A0A060XGI7_ONCMY Loading...

Si:dkey-31g6.6

AlphaFold DB , UniProt , Accession A0A060XGI7, Species ONCMY (Oncorhynchus mykiss, Rainbow trout), Gene c13h17orf67, Length 87 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M60.3Low81.7Confident195 Ų195122.1 Ų122.196%0.96162%0.622SS**  0-69.60-55.4-56.6-129.100113K3 F4 V5M1-K3 PolarHBondContact O-N 2.78Å; M1-F4 PolarHBondContact O-N 2.93Å; M1-F4 VanDerWaalsContact O-N 3.12Å; M1-V5 PolarHBondContact O-N 2.96Å; M1-V5 VanDerWaalsContact O-N 3.16Å
2K73Confident82.2Confident189 Ų189118.8 Ų118.882%0.82261%0.611SS**Hα-helixtrans-54.9-40.1-174.7-83.5177.3173.8177.20115.8V5 A6K2-V5 PolarHBondContact O-N 3.5Å; K2-A6 PolarHBondContact O-N 3.16Å
3K78.8Confident82.5Confident181 Ų181118.3 Ų118.379%0.78761%0.61SS**Hα-helixtrans-67.1-36179.2-62.8-166.1179.7-177.50113.1M1 A6 F7M1-K3 PolarHBondContact O-N 2.78Å; K3-A6 PolarHBondContact O-N 3.12Å; K3-F7 VanDerWaalsContact O-CB 3.32Å; K3-F7 WeakPolarHBondContact O-CB 3.36Å; K3-F7 PolarHBondContact O-N 2.93Å
4F80.8Confident82.6Confident165 Ų165117.1 Ų117.172%0.72460%0.604SS**Hα-helixtrans-70.9-35.7175.3-72.4-77.3000112.1M1 F7 S8M1-F4 PolarHBondContact O-N 2.93Å; M1-F4 VanDerWaalsContact O-N 3.12Å; F4-F7 PolarHBondContact O-N 3.44Å; F4-S8 WeakPolarHBondContact O-CB 3.45Å; F4-S8 PolarHBondContact O-N 3.5Å; F4-S8 PolarHBondContact O-OG 3.23Å
5V84.4Confident82.4Confident85 Ų85115.3 Ų115.352%0.51560%0.601SS.*Hα-helixtrans-66.4-43.2174176.90000111M1 K2 F7 S8 L9M1-V5 PolarHBondContact O-N 2.96Å; M1-V5 VanDerWaalsContact O-N 3.16Å; K2-V5 PolarHBondContact O-N 3.5Å; V5-F7 PolarHBondContact O-N 3.34Å; V5-S8 WeakPolarHBondContact CA-OG 3.32Å; V5-S8 PolarHBondContact O-OG 3.26Å; V5-L9 HydrophobicContact CG1-CD1 4.26Å; V5-L9 WeakPolarHBondContact O-CB 3.43Å; V5-L9 PolarHBondContact O-N 3.44Å
6A86.1Confident82.2Confident54 Ų54114.1 Ų114.145%0.44659%0.594SS.*Hα-helixtrans-64.6-40.1175.200000112.1K2 K3 L9 C10K2-A6 PolarHBondContact O-N 3.16Å; K3-A6 PolarHBondContact O-N 3.12Å; A6-L9 PolarHBondContact O-N 3.49Å; A6-C10 PolarHBondContact O-N 3.42Å
7F86.9Confident81.8Confident142 Ų142118.9 Ų118.962%0.62360%0.604SS**Hα-helixtrans-67.5-41.3179.3-156.7-93.2000112.4K3 F4 V5 C10 L11K3-F7 VanDerWaalsContact O-CB 3.32Å; K3-F7 WeakPolarHBondContact O-CB 3.36Å; K3-F7 PolarHBondContact O-N 2.93Å; F4-F7 PolarHBondContact O-N 3.44Å; V5-F7 PolarHBondContact O-N 3.34Å; F7-C10 PolarHBondContact O-N 2.96Å; F7-L11 HydrophobicContact CD1-CD1 3.76Å; F7-L11 HydrophobicContact CD1-CG 4.29Å; F7-L11 HydrophobicContact CE1-CD1 3.83Å; F7-L11 HydrophobicContact CE1-CG 4.27Å; F7-L11 WeakPolarHBondContact O-CG 3.44Å; F7-L11 PolarHBondContact O-N 3.03Å
8S85.3Confident81.1Confident61 Ų61118.3 Ų118.343%0.42760%0.602SS.*Hα-helixtrans-65.6-40.2174.446.30000112.3F4 V5 L11 V12F4-S8 WeakPolarHBondContact O-CB 3.45Å; F4-S8 PolarHBondContact O-N 3.5Å; F4-S8 PolarHBondContact O-OG 3.23Å; V5-S8 WeakPolarHBondContact CA-OG 3.32Å; V5-S8 PolarHBondContact O-OG 3.26Å; S8-L11 PolarHBondContact O-N 3.05Å; S8-V12 WeakPolarHBondContact O-CG2 3.29Å; S8-V12 PolarHBondContact O-N 3.31Å
9L87.6Confident80.3Confident102 Ų102115.6 Ų115.653%0.53460%0.599SS.*Hα-helixtrans-60.3-45.5172.2-95.1157.9000112.5V5 A6 L11 V12 L13V5-L9 HydrophobicContact CG1-CD1 4.26Å; V5-L9 WeakPolarHBondContact O-CB 3.43Å; V5-L9 PolarHBondContact O-N 3.44Å; A6-L9 PolarHBondContact O-N 3.49Å; L9-L11 VanDerWaalsContact C-N 3.32Å; L9-L11 PolarHBondContact O-N 3.32Å; L9-V12 PolarHBondContact O-N 3.43Å; L9-L13 WeakPolarHBondContact O-CG 3.36Å; L9-L13 PolarHBondContact O-N 3.39Å
10C88.1Confident79.3Confident76 Ų76116.6 Ų116.651%0.51461%0.605SS.*Hα-helixtrans-60.9-40.6176.2-82.20000112.3A6 F7 L13 L14A6-C10 PolarHBondContact O-N 3.42Å; F7-C10 PolarHBondContact O-N 2.96Å; C10-L13 PolarHBondContact O-N 2.96Å; C10-L14 WeakPolarHBondContact O-CB 3.41Å; C10-L14 PolarHBondContact O-N 2.93Å
11L87.8Confident78.3Confident93 Ų93114.4 Ų114.449%0.48760%0.604SS.*Hα-helixtrans-64.4-42.3177.6-76.6169.7000112.2F7 S8 L9 L14 T15F7-L11 HydrophobicContact CD1-CD1 3.76Å; F7-L11 HydrophobicContact CD1-CG 4.29Å; F7-L11 HydrophobicContact CE1-CD1 3.83Å; F7-L11 HydrophobicContact CE1-CG 4.27Å; F7-L11 WeakPolarHBondContact O-CG 3.44Å; F7-L11 PolarHBondContact O-N 3.03Å; S8-L11 PolarHBondContact O-N 3.05Å; L9-L11 VanDerWaalsContact C-N 3.32Å; L9-L11 PolarHBondContact O-N 3.32Å; L11-L14 PolarHBondContact O-N 3.48Å; L11-T15 WeakPolarHBondContact O-CG2 3.45Å; L11-T15 PolarHBondContact O-N 3.28Å; L11-T15 VanDerWaalsContact O-N 3.09Å; L11-T15 PolarHBondContact O-OG1 3.41Å
