PolarHBondContact O-N 2.98Å; G10-L14 PolarHBondContact O-N 3.16Å; G10-L14 VanDerWaalsContact O-N 3.07Å
11K86.5Confident82.4Confident154 Ų15488.9 Ų88.967%0.6744%0.443SS*.Hα-helixtrans-59.6-32.9-177.768.5-179.4-178.3179.90114.6C9 S15C9-K11 PolarHBondContact O-N 3.47Å; K11-S15 VanDerWaalsContact O-CB 3.32Å; K11-S15 WeakPolarHBondContact O-CB 3.28Å; K11-S15 PolarHBondContact O-N 3.33Å; K11-S15 PolarHBondContact O-OG 2.96Å
12H89.1Confident83.4Confident116 Ų11680.7 Ų80.754%0.53742%0.419SS..Hα-helixtrans-74.3-36.9-179.4-63103.5000111.3L8 C9 G10 Q16L8-H12 HydrophobicContact CD2-CB 4.25Å; C9-H12 PolarHBondContact O-N 3.42Å; C9-H12 VanDerWaalsContact O-N 3.1Å; G10-H12 VanDerWaalsContact C-N 3.29Å; G10-H12 PolarHBondContact O-N 3.31Å; H12-Q16 WeakPolarHBondContact O-CB 3.47Å; H12-Q16 PolarHBondContact O-N 3.41Å
13L89.5Confident83.7Confident9 Ų982.9 Ų82.95%0.04743%0.43CS..Hα-helixtrans-61.5-51.2171.7177.863.6000110.3L8 C9 G10 S15 Q16 I17 F146 C150 L160L8-L13 HydrophobicContact CB-CB 3.95Å; L8-L13 HydrophobicContact CB-CD1 3.93Å; L8-L13 HydrophobicContact CD1-CD1 4.49Å; C9-L13 PolarHBondContact O-N 3.03Å; G10-L13 WeakPolarHBondContact O-CB 3.23Å; G10-L13 PolarHBondContact O-N 2.98Å; L13-S15 PolarHBondContact O-N 3.16Å; L13-Q16 PolarHBondContact O-N 3.33Å; L13-I17 HydrophobicContact CD1-CD1 3.96Å; L13-I17 HydrophobicContact CD1-CG1 4.35Å; L13-I17 HydrophobicContact CG-CD1 3.81Å; L13-I17 VanDerWaalsContact O-CG1 3.29Å; L13-I17 WeakPolarHBondContact O-CG1 3.5Å; L13-I17 PolarHBondContact O-N 3.02Å; L13-F146 HydrophobicContact CD1-CE1 4.39Å; L13-C150 HydrophobicContact CD1-CB 3.87Å; L13-C150 HydrophobicContact CD2-CB 4.31Å; L13-L160 HydrophobicContact CD1-CD2 3.4Å
14L85.1Confident83.2Confident87 Ų8780.6 Ų80.646%0.45542%0.419SS..Hα-helixtrans-59.3-45.5179.1-177.560.8000112G10 Q16 I17 I18G10-L14 PolarHBondContact O-N 3.16Å; G10-L14 VanDerWaalsContact O-N 3.07Å; L14-Q16 VanDerWaalsContact C-N 3.28Å; L14-Q16 PolarHBondContact O-N 3.09Å; L14-I17 PolarHBondContact O-N 3.26Å; L14-I18 HydrophobicContact CD1-CD1 4.09Å; L14-I18 HydrophobicContact CD1-CG1 4.33Å; L14-I18 HydrophobicContact CG-CD1 3.86Å; L14-I18 VanDerWaalsContact O-CG1 3.3Å; L14-I18 WeakPolarHBondContact O-CG1 3.3Å; L14-I18 PolarHBondContact O-N 3.5Å
15S85.3Confident81.8Confident58 Ų5878 Ų7841%0.40642%0.419SS..Hα-helixtrans-60.8-38.5177.9-60.80000112.3K11 L13 K19K11-S15 VanDerWaalsContact O-CB 3.32Å; K11-S15 WeakPolarHBondContact O-CB 3.28Å; K11-S15 PolarHBondContact O-N 3.33Å; K11-S15 PolarHBondContact O-OG 2.96Å; L13-S15 PolarHBondContact O-N 3.16Å; S15-K19 WeakPolarHBondContact O-CB 3.32Å; S15-K19 VanDerWaalsContact O-CG 3.28Å; S15-K19 WeakPolarHBondContact O-CG 3.14Å; S15-K19 PolarHBondContact O-N 3.36Å
16Q86.6Confident80.3Confident54 Ų5477.3 Ų77.325%0.25241%0.407SS..Hα-helixtrans-72.1-38.8179-165.266.817.600111.7L8 H12 L13 L14 K19 L20 L160L8-Q16 HydrophobicContact CD1-CB 3.73Å; L8-Q16 HydrophobicContact CD1-CG 3.72Å; H12-Q16 WeakPolarHBondContact O-CB 3.47Å; H12-Q16 PolarHBondContact O-N 3.41Å; L13-Q16 PolarHBondContact O-N 3.33Å; L14-Q16 VanDerWaalsContact C-N 3.28Å; L14-Q16 PolarHBondContact O-N 3.09Å; Q16-K19 PolarHBondContact O-N 3.34Å; Q16-L20 VanDerWaalsContact O-CB 3.25Å; Q16-L20 WeakPolarHBondContact O-CB 3.34Å; Q16-L20 PolarHBondContact O-N 3.34Å; Q16-L160 HydrophobicContact CG-CD1 4.27Å
17I85.4Confident78.7Confident14 Ų1477.3 Ų77.37%0.07242%0.42CS..Hα-helixtrans-60.9-50.3173.1-66.6164.3000109.2L13 L14 K19 L20 C21 F146 L160 A163 Y167L13-I17 HydrophobicContact CD1-CD1 3.96Å; L13-I17 HydrophobicContact CD1-CG1 4.35Å; L13-I17 HydrophobicContact CG-CD1 3.81Å; L13-I17 VanDerWaalsContact O-CG1 3.29Å; L13-I17 WeakPolarHBondContact O-CG1 3.5Å; L13-I17 PolarHBondContact O-N 3.02Å; L14-I17 PolarHBondContact O-N 3.26Å; I17-K19 VanDerWaalsContact C-N 3.32Å; I17-K19 PolarHBondContact O-N 3.1Å; I17-L20 CarbonylContact O-C 3.58Å; I17-L20 PolarHBondContact O-N 3.12Å; I17-C21 VanDerWaalsContact CG2-SG 3.52Å; I17-C21 PolarHBondContact O-N 3.03Å; I17-C21 PolarHBondContact O-SG 3.26Å; I17-F146 HydrophobicContact CD1-CE1 4.07Å; I17-L160 HydrophobicContact CG1-CD2 4.11Å; I17-A163 HydrophobicContact CD1-CB 3.86Å; I17-A163 HydrophobicContact CG1-CB 4.14Å; I17-A163 HydrophobicContact CG2-CB 4.09Å; I17-Y167 HydrophobicContact CG2-CE2 4.22Å
18I83Confident76.6Confident88 Ų8878.4 Ų78.445%0.45143%0.428SS..Hα-helixtrans-58.4-43178.3-67.5166.4000111.4L14 L20 G22L14-I18 HydrophobicContact CD1-CD1 4.09Å; L14-I18 HydrophobicContact CD1-CG1 4.33Å; L14-I18 HydrophobicContact CG-CD1 3.86Å; L14-I18 VanDerWaalsContact O-CG1 3.3Å; L14-I18 WeakPolarHBondContact O-CG1 3.3Å; L14-I18 PolarHBondContact O-N 3.5Å; I18-L20 VanDerWaalsContact C-N 3.35Å; I18-L20 PolarHBondContact O-N 2.87Å; I18-G22 WeakPolarHBondContact O-CA 3.25Å; I18-G22 PolarHBondContact O-N 3.18Å
19K84.5Confident74.7Confident122 Ų12282 Ų8253%0.5344%0.442SS..Hα-helixtrans-62.1-43.2175.4-75.8175.2-178-176.70111.9S15 Q16 I17 Q23S15-K19 WeakPolarHBondContact O-CB 3.32Å; S15-K19 VanDerWaalsContact O-CG 3.28Å; S15-K19 WeakPolarHBondContact O-CG 3.14Å; S15-K19 PolarHBondContact O-N 3.36Å; Q16-K19 PolarHBondContact O-N 3.34Å; I17-K19 VanDerWaalsContact C-N 3.32Å; I17-K19 PolarHBondContact O-N 3.1Å; K19-Q23 WeakPolarHBondContact O-CB 3.35Å; K19-Q23 WeakPolarHBondContact O-CG 3.4Å; K19-Q23 PolarHBondContact O-N 3.35Å
