YH218_YEAST Loading...

Putative uncharacterized helicase-like protein YHR218W-A

AlphaFold DB (Q3E7Y4), UniProt , Accession A0A023PXF5, Species YEAST (Saccharomyces cerevisiae (strain ATCC 204508 / S288c), Baker's yeast), Gene n/a, Length 105 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
1M73.6Confident80.1Confident222 Ų222111.2 Ų111.2100%1.09461%0.606SS**  0122.80-175.3172.276.900107.8V3M1-V3 HydrophobicContact CE-CG2 3.89Å; M1-V3 HydrophobicContact CG-CG2 4.18Å
2Q82.9Confident79.5Confident198 Ų198112.6 Ų112.693%0.92561%0.605SS**  trans-98.9131.7175.6-70.3178.4-26.300108.4
3V85.9Confident78.9Confident100 Ų100109.5 Ų109.561%0.60662%0.616SS**  trans-127.1129.1-179.5-175.80000107.7M1 I5M1-V3 HydrophobicContact CE-CG2 3.89Å; M1-V3 HydrophobicContact CG-CG2 4.18Å; V3-I5 HydrophobicContact CG1-CD1 4.34Å; V3-I5 HydrophobicContact CG1-CG1 3.82Å
4L86.2Confident78.7Confident111 Ų111104 Ų10458%0.58158%0.584SS**  trans-106.8122171.1-177.163.7000108V10 I14L4-V10 HydrophobicContact CD1-CG1 4.37Å; L4-V10 HydrophobicContact CD2-CG1 3.47Å; L4-V10 VanDerWaalsContact CD2-CG1 3.47Å; L4-V10 HydrophobicContact CG-CG1 3.65Å; L4-I14 HydrophobicContact CD2-CD1 4.01Å
5I86.7Confident78.8Confident152 Ų152105.7 Ų105.778%0.77959%0.591SS**  trans-115.1133.1179.1-55.5178.4000107.7V3V3-I5 HydrophobicContact CG1-CD1 4.34Å; V3-I5 HydrophobicContact CG1-CG1 3.82Å
6G85Confident79Confident52 Ų52104.1 Ų104.154%0.53658%0.58SS.*  trans-176.7-168.9167.600000113
7T83.2Confident79Confident98 Ų98108.1 Ų108.160%0.60159%0.59SS**  trans-75176177.765.20000110.4L9 V10T7-L9 PolarHBondContact O-N 3.04Å; T7-V10 WeakPolarHBondContact O-CB 3.4Å; T7-V10 PolarHBondContact O-N 2.82Å
8K73.7Confident79.3Confident75 Ų75111.1 Ų111.133%0.32660%0.599SS.*G310 helixtrans-48.5-34.9174.4-177.6175.7170.2-177.60113.4V10 T11 L29 E33K8-V10 PolarHBondContact O-N 3.01Å; K8-T11 WeakPolarHBondContact O-CB 3.5Å; K8-T11 PolarHBondContact O-N 2.78Å; K8-T11 PolarHBondContact O-OG1 2.66Å; K8-L29 HydrophobicContact CD-CD2 4.22Å; K8-E33 IonicContact NZ-OE1 3.78Å; K8-E33 PolarHBondContact NZ-OE1 3.41Å; K8-E33 IonicContact NZ-OE2 2.82Å; K8-E33 PolarHBondContact NZ-OE2 3.24Å
9L76.6Confident79.6Confident113 Ų113106.6 Ų106.659%0.59258%0.575SS**G310 helixtrans-62.1-27.2178.4-62.9178.1000113.3T7 T11 E12T7-L9 PolarHBondContact O-N 3.04Å; L9-T11 PolarHBondContact O-N 3.24Å; L9-E12 WeakPolarHBondContact CD2-OE1 3.32Å; L9-E12 WeakPolarHBondContact O-CB 3.46Å; L9-E12 PolarHBondContact O-N 3.13Å
10V76Confident79.9Confident51 Ų51106.3 Ų106.331%0.30957%0.57SS.*G310 helixtrans-61-28.8175.4163.90000111L4 T7 K8 E12 I14L4-V10 HydrophobicContact CD1-CG1 4.37Å; L4-V10 HydrophobicContact CD2-CG1 3.47Å; L4-V10 VanDerWaalsContact CD2-CG1 3.47Å; L4-V10 HydrophobicContact CG-CG1 3.65Å; T7-V10 WeakPolarHBondContact O-CB 3.4Å; T7-V10 PolarHBondContact O-N 2.82Å; K8-V10 PolarHBondContact O-N 3.01Å; V10-E12 VanDerWaalsContact C-N 3.29Å; V10-E12 PolarHBondContact O-N 3.28Å; V10-I14 HydrophobicContact CG1-CD1 4.08Å; V10-I14 WeakPolarHBondContact O-CD1 3.5Å; V10-I14 WeakPolarHBondContact O-CG1 3.46Å
11T71.5Confident80.3Confident51 Ų51105.8 Ų105.831%0.31357%0.566SS.*G310 helixtrans-73.7-18176.369.10000113.8K8 L9 G13 R40K8-T11 WeakPolarHBondContact O-CB 3.5Å; K8-T11 PolarHBondContact O-N 2.78Å; K8-T11 PolarHBondContact O-OG1 2.66Å; L9-T11 PolarHBondContact O-N 3.24Å; T11-G13 PolarHBondContact O-N 2.85Å; T11-R40 PolarHBondContact O-NH1 2.83Å; T11-R40 VanDerWaalsContact O-NH1 3.1Å; T11-R40 PolarHBondContact O-NH2 3.21Å
12E72.6Confident80.9Confident128 Ų12896.4 Ų96.460%0.59852%0.521SS*.THydrogen-bonded Turntrans-74.5118.9176.6-61.2179.2-169.800108.8L9 V10L9-E12 WeakPolarHBondContact CD2-OE1 3.32Å; L9-E12 WeakPolarHBondContact O-CB 3.46Å; L9-E12 PolarHBondContact O-N 3.13Å; V10-E12 VanDerWaalsContact C-N 3.29Å; V10-E12 PolarHBondContact O-N 3.28Å
13G71.3Confident81.1Confident72 Ų7291.3 Ų91.374%0.74250%0.499SS*.THydrogen-bonded Turntrans82.22.7-177.900000116.9T11 D15T11-G13 PolarHBondContact O-N 2.85Å; G13-D15 PolarHBondContact O-N 3.42Å
14I76.4Confident81Confident33 Ų3387.2 Ų87.217%0.16947%0.474CS..  trans-64.4110.3172.6-60-172.9000110.8L4 V10 I16 R40L4-I14 HydrophobicContact CD2-CD1 4.01Å; V10-I14 HydrophobicContact CG1-CD1 4.08Å; V10-I14 WeakPolarHBondContact O-CD1 3.5Å; V10-I14 WeakPolarHBondContact O-CG1 3.46Å; I14-I16 HydrophobicContact CG2-CB 4.04Å; I14-I16 HydrophobicContact CG2-CD1 3.62Å; I14-I16 HydrophobicContact CG2-CG1 3.6Å; I14-R40 VanDerWaalsContact N-NH1 3.14Å; I14-R40 PolarHBondContact O-NH1 2.89Å
15D79.9Confident80.8Confident130 Ų13087.8 Ų87.870%0.69548%0.477SS*.  trans-115.273.3166.2-172.925.6000110.2G13G13-D15 PolarHBondContact O-N 3.42Å
16I81.6Confident80.3Confident79 Ų7983.3 Ų83.341%0.40545%0.454SS..  trans-98.1107.9175.1-64.5170.5000107.6I14 Q18 L19I14-I16 HydrophobicContact CG2-CB 4.04Å; I14-I16 HydrophobicContact CG2-CD1 3.62Å; I14-I16 HydrophobicContact CG2-CG1 3.6Å; I16-Q18 PolarHBondContact O-N 3.09Å; I16-L19 HydrophobicContact CB-CB 4.25Å; I16-L19 HydrophobicContact CG2-CB 4.24Å; I16-L19 PolarHBondContact O-N 3.46Å
17K79Confident79.5Confident173 Ų17382.8 Ų82.875%0.75244%0.439SS*.THydrogen-bonded Turntrans-56.2-24.1-175.4-66.7-175.6178.3-179.10114.7