12V87.9Confident78.2Confident82 Ų82111 Ų11150%0.49759%0.59SS.*Hα-helixtrans-65.4-39.7177.6174.80000111.4S8 L9 L14 T15 I16S8-V12 WeakPolarHBondContact O-CG2 3.29Å; S8-V12 PolarHBondContact O-N 3.31Å; L9-V12 PolarHBondContact O-N 3.43Å; V12-L14 VanDerWaalsContact C-N 3.34Å; V12-L14 PolarHBondContact O-N 3.02Å; V12-T15 PolarHBondContact O-N 3.42Å; V12-T15 PolarHBondContact O-OG1 3.16Å; V12-I16 HydrophobicContact CG1-CD1 3.94Å; V12-I16 WeakPolarHBondContact O-CD1 3.37Å; V12-I16 VanDerWaalsContact O-CG1 3.29Å; V12-I16 WeakPolarHBondContact O-CG1 3.2Å; V12-I16 PolarHBondContact O-N 3.02Å
13L85.1Confident77.7Confident113 Ų113106.7 Ų106.759%0.59258%0.581SS**Hα-helixtrans-65.6-38.7176.9-71.1168.2000112L9 C10 Y17L9-L13 WeakPolarHBondContact O-CG 3.36Å; L9-L13 PolarHBondContact O-N 3.39Å; C10-L13 PolarHBondContact O-N 2.96Å; L13-Y17 PolarHBondContact O-N 3.34Å; L13-Y17 VanDerWaalsContact O-N 3.16Å
14L83.6Confident77.1Confident101 Ų101105.3 Ų105.353%0.52958%0.581SS.*Hα-helixtrans-64.1-42176.4-103146.5000112.6C10 L11 V12 Y17 I18C10-L14 WeakPolarHBondContact O-CB 3.41Å; C10-L14 PolarHBondContact O-N 2.93Å; L11-L14 PolarHBondContact O-N 3.48Å; V12-L14 VanDerWaalsContact C-N 3.34Å; V12-L14 PolarHBondContact O-N 3.02Å; L14-Y17 PolarHBondContact O-N 3.04Å; L14-I18 HydrophobicContact CD2-CD1 4Å; L14-I18 WeakPolarHBondContact O-CD1 3.36Å; L14-I18 WeakPolarHBondContact O-CG1 3.37Å; L14-I18 PolarHBondContact O-N 3.29Å
15T80.1Confident76.5Confident91 Ų91101.4 Ų101.456%0.55857%0.567SS**Hα-helixtrans-67.7-37.2-179.955.10000112.5L11 V12 A19L11-T15 WeakPolarHBondContact O-CG2 3.45Å; L11-T15 PolarHBondContact O-N 3.28Å; L11-T15 VanDerWaalsContact O-N 3.09Å; L11-T15 PolarHBondContact O-OG1 3.41Å; V12-T15 PolarHBondContact O-N 3.42Å; V12-T15 PolarHBondContact O-OG1 3.16Å; T15-A19 WeakPolarHBondContact O-CB 3.46Å; T15-A19 PolarHBondContact O-N 3.44Å
16I78.9Confident76.2Confident96 Ų96105.1 Ų105.149%0.49258%0.576SS.*Hα-helixtrans-64.5-45.7175.9-64.3165.2000110.2V12 I18 A19 D20V12-I16 HydrophobicContact CG1-CD1 3.94Å; V12-I16 WeakPolarHBondContact O-CD1 3.37Å; V12-I16 VanDerWaalsContact O-CG1 3.29Å; V12-I16 WeakPolarHBondContact O-CG1 3.2Å; V12-I16 PolarHBondContact O-N 3.02Å; I16-I18 PolarHBondContact O-N 3.07Å; I16-A19 PolarHBondContact O-N 3.09Å; I16-D20 PolarHBondContact O-N 3.06Å
17Y75.3Confident75.8Confident195 Ų195108.8 Ų108.877%0.76558%0.584SS**Hα-helixtrans-66.8-35.8-178.3-147-86.8000113.1L13 L14 A21L13-Y17 PolarHBondContact O-N 3.34Å; L13-Y17 VanDerWaalsContact O-N 3.16Å; L14-Y17 PolarHBondContact O-N 3.04Å; Y17-A21 PolarHBondContact O-N 3.09Å
18I69.9Low75.6Confident109 Ų109106 Ų10656%0.55958%0.582SS**Hα-helixtrans-74.1-32177.3-64.6164.5000111.3L14 I16 A21L14-I18 HydrophobicContact CD2-CD1 4Å; L14-I18 WeakPolarHBondContact O-CD1 3.36Å; L14-I18 WeakPolarHBondContact O-CG1 3.37Å; L14-I18 PolarHBondContact O-N 3.29Å; I16-I18 PolarHBondContact O-N 3.07Å; I18-A21 PolarHBondContact O-N 2.73Å
19A65.5Low75.6Confident67 Ų67109.8 Ų109.855%0.55459%0.588SS**Hα-helixtrans-67.1-36.9177.600000112.6T15 I16 A21T15-A19 WeakPolarHBondContact O-CB 3.46Å; T15-A19 PolarHBondContact O-N 3.44Å; I16-A19 PolarHBondContact O-N 3.09Å; A19-A21 VanDerWaalsContact C-N 3.33Å
20D60.1Low75.4Confident135 Ų135106.6 Ų106.672%0.72258%0.576SS**Hα-helixtrans-75.8-20.5175.7-78.2-23.9000113.2I16 N22I16-D20 PolarHBondContact O-N 3.06Å; D20-N22 VanDerWaalsContact C-N 3.31Å; D20-N22 PolarHBondContact O-N 3.32Å
21A59Low75.4Confident70 Ų70108.5 Ų108.558%0.57958%0.576SS**Hα-helixtrans-74.2-19.3-179.500000113.7Y17 I18 A19 P23Y17-A21 PolarHBondContact O-N 3.09Å; I18-A21 PolarHBondContact O-N 2.73Å; A19-A21 VanDerWaalsContact C-N 3.33Å; A21-P23 WeakPolarHBondContact O-CD 3.15Å
22N58.5Low75.4Confident125 Ų125110.1 Ų110.167%0.66858%0.581SS**SBendtrans-101.893.5167.9-107.32.4000108D20 I24D20-N22 VanDerWaalsContact C-N 3.31Å; D20-N22 PolarHBondContact O-N 3.32Å; N22-I24 PolarHBondContact O-N 3.41Å