20L82.7Confident72.7Confident28 Ų2887.4 Ų87.415%0.14746%0.463CS..Hα-helixtrans-70.4-40.7-178.7-167.5140.5000111.7Q16 I17 I18 T24 W26 K157 L160 A161 C164Q16-L20 VanDerWaalsContact O-CB 3.25Å; Q16-L20 WeakPolarHBondContact O-CB 3.34Å; Q16-L20 PolarHBondContact O-N 3.34Å; I17-L20 CarbonylContact O-C 3.58Å; I17-L20 PolarHBondContact O-N 3.12Å; I18-L20 VanDerWaalsContact C-N 3.35Å; I18-L20 PolarHBondContact O-N 2.87Å; L20-T24 WeakPolarHBondContact O-CB 3.49Å; L20-T24 PolarHBondContact O-OG1 3.43Å; L20-W26 HydrophobicContact CD2-CH2 4Å; L20-W26 HydrophobicContact CD2-CZ2 4.23Å; L20-K157 HydrophobicContact CD1-CB 4.26Å; L20-L160 HydrophobicContact CD1-CB 4.29Å; L20-A161 HydrophobicContact CD2-CB 3.88Å; L20-C164 WeakPolarHBondContact CD2-SG 3.46Å
21C80.4Confident70.6Confident14 Ų1491.4 Ų91.410%0.09547%0.469CS..Hα-helixtrans-82.3-29.2179.2-34.90000114.8I17 W26 C164 Y167I17-C21 VanDerWaalsContact CG2-SG 3.52Å; I17-C21 PolarHBondContact O-N 3.03Å; I17-C21 PolarHBondContact O-SG 3.26Å; C21-W26 HydrophobicContact CB-CZ2 4.02Å; C21-W26 PolarHBondContact O-NE1 3.45Å; C21-C164 HydrophobicContact CB-CB 3.75Å; C21-C164 WeakPolarHBondContact CB-SG 3.46Å; C21-C164 WeakPolarHBondContact SG-CA 3.29Å; C21-C164 WeakPolarHBondContact SG-CB 3.25Å; C21-C164 CovalentContact SG-SG 2.02Å; C21-C164 PolarHBondContact SG-SG 2.66Å; C21-Y167 HydrophobicContact CB-CD2 4.39Å; C21-Y167 HydrophobicContact CB-CG 4.45Å
22G70.3Confident68.2Low67 Ų6790.2 Ų90.269%0.69147%0.47SS*.Hα-helixtrans-82-21.1-18000000114.8I18I18-G22 WeakPolarHBondContact O-CA 3.25Å; I18-G22 PolarHBondContact O-N 3.18Å
23Q61.8Low65.9Low168 Ų16893.4 Ų93.479%0.78549%0.485SS*.Hα-helixtrans-106.8-6.8-177.1-68.5-177-21.600114.8K19K19-Q23 WeakPolarHBondContact O-CB 3.35Å; K19-Q23 WeakPolarHBondContact O-CG 3.4Å; K19-Q23 PolarHBondContact O-N 3.35Å
24T57.6Low63.4Low48 Ų48101.7 Ų101.729%0.29452%0.523SS..SBendtrans-105129.8-171.3-48.90000111.3L20 W26 F29L20-T24 WeakPolarHBondContact O-CB 3.49Å; L20-T24 PolarHBondContact O-OG1 3.43Å; T24-W26 PolarHBondContact O-N 2.99Å; T24-W26 PolarHBondContact O-NE1 2.75Å; T24-F29 HydrophobicContact CG2-CD2 4.48Å; T24-F29 HydrophobicContact CG2-CE2 3.96Å
25D54.9Low61.4Low133 Ų133103 Ų10371%0.71154%0.535SS*.  trans-72.1107.6167.3-75.2-40000109.3T27D25-T27 PolarHBondContact O-N 3.26Å; D25-T27 VanDerWaalsContact O-N 3.13Å
26W55.3Low59.3Low65 Ų65105.5 Ų105.525%0.24655%0.553CS.*G310 helixtrans-73-0-169.3-73.694000115.3L20 C21 T24 Q28 F29 A161 C164 V168L20-W26 HydrophobicContact CD2-CH2 4Å; L20-W26 HydrophobicContact CD2-CZ2 4.23Å; C21-W26 HydrophobicContact CB-CZ2 4.02Å; C21-W26 PolarHBondContact O-NE1 3.45Å; T24-W26 PolarHBondContact O-N 2.99Å; T24-W26 PolarHBondContact O-NE1 2.75Å; W26-Q28 PolarHBondContact O-N 2.87Å; W26-F29 HydrophobicContact CE3-CB 4.17Å; W26-F29 HydrophobicContact CE3-CD2 4.07Å; W26-F29 HydrophobicContact CE3-CG 4.42Å; W26-F29 HydrophobicContact CZ3-CB 4.27Å; W26-F29 AromaticContact CZ3-CD2 3.95Å; W26-F29 HydrophobicContact CZ3-CD2 3.95Å; W26-F29 HydrophobicContact CZ3-CG 4.2Å; W26-F29 PolarHBondContact O-N 3.5Å; W26-A161 HydrophobicContact CH2-CB 4.15Å; W26-A161 HydrophobicContact CZ3-CB 4.45Å; W26-C164 HydrophobicContact CH2-CB 3.23Å; W26-C164 WeakPolarHBondContact CH2-SG 2.97Å; W26-C164 HydrophobicContact CZ2-CB 3.38Å; W26-C164 WeakPolarHBondContact CZ2-SG 3.4Å; W26-C164 HydrophobicContact CZ3-CB 3.86Å; W26-V168 HydrophobicContact CD2-CG2 4.26Å; W26-V168 HydrophobicContact CE3-CG2 4.48Å; W26-V168 HydrophobicContact CG-CG2 4.29Å
27T54.5Low56.7Low121 Ų121110.9 Ų110.974%0.74258%0.583SS**G310 helixtrans-68.5-14.5176.254.50000113.1D25D25-T27 PolarHBondContact O-N 3.26Å; D25-T27 VanDerWaalsContact O-N 3.13Å
28Q49.9Very low54.7Low166 Ų166113.9 Ų113.978%0.77662%0.617SS**G310 helixtrans-86.2-16.5178.6-169.8172.9200113.5W26W26-Q28 PolarHBondContact O-N 2.87Å
29F48.8Very low52.1Low100 Ų100118.5 Ų118.544%0.43964%0.636SS.*G310 helixtrans-10623.9-179.5-67.6-83.2000112.6T24 W26 I31T24-F29 HydrophobicContact CG2-CD2 4.48Å; T24-F29 HydrophobicContact CG2-CE2 3.96Å; W26-F29 HydrophobicContact CE3-CB 4.17Å; W26-F29 HydrophobicContact CE3-CD2 4.07Å; W26-F29 HydrophobicContact CE3-CG 4.42Å; W26-F29 HydrophobicContact CZ3-CB 4.27Å; W26-F29 AromaticContact CZ3-CD2 3.95Å; W26-F29 HydrophobicContact CZ3-CD2 3.95Å; W26-F29 HydrophobicContact CZ3-CG 4.2Å; W26-F29 PolarHBondContact O-N 3.5Å; F29-I31 PolarHBondContact O-N 3.07Å
30E46.6Very low49.9Very low167 Ų167118.9 Ų118.978%0.7864%0.643SS**  trans-57.692.6157.1-94.1-179.1165.500107D32E30-D32 PolarHBondContact O-N 3.32Å
31I45Very low47.5Very low141 Ų141123.4 Ų123.472%0.72367%0.674SS**  trans-59.5110.3165.7-74.1166.9000104.1F29 E33F29-I31 PolarHBondContact O-N 3.07Å; I31-E33 HydrophobicContact CG2-CG 4.13Å; I31-E33 PolarHBondContact O-N 2.91Å
32D36.1Very low45.3Very low129 Ų129131.1 Ų131.169%0.6971%0.708SS**  trans-58.777.5170.6-101.4-32.6000109.6E30 Q34E30-D32 PolarHBondContact O-N 3.32Å; D32-Q34 PolarHBondContact O-N 3.41Å; D32-Q34 VanDerWaalsContact O-N 3.14Å
33E40Very low43.6Very low183 Ų183137.3 Ų137.386%0.85572%0.719SS**THydrogen-bonded Turntrans-72.714166.4-92.5-164.2154.500112I31I31-E33 HydrophobicContact CG2-CG 4.13Å; I31-E33 PolarHBondContact O-N 2.91Å
34Q37.3Very low42.1Very low182 Ų182134.4 Ų134.485%0.8572%0.717SS**THydrogen-bonded Turntrans-114.69.6178.6-79.2179.816.600115.2D32D32-Q34 PolarHBondContact O-N 3.41Å; D32-Q34 VanDerWaalsContact O-N 3.14Å
35T43.8Very low41.1Very low114 Ų114136.2 Ų136.270%0.69973%0.732SS**SBendtrans-104.757.8174.6-44.80000112.4
36S40.3Very low39.9Very low111 Ų111138.4 Ų138.478%0.77674%0.737SS**SBendtrans178.377.4148.8610000112.2