18Q84.5Confident79.2Confident161 Ų16185.1 Ų85.175%0.75244%0.437SS*.THydrogen-bonded Turntrans-12337.6-176-63.5178.2-4.300111.8I16 M20I16-Q18 PolarHBondContact O-N 3.09Å; Q18-M20 WeakPolarHBondContact O-CG 3.32Å; Q18-M20 PolarHBondContact O-N 3.44Å
19L84.9Confident79.2Confident27 Ų2781.9 Ų81.914%0.14142%0.423CS..  trans-69.299.7177.9-17365.8000110.5I16 V22 R40 L41 R42I16-L19 HydrophobicContact CB-CB 4.25Å; I16-L19 HydrophobicContact CG2-CB 4.24Å; I16-L19 PolarHBondContact O-N 3.46Å; L19-V22 HydrophobicContact CD1-CG2 4.41Å; L19-V22 HydrophobicContact CD2-CG2 3.73Å; L19-V22 HydrophobicContact CG-CG2 4.14Å; L19-R40 HydrophobicContact CD2-CB 4.06Å; L19-L41 HydrophobicContact CD2-CD2 4.5Å; L19-L41 HydrophobicContact CG-CD2 4.19Å; L19-L41 WeakPolarHBondContact O-CD2 3.47Å; L19-R42 PolarHBondContact O-N 2.88Å
20M86.9Confident79.4Confident99 Ų9977.4 Ų77.449%0.48840%0.4SS..  trans-91.2-20.4-177.2-64.1-53-63.300114.1Q18 G45 L46Q18-M20 WeakPolarHBondContact O-CG 3.32Å; Q18-M20 PolarHBondContact O-N 3.44Å; M20-G45 CarbonylContact O-C 3.58Å; M20-G45 WeakPolarHBondContact O-CA 3.32Å; M20-L46 PolarHBondContact O-N 2.9Å
21M87.2Confident79.8Confident97 Ų9775.2 Ų75.248%0.47839%0.386SS..EExtended strand (participates in β ladder)trans-148.5135.9-174.4-170.5180-66.700111.6I23 L46 Y48M21-I23 HydrophobicContact CG-CG1 4.1Å; M21-I23 HydrophobicContact SD-CD1 3.89Å; M21-I23 HydrophobicContact SD-CG1 4.05Å; M21-L46 CarbonylContact C-O 3.59Å; M21-L46 VanDerWaalsContact CA-O 3.31Å; M21-L46 WeakPolarHBondContact CA-O 3.46Å; M21-Y48 HydrophobicContact CE-CE2 4.25Å; M21-Y48 HydrophobicContact CG-CD2 4.29Å; M21-Y48 HydrophobicContact CG-CE2 4.37Å; M21-Y48 HydrophobicContact SD-CD2 4.43Å; M21-Y48 HydrophobicContact SD-CE2 4.27Å
22V86.2Confident80.4Confident24 Ų2475.4 Ų75.415%0.14539%0.385CS..EExtended strand (participates in β ladder)trans-126.8126.4169.8172.60000108L19 M24 L41 L46 C47 Y48L19-V22 HydrophobicContact CD1-CG2 4.41Å; L19-V22 HydrophobicContact CD2-CG2 3.73Å; L19-V22 HydrophobicContact CG-CG2 4.14Å; V22-M24 HydrophobicContact CG1-CE 3.78Å; V22-M24 HydrophobicContact CG1-CG 3.94Å; V22-L41 HydrophobicContact CB-CD2 4.39Å; V22-L41 HydrophobicContact CG2-CD2 3.83Å; V22-L41 HydrophobicContact CG2-CG 4.37Å; V22-L46 PolarHBondContact N-O 2.94Å; V22-C47 CarbonylContact O-C 3.55Å; V22-C47 WeakPolarHBondContact O-CA 3.35Å; V22-Y48 PolarHBondContact O-N 2.99Å
23I87.3Confident80.8Confident92 Ų9271.6 Ų71.647%0.47237%0.367SS..EExtended strand (participates in β ladder)trans-117117.7173.8-51.4179.1000107.7M21 L25 Y48 L50M21-I23 HydrophobicContact CG-CG1 4.1Å; M21-I23 HydrophobicContact SD-CD1 3.89Å; M21-I23 HydrophobicContact SD-CG1 4.05Å; I23-L25 HydrophobicContact CG2-CD2 3.75Å; I23-L25 HydrophobicContact CG2-CG 4.26Å; I23-Y48 CarbonylContact C-O 3.42Å; I23-Y48 WeakPolarHBondContact CA-O 3.48Å; I23-Y48 HydrophobicContact CG1-CD2 4.25Å; I23-L50 HydrophobicContact CG2-CD1 3.88Å; I23-L50 HydrophobicContact CG2-CG 4.36Å
24M83.6Confident81.4Confident14 Ų1468.5 Ų68.57%0.06933%0.333CS..EExtended strand (participates in β ladder)trans-104.1116.2178.1-64.4171.8177.700108.4V22 N27 L29 L34 Y48 L49 L50V22-M24 HydrophobicContact CG1-CE 3.78Å; V22-M24 HydrophobicContact CG1-CG 3.94Å; M24-N27 HydrophobicContact CB-CB 4.12Å; M24-L29 HydrophobicContact CE-CD1 4.03Å; M24-L29 HydrophobicContact CG-CD1 4.34Å; M24-L29 HydrophobicContact SD-CD1 3.18Å; M24-L29 WeakPolarHBondContact SD-CD1 3.43Å; M24-L34 HydrophobicContact SD-CD1 4.17Å; M24-Y48 PolarHBondContact N-O 3.28Å; M24-L49 HydrophobicContact CB-CD1 3.42Å; M24-L49 VanDerWaalsContact CB-CD1 3.42Å; M24-L49 HydrophobicContact CG-CD1 4.46Å; M24-L49 HydrophobicContact SD-CD1 4.27Å; M24-L50 PolarHBondContact O-N 3.24Å
25L81.8Confident81.8Confident123 Ų12368.8 Ų68.864%0.64434%0.335SS*.EExtended strand (participates in β ladder)trans-105124.5-177.8-59.2-179.9000110.7I23 N27 L50I23-L25 HydrophobicContact CG2-CD2 3.75Å; I23-L25 HydrophobicContact CG2-CG 4.26Å; L25-N27 PolarHBondContact O-N 3.45Å; L25-L50 CarbonylContact C-O 3.6Å; L25-L50 WeakPolarHBondContact CA-O 3.45Å; L25-L50 HydrophobicContact CD2-CB 3.81Å; L25-L50 HydrophobicContact CD2-CD1 3.74Å; L25-L50 HydrophobicContact CD2-CG 4.24Å
26D76.6Confident82Confident57 Ų5768.7 Ų68.731%0.30533%0.33SS..SBendtrans48.228179.7-76.4-22.1000113.5R28 L50 S51 R52D26-R28 PolarHBondContact O-N 2.87Å; D26-L50 PolarHBondContact N-O 2.96Å; D26-S51 WeakPolarHBondContact OD1-CA 3.44Å; D26-R52 PolarHBondContact OD1-N 3.02Å; D26-R52 IonicContact OD1-NE 2.6Å; D26-R52 IonicContact OD2-CZ 3.71Å; D26-R52 IonicContact OD2-NE 2.86Å; D26-R52 PolarHBondContact OD2-NE 3.23Å; D26-R52 IonicContact OD2-NH2 2.66Å; D26-R52 PolarHBondContact OD2-NH2 3.37Å
27N69.5Low81.9Confident41 Ų4165.4 Ų65.422%0.21932%0.316CS..  trans-84.4119.3-172.9-159.4-7.5000110.3M24 L25 L29 L49M24-N27 HydrophobicContact CB-CB 4.12Å; L25-N27 PolarHBondContact O-N 3.45Å; N27-L29 VanDerWaalsContact C-N 3.34Å; N27-L29 HydrophobicContact CB-CD1 4.17Å; N27-L29 HydrophobicContact CB-CG 4.07Å; N27-L29 PolarHBondContact O-N 3.12Å; N27-L29 VanDerWaalsContact O-N 3.1Å; N27-L29 WeakPolarHBondContact OD1-CD2 3.05Å; N27-L49 HydrophobicContact CB-CD1 4.34Å