23P62.5Low75.2Confident98 Ų98109.7 Ų109.764%0.63658%0.575SS**  trans-68.189162.930.8-31.6000105.7A21 I25A21-P23 WeakPolarHBondContact O-CD 3.15Å; P23-I25 HydrophobicContact CB-CG1 4.34Å; P23-I25 PolarHBondContact O-N 2.58Å
24I66Low75Confident151 Ų151109.5 Ų109.577%0.77458%0.575SS**  trans-60.787150.8-75.7171.3000103.3N22 K26N22-I24 PolarHBondContact O-N 3.41Å; I24-K26 PolarHBondContact O-N 3.41Å; I24-K26 VanDerWaalsContact O-N 3.09Å
25I68.3Low74.9Confident84 Ų84113.8 Ų113.843%0.43158%0.584SS.*  trans-52.5122.4177.9-74.2172.1000105.2P23 E27 Y29 A30P23-I25 HydrophobicContact CB-CG1 4.34Å; P23-I25 PolarHBondContact O-N 2.58Å; I25-E27 PolarHBondContact O-N 3.21Å; I25-Y29 HydrophobicContact CG2-CD1 3.57Å; I25-Y29 HydrophobicContact CG2-CG 4.23Å; I25-A30 HydrophobicContact CG2-CB 3.85Å
26K77.3Confident74.8Confident162 Ų162114.4 Ų114.470%0.70459%0.587SS**  trans-51.6134.5175.8-75.1-175.4178.2178.70108.5I24 S28 Y29 A30I24-K26 PolarHBondContact O-N 3.41Å; I24-K26 VanDerWaalsContact O-N 3.09Å; K26-S28 PolarHBondContact O-N 2.96Å; K26-Y29 WeakPolarHBondContact O-CA 3.33Å; K26-Y29 WeakPolarHBondContact O-CB 3.29Å; K26-Y29 PolarHBondContact O-N 3.48Å; K26-A30 PolarHBondContact O-N 2.9Å; K26-A30 VanDerWaalsContact O-N 3.07Å
27E78.6Confident74.4Confident131 Ų131118.1 Ų118.161%0.61260%0.6SS**Hα-helixtrans-50.9-35.3-176.1-169.4-169.3155.400112.6I25 A30 K31I25-E27 PolarHBondContact O-N 3.21Å; E27-A30 PolarHBondContact O-N 3.45Å; E27-K31 HydrophobicContact CG-CD 4.19Å; E27-K31 WeakPolarHBondContact O-CB 3.42Å; E27-K31 VanDerWaalsContact O-CG 3.29Å; E27-K31 WeakPolarHBondContact O-CG 3.48Å; E27-K31 PolarHBondContact O-N 3.07Å; E27-K31 WeakPolarHBondContact OE1-CE 3.47Å; E27-K31 IonicContact OE1-NZ 2.58Å; E27-K31 PolarHBondContact OE1-NZ 3.27Å
28S82.7Confident74.1Confident84 Ų84117.9 Ų117.959%0.58760%0.598SS**Hα-helixtrans-60.7-43.7174.753.90000113K26 K31 Q32K26-S28 PolarHBondContact O-N 2.96Å; S28-K31 PolarHBondContact O-N 2.93Å; S28-Q32 WeakPolarHBondContact O-CB 3.48Å; S28-Q32 PolarHBondContact O-N 2.72Å
29Y84.1Confident73.9Confident140 Ų140119.3 Ų119.355%0.54960%0.602SS.*Hα-helixtrans-72.2-39.3178.6-171.4-103.5000111.7I25 K26 K31 Q32 L33I25-Y29 HydrophobicContact CG2-CD1 3.57Å; I25-Y29 HydrophobicContact CG2-CG 4.23Å; K26-Y29 WeakPolarHBondContact O-CA 3.33Å; K26-Y29 WeakPolarHBondContact O-CB 3.29Å; K26-Y29 PolarHBondContact O-N 3.48Å; Y29-K31 PolarHBondContact O-N 2.83Å; Y29-Q32 WeakPolarHBondContact O-CB 3.16Å; Y29-Q32 PolarHBondContact O-N 3.45Å; Y29-L33 HydrophobicContact CD1-CD1 3.77Å; Y29-L33 HydrophobicContact CD1-CG 4.31Å; Y29-L33 HydrophobicContact CE1-CD1 3.49Å; Y29-L33 VanDerWaalsContact CE1-CD1 3.49Å; Y29-L33 HydrophobicContact CE1-CG 4.06Å; Y29-L33 WeakPolarHBondContact O-CG 3.48Å; Y29-L33 PolarHBondContact O-N 3.49Å
30A85Confident74.2Confident35 Ų35124.9 Ų124.929%0.28961%0.614SS.*Hα-helixtrans-60.1-45.9172.500000111.3I25 K26 E27 Q32 L33 L34I25-A30 HydrophobicContact CG2-CB 3.85Å; K26-A30 PolarHBondContact O-N 2.9Å; K26-A30 VanDerWaalsContact O-N 3.07Å; E27-A30 PolarHBondContact O-N 3.45Å; A30-Q32 VanDerWaalsContact C-N 3.3Å; A30-Q32 PolarHBondContact O-N 3.18Å; A30-L33 PolarHBondContact O-N 3.23Å; A30-L34 VanDerWaalsContact O-CG 3.28Å; A30-L34 WeakPolarHBondContact O-CG 3.39Å; A30-L34 PolarHBondContact O-N 3.46Å
31K87.4Confident74.5Confident116 Ų116125 Ų12550%0.50462%0.622SS.*Hα-helixtrans-62.6-36.3175.7-77.4174169.8174.10112.4E27 S28 Y29 L34 R35E27-K31 HydrophobicContact CG-CD 4.19Å; E27-K31 WeakPolarHBondContact O-CB 3.42Å; E27-K31 VanDerWaalsContact O-CG 3.29Å; E27-K31 WeakPolarHBondContact O-CG 3.48Å; E27-K31 PolarHBondContact O-N 3.07Å; E27-K31 WeakPolarHBondContact OE1-CE 3.47Å; E27-K31 IonicContact OE1-NZ 2.58Å; E27-K31 PolarHBondContact OE1-NZ 3.27Å; S28-K31 PolarHBondContact O-N 2.93Å; Y29-K31 PolarHBondContact O-N 2.83Å; K31-L34 PolarHBondContact O-N 3.01Å; K31-R35 PolarHBondContact O-N 3.49Å
32Q86.8Confident74.9Confident128 Ų128124.1 Ų124.160%0.59862%0.62SS**Hα-helixtrans-66-45.8175.8-170.6127.2-16.900111.8S28 Y29 A30 L34 R35 T36S28-Q32 WeakPolarHBondContact O-CB 3.48Å; S28-Q32 PolarHBondContact O-N 2.72Å; Y29-Q32 WeakPolarHBondContact O-CB 3.16Å; Y29-Q32 PolarHBondContact O-N 3.45Å; A30-Q32 VanDerWaalsContact C-N 3.3Å; A30-Q32 PolarHBondContact O-N 3.18Å; Q32-L34 VanDerWaalsContact C-N 3.34Å; Q32-L34 PolarHBondContact O-N 3.38Å; Q32-R35 PolarHBondContact O-N 2.95Å; Q32-T36 PolarHBondContact O-N 3.2Å
