Z4YN92_MOUSE Loading...

A kinase anchor protein 17B

AlphaFold DB , UniProt , Accession Z4YN92, Species MOUSE (Mus musculus, Mouse), Gene Akap17b, Length 406 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
1M46.2Very low64.7Low241 Ų241143 Ų143100%1.18773%0.729SS**  01020-161.3171.5166.600105.9
2F46.1Very low66.4Low203 Ų203134.1 Ų134.189%0.8969%0.693SS**  trans-94.3124.7-173.5-80-80.9000109.8T4F2-T4 PolarHBondContact O-N 2.59Å
3D55.1Low67.8Low139 Ų139129.8 Ų129.874%0.74367%0.67SS**  trans-74.1112.9-177.7-168.9-6.8000110.3T5D3-T5 VanDerWaalsContact C-N 3.26Å; D3-T5 PolarHBondContact O-N 3.41Å; D3-T5 WeakPolarHBondContact OD1-CB 3.34Å; D3-T5 PolarHBondContact OD1-N 3.06Å; D3-T5 PolarHBondContact OD1-OG1 3.42Å
4T62Low69.2Low102 Ų102129.2 Ų129.263%0.62666%0.663SS**  trans-8714.7-177.348.80000113.2F2 K6 H7F2-T4 PolarHBondContact O-N 2.59Å; T4-K6 PolarHBondContact O-N 3.1Å; T4-H7 PolarHBondContact O-CD2 3.3Å; T4-H7 PolarHBondContact O-NE2 3.32Å; T4-H7 VanDerWaalsContact O-NE2 3.1Å
5T62.6Low70.6Confident111 Ų111131.9 Ų131.968%0.68166%0.661SS**  trans-95.126.1-166.8-31.70000114.3D3D3-T5 VanDerWaalsContact C-N 3.26Å; D3-T5 PolarHBondContact O-N 3.41Å; D3-T5 WeakPolarHBondContact OD1-CB 3.34Å; D3-T5 PolarHBondContact OD1-N 3.06Å; D3-T5 PolarHBondContact OD1-OG1 3.42Å
6K62.2Low71.8Confident200 Ų200132.3 Ų132.387%0.8765%0.652SS**  trans-138.469.5173.3-72.8-169.1-179.8178.70112.1T4T4-K6 PolarHBondContact O-N 3.1Å
7H66.4Low73Confident135 Ų135129.2 Ų129.263%0.62564%0.64SS**  trans-101.8104.7170.9-63-52.9000109.3T4T4-H7 PolarHBondContact O-CD2 3.3Å; T4-H7 PolarHBondContact O-NE2 3.32Å; T4-H7 VanDerWaalsContact O-NE2 3.1Å
8F65.5Low74.2Confident159 Ų159127.9 Ų127.970%0.69763%0.632SS**SBendtrans74.3133.5-179.3-50.3-76.1000115.7I13F8-I13 HydrophobicContact CB-CD1 4.29Å; F8-I13 HydrophobicContact CB-CG1 3.97Å
9S81.1Confident75.1Confident80 Ų80127.7 Ų127.756%0.55963%0.629SS**  trans-65.2144.3169.258.10000109.5G11 A12 I13S9-G11 PolarHBondContact O-N 3.42Å; S9-G11 VanDerWaalsContact O-N 3.14Å; S9-A12 WeakPolarHBondContact O-CA 3.45Å; S9-A12 WeakPolarHBondContact O-CB 3.45Å; S9-A12 PolarHBondContact O-N 3.3Å; S9-I13 PolarHBondContact O-N 2.93Å
10E79.7Confident76.1Confident170 Ų170128.6 Ų128.679%0.79463%0.625SS**Hα-helixtrans-55.8-34.3-178.7-162.4160.5-17100112A12 I13 Q14E10-A12 PolarHBondContact O-N 3.22Å; E10-I13 PolarHBondContact O-N 3.14Å; E10-Q14 WeakPolarHBondContact O-CB 3.34Å; E10-Q14 PolarHBondContact O-N 2.82Å
11G84.9Confident77Confident33 Ų33128.2 Ų128.234%0.3463%0.625SS.*Hα-helixtrans-68.4-24.3172.600000115.4S9 R15S9-G11 PolarHBondContact O-N 3.42Å; S9-G11 VanDerWaalsContact O-N 3.14Å; G11-R15 WeakPolarHBondContact O-CG 3.49Å; G11-R15 PolarHBondContact O-N 2.97Å; G11-R15 PolarHBondContact O-NE 3.38Å
12A85.1Confident79.4Confident36 Ų36123.2 Ų123.230%0.29860%0.597SS.*Hα-helixtrans-76.7-38.6172.300000111.2S9 E10 R15 R16S9-A12 WeakPolarHBondContact O-CA 3.45Å; S9-A12 WeakPolarHBondContact O-CB 3.45Å; S9-A12 PolarHBondContact O-N 3.3Å; E10-A12 PolarHBondContact O-N 3.22Å; A12-R15 PolarHBondContact O-N 3.45Å; A12-R16 WeakPolarHBondContact O-CB 3.41Å; A12-R16 PolarHBondContact O-N 3.38Å
13I84.3Confident81.7Confident78 Ų78119.1 Ų119.140%0.458%0.583SS.*Hα-helixtrans-64.1-44.2174.3-61.7172.4000109.9F8 S9 E10 R15 R16 N17F8-I13 HydrophobicContact CB-CD1 4.29Å; F8-I13 HydrophobicContact CB-CG1 3.97Å; S9-I13 PolarHBondContact O-N 2.93Å; E10-I13 PolarHBondContact O-N 3.14Å; I13-R15 PolarHBondContact O-N 3.29Å; I13-R16 PolarHBondContact O-N 3.49Å; I13-N17 WeakPolarHBondContact O-CB 3.36Å; I13-N17 VanDerWaalsContact O-CG 3.28Å; I13-N17 PolarHBondContact O-N 2.92Å
14Q88.2Confident83.5Confident122 Ų122117.9 Ų117.957%0.5757%0.573SS**Hα-helixtrans-63.5-42.1179.1-159.617516.100112.3E10 N17 Q18E10-Q14 WeakPolarHBondContact O-CB 3.34Å; E10-Q14 PolarHBondContact O-N 2.82Å; Q14-N17 PolarHBondContact O-N 3.31Å; Q14-Q18 WeakPolarHBondContact O-CG 3.34Å; Q14-Q18 PolarHBondContact O-N 3.36Å
15R89.1Confident85.1Confident169 Ų169119.4 Ų119.464%0.63857%0.573SS**Hα-helixtrans-60.7-46.2173.3-81.8-174.3-100.9-177.6-10112.5G11 A12 I13 N17 Q18 E19G11-R15 WeakPolarHBondContact O-CG 3.49Å; G11-R15 PolarHBondContact O-N 2.97Å; G11-R15 PolarHBondContact O-NE 3.38Å; A12-R15 PolarHBondContact O-N 3.45Å; I13-R15 PolarHBondContact O-N 3.29Å; R15-N17 VanDerWaalsContact C-N 3.3Å; R15-N17 PolarHBondContact O-N 3.06Å; R15-Q18 PolarHBondContact O-N 2.96Å; R15-E19 WeakPolarHBondContact O-CG 3.49Å; R15-E19 PolarHBondContact O-N 3.23Å
16R90.7Very high86.6Confident138 Ų138118.5 Ų118.552%0.52156%0.564SS.*Hα-helixtrans-61.3-38.4176.5-173.3179.5-174.3158.23.6112.4A12 I13 E19 R20A12-R16 WeakPolarHBondContact O-CB 3.41Å; A12-R16 PolarHBondContact O-N 3.38Å; I13-R16 PolarHBondContact O-N 3.49Å; R16-E19 PolarHBondContact O-N 3.21Å; R16-R20 WeakPolarHBondContact O-CG 3.48Å; R16-R20 PolarHBondContact O-N 3.48Å
17N91.6Very high88Confident81 Ų81114 Ų11443%0.43355%0.546SS..Hα-helixtrans-68.8-39.3177.4-72.5-14.7000111.7I13 Q14 R15 R20 L21I13-N17 WeakPolarHBondContact O-CB 3.36Å; I13-N17 VanDerWaalsContact O-CG 3.28Å; I13-N17 PolarHBondContact O-N 2.92Å; Q14-N17 PolarHBondContact O-N 3.31Å; R15-N17 VanDerWaalsContact C-N 3.3Å; R15-N17 PolarHBondContact O-N 3.06Å; N17-R20 PolarHBondContact O-N 2.98Å; N17-L21 PolarHBondContact O-N 3.32Å
18Q94.2Very high89.3Confident106 Ų106111.9 Ų111.950%0.49554%0.536SS..Hα-helixtrans-63.7-41173.3-71.6174.32.200112.1Q14 R15 L21 K22Q14-Q18 WeakPolarHBondContact O-CG 3.34Å; Q14-Q18 PolarHBondContact O-N 3.36Å; R15-Q18 PolarHBondContact O-N 2.96Å; Q18-L21 PolarHBondContact O-N 3.33Å; Q18-K22 WeakPolarHBondContact O-CG 3.47Å; Q18-K22 PolarHBondContact O-N 3.45Å
19E92.4Very high90.6Very high123 Ų123110.2 Ų110.258%0.57553%0.53SS*.Hα-helixtrans-63.3-42.8174.4-74174.5-175.900112.1R15 R16 L21 K22 L23R15-E19 WeakPolarHBondContact O-CG 3.49Å; R15-E19 PolarHBondContact O-N 3.23Å; R16-E19 PolarHBondContact O-N 3.21Å; E19-L21 VanDerWaalsContact C-N 3.33Å; E19-L21 PolarHBondContact O-N 2.93Å; E19-K22 PolarHBondContact O-N 3.05Å; E19-L23 WeakPolarHBondContact O-CG 3.4Å; E19-L23 PolarHBondContact O-N 3.36Å
20R94.1Very high91.2Very high145 Ų145115.4 Ų115.455%0.54754%0.538SS..Hα-helixtrans-59.4-43.3174.6-78.9176.4167.9-173.3-4.1112.1R16 N17 L23 Q24R16-R20 WeakPolarHBondContact O-CG 3.48Å; R16-R20 PolarHBondContact O-N 3.48Å; N17-R20 PolarHBondContact O-N 2.98Å; R20-L23 PolarHBondContact O-N 3.1Å; R20-Q24 WeakPolarHBondContact O-CB 3.18Å; R20-Q24 PolarHBondContact O-N 3.28Å
21L95.5Very high91.9Very high122 Ų122112.6 Ų112.664%0.63952%0.523SS*.Hα-helixtrans-63.6-44.3179-149.5108.3000111.3N17 Q18 E19 L23 Q24 E25N17-L21 PolarHBondContact O-N 3.32Å; Q18-L21 PolarHBondContact O-N 3.33Å; E19-L21 VanDerWaalsContact C-N 3.33Å; E19-L21 PolarHBondContact O-N 2.93Å; L21-L23 PolarHBondContact O-N 3.46Å; L21-Q24 PolarHBondContact O-N 3.34Å; L21-E25 PolarHBondContact O-N 3.49Å
22K95.8Very high92.4Very high136 Ų136116.9 Ų116.959%0.59153%0.532SS*.Hα-helixtrans-62.6-40175.7-73.1176.9179.4179.60112.7Q18 E19 E25 L26Q18-K22 WeakPolarHBondContact O-CG 3.47Å; Q18-K22 PolarHBondContact O-N 3.45Å; E19-K22 PolarHBondContact O-N 3.05Å; K22-E25 PolarHBondContact O-N 2.94Å; K22-L26 WeakPolarHBondContact O-CG 3.35Å; K22-L26 PolarHBondContact O-N 3.41Å; K22-L26 VanDerWaalsContact O-N 3.1Å
23L94.8Very high92.7Very high116 Ų116121.5 Ų121.561%0.60755%0.548SS*.Hα-helixtrans-66.6-39.5176.4-73.8173.5000111.9E19 R20 L21 L26 E27E19-L23 WeakPolarHBondContact O-CG 3.4Å; E19-L23 PolarHBondContact O-N 3.36Å; R20-L23 PolarHBondContact O-N 3.1Å; L21-L23 PolarHBondContact O-N 3.46Å; L23-L26 PolarHBondContact O-N 2.69Å; L23-E27 WeakPolarHBondContact O-CB 3.46Å; L23-E27 PolarHBondContact O-N 2.95Å
24Q94.4Very high93.2Very high113 Ų113124.7 Ų124.753%0.52856%0.559SS.*Hα-helixtrans-63.3-42.3176.4-173.9176.6-13.300111.4R20 L21 E27 E28R20-Q24 WeakPolarHBondContact O-CB 3.18Å; R20-Q24 PolarHBondContact O-N 3.28Å; L21-Q24 PolarHBondContact O-N 3.34Å; Q24-E27 PolarHBondContact O-N 3.48Å; Q24-E28 PolarHBondContact O-N 3.02Å
25E94.1Very high93.4Very high134 Ų134125.9 Ų125.963%0.62656%0.562SS**Hα-helixtrans-61.9-45.4175.9-170.6174.4-166.900112.1L21 K22 E27 E28 E29L21-E25 PolarHBondContact O-N 3.49Å; K22-E25 PolarHBondContact O-N 2.94Å; E25-E27 VanDerWaalsContact C-N 3.34Å; E25-E27 PolarHBondContact O-N 3.03Å; E25-E28 PolarHBondContact O-N 2.97Å; E25-E29 PolarHBondContact O-N 3.46Å
26L93.9Very high93.6Very high92 Ų92126.5 Ų126.548%0.48256%0.564SS.*Hα-helixtrans-63.9-36.2175.4-74.4172.2000112.9K22 L23 E29 R30K22-L26 WeakPolarHBondContact O-CG 3.35Å; K22-L26 PolarHBondContact O-N 3.41Å; K22-L26 VanDerWaalsContact O-N 3.1Å; L23-L26 PolarHBondContact O-N 2.69Å; L26-E29 PolarHBondContact O-N 2.92Å; L26-R30 WeakPolarHBondContact O-CG 3.31Å; L26-R30 PolarHBondContact O-N 3.44Å
27E91.6Very high93.7Very high106 Ų106126.8 Ų126.850%0.49557%0.572SS.*Hα-helixtrans-67.7-39.8176-163.8-171.9154.600111.3L23 Q24 E25 K31L23-E27 WeakPolarHBondContact O-CB 3.46Å; L23-E27 PolarHBondContact O-N 2.95Å; Q24-E27 PolarHBondContact O-N 3.48Å; E25-E27 VanDerWaalsContact C-N 3.34Å; E25-E27 PolarHBondContact O-N 3.03Å; E27-K31 WeakPolarHBondContact O-CB 3.45Å; E27-K31 VanDerWaalsContact O-CG 3.31Å; E27-K31 WeakPolarHBondContact O-CG 3.41Å; E27-K31 PolarHBondContact O-N 2.99Å; E27-K31 WeakPolarHBondContact OE1-CE 3.44Å; E27-K31 IonicContact OE1-NZ 3.83Å; E27-K31 PolarHBondContact OE1-NZ 2.87Å
28E93.7Very high93.8Very high91 Ų91129 Ų12943%0.42558%0.579SS.*Hα-helixtrans-65.2-40.2173.8-76-169.6-16900112.5Q24 E25 K31 K32Q24-E28 PolarHBondContact O-N 3.02Å; E25-E28 PolarHBondContact O-N 2.97Å; E28-K31 PolarHBondContact O-N 3.3Å; E28-K32 WeakPolarHBondContact O-CG 3.32Å; E28-K32 PolarHBondContact O-N 3.21Å; E28-K32 IonicContact OE2-NZ 2.9Å
29E93.7Very high93.7Very high123 Ų123128.3 Ų128.358%0.57558%0.576SS**Hα-helixtrans-62.9-47.5176.5-168173.9-160.200111.2E25 L26 K31 K32 E33E25-E29 PolarHBondContact O-N 3.46Å; L26-E29 PolarHBondContact O-N 2.92Å; E29-K31 VanDerWaalsContact C-N 3.3Å; E29-K31 PolarHBondContact O-N 3.26Å; E29-K32 PolarHBondContact O-N 3.12Å; E29-K32 VanDerWaalsContact O-N 3.11Å; E29-E33 PolarHBondContact O-N 3.24Å
30R94.3Very high93.8Very high190 Ų190126 Ų12672%0.71757%0.57SS**Hα-helixtrans-60.1-38.6174.1-74.2-176.3-178.6-166.21.6112.5L26 K34L26-R30 WeakPolarHBondContact O-CG 3.31Å; L26-R30 PolarHBondContact O-N 3.44Å; R30-K34 VanDerWaalsContact O-CB 3.29Å; R30-K34 WeakPolarHBondContact O-CB 3.5Å; R30-K34 PolarHBondContact O-N 3.47Å
31K94.6Very high93.7Very high111 Ų111121 Ų12148%0.48356%0.559SS.*Hα-helixtrans-65.1-40.6175.4-78.8173.9-175.5164.70111.5E27 E28 E29 K35E27-K31 WeakPolarHBondContact O-CB 3.45Å; E27-K31 VanDerWaalsContact O-CG 3.31Å; E27-K31 WeakPolarHBondContact O-CG 3.41Å; E27-K31 PolarHBondContact O-N 2.99Å; E27-K31 WeakPolarHBondContact OE1-CE 3.44Å; E27-K31 IonicContact OE1-NZ 3.83Å; E27-K31 PolarHBondContact OE1-NZ 2.87Å; E28-K31 PolarHBondContact O-N 3.3Å; E29-K31 VanDerWaalsContact C-N 3.3Å; E29-K31 PolarHBondContact O-N 3.26Å; K31-K35 VanDerWaalsContact O-CG 3.32Å; K31-K35 WeakPolarHBondContact O-CG 3.29Å; K31-K35 PolarHBondContact O-N 2.98Å; K31-K35 VanDerWaalsContact O-N 3.12Å
32K93.7Very high93.6Very high122 Ų122121.3 Ų121.353%0.5356%0.558SS.*Hα-helixtrans-67.3-42.5177.2-72.7169.5-171.9165.70111.4E28 E29 K35 R36E28-K32 WeakPolarHBondContact O-CG 3.32Å; E28-K32 PolarHBondContact O-N 3.21Å; E28-K32 IonicContact OE2-NZ 2.9Å; E29-K32 PolarHBondContact O-N 3.12Å; E29-K32 VanDerWaalsContact O-N 3.11Å; K32-K35 PolarHBondContact O-N 3.01Å; K32-R36 WeakPolarHBondContact O-CG 3.49Å; K32-R36 PolarHBondContact O-N 2.94Å; K32-R36 VanDerWaalsContact O-N 3.14Å
33E92.5Very high93.4Very high133 Ų133122.3 Ų122.362%0.62156%0.558SS**Hα-helixtrans-62.8-48.1176.1-174.1175.1-150.300111.6E29 K35 R36 E37E29-E33 PolarHBondContact O-N 3.24Å; E33-K35 VanDerWaalsContact C-N 3.28Å; E33-K35 PolarHBondContact O-N 2.65Å; E33-R36 WeakPolarHBondContact O-CB 3.32Å; E33-R36 PolarHBondContact O-N 2.92Å; E33-E37 PolarHBondContact O-N 2.88Å
34K94Very high93.5Very high146 Ų146123.1 Ų123.164%0.63556%0.556SS**Hα-helixtrans-56.9-41176.6-172.7178-179.6-177.60112.5R30 E37 E38R30-K34 VanDerWaalsContact O-CB 3.29Å; R30-K34 WeakPolarHBondContact O-CB 3.5Å; R30-K34 PolarHBondContact O-N 3.47Å; K34-E37 PolarHBondContact O-N 3.11Å; K34-E38 WeakPolarHBondContact O-CB 3.39Å; K34-E38 PolarHBondContact O-N 3.3Å
35K93.4Very high93.4Very high147 Ų147126.5 Ų126.564%0.63956%0.564SS**Hα-helixtrans-63.5-40.5175.9-76177.6-179-174.10112.5K31 K32 E33 E39K31-K35 VanDerWaalsContact O-CG 3.32Å; K31-K35 WeakPolarHBondContact O-CG 3.29Å; K31-K35 PolarHBondContact O-N 2.98Å; K31-K35 VanDerWaalsContact O-N 3.12Å; K32-K35 PolarHBondContact O-N 3.01Å; E33-K35 VanDerWaalsContact C-N 3.28Å; E33-K35 PolarHBondContact O-N 2.65Å; K35-E39 WeakPolarHBondContact O-CB 3.19Å; K35-E39 PolarHBondContact O-N 3.43Å
36R93.1Very high93.4Very high182 Ų182125.6 Ų125.669%0.68756%0.558SS**Hα-helixtrans-65.8-42.5177.1-69.9174.9-178.6-173.81.6111.4K32 E33 E39 V40K32-R36 WeakPolarHBondContact O-CG 3.49Å; K32-R36 PolarHBondContact O-N 2.94Å; K32-R36 VanDerWaalsContact O-N 3.14Å; E33-R36 WeakPolarHBondContact O-CB 3.32Å; E33-R36 PolarHBondContact O-N 2.92Å; R36-E39 PolarHBondContact O-N 3.12Å; R36-V40 VanDerWaalsContact O-CG2 3.29Å; R36-V40 WeakPolarHBondContact O-CG2 3.47Å; R36-V40 PolarHBondContact O-N 2.96Å
37E91.8Very high93.5Very high144 Ų144124.9 Ų124.967%0.67356%0.555SS**Hα-helixtrans-63.7-43.8177.8-169.5-177.9-179.800111.6E33 K34 V40 A41E33-E37 PolarHBondContact O-N 2.88Å; K34-E37 PolarHBondContact O-N 3.11Å; E37-V40 PolarHBondContact O-N 2.91Å; E37-A41 WeakPolarHBondContact O-CB 3.45Å; E37-A41 PolarHBondContact O-N 3.35Å
38E93.5Very high93.6Very high128 Ų128126.1 Ų126.160%0.59856%0.561SS**Hα-helixtrans-61.9-44.7176.6-175169.8-164.800112K34 V40 A41 E42K34-E38 WeakPolarHBondContact O-CB 3.39Å; K34-E38 PolarHBondContact O-N 3.3Å; E38-V40 VanDerWaalsContact C-N 3.34Å; E38-V40 PolarHBondContact O-N 3.2Å; E38-A41 PolarHBondContact O-N 2.86Å; E38-E42 WeakPolarHBondContact O-CB 3.44Å; E38-E42 PolarHBondContact O-N 2.9Å
39E93.9Very high93.8Very high90 Ų90126.4 Ų126.442%0.42157%0.569SS.*Hα-helixtrans-61.7-41.4176.3-172.3-174.9169.600111.8K35 R36 A41 E42 R43K35-E39 WeakPolarHBondContact O-CB 3.19Å; K35-E39 PolarHBondContact O-N 3.43Å; R36-E39 PolarHBondContact O-N 3.12Å; E39-A41 VanDerWaalsContact C-N 3.35Å; E39-E42 PolarHBondContact O-N 3.31Å; E39-R43 VanDerWaalsContact O-CG 3.31Å; E39-R43 WeakPolarHBondContact O-CG 3.45Å; E39-R43 PolarHBondContact O-N 3.42Å; E39-R43 IonicContact OE1-CZ 3.1Å; E39-R43 VanDerWaalsContact OE1-CZ 3.27Å; E39-R43 IonicContact OE1-NE 3.81Å; E39-R43 PolarHBondContact OE1-NE 3.5Å; E39-R43 IonicContact OE1-NH2 3.9Å; E39-R43 PolarHBondContact OE1-NH2 2.95Å
40V93.6Very high93.8Very high75 Ų75127.3 Ų127.346%0.45557%0.567SS.*Hα-helixtrans-64.7-41175.8170.80000110.9R36 E37 E38 R43 K44R36-V40 VanDerWaalsContact O-CG2 3.29Å; R36-V40 WeakPolarHBondContact O-CG2 3.47Å; R36-V40 PolarHBondContact O-N 2.96Å; E37-V40 PolarHBondContact O-N 2.91Å; E38-V40 VanDerWaalsContact C-N 3.34Å; E38-V40 PolarHBondContact O-N 3.2Å; V40-R43 PolarHBondContact O-N 2.82Å; V40-K44 HydrophobicContact CG1-CD 4.4Å; V40-K44 WeakPolarHBondContact O-CG 3.36Å; V40-K44 PolarHBondContact O-N 2.9Å
41A92.4Very high93.9Very high39 Ų39124.7 Ų124.732%0.32256%0.561SS.*Hα-helixtrans-64.9-39.4175.700000111.7E37 E38 E39 K44 R45E37-A41 WeakPolarHBondContact O-CB 3.45Å; E37-A41 PolarHBondContact O-N 3.35Å; E38-A41 PolarHBondContact O-N 2.86Å; E39-A41 VanDerWaalsContact C-N 3.35Å; A41-K44 PolarHBondContact O-N 2.82Å; A41-R45 WeakPolarHBondContact O-CG 3.41Å; A41-R45 PolarHBondContact O-N 3Å
42E92.6Very high94Very high130 Ų130122.2 Ų122.261%0.60756%0.56SS**Hα-helixtrans-65-44.8176.4-165.2-172.1169.100111.5E38 E39 K44 R45 K46E38-E42 WeakPolarHBondContact O-CB 3.44Å; E38-E42 PolarHBondContact O-N 2.9Å; E39-E42 PolarHBondContact O-N 3.31Å; E42-K44 VanDerWaalsContact C-N 3.34Å; E42-K44 PolarHBondContact O-N 2.97Å; E42-R45 PolarHBondContact O-N 2.87Å; E42-K46 WeakPolarHBondContact O-CB 3.46Å; E42-K46 PolarHBondContact O-N 3.14Å
43R92.9Very high94Very high157 Ų157121.6 Ų121.659%0.59256%0.56SS**Hα-helixtrans-58.8-44.6174.7-71.7176-176.7-156.32.8111.4E39 V40 R45 K46 D47E39-R43 VanDerWaalsContact O-CG 3.31Å; E39-R43 WeakPolarHBondContact O-CG 3.45Å; E39-R43 PolarHBondContact O-N 3.42Å; E39-R43 IonicContact OE1-CZ 3.1Å; E39-R43 VanDerWaalsContact OE1-CZ 3.27Å; E39-R43 IonicContact OE1-NE 3.81Å; E39-R43 PolarHBondContact OE1-NE 3.5Å; E39-R43 IonicContact OE1-NH2 3.9Å; E39-R43 PolarHBondContact OE1-NH2 2.95Å; V40-R43 PolarHBondContact O-N 2.82Å; R43-R45 PolarHBondContact O-N 2.78Å; R43-K46 PolarHBondContact O-N 3.01Å; R43-D47 PolarHBondContact O-N 3.4Å
44K95.1Very high94.2Very high132 Ų132121.6 Ų121.657%0.57456%0.559SS**Hα-helixtrans-59.3-47.1175.4-75175.9-179.7177.50112V40 A41 E42 K46 D47 E48V40-K44 HydrophobicContact CG1-CD 4.4Å; V40-K44 WeakPolarHBondContact O-CG 3.36Å; V40-K44 PolarHBondContact O-N 2.9Å; A41-K44 PolarHBondContact O-N 2.82Å; E42-K44 VanDerWaalsContact C-N 3.34Å; E42-K44 PolarHBondContact O-N 2.97Å; K44-K46 VanDerWaalsContact C-N 3.34Å; K44-K46 PolarHBondContact O-N 3.05Å; K44-D47 PolarHBondContact O-N 3.28Å; K44-E48 WeakPolarHBondContact O-CG 3.41Å; K44-E48 PolarHBondContact O-N 2.83Å
45R93.1Very high94.3Very high184 Ų184122 Ų12269%0.69456%0.562SS**Hα-helixtrans-60.2-43.5176.9-72.6176.7-179-1752.8111.6A41 E42 R43 D47 E48 V49A41-R45 WeakPolarHBondContact O-CG 3.41Å; A41-R45 PolarHBondContact O-N 3Å; E42-R45 PolarHBondContact O-N 2.87Å; R43-R45 PolarHBondContact O-N 2.78Å; R45-D47 PolarHBondContact O-N 3.28Å; R45-E48 PolarHBondContact O-N 3.24Å; R45-V49 VanDerWaalsContact O-CG2 3.3Å; R45-V49 WeakPolarHBondContact O-CG2 3.49Å; R45-V49 PolarHBondContact O-N 2.89Å
46K95Very high94.4Very high115 Ų115122.7 Ų122.750%0.556%0.56SS.*Hα-helixtrans-64.2-40.6179.4-166.7172.2-173.8170.70112.1E42 R43 K44 V49 R50E42-K46 WeakPolarHBondContact O-CB 3.46Å; E42-K46 PolarHBondContact O-N 3.14Å; R43-K46 PolarHBondContact O-N 3.01Å; K44-K46 VanDerWaalsContact C-N 3.34Å; K44-K46 PolarHBondContact O-N 3.05Å; K46-V49 PolarHBondContact O-N 3.27Å; K46-R50 WeakPolarHBondContact O-CG 3.36Å; K46-R50 PolarHBondContact O-N 3.13Å
47D94.8Very high94.6Very high77 Ų77119.8 Ų119.841%0.41255%0.552SS.*Hα-helixtrans-68.7-38.1177.2-74.8-17.7000112.4R43 K44 R45 R50 K51R43-D47 PolarHBondContact O-N 3.4Å; K44-D47 PolarHBondContact O-N 3.28Å; R45-D47 PolarHBondContact O-N 3.28Å; D47-R50 PolarHBondContact O-N 3.45Å; D47-K51 WeakPolarHBondContact O-CB 3.48Å; D47-K51 VanDerWaalsContact O-CG 3.31Å; D47-K51 WeakPolarHBondContact O-CG 3.29Å; D47-K51 PolarHBondContact O-N 3.18Å
48E95.2Very high94.9Very high133 Ų133118.6 Ų118.662%0.62155%0.545SS*.Hα-helixtrans-62.8-43.2172.8-74.7178.7-174.200112.1K44 R45 K51 A52K44-E48 WeakPolarHBondContact O-CG 3.41Å; K44-E48 PolarHBondContact O-N 2.83Å; R45-E48 PolarHBondContact O-N 3.24Å; E48-K51 PolarHBondContact O-N 2.82Å; E48-A52 WeakPolarHBondContact O-CB 3.31Å; E48-A52 PolarHBondContact O-N 3.05Å
49V95.9Very high95Very high96 Ų96115.3 Ų115.358%0.58254%0.54SS*.Hα-helixtrans-61.5-45.3175.6170.60000111.1R45 K46 A52 Q53R45-V49 VanDerWaalsContact O-CG2 3.3Å; R45-V49 WeakPolarHBondContact O-CG2 3.49Å; R45-V49 PolarHBondContact O-N 2.89Å; K46-V49 PolarHBondContact O-N 3.27Å; V49-A52 PolarHBondContact O-N 2.66Å; V49-Q53 WeakPolarHBondContact O-CB 3.45Å; V49-Q53 PolarHBondContact O-N 3.38Å
50R95.3Very high95.1Very high143 Ų143117.2 Ų117.254%0.5454%0.543SS..Hα-helixtrans-60.4-47.5176.2-75.1172.9172.3-178.1-5.5111.6K46 D47 A52 Q53 E54K46-R50 WeakPolarHBondContact O-CG 3.36Å; K46-R50 PolarHBondContact O-N 3.13Å; D47-R50 PolarHBondContact O-N 3.45Å; R50-A52 VanDerWaalsContact C-N 3.34Å; R50-A52 PolarHBondContact O-N 2.7Å; R50-Q53 PolarHBondContact O-N 2.83Å; R50-E54 PolarHBondContact O-N 3.33Å
51K96.5Very high95.2Very high135 Ų135118 Ų11859%0.58754%0.544SS*.Hα-helixtrans-60.7-41176.4-75.2174.1-178.71740112D47 E48 E54 K55D47-K51 WeakPolarHBondContact O-CB 3.48Å; D47-K51 VanDerWaalsContact O-CG 3.31Å; D47-K51 WeakPolarHBondContact O-CG 3.29Å; D47-K51 PolarHBondContact O-N 3.18Å; E48-K51 PolarHBondContact O-N 2.82Å; K51-E54 PolarHBondContact O-N 3.19Å; K51-K55 WeakPolarHBondContact O-CG 2.97Å; K51-K55 PolarHBondContact O-N 3.47Å
52A95.6Very high95.4Very high58 Ų58124.2 Ų124.248%0.47956%0.56SS.*Hα-helixtrans-65.6-42.2176.800000111.7E48 V49 R50 K55 R56E48-A52 WeakPolarHBondContact O-CB 3.31Å; E48-A52 PolarHBondContact O-N 3.05Å; V49-A52 PolarHBondContact O-N 2.66Å; R50-A52 VanDerWaalsContact C-N 3.34Å; R50-A52 PolarHBondContact O-N 2.7Å; A52-K55 PolarHBondContact O-N 3.05Å; A52-R56 PolarHBondContact O-N 2.98Å
53Q94.9Very high95.5Very high110 Ų110126 Ų12651%0.51456%0.561SS.*Hα-helixtrans-64.4-41.4177-167.6-176.612.400111.8V49 R50 R56 K57V49-Q53 WeakPolarHBondContact O-CB 3.45Å; V49-Q53 PolarHBondContact O-N 3.38Å; R50-Q53 PolarHBondContact O-N 2.83Å; Q53-R56 WeakPolarHBondContact O-CB 3.05Å; Q53-R56 PolarHBondContact O-N 3.43Å; Q53-K57 WeakPolarHBondContact O-CG 3.42Å; Q53-K57 PolarHBondContact O-N 2.65Å
54E95.6Very high95.6Very high132 Ų132127 Ų12762%0.61756%0.564SS**Hα-helixtrans-63.2-45.5176.3-167.3-172.3160.400111.6R50 K51 R56 K57 K58R50-E54 PolarHBondContact O-N 3.33Å; K51-E54 PolarHBondContact O-N 3.19Å; E54-R56 VanDerWaalsContact C-N 3.27Å; E54-R56 PolarHBondContact O-N 3.03Å; E54-K57 PolarHBondContact O-N 3.26Å; E54-K58 WeakPolarHBondContact O-CB 3.36Å; E54-K58 PolarHBondContact O-N 3.02Å
55K97Very high95.6Very high156 Ų156123.4 Ų123.468%0.67856%0.559SS**Hα-helixtrans-57.4-40.8173.2-73.7176.4-178.8-179.30111.7K51 A52 A59K51-K55 WeakPolarHBondContact O-CG 2.97Å; K51-K55 PolarHBondContact O-N 3.47Å; A52-K55 PolarHBondContact O-N 3.05Å; K55-A59 WeakPolarHBondContact O-CB 3.13Å; K55-A59 PolarHBondContact O-N 3Å
56R95.6Very high95.6Very high161 Ų161118.6 Ų118.661%0.60855%0.547SS*.Hα-helixtrans-65.3-41.8177-170.8-179.4-176.7-165.11.4112.1A52 Q53 E54 R60A52-R56 PolarHBondContact O-N 2.98Å; Q53-R56 WeakPolarHBondContact O-CB 3.05Å; Q53-R56 PolarHBondContact O-N 3.43Å; E54-R56 VanDerWaalsContact C-N 3.27Å; E54-R56 PolarHBondContact O-N 3.03Å; R56-R60 VanDerWaalsContact NH2-NH2 3.18Å; R56-R60 WeakPolarHBondContact O-CG 3.35Å; R56-R60 PolarHBondContact O-N 3.45Å; R56-R60 VanDerWaalsContact O-N 3.11Å
57K96.6Very high95.5Very high121 Ų121118.3 Ų118.353%0.52655%0.546SS..Hα-helixtrans-62.6-51.8174.8-72-179.4179.8-177.80110.8Q53 E54 A59 R60 D61Q53-K57 WeakPolarHBondContact O-CG 3.42Å; Q53-K57 PolarHBondContact O-N 2.65Å; E54-K57 PolarHBondContact O-N 3.26Å; K57-A59 VanDerWaalsContact C-N 3.28Å; K57-A59 PolarHBondContact O-N 3.36Å; K57-R60 WeakPolarHBondContact O-CA 3.3Å; K57-R60 WeakPolarHBondContact O-CB 3.46Å; K57-R60 PolarHBondContact O-N 3.31Å; K57-D61 PolarHBondContact O-N 3.26Å
58K97.1Very high95.4Very high118 Ų118121.3 Ų121.351%0.51356%0.557SS.*Hα-helixtrans-56.9-38.9177.8-169.6172.4-172.6168.70113.1E54 R62E54-K58 WeakPolarHBondContact O-CB 3.36Å; E54-K58 PolarHBondContact O-N 3.02Å; K58-R62 WeakPolarHBondContact O-CG 3.31Å; K58-R62 PolarHBondContact O-N 3.28Å
59A95.8Very high95.2Very high59 Ų59123 Ų12349%0.48856%0.558SS.*Hα-helixtrans-67.2-38.6175.500000112.6K55 K57 R63K55-A59 WeakPolarHBondContact O-CB 3.13Å; K55-A59 PolarHBondContact O-N 3Å; K57-A59 VanDerWaalsContact C-N 3.28Å; K57-A59 PolarHBondContact O-N 3.36Å; A59-R63 PolarHBondContact O-N 2.67Å; A59-R63 VanDerWaalsContact O-N 3.07Å
60R96Very high95Very high131 Ų131121.7 Ų121.749%0.49455%0.548SS..Hα-helixtrans-63.5-43.4174.8-74.1172.6173.2-170.2-3.7111.4R56 K57 R63 R64R56-R60 VanDerWaalsContact NH2-NH2 3.18Å; R56-R60 WeakPolarHBondContact O-CG 3.35Å; R56-R60 PolarHBondContact O-N 3.45Å; R56-R60 VanDerWaalsContact O-N 3.11Å; K57-R60 WeakPolarHBondContact O-CA 3.3Å; K57-R60 WeakPolarHBondContact O-CB 3.46Å; K57-R60 PolarHBondContact O-N 3.31Å; R60-R63 PolarHBondContact O-N 3.14Å; R60-R64 WeakPolarHBondContact O-CG 3.48Å; R60-R64 PolarHBondContact O-N 2.92Å
61D96.3Very high94.7Very high90 Ų90123 Ų12348%0.48155%0.553SS.*Hα-helixtrans-67.1-41.8-179.3-60.4-28.1000111.4K57 R63 R64 A65K57-D61 PolarHBondContact O-N 3.26Å; D61-R63 VanDerWaalsContact C-N 3.3Å; D61-R63 PolarHBondContact O-N 3.15Å; D61-R64 PolarHBondContact O-N 3Å; D61-R64 VanDerWaalsContact O-N 3.14Å; D61-A65 PolarHBondContact O-N 3.37Å
62R95.8Very high94.2Very high171 Ų171121.4 Ų121.465%0.64555%0.547SS*.Hα-helixtrans-58-41.1171.7-74.6175.8175.5-173.1-3.8112.5K58 L66K58-R62 WeakPolarHBondContact O-CG 3.31Å; K58-R62 PolarHBondContact O-N 3.28Å; R62-L66 WeakPolarHBondContact O-CB 3.42Å; R62-L66 PolarHBondContact O-N 3.33Å
63R94.9Very high93.6Very high168 Ų168127.1 Ų127.163%0.63456%0.556SS**Hα-helixtrans-66.5-37.6176.9-170179.4-176.4-1591.8111.8A59 R60 D61 K67A59-R63 PolarHBondContact O-N 2.67Å; A59-R63 VanDerWaalsContact O-N 3.07Å; R60-R63 PolarHBondContact O-N 3.14Å; D61-R63 VanDerWaalsContact C-N 3.3Å; D61-R63 PolarHBondContact O-N 3.15Å; R63-K67 WeakPolarHBondContact O-CG 3.43Å; R63-K67 PolarHBondContact O-N 2.85Å; R63-K67 VanDerWaalsContact O-N 3.12Å
64R94.9Very high93Very high176 Ų176127.4 Ų127.466%0.66456%0.558SS**Hα-helixtrans-66-49.2175.7-71.9176.2179.3-174.3-2.5111.1R60 D61 L66 K67 E68R60-R64 WeakPolarHBondContact O-CG 3.48Å; R60-R64 PolarHBondContact O-N 2.92Å; D61-R64 PolarHBondContact O-N 3Å; D61-R64 VanDerWaalsContact O-N 3.14Å; R64-L66 VanDerWaalsContact C-N 3.3Å; R64-L66 PolarHBondContact O-N 3.44Å; R64-K67 PolarHBondContact O-N 3.42Å; R64-E68 PolarHBondContact O-N 3.01Å
65A95.1Very high92.2Very high57 Ų57129.9 Ų129.947%0.47156%0.561SS.*Hα-helixtrans-59.1-40.2177.700000112.4D61 E68 R69D61-A65 PolarHBondContact O-N 3.37Å; A65-E68 PolarHBondContact O-N 3.49Å; A65-R69 WeakPolarHBondContact O-CB 3.35Å; A65-R69 PolarHBondContact O-N 3.27Å
66L93.8Very high91.2Very high83 Ų83128.1 Ų128.144%0.43555%0.554SS.*Hα-helixtrans-64.1-47.7176.1-17462.9000111.7R62 R64 E68 R69 D70R62-L66 WeakPolarHBondContact O-CB 3.42Å; R62-L66 PolarHBondContact O-N 3.33Å; R64-L66 VanDerWaalsContact C-N 3.3Å; R64-L66 PolarHBondContact O-N 3.44Å; L66-E68 VanDerWaalsContact C-N 3.29Å; L66-E68 PolarHBondContact O-N 2.97Å; L66-R69 VanDerWaalsContact CD1-NH2 3.35Å; L66-R69 PolarHBondContact O-N 3.24Å; L66-D70 VanDerWaalsContact O-CG 3.28Å; L66-D70 PolarHBondContact O-N 2.93Å
67K93.4Very high90.3Very high109 Ų109125.8 Ų125.847%0.47455%0.55SS..Hα-helixtrans-59.4-39.1177.2-76.1179.8174.5-164.80112.5R63 R64 D70 R71R63-K67 WeakPolarHBondContact O-CG 3.43Å; R63-K67 PolarHBondContact O-N 2.85Å; R63-K67 VanDerWaalsContact O-N 3.12Å; R64-K67 PolarHBondContact O-N 3.42Å; K67-D70 PolarHBondContact O-N 3.43Å; K67-R71 VanDerWaalsContact O-CG 3.32Å; K67-R71 WeakPolarHBondContact O-CG 3.08Å; K67-R71 PolarHBondContact O-N 2.84Å
68E91.7Very high89Confident140 Ų140127.5 Ų127.565%0.65456%0.557SS**Hα-helixtrans-67.2-43.8177.7-173.6172.9-170.200111.7R64 A65 L66 D70 R71 H72R64-E68 PolarHBondContact O-N 3.01Å; A65-E68 PolarHBondContact O-N 3.49Å; L66-E68 VanDerWaalsContact C-N 3.29Å; L66-E68 PolarHBondContact O-N 2.97Å; E68-D70 VanDerWaalsContact C-N 3.31Å; E68-D70 PolarHBondContact O-N 2.69Å; E68-R71 PolarHBondContact O-N 3Å; E68-H72 PolarHBondContact O-N 2.91Å
69R91Very high87.6Confident170 Ų170127.4 Ų127.464%0.64257%0.566SS**Hα-helixtrans-60.8-41.3174.5-168.2-179.170.11752.9111.9A65 L66 H72 R73A65-R69 WeakPolarHBondContact O-CB 3.35Å; A65-R69 PolarHBondContact O-N 3.27Å; L66-R69 VanDerWaalsContact CD1-NH2 3.35Å; L66-R69 PolarHBondContact O-N 3.24Å; R69-H72 PolarHBondContact O-N 3.49Å; R69-R73 PolarHBondContact O-N 3.43Å
70D91.1Very high86.1Confident67 Ų67133.1 Ų133.136%0.35858%0.58SS.*Hα-helixtrans-66.8-41.2178.7-68.5-13.7000111.6L66 K67 E68 H72 R73 Q74L66-D70 VanDerWaalsContact O-CG 3.28Å; L66-D70 PolarHBondContact O-N 2.93Å; K67-D70 PolarHBondContact O-N 3.43Å; E68-D70 VanDerWaalsContact C-N 3.31Å; E68-D70 PolarHBondContact O-N 2.69Å; D70-H72 VanDerWaalsContact C-N 3.32Å; D70-H72 PolarHBondContact O-N 3.22Å; D70-R73 PolarHBondContact O-N 3.04Å; D70-Q74 WeakPolarHBondContact O-CG 3.35Å; D70-Q74 PolarHBondContact O-N 3.36Å
71R89.8Confident84.2Confident171 Ų171131.5 Ų131.565%0.64559%0.585SS**Hα-helixtrans-58.5-43.9172.2-75.5173.4177.1-171.8-3.2111.9K67 E68 R73 Q74 R75K67-R71 VanDerWaalsContact O-CG 3.32Å; K67-R71 WeakPolarHBondContact O-CG 3.08Å; K67-R71 PolarHBondContact O-N 2.84Å; E68-R71 PolarHBondContact O-N 3Å; R71-R73 VanDerWaalsContact C-N 3.35Å; R71-Q74 PolarHBondContact O-N 3.43Å; R71-R75 WeakPolarHBondContact O-CG 3.25Å; R71-R75 PolarHBondContact O-N 3.3Å
72H86.6Confident82.2Confident101 Ų101135 Ų13547%0.46860%0.596SS.*Hα-helixtrans-66.9-36.7178.3-178-113.7000112.2E68 R69 D70 R75 K76E68-H72 PolarHBondContact O-N 2.91Å; R69-H72 PolarHBondContact O-N 3.49Å; D70-H72 VanDerWaalsContact C-N 3.32Å; D70-H72 PolarHBondContact O-N 3.22Å; H72-R75 PolarHBondContact O-N 3.42Å; H72-K76 WeakPolarHBondContact CE1-CE 3.26Å; H72-K76 PolarHBondContact CE1-NZ 3.36Å; H72-K76 WeakPolarHBondContact NE2-CE 2.97Å; H72-K76 WeakPolarHBondContact O-CG 3.24Å; H72-K76 PolarHBondContact O-N 3.24Å
73R83.5Confident80.1Confident179 Ų179132.6 Ų132.668%0.67560%0.602SS**Hα-helixtrans-63.1-47.8172.8-172.5178.5178.9177.90.8111.4R69 D70 R71 R75 K76 E77R69-R73 PolarHBondContact O-N 3.43Å; D70-R73 PolarHBondContact O-N 3.04Å; R71-R73 VanDerWaalsContact C-N 3.35Å; R73-R75 VanDerWaalsContact C-N 3.32Å; R73-R75 PolarHBondContact O-N 2.9Å; R73-K76 PolarHBondContact O-N 2.86Å; R73-K76 VanDerWaalsContact O-N 3.15Å; R73-E77 WeakPolarHBondContact O-CB 3.4Å; R73-E77 PolarHBondContact O-N 2.93Å
74Q81.8Confident78Confident116 Ų116131.6 Ų131.654%0.54261%0.605SS.*Hα-helixtrans-60-40.9177.2-72.7178.90.200112.3D70 R71 E77 K78D70-Q74 WeakPolarHBondContact O-CG 3.35Å; D70-Q74 PolarHBondContact O-N 3.36Å; R71-Q74 PolarHBondContact O-N 3.43Å; Q74-E77 PolarHBondContact O-N 3.4Å; Q74-K78 WeakPolarHBondContact O-CB 3.35Å; Q74-K78 WeakPolarHBondContact O-CG 3.35Å; Q74-K78 PolarHBondContact O-N 3.24Å
75R79.1Confident76Confident183 Ų183126.6 Ų126.669%0.69160%0.601SS**Hα-helixtrans-62.1-44.1174.6-74178.6179.2-176.4-1.7111.7R71 H72 R73 E77 V79R71-R75 WeakPolarHBondContact O-CG 3.25Å; R71-R75 PolarHBondContact O-N 3.3Å; H72-R75 PolarHBondContact O-N 3.42Å; R73-R75 VanDerWaalsContact C-N 3.32Å; R73-R75 PolarHBondContact O-N 2.9Å; R75-E77 VanDerWaalsContact C-N 3.33Å; R75-E77 PolarHBondContact O-N 2.99Å; R75-V79 VanDerWaalsContact O-CG2 3.29Å; R75-V79 WeakPolarHBondContact O-CG2 3.33Å; R75-V79 PolarHBondContact O-N 2.92Å; R75-V79 VanDerWaalsContact O-N 3.13Å
76K76.3Confident73.9Confident119 Ų119134.9 Ų134.952%0.51762%0.62SS.*Hα-helixtrans-65.7-35.2177.6-76.8-176.4166.7-175.30113.1H72 R73 K80H72-K76 WeakPolarHBondContact CE1-CE 3.26Å; H72-K76 PolarHBondContact CE1-NZ 3.36Å; H72-K76 WeakPolarHBondContact NE2-CE 2.97Å; H72-K76 WeakPolarHBondContact O-CG 3.24Å; H72-K76 PolarHBondContact O-N 3.24Å; R73-K76 PolarHBondContact O-N 2.86Å; R73-K76 VanDerWaalsContact O-N 3.15Å; K76-K80 WeakPolarHBondContact O-CG 3.48Å; K76-K80 PolarHBondContact O-N 2.94Å
77E75.9Confident72Confident112 Ų112137.8 Ų137.852%0.52363%0.632SS.*Hα-helixtrans-69.4-50.8176.1-166.4163.4-16900110.4R73 Q74 R75 V79 K80 T81R73-E77 WeakPolarHBondContact O-CB 3.4Å; R73-E77 PolarHBondContact O-N 2.93Å; Q74-E77 PolarHBondContact O-N 3.4Å; R75-E77 VanDerWaalsContact C-N 3.33Å; R75-E77 PolarHBondContact O-N 2.99Å; E77-V79 PolarHBondContact O-N 3.03Å; E77-V79 VanDerWaalsContact O-N 3.11Å; E77-K80 WeakPolarHBondContact O-CA 3.45Å; E77-K80 PolarHBondContact O-N 3.34Å; E77-T81 PolarHBondContact O-N 2.93Å; E77-T81 PolarHBondContact O-OG1 3.4Å
78K69.6Low70Confident157 Ų157138.9 Ų138.968%0.68364%0.639SS**Hα-helixtrans-55.7-31.3175.7-72.4-175.9178.7-163.60114.5Q74Q74-K78 WeakPolarHBondContact O-CB 3.35Å; Q74-K78 WeakPolarHBondContact O-CG 3.35Å; Q74-K78 PolarHBondContact O-N 3.24Å
79V67.1Low68.3Low116 Ų116138.3 Ų138.370%0.70364%0.639SS**Hα-helixtrans-74.7-32.5175.3171.60000111.8R75 E77R75-V79 VanDerWaalsContact O-CG2 3.29Å; R75-V79 WeakPolarHBondContact O-CG2 3.33Å; R75-V79 PolarHBondContact O-N 2.92Å; R75-V79 VanDerWaalsContact O-N 3.13Å; E77-V79 PolarHBondContact O-N 3.03Å; E77-V79 VanDerWaalsContact O-N 3.11Å
80K64Low66.6Low179 Ų179136.2 Ų136.278%0.77864%0.641SS**Hα-helixtrans-84.2-26.5-179.3-70.6-179177.7-163.80113.2K76 E77 K82K76-K80 WeakPolarHBondContact O-CG 3.48Å; K76-K80 PolarHBondContact O-N 2.94Å; E77-K80 WeakPolarHBondContact O-CA 3.45Å; E77-K80 PolarHBondContact O-N 3.34Å; K80-K82 VanDerWaalsContact C-N 3.31Å; K80-K82 PolarHBondContact O-N 3.31Å
81T57.1Low65.1Low98 Ų98135.7 Ų135.760%0.60164%0.642SS**THydrogen-bonded Turntrans-89.120.6179.7-15.50000114.2E77 P83E77-T81 PolarHBondContact O-N 2.93Å; E77-T81 PolarHBondContact O-OG1 3.4Å; T81-P83 WeakPolarHBondContact O-CD 3.49Å
82K54Low64.2Low164 Ų164131 Ų13171%0.71364%0.635SS**  trans-97.682.2168.4-79.7-168.4170.3-159.70112.2K80K80-K82 VanDerWaalsContact C-N 3.31Å; K80-K82 PolarHBondContact O-N 3.31Å
83P51.8Low63.7Low119 Ų119127.7 Ų127.777%0.77363%0.629SS**  trans-102.75.6156.235.9-29.2000113.2T81T81-P83 WeakPolarHBondContact O-CD 3.49Å
84E50.9Low63.5Low147 Ų147123.9 Ų123.969%0.68762%0.619SS**  trans-102.126.9-169.8-139.7169.9-152.100114.3R86E84-R86 PolarHBondContact O-N 3.4Å; E84-R86 VanDerWaalsContact O-N 3.11Å
85A51.7Low63.2Low72 Ų72124.8 Ų124.860%0.59562%0.618SS**THydrogen-bonded Turntrans-74.75.2-17500000115.2
86R51.8Low63.4Low231 Ų231122.7 Ų122.787%0.87262%0.615SS**THydrogen-bonded Turntrans-98-20.2-179.2-70.5-170.9177.6-156.3-1.2114.2E84E84-R86 PolarHBondContact O-N 3.4Å; E84-R86 VanDerWaalsContact O-N 3.11Å
87Q52.9Low63.9Low143 Ų143123.4 Ų123.467%0.66862%0.621SS**THydrogen-bonded Turntrans-99.2-17.5-174.8-148.2168.417.600113.5L89Q87-L89 VanDerWaalsContact C-N 3.34Å
88E52.5Low64.6Low133 Ų133124 Ų12462%0.62162%0.618SS**Hα-helixtrans-73.4-22.7176.9-74-174.7161.100113.3S91 S92E88-S91 PolarHBondContact O-N 3.18Å; E88-S91 PolarHBondContact O-OG 3.33Å; E88-S92 PolarHBondContact O-N 3.24Å
89L55.2Low65.4Low128 Ų128123.5 Ų123.567%0.6762%0.616SS**Hα-helixtrans-68-40.4-177.5-71.7170.7000112.5Q87 S91 S92Q87-L89 VanDerWaalsContact C-N 3.34Å; L89-S91 VanDerWaalsContact C-N 3.31Å; L89-S91 PolarHBondContact O-N 2.94Å; L89-S92 WeakPolarHBondContact O-CB 3.48Å; L89-S92 PolarHBondContact O-N 2.92Å
90D55Low66.6Low126 Ų126125.4 Ų125.467%0.67461%0.612SS**Hα-helixtrans-67.1-34.4179-67.4-21.6000111.6S92D90-S92 VanDerWaalsContact C-N 3.3Å; D90-S92 PolarHBondContact O-N 3.11Å
91S61.6Low68.1Low56 Ų56120.8 Ų120.839%0.39260%0.595SS.*Hα-helixtrans-67.8-28.9176.376.40000113.3E88 L89E88-S91 PolarHBondContact O-N 3.18Å; E88-S91 PolarHBondContact O-OG 3.33Å; L89-S91 VanDerWaalsContact C-N 3.31Å; L89-S91 PolarHBondContact O-N 2.94Å
92S69Low69.8Low71 Ų71118.7 Ų118.750%0.49758%0.58SS.*Hα-helixtrans-68.4-38.2-179.1-171.50000112.3E88 L89 D90 W95 E96E88-S92 PolarHBondContact O-N 3.24Å; L89-S92 WeakPolarHBondContact O-CB 3.48Å; L89-S92 PolarHBondContact O-N 2.92Å; D90-S92 VanDerWaalsContact C-N 3.3Å; D90-S92 PolarHBondContact O-N 3.11Å; S92-W95 PolarHBondContact O-N 3.04Å; S92-E96 PolarHBondContact O-N 3.14Å
93G76.8Confident71.7Confident33 Ų33113.3 Ų113.334%0.3457%0.566SS.*Hα-helixtrans-64.7-45179.100000112.4W95 E96 E97G93-W95 VanDerWaalsContact C-N 3.26Å; G93-W95 PolarHBondContact O-N 3.49Å; G93-E96 WeakPolarHBondContact O-CB 3.32Å; G93-E96 PolarHBondContact O-N 3.25Å; G93-E97 PolarHBondContact O-N 3.31Å
94E79.9Confident73.6Confident98 Ų98114.1 Ų114.146%0.45855%0.554SS.*Hα-helixtrans-59.5-35.5178.8-65.3-174-173.500113.1E96 R98E94-E96 VanDerWaalsContact C-N 3.35Å; E94-R98 VanDerWaalsContact O-CG 3.27Å; E94-R98 WeakPolarHBondContact O-CG 3.37Å; E94-R98 PolarHBondContact O-N 3.36Å; E94-R98 IonicContact OE2-CZ 2.92Å; E94-R98 IonicContact OE2-NH2 3.27Å; E94-R98 PolarHBondContact OE2-NH2 3.22Å
95W74.6Confident75.7Confident136 Ų136115.2 Ų115.252%0.51555%0.552SS.*Hα-helixtrans-69.5-34.6177.3-85.7106.1000112.6S92 G93 K99S92-W95 PolarHBondContact O-N 3.04Å; G93-W95 VanDerWaalsContact C-N 3.26Å; G93-W95 PolarHBondContact O-N 3.49Å; W95-K99 WeakPolarHBondContact O-CG 3.49Å; W95-K99 PolarHBondContact O-N 2.92Å; W95-K99 VanDerWaalsContact O-N 3.1Å
96E84.6Confident77.6Confident138 Ų138118.9 Ų118.965%0.64555%0.55SS*.Hα-helixtrans-70.8-40.4177.1-163.7143.2-14700111.1S92 G93 E94 R98 K99 Y100S92-E96 PolarHBondContact O-N 3.14Å; G93-E96 WeakPolarHBondContact O-CB 3.32Å; G93-E96 PolarHBondContact O-N 3.25Å; E94-E96 VanDerWaalsContact C-N 3.35Å; E96-R98 PolarHBondContact O-N 3.21Å; E96-K99 WeakPolarHBondContact O-CB 3.34Å; E96-K99 PolarHBondContact O-N 2.95Å; E96-Y100 PolarHBondContact O-N 3.45Å
97E86.9Confident79.6Confident134 Ų134111.2 Ų111.263%0.62653%0.529SS*.Hα-helixtrans-61.5-42.7172.1-69.7179-176.700112.4G93 K99 Y100 L101G93-E97 PolarHBondContact O-N 3.31Å; E97-K99 VanDerWaalsContact C-N 3.35Å; E97-K99 PolarHBondContact O-N 2.84Å; E97-Y100 WeakPolarHBondContact O-CB 3.27Å; E97-Y100 PolarHBondContact O-N 3.09Å; E97-L101 WeakPolarHBondContact O-CG 3.47Å; E97-L101 PolarHBondContact O-N 3.07Å
98R89.7Confident81.5Confident125 Ų125108.2 Ų108.247%0.47252%0.515SS..Hα-helixtrans-62.8-40175.6-73.2172.4-168.5149.315112E94 E96 L101 L102E94-R98 VanDerWaalsContact O-CG 3.27Å; E94-R98 WeakPolarHBondContact O-CG 3.37Å; E94-R98 PolarHBondContact O-N 3.36Å; E94-R98 IonicContact OE2-CZ 2.92Å; E94-R98 IonicContact OE2-NH2 3.27Å; E94-R98 PolarHBondