A0A5K4FBD0_SCHMA Loading...

Uncharacterized protein

AlphaFold DB , UniProt , Accession A0A5K4FBD0, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 186 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
1M69.7Low82Confident195 Ų195108.6 Ų108.696%0.96155%0.553SS**  0-84.90-56.9-41.3-171.100111.1L3 L4 T5M1-L3 VanDerWaalsContact C-N 3.34Å; M1-L3 PolarHBondContact O-N 3.17Å; M1-L3 VanDerWaalsContact O-N 3.09Å; M1-L4 WeakPolarHBondContact O-CB 3.46Å; M1-L4 PolarHBondContact O-N 3.24Å; M1-T5 PolarHBondContact O-N 3.24Å
2K78.6Confident82.3Confident182 Ų182107.8 Ų107.879%0.79155%0.55SS*.Hα-helixtrans-43.4-49.7-173.7-64-175.3178.3-175.60115.3L4 T5 L6K2-L4 VanDerWaalsContact C-N 3.33Å; K2-L4 PolarHBondContact O-N 3.38Å; K2-T5 WeakPolarHBondContact O-CB 3.34Å; K2-T5 PolarHBondContact O-N 3.09Å; K2-L6 PolarHBondContact O-N 2.78Å
3L77.9Confident82.3Confident121 Ų121108.2 Ų108.263%0.63455%0.548SS*.Hα-helixtrans-61.8-35.4-179.9-163.773000113.9M1 F7 F181M1-L3 VanDerWaalsContact C-N 3.34Å; M1-L3 PolarHBondContact O-N 3.17Å; M1-L3 VanDerWaalsContact O-N 3.09Å; L3-F7 PolarHBondContact O-N 3.31Å; L3-F181 HydrophobicContact CD1-CE1 4.43Å; L3-F181 HydrophobicContact CD1-CZ 4.29Å
4L83.3Confident82.2Confident118 Ų118102.4 Ų102.462%0.61852%0.522SS*.Hα-helixtrans-68.7-40.8176.4-168.283.9000110.7M1 K2 F7 V8M1-L4 WeakPolarHBondContact O-CB 3.46Å; M1-L4 PolarHBondContact O-N 3.24Å; K2-L4 VanDerWaalsContact C-N 3.33Å; K2-L4 PolarHBondContact O-N 3.38Å; L4-F7 PolarHBondContact O-N 3.41Å; L4-V8 WeakPolarHBondContact O-CG2 3.46Å; L4-V8 PolarHBondContact O-N 2.91Å
5T83.1Confident82.1Confident88 Ų88105.1 Ų105.154%0.5453%0.525SS..Hα-helixtrans-62.4-44.7176.8-49.90000111.2M1 K2 F7 V8 V9M1-T5 PolarHBondContact O-N 3.24Å; K2-T5 WeakPolarHBondContact O-CB 3.34Å; K2-T5 PolarHBondContact O-N 3.09Å; T5-F7 PolarHBondContact O-N 3.25Å; T5-V8 PolarHBondContact O-N 2.97Å; T5-V9 WeakPolarHBondContact O-CG2 3.25Å; T5-V9 PolarHBondContact O-N 3.23Å
6L83.3Confident81.8Confident66 Ų66104.9 Ų104.935%0.34653%0.525SS..Hα-helixtrans-61.1-43.6175.2-68.3172.4000111.9K2 V8 V9 F10 I184K2-L6 PolarHBondContact O-N 2.78Å; L6-V8 PolarHBondContact O-N 3.34Å; L6-V9 PolarHBondContact O-N 3.01Å; L6-F10 WeakPolarHBondContact O-CB 3.45Å; L6-F10 PolarHBondContact O-N 3.48Å; L6-I184 HydrophobicContact CD1-CD1 3.71Å
7F84.9Confident81.1Confident129 Ų129105.7 Ų105.757%0.56653%0.525SS*.Hα-helixtrans-62.1-42.4177-174-99.2000112.5L3 L4 T5 F10 I11L3-F7 PolarHBondContact O-N 3.31Å; L4-F7 PolarHBondContact O-N 3.41Å; T5-F7 PolarHBondContact O-N 3.25Å; F7-F10 PolarHBondContact O-N 3.39Å; F7-I11 HydrophobicContact CD1-CG1 4.26Å; F7-I11 HydrophobicContact CE1-CD1 4.42Å; F7-I11 HydrophobicContact CE1-CG1 3.87Å; F7-I11 HydrophobicContact CE2-CD1 4.45Å; F7-I11 HydrophobicContact CE2-CG1 4.44Å; F7-I11 HydrophobicContact CZ-CD1 4.04Å; F7-I11 HydrophobicContact CZ-CG1 3.97Å; F7-I11 WeakPolarHBondContact O-CG1 3.38Å; F7-I11 PolarHBondContact O-N 3.27Å
8V86.7Confident80.4Confident88 Ų88108.7 Ų108.753%0.53354%0.537SS..Hα-helixtrans-66.4-41.1177.1172.20000111.7L4 T5 L6 F10 L12L4-V8 WeakPolarHBondContact O-CG2 3.46Å; L4-V8 PolarHBondContact O-N 2.91Å; T5-V8 PolarHBondContact O-N 2.97Å; L6-V8 PolarHBondContact O-N 3.34Å; V8-F10 VanDerWaalsContact C-N 3.34Å; V8-L12 WeakPolarHBondContact O-CB 3.36Å; V8-L12 PolarHBondContact O-N 2.89Å
9V86.8Confident79.2Confident71 Ų71108.2 Ų108.243%0.4354%0.536SS..Hα-helixtrans-63.3-41.6175.3170.80000111.1T5 L6 L12 Q13T5-V9 WeakPolarHBondContact O-CG2 3.25Å; T5-V9 PolarHBondContact O-N 3.23Å; L6-V9 PolarHBondContact O-N 3.01Å; V9-L12 PolarHBondContact O-N 3.09Å; V9-Q13 WeakPolarHBondContact O-CG 3.37Å; V9-Q13 PolarHBondContact O-N 2.98Å
10F82.6Confident78.2Confident50 Ų50112.3 Ų112.322%0.21955%0.545CS..Hα-helixtrans-60.6-51.5176.8-178.5-97.8000112L6 F7 V8 L12 Q13 C14 C173 L177L6-F10 WeakPolarHBondContact O-CB 3.45Å; L6-F10 PolarHBondContact O-N 3.48Å; F7-F10 PolarHBondContact O-N 3.39Å; V8-F10 VanDerWaalsContact C-N 3.34Å; F10-L12 VanDerWaalsContact C-N 3.28Å; F10-L12 PolarHBondContact O-N 2.99Å; F10-Q13 PolarHBondContact O-N 3.36Å; F10-Q13 VanDerWaalsContact O-N 3.12Å; F10-C14 PolarHBondContact O-N 3.18Å; F10-C14 PolarHBondContact O-SG 3.36Å; F10-C14 VanDerWaalsContact O-SG 3.36Å; F10-C173 HydrophobicContact CE2-CB 3.65Å; F10-C173 HydrophobicContact CZ-CB 3.82Å; F10-L177 HydrophobicContact CD2-CD1 3.86Å; F10-L177 HydrophobicContact CD2-CD2 4.43Å; F10-L177 HydrophobicContact CD2-CG 4.01Å; F10-L177 HydrophobicContact CE2-CD1 3.37Å; F10-L177 HydrophobicContact CE2-CG 3.91Å; F10-L177 HydrophobicContact CZ-CD1 3.76Å
11I84.8Confident77.1Confident87 Ų87111.5 Ų111.545%0.44655%0.549SS..Hα-helixtrans-59.9-39.3177.1-64.8-64.2000111.3F7 Y15F7-I11 HydrophobicContact CD1-CG1 4.26Å; F7-I11 HydrophobicContact CE1-CD1 4.42Å; F7-I11 HydrophobicContact CE1-CG1 3.87Å; F7-I11 HydrophobicContact CE2-CD1 4.45Å; F7-I11 HydrophobicContact CE2-CG1 4.44Å; F7-I11 HydrophobicContact CZ-CD1 4.04Å; F7-I11 HydrophobicContact CZ-CG1 3.97Å; F7-I11 WeakPolarHBondContact O-CG1 3.38Å; F7-I11 PolarHBondContact O-N 3.27Å; I11-Y15 WeakPolarHBondContact O-CB 3.38Å; I11-Y15 PolarHBondContact O-N 3.34Å
12L85.9Confident76.2Confident98 Ų98108.7 Ų108.751%0.51353%0.533SS..Hα-helixtrans-66.3-37.7176.4-170.369.2000112.2V8 V9 F10 L16V8-L12 WeakPolarHBondContact O-CB 3.36Å; V8-L12 PolarHBondContact O-N 2.89Å; V9-L12 PolarHBondContact O-N 3.09Å; F10-L12 VanDerWaalsContact C-N 3.28Å; F10-L12 PolarHBondContact O-N 2.99Å; L12-L16 HydrophobicContact CG-CD1 4.11Å; L12-L16 WeakPolarHBondContact O-CB 3.49Å; L12-L16 VanDerWaalsContact O-CG 3.24Å; L12-L16 WeakPolarHBondContact O-CG 3.36Å; L12-L16 PolarHBondContact O-N 2.99Å