28R75.1Confident82.1Confident148 Ų14859.2 Ų59.256%0.55829%0.292SS*.  trans-85.377.2179-71.7-173.2-174.4-176.82110D26 A58D26-R28 PolarHBondContact O-N 2.87Å; R28-A58 HydrophobicContact CB-CB 3.91Å; R28-A58 WeakPolarHBondContact O-CB 3.4Å
29L75.2Confident82Confident6 Ų654 Ų543%0.03128%0.281CS..  trans-93.3143.4-177.8-61.6168.9000111.5K8 M24 N27 E33 L49K8-L29 HydrophobicContact CD-CD2 4.22Å; M24-L29 HydrophobicContact CE-CD1 4.03Å; M24-L29 HydrophobicContact CG-CD1 4.34Å; M24-L29 HydrophobicContact SD-CD1 3.18Å; M24-L29 WeakPolarHBondContact SD-CD1 3.43Å; N27-L29 VanDerWaalsContact C-N 3.34Å; N27-L29 HydrophobicContact CB-CD1 4.17Å; N27-L29 HydrophobicContact CB-CG 4.07Å; N27-L29 PolarHBondContact O-N 3.12Å; N27-L29 VanDerWaalsContact O-N 3.1Å; N27-L29 WeakPolarHBondContact OD1-CD2 3.05Å; L29-E33 WeakPolarHBondContact CA-OE2 3.49Å; L29-E33 HydrophobicContact CB-CB 4.32Å; L29-E33 HydrophobicContact CD2-CB 3.79Å; L29-E33 WeakPolarHBondContact CD2-OE2 3.4Å; L29-L49 HydrophobicContact CD1-CD1 4.49Å
30N80.9Confident81.8Confident20 Ų2056.4 Ų56.411%0.10729%0.289CS..BIsolated β-bridgetrans-84.9171.8159.167.655.8000110.1I32 E33 L34 L65N30-I32 VanDerWaalsContact C-N 3.34Å; N30-I32 PolarHBondContact O-N 3.3Å; N30-I32 WeakPolarHBondContact OD1-CB 3.38Å; N30-I32 PolarHBondContact OD1-N 3.18Å; N30-E33 PolarHBondContact N-OE2 2.93Å; N30-E33 PolarHBondContact ND2-OE1 3.39Å; N30-E33 VanDerWaalsContact ND2-OE1 3.12Å; N30-E33 PolarHBondContact O-N 3.23Å; N30-E33 WeakPolarHBondContact OD1-CG 3.17Å; N30-E33 PolarHBondContact OD1-N 3.31Å; N30-L34 PolarHBondContact O-N 3.42Å; N30-L34 VanDerWaalsContact O-N 3.14Å; N30-L65 HydrophobicContact CB-CB 3.96Å; N30-L65 HydrophobicContact CB-CD1 4.33Å
31I82.9Confident81.7Confident4 Ų452.8 Ų52.82%0.02127%0.271CS..Hα-helixtrans-64.7-34-175-162.3165.6000114.8E33 L34 I35 P66 I68 Q76 V77 F80I31-E33 VanDerWaalsContact C-N 3.35Å; I31-L34 PolarHBondContact O-N 3.4Å; I31-I35 HydrophobicContact CG1-CD1 4.06Å; I31-I35 WeakPolarHBondContact O-CD1 3.07Å; I31-I35 VanDerWaalsContact O-CG1 3.25Å; I31-I35 WeakPolarHBondContact O-CG1 3.25Å; I31-I35 PolarHBondContact O-N 2.88Å; I31-P66 HydrophobicContact CG2-CG 3.94Å; I31-P66 PolarHBondContact N-O 2.63Å; I31-I68 HydrophobicContact CB-CD1 3.84Å; I31-I68 HydrophobicContact CD1-CD1 4.44Å; I31-I68 HydrophobicContact CG1-CD1 3.84Å; I31-Q76 VanDerWaalsContact CD1-C 3.4Å; I31-Q76 HydrophobicContact CD1-CB 4.03Å; I31-Q76 WeakPolarHBondContact CD1-O 3.4Å; I31-V77 HydrophobicContact CD1-CB 4.4Å; I31-V77 HydrophobicContact CD1-CG2 3.94Å; I31-V77 HydrophobicContact CG1-CG2 4.1Å; I31-F80 HydrophobicContact CD1-CB 3.58Å; I31-F80 HydrophobicContact CD1-CG 4.09Å; I31-F80 HydrophobicContact CG1-CB 4.5Å; I31-F80 HydrophobicContact CG2-CB 4.17Å; I31-F80 HydrophobicContact CG2-CD1 3.99Å; I31-F80 HydrophobicContact CG2-CD2 3.32Å; I31-F80 HydrophobicContact CG2-CE1 4.23Å; I31-F80 HydrophobicContact CG2-CE2 3.58Å; I31-F80 HydrophobicContact CG2-CG 3.54Å; I31-F80 HydrophobicContact CG2-CZ 4.04Å
32I84.9Confident81.5Confident55 Ų5553.4 Ų53.428%0.28227%0.268SS..Hα-helixtrans-64.6-44.6177.4-62.1-174.3000109.9N30 L34 I35 Q36 L65 F80N30-I32 VanDerWaalsContact C-N 3.34Å; N30-I32 PolarHBondContact O-N 3.3Å; N30-I32 WeakPolarHBondContact OD1-CB 3.38Å; N30-I32 PolarHBondContact OD1-N 3.18Å; I32-L34 VanDerWaalsContact C-N 3.29Å; I32-L34 PolarHBondContact O-N 3.2Å; I32-I35 PolarHBondContact O-N 2.84Å; I32-Q36 HydrophobicContact CG2-CG 4.3Å; I32-Q36 WeakPolarHBondContact O-CB 3.24Å; I32-Q36 WeakPolarHBondContact O-CG 3.25Å; I32-Q36 PolarHBondContact O-N 3.19Å; I32-L65 HydrophobicContact CB-CD1 4.4Å; I32-L65 HydrophobicContact CD1-CD1 3.64Å; I32-L65 HydrophobicContact CD1-CD2 3.53Å; I32-L65 HydrophobicContact CD1-CG 4.25Å; I32-L65 HydrophobicContact CG1-CD1 4.06Å; I32-L65 HydrophobicContact CG1-CD2 4.12Å; I32-F80 HydrophobicContact CD1-CZ 3.78Å; I32-F80 HydrophobicContact CG1-CE1 4.01Å; I32-F80 HydrophobicContact CG1-CE2 4.2Å; I32-F80 HydrophobicContact CG1-CZ 3.47Å; I32-F80 VanDerWaalsContact CG1-CZ 3.47Å
33E82Confident81.2Confident49 Ų4957.6 Ų57.623%0.22929%0.29CS..Hα-helixtrans-64.2-37.6-179.6-64.1169.2166.500111.6K8 L29 N30 I31 G37K8-E33 IonicContact NZ-OE1 3.78Å; K8-E33 PolarHBondContact NZ-OE1 3.41Å; K8-E33 IonicContact NZ-OE2 2.82Å; K8-E33 PolarHBondContact NZ-OE2 3.24Å; L29-E33 WeakPolarHBondContact CA-OE2 3.49Å; L29-E33 HydrophobicContact CB-CB 4.32Å; L29-E33 HydrophobicContact CD2-CB 3.79Å; L29-E33 WeakPolarHBondContact CD2-OE2 3.4Å; N30-E33 PolarHBondContact N-OE2 2.93Å; N30-E33 PolarHBondContact ND2-OE1 3.39Å; N30-E33 VanDerWaalsContact ND2-OE1 3.12Å; N30-E33 PolarHBondContact O-N 3.23Å; N30-E33 WeakPolarHBondContact OD1-CG 3.17Å; N30-E33 PolarHBondContact OD1-N 3.31Å; I31-E33 VanDerWaalsContact C-N 3.35Å; E33-G37 PolarHBondContact O-N 3.39Å