37L32.1Very low39.6Very low168 Ų168140.3 Ų140.388%0.8876%0.758SS**SBendtrans-155.4112.2143.8-150.870000108.9H39L37-H39 PolarHBondContact O-N 3.03Å
38G43Very low39Very low77 Ų77140.5 Ų140.579%0.79476%0.761SS**  trans-56.2120.8-171.900000112.8I40G38-I40 PolarHBondContact O-N 2.78Å
39H29.9Very low38.3Very low185 Ų185141.7 Ų141.786%0.85676%0.764SS**  trans-84.9105.3165.6-129.7-74000108.3L37 P41L37-H39 PolarHBondContact O-N 3.03Å; H39-P41 WeakPolarHBondContact O-CD 3.01Å
40I37.2Very low37.5Very low130 Ų130143.1 Ų143.167%0.66778%0.781SS**  trans-62.4124.3167.2-60.5173.4000107.4G38 H42G38-I40 PolarHBondContact O-N 2.78Å; I40-H42 PolarHBondContact O-N 2.77Å
41P33.1Very low36.9Very low123 Ų123143 Ų14380%0.79979%0.785SS**  trans-88.4102.5174.231.3-26.7000109.5H39H39-P41 WeakPolarHBondContact O-CD 3.01Å
42H34Very low36.5Very low175 Ų175145.6 Ų145.681%0.8179%0.791SS**  trans-92.5101158.1-89.7-78.6000108.8I40I40-H42 PolarHBondContact O-N 2.77Å
43Q34.3Very low36.9Very low197 Ų197144.2 Ų144.292%0.92179%0.789SS**  trans-136.1120.6153.5-77.3-164.9-0.900109.8
44S31.1Very low36.5Very low107 Ų107142.8 Ų142.875%0.74878%0.782SS**  trans-98.1122.9-178.2170.80000109.9
45S35.6Very low36.3Very low86 Ų86141.6 Ų141.660%0.60178%0.777SS**  trans60.1128.8139.484.50000118.8
46H30.6Very low35.9Very low180 Ų180143.6 Ų143.683%0.83378%0.782SS**  cis-168.717232.8-100.7-54.7000111.3
47P48.4Very low35.9Very low105 Ų105143.8 Ų143.868%0.68278%0.78SS**  trans-104.1-178.9-162.945.6-38000113.7
48P42Very low35.8Very low125 Ų125140.9 Ų140.981%0.81277%0.774SS**  -145.3164.880.333.6-12.2000117
49K34.8Very low35.2Very low191 Ų191142 Ų14283%0.8377%0.769SS**  trans-51.7148.7177.6-58.3156.8178.7176.10115.1
50T32.5Very low35.5Very low129 Ų129138.6 Ų138.679%0.79177%0.766SS**  -170.7114.6122.110.40000113
51L33.2Very low35.3Very low165 Ų165137 Ų13786%0.86477%0.772SS**  trans60.8110.5134.1-54169.6000121.5
52K37.8Very low35.4Very low196 Ų196143.1 Ų143.185%0.85278%0.78SS**  trans-65.1163.5149.7-111.2-171.7-179.2-1710109.9
53P43.1Very low35.3Very low100 Ų100146.2 Ų146.265%0.64979%0.785SS**  -158.8162.965.940.6-18.1000119.6
54E33.2Very low35.4Very low153 Ų153145.6 Ų145.672%0.71578%0.779SS**  trans64.6154.4139.5-74.1177.8124.600120.1
55Q32Very low35.4Very low156 Ų156149.8 Ų149.873%0.72978%0.784SS**  cis-162.7145.33.8-111.5162.143.400106.2
56I35.8Very low35.5Very low157 Ų157150.3 Ų150.381%0.80578%0.783SS**  trans-76.7154.2164.5-52.1162.2000105.6
57P39.7Very low35.9Very low115 Ų115149.5 Ų149.575%0.74778%0.78SS**  cis-162.5168.649.547.2-23.9000121.6
58S31Very low35.6Very low107 Ų107150.6 Ų150.675%0.74879%0.787SS**  trans77.4131.6135.8-143.40000124.5
59S30Very low35.2Very low99 Ų99151.1 Ų151.169%0.69279%0.787SS**  trans93.2108.5134.473.80000121.1
60S35.9Very low36Very low114 Ų114147.8 Ų147.880%0.79779%0.785SS**  trans49.6113.513066.10000119.9
61A33.4Very low36.1Very low96 Ų96146.1 Ų146.179%0.79378%0.784SS**  trans-159.8107.9132.700000111.1R63A61-R63 PolarHBondContact O-N 3.29Å
62W35.7Very low36.2Very low253 Ų253143.3 Ų143.396%0.95878%0.779SS**  trans-51.3118153.9-124-36.4000108.8
63R31.5Very low36.2Very low240 Ų240139.9 Ų139.991%0.90677%0.774SS**  trans-151.6109.9151.6-148177.5-94-163.1-3.4110.6A61A61-R63 PolarHBondContact O-N 3.29Å
64K36.3Very low36.2Very low184 Ų184140.9 Ų140.980%0.878%0.784SS**  trans-54.8139.5170-67.6172.3176.41780110
65F30.4Very low36.4Very low195 Ų195142.3 Ų142.386%0.85579%0.791SS**  trans-146.9139.3140-135.5-98.2000110.4
66T39.3Very low36.7Very low96 Ų96143 Ų14359%0.58979%0.794SS**  trans-60.9142.6-175.5370000113.8
67H37.9Very low37.1Very low163 Ų163143.8 Ų143.876%0.75579%0.791SS**  172.8136.6116.5-78.7-55.5000109.9
68P43Very low37Very low128 Ų128143.7 Ų143.783%0.83179%0.788SS**  trans-83.7136.5-179.832.8-30.2000111.2
69V33.5Very low37.6Very low136 Ų136144 Ų14482%0.82478%0.78SS**  trans-112.4137.3171.3172.30000108.2
70P50.7Low38Very low121 Ų121145.8 Ų145.879%0.78678%0.782SS**  trans-92137-167.935.5-30.9000111.9
71A35.5Very low38.5Very low94 Ų94146 Ų14678%0.77778%0.779SS**  trans-167.1119.8155.100000109.4
72S35.2Very low38.8Very low107 Ų107151.8 Ų151.875%0.74878%0.78SS**  164.9112.4118.650.20000111
73T38.2Very low38.9Very low123 Ų123147.9 Ų147.976%0.75577%0.773SS**  trans49.4102.6134.156.80000118.3Q75T73-Q75 PolarHBondContact O-N 2.63Å
74S42.5Very low39.6Very low121 Ų121139.7 Ų139.785%0.84676%0.763SS**  trans-53.3112.2150.31670000109.9
75Q37.8Very low39.9Very low184 Ų184138.6 Ų138.686%0.8676%0.76SS**  trans-91.4114.2160.1-80.9-169.7-20.100108.6T73T73-Q75 PolarHBondContact O-N 2.63Å
76E38Very low40.7Very low170 Ų170134.3 Ų134.379%0.79475%0.752SS**  trans-63.2130.6167.9-169.7166.213000109.7V78E76-V78 PolarHBondContact O-N 2.02Å; E76-V78 VanDerWaalsContact O-N 3.14Å
77K43.9Very low41.2Very low174 Ų174136 Ų13676%0.75776%0.762SS**  trans-70.698.4-179.4-177.3-168.8-175.6-164.10109.6I79K77-I79 HydrophobicContact CD-CD1 4.24Å; K77-I79 HydrophobicContact CD-CG1 4.13Å; K77-I79 HydrophobicContact CG-CG1 3.95Å
78V37.9Very low41.3Very low113 Ų113133.5 Ų133.569%0.68576%0.76SS**  trans-88.6107.7165.2-167.80000108.2E76 N80E76-V78 PolarHBondContact O-N 2.02Å; E76-V78 VanDerWaalsContact O-N 3.14Å; V78-N80 WeakPolarHBondContact CG1-OD1 3.21Å; V78-N80 PolarHBondContact O-N 3.13Å
79I42.3Very low41Very low113 Ų113134.1 Ų134.158%0.57976%0.757SS**  trans-81.1100174.5-52171.3000106.2K77 T81K77-I79 HydrophobicContact CD-CD1 4.24Å; K77-I79 HydrophobicContact CD-CG1 4.13Å; K77-I79 HydrophobicContact CG-CG1 3.95Å; I79-T81 VanDerWaalsContact C-N 3.32Å; I79-T81 PolarHBondContact O-N 3.25Å; I79-T81 VanDerWaalsContact O-N 3.09Å