13Q82.8Confident74.7Confident113 Ų113107.6 Ų107.653%0.52853%0.531SS..Hα-helixtrans-67-45.4175.2-78.6-178-44.200112.1V9 F10 Y15 L16 F17V9-Q13 WeakPolarHBondContact O-CG 3.37Å; V9-Q13 PolarHBondContact O-N 2.98Å; F10-Q13 PolarHBondContact O-N 3.36Å; F10-Q13 VanDerWaalsContact O-N 3.12Å; Q13-Y15 VanDerWaalsContact C-N 3.33Å; Q13-Y15 PolarHBondContact O-N 3.5Å; Q13-L16 PolarHBondContact O-N 3.28Å; Q13-F17 WeakPolarHBondContact O-CB 3.41Å; Q13-F17 PolarHBondContact O-N 3.09Å
14C80.3Confident73.5Confident27 Ų27104 Ų10418%0.18251%0.511CS..Hα-helixtrans-56.7-49.6173.3-62.50000110.4F10 L16 F17 E18F10-C14 PolarHBondContact O-N 3.18Å; F10-C14 PolarHBondContact O-SG 3.36Å; F10-C14 VanDerWaalsContact O-SG 3.36Å; C14-L16 PolarHBondContact O-N 3.42Å; C14-F17 PolarHBondContact O-N 3.24Å; C14-F17 VanDerWaalsContact O-N 3.13Å; C14-E18 VanDerWaalsContact O-CB 3.29Å; C14-E18 WeakPolarHBondContact O-CB 3.35Å; C14-E18 PolarHBondContact O-N 3.04Å
15Y81.2Confident72Confident143 Ų143102.3 Ų102.356%0.56150%0.503SS*.Hα-helixtrans-62.4-39.1-179.9-165.8-116000112.9I11 Q13 L19I11-Y15 WeakPolarHBondContact O-CB 3.38Å; I11-Y15 PolarHBondContact O-N 3.34Å; Q13-Y15 VanDerWaalsContact C-N 3.33Å; Q13-Y15 PolarHBondContact O-N 3.5Å; Y15-L19 HydrophobicContact CD1-CD1 3.66Å; Y15-L19 HydrophobicContact CD1-CG 4.47Å; Y15-L19 HydrophobicContact CE1-CD1 3.33Å; Y15-L19 HydrophobicContact CE1-CG 4.28Å; Y15-L19 HydrophobicContact CE2-CD1 4.28Å; Y15-L19 HydrophobicContact CE2-CG 4.4Å; Y15-L19 HydrophobicContact CG-CD1 4.27Å; Y15-L19 WeakPolarHBondContact O-CB 3.45Å; Y15-L19 WeakPolarHBondContact O-CG 3.37Å; Y15-L19 PolarHBondContact O-N 3.48Å
16L77.5Confident70.7Confident102 Ų102105.8 Ų105.853%0.53451%0.513SS..Hα-helixtrans-72.6-24.5175.7-74.1173000113.9L12 Q13 C14L12-L16 HydrophobicContact CG-CD1 4.11Å; L12-L16 WeakPolarHBondContact O-CB 3.49Å; L12-L16 VanDerWaalsContact O-CG 3.24Å; L12-L16 WeakPolarHBondContact O-CG 3.36Å; L12-L16 PolarHBondContact O-N 2.99Å; Q13-L16 PolarHBondContact O-N 3.28Å; C14-L16 PolarHBondContact O-N 3.42Å
17F70.2Confident69.4Low119 Ų119105.7 Ų105.752%0.52252%0.518SS..Hα-helixtrans-81.5-43175.2-169.6-92.7000110.9Q13 C14 L19 R20 C169Q13-F17 WeakPolarHBondContact O-CB 3.41Å; Q13-F17 PolarHBondContact O-N 3.09Å; C14-F17 PolarHBondContact O-N 3.24Å; C14-F17 VanDerWaalsContact O-N 3.13Å; F17-L19 VanDerWaalsContact C-N 3.29Å; F17-L19 PolarHBondContact O-N 3.04Å; F17-R20 WeakPolarHBondContact O-CB 3.45Å; F17-R20 PolarHBondContact O-N 2.97Å; F17-C169 HydrophobicContact CD1-CB 4.28Å; F17-C169 VanDerWaalsContact CD1-SG 3.57Å; F17-C169 HydrophobicContact CE1-CB 4.04Å
18E67.7Low68Low159 Ų159104.3 Ų104.374%0.74351%0.513SS*.Hα-helixtrans-70.1-25.4176.7-159.5162.7-159.900112.1C14 R20C14-E18 VanDerWaalsContact O-CB 3.29Å; C14-E18 WeakPolarHBondContact O-CB 3.35Å; C14-E18 PolarHBondContact O-N 3.04Å; E18-R20 VanDerWaalsContact C-N 3.34Å
19L57.8Low66.3Low99 Ų99103.9 Ų103.952%0.51851%0.506SS..THydrogen-bonded Turntrans-82.81.9166.8-75.3178000114.8Y15 F17 P21Y15-L19 HydrophobicContact CD1-CD1 3.66Å; Y15-L19 HydrophobicContact CD1-CG 4.47Å; Y15-L19 HydrophobicContact CE1-CD1 3.33Å; Y15-L19 HydrophobicContact CE1-CG 4.28Å; Y15-L19 HydrophobicContact CE2-CD1 4.28Å; Y15-L19 HydrophobicContact CE2-CG 4.4Å; Y15-L19 HydrophobicContact CG-CD1 4.27Å; Y15-L19 WeakPolarHBondContact O-CB 3.45Å; Y15-L19 WeakPolarHBondContact O-CG 3.37Å; Y15-L19 PolarHBondContact O-N 3.48Å; F17-L19 VanDerWaalsContact C-N 3.29Å; F17-L19 PolarHBondContact O-N 3.04Å; L19-P21 WeakPolarHBondContact O-CD 3.45Å
20R59.8Low64.9Low191 Ų191104 Ų10472%0.72151%0.506SS*.SBendtrans-87.798.5159.6-70.5-174.5-167.5-167.72.9107.3F17 E18 H22F17-R20 WeakPolarHBondContact O-CB 3.45Å; F17-R20 PolarHBondContact O-N 2.97Å; E18-R20 VanDerWaalsContact C-N 3.34Å; R20-H22 PolarHBondContact O-N 3.06Å
21P53.4Low63.7Low96 Ų96108.6 Ų108.662%0.62353%0.526SS*.  trans-57114.3157.826.6-32.4000106.1L19 Q23L19-P21 WeakPolarHBondContact O-CD 3.45Å; P21-Q23 PolarHBondContact O-N 3.37Å
22H51.8Low62.2Low135 Ų135108.5 Ų108.563%0.62553%0.526SS*.  trans-67.896.1169.2-161.8-64000105.4R20 M24R20-H22 PolarHBondContact O-N 3.06Å; H22-M24 PolarHBondContact O-N 3.33Å
23Q46.5Very low60.9Low160 Ų160108.6 Ų108.675%0.74853%0.526SS*.  trans-63.380.4169.6-70.8-72.8-4.700106.9P21 N25P21-Q23 PolarHBondContact O-N 3.37Å; Q23-N25 PolarHBondContact O-N 2.87Å
24M52.8Low59.5Low44 Ų44112.2 Ų112.222%0.21754%0.535CS..  trans-66.292162.5-72.4-170.4-63.900105.4H22 E26 Q29 Y165H22-M24 PolarHBondContact O-N 3.33Å; M24-E26 PolarHBondContact O-N 3.37Å; M24-Q29 HydrophobicContact CB-CG 4.16Å; M24-Q29 PolarHBondContact O-NE2 3.43Å; M24-Y165 HydrophobicContact SD-CE2 4.43Å
25N52.5Low58.2Low83 Ų83117 Ų11744%0.44456%0.555SS.*  trans-34.5133.5162.249.7-0.3000110.1Q23 S27 E28Q23-N25 PolarHBondContact O-N 2.87Å; N25-S27 VanDerWaalsContact CG-OG 3.28Å; N25-S27 PolarHBondContact ND2-OG 3.29Å; N25-S27 PolarHBondContact O-N 3.12Å; N25-E28 PolarHBondContact O-N 2.95Å; N25-E28 WeakPolarHBondContact OD1-CB 3.24Å; N25-E28 VanDerWaalsContact OD1-CG 3.3Å; N25-E28 WeakPolarHBondContact OD1-CG 3.34Å
26E55.4Low56.8Low161 Ų161117.7 Ų117.775%0.75256%0.556SS**Hα-helixtrans-58.1-21.5-174.6-59.7177.8123.900112.1M24 Q29 T30M24-E26 PolarHBondContact O-N 3.37Å; E26-Q29 PolarHBondContact O-N 3.36Å; E26-T30 VanDerWaalsContact O-CB 3.29Å; E26-T30 WeakPolarHBondContact O-CB 3.33Å; E26-T30 PolarHBondContact O-N 3.34Å; E26-T30 PolarHBondContact O-OG1 3Å
27S55.3Low55.5Low64 Ų64122 Ų12245%0.44857%0.565SS.*Hα-helixtrans-62-35.1171.656.40000114.7N25 K31N25-S27 VanDerWaalsContact CG-OG 3.28Å; N25-S27 PolarHBondContact ND2-OG 3.29Å; N25-S27 PolarHBondContact O-N 3.12Å; S27-K31 WeakPolarHBondContact O-CG 3.24Å; S27-K31 PolarHBondContact O-N 2.89Å
28E55.8Low54.6Low101 Ų101120.5 Ų120.547%0.47257%0.57SS.*Hα-helixtrans-80.8-38174.5-74.9-164.3163.200112.2N25 T30 K31 L32N25-E28 PolarHBondContact O-N 2.95Å; N25-E28 WeakPolarHBondContact OD1-CB 3.24Å; N25-E28 VanDerWaalsContact OD1-CG 3.3Å; N25-E28 WeakPolarHBondContact OD1-CG 3.34Å; E28-T30 VanDerWaalsContact C-N 3.31Å; E28-T30 PolarHBondContact O-N 3.32Å; E28-K31 PolarHBondContact O-N 3.38Å; E28-L32 PolarHBondContact O-N 3.35Å; E28-L32 VanDerWaalsContact O-N 3.15Å
29Q52.1Low54Low79 Ų79119.1 Ų119.137%0.36957%0.567SS.*Hα-helixtrans-60-43.1173.3-62.6-162.657.200111.3M24 E26 K31 L32 I33M24-Q29 HydrophobicContact CB-CG 4.16Å; M24-Q29 PolarHBondContact O-NE2 3.43Å; E26-Q29 PolarHBondContact O-N 3.36Å; Q29-K31 PolarHBondContact O-N 2.91Å; Q29-L32 PolarHBondContact O-N 2.94Å; Q29-I33 WeakPolarHBondContact O-CD1 3.24Å; Q29-I33 VanDerWaalsContact O-CG1 3.26Å; Q29-I33 WeakPolarHBondContact O-CG1 3.47Å; Q29-I33 PolarHBondContact O-N 3.45Å
30T56Low53.7Low72 Ų72121.1 Ų121.144%0.44258%0.579SS.*Hα-helixtrans-65.8-36.2179.2-570000112.5E26 E28 I33 R34E26-T30 VanDerWaalsContact O-CB 3.29Å; E26-T30 WeakPolarHBondContact O-CB 3.33Å; E26-T30 PolarHBondContact O-N 3.34Å; E26-T30 PolarHBondContact O-OG1 3Å; E28-T30 VanDerWaalsContact C-N 3.31Å; E28-T30 PolarHBondContact O-N 3.32Å; T30-I33 PolarHBondContact O-N 3.32Å; T30-R34 PolarHBondContact O-N 3.41Å
31K57.5Low53.5Low147 Ų147120 Ų12064%0.63958%0.579SS**Hα-helixtrans-63.3-49.1174.9-78.9174.8179.6179.40111.4S27 E28 Q29 I33 R34 Q35S27-K31 WeakPolarHBondContact O-CG 3.24Å; S27-K31 PolarHBondContact O-N 2.89Å; E28-K31 PolarHBondContact O-N 3.38Å; Q29-K31 PolarHBondContact O-N 2.91Å; K31-I33 VanDerWaalsContact C-N 3.32Å; K31-I33 PolarHBondContact O-N 2.98Å; K31-R34 PolarHBondContact O-N 3.4Å; K31-Q35 WeakPolarHBondContact O-CB 3.34Å; K31-Q35 PolarHBondContact O-N 2.99Å
32L54.8Low53.3Low86 Ų86123.3 Ų123.345%0.4559%0.591SS.*Hα-helixtrans-61.9-36.1177.2-91.4158000113.1E28 Q29 R36E28-L32 PolarHBondContact O-N 3.35Å; E28-L32 VanDerWaalsContact O-N 3.15Å; Q29-L32 PolarHBondContact O-N 2.94Å; L32-R36 WeakPolarHBondContact O-CG 3.4Å; L32-R36 PolarHBondContact O-N 3.47Å
33I57.2Low53.3Low99 Ų99125.1 Ų125.151%0.50861%0.606SS.*Hα-helixtrans-72.4-37.3178.2-68.3164.9000112.1Q29 T30 K31Q29-I33 WeakPolarHBondContact O-CD1 3.24Å; Q29-I33 VanDerWaalsContact O-CG1 3.26Å; Q29-I33 WeakPolarHBondContact O-CG1 3.47Å; Q29-I33 PolarHBondContact O-N 3.45Å; T30-I33 PolarHBondContact O-N 3.32Å; K31-I33 VanDerWaalsContact C-N 3.32Å; K31-I33 PolarHBondContact O-N 2.98Å
34R54.9Low53.2Low189 Ų189121.2 Ų121.271%0.71361%0.608SS**Hα-helixtrans-64.6-45.6171.6-80.9-169.6-174.4175.44.3111.3T30 K31 R36 R37 S38T30-R34 PolarHBondContact O-N 3.41Å; K31-R34 PolarHBondContact O-N 3.4Å; R34-R36 PolarHBondContact O-N 3.02Å; R34-R37 PolarHBondContact O-N 2.98Å; R34-S38 PolarHBondContact O-OG 3.04Å
35Q51.8Low53.1Low129 Ų129127.1 Ų127.160%0.60364%0.641SS**Hα-helixtrans-58.8-47.3-177-160.1164.55.100111.3K31 R37 S38K31-Q35 WeakPolarHBondContact O-CB 3.34Å; K31-Q35 PolarHBondContact O-N 2.99Å; Q35-R37 PolarHBondContact O-N 3.17Å; Q35-R37 VanDerWaalsContact O-N 3.16Å; Q35-S38 PolarHBondContact O-N 2.84Å
36R51.3Low52.8Low157 Ų157131 Ų13159%0.59266%0.662SS**THydrogen-bonded Turntrans-66.2-13.2176.5-68.3-171.9-171.5-168.67.7115.8L32 R34L32-R36 WeakPolarHBondContact O-CG 3.4Å; L32-R36 PolarHBondContact O-N 3.47Å; R34-R36 PolarHBondContact O-N 3.02Å
37R52.2Low52.2Low192 Ų192127.1 Ų127.173%0.72567%0.665SS**THydrogen-bonded Turntrans-91.4-7.5176.6-79.1-171.9177.4-168.62.4113.5R34 Q35R34-R37 PolarHBondContact O-N 2.98Å; Q35-R37 PolarHBondContact O-N 3.17Å; Q35-R37 VanDerWaalsContact O-N 3.16Å
38S50.2Low51.2Low88 Ų88128 Ų12862%0.61568%0.684SS**THydrogen-bonded Turntrans-89.4-26.6-177.2-560000112.8R34 Q35 D40R34-S38 PolarHBondContact O-OG 3.04Å; Q35-S38 PolarHBondContact O-N 2.84Å; S38-D40 VanDerWaalsContact C-N 3.33Å; S38-D40 PolarHBondContact O-N 2.93Å
39D54.2Low50.8Low129 Ų129131 Ų13169%0.6970%0.704SS**THydrogen-bonded Turntrans-84.4-0.3-169.4-54.4-36.2000114.4
40D51.9Low50.5Low141 Ų141136.3 Ų136.375%0.75473%0.728SS**THydrogen-bonded Turntrans-111.826.8-171.9-77.7-42.3000114S38S38-D40 VanDerWaalsContact C-N 3.33Å; S38-D40 PolarHBondContact O-N 2.93Å
41K55.3Low49.6Very low169 Ų169136.9 Ų136.974%0.73575%0.749SS**  trans-144.661.2175.7-67.1-168-16264.50114.7
42D50.9Low48.5Very low164 Ų164133.4 Ų133.488%0.87775%0.754SS**  trans-143.260.1166.7-92.9-44.7000112.1
43D51.9Low47.7Very low173 Ų173137 Ų13793%0.92577%0.774SS**  trans-120.1110.9154-66.6-53.9000105.3
44G44.1Very low46.9Very low78 Ų78140.7 Ų140.780%0.80479%0.789SS**  cis107.683.324.100000109.8
45D49.4Very low46Very low168 Ų168135.8 Ų135.890%0.89880%0.797SS**  trans-153.5137.6157.7-1547.1000112.1
46D47.3Very low45.3Very low165 Ų165133.2 Ų133.288%0.88281%0.805SS**  trans-83144.2-175.8-88.1-57.8000111.8
47G41.5Very low44.7Very low79 Ų79133 Ų13381%0.81482%0.816SS**  trans-163.644.4-17500000116.8
48G35.9Very low44Very low84 Ų84132.8 Ų132.887%0.86682%0.823SS**  trans-79133168.700000112.4
49D47.3Very low43.1Very low164 Ų164132.8 Ų132.888%0.87784%0.837SS**  trans-147.6150.3156.5-156.82000110.5
50E45.4Very low42.2Very low190 Ų190130.5 Ų130.589%0.88884%0.844SS**  trans-96.3146.6-169.2-63.1-179.4151.700113
51G37.4Very low41.4Very low84 Ų84131.1 Ų131.187%0.86685%0.848SS**  trans98.4145.7167.800000114.5
52G33.1Very low40.4Very low73 Ų73132.1 Ų132.175%0.75386%0.855SS**  cis152.9143.51.700000110.8
53D38.4Very low39.5Very low163 Ų163128.3 Ų128.387%0.87286%0.855SS**  trans79.3154.1166.7-124.8-27.8000119.7
54E40Very low38.3Very low175 Ų175123.5 Ų123.582%0.81885%0.846SS**  trans7279.8162.4-59.7-174.1-165.800122