34L82.8Confident80.8Confident6 Ų655.8 Ų55.83%0.03129%0.294CS..Hα-helixtrans-62.8-49.9172.7-177.366.3000111.2M24 N30 I31 I32 Q36 G37 V38 I68 I73M24-L34 HydrophobicContact SD-CD1 4.17Å; N30-L34 PolarHBondContact O-N 3.42Å; N30-L34 VanDerWaalsContact O-N 3.14Å; I31-L34 PolarHBondContact O-N 3.4Å; I32-L34 VanDerWaalsContact C-N 3.29Å; I32-L34 PolarHBondContact O-N 3.2Å; L34-Q36 VanDerWaalsContact C-N 3.33Å; L34-Q36 PolarHBondContact O-N 2.87Å; L34-G37 PolarHBondContact O-N 3.39Å; L34-V38 HydrophobicContact CD1-CG2 3.93Å; L34-V38 HydrophobicContact CG-CG2 4.24Å; L34-V38 WeakPolarHBondContact O-CB 3.44Å; L34-V38 VanDerWaalsContact O-CG2 3.25Å; L34-V38 WeakPolarHBondContact O-CG2 3.42Å; L34-V38 PolarHBondContact O-N 3Å; L34-I68 HydrophobicContact CB-CD1 4.3Å; L34-I68 HydrophobicContact CB-CG1 4.47Å; L34-I68 HydrophobicContact CD2-CD1 3.57Å; L34-I68 HydrophobicContact CD2-CG1 4.03Å; L34-I73 HydrophobicContact CD2-CD1 3.92Å; L34-I73 HydrophobicContact CD2-CG1 4.32Å; L34-I73 HydrophobicContact CD2-CG2 3.49Å; L34-I73 VanDerWaalsContact CD2-CG2 3.49Å
35I85.7Confident80.8Confident40 Ų4055.7 Ų55.721%0.20530%0.297CS..Hα-helixtrans-57.7-46.4179.4-69.1160000110.7I31 I32 G39 V77 F80 Y81I31-I35 HydrophobicContact CG1-CD1 4.06Å; I31-I35 WeakPolarHBondContact O-CD1 3.07Å; I31-I35 VanDerWaalsContact O-CG1 3.25Å; I31-I35 WeakPolarHBondContact O-CG1 3.25Å; I31-I35 PolarHBondContact O-N 2.88Å; I32-I35 PolarHBondContact O-N 2.84Å; I35-G39 PolarHBondContact O-N 3.1Å; I35-V77 HydrophobicContact CD1-CG1 4.11Å; I35-V77 HydrophobicContact CD1-CG2 4.18Å; I35-V77 HydrophobicContact CG1-CG1 4.32Å; I35-V77 HydrophobicContact CG1-CG2 3.96Å; I35-F80 HydrophobicContact CD1-CD1 4.16Å; I35-F80 HydrophobicContact CD1-CE1 4.35Å; I35-Y81 HydrophobicContact CD1-CE2 3.69Å
36Q83.5Confident81.1Confident127 Ų12753.8 Ų53.859%0.59329%0.287SS*.Hα-helixtrans-66.1-38.9179.7-72.2178.7-10.300112.7I32 L34I32-Q36 HydrophobicContact CG2-CG 4.3Å; I32-Q36 WeakPolarHBondContact O-CB 3.24Å; I32-Q36 WeakPolarHBondContact O-CG 3.25Å; I32-Q36 PolarHBondContact O-N 3.19Å; L34-Q36 VanDerWaalsContact C-N 3.33Å; L34-Q36 PolarHBondContact O-N 2.87Å
37G80.4Confident81.5Confident10 Ų1053.2 Ų53.210%0.10329%0.287CS..Hα-helixtrans-66.9-48.2176.300000112.1E33 L34 G39 R40E33-G37 PolarHBondContact O-N 3.39Å; L34-G37 PolarHBondContact O-N 3.39Å; G37-G39 VanDerWaalsContact C-N 3.33Å; G37-G39 PolarHBondContact O-N 2.87Å; G37-R40 WeakPolarHBondContact O-CB 3.38Å; G37-R40 PolarHBondContact O-N 2.94Å
38V82.3Confident82.2Confident43 Ų4356.3 Ų56.326%0.26130%0.296SS..Hα-helixtrans-66-35.1179.6173.50000111.5L34 R40 L41 C47L34-V38 HydrophobicContact CD1-CG2 3.93Å; L34-V38 HydrophobicContact CG-CG2 4.24Å; L34-V38 WeakPolarHBondContact O-CB 3.44Å; L34-V38 VanDerWaalsContact O-CG2 3.25Å; L34-V38 WeakPolarHBondContact O-CG2 3.42Å; L34-V38 PolarHBondContact O-N 3Å; V38-R40 PolarHBondContact O-N 3.36Å; V38-L41 HydrophobicContact CG1-CD1 4.28Å; V38-L41 WeakPolarHBondContact O-CB 3.31Å; V38-L41 PolarHBondContact O-N 3.46Å; V38-C47 HydrophobicContact CG2-CB 3.85Å
39G83.3Confident82.4Confident51 Ų5150.6 Ų50.653%0.52628%0.276SS..THydrogen-bonded Turntrans-61.5-9.7177.200000115I35 G37 R42I35-G39 PolarHBondContact O-N 3.1Å; G37-G39 VanDerWaalsContact C-N 3.33Å; G37-G39 PolarHBondContact O-N 2.87Å; G39-R42 PolarHBondContact O-NH1 3.46Å
40R80.3Confident82.7Confident78 Ų7854.5 Ų54.529%0.29430%0.297SS..THydrogen-bonded Turntrans-84.6-18.5172.8-61.2-179.1-174-115.93113.4T11 I14 L19 G37 V38 R42T11-R40 PolarHBondContact O-NH1 2.83Å; T11-R40 VanDerWaalsContact O-NH1 3.1Å; T11-R40 PolarHBondContact O-NH2 3.21Å; I14-R40 VanDerWaalsContact N-NH1 3.14Å; I14-R40 PolarHBondContact O-NH1 2.89Å; L19-R40 HydrophobicContact CD2-CB 4.06Å; G37-R40 WeakPolarHBondContact O-CB 3.38Å; G37-R40 PolarHBondContact O-N 2.94Å; V38-R40 PolarHBondContact O-N 3.36Å; R40-R42 PolarHBondContact O-NH1 2.83Å
41L84.6Confident82.4Confident23 Ų2355 Ų5512%0.1230%0.302CS..  trans-64.5148.6175.3-66.7168.9000109.9L19 V22 V38 C47L19-L41 HydrophobicContact CD2-CD2 4.5Å; L19-L41 HydrophobicContact CG-CD2 4.19Å; L19-L41 WeakPolarHBondContact O-CD2 3.47Å; V22-L41 HydrophobicContact CB-CD2 4.39Å; V22-L41 HydrophobicContact CG2-CD2 3.83Å; V22-L41 HydrophobicContact CG2-CG 4.37Å; V38-L41 HydrophobicContact CG1-CD1 4.28Å; V38-L41 WeakPolarHBondContact O-CB 3.31Å; V38-L41 PolarHBondContact O-N 3.46Å; L41-C47 HydrophobicContact CD1-CB 3.78Å
42R82Confident81.8Confident111 Ų11163.6 Ų63.642%0.41933%0.334SS..  trans-124.5157.4177.2-59.4-66.2176.8-102.22109.3L19 G39 R40 G44 G45L19-R42 PolarHBondContact O-N 2.88Å; G39-R42 PolarHBondContact O-NH1 3.46Å; R40-R42 PolarHBondContact O-NH1 2.83Å; R42-G44 VanDerWaalsContact C-N 3.32Å; R42-G44 PolarHBondContact O-N 2.81Å; R42-G44 VanDerWaalsContact O-N 3.09Å; R42-G45 PolarHBondContact O-N 2.84Å
43D80.4Confident80.6Confident111 Ų11170.7 Ų70.759%0.59436%0.363SS*.THydrogen-bonded Turntrans48.743.3165.4-53-37.9000115.9W98D43-W98 WeakPolarHBondContact OD1-CZ3 3.46Å
44G78.9Confident79.4Confident55 Ų5575.4 Ų75.457%0.56739%0.389SS*.THydrogen-bonded Turntrans76.224.3-179.900000114.4R42R42-G44 VanDerWaalsContact C-N 3.32Å; R42-G44 PolarHBondContact O-N 2.81Å; R42-G44 VanDerWaalsContact O-N 3.09Å
45G84.9Confident78.1Confident12 Ų1276.3 Ų76.312%0.12440%0.396CS..  trans-54.1154173.500000113.4M20 R42M20-G45 CarbonylContact O-C 3.58Å; M20-G45 WeakPolarHBondContact O-CA 3.32Å; R42-G45 PolarHBondContact O-N 2.84Å