80N38.6Very low41.1Very low136 Ų136137.5 Ų137.573%0.72776%0.756SS**  trans-8386.3172.6-584.4000107.7V78 W82V78-N80 WeakPolarHBondContact CG1-OD1 3.21Å; V78-N80 PolarHBondContact O-N 3.13Å; N80-W82 VanDerWaalsContact C-N 3.3Å; N80-W82 PolarHBondContact O-N 3.1Å
81T47.8Very low40.4Very low119 Ų119139.8 Ų139.873%0.7376%0.756SS**  trans-66.491.6164.3-46.20000107.3I79 E83I79-T81 VanDerWaalsContact C-N 3.32Å; I79-T81 PolarHBondContact O-N 3.25Å; I79-T81 VanDerWaalsContact O-N 3.09Å; T81-E83 VanDerWaalsContact C-N 3.32Å; T81-E83 PolarHBondContact O-N 3.34Å; T81-E83 VanDerWaalsContact O-N 3.1Å
82W39.5Very low40.5Very low218 Ų218143 Ų14383%0.82675%0.753SS**  trans-80.289.9169.4-169-103000108N80 G84N80-W82 VanDerWaalsContact C-N 3.3Å; N80-W82 PolarHBondContact O-N 3.1Å; W82-G84 PolarHBondContact O-N 3.27Å
83E38Very low40.5Very low171 Ų171146.1 Ų146.180%0.79976%0.756SS**  trans-53.3123.1168.1-159.1163.7-151.200108.7T81 Q85T81-E83 VanDerWaalsContact C-N 3.32Å; T81-E83 PolarHBondContact O-N 3.34Å; T81-E83 VanDerWaalsContact O-N 3.1Å; E83-Q85 PolarHBondContact O-N 2.9Å
84G45.1Very low40.6Very low67 Ų67146.3 Ų146.369%0.69175%0.752SS**  trans-61.3106.3-172.900000111.4W82W82-G84 PolarHBondContact O-N 3.27Å
85Q41.9Very low40.3Very low161 Ų161145.6 Ų145.675%0.75274%0.743SS**PPolyproline II helixtrans-62.2129.2163.8-91.6-83.8-74.900108.9E83E83-Q85 PolarHBondContact O-N 2.9Å
86P47.5Very low40.3Very low105 Ų105143.4 Ų143.468%0.68274%0.737SS**PPolyproline II helixtrans-67.8148.6-17226.4-32.9000111.6
87V49.7Very low40.3Very low131 Ų131141 Ų14179%0.79473%0.734SS**PPolyproline II helixtrans-50.6129.2170.8-179.30000108.6D89V87-D89 PolarHBondContact O-N 3.04Å; V87-D89 VanDerWaalsContact O-N 3.16Å
88P41.1Very low40.4Very low111 Ų111139 Ų13972%0.72174%0.736SS**PPolyproline II helixtrans-62.9121.4176.523.9-30.8000109.1Y90P88-Y90 PolarHBondContact O-N 3.17Å
89D35.3Very low40.6Very low142 Ų142139.1 Ų139.176%0.75974%0.739SS**  trans-72.694.6177.9-165.314.1000108.8V87 Q91V87-D89 PolarHBondContact O-N 3.04Å; V87-D89 VanDerWaalsContact O-N 3.16Å; D89-Q91 PolarHBondContact O-N 3.24Å
90Y37.5Very low40.2Very low206 Ų206141.1 Ų141.181%0.80875%0.746SS**  trans-84.197.8177-141.6-89.5000107.8P88 F92P88-Y90 PolarHBondContact O-N 3.17Å; Y90-F92 PolarHBondContact O-N 3.35Å
91Q35.5Very low40.4Very low169 Ų169141.4 Ų141.479%0.7975%0.747SS**  trans-71.1103.2171.9-67.3-142.59.400109.6D89 E93D89-Q91 PolarHBondContact O-N 3.24Å; Q91-E93 PolarHBondContact O-N 3.07Å
92F37.6Very low39.7Very low161 Ų161142.8 Ų142.871%0.70676%0.756SS**  trans-81.8103.2170.1-177.7-105.5000108.5Y90 N94Y90-F92 PolarHBondContact O-N 3.35Å; F92-N94 HydrophobicContact CD1-CB 3.9Å; F92-N94 HydrophobicContact CE1-CB 3.88Å; F92-N94 VanDerWaalsContact CE1-OD1 3.23Å; F92-N94 WeakPolarHBondContact CE1-OD1 3.32Å; F92-N94 PolarHBondContact O-N 3.22Å; F92-N94 VanDerWaalsContact O-N 3.09Å
93E34.6Very low39.8Very low173 Ų173142.5 Ų142.581%0.80875%0.754SS**  trans-73101173.5-160173.6-165.800109.1Q91 T95Q91-E93 PolarHBondContact O-N 3.07Å; E93-T95 PolarHBondContact O-N 3.41Å
94N40.9Very low39.5Very low128 Ų128143.5 Ų143.568%0.68476%0.756SS**  trans-9283.6-177-156.428.2000109.6F92 N96F92-N94 HydrophobicContact CD1-CB 3.9Å; F92-N94 HydrophobicContact CE1-CB 3.88Å; F92-N94 VanDerWaalsContact CE1-OD1 3.23Å; F92-N94 WeakPolarHBondContact CE1-OD1 3.32Å; F92-N94 PolarHBondContact O-N 3.22Å; F92-N94 VanDerWaalsContact O-N 3.09Å; N94-N96 PolarHBondContact O-N 2.94Å
95T34.7Very low39.4Very low106 Ų106149.6 Ų149.665%0.6576%0.764SS**  trans-87.7109.2172.2170000111.9E93E93-T95 PolarHBondContact O-N 3.41Å
96N39Very low38.8Very low137 Ų137147.4 Ų147.473%0.73377%0.767SS**  trans94.577.4151.8-50.8-47.5000118.1N94N94-N96 PolarHBondContact O-N 2.94Å
97V37.2Very low38.4Very low120 Ų120146.9 Ų146.973%0.72777%0.765SS**  20110.5115-173.90000115.8
98V47.2Very low37.9Very low133 Ų133149.5 Ų149.581%0.80677%0.768SS**  trans-71.2138.1152.2170.20000108.6
99P41Very low37.4Very low115 Ų115151.8 Ų151.875%0.74778%0.775SS**  trans-120.9117.5144.923.1-5.9000111.6
100E33.7Very low37.6Very low155 Ų155149.4 Ų149.472%0.72478%0.775SS**  trans-26.7129.8150-165.1171.1-174.300115.6
101N44.1Very low37.5Very low142 Ų142147.3 Ų147.376%0.75978%0.777SS**  trans33.9108.3145.1-50-21.4000119.1
102T32.8Very low38.2Very low147 Ų147144.2 Ų144.290%0.90277%0.772SS**  trans-150.8123.3142.7-17.10000113.9
103R41.5Very low37.9Very low212 Ų212146.4 Ų146.480%0.878%0.777SS**  trans-72.3135.3172.5-178.6-171-163.2-177.85110.7
104K32Very low38.7Very low192 Ų192143.5 Ų143.584%0.83577%0.774SS**  trans164.4153.5131.7-87.4165.2-173.7-175.50113
105F41.8Very low38.3Very low196 Ų196140.5 Ų140.586%0.8677%0.773SS**  trans-86.8159.7-160.4-58.3-99000115.8
106S31.1Very low39Very low115 Ų115141.5 Ų141.580%0.80478%0.779SS**  trans-174.3113150.9-1490000108.3
107S39.2Very low39.3Very low93 Ų93141.4 Ų141.465%0.6578%0.783SS**  100.8106.963.972.40000114
108H37.3Very low39.4Very low186 Ų186144.6 Ų144.686%0.86179%0.787SS**  trans37.5123.9148.6-61.1-74.1000124.1
109D31.1Very low39.5Very low159 Ų159146.7 Ų146.785%0.8579%0.792SS**  179.1108.7115.4-105.9-22.2000109.1
110A40.5Very low39.6Very low93 Ų93149.6 Ų149.677%0.76980%0.796SS**  93.9101.372.500000114.7
111N35.1Very low40.4Very low161 Ų161152 Ų15286%0.86180%0.804SS**  trans-165.9138.1130.7-161.618.4000111
112P50Low40.4Very low105 Ų105153.9 Ų153.968%0.68281%0.806SS**  trans-112145.4-169.735-19.4000116.3