55G37.4Very low38.1Very low86 Ų86128.9 Ų128.989%0.88785%0.85SS**  96.1145.6112.500000121.5
56G36Very low37.6Very low75 Ų75130 Ų13077%0.77385%0.85SS**  trans111.674176.300000112.5
57D38.6Very low37.3Very low154 Ų154127.9 Ų127.982%0.82485%0.845SS**  66.411372.2-129.810.9000114
58E37.7Very low37Very low186 Ų186131.2 Ų131.287%0.86984%0.844SS**  trans58.3109.4162-56-171153.900121.6
59G32.5Very low36.8Very low88 Ų88135.5 Ų135.591%0.90784%0.842SS**  trans115.2105.9139.500000117.2
60G34.5Very low36.3Very low82 Ų82135.4 Ų135.485%0.84584%0.841SS**  trans171.575.9174.700000112.6
61D35Very low35.8Very low154 Ų154132.7 Ų132.782%0.82483%0.833SS**  trans-68.7149.7171.3-80.5-52.1000112
62E34.6Very low35.5Very low189 Ų189134.5 Ų134.588%0.88382%0.822SS**  trans66.3116.1152-67.8170.9-17600120.4
63G30.8Very low35.8Very low85 Ų85137.2 Ų137.288%0.87682%0.82SS**  trans105.2129.8163.200000114.7
64G28Very low35.5Very low71 Ų71136.8 Ų136.873%0.73282%0.818SS**  cis168.6135.9-3.800000110.8
65E39Very low35.3Very low192 Ų192136.7 Ų136.790%0.89781%0.814SS**  trans57.1102.2157.4-61.4178.3-161.400119.2
66E38.6Very low35.2Very low192 Ų192139.7 Ų139.790%0.89781%0.81SS**  trans-63.8145142.3-62.1174.1168.200109.4
67P41.4Very low35.3Very low120 Ų120143.6 Ų143.678%0.77981%0.813SS**  trans-129.7100.4140.133-21.4000111.8
68N35.6Very low35.2Very low148 Ų148140 Ų14079%0.79181%0.812SS**  44.3121.9127.8-14924.1000119.3
69E32.6Very low35.1Very low175 Ų175139.1 Ų139.182%0.81881%0.813SS**  trans-52.3143.8163.1-55.9171.3170.700111.3
70N36.5Very low35.4Very low161 Ų161142.9 Ų142.986%0.86181%0.813SS**  trans-146.276.6156.1-131.718.9000110.8
71N33.1Very low35.4Very low134 Ų134142.5 Ų142.572%0.71781%0.809SS**  trans-93.5144.6163-174.422.6000108.1
72N32.4Very low35.1Very low121 Ų121138.8 Ų138.865%0.64781%0.807SS**  trans61.9142.3175.3-71.8-7.8000115.6
73D39.1Very low35.1Very low131 Ų131136.9 Ų136.970%0.70180%0.803SS**  cis-153.714734.8-105-36.8000112K75D73-K75 PolarHBondContact O-N 3.48Å
74N31Very low35.2Very low154 Ų154141.8 Ų141.882%0.82480%0.803SS**  trans-77.9114.5172.2-154.549.1000109.6
75K37.6Very low35.3Very low172 Ų172142.6 Ų142.675%0.74881%0.811SS**  trans-135.3105.7166.8-76.9-174.7-177.5164.30111.7D73D73-K75 PolarHBondContact O-N 3.48Å
76D34.3Very low34.9Very low149 Ų149136.8 Ų136.880%0.79780%0.803SS**  trans-55132.9148.2-70.1-62.3000108.9
77D38.3Very low34.5Very low158 Ų158135.5 Ų135.585%0.84580%0.802SS**  trans-156.2102.2147.3-91.8-41.6000107.3
78G36.8Very low34.5Very low77 Ų77139.4 Ų139.479%0.79481%0.81SS**  trans-85.5142.7174.400000111.3D80G78-D80 PolarHBondContact O-N 3.39Å
79D34.9Very low34.2Very low168 Ų168136.4 Ų136.490%0.89881%0.814SS**  trans-43.4123.1-179.6-98.1-50.6000114.7
80D38.5Very low34.1Very low168 Ų168132 Ų13290%0.89882%0.815SS**  trans-161.884.7143.6-121.3-17.6000112.2G78G78-D80 PolarHBondContact O-N 3.39Å
81G34.4Very low34Very low74 Ų74134.1 Ų134.176%0.76382%0.82SS**  trans96.6114.214400000121.2
82G28.8Very low34Very low75 Ų75131.4 Ų131.477%0.77382%0.824SS**  100144123.300000119.8
83D34.2Very low33.7Very low150 Ų150129.1 Ų129.180%0.80283%0.829SS**  trans59.3103.9165-64.1-7.6000117.5
84E33.8Very low33.6Very low188 Ų188131.8 Ų131.888%0.87984%0.837SS**  92.310476.6-87.1-163.2179.800113.7
85G30.8Very low33.9Very low87 Ų87133 Ų13390%0.89784%0.838SS**  trans85.1144160.100000116.7
86G29.4Very low33.9Very low71 Ų71130.1 Ų130.173%0.73284%0.837SS**  cis164.6145-5.700000112.7
87D31.6Very low34Very low164 Ų164130.9 Ų130.988%0.87784%0.841SS**  trans57157.3161.5-70.6-39.4000121.7
88E39.7Very low34Very low202 Ų202130.8 Ų130.894%0.94484%0.835SS**  trans72.4114.9178.7-53-176.4-172.500115.5
89G29.6Very low33.8Very low85 Ų85135 Ų13588%0.87684%0.839SS**  cis156.3119.6-2.100000110.8
90G32.1Very low33.9Very low82 Ų82131.9 Ų131.985%0.84582%0.823SS**  trans177.3122.9179.800000111.7
91E34.1Very low33.7Very low206 Ų206131 Ų13196%0.96382%0.818SS**  trans-96.5151.9-172.1-60.4176.7146.400112.7
92G32.1Very low33.9Very low77 Ų77131.5 Ų131.579%0.79480%0.803SS**  trans103.8114.9-178.400000111.4
93G27.3Very low34.2Very low73 Ų73134.1 Ų134.175%0.75380%0.799SS**  cis82.4132.330.400000109.8
94E36.4Very low34.2Very low188 Ų188133.2 Ų133.288%0.87979%0.789SS**  cis-156.8137.57.4-81.8160-171.100105.8
95E37.9Very low34.4Very low179 Ų179131.2 Ų131.284%0.83678%0.784SS**  cis-152164.5-3.5-88.8-176.4126.900108.7N97E95-N97 PolarHBondContact O-N 3.33Å
96P36.7Very low34.7Very low112 Ų112133.1 Ų133.173%0.72777%0.773SS**  trans-76.2111-177.531-33.4000111.9E98P96-E98 PolarHBondContact O-N 2.9Å; P96-E98 VanDerWaalsContact O-N 3.07Å
97N36.4Very low34.7Very low164 Ų164133.2 Ų133.288%0.87778%0.775SS**  trans-79.496.5171.5-162.10.6000110.2E95 N99E95-N97 PolarHBondContact O-N 3.33Å; N97-N99 PolarHBondContact O-N 3.13Å; N97-N99 VanDerWaalsContact O-N 3.16Å
98E37.6Very low34.9Very low157 Ų157132.7 Ų132.773%0.73477%0.772SS**  trans-59.7108.1176.9-62.117216900110.7P96 N100P96-E98 PolarHBondContact O-N 2.9Å; P96-E98 VanDerWaalsContact O-N 3.07Å; E98-N100 VanDerWaalsContact C-N 3.31Å
99N34.4Very low34.6Very low164 Ų164131.6 Ų131.688%0.87777%0.773SS**  trans-106.859.3149-131.212000108.3N97 N101N97-N99 PolarHBondContact O-N 3.13Å; N97-N99 VanDerWaalsContact O-N 3.16Å; N99-N101 PolarHBondContact O-N 2.95Å
100N36.1Very low34.8Very low103 Ų103130 Ų13055%0.55176%0.756SS**  trans-68.897.9173-168.126.6000107.3E98 D102E98-N100 VanDerWaalsContact C-N 3.31Å; N100-D102 PolarHBondContact ND2-OD1 2.96Å; N100-D102 PolarHBondContact ND2-OD2 2.88Å; N100-D102 PolarHBondContact O-N 3.47Å; N100-D102 PolarHBondContact OD1-OD1 2.86Å