46L86.7Confident76.6Confident82 Ų8277.3 Ų77.343%0.42940%0.398SS..EExtended strand (participates in β ladder)trans-103.4132.6-172.9-61.4174.8000111.1M20 M21 V22 Y48M20-L46 PolarHBondContact O-N 2.9Å; M21-L46 CarbonylContact C-O 3.59Å; M21-L46 VanDerWaalsContact CA-O 3.31Å; M21-L46 WeakPolarHBondContact CA-O 3.46Å; V22-L46 PolarHBondContact N-O 2.94Å; L46-Y48 HydrophobicContact CB-CD2 4.39Å; L46-Y48 HydrophobicContact CB-CE2 3.76Å; L46-Y48 HydrophobicContact CD1-CE2 4.17Å
47C85.3Confident75.1Confident46 Ų4674 Ų7431%0.31139%0.392SS..EExtended strand (participates in β ladder)trans-109.5119.2169.8-171.50000109.8V22 V38 L41V22-C47 CarbonylContact O-C 3.55Å; V22-C47 WeakPolarHBondContact O-CA 3.35Å; V38-C47 HydrophobicContact CG2-CB 3.85Å; L41-C47 HydrophobicContact CD1-CB 3.78Å
48Y85.1Confident73.9Confident106 Ų10674.1 Ų74.142%0.41639%0.392SS..EExtended strand (participates in β ladder)trans-107128.3170.9-64.6-82000109.3M21 V22 I23 M24 L46M21-Y48 HydrophobicContact CE-CE2 4.25Å; M21-Y48 HydrophobicContact CG-CD2 4.29Å; M21-Y48 HydrophobicContact CG-CE2 4.37Å; M21-Y48 HydrophobicContact SD-CD2 4.43Å; M21-Y48 HydrophobicContact SD-CE2 4.27Å; V22-Y48 PolarHBondContact O-N 2.99Å; I23-Y48 CarbonylContact C-O 3.42Å; I23-Y48 WeakPolarHBondContact CA-O 3.48Å; I23-Y48 HydrophobicContact CG1-CD2 4.25Å; M24-Y48 PolarHBondContact N-O 3.28Å; L46-Y48 HydrophobicContact CB-CD2 4.39Å; L46-Y48 HydrophobicContact CB-CE2 3.76Å; L46-Y48 HydrophobicContact CD1-CE2 4.17Å
49L79.4Confident72.4Confident27 Ų2782.8 Ų82.814%0.14142%0.42CS..EExtended strand (participates in β ladder)trans-111113.4167.2-174.253000106.5M24 N27 L29 W56 I68M24-L49 HydrophobicContact CB-CD1 3.42Å; M24-L49 VanDerWaalsContact CB-CD1 3.42Å; M24-L49 HydrophobicContact CG-CD1 4.46Å; M24-L49 HydrophobicContact SD-CD1 4.27Å; N27-L49 HydrophobicContact CB-CD1 4.34Å; L29-L49 HydrophobicContact CD1-CD1 4.49Å; L49-W56 HydrophobicContact CB-CH2 3.62Å; L49-W56 HydrophobicContact CB-CZ3 3.62Å; L49-W56 HydrophobicContact CD1-CZ3 4.43Å; L49-W56 HydrophobicContact CD2-CE3 3.49Å; L49-W56 VanDerWaalsContact CD2-CE3 3.49Å; L49-W56 HydrophobicContact CD2-CH2 3.96Å; L49-W56 HydrophobicContact CD2-CZ3 3.07Å; L49-W56 HydrophobicContact CG-CE3 3.75Å; L49-W56 HydrophobicContact CG-CH2 3.45Å; L49-W56 VanDerWaalsContact CG-CH2 3.45Å; L49-W56 HydrophobicContact CG-CZ2 4.4Å; L49-W56 HydrophobicContact CG-CZ3 3.1Å; L49-W56 WeakPolarHBondContact O-CH2 3.18Å; L49-I68 HydrophobicContact CD2-CG2 4.28Å
50L80.9Confident71Confident89 Ų8982.7 Ų82.747%0.46641%0.408SS..EExtended strand (participates in β ladder)trans-115126.5-179-55.4176.5000107.5I23 M24 L25 D26I23-L50 HydrophobicContact CG2-CD1 3.88Å; I23-L50 HydrophobicContact CG2-CG 4.36Å; M24-L50 PolarHBondContact O-N 3.24Å; L25-L50 CarbonylContact C-O 3.6Å; L25-L50 WeakPolarHBondContact CA-O 3.45Å; L25-L50 HydrophobicContact CD2-CB 3.81Å; L25-L50 HydrophobicContact CD2-CD1 3.74Å; L25-L50 HydrophobicContact CD2-CG 4.24Å; D26-L50 PolarHBondContact N-O 2.96Å
51S73.7Confident69.8Low29 Ų2991 Ų9120%0.20344%0.439CS..  trans-143.7143.1-178.3146.50000109.5D26 S55 W56D26-S51 WeakPolarHBondContact OD1-CA 3.44Å; S51-S55 WeakPolarHBondContact CB-OG 3.49Å; S51-S55 PolarHBondContact OG-OG 3.21Å; S51-W56 VanDerWaalsContact OG-CD1 3.29Å; S51-W56 PolarHBondContact OG-NE1 3.41Å
52R71.1Confident68.5Low186 Ų18697.8 Ų97.870%0.70247%0.468SS*.SBendtrans-63.4137.6168.2-72.4179.3-76.7177.6-4.4109.1D26 N54 S55D26-R52 PolarHBondContact OD1-N 3.02Å; D26-R52 IonicContact OD1-NE 2.6Å; D26-R52 IonicContact OD2-CZ 3.71Å; D26-R52 IonicContact OD2-NE 2.86Å; D26-R52 PolarHBondContact OD2-NE 3.23Å; D26-R52 IonicContact OD2-NH2 2.66Å; D26-R52 PolarHBondContact OD2-NH2 3.37Å; R52-N54 PolarHBondContact O-N 3.14Å; R52-S55 WeakPolarHBondContact O-CB 3.39Å; R52-S55 PolarHBondContact O-N 3.42Å; R52-S55 PolarHBondContact O-OG 3.5Å
53K60.4Low67.4Low204 Ų20495.4 Ų95.489%0.88748%0.478SS*.THydrogen-bonded Turntrans-32121.8-177.1-74.9-176.9174-178.30111.7
54N56.1Low66.8Low147 Ų14797.2 Ų97.279%0.78648%0.482SS*.THydrogen-bonded Turntrans747.8178.1-53.4-20.1000118.1R52R52-N54 PolarHBondContact O-N 3.14Å
55S54.9Low66.5Low25 Ų2596.7 Ų96.718%0.17547%0.466CS..THydrogen-bonded Turntrans-87.40.9179.9920000115.5S51 R52 A57S51-S55 WeakPolarHBondContact CB-OG 3.49Å; S51-S55 PolarHBondContact OG-OG 3.21Å; R52-S55 WeakPolarHBondContact O-CB 3.39Å; R52-S55 PolarHBondContact O-N 3.42Å; R52-S55 PolarHBondContact O-OG 3.5Å; S55-A57 VanDerWaalsContact C-N 3.3Å; S55-A57 PolarHBondContact O-N 3.37Å
56W54.4Low65.9Low62 Ų6298.9 Ų98.924%0.23548%0.478CS..THydrogen-bonded Turntrans-66-28.9-178.2-62.984.2000114L49 S51 A58 I68L49-W56 HydrophobicContact CB-CH2 3.62Å; L49-W56 HydrophobicContact CB-CZ3 3.62Å; L49-W56 HydrophobicContact CD1-CZ3 4.43Å; L49-W56 HydrophobicContact CD2-CE3 3.49Å; L49-W56 VanDerWaalsContact CD2-CE3 3.49Å; L49-W56 HydrophobicContact CD2-CH2 3.96Å; L49-W56 HydrophobicContact CD2-CZ3 3.07Å; L49-W56 HydrophobicContact CG-CE3 3.75Å; L49-W56 HydrophobicContact CG-CH2 3.45Å; L49-W56 VanDerWaalsContact CG-CH2 3.45Å; L49-W56 HydrophobicContact CG-CZ2 4.4Å; L49-W56 HydrophobicContact CG-CZ3 3.1Å; L49-W56 WeakPolarHBondContact O-CH2 3.18Å; S51-W56 VanDerWaalsContact OG-CD1 3.29Å; S51-W56 PolarHBondContact OG-NE1 3.41Å; W56-A58 VanDerWaalsContact C-N 3.35Å; W56-A58 PolarHBondContact O-N 2.99Å; W56-I68 HydrophobicContact CE3-CG2 3.9Å; W56-I68 HydrophobicContact CZ3-CG2 4.24Å