113Y31.8Very low41.4Very low206 Ų206151.5 Ų151.581%0.80880%0.795SS**  trans71.6165.9146.1-120.1-118.5000120.3
114P51.8Low41.5Very low113 Ų113146.5 Ų146.573%0.73479%0.788SS**  cis-121.3164-162.922.2000114
115G30.8Very low42.7Very low65 Ų65145 Ų14567%0.6779%0.789SS**  trans174.277159.900000115.4V117G115-V117 PolarHBondContact O-N 3.43Å; G115-V117 VanDerWaalsContact O-N 3.17Å
116V49.4Very low43.1Very low127 Ų127144.1 Ų144.177%0.7779%0.785SS**  trans-63.2111.2170.11780000109.2
117V45.8Very low44.3Very low135 Ų135146 Ų14682%0.81879%0.785SS**  trans-122.7114.2162.7-171.50000108.7G115 L119G115-V117 PolarHBondContact O-N 3.43Å; G115-V117 VanDerWaalsContact O-N 3.17Å; V117-L119 PolarHBondContact O-N 3.31Å
118K40Very low45.1Very low186 Ų186148.8 Ų148.881%0.80979%0.792SS**  trans-51.9122.5-177.4-71.1168.6175.5174.40111.5Q120K118-Q120 PolarHBondContact O-N 2.93Å
119L49.2Very low46Very low177 Ų177144.8 Ų144.893%0.92778%0.781SS**  trans-67.798.6164-159.681.1000108.2V117 K121V117-L119 PolarHBondContact O-N 3.31Å; L119-K121 PolarHBondContact O-N 3.14Å
120Q42.5Very low47.2Very low176 Ų176145.5 Ų145.582%0.82278%0.779SS**  trans-70.6110.5170.2-91.3-158.7200109.5K118 K122K118-Q120 PolarHBondContact O-N 2.93Å; Q120-K122 PolarHBondContact O-N 3.37Å; Q120-K122 VanDerWaalsContact O-N 3.11Å
121K50.7Low47.7Very low206 Ų206146.8 Ų146.890%0.89678%0.782SS**  trans-64.7100.5163.9-172178-176.6-1800108.4L119L119-K121 PolarHBondContact O-N 3.14Å
122K43.4Very low48.6Very low182 Ų182143.6 Ų143.679%0.79177%0.772SS**  trans-100.798.2168.8-157171-174.8-178.50108.6Q120Q120-K122 PolarHBondContact O-N 3.37Å; Q120-K122 VanDerWaalsContact O-N 3.11Å
123S55.1Low48.8Very low96 Ų96145.4 Ų145.467%0.67178%0.776SS**  trans-64.8126.4165.654.40000109.1
124T43.3Very low49.6Very low108 Ų108144 Ų14466%0.66377%0.774SS**  trans-142.391.1156-58.30000106.6K126T124-K126 VanDerWaalsContact C-N 3.29Å; T124-K126 HydrophobicContact CG2-CB 4.15Å; T124-K126 PolarHBondContact O-N 3.17Å
125D56.3Low49.3Very low160 Ų160141.7 Ų141.786%0.85677%0.771SS**  trans-59.597.4158.6-66.4-53.9000107.7
126K51.5Low49.8Very low177 Ų177148.6 Ų148.677%0.7778%0.777SS**  trans-140.972.2163.1-153.4176.8-176.4-176.30109.1T124 N128T124-K126 VanDerWaalsContact C-N 3.29Å; T124-K126 HydrophobicContact CG2-CB 4.15Å; T124-K126 PolarHBondContact O-N 3.17Å; K126-N128 PolarHBondContact O-N 2.92Å
127I55.8Low49.8Very low156 Ų156151.8 Ų151.880%0.878%0.78SS**  trans19.290144.5-17.9175.2000113.3T129I127-T129 PolarHBondContact O-N 3.47Å
128N55.5Low50Low150 Ų150150.6 Ų150.680%0.80277%0.766SS**  trans-55.6128.7150.2-64-44.4000107K126K126-N128 PolarHBondContact O-N 2.92Å
129T56.2Low50.8Low102 Ų102145.9 Ų145.963%0.62675%0.754SS**  trans154.189.2145.2-65.70000111.3I127I127-T129 PolarHBondContact O-N 3.47Å
130H55.7Low50.8Low175 Ų175143.8 Ų143.881%0.8174%0.74SS**  trans-134.522.5153.1-45.1-59.7000112.4S132H130-S132 VanDerWaalsContact C-N 3.28Å; H130-S132 PolarHBondContact O-N 3.22Å
131S51Low51.1Low120 Ų120144.9 Ų144.984%0.83974%0.736SS**THydrogen-bonded Turntrans-90.125.8176.7590000113.6
132S54.1Low51.2Low94 Ų94141.8 Ų141.866%0.65773%0.725SS**THydrogen-bonded Turntrans-92.30.2-179.362.30000115.2H130H130-S132 VanDerWaalsContact C-N 3.28Å; H130-S132 PolarHBondContact O-N 3.22Å
133L53.9Low51.6Low143 Ų143140.3 Ų140.375%0.74972%0.721SS**THydrogen-bonded Turntrans-89.6-2.8-169.4-73.7169.3000116.3
134F49.3Very low51.6Low175 Ų175146.1 Ų146.177%0.76873%0.728SS**THydrogen-bonded Turntrans-129.351.5176.4-62.7-76.3000112.8R136F134-R136 PolarHBondContact O-N 2.73Å
135G45.9Very low53Low66 Ų66142 Ų14268%0.6871%0.708SS**  trans-72.144.915900000112.3K137G135-K137 PolarHBondContact O-N 2.71Å
136R42Very low54.3Low209 Ų209136.8 Ų136.879%0.78968%0.677SS**  trans-61.8124.3170.8-82.6-170.2176.6-160.5-0107.4F134 H138F134-R136 PolarHBondContact O-N 2.73Å; R136-H138 PolarHBondContact O-N 3.04Å
137K48.6Very low56Low194 Ų194131 Ų13184%0.84366%0.659SS**  trans-64.479.6172.6-62.4-172.9179.9-173.40109G135 P139G135-K137 PolarHBondContact O-N 2.71Å; K137-P139 WeakPolarHBondContact O-CD 3.44Å
138H51Low57.5Low110 Ų110127.9 Ų127.951%0.50964%0.644SS.*  trans-80120.2170.6-149.7-81.7000106.6R136 Q140 R141R136-H138 PolarHBondContact O-N 3.04Å; H138-Q140 PolarHBondContact CE1-OE1 3.24Å; H138-Q140 WeakPolarHBondContact ND1-CB 3.29Å; H138-Q140 PolarHBondContact O-N 3.14Å; H138-R141 PolarHBondContact O-N 3.42Å
139P55.2Low59.1Low88 Ų88124.9 Ų124.957%0.57162%0.624SS**Hα-helixtrans-56.4-25.5-179.618.3-29.3000112.3K137 R141 E142 Q143K137-P139 WeakPolarHBondContact O-CD 3.44Å; P139-R141 VanDerWaalsContact C-N 3.3Å; P139-R141 PolarHBondContact O-N 3.4Å; P139-E142 WeakPolarHBondContact O-CB 3.39Å; P139-E142 PolarHBondContact O-N 3.38Å; P139-Q143 PolarHBondContact O-N 3.26Å; P139-Q143 VanDerWaalsContact O-N 3.11Å
140Q49.6Very low60.7Low133 Ų133120 Ų12062%0.62159%0.594SS**Hα-helixtrans-65.1-25.4173.5-155.1172.821.400114.4H138H138-Q140 PolarHBondContact CE1-OE1 3.24Å; H138-Q140 WeakPolarHBondContact ND1-CB 3.29Å; H138-Q140 PolarHBondContact O-N 3.14Å
141R48.4Very low62.4Low198 Ų198113.7 Ų113.775%0.74757%0.569SS**Hα-helixtrans-84.8-21.7174.7-151.2179.8-170.7-163.92.9112H138 P139H138-R141 PolarHBondContact O-N 3.42Å; P139-R141 VanDerWaalsContact C-N 3.3Å; P139-R141 PolarHBondContact O-N 3.4Å
142E53.5Low64.1Low142 Ų142113.9 Ų113.966%0.66456%0.56SS**Hα-helixtrans-73.5-37.1168.3-76.3178.4151.900111.7P139 R144 G145P139-E142 WeakPolarHBondContact O-CB 3.39Å; P139-E142 PolarHBondContact O-N 3.38Å; E142-R144 VanDerWaalsContact C-N 3.3Å; E142-R144 PolarHBondContact O-N 3.46Å; E142-G145 PolarHBondContact O-N 3.37Å