101N35Very low34.9Very low151 Ų151129.9 Ų129.981%0.80776%0.755SS**  trans-75.863.3169.9-140.240.9000107.9N99 N103N99-N101 PolarHBondContact O-N 2.95Å; N101-N103 PolarHBondContact O-N 3.5Å
102D38.7Very low34.8Very low84 Ų84127.7 Ų127.745%0.44975%0.75SS.*  trans-5987.7167.9-108.49.2000106.1N100 K104N100-D102 PolarHBondContact ND2-OD1 2.96Å; N100-D102 PolarHBondContact ND2-OD2 2.88Å; N100-D102 PolarHBondContact O-N 3.47Å; N100-D102 PolarHBondContact OD1-OD1 2.86Å; D102-K104 HydrophobicContact CB-CD 4.35Å; D102-K104 HydrophobicContact CB-CG 4.46Å; D102-K104 PolarHBondContact O-N 3.47Å; D102-K104 WeakPolarHBondContact OD2-CE 3.29Å; D102-K104 IonicContact OD2-NZ 2.73Å; D102-K104 PolarHBondContact OD2-NZ 3.25Å
103N34.9Very low35.2Very low129 Ų129132.7 Ų132.769%0.6975%0.752SS**  trans-7465.7166.6-155.486.5000107.6N101 D105N101-N103 PolarHBondContact O-N 3.5Å; N103-D105 VanDerWaalsContact C-N 3.26Å; N103-D105 PolarHBondContact ND2-OD2 2.98Å; N103-D105 PolarHBondContact O-N 3.47Å
104K34.5Very low35.4Very low132 Ų132133.5 Ų133.557%0.57476%0.761SS**  trans-68.989.3171.6-93.4166.1169.7143.20107.9D102 D106D102-K104 HydrophobicContact CB-CD 4.35Å; D102-K104 HydrophobicContact CB-CG 4.46Å; D102-K104 PolarHBondContact O-N 3.47Å; D102-K104 WeakPolarHBondContact OD2-CE 3.29Å; D102-K104 IonicContact OD2-NZ 2.73Å; D102-K104 PolarHBondContact OD2-NZ 3.25Å; K104-D106 HydrophobicContact CB-CB 4.4Å; K104-D106 WeakPolarHBondContact CD-OD2 3.32Å; K104-D106 PolarHBondContact O-N 3.3Å
105D36.8Very low35.3Very low146 Ų146128.3 Ų128.378%0.78176%0.758SS**  trans-63.660.2146.7-68.8-57.3000108.9N103 G107N103-D105 VanDerWaalsContact C-N 3.26Å; N103-D105 PolarHBondContact ND2-OD2 2.98Å; N103-D105 PolarHBondContact O-N 3.47Å; D105-G107 PolarHBondContact O-N 3.36Å
106D37.4Very low35Very low126 Ų126127.1 Ų127.167%0.67476%0.757SS**  trans-72.8103.9167.7-85.5-30.9000106.5K104 D108K104-D106 HydrophobicContact CB-CB 4.4Å; K104-D106 WeakPolarHBondContact CD-OD2 3.32Å; K104-D106 PolarHBondContact O-N 3.3Å; D106-D108 PolarHBondContact O-N 3.43Å
107G30.6Very low35Very low74 Ų74130.9 Ų130.976%0.76377%0.765SS**  trans-67.8130.5-166.700000113.6D105 D109D105-G107 PolarHBondContact O-N 3.36Å; G107-D109 VanDerWaalsContact C-N 3.33Å; G107-D109 PolarHBondContact O-N 2.97Å
108D35.1Very low34.8Very low152 Ų152127.1 Ų127.181%0.81377%0.766SS**  trans-93.268168.2-153.72.7000110.6D106 G110D106-D108 PolarHBondContact O-N 3.43Å; D108-G110 PolarHBondContact O-N 2.73Å
109D34.1Very low34.5Very low180 Ų180123.2 Ų123.296%0.96377%0.767SS**  trans-90.652.4160.9-116.2-19.7000108.4G107G107-D109 VanDerWaalsContact C-N 3.33Å; G107-D109 PolarHBondContact O-N 2.97Å
110G33.8Very low34.5Very low52 Ų52123 Ų12354%0.53677%0.766SS.*  trans-118.5126170.700000109D108D108-G110 PolarHBondContact O-N 2.73Å
111G32.9Very low34.6Very low79 Ų79127.4 Ų127.481%0.81478%0.783SS**  113.285.264.600000107.4
112D31.9Very low34.4Very low159 Ų159124 Ų12485%0.8578%0.784SS**SBendtrans-59.8160.7173.1-154.2-11000110.7
113E40.1Very low33.9Very low182 Ų182123.7 Ų123.785%0.8580%0.8SS**  trans75.4105.2177.8-50.9-172.3-179.900117.4
114G32.9Very low33.9Very low91 Ų91127 Ų12794%0.93881%0.811SS**  trans-80.9-171.8-173.600000118.3
115G33Very low33.8Very low79 Ų79129.5 Ų129.581%0.81483%0.825SS**  trans172118.4-179.900000112.9
116D33.2Very low34Very low154 Ų154128.7 Ų128.782%0.82483%0.828SS**  trans-47.4164.4-179.8-77.9-60.4000119.4
117E36.2Very low33.9Very low190 Ų190130 Ų13089%0.88884%0.835SS**  trans83109.9147.5-80.7170.4-157.800121.6
118G32.2Very low33.9Very low86 Ų86134.8 Ų134.889%0.88784%0.837SS**  trans106.6128.8150.200000115.9
119G31.2Very low33.8Very low74 Ų74135.6 Ų135.676%0.76384%0.841SS**  cis-175.1166.5-200000111.9
120D34.5Very low33.7Very low159 Ų159132.2 Ų132.285%0.8582%0.823SS**  trans-64.5157.3-177.7-55.3-84.7000114.7
121E38Very low33.6Very low197 Ų197137.5 Ų137.592%0.92184%0.84SS**  164.5132.5110.1-86.9-178.8-171.400113.7
122G31.2Very low33.7Very low80 Ų80138.1 Ų138.183%0.82582%0.824SS**  trans88.1129.5169.600000115.4
123G27.7Very low33.8Very low76 Ų76137.6 Ų137.678%0.78482%0.821SS**  cis91.912820.200000110.5
124E35.9Very low33.5Very low199 Ų199136.1 Ų136.193%0.9381%0.812SS**  cis-145-177.48.6-65.7-176.2155.400111.6
125E31.3Very low33.7Very low185 Ų185138.9 Ų138.986%0.86481%0.805SS**  trans-69.7145.3-161.8-58.6155.2176.300117.1
126P41.7Very low34.1Very low128 Ų128141.1 Ų141.183%0.83180%0.799SS**  trans-100.889.3157.835-28.1000112.4
127N33.8Very low34.1Very low153 Ų153137.7 Ų137.782%0.81880%0.799SS**  trans49.4106.9142.9-156.217.9000119.3N129N127-N129 PolarHBondContact O-N 3.31Å; N127-N129 VanDerWaalsContact O-N 3.11Å
128E30.9Very low34.2Very low176 Ų176136 Ų13682%0.82280%0.796SS**  trans-57.1107.6172.7-59.5176.1161.500112.8
129N32.7Very low34.4Very low168 Ų168140 Ų14090%0.89880%0.798SS**  trans-117.461.4156-133.613.4000108.6N127 N131N127-N129 PolarHBondContact O-N 3.31Å; N127-N129 VanDerWaalsContact O-N 3.11Å; N129-N131 PolarHBondContact O-N 2.81Å; N129-N131 VanDerWaalsContact O-N 3.08Å
130N31.9Very low34.5Very low109 Ų109139.8 Ų139.858%0.58380%0.795SS**  trans-75.394.1-170.8-166.630.3000110.4D132N130-D132 PolarHBondContact ND2-OD1 2.84Å; N130-D132 PolarHBondContact ND2-OD2 2.78Å; N130-D132 PolarHBondContact O-N 3.49Å; N130-D132 VanDerWaalsContact O-N 3.16Å
131N33.2Very low34.4Very low164 Ų164136.1 Ų136.188%0.87780%0.795SS**  trans-8480.3163.5-148.150.2000107N129 N133N129-N131 PolarHBondContact O-N 2.81Å; N129-N131 VanDerWaalsContact O-N 3.08Å; N131-N133 PolarHBondContact O-N 3.47Å; N131-N133 VanDerWaalsContact O-N 3.07Å
132D33.6Very low34.1Very low92 Ų92134.4 Ų134.449%0.49279%0.792SS.*  trans-49.8110.5-177-78.9-74.3000111.5N130N130-D132 PolarHBondContact ND2-OD1 2.84Å; N130-D132 PolarHBondContact ND2-OD2 2.78Å; N130-D132 PolarHBondContact O-N 3.49Å; N130-D132 VanDerWaalsContact O-N 3.16Å
133N35.8Very low34.4Very low147 Ų147139.1 Ų139.179%0.78679%0.793SS**  trans-127.277.8153.8-134.563.5000108.2N131 D135N131-N133 PolarHBondContact O-N 3.47Å; N131-N133 VanDerWaalsContact O-N 3.07Å; N133-D135 PolarHBondContact O-N 3.46Å; N133-D135 VanDerWaalsContact O-N 3.13Å
134K32.4Very low34.7Very low152 Ų152139.7 Ų139.766%0.66180%0.798SS**  trans-70.697.5170.6-68.5178179.5-178.20109.4D136K134-D136 PolarHBondContact O-N 3.01Å
135D37.9Very low34.6Very low149 Ų149134.1 Ų134.180%0.79779%0.794SS**  trans-92.868.4147.9-77.4-48.5000108N133 G137N133-D135 PolarHBondContact O-N 3.46Å; N133-D135 VanDerWaalsContact O-N 3.13Å; D135-G137 PolarHBondContact O-N 2.93Å; D135-G137 VanDerWaalsContact O-N 3.13Å
136D40Very low34.8Very low126 Ų126132.8 Ų132.867%0.67479%0.793SS**  trans-60.7110.3162.6-80.3-50000107.1K134 D138K134-D136 PolarHBondContact O-N 3.01Å; D136-D138 VanDerWaalsContact C-N 3.33Å; D136-D138 PolarHBondContact O-N 3.5Å
137G34.2Very low34.4Very low81 Ų81135.4 Ų135.484%0.83579%0.794SS**  trans-69.486178.600000111.5D135 D139D135-G137 PolarHBondContact O-N 2.93Å; D135-G137 VanDerWaalsContact O-N 3.13Å; G137-D139 PolarHBondContact O-N 3.4Å
138D38.3Very low34.5Very low154 Ų154132.1 Ų132.182%0.82480%0.796SS**  trans-91.189.4179.6-155.26.8000111.5D136 G140D136-D138 VanDerWaalsContact C-N 3.33Å; D136-D138 PolarHBondContact O-N 3.5Å; D138-G140 VanDerWaalsContact C-N 3.33Å; D138-G140 PolarHBondContact O-N 2.92Å
139D35.9Very low34.5Very low172 Ų172127.5 Ų127.592%0.9280%0.796SS**  trans-79.376.7179.3-138.4-7.9000110.5G137G137-D139 PolarHBondContact O-N 3.4Å
140G32.7Very low34.8Very low68 Ų68127.2 Ų127.270%0.70180%0.795SS**  trans127.9111.2155.200000118.2D138D138-G140 VanDerWaalsContact C-N 3.33Å; D138-G140 PolarHBondContact O-N 2.92Å
141G33.1Very low34.9Very low82 Ų82131.4 Ų131.485%0.84581%0.81SS**  trans-166.3113.9166.700000111.9
142D32.2Very low34.9Very low162 Ų162127.2 Ų127.287%0.86681%0.806SS**  trans-79.5167.8177.9-155.8-12.6000111.6
143E37.4Very low34.7Very low179 Ų179126.7 Ų126.784%0.83682%0.823SS**  trans79.576.7167.8-53.2-168.3-172.600120.6
144G33.8Very low35.1Very low87 Ų87128.7 Ų128.790%0.89783%0.827SS**  91.9144.3118.700000121
145G34.1Very low35.6Very low82 Ų82130.4 Ų130.485%0.84584%0.838SS**  trans146.689.5168.800000114.6
146D34.6Very low36.1Very low158 Ų158129 Ų12985%0.84584%0.837SS**  trans-61.3173.8179.6-144.5-25.9000115.4
147E34.9Very low36.3Very low183 Ų183129.8 Ų129.886%0.85584%0.841SS**  trans81.699.4165.4-57.1-178.9-163.800120.9
148G34Very low37.2Very low83 Ų83134.5 Ų134.586%0.85684%0.841SS**  127.8112113.300000121.2
149G32.6Very low37.8Very low80 Ų80130.7 Ų130.783%0.82582%0.821SS**  trans85.7150151.900000117.1
150D38.7Very low38.8Very low162 Ų162127.7 Ų127.787%0.86681%0.805SS**  cis-150.3157.1-9.2-156.6-4.9000109.5G152D150-G152 PolarHBondContact O-N 3.18Å
151E34.3Very low39.9Very low196 Ų196125.9 Ų125.992%0.91678%0.779SS**  trans-77111.2-170.9-66.4-17916500112.2
152G32.2Very low40.8Very low77 Ų77127.4 Ų127.479%0.79477%0.768SS**  trans-137.354.4-179.800000113.3D150D150-G152 PolarHBondContact O-N 3.18Å
153G29.7Very low41.8Very low81 Ų81126.1 Ų126.184%0.83576%0.758SS**  trans-83.6113.1-179.100000113.5
154E44Very low42.5Very low189 Ų189123.7 Ų123.788%0.88375%0.747SS**  trans-99.8128.3154.2-65.5-165.9167.800108.5
155E43.4Very low43.6Very low187 Ų187125 Ų12587%0.87473%0.726SS**  trans-65.5134.1-178.8-65.6-178.2158.600110.3N157E155-N157 PolarHBondContact O-N 3.04Å
156P47.4Very low44.7Very low121 Ų121124 Ų12479%0.78671%0.706SS**  trans-65.8114.6178.426.6-33.1000109.7E158P156-E158 PolarHBondContact O-N 3.29Å
157N45.7Very low45.7Very low142 Ų142120.1 Ų120.176%0.75969%0.69SS**  trans-51.3110.7172178.818.4000110E155 N159E155-N157 PolarHBondContact O-N 3.04Å; N157-N159 PolarHBondContact O-N 3.17Å
158E52Low46.9Very low180 Ų180115.6 Ų115.684%0.84168%0.675SS**  trans-57.698.2178.7-72.4-173.2170.500109.6P156 N160P156-E158 PolarHBondContact O-N 3.29Å; E158-N160 PolarHBondContact O-N 2.8Å
159N51.9Low48.1Very low73 Ų73113 Ų11339%0.3964%0.643SS.*  trans-73.2125.9-167.3-149.6-9.6000108.1N157 N161 D162N157-N159 PolarHBondContact O-N 3.17Å; N159-N161 PolarHBondContact O-N 3.01Å; N159-D162 PolarHBondContact O-N 2.85Å; N159-D162 VanDerWaalsContact O-N 3.1Å
160N56.5Low49.5Very low110 Ų110113.1 Ų113.159%0.58863%0.628SS**THydrogen-bonded Turntrans-620.7-170.2-147.111.9000114.4E158E158-N160 PolarHBondContact O-N 2.8Å
161N55.7Low50.7Low29 Ų29108.5 Ų108.516%0.15561%0.607CS.*Hα-helixtrans-69.9-31172.9-60.3-15.8000112.4N159 M163 Q164 Y165N159-N161 PolarHBondContact O-N 3.01Å; N161-M163 VanDerWaalsContact C-N 3.27Å; N161-M163 PolarHBondContact O-N 3.33Å; N161-Q164 CarbonylContact O-C 3.59Å; N161-Q164 WeakPolarHBondContact O-CA 3.44Å; N161-Q164 PolarHBondContact O-N 2.9Å; N161-Y165 HydrophobicContact CB-CD2 4.13Å; N161-Y165 HydrophobicContact CB-CE2 3.96Å; N161-Y165 VanDerWaalsContact O-CD2 3.24Å; N161-Y165 WeakPolarHBondContact O-CD2 3.5Å; N161-Y165 PolarHBondContact O-N 3.1Å
162D52.2Low52.2Low114 Ų114103 Ų10361%0.6159%0.587SS**Hα-helixtrans-62.5-35.9179.3-68.5-20.8000111.7N159 S166N159-D162 PolarHBondContact O-N 2.85Å; N159-D162 VanDerWaalsContact O-N 3.1Å; D162-S166 WeakPolarHBondContact O-CB 3.27Å; D162-S166 PolarHBondContact O-N 2.76Å; D162-S166 PolarHBondContact O-OG 2.72Å
163M52.4Low53.7Low135 Ų135100.5 Ų100.567%0.66556%0.557SS**Hα-helixtrans-70-28.3171-103.1-162-79.400113.3N161 S166 C167N161-M163 VanDerWaalsContact C-N 3.27Å; N161-M163 PolarHBondContact O-N 3.33Å; M163-S166 WeakPolarHBondContact CA-OG 3.44Å; M163-S166 PolarHBondContact O-OG 3.07Å; M163-C167 WeakPolarHBondContact O-CB 3.43Å; M163-C167 PolarHBondContact O-N 3.16Å
164Q53.3Low55.6Low129 Ų129100.8 Ų100.860%0.60354%0.538SS*.Hα-helixtrans-76-45.8174.9-63-157.517.200111.7N161 C167 V168N161-Q164 CarbonylContact O-C 3.59Å; N161-Q164 WeakPolarHBondContact O-CA 3.44Å; N161-Q164 PolarHBondContact O-N 2.9Å; Q164-C167 WeakPolarHBondContact O-CB 3.28Å; Q164-C167 PolarHBondContact O-N 2.96Å; Q164-V168 WeakPolarHBondContact O-CG2 3Å; Q164-V168 PolarHBondContact O-N 2.85Å
165Y55.2Low56.6Low114 Ų11496.4 Ų96.445%0.44752%0.521SS..Hα-helixtrans-66.5-38.2179.3-71.6-60.1000112.8M24 N161 C167 V168 C169M24-Y165 HydrophobicContact SD-CE2 4.43Å; N161-Y165 HydrophobicContact CB-CD2 4.13Å; N161-Y165 HydrophobicContact CB-CE2 3.96Å; N161-Y165 VanDerWaalsContact O-CD2 3.24Å; N161-Y165 WeakPolarHBondContact O-CD2 3.5Å; N161-Y165 PolarHBondContact O-N 3.1Å; Y165-C167 VanDerWaalsContact C-N 3.34Å; Y165-C167 PolarHBondContact O-N 2.92Å; Y165-V168 PolarHBondContact O-N 3.32Å; Y165-C169 VanDerWaalsContact O-CB 3.27Å; Y165-C169 WeakPolarHBondContact O-CB 3.16Å; Y165-C169 PolarHBondContact O-N 3.5Å
166S58.1Low57.5Low61 Ų6193.6 Ų93.643%0.42751%0.508SS..Hα-helixtrans-63-39.2171.154.10000112.2D162 M163 C169 V170D162-S166 WeakPolarHBondContact O-CB 3.27Å; D162-S166 PolarHBondContact O-N 2.76Å; D162-S166 PolarHBondContact O-OG 2.72Å; M163-S166 WeakPolarHBondContact CA-OG 3.44Å; M163-S166 PolarHBondContact O-OG 3.07Å; S166-C169 PolarHBondContact O-N 2.9Å; S166-V170 WeakPolarHBondContact O-CB 3.2Å; S166-V170 VanDerWaalsContact O-CG2 3.28Å; S166-V170 WeakPolarHBondContact O-CG2 3.42Å; S166-V170 PolarHBondContact O-N 3.38Å
167C55Low58.2Low76 Ų7690.8 Ų90.851%0.51449%0.486SS..Hα-helixtrans-63.8-46.2174.7-165.40000112.2M163 Q164 Y165 C169 V170 C171M163-C167 WeakPolarHBondContact O-CB 3.43Å; M163-C167 PolarHBondContact O-N 3.16Å; Q164-C167 WeakPolarHBondContact O-CB 3.28Å; Q164-C167 PolarHBondContact O-N 2.96Å; Y165-C167 VanDerWaalsContact C-N 3.34Å; Y165-C167 PolarHBondContact O-N 2.92Å; C167-C169 PolarHBondContact O-N 3.35Å; C167-V170 PolarHBondContact O-N 2.71Å; C167-C171 PolarHBondContact O-N 2.94Å; C167-C171 PolarHBondContact O-SG 3.13Å; C167-C171 VanDerWaalsContact O-SG 3.36Å
168V60.7Low59Low88 Ų8887.1 Ų87.153%0.53347%0.469SS..Hα-helixtrans-62.2-43.6176.4173.40000111.3Q164 Y165 V170 C171 V172Q164-V168 WeakPolarHBondContact O-CG2 3Å; Q164-V168 PolarHBondContact O-N 2.85Å; Y165-V168 PolarHBondContact O-N 3.32Å; V168-V170 PolarHBondContact O-N 3.42Å; V168-C171 PolarHBondContact O-N 3.34Å; V168-V172 HydrophobicContact CG1-CG2 4.44Å; V168-V172 WeakPolarHBondContact O-CG2 3.42Å; V168-V172 PolarHBondContact O-N 3.03Å
169C58.9Low59.5Low28 Ų2884.8 Ų84.819%0.18946%0.458CS..Hα-helixtrans-57.7-48175.4-176.60000111.2F17 Y165 S166 C167 C171 V172 C173F17-C169 HydrophobicContact CD1-CB 4.28Å; F17-C169 VanDerWaalsContact CD1-SG 3.57Å; F17-C169 HydrophobicContact CE1-CB 4.04Å; Y165-C169 VanDerWaalsContact O-CB 3.27Å; Y165-C169 WeakPolarHBondContact O-CB 3.16Å; Y165-C169 PolarHBondContact O-N 3.5Å; S166-C169 PolarHBondContact O-N 2.9Å; C167-C169 PolarHBondContact O-N 3.35Å; C169-C171 PolarHBondContact O-N 3.15Å; C169-V172 PolarHBondContact O-N 2.87Å; C169-C173 VanDerWaalsContact O-CB 3.24Å; C169-C173 WeakPolarHBondContact O-CB 3.34Å; C169-C173 PolarHBondContact O-N 3.45Å; C169-C173 PolarHBondContact O-SG 3.42Å; C169-C173 VanDerWaalsContact O-SG 3.35Å
170V63.1Low59.8Low84 Ų8483.5 Ų83.551%0.50945%0.454SS..Hα-helixtrans-60.2-42.9176.6168.90000111.7S166 C167 V168 C173 I174S166-V170 WeakPolarHBondContact O-CB 3.2Å; S166-V170 VanDerWaalsContact O-CG2 3.28Å; S166-V170 WeakPolarHBondContact O-CG2 3.42Å; S166-V170 PolarHBondContact O-N 3.38Å; C167-V170 PolarHBondContact O-N 2.71Å; V168-V170 PolarHBondContact O-N 3.42Å; V170-C173 PolarHBondContact O-N 3.29Å; V170-I174 HydrophobicContact CG1-CD1 3.74Å; V170-I174 WeakPolarHBondContact O-CD1 3.24Å; V170-I174 VanDerWaalsContact O-CG1 3.24Å; V170-I174 WeakPolarHBondContact O-CG1 3.3Å; V170-I174 PolarHBondContact O-N 2.91Å
171C63.6Low59.8Low64 Ų6483.3 Ų83.343%0.43245%0.448SS..Hα-helixtrans-61.1-52.4176.5-71.30000112.3C167 V168 C169 C173 I174 D175C167-C171 PolarHBondContact O-N 2.94Å; C167-C171 PolarHBondContact O-SG 3.13Å; C167-C171 VanDerWaalsContact O-SG 3.36Å; V168-C171 PolarHBondContact O-N 3.34Å; C169-C171 PolarHBondContact O-N 3.15Å; C171-C173 VanDerWaalsContact C-N 3.28Å; C171-C173 PolarHBondContact O-N 2.71Å; C171-I174 PolarHBondContact O-N 3.32Å; C171-D175 PolarHBondContact O-N 3.33Å
172V65.6Low59.9Low81 Ų8188.1 Ų88.149%0.49147%0.47SS..Hα-helixtrans-60.7-38.7179.2174.70000111.5V168 C169 D175 Q176V168-V172 HydrophobicContact CG1-CG2 4.44Å; V168-V172 WeakPolarHBondContact O-CG2 3.42Å; V168-V172 PolarHBondContact O-N 3.03Å; C169-V172 PolarHBondContact O-N 2.87Å; V172-D175 PolarHBondContact O-N 3.29Å; V172-Q176 WeakPolarHBondContact O-CG 3.44Å; V172-Q176 PolarHBondContact O-N 3.28Å
173C63.7Low60.1Low24 Ų2487.2 Ų87.216%0.16247%0.473CS..Hα-helixtrans-61.8-39.5173.8-830000113F10 C169 V170 C171 L177F10-C173 HydrophobicContact CE2-CB 3.65Å; F10-C173 HydrophobicContact CZ-CB 3.82Å; C169-C173 VanDerWaalsContact O-CB 3.24Å; C169-C173 WeakPolarHBondContact O-CB 3.34Å; C169-C173 PolarHBondContact O-N 3.45Å; C169-C173 PolarHBondContact O-SG 3.42Å; C169-C173 VanDerWaalsContact O-SG 3.35Å; V170-C173 PolarHBondContact O-N 3.29Å; C171-C173 VanDerWaalsContact C-N 3.28Å; C171-C173 PolarHBondContact O-N 2.71Å; C173-L177 WeakPolarHBondContact O-CB 3.38Å; C173-L177 WeakPolarHBondContact O-CG 3.43Å; C173-L177 PolarHBondContact O-N 3.32Å; C173-L177 VanDerWaalsContact O-N 3.09Å