57A52.7Low65.4Low58 Ų5896.6 Ų96.648%0.47947%0.469SS..  trans-7094.5176.100000109.3S55 R59S55-A57 VanDerWaalsContact C-N 3.3Å; S55-A57 PolarHBondContact O-N 3.37Å; A57-R59 PolarHBondContact O-N 3.03Å
58A54.3Low65Low12 Ų1294.6 Ų94.610%0.09945%0.454CS..  trans-52.2114.615400000106.6R28 W56 N60R28-A58 HydrophobicContact CB-CB 3.91Å; R28-A58 WeakPolarHBondContact O-CB 3.4Å; W56-A58 VanDerWaalsContact C-N 3.35Å; W56-A58 PolarHBondContact O-N 2.99Å; A58-N60 PolarHBondContact O-N 3.28Å
59R52.1Low64.6Low224 Ų22495.3 Ų95.385%0.84546%0.46SS*.  trans-60.696.7160.5-91.5-173.8168-178.5-3.4104.6A57 R61A57-R59 PolarHBondContact O-N 3.03Å; R59-R61 PolarHBondContact O-N 3.22Å
60N53.3Low64.3Low50 Ų50102.5 Ų102.527%0.26749%0.493SS..  trans-50.7116.3168.3-69.9-45.7000105.9A58 K62 G63 L65A58-N60 PolarHBondContact O-N 3.28Å; N60-K62 PolarHBondContact O-N 3.02Å; N60-G63 VanDerWaalsContact CB-N 3.32Å; N60-L65 PolarHBondContact ND2-O 3.44Å; N60-L65 PolarHBondContact OD1-O 3.19Å
61R53.9Low64.1Low251 Ų251100.8 Ų100.895%0.94750%0.497SS*.SBendtrans-59.9-10.6178.1-83.8-177.1170.6173.5-3111.8R59R59-R61 PolarHBondContact O-N 3.22Å
62K58Low64.6Low167 Ų167101.5 Ų101.573%0.72650%0.501SS*.SBendtrans-148.415.2178.4-67.6-170.4175.6-179.60116.8N60 E64N60-K62 PolarHBondContact O-N 3.02Å; K62-E64 HydrophobicContact CB-CG 3.92Å; K62-E64 WeakPolarHBondContact CD-OE1 3.09Å; K62-E64 PolarHBondContact O-N 2.9Å; K62-E64 VanDerWaalsContact O-N 3.15Å
63G60Low65.1Low61 Ų6195.4 Ų95.463%0.62948%0.482SS*.SBendtrans66.78.5-177.600000116N60 L65N60-G63 VanDerWaalsContact CB-N 3.32Å; G63-L65 PolarHBondContact O-N 2.98Å
64E66.8Low66.2Low148 Ų14888.7 Ų88.769%0.69246%0.458SS*.  trans-72.3-26.7-168.7-72169.6-173.800114.9K62K62-E64 HydrophobicContact CB-CG 3.92Å; K62-E64 WeakPolarHBondContact CD-OE1 3.09Å; K62-E64 PolarHBondContact O-N 2.9Å; K62-E64 VanDerWaalsContact O-N 3.15Å
65L72.3Confident67.6Low45 Ų4585.2 Ų85.224%0.23644%0.437CS..SBendtrans-139.3138.2-175.1-66.7172.3000111.7N30 I32 N60 G63 F80N30-L65 HydrophobicContact CB-CB 3.96Å; N30-L65 HydrophobicContact CB-CD1 4.33Å; I32-L65 HydrophobicContact CB-CD1 4.4Å; I32-L65 HydrophobicContact CD1-CD1 3.64Å; I32-L65 HydrophobicContact CD1-CD2 3.53Å; I32-L65 HydrophobicContact CD1-CG 4.25Å; I32-L65 HydrophobicContact CG1-CD1 4.06Å; I32-L65 HydrophobicContact CG1-CD2 4.12Å; N60-L65 PolarHBondContact ND2-O 3.44Å; N60-L65 PolarHBondContact OD1-O 3.19Å; G63-L65 PolarHBondContact O-N 2.98Å; L65-F80 HydrophobicContact CD2-CE2 4.07Å; L65-F80 HydrophobicContact CD2-CZ 4.46Å
66P73Confident69.1Low58 Ų5885.2 Ų85.238%0.37743%0.434SS..PPolyproline II helixtrans-61134.4-179.224.7-32.5000111.1I31 F80I31-P66 HydrophobicContact CG2-CG 3.94Å; I31-P66 PolarHBondContact N-O 2.63Å; P66-F80 HydrophobicContact CG-CD2 3.89Å
67P75.4Confident70.6Confident34 Ų3483.4 Ų83.422%0.22143%0.43CS..BIsolated β-bridgetrans-68.4154.3172.930.4-34000109.9K69P67-K69 PolarHBondContact O-N 3.25Å
68I78.4Confident72.2Confident3 Ų385.8 Ų85.82%0.01543%0.427CS..PPolyproline II helixtrans-67.4129.4167.7-61.3-59.3000109I31 L34 L49 W56 I73I31-I68 HydrophobicContact CB-CD1 3.84Å; I31-I68 HydrophobicContact CD1-CD1 4.44Å; I31-I68 HydrophobicContact CG1-CD1 3.84Å; L34-I68 HydrophobicContact CB-CD1 4.3Å; L34-I68 HydrophobicContact CB-CG1 4.47Å; L34-I68 HydrophobicContact CD2-CD1 3.57Å; L34-I68 HydrophobicContact CD2-CG1 4.03Å; L49-I68 HydrophobicContact CD2-CG2 4.28Å; W56-I68 HydrophobicContact CE3-CG2 3.9Å; W56-I68 HydrophobicContact CZ3-CG2 4.24Å; I68-I73 HydrophobicContact CG2-CD1 3.57Å
69K75.5Confident73.8Confident122 Ų12292.2 Ų92.253%0.5346%0.455SS..  trans-105.8160.7177.1-60173.7-171.1167.90109.7P67 G71 Q76P67-K69 PolarHBondContact O-N 3.25Å; K69-G71 PolarHBondContact O-N 3.4Å; K69-Q76 PolarHBondContact O-NE2 2.97Å
70E73.3Confident75.4Confident177 Ų17784.6 Ų84.683%0.82743%0.428SS*.SBendtrans-61133.4166-172.8172.5-172.700109.6
71G77.5Confident77.1Confident54 Ų5488.3 Ų88.356%0.55744%0.439SS*.SBendtrans132-170.6-176.700000113.1K69 I73K69-G71 PolarHBondContact O-N 3.4Å; G71-I73 PolarHBondContact O-N 2.88Å
72C82.5Confident78.6Confident43 Ų4379.5 Ų79.529%0.29143%0.426SS..  trans-67.5115.7-177.5-175.20000111.3T74 E75 Q76C72-T74 VanDerWaalsContact C-N 3.27Å; C72-T74 PolarHBondContact O-N 2.83Å; C72-E75 HydrophobicContact CB-CB 4.14Å; C72-E75 HydrophobicContact CB-CG 4Å; C72-E75 PolarHBondContact O-N 2.7Å; C72-Q76 WeakPolarHBondContact O-CG 3.48Å; C72-Q76 PolarHBondContact O-N 2.95Å
73I82.3Confident80Confident59 Ų5976.4 Ų76.430%0.30342%0.417SS..Hα-helixtrans-60.3-38.7175.8-63.3-56.5000111.1L34 I68 G71 E75 Q76 V77L34-I73 HydrophobicContact CD2-CD1 3.92Å; L34-I73 HydrophobicContact CD2-CG1 4.32Å; L34-I73 HydrophobicContact CD2-CG2 3.49Å; L34-I73 VanDerWaalsContact CD2-CG2 3.49Å; I68-I73 HydrophobicContact CG2-CD1 3.57Å; G71-I73 PolarHBondContact O-N 2.88Å; I73-E75 VanDerWaalsContact C-N 3.33Å; I73-E75 PolarHBondContact O-N 3.1Å; I73-Q76 PolarHBondContact O-N 2.6Å; I73-V77 HydrophobicContact CG2-CG2 4.15Å; I73-V77 WeakPolarHBondContact O-CG2 3.38Å; I73-V77 PolarHBondContact O-N 2.79Å
74T83.9Confident80.4Confident63 Ų6381.4 Ų81.439%0.38742%0.424SS..Hα-helixtrans-61.5-41.4179.5-52.60000112C72 V77 R78C72-T74 VanDerWaalsContact C-N 3.27Å; C72-T74 PolarHBondContact O-N 2.83Å; T74-V77 PolarHBondContact O-N 2.83Å; T74-R78 WeakPolarHBondContact O-CB 3.48Å; T74-R78 VanDerWaalsContact O-CG 3.32Å; T74-R78 WeakPolarHBondContact O-CG 3.44Å; T74-R78 PolarHBondContact O-N 2.85Å
75E85.4Confident79.9Confident73 Ų7377.9 Ų77.934%0.34142%0.415SS..Hα-helixtrans-66.8-40.5175.5-68.2-55.6114.400111.5C72 I73 V77 R78 E79 S85C72-E75 HydrophobicContact CB-CB 4.14Å; C72-E75 HydrophobicContact CB-CG 4Å; C72-E75 PolarHBondContact O-N 2.7Å; I73-E75 VanDerWaalsContact C-N 3.33Å; I73-E75 PolarHBondContact O-N 3.1Å; E75-V77 VanDerWaalsContact C-N 3.32Å; E75-V77 PolarHBondContact O-N 3.05Å; E75-R78 WeakPolarHBondContact O-CB 3.33Å; E75-R78 PolarHBondContact O-N 3Å; E75-R78 IonicContact OE1-CZ 3.2Å; E75-R78 IonicContact OE1-NH1 2.75Å; E75-R78 PolarHBondContact OE1-NH1 3.45Å; E75-E79 WeakPolarHBondContact O-CB 2.86Å; E75-E79 PolarHBondContact O-N 2.6Å; E75-S85 PolarHBondContact OE2-OG 3.05Å
76Q85.4Confident79.1Confident25 Ų2582.3 Ų82.312%0.11743%0.433CS..Hα-helixtrans-61.5-41.1175.2-68.4177.164.300111.9I31 K69 C72 I73 E79 F80I31-Q76 VanDerWaalsContact CD1-C 3.4Å; I31-Q76 HydrophobicContact CD1-CB 4.03Å; I31-Q76 WeakPolarHBondContact CD1-O 3.4Å; K69-Q76 PolarHBondContact O-NE2 2.97Å; C72-Q76 WeakPolarHBondContact O-CG 3.48Å; C72-Q76 PolarHBondContact O-N 2.95Å; I73-Q76 PolarHBondContact O-N 2.6Å; Q76-E79 PolarHBondContact O-N 3.47Å; Q76-F80 WeakPolarHBondContact O-CB 3.42Å; Q76-F80 PolarHBondContact O-N 2.75Å
77V85.7Confident78Confident24 Ų2489.1 Ų89.115%0.14546%0.457CS..Hα-helixtrans-66.8-41176.81720000110.7I31 I35 I73 T74 E75 F80 Y81I31-V77 HydrophobicContact CD1-CB 4.4Å; I31-V77 HydrophobicContact CD1-CG2 3.94Å; I31-V77 HydrophobicContact CG1-CG2 4.1Å; I35-V77 HydrophobicContact CD1-CG1 4.11Å; I35-V77 HydrophobicContact CD1-CG2 4.18Å; I35-V77 HydrophobicContact CG1-CG1 4.32Å; I35-V77 HydrophobicContact CG1-CG2 3.96Å; I73-V77 HydrophobicContact CG2-CG2 4.15Å; I73-V77 WeakPolarHBondContact O-CG2 3.38Å; I73-V77 PolarHBondContact O-N 2.79Å; T74-V77 PolarHBondContact O-N 2.83Å; E75-V77 VanDerWaalsContact C-N 3.32Å; E75-V77 PolarHBondContact O-N 3.05Å; V77-F80 PolarHBondContact O-N 2.82Å; V77-Y81 HydrophobicContact CG1-CD2 3.79Å; V77-Y81 HydrophobicContact CG1-CE2 3.83Å; V77-Y81 VanDerWaalsContact O-CD2 3.24Å; V77-Y81 WeakPolarHBondContact O-CD2 3.36Å; V77-Y81 PolarHBondContact O-N 3.04Å; V77-Y81 VanDerWaalsContact O-N 3.1Å
78R87.7Confident76.3Confident108 Ų10890.6 Ų90.641%0.40848%0.477SS..Hα-helixtrans-59.4-49.3173.8-77.7173.8172.4141.24.6111.6T74 E75 F80 Y81 G82 L83T74-R78 WeakPolarHBondContact O-CB 3.48Å; T74-R78 VanDerWaalsContact O-CG 3.32Å; T74-R78 WeakPolarHBondContact O-CG 3.44Å; T74-R78 PolarHBondContact O-N 2.85Å; E75-R78 WeakPolarHBondContact O-CB 3.33Å; E75-R78 PolarHBondContact O-N 3Å; E75-R78 IonicContact OE1-CZ 3.2Å; E75-R78 IonicContact OE1-NH1 2.75Å; E75-R78 PolarHBondContact OE1-NH1 3.45Å; R78-F80 VanDerWaalsContact C-N 3.33Å; R78-F80 PolarHBondContact O-N 3.42Å; R78-Y81 CarbonylContact O-C 3.57Å; R78-Y81 PolarHBondContact O-N 3.22Å; R78-G82 PolarHBondContact O-N 2.86Å; R78-G82 VanDerWaalsContact O-N 3.12Å; R78-L83 HydrophobicContact CB-CB 4.17Å; R78-L83 HydrophobicContact CG-CB 4.35Å; R78-L83 HydrophobicContact CG-CD1 4.32Å; R78-L83 PolarHBondContact O-N 3.12Å
79E86.6Confident74.4Confident148 Ų14899.2 Ų99.269%0.69252%0.515SS*.Hα-helixtrans-58.6-45.3178-173.9-178.2176.500111.3E75 Q76 Y81 G82E75-E79 WeakPolarHBondContact O-CB 2.86Å; E75-E79 PolarHBondContact O-N 2.6Å; Q76-E79 PolarHBondContact O-N 3.47Å; E79-Y81 VanDerWaalsContact C-N 3.31Å; E79-Y81 PolarHBondContact O-N 3.1Å; E79-G82 PolarHBondContact O-N 2.94Å
80F87Confident72.5Confident63 Ų63104.2 Ų104.228%0.27654%0.537SS..Hα-helixtrans-60.2-37.8177.8174.3-103.8000113.6I31 I32 I35 L65 P66 Q76 V77 R78 G82I31-F80 HydrophobicContact CD1-CB 3.58Å; I31-F80 HydrophobicContact CD1-CG 4.09Å; I31-F80 HydrophobicContact CG1-CB 4.5Å; I31-F80 HydrophobicContact CG2-CB 4.17Å; I31-F80 HydrophobicContact CG2-CD1 3.99Å; I31-F80 HydrophobicContact CG2-CD2 3.32Å; I31-F80 HydrophobicContact CG2-CE1 4.23Å; I31-F80 HydrophobicContact CG2-CE2 3.58Å; I31-F80 HydrophobicContact CG2-CG 3.54Å; I31-F80 HydrophobicContact CG2-CZ 4.04Å; I32-F80 HydrophobicContact CD1-CZ 3.78Å; I32-F80 HydrophobicContact CG1-CE1 4.01Å; I32-F80 HydrophobicContact CG1-CE2 4.2Å; I32-F80 HydrophobicContact CG1-CZ 3.47Å; I32-F80 VanDerWaalsContact CG1-CZ 3.47Å; I35-F80 HydrophobicContact CD1-CD1 4.16Å; I35-F80 HydrophobicContact CD1-CE1 4.35Å; L65-F80 HydrophobicContact CD2-CE2 4.07Å; L65-F80 HydrophobicContact CD2-CZ 4.46Å; P66-F80 HydrophobicContact CG-CD2 3.89Å; Q76-F80 WeakPolarHBondContact O-CB 3.42Å; Q76-F80 PolarHBondContact O-N 2.75Å; V77-F80 PolarHBondContact O-N 2.82Å; R78-F80 VanDerWaalsContact C-N 3.33Å; R78-F80 PolarHBondContact O-N 3.42Å; F80-G82 VanDerWaalsContact C-N 3.28Å