143Q52Low65.9Low150 Ų150117.3 Ų117.370%0.70156%0.563SS**Hα-helixtrans-66.2-27.2176.8-83.1-173.5-5.500114.2P139 G145 F146P139-Q143 PolarHBondContact O-N 3.26Å; P139-Q143 VanDerWaalsContact O-N 3.11Å; Q143-G145 PolarHBondContact O-N 3.28Å; Q143-F146 PolarHBondContact O-N 3.37Å; Q143-F146 VanDerWaalsContact O-N 3.17Å
144R55.9Low67.6Low218 Ų218110.7 Ų110.782%0.82353%0.53SS*.THydrogen-bonded Turntrans-59.5-9176.5-101.5-174-162.3-122.31.6114.3E142E142-R144 VanDerWaalsContact C-N 3.3Å; E142-R144 PolarHBondContact O-N 3.46Å
145G72.8Confident69.6Low23 Ų23102.4 Ų102.424%0.23749%0.493CS..THydrogen-bonded Turntrans-133.621.2176.300000113.9E142 Q143 D148 K149E142-G145 PolarHBondContact O-N 3.37Å; Q143-G145 PolarHBondContact O-N 3.28Å; G145-D148 PolarHBondContact O-N 3.48Å; G145-K149 WeakPolarHBondContact O-CA 3.38Å; G145-K149 WeakPolarHBondContact O-CB 3.3Å; G145-K149 PolarHBondContact O-N 2.96Å
146F83.1Confident71.7Confident49 Ų49100.6 Ų100.622%0.21547%0.469CS..Hα-helixtrans-61.8-49.9178.2177.5-98.9000111.2L13 I17 Q143 D148 K149 C150 E159 L160 A163L13-F146 HydrophobicContact CD1-CE1 4.39Å; I17-F146 HydrophobicContact CD1-CE1 4.07Å; Q143-F146 PolarHBondContact O-N 3.37Å; Q143-F146 VanDerWaalsContact O-N 3.17Å; F146-D148 VanDerWaalsContact C-N 3.34Å; F146-D148 PolarHBondContact O-N 3.32Å; F146-K149 PolarHBondContact O-N 2.03Å; F146-C150 PolarHBondContact O-N 2.98Å; F146-C150 PolarHBondContact O-SG 3.41Å; F146-E159 VanDerWaalsContact CE2-O 3.29Å; F146-E159 WeakPolarHBondContact CE2-O 3Å; F146-L160 HydrophobicContact CZ-CD2 4.23Å; F146-A163 HydrophobicContact CD1-CB 4.46Å; F146-A163 HydrophobicContact CE1-CB 3.7Å; F146-A163 HydrophobicContact CZ-CB 3.85Å
147S86.1Confident73.8Confident56 Ų5696.3 Ų96.339%0.39246%0.456SS..Hα-helixtrans-60.3-43.717452.80000112.4C150 C151S147-C150 PolarHBondContact O-N 3.48Å; S147-C151 VanDerWaalsContact O-CB 3.25Å; S147-C151 WeakPolarHBondContact O-CB 3.49Å; S147-C151 PolarHBondContact O-N 2.93Å
148D88.4Confident75.5Confident91 Ų9191.8 Ų91.849%0.48744%0.438SS..Hα-helixtrans-72.7-35.7-175.4-62.3-7.9000111.3G145 F146 C151 L152G145-D148 PolarHBondContact O-N 3.48Å; F146-D148 VanDerWaalsContact C-N 3.34Å; F146-D148 PolarHBondContact O-N 3.32Å; D148-C151 PolarHBondContact O-N 3.35Å; D148-L152 VanDerWaalsContact O-CB 3.29Å; D148-L152 WeakPolarHBondContact O-CB 3.25Å; D148-L152 VanDerWaalsContact O-CG 3.26Å; D148-L152 WeakPolarHBondContact O-CG 3.38Å; D148-L152 PolarHBondContact O-N 3.11Å
149K88.6Confident77.2Confident87 Ų8789.5 Ų89.538%0.37843%0.428SS..Hα-helixtrans-62.1-51.6171.1179.1-167168.8-167.80109.7G145 F146 C151 L152 K153 G154 E159G145-K149 WeakPolarHBondContact O-CA 3.38Å; G145-K149 WeakPolarHBondContact O-CB 3.3Å; G145-K149 PolarHBondContact O-N 2.96Å; F146-K149 PolarHBondContact O-N 2.03Å; K149-C151 PolarHBondContact O-N 3.17Å; K149-L152 PolarHBondContact O-N 3.19Å; K149-K153 WeakPolarHBondContact O-CA 3.45Å; K149-K153 WeakPolarHBondContact O-CB 3.46Å; K149-K153 PolarHBondContact O-N 3.45Å; K149-G154 PolarHBondContact O-N 2.83Å; K149-G154 VanDerWaalsContact O-N 3.08Å; K149-E159 IonicContact NZ-OE1 2.66Å; K149-E159 PolarHBondContact NZ-OE1 3.08Å; K149-E159 IonicContact NZ-OE2 3.87Å
150C89.9Confident78.7Confident0 Ų085.6 Ų85.60%040%0.402CS..Hα-helixtrans-64.3-28.5178.8-63.70000112.5K7 L8 L13 F146 S147 G154 C155K7-C150 VanDerWaalsContact CA-O 3.32Å; K7-C150 WeakPolarHBondContact CA-O 3.5Å; L8-C150 PolarHBondContact N-O 3.43Å; L8-C150 CarbonylContact O-C 3.27Å; L8-C150 VanDerWaalsContact O-C 3.27Å; L13-C150 HydrophobicContact CD1-CB 3.87Å; L13-C150 HydrophobicContact CD2-CB 4.31Å; F146-C150 PolarHBondContact O-N 2.98Å; F146-C150 PolarHBondContact O-SG 3.41Å; S147-C150 PolarHBondContact O-N 3.48Å; C150-G154 VanDerWaalsContact O-CA 3.26Å; C150-G154 WeakPolarHBondContact O-CA 3.49Å; C150-G154 PolarHBondContact O-N 3.01Å; C150-C155 WeakPolarHBondContact CA-SG 3.04Å; C150-C155 HydrophobicContact CB-CB 3.84Å; C150-C155 WeakPolarHBondContact CB-SG 3.4Å; C150-C155 WeakPolarHBondContact SG-CB 3.31Å; C150-C155 CovalentContact SG-SG 2.03Å; C150-C155 PolarHBondContact SG-SG 3.45Å
151C90.3Very high80.3Confident42 Ų4279.8 Ų79.828%0.28438%0.377SS..Hα-helixtrans-77.9-46.5177.6-172.20000112.6L8 C9 S147 D148 K149L8-C151 WeakPolarHBondContact O-CA 3.36Å; L8-C151 PolarHBondContact O-N 3.33Å; C9-C151 HydrophobicContact CB-CB 3.8Å; C9-C151 WeakPolarHBondContact CB-SG 3.44Å; C9-C151 WeakPolarHBondContact SG-CA 3.04Å; C9-C151 WeakPolarHBondContact SG-CB 3.05Å; C9-C151 CovalentContact SG-SG 2.03Å; C9-C151 PolarHBondContact SG-SG 3.37Å; S147-C151 VanDerWaalsContact O-CB 3.25Å; S147-C151 WeakPolarHBondContact O-CB 3.49Å; S147-C151 PolarHBondContact O-N 2.93Å; D148-C151 PolarHBondContact O-N 3.35Å; K149-C151 PolarHBondContact O-N 3.17Å
152L88.4Confident82Confident123 Ų12374.8 Ų74.864%0.64437%0.368SS*.Hα-helixtrans-83.9-47.9-173.7-64.1172.4000112.6K7 D148 K149K7-L152 VanDerWaalsContact CE-O 3.32Å; K7-L152 WeakPolarHBondContact CE-O 3.46Å; K7-L152 PolarHBondContact NZ-O 3.35Å; D148-L152 VanDerWaalsContact O-CB 3.29Å; D148-L152 WeakPolarHBondContact O-CB 3.25Å; D148-L152 VanDerWaalsContact O-CG 3.26Å; D148-L152 WeakPolarHBondContact O-CG 3.38Å; D148-L152 PolarHBondContact O-N 3.11Å; K149-L152 PolarHBondContact O-N 3.19Å
153K90.6Very high83.4Confident167 Ų16769 Ų6973%0.72635%0.345SS*.THydrogen-bonded Turntrans-98.2-28.6-175.5-64-175.5179.2-179.20112.5K149K149-K153 WeakPolarHBondContact O-CA 3.45Å; K149-K153 WeakPolarHBondContact O-CB 3.46Å; K149-K153 PolarHBondContact O-N 3.45Å