174I69.5Low60.4Low87 Ų8785.6 Ų85.645%0.44647%0.466SS..Hα-helixtrans-69-41.7176.7-70.7164.4000111V170 C171 L177 T178V170-I174 HydrophobicContact CG1-CD1 3.74Å; V170-I174 WeakPolarHBondContact O-CD1 3.24Å; V170-I174 VanDerWaalsContact O-CG1 3.24Å; V170-I174 WeakPolarHBondContact O-CG1 3.3Å; V170-I174 PolarHBondContact O-N 2.91Å; C171-I174 PolarHBondContact O-N 3.32Å; I174-L177 WeakPolarHBondContact O-CB 3.36Å; I174-L177 PolarHBondContact O-N 3.39Å; I174-T178 HydrophobicContact CG2-CG2 4.38Å; I174-T178 WeakPolarHBondContact O-CG2 3.48Å; I174-T178 PolarHBondContact O-N 3.03Å; I174-T178 PolarHBondContact O-OG1 3.46Å
175D65.2Low60.4Low97 Ų9785.1 Ų85.152%0.51947%0.472SS..Hα-helixtrans-64.5-43.7178.3-71.6-28.8000111.7C171 V172 L177 T178 H179C171-D175 PolarHBondContact O-N 3.33Å; V172-D175 PolarHBondContact O-N 3.29Å; D175-L177 VanDerWaalsContact C-N 3.34Å; D175-L177 PolarHBondContact O-N 3.02Å; D175-T178 PolarHBondContact O-N 3.07Å; D175-T178 PolarHBondContact O-OG1 3.42Å; D175-H179 PolarHBondContact O-CD2 3.19Å; D175-H179 PolarHBondContact O-N 3.02Å
176Q61.6Low60.1Low128 Ų12890 Ų9060%0.59850%0.504SS*.Hα-helixtrans-59.3-42.5172.4-73.7-75-5.200112.3V172 S180V172-Q176 WeakPolarHBondContact O-CG 3.44Å; V172-Q176 PolarHBondContact O-N 3.28Å; Q176-S180 WeakPolarHBondContact O-CB 3.29Å; Q176-S180 PolarHBondContact O-N 3.16Å
177L61.6Low60.2Low62 Ų6291.5 Ų91.533%0.32551%0.508SS..Hα-helixtrans-61.6-47.7175.1-88.5162.1000111.8F10 C173 I174 D175 S180 F181F10-L177 HydrophobicContact CD2-CD1 3.86Å; F10-L177 HydrophobicContact CD2-CD2 4.43Å; F10-L177 HydrophobicContact CD2-CG 4.01Å; F10-L177 HydrophobicContact CE2-CD1 3.37Å; F10-L177 HydrophobicContact CE2-CG 3.91Å; F10-L177 HydrophobicContact CZ-CD1 3.76Å; C173-L177 WeakPolarHBondContact O-CB 3.38Å; C173-L177 WeakPolarHBondContact O-CG 3.43Å; C173-L177 PolarHBondContact O-N 3.32Å; C173-L177 VanDerWaalsContact O-N 3.09Å; I174-L177 WeakPolarHBondContact O-CB 3.36Å; I174-L177 PolarHBondContact O-N 3.39Å; D175-L177 VanDerWaalsContact C-N 3.34Å; D175-L177 PolarHBondContact O-N 3.02Å; L177-S180 PolarHBondContact O-N 3.18Å; L177-F181 HydrophobicContact CD2-CD2 4.5Å; L177-F181 HydrophobicContact CD2-CE2 4.02Å; L177-F181 VanDerWaalsContact O-CD2 3.25Å; L177-F181 WeakPolarHBondContact O-CD2 3.36Å; L177-F181 PolarHBondContact O-N 3.05Å
178T64.4Low60.5Low65 Ų6592.3 Ų92.340%0.39951%0.508SS..Hα-helixtrans-65.9-40.7-178.359.10000112.1I174 D175 S180 F181 Q182I174-T178 HydrophobicContact CG2-CG2 4.38Å; I174-T178 WeakPolarHBondContact O-CG2 3.48Å; I174-T178 PolarHBondContact O-N 3.03Å; I174-T178 PolarHBondContact O-OG1 3.46Å; D175-T178 PolarHBondContact O-N 3.07Å; D175-T178 PolarHBondContact O-OG1 3.42Å; T178-S180 PolarHBondContact O-N 2.82Å; T178-F181 PolarHBondContact O-N 3.07Å; T178-Q182 WeakPolarHBondContact O-CG 3.46Å; T178-Q182 PolarHBondContact O-N 3.07Å
179H61.6Low60.5Low132 Ų13292.5 Ų92.561%0.61151%0.507SS*.Hα-helixtrans-59.9-43.1171.4-90.3-85.3000112.3D175 Q182 S183D175-H179 PolarHBondContact O-CD2 3.19Å; D175-H179 PolarHBondContact O-N 3.02Å; H179-Q182 PolarHBondContact O-N 3.38Å; H179-S183 PolarHBondContact O-N 2.81Å; H179-S183 VanDerWaalsContact O-N 3.09Å
180S57.5Low60.6Low46 Ų4696.3 Ų96.332%0.32253%0.525SS..Hα-helixtrans-64.3-41.2177.2-160.10000112.2Q176 L177 T178 S183 I184Q176-S180 WeakPolarHBondContact O-CB 3.29Å; Q176-S180 PolarHBondContact O-N 3.16Å; L177-S180 PolarHBondContact O-N 3.18Å; T178-S180 PolarHBondContact O-N 2.82Å; S180-S183 PolarHBondContact O-N 3.08Å; S180-I184 WeakPolarHBondContact O-CD1 3.48Å; S180-I184 WeakPolarHBondContact O-CG1 3.26Å; S180-I184 PolarHBondContact O-N 3.16Å
181F57.5Low60.4Low105 Ų10597.1 Ų97.146%0.46153%0.526SS..Hα-helixtrans-66.5-38.9175.7-86.3-69.9000113.1L3 L177 T178 S183 I184 T185L3-F181 HydrophobicContact CD1-CE1 4.43Å; L3-F181 HydrophobicContact CD1-CZ 4.29Å; L177-F181 HydrophobicContact CD2-CD2 4.5Å; L177-F181 HydrophobicContact CD2-CE2 4.02Å; L177-F181 VanDerWaalsContact O-CD2 3.25Å; L177-F181 WeakPolarHBondContact O-CD2 3.36Å; L177-F181 PolarHBondContact O-N 3.05Å; T178-F181 PolarHBondContact O-N 3.07Å; F181-S183 VanDerWaalsContact C-N 3.34Å; F181-I184 PolarHBondContact O-N 3.3Å; F181-T185 PolarHBondContact O-N 3.13Å; F181-T185 PolarHBondContact O-OG1 3.5Å
182Q58Low60.2Low130 Ų13099.3 Ų99.361%0.60753%0.533SS*.Hα-helixtrans-62.3-42174.2-72.6-174.211.900111.7T178 H179 I184 T185T178-Q182 WeakPolarHBondContact O-CG 3.46Å; T178-Q182 PolarHBondContact O-N 3.07Å; H179-Q182 PolarHBondContact O-N 3.38Å; Q182-I184 PolarHBondContact O-N 3.11Å; Q182-T185 PolarHBondContact O-N 2.99Å; Q182-T185 VanDerWaalsContact O-N 3.17Å
183S56.5Low59.8Low96 Ų96100.6 Ų100.667%0.67154%0.536SS*.Hα-helixtrans-66.4-18177.6-161.10000114.1H179 S180 F181H179-S183 PolarHBondContact O-N 2.81Å; H179-S183 VanDerWaalsContact O-N 3.09Å; S180-S183 PolarHBondContact O-N 3.08Å; F181-S183 VanDerWaalsContact C-N 3.34Å
184I57.1Low59.5Low101 Ų101106.5 Ų106.552%0.51856%0.564SS.*Hα-helixtrans-95.2-11177.4-68.3166.5000112.5L6 S180 F181 Q182L6-I184 HydrophobicContact CD1-CD1 3.71Å; S180-I184 WeakPolarHBondContact O-CD1 3.48Å; S180-I184 WeakPolarHBondContact O-CG1 3.26Å; S180-I184 PolarHBondContact O-N 3.16Å; F181-I184 PolarHBondContact O-N 3.3Å; Q182-I184 PolarHBondContact O-N 3.11Å
185T54.8Low58.7Low118 Ų118108.1 Ų108.172%0.72457%0.574SS**  trans-104.92.7-174.2-470000113.3F181 Q182F181-T185 PolarHBondContact O-N 3.13Å; F181-T185 PolarHBondContact O-OG1 3.5Å; Q182-T185 PolarHBondContact O-N 2.99Å; Q182-T185 VanDerWaalsContact O-N 3.17Å
186L48.2Very low58.1Low217 Ų217109.1 Ų109.1100%1.13658%0.579SS**  trans-109.70172.2-86.5151.2000111

Retrieved 186 of 186 residues in 130.1 ms (Link to these results)