33L84.1Confident75.7Confident72 Ų72123.9 Ų123.938%0.37761%0.614SS.*Hα-helixtrans-61.4-40.9175-75172.1000112.3Y29 A30 R35 T36 K37Y29-L33 HydrophobicContact CD1-CD1 3.77Å; Y29-L33 HydrophobicContact CD1-CG 4.31Å; Y29-L33 HydrophobicContact CE1-CD1 3.49Å; Y29-L33 VanDerWaalsContact CE1-CD1 3.49Å; Y29-L33 HydrophobicContact CE1-CG 4.06Å; Y29-L33 WeakPolarHBondContact O-CG 3.48Å; Y29-L33 PolarHBondContact O-N 3.49Å; A30-L33 PolarHBondContact O-N 3.23Å; L33-R35 VanDerWaalsContact C-N 3.32Å; L33-R35 PolarHBondContact O-N 3.32Å; L33-T36 PolarHBondContact O-N 3.47Å; L33-T36 PolarHBondContact O-OG1 3.11Å; L33-K37 WeakPolarHBondContact O-CG 3.28Å; L33-K37 PolarHBondContact O-N 3.03Å
34L82.4Confident76.2Confident110 Ų110122.7 Ų122.758%0.57661%0.607SS**Hα-helixtrans-67.5-32.8177.2-68.8171.8000112.2A30 K31 Q32 K37 R38A30-L34 VanDerWaalsContact O-CG 3.28Å; A30-L34 WeakPolarHBondContact O-CG 3.39Å; A30-L34 PolarHBondContact O-N 3.46Å; K31-L34 PolarHBondContact O-N 3.01Å; Q32-L34 VanDerWaalsContact C-N 3.34Å; Q32-L34 PolarHBondContact O-N 3.38Å; L34-K37 PolarHBondContact O-N 3.47Å; L34-R38 WeakPolarHBondContact O-CG 3.43Å; L34-R38 PolarHBondContact O-N 3.49Å; L34-R38 VanDerWaalsContact O-N 3.11Å
35R80.4Confident76.7Confident191 Ų191120.2 Ų120.272%0.72160%0.595SS**Hα-helixtrans-66.4-39.8174.2-90-178.1174.4154.3-2.5112.8K31 Q32 L33 K37K31-R35 PolarHBondContact O-N 3.49Å; Q32-R35 PolarHBondContact O-N 2.95Å; L33-R35 VanDerWaalsContact C-N 3.32Å; L33-R35 PolarHBondContact O-N 3.32Å; R35-K37 VanDerWaalsContact C-N 3.28Å; R35-K37 PolarHBondContact O-N 2.93Å
36T78.1Confident77.2Confident104 Ų104119.3 Ų119.364%0.63859%0.589SS**Hα-helixtrans-73-23.817958.60000112.7Q32 L33Q32-T36 PolarHBondContact O-N 3.2Å; L33-T36 PolarHBondContact O-N 3.47Å; L33-T36 PolarHBondContact O-OG1 3.11Å
37K71.6Confident77.3Confident174 Ų174115.9 Ų115.976%0.75758%0.583SS**Hα-helixtrans-92-10177.5-66.8-66.4-172.2-179.50114.5L33 L34 R35 Q39L33-K37 WeakPolarHBondContact O-CG 3.28Å; L33-K37 PolarHBondContact O-N 3.03Å; L34-K37 PolarHBondContact O-N 3.47Å; R35-K37 VanDerWaalsContact C-N 3.28Å; R35-K37 PolarHBondContact O-N 2.93Å; K37-Q39 PolarHBondContact O-N 3.28Å
38R68.4Low77.6Confident189 Ų189115.1 Ų115.171%0.71358%0.581SS**SBendtrans-67122.6173.4-86.7177.2-169.6179.11.7109.3L34 K40L34-R38 WeakPolarHBondContact O-CG 3.43Å; L34-R38 PolarHBondContact O-N 3.49Å; L34-R38 VanDerWaalsContact O-N 3.11Å; R38-K40 PolarHBondContact O-N 3.48Å
39Q66.1Low77.7Confident139 Ų139118.2 Ų118.265%0.6558%0.58SS**PPolyproline II helixtrans-58.4135.9162.6-158.6162.111.500107.7K37K37-Q39 PolarHBondContact O-N 3.28Å
40K70.9Confident77.8Confident184 Ų184117.6 Ų117.680%0.858%0.582SS**PPolyproline II helixtrans-54.8142.1176.4-72.6-178.5179.3177.80108.5R38 G42R38-K40 PolarHBondContact O-N 3.48Å; K40-G42 PolarHBondContact O-N 2.81Å
41P66Low78Confident138 Ų138120.7 Ų120.790%0.89659%0.59SS**SBendtrans-56.4126.6172.823.8-31.8000109
42G68.7Low78.3Confident52 Ų52120.1 Ų120.154%0.53659%0.592SS.*SBendtrans148.4165.8-171.900000110.8K40K40-G42 PolarHBondContact O-N 2.81Å
43H73.4Confident78.6Confident119 Ų119118.2 Ų118.255%0.55159%0.586SS**  trans-66.4142.2172.5-163.755.7000109.4D45 E46H43-D45 IonicContact NE2-OD2 3.67Å; H43-D45 PolarHBondContact O-N 3.22Å; H43-E46 HydrophobicContact CB-CB 4.36Å; H43-E46 WeakPolarHBondContact CB-OE2 3.39Å; H43-E46 PolarHBondContact N-OE2 3Å; H43-E46 VanDerWaalsContact O-CB 3.24Å; H43-E46 WeakPolarHBondContact O-CB 3.46Å; H43-E46 PolarHBondContact O-N 2.98Å
44P73.1Confident78.9Confident74 Ų74120 Ų12048%0.48159%0.592SS.*THydrogen-bonded Turntrans-52.6-32.3178.2-26.435.1000112.9
45D76.9Confident79.4Confident99 Ų99118.5 Ų118.553%0.52958%0.583SS.*THydrogen-bonded Turntrans-94.7-0.2-176.8-53.5-31000113.6H43 P47 M48 R49H43-D45 IonicContact NE2-OD2 3.67Å; H43-D45 PolarHBondContact O-N 3.22Å; D45-P47 VanDerWaalsContact C-CD 3.46Å; D45-M48 PolarHBondContact O-N 3.04Å; D45-M48 VanDerWaalsContact O-N 3.08Å; D45-R49 WeakPolarHBondContact O-CB 3.42Å; D45-R49 PolarHBondContact O-N 3.06Å