154G90.6Very high84.8Confident4 Ų461.9 Ų61.94%0.04131%0.311CS..  trans91156.9-172.200000111.8R6 K149 C150R6-G154 CarbonylContact O-C 3.6Å; R6-G154 VanDerWaalsContact O-CA 3.27Å; R6-G154 WeakPolarHBondContact O-CA 3.29Å; K149-G154 PolarHBondContact O-N 2.83Å; K149-G154 VanDerWaalsContact O-N 3.08Å; C150-G154 VanDerWaalsContact O-CA 3.26Å; C150-G154 WeakPolarHBondContact O-CA 3.49Å; C150-G154 PolarHBondContact O-N 3.01Å
155C90.2Very high85.4Confident1 Ų156.7 Ų56.71%0.00730%0.299CS..BIsolated β-bridgetrans-128.9145.6179.6-740000111.5P5 R6 C150 E159 L160P5-C155 WeakPolarHBondContact CA-O 3.23Å; R6-C155 PolarHBondContact N-O 3.12Å; R6-C155 PolarHBondContact O-N 2.91Å; C150-C155 WeakPolarHBondContact CA-SG 3.04Å; C150-C155 HydrophobicContact CB-CB 3.84Å; C150-C155 WeakPolarHBondContact CB-SG 3.4Å; C150-C155 WeakPolarHBondContact SG-CB 3.31Å; C150-C155 CovalentContact SG-SG 2.03Å; C150-C155 PolarHBondContact SG-SG 3.45Å; C155-E159 VanDerWaalsContact CA-OE2 3.29Å; C155-E159 WeakPolarHBondContact CA-OE2 3.25Å; C155-E159 HydrophobicContact CB-CB 4.24Å; C155-L160 HydrophobicContact CB-CD2 4.33Å; C155-L160 HydrophobicContact CB-CG 3.99Å
156T90.1Very high84.9Confident28 Ų2860 Ų6017%0.17232%0.317CS..  trans-80.9172.3168.975.50000111N3 P5 E158 E159 L160N3-T156 WeakPolarHBondContact OD1-CB 3.18Å; N3-T156 WeakPolarHBondContact OD1-CG2 3.37Å; P5-T156 HydrophobicContact CB-CG2 4.27Å; T156-E158 VanDerWaalsContact C-N 3.29Å; T156-E158 WeakPolarHBondContact CB-OE2 3.48Å; T156-E158 PolarHBondContact O-N 3.01Å; T156-E158 PolarHBondContact OG1-OE2 2.85Å; T156-E159 PolarHBondContact N-OE2 3.3Å; T156-E159 PolarHBondContact O-N 3.44Å; T156-E159 PolarHBondContact OG1-N 2.03Å; T156-L160 WeakPolarHBondContact O-CB 3.34Å; T156-L160 WeakPolarHBondContact O-CD1 3.32Å; T156-L160 VanDerWaalsContact O-CG 3.31Å; T156-L160 WeakPolarHBondContact O-CG 3.27Å; T156-L160 PolarHBondContact O-N 3.35Å
157K86.8Confident83.5Confident119 Ų11963.1 Ų63.152%0.51733%0.328SS..Hα-helixtrans-65.3-36.1179.8-71.8-173.8179.7-175.20111.9L20 L160 A161L20-K157 HydrophobicContact CD1-CB 4.26Å; K157-L160 WeakPolarHBondContact O-CB 3.26Å; K157-L160 PolarHBondContact O-N 2.87Å; K157-A161 PolarHBondContact O-N 2.93Å
158E84.6Confident82Confident99 Ų9962.9 Ų62.946%0.46332%0.324SS..Hα-helixtrans-69.8-41.3179.6-54.672-154.300110.3N3 T156 L160 A161N3-E158 PolarHBondContact OD1-OE2 3.14Å; T156-E158 VanDerWaalsContact C-N 3.29Å; T156-E158 WeakPolarHBondContact CB-OE2 3.48Å; T156-E158 PolarHBondContact O-N 3.01Å; T156-E158 PolarHBondContact OG1-OE2 2.85Å; E158-L160 VanDerWaalsContact C-N 3.32Å; E158-L160 PolarHBondContact O-N 2.97Å; E158-A161 WeakPolarHBondContact O-CB 3.41Å; E158-A161 PolarHBondContact O-N 3.4Å
159E86.5Confident80.1Confident62 Ų6263.6 Ų63.629%0.2933%0.328SS..Hα-helixtrans-64.5-38.1172.6-66.2-177.7132.700111.6F146 K149 C155 T156 A161 V162F146-E159 VanDerWaalsContact CE2-O 3.29Å; F146-E159 WeakPolarHBondContact CE2-O 3Å; K149-E159 IonicContact NZ-OE1 2.66Å; K149-E159 PolarHBondContact NZ-OE1 3.08Å; K149-E159 IonicContact NZ-OE2 3.87Å; C155-E159 VanDerWaalsContact CA-OE2 3.29Å; C155-E159 WeakPolarHBondContact CA-OE2 3.25Å; C155-E159 HydrophobicContact CB-CB 4.24Å; T156-E159 PolarHBondContact N-OE2 3.3Å; T156-E159 PolarHBondContact O-N 3.44Å; T156-E159 PolarHBondContact OG1-N 2.03Å; E159-A161 VanDerWaalsContact C-N 3.29Å; E159-A161 PolarHBondContact O-N 3.23Å; E159-V162 PolarHBondContact O-N 3.36Å
160L86.8Confident78.1Confident5 Ų567.3 Ų67.33%0.02634%0.344CS..Hα-helixtrans-64.8-31.9173.2-74.6162.9000112.8L8 L13 Q16 I17 L20 F146 C155 T156 K157 E158 V162 A163L8-L160 HydrophobicContact CD1-CD1 3.91Å; L8-L160 HydrophobicContact CD1-CD2 4.35Å; L13-L160 HydrophobicContact CD1-CD2 3.4Å; Q16-L160 HydrophobicContact CG-CD1 4.27Å; I17-L160 HydrophobicContact CG1-CD2 4.11Å; L20-L160 HydrophobicContact CD1-CB 4.29Å; F146-L160 HydrophobicContact CZ-CD2 4.23Å; C155-L160 HydrophobicContact CB-CD2 4.33Å; C155-L160 HydrophobicContact CB-CG 3.99Å; T156-L160 WeakPolarHBondContact O-CB 3.34Å; T156-L160 WeakPolarHBondContact O-CD1 3.32Å; T156-L160 VanDerWaalsContact O-CG 3.31Å; T156-L160 WeakPolarHBondContact O-CG 3.27Å; T156-L160 PolarHBondContact O-N 3.35Å; K157-L160 WeakPolarHBondContact O-CB 3.26Å; K157-L160 PolarHBondContact O-N 2.87Å; E158-L160 VanDerWaalsContact C-N 3.32Å; E158-L160 PolarHBondContact O-N 2.97Å; L160-V162 VanDerWaalsContact C-N 3.27Å; L160-V162 PolarHBondContact O-N 3.45Å; L160-A163 WeakPolarHBondContact O-CB 3.39Å; L160-A163 PolarHBondContact O-N 2.9Å; L160-A163 VanDerWaalsContact O-N 3.14Å
161A83.8Confident76Confident12 Ų1275.2 Ų75.210%0.09938%0.378CS..Hα-helixtrans-66.7-26.3-179.900000113.1L20 W26 K157 E158 E159 A163 C164L20-A161 HydrophobicContact CD2-CB 3.88Å; W26-A161 HydrophobicContact CH2-CB 4.15Å; W26-A161 HydrophobicContact CZ3-CB 4.45Å; K157-A161 PolarHBondContact O-N 2.93Å; E158-A161 WeakPolarHBondContact O-CB 3.41Å; E158-A161 PolarHBondContact O-N 3.4Å; E159-A161 VanDerWaalsContact C-N 3.29Å; E159-A161 PolarHBondContact O-N 3.23Å; A161-A163 PolarHBondContact O-N 2.7Å; A161-C164 WeakPolarHBondContact O-CB 3.23Å; A161-C164 PolarHBondContact O-N 2.86Å
162V83.4Confident73.8Confident92 Ų9276.9 Ų76.956%0.55839%0.388SS*.G310 helixtrans-61.5-27.7174-175.40000111.5E159 L160 C164 L165E159-V162 PolarHBondContact O-N 3.36Å; L160-V162 VanDerWaalsContact C-N 3.27Å; L160-V162 PolarHBondContact O-N 3.45Å; V162-C164 PolarHBondContact O-N 3.04Å; V162-L165 HydrophobicContact CG1-CD1 4.1Å; V162-L165 WeakPolarHBondContact O-CD1 3.48Å; V162-L165 VanDerWaalsContact O-CG 3.3Å; V162-L165 WeakPolarHBondContact O-CG 3.29Å
163A83.4Confident71.4Confident22 Ų2276.2 Ų76.218%0.18239%0.385CS..G310 helixtrans-75.2-5.8175.400000113.7I17 F146 L160 A161 P166I17-A163 HydrophobicContact CD1-CB 3.86Å; I17-A163 HydrophobicContact CG1-CB 4.14Å; I17-A163 HydrophobicContact CG2-CB 4.09Å; F146-A163 HydrophobicContact CD1-CB 4.46Å; F146-A163 HydrophobicContact CE1-CB 3.7Å; F146-A163 HydrophobicContact CZ-CB 3.85Å; L160-A163 WeakPolarHBondContact O-CB 3.39Å; L160-A163 PolarHBondContact O-N 2.9Å; L160-A163 VanDerWaalsContact O-N 3.14Å; A161-A163 PolarHBondContact O-N 2.7Å; A163-P166 WeakPolarHBondContact O-CD 3.26Å
164C79.9Confident69.1Low0 Ų074.5 Ų74.50%038%0.384CS..G310 helixtrans-82.9-14.6176.3-61.20000113.7L20 C21 W26 A161 V162 Y167 V168L20-C164 WeakPolarHBondContact CD2-SG 3.46Å; C21-C164 HydrophobicContact CB-CB 3.75Å; C21-C164 WeakPolarHBondContact CB-SG 3.46Å; C21-C164 WeakPolarHBondContact SG-CA 3.29Å; C21-C164 WeakPolarHBondContact SG-CB 3.25Å; C21-C164 CovalentContact SG-SG 2.02Å; C21-C164 PolarHBondContact SG-SG 2.66Å; W26-C164 HydrophobicContact CH2-CB 3.23Å; W26-C164 WeakPolarHBondContact CH2-SG 2.97Å; W26-C164 HydrophobicContact CZ2-CB 3.38Å; W26-C164 WeakPolarHBondContact CZ2-SG 3.4Å; W26-C164 HydrophobicContact CZ3-CB 3.86Å; A161-C164 WeakPolarHBondContact O-CB 3.23Å; A161-C164 PolarHBondContact O-N 2.86Å; V162-C164 PolarHBondContact O-N 3.04Å; C164-Y167 WeakPolarHBondContact O-CA 3.21Å; C164-Y167 WeakPolarHBondContact O-CB 3.32Å; C164-Y167 PolarHBondContact O-N 2.76Å; C164-V168 PolarHBondContact O-N 2.96Å
165L68.4Low66.7Low109 Ų10983.4 Ų83.457%0.57142%0.421SS*.Hα-helixtrans-48.4-48.1178.3-65.3173.3000114.4V162 Y167 V168V162-L165 HydrophobicContact CG1-CD1 4.1Å; V162-L165 WeakPolarHBondContact O-CD1 3.48Å; V162-L165 VanDerWaalsContact O-CG 3.3Å; V162-L165 WeakPolarHBondContact O-CG 3.29Å; L165-Y167 PolarHBondContact O-N 2.78Å; L165-Y167 VanDerWaalsContact O-N 3.12Å; L165-V168 PolarHBondContact O-N 3.24Å; L165-V168 VanDerWaalsContact O-N 3.1Å
166P63.6Low64.4Low92 Ų9293.4 Ų93.460%0.59746%0.459SS*.Hα-helixtrans-63.8-17.3176.623.5-34.1000114.6A163A163-P166 WeakPolarHBondContact O-CD 3.26Å
167Y53.3Low61.8Low114 Ų114100.6 Ų100.645%0.44749%0.49SS..Hα-helixtrans-88-18.5176.4-65.7-86.9000113.1I17 C21 C164 L165I17-Y167 HydrophobicContact CG2-CE2 4.22Å; C21-Y167 HydrophobicContact CB-CD2 4.39Å; C21-Y167 HydrophobicContact CB-CG 4.45Å; C164-Y167 WeakPolarHBondContact O-CA 3.21Å; C164-Y167 WeakPolarHBondContact O-CB 3.32Å; C164-Y167 PolarHBondContact O-N 2.76Å; L165-Y167 PolarHBondContact O-N 2.78Å; L165-Y167 VanDerWaalsContact O-N 3.12Å
168V53.7Low59.3Low52 Ų52110.7 Ų110.732%0.31553%0.525SS..Hα-helixtrans-81-40.9178.5-173.50000110.8W26 C164 L165 F170 K171 T172W26-V168 HydrophobicContact CD2-CG2 4.26Å; W26-V168 HydrophobicContact CE3-CG2 4.48Å; W26-V168 HydrophobicContact CG-CG2 4.29Å; C164-V168 PolarHBondContact O-N 2.96Å; L165-V168 PolarHBondContact O-N 3.24Å; L165-V168 VanDerWaalsContact O-N 3.1Å; V168-F170 VanDerWaalsContact C-N 3.29Å; V168-F170 PolarHBondContact O-N 3.37Å; V168-K171 PolarHBondContact O-N 3.04Å; V168-K171 VanDerWaalsContact O-N 3.16Å; V168-T172 PolarHBondContact O-N 3.2Å; V168-T172 PolarHBondContact O-OG1 2.88Å
169D49.2Very low58Low106 Ų106111.3 Ų111.357%0.56753%0.528SS*.Hα-helixtrans-65.8-27.8178.2-78.5-27.5000113.6K171 T172 N173D169-K171 VanDerWaalsContact C-N 3.31Å; D169-K171 PolarHBondContact O-N 3.45Å; D169-T172 PolarHBondContact O-OG1 3.39Å; D169-N173 PolarHBondContact O-N 3.17Å; D169-N173 PolarHBondContact O-ND2 3.11Å
170F46.9Very low56.5Low165 Ų165113.8 Ų113.872%0.72454%0.541SS*.Hα-helixtrans-71.9-27.4176.7-150-91.2000112.2V168V168-F170 VanDerWaalsContact C-N 3.29Å; V168-F170 PolarHBondContact O-N 3.37Å
171K45.3Very low54.9Low165 Ų165119.9 Ų119.972%0.71757%0.569SS**Hα-helixtrans-84.5-31.3-177.9-161.6175.4-177.2-179.50112.5V168 D169V168-K171 PolarHBondContact O-N 3.04Å; V168-K171 VanDerWaalsContact O-N 3.16Å; D169-K171 VanDerWaalsContact C-N 3.31Å; D169-K171 PolarHBondContact O-N 3.45Å
172T44.4Very low53.2Low78 Ų78126.2 Ų126.248%0.47960%0.597SS.*Hα-helixtrans-81.5-29.9-179.251.10000113V168 D169 N174V168-T172 PolarHBondContact O-N 3.2Å; V168-T172 PolarHBondContact O-OG1 2.88Å; D169-T172 PolarHBondContact O-OG1 3.39Å; T172-N174 VanDerWaalsContact C-N 3.33Å; T172-N174 PolarHBondContact O-N 2.97Å
173N38.6Very low51.3Low108 Ų108128.4 Ų128.458%0.57860%0.599SS**G310 helixtrans-78.5-12.2178.9-72.1-41.3000114.5D169 K175D169-N173 PolarHBondContact O-N 3.17Å; D169-N173 PolarHBondContact O-ND2 3.11Å; N173-K175 PolarHBondContact O-N 3.19Å
174N41.8Very low49.1Very low132 Ų132135.5 Ų135.571%0.70663%0.627SS**G310 helixtrans-82.28.8173.3-116.4-6.8000114T172T172-N174 VanDerWaalsContact C-N 3.33Å; T172-N174 PolarHBondContact O-N 2.97Å
175K40.8Very low46.9Very low190 Ų190145.1 Ų145.183%0.82667%0.672SS**G310 helixtrans-100.89.1173.5-72.9-170.8177.9-178.60114.2N173N173-K175 PolarHBondContact O-N 3.19Å
176R40.5Very low45.3Very low212 Ų212147.9 Ų147.980%0.868%0.68SS**SBendtrans-124.424.8-175.1-107.4-163-82.7-176-4.6116.4
177H36.3Very low43.8Very low179 Ų179152.6 Ų152.683%0.82969%0.686SS**  trans-149.783162.1-87.7-75000110.7
178W34.2Very low42.9Very low330 Ų330156.1 Ų156.1100%1.2571%0.708SS**  trans-148.80144.3-80.196.8000106.8

Retrieved 178 of 178 residues in 27.4 ms (Link to these results)