81Y87.7Confident70.9Confident129 Ų12997.8 Ų97.851%0.50652%0.518SS..THydrogen-bonded Turntrans-85.13.6175.4-75-67.1000113.8I35 V77 R78 E79 L83I35-Y81 HydrophobicContact CD1-CE2 3.69Å; V77-Y81 HydrophobicContact CG1-CD2 3.79Å; V77-Y81 HydrophobicContact CG1-CE2 3.83Å; V77-Y81 VanDerWaalsContact O-CD2 3.24Å; V77-Y81 WeakPolarHBondContact O-CD2 3.36Å; V77-Y81 PolarHBondContact O-N 3.04Å; V77-Y81 VanDerWaalsContact O-N 3.1Å; R78-Y81 CarbonylContact O-C 3.57Å; R78-Y81 PolarHBondContact O-N 3.22Å; E79-Y81 VanDerWaalsContact C-N 3.31Å; E79-Y81 PolarHBondContact O-N 3.1Å; Y81-L83 PolarHBondContact O-N 2.88Å
82G86.8Confident69Low65 Ų65101.1 Ų101.167%0.6753%0.53SS*.THydrogen-bonded Turntrans64.623.8-17700000113.5R78 E79 F80 E84R78-G82 PolarHBondContact O-N 2.86Å; R78-G82 VanDerWaalsContact O-N 3.12Å; E79-G82 PolarHBondContact O-N 2.94Å; F80-G82 VanDerWaalsContact C-N 3.28Å; G82-E84 PolarHBondContact O-N 3Å
83L85.8Confident66.6Low102 Ų102102.4 Ų102.453%0.53454%0.543SS..  trans-76.7122.5178.2-60.3177.8000109.1R78 Y81 S85R78-L83 HydrophobicContact CB-CB 4.17Å; R78-L83 HydrophobicContact CG-CB 4.35Å; R78-L83 HydrophobicContact CG-CD1 4.32Å; R78-L83 PolarHBondContact O-N 3.12Å; Y81-L83 PolarHBondContact O-N 2.88Å; L83-S85 PolarHBondContact O-N 3.47Å
84E68.6Low64.2Low167 Ų167104.4 Ų104.478%0.7856%0.561SS**  trans-55.2124.9176.6-66.4-176.6165.500110.5G82 K86G82-E84 PolarHBondContact O-N 3Å; E84-K86 VanDerWaalsContact C-N 3.31Å; E84-K86 PolarHBondContact O-N 3.37Å
85S57.7Low61.9Low73 Ų73113 Ų11351%0.5159%0.587SS.*  trans-65.895.6170.2-171.30000107.6E75 L83 K87E75-S85 PolarHBondContact OE2-OG 3.05Å; L83-S85 PolarHBondContact O-N 3.47Å; S85-K87 PolarHBondContact O-N 2.64Å
86K55.9Low59.4Low138 Ų138115.8 Ų115.860%0.660%0.601SS**  trans-68.783.3174.1-71.5-169.3179179.70108.6E84 G88E84-K86 VanDerWaalsContact C-N 3.31Å; E84-K86 PolarHBondContact O-N 3.37Å; K86-G88 PolarHBondContact O-N 3Å
87K48Very low56.9Low202 Ų202120.1 Ų120.188%0.87863%0.625SS**SBendtrans-60.688.5157.4-77.8-173.4176.6178.90107.5S85S85-K87 PolarHBondContact O-N 2.64Å
88G40.9Very low54.6Low64 Ų64126.5 Ų126.566%0.6665%0.646SS**SBendtrans75.686.8170.600000115.1K86K86-G88 PolarHBondContact O-N 3Å
89K38.7Very low52.3Low185 Ų185126.4 Ų126.480%0.80465%0.653SS**  trans172.5118.8137.8-94.7162.3-176.3-177.70109.3G91K89-G91 PolarHBondContact O-N 3.2Å
90K35.6Very low50Low227 Ų227124.5 Ų124.599%0.98764%0.644SS**  trans-54.6108.5171.6-74.9179.3173.5179.50108.7
91G38.9Very low47.4Very low41 Ų41128.6 Ų128.642%0.42367%0.669SS.*  trans-129.1153.1169.400000108.9K89K89-G91 PolarHBondContact O-N 3.2Å
92P37.2Very low45Very low125 Ų125132.7 Ų132.781%0.81268%0.684SS**  trans-75.4128-144.229-34.4000113.9
93A32.5Very low42.6Very low69 Ų69135.4 Ų135.457%0.5769%0.69SS**  23.495.2127.500000118.4L97A93-L97 VanDerWaalsContact CA-CD1 3.48Å; A93-L97 HydrophobicContact CB-CD1 3.25Å
94C31.9Very low40.2Very low101 Ų101136.5 Ų136.568%0.68270%0.7SS**  trans-178.1113.7152.3-128.90000106.9
95W36Very low38.7Very low243 Ų243136.7 Ų136.792%0.9272%0.718SS**SBendcis-143.31332.7-79.480.3000113.3
96M33.1Very low37.8Very low132 Ų132139.9 Ų139.965%0.6573%0.728SS**  trans-126.348.3-171.4-158.3176.3-80.300111.3W98 L99M96-W98 PolarHBondContact O-N 3.23Å; M96-W98 VanDerWaalsContact O-N 3.13Å; M96-L99 HydrophobicContact SD-CD1 4.18Å
97L32.9Very low36.8Very low116 Ų116139.9 Ų139.961%0.60774%0.735SS**THydrogen-bonded Turntrans-75.615175.2-118.8109.6000113.4A93 Q100A93-L97 VanDerWaalsContact CA-CD1 3.48Å; A93-L97 HydrophobicContact CB-CD1 3.25Å; L97-Q100 WeakPolarHBondContact O-CG 3.38Å
98W36.4Very low36.2Very low158 Ų158136.5 Ų136.560%0.59873%0.727SS**THydrogen-bonded Turntrans-134.427.2-171.9-110.273000114.1D43 M96 Q100D43-W98 WeakPolarHBondContact OD1-CZ3 3.46Å; M96-W98 PolarHBondContact O-N 3.23Å; M96-W98 VanDerWaalsContact O-N 3.13Å; W98-Q100 VanDerWaalsContact CD1-CD 3.49Å; W98-Q100 PolarHBondContact O-N 3.15Å
99L39.8Very low35.9Very low107 Ų107140.8 Ų140.856%0.5673%0.731SS**SBendtrans-86.949.5139.5-81.8168.2000107.5M96 D101M96-L99 HydrophobicContact SD-CD1 4.18Å; L99-D101 PolarHBondContact O-N 2.92Å
100Q37.7Very low35.7Very low107 Ų107138 Ų13850%0.573%0.727SS.*THydrogen-bonded Turntrans-54.1109.9-160.9-126.8161.32.800110.3L97 W98L97-Q100 WeakPolarHBondContact O-CG 3.38Å; W98-Q100 VanDerWaalsContact CD1-CD 3.49Å; W98-Q100 PolarHBondContact O-N 3.15Å
101D33.1Very low35.7Very low150 Ų150132.1 Ų132.180%0.80271%0.709SS**THydrogen-bonded Turntrans68.341.3159.3-61.6-29000120.3L99L99-D101 PolarHBondContact O-N 2.92Å
102R37.6Very low35.5Very low214 Ų214138.6 Ų138.681%0.80873%0.73SS**  trans-141.2129.1149.2-69.6-157.2-142.8-138.913.4115V104R102-V104 HydrophobicContact CB-CG2 4.46Å; R102-V104 PolarHBondContact O-N 2.96Å
103P35.5Very low35.4Very low123 Ų123139.6 Ų139.680%0.79972%0.723SS**  trans-70113.5154.330.6-26.4000107
104V35.6Very low35.6Very low125 Ų125145.5 Ų145.576%0.75874%0.736SS**  trans-93.395.8162.8-167.10000105.8R102R102-V104 HydrophobicContact CB-CG2 4.46Å; R102-V104 PolarHBondContact O-N 2.96Å
105C38Very low36Very low170 Ų170149.5 Ų149.5100%1.14974%0.741SS**  trans-131.40162.1-70.50000106.2

Retrieved 105 of 105 residues in 42.4 ms (Link to these results)