46E78.4Confident80Confident65 Ų65115.4 Ų115.430%0.30458%0.576SS.*Hα-helixtrans-49.4-47.7177.7-149.2102.3-13000113.4H43 M48 R49 E50H43-E46 HydrophobicContact CB-CB 4.36Å; H43-E46 WeakPolarHBondContact CB-OE2 3.39Å; H43-E46 PolarHBondContact N-OE2 3Å; H43-E46 VanDerWaalsContact O-CB 3.24Å; H43-E46 WeakPolarHBondContact O-CB 3.46Å; H43-E46 PolarHBondContact O-N 2.98Å; E46-M48 VanDerWaalsContact C-N 3.32Å; E46-M48 PolarHBondContact O-N 3.16Å; E46-R49 PolarHBondContact O-N 3.22Å; E46-R49 IonicContact OE1-NH1 3.71Å; E46-E50 WeakPolarHBondContact O-CG 3.49Å; E46-E50 PolarHBondContact O-N 2.99Å
47P80.1Confident80.7Confident90 Ų90113.4 Ų113.458%0.58456%0.564SS**Hα-helixtrans-66.7-34.2179.625.6-34.2000112.8D45 H51D45-P47 VanDerWaalsContact C-CD 3.46Å; P47-H51 WeakPolarHBondContact O-CB 3.24Å; P47-H51 PolarHBondContact O-N 2.88Å; P47-H51 VanDerWaalsContact O-N 3.16Å
48M84.3Confident81.3Confident115 Ų115108.5 Ų108.557%0.56755%0.546SS*.Hα-helixtrans-70.3-42.6176.3-175.161.878.800110.4D45 E46 H51 L52D45-M48 PolarHBondContact O-N 3.04Å; D45-M48 VanDerWaalsContact O-N 3.08Å; E46-M48 VanDerWaalsContact C-N 3.32Å; E46-M48 PolarHBondContact O-N 3.16Å; M48-H51 PolarHBondContact O-N 3.36Å; M48-L52 HydrophobicContact CG-CD1 4.11Å; M48-L52 HydrophobicContact CG-CG 4.48Å; M48-L52 VanDerWaalsContact O-CG 3.3Å; M48-L52 WeakPolarHBondContact O-CG 3.22Å; M48-L52 PolarHBondContact O-N 3.27Å
49R86.1Confident82.3Confident149 Ų149104.2 Ų104.256%0.56254%0.537SS*.Hα-helixtrans-60.8-46.7177.6-177.7-177.2176.3-139.1-0.6111.7D45 E46 H51 L52 L53D45-R49 WeakPolarHBondContact O-CB 3.42Å; D45-R49 PolarHBondContact O-N 3.06Å; E46-R49 PolarHBondContact O-N 3.22Å; E46-R49 IonicContact OE1-NH1 3.71Å; R49-H51 VanDerWaalsContact C-N 3.33Å; R49-H51 PolarHBondContact O-N 3.41Å; R49-L52 PolarHBondContact O-N 2.93Å; R49-L53 HydrophobicContact CG-CD1 4.29Å; R49-L53 WeakPolarHBondContact O-CG 3.3Å; R49-L53 PolarHBondContact O-N 3.48Å
50E85.6Confident83.2Confident127 Ų127102.6 Ų102.659%0.59353%0.53SS*.Hα-helixtrans-61.2-42176.5-73178.217600111.8E46 L53 H54E46-E50 WeakPolarHBondContact O-CG 3.49Å; E46-E50 PolarHBondContact O-N 2.99Å; E50-L53 PolarHBondContact O-N 2.82Å; E50-H54 PolarHBondContact O-N 3.31Å
51H90Very high83.7Confident100 Ų100101 Ų10146%0.46352%0.519SS..Hα-helixtrans-62.6-46.1176.2-178.763.9000112.2P47 M48 R49 L53 H54 M55P47-H51 WeakPolarHBondContact O-CB 3.24Å; P47-H51 PolarHBondContact O-N 2.88Å; P47-H51 VanDerWaalsContact O-N 3.16Å; M48-H51 PolarHBondContact O-N 3.36Å; R49-H51 VanDerWaalsContact C-N 3.33Å; R49-H51 PolarHBondContact O-N 3.41Å; H51-L53 PolarHBondContact O-N 3.39Å; H51-H54 WeakPolarHBondContact O-CB 3.37Å; H51-H54 PolarHBondContact O-N 3.02Å; H51-M55 WeakPolarHBondContact O-CG 3.32Å; H51-M55 PolarHBondContact O-N 3.39Å
52L91.9Very high84.4Confident104 Ų10497 Ų9755%0.54550%0.497SS..Hα-helixtrans-62.7-41.8178.4-71.5171.1000112.1M48 R49 H54 M55 Q56M48-L52 HydrophobicContact CG-CD1 4.11Å; M48-L52 HydrophobicContact CG-CG 4.48Å; M48-L52 VanDerWaalsContact O-CG 3.3Å; M48-L52 WeakPolarHBondContact O-CG 3.22Å; M48-L52 PolarHBondContact O-N 3.27Å; R49-L52 PolarHBondContact O-N 2.93Å; L52-H54 VanDerWaalsContact C-N 3.3Å; L52-H54 PolarHBondContact O-N 2.91Å; L52-M55 PolarHBondContact O-N 2.94Å; L52-Q56 WeakPolarHBondContact O-CB 3.38Å; L52-Q56 PolarHBondContact O-N 3.19Å
53L93.6Very high85Confident88 Ų88100.7 Ų100.746%0.46150%0.5SS..Hα-helixtrans-61.3-40.1174.7-72.7170.3000111.6R49 E50 H51 Q56 V57R49-L53 HydrophobicContact CG-CD1 4.29Å; R49-L53 WeakPolarHBondContact O-CG 3.3Å; R49-L53 PolarHBondContact O-N 3.48Å; E50-L53 PolarHBondContact O-N 2.82Å; H51-L53 PolarHBondContact O-N 3.39Å; L53-Q56 PolarHBondContact O-N 3.08Å; L53-V57 WeakPolarHBondContact O-CG2 3.3Å; L53-V57 PolarHBondContact O-N 3.31Å
54H91.6Very high85.2Confident110 Ų11099.3 Ų99.351%0.50949%0.494SS..Hα-helixtrans-64-46175.5-177.461.5000112E50 H51 L52 Q56 V57 L58E50-H54 PolarHBondContact O-N 3.31Å; H51-H54 WeakPolarHBondContact O-CB 3.37Å; H51-H54 PolarHBondContact O-N 3.02Å; L52-H54 VanDerWaalsContact C-N 3.3Å; L52-H54 PolarHBondContact O-N 2.91Å; H54-Q56 VanDerWaalsContact C-N 3.28Å; H54-Q56 PolarHBondContact O-N 2.94Å; H54-V57 PolarHBondContact O-N 3.16Å; H54-L58 PolarHBondContact O-N 3.23Å; H54-L58 VanDerWaalsContact O-N 3.16Å
55M91.6Very high85Confident77 Ų7798.5 Ų98.538%0.37949%0.488SS..Hα-helixtrans-59.1-41176.5-68.9-55.9-61.600111.6H51 L52 V57 L58 D59H51-M55 WeakPolarHBondContact O-CG 3.32Å; H51-M55 PolarHBondContact O-N 3.39Å; L52-M55 PolarHBondContact O-N 2.94Å; M55-V57 VanDerWaalsContact C-N 3.34Å; M55-V57 PolarHBondContact O-N 3.44Å; M55-L58 WeakPolarHBondContact O-CB 3.44Å; M55-L58 PolarHBondContact O-N 3.47Å; M55-L58 VanDerWaalsContact O-N 3.14Å; M55-L58 HydrophobicContact SD-CD1 4.27Å; M55-D59 PolarHBondContact O-N 3.29Å
56Q93.9Very high84.9Confident126 Ų12698 Ų9859%0.58949%0.485SS*.Hα-helixtrans-61.3-40178.1-171.4176.90.700112.7L52 L53 H54 L58 D59 Q60L52-Q56 WeakPolarHBondContact O-CB 3.38Å; L52-Q56 PolarHBondContact O-N 3.19Å; L53-Q56 PolarHBondContact O-N 3.08Å; H54-Q56 VanDerWaalsContact C-N 3.28Å; H54-Q56 PolarHBondContact O-N 2.94Å; Q56-L58 VanDerWaalsContact C-N 3.34Å; Q56-D59 PolarHBondContact O-N 3.03Å; Q56-Q60 PolarHBondContact O-N 3.45Å
57V91.3Very high84.5Confident63 Ų63100 Ų10038%0.38250%0.498SS..Hα-helixtrans-65.7-38.5175.6172.10000111.3L53 H54 M55 Q60 R61L53-V57 WeakPolarHBondContact O-CG2 3.3Å; L53-V57 PolarHBondContact O-N 3.31Å; H54-V57 PolarHBondContact O-N 3.16Å; M55-V57 VanDerWaalsContact C-N 3.34Å; M55-V57 PolarHBondContact O-N 3.44Å; V57-Q60 PolarHBondContact O-N 2.91Å; V57-R61 WeakPolarHBondContact O-CG 3.41Å; V57-R61 PolarHBondContact O-N 3.17Å; V57-R61 VanDerWaalsContact O-N 3.07Å
58L85.8Confident83.9Confident71 Ų7198.6 Ų98.637%0.37248%0.483SS..Hα-helixtrans-66-42.9176.8-66.8177.1000111.7H54 M55 Q56 Q60 R61 A62H54-L58 PolarHBondContact O-N 3.23Å; H54-L58 VanDerWaalsContact O-N 3.16Å; M55-L58 WeakPolarHBondContact O-CB 3.44Å; M55-L58 PolarHBondContact O-N 3.47Å; M55-L58 VanDerWaalsContact O-N 3.14Å; M55-L58 HydrophobicContact SD-CD1 4.27Å; Q56-L58 VanDerWaalsContact C-N 3.34Å; L58-Q60 VanDerWaalsContact C-N 3.35Å; L58-R61 PolarHBondContact O-N 3.07Å; L58-A62 WeakPolarHBondContact O-CB 3.48Å; L58-A62 PolarHBondContact O-N 3.49Å
59D87.9Confident83Confident99 Ų9997.1 Ų97.153%0.52948%0.475SS..Hα-helixtrans-62.1-43.1176.4-81.8-11.8000111.5M55 Q56 R61 A62 Q63M55-D59 PolarHBondContact O-N 3.29Å; Q56-D59 PolarHBondContact O-N 3.03Å; D59-R61 PolarHBondContact O-N 3.47Å; D59-A62 PolarHBondContact O-N 3.01Å; D59-Q63 WeakPolarHBondContact O-CG 3.33Å; D59-Q63 PolarHBondContact O-N 3.14Å
60Q86.2Confident81.9Confident105 Ų10599.4 Ų99.449%0.49148%0.483SS..Hα-helixtrans-59.7-46.8175.8-175.6179.5-14.500111.2Q56 V57 L58 A62 Q63 E64Q56-Q60 PolarHBondContact O-N 3.45Å; V57-Q60 PolarHBondContact O-N 2.91Å; L58-Q60 VanDerWaalsContact C-N 3.35Å; Q60-A62 VanDerWaalsContact C-N 3.31Å; Q60-A62 PolarHBondContact O-N 3.29Å; Q60-Q63 PolarHBondContact O-N 2.71Å; Q60-E64 WeakPolarHBondContact CG-OE1 3.48Å; Q60-E64 PolarHBondContact NE2-OE1 3.41Å; Q60-E64 WeakPolarHBondContact O-CG 3.33Å; Q60-E64 PolarHBondContact O-N 3.39Å
61R82.1Confident80.9Confident151 Ų151100.7 Ų100.757%0.5749%0.493SS*.Hα-helixtrans-61.9-38.7176.5-72-178-161.9-174.34.3112.3V57 L58 D59 Q63 E64 T65V57-R61 WeakPolarHBondContact O-CG 3.41Å; V57-R61 PolarHBondContact O-N 3.17Å; V57-R61 VanDerWaalsContact O-N 3.07Å; L58-R61 PolarHBondContact O-N 3.07Å; D59-R61 PolarHBondContact O-N 3.47Å; R61-Q63 VanDerWaalsContact C-N 3.32Å; R61-E64 PolarHBondContact O-N 3.44Å; R61-T65 WeakPolarHBondContact O-CG2 3.32Å; R61-T65 PolarHBondContact O-N 3.29Å; R61-T65 PolarHBondContact O-OG1 3.36Å
62A80.2Confident79.5Confident53 Ų5399.2 Ų99.244%0.43849%0.489SS..Hα-helixtrans-65.8-35.8177.300000112.1L58 D59 Q60 T65 N66L58-A62 WeakPolarHBondContact O-CB 3.48Å; L58-A62 PolarHBondContact O-N 3.49Å; D59-A62 PolarHBondContact O-N 3.01Å; Q60-A62 VanDerWaalsContact C-N 3.31Å; Q60-A62 PolarHBondContact O-N 3.29Å; A62-T65 PolarHBondContact O-OG1 2.95Å; A62-T65 VanDerWaalsContact O-OG1 3.1Å; A62-N66 WeakPolarHBondContact O-CB 3.37Å; A62-N66 PolarHBondContact O-N 3.15Å
63Q81.6Confident78.1Confident129 Ų12999 Ų9960%0.60349%0.494SS*.Hα-helixtrans-68.2-43.6173.6-71.3178.20.900111.8D59 Q60 R61 N66 L67D59-Q63 WeakPolarHBondContact O-CG 3.33Å; D59-Q63 PolarHBondContact O-N 3.14Å; Q60-Q63 PolarHBondContact O-N 2.71Å; R61-Q63 VanDerWaalsContact C-N 3.32Å; Q63-N66 PolarHBondContact O-N 3.1Å; Q63-L67 WeakPolarHBondContact O-CB 3.48Å; Q63-L67 VanDerWaalsContact O-CG 3.3Å; Q63-L67 WeakPolarHBondContact O-CG 3.48Å; Q63-L67 PolarHBondContact O-N 3.22Å
64E77.7Confident76.7Confident90 Ų90102.5 Ų102.542%0.42151%0.508SS..Hα-helixtrans-59.9-49.4176.8-71.6168.8-176.700111Q60 R61 N66 L67 E68Q60-E64 WeakPolarHBondContact CG-OE1 3.48Å; Q60-E64 PolarHBondContact NE2-OE1 3.41Å; Q60-E64 WeakPolarHBondContact O-CG 3.33Å; Q60-E64 PolarHBondContact O-N 3.39Å; R61-E64 PolarHBondContact O-N 3.44Å; E64-N66 VanDerWaalsContact C-N 3.34Å; E64-N66 PolarHBondContact O-N 2.94Å; E64-L67 PolarHBondContact O-N 2.94Å; E64-E68 VanDerWaalsContact O-CG 3.32Å; E64-E68 WeakPolarHBondContact O-CG 3.45Å; E64-E68 PolarHBondContact O-N 3.32Å
65T68.8Low75.2Confident58 Ų5898.7 Ų98.736%0.35649%0.493SS..Hα-helixtrans-66-35.6178.557.50000112.9R61 A62 H69R61-T65 WeakPolarHBondContact O-CG2 3.32Å; R61-T65 PolarHBondContact O-N 3.29Å; R61-T65 PolarHBondContact O-OG1 3.36Å; A62-T65 PolarHBondContact O-OG1 2.95Å; A62-T65 VanDerWaalsContact O-OG1 3.1Å; T65-H69 WeakPolarHBondContact O-CB 3.45Å; T65-H69 PolarHBondContact O-N 3.3Å
66N73.4Confident73.6Confident87 Ų87104 Ų10447%0.46551%0.51SS..Hα-helixtrans-64.4-48.8174.8-168.7-6.2000110.4A62 Q63 E64 E68 H69 W70A62-N66 WeakPolarHBondContact O-CB 3.37Å; A62-N66 PolarHBondContact O-N 3.15Å; Q63-N66 PolarHBondContact O-N 3.1Å; E64-N66 VanDerWaalsContact C-N 3.34Å; E64-N66 PolarHBondContact O-N 2.94Å; N66-E68 VanDerWaalsContact C-N 3.33Å; N66-E68 PolarHBondContact O-N 3.4Å; N66-H69 WeakPolarHBondContact O-CB 3.44Å; N66-H69 PolarHBondContact O-N 3.42Å; N66-H69 VanDerWaalsContact O-N 3.15Å; N66-W70 PolarHBondContact O-N 2.95Å; N66-W70 PolarHBondContact OD1-NE1 2.92Å
67L70.4Confident71.8Confident109 Ų109102.7 Ų102.757%0.57151%0.512SS*.Hα-helixtrans-59.9-41176.6-73.2169000112.4Q63 E64 H69 W70 L71Q63-L67 WeakPolarHBondContact O-CB 3.48Å; Q63-L67 VanDerWaalsContact O-CG 3.3Å; Q63-L67 WeakPolarHBondContact O-CG 3.48Å; Q63-L67 PolarHBondContact O-N 3.22Å; E64-L67 PolarHBondContact O-N 2.94Å; L67-H69 VanDerWaalsContact C-N 3.34Å; L67-H69 PolarHBondContact O-N 2.93Å; L67-W70 PolarHBondContact O-N 3.38Å; L67-L71 WeakPolarHBondContact O-CB 3.18Å; L67-L71 WeakPolarHBondContact O-CG 3.3Å; L67-L71 PolarHBondContact O-N 2.96Å
68E67.8Low70.1Confident60 Ų60110.8 Ų110.828%0.2854%0.536SS..Hα-helixtrans-62.6-39.4175.3-73.4179.4159.800112.3E64 N66 L71 N72E64-E68 VanDerWaalsContact O-CG 3.32Å; E64-E68 WeakPolarHBondContact O-CG 3.45Å; E64-E68 PolarHBondContact O-N 3.32Å; N66-E68 VanDerWaalsContact C-N 3.33Å; N66-E68 PolarHBondContact O-N 3.4Å; E68-L71 PolarHBondContact O-N 2.84Å; E68-N72 PolarHBondContact O-N 2.93Å
69H65Low68.6Low84 Ų84109.6 Ų109.639%0.38953%0.533SS..Hα-helixtrans-65.8-39.8174.1-178.269.6000112.5T65 N66 L67 N72 C75T65-H69 WeakPolarHBondContact O-CB 3.45Å; T65-H69 PolarHBondContact O-N 3.3Å; N66-H69 WeakPolarHBondContact O-CB 3.44Å; N66-H69 PolarHBondContact O-N 3.42Å; N66-H69 VanDerWaalsContact O-N 3.15Å; L67-H69 VanDerWaalsContact C-N 3.34Å; L67-H69 PolarHBondContact O-N 2.93Å; H69-N72 CarbonylContact O-C 3.21Å; H69-N72 PolarHBondContact O-N 3.2Å; H69-N72 VanDerWaalsContact O-O 3.13Å; H69-C75 PolarHBondContact ND1-O 3.01Å
70W62.7Low67Low197 Ų197108.3 Ų108.375%0.74653%0.526SS*.Hα-helixtrans-65.1-38.5175.4-83.298.7000112.8N66 L67N66-W70 PolarHBondContact O-N 2.95Å; N66-W70 PolarHBondContact OD1-NE1 2.92Å; L67-W70 PolarHBondContact O-N 3.38Å
71L65.8Low65.3Low153 Ų153113.3 Ų113.380%0.80154%0.541SS*.Hα-helixtrans-79.2-19.6-178.7-69.9167.5000113L67 E68L67-L71 WeakPolarHBondContact O-CB 3.18Å; L67-L71 WeakPolarHBondContact O-CG 3.3Å; L67-L71 PolarHBondContact O-N 2.96Å; E68-L71 PolarHBondContact O-N 2.84Å
72N59.3Low63.9Low69 Ų69112.7 Ų112.737%0.36955%0.549SS..  trans-143.398.5173.5-175.43.6000110.8E68 H69 H74 C75E68-N72 PolarHBondContact O-N 2.93Å; H69-N72 CarbonylContact O-C 3.21Å; H69-N72 PolarHBondContact O-N 3.2Å; H69-N72 VanDerWaalsContact O-O 3.13Å; N72-H74 PolarHBondContact O-N 3.2Å; N72-H74 PolarHBondContact OD1-N 3.39Å; N72-C75 HydrophobicContact CB-CB 4.24Å; N72-C75 PolarHBondContact ND2-SG 3.49Å; N72-C75 VanDerWaalsContact ND2-SG 3.36Å; N72-C75 WeakPolarHBondContact O-CB 3.43Å; N72-C75 PolarHBondContact O-N 3.15Å
73P63Low62.3Low101 Ų101119.8 Ų119.866%0.65657%0.565SS**THydrogen-bonded Turntrans-60.3-16.1-179.6-23.833.2000114.8
74H64.8Low60.5Low161 Ų161116.2 Ų116.275%0.74556%0.564SS**THydrogen-bonded Turntrans-87.3-7.2174.9-63.5-67.3000113.4N72 Y76N72-H74 PolarHBondContact O-N 3.2Å; N72-H74 PolarHBondContact OD1-N 3.39Å; H74-Y76 PolarHBondContact O-N 3.45Å
75C59Low58.5Low29 Ų29120.4 Ų120.420%0.19658%0.583CS.*SBendtrans-78.9112.5171.1-86.40000109.8H69 N72 C79H69-C75 PolarHBondContact ND1-O 3.01Å; N72-C75 HydrophobicContact CB-CB 4.24Å; N72-C75 PolarHBondContact ND2-SG 3.49Å; N72-C75 VanDerWaalsContact ND2-SG 3.36Å; N72-C75 WeakPolarHBondContact O-CB 3.43Å; N72-C75 PolarHBondContact O-N 3.15Å; C75-C79 VanDerWaalsContact CA-SG 3.51Å; C75-C79 HydrophobicContact CB-CB 3.69Å; C75-C79 VanDerWaalsContact SG-CB 3.55Å
76Y59Low57.2Low190 Ų190123.5 Ų123.575%0.74560%0.604SS**  trans-62.7157168.9-77.2-80.6000110.6H74 R78 C79H74-Y76 PolarHBondContact O-N 3.45Å; Y76-R78 PolarHBondContact O-N 3.06Å; Y76-C79 PolarHBondContact N-SG 2.95Å; Y76-C79 WeakPolarHBondContact O-CB 3.4Å; Y76-C79 PolarHBondContact O-N 3.39Å; Y76-C79 PolarHBondContact O-SG 2.9Å; Y76-C79 VanDerWaalsContact O-SG 3.41Å
77P56.3Low55.8Low98 Ų98129.4 Ų129.464%0.63664%0.643SS**THydrogen-bonded Turntrans-62.98.9-170.822.2-33.5000116.5
78R55.2Low55.1Low232 Ų232130.5 Ų130.588%0.87565%0.646SS**THydrogen-bonded Turntrans-134.130.5173-63.6-162-65.8-113.71.3112.6Y76 D80Y76-R78 PolarHBondContact O-N 3.06Å; R78-D80 VanDerWaalsContact C-N 3.25Å; R78-D80 PolarHBondContact O-N 3.37Å
79C53.6Low54.4Low47 Ų47134.2 Ų134.232%0.31867%0.666SS.*  trans-74.383172.8-79.80000109.4C75 Y76 R81C75-C79 VanDerWaalsContact CA-SG 3.51Å; C75-C79 HydrophobicContact CB-CB 3.69Å; C75-C79 VanDerWaalsContact SG-CB 3.55Å; Y76-C79 PolarHBondContact N-SG 2.95Å; Y76-C79 WeakPolarHBondContact O-CB 3.4Å; Y76-C79 PolarHBondContact O-N 3.39Å; Y76-C79 PolarHBondContact O-SG 2.9Å; Y76-C79 VanDerWaalsContact O-SG 3.41Å; C79-R81 PolarHBondContact O-N 3.03Å; C79-R81 VanDerWaalsContact O-N 3.17Å
80D54.6Low53.8Low71 Ų71136.9 Ų136.938%0.3868%0.681SS.*  trans-62.6116.3167.1-173.8-19.2000108.2R78 N82 Y83 G84R78-D80 VanDerWaalsContact C-N 3.25Å; R78-D80 PolarHBondContact O-N 3.37Å; D80-N82 PolarHBondContact O-N 2.94Å; D80-N82 VanDerWaalsContact OD1-CB 3.3Å; D80-N82 WeakPolarHBondContact OD1-CB 3.49Å; D80-N82 PolarHBondContact OD1-N 2.87Å; D80-N82 PolarHBondContact OD1-ND2 3Å; D80-Y83 HydrophobicContact CB-CD2 4.27Å; D80-Y83 PolarHBondContact O-N 2.95Å; D80-Y83 VanDerWaalsContact OD2-CD2 3.22Å; D80-Y83 WeakPolarHBondContact OD2-CD2 3.34Å; D80-G84 PolarHBondContact O-N 3.47Å
81R50.2Low53.3Low211 Ų211133.4 Ų133.480%0.79668%0.677SS**THydrogen-bonded Turntrans-55-18.4176.3-164.2172.8113.2-178.63.3113.1C79C79-R81 PolarHBondContact O-N 3.03Å; C79-R81 VanDerWaalsContact O-N 3.17Å
82N52.9Low52.5Low138 Ų138132.2 Ų132.274%0.73867%0.67SS**THydrogen-bonded Turntrans-93.2-11.6176.2-52.7-65.9000114.5D80D80-N82 PolarHBondContact O-N 2.94Å; D80-N82 VanDerWaalsContact OD1-CB 3.3Å; D80-N82 WeakPolarHBondContact OD1-CB 3.49Å; D80-N82 PolarHBondContact OD1-N 2.87Å; D80-N82 PolarHBondContact OD1-ND2 3Å
83Y47.6Very low52.1Low201 Ų201136.4 Ų136.479%0.78869%0.69SS**THydrogen-bonded Turntrans-121.6-2.2-179.8-76.7-95.2000114.3D80 H85D80-Y83 HydrophobicContact CB-CD2 4.27Å; D80-Y83 PolarHBondContact O-N 2.95Å; D80-Y83 VanDerWaalsContact OD2-CD2 3.22Å; D80-Y83 WeakPolarHBondContact OD2-CD2 3.34Å; Y83-H85 PolarHBondContact O-N 3Å
84G44.5Very low51.3Low55 Ų55138.9 Ų138.957%0.56769%0.692SS**  trans-71.3113.5171.200000111.1D80D80-G84 PolarHBondContact O-N 3.47Å
85H35.8Very low50.3Low177 Ų177137.2 Ų137.282%0.81969%0.688SS**  trans-53.2131.5167.6-101.4-58.1000109.5Y83 V87Y83-H85 PolarHBondContact O-N 3Å; H85-V87 PolarHBondContact O-N 3.28Å
86P40.8Very low49.5Very low123 Ų123146.3 Ų146.380%0.79973%0.729SS**  trans-65.1127.1173.327.8-31.8000108.3
87V44Very low48.7Very low212 Ų212142.3 Ų142.3100%1.28573%0.727SS**  trans-103.40163.4-162.40000107.4H85H85-V87 PolarHBondContact O-N 3.28Å

Retrieved 87 of 87 residues in 17.9 ms (Link to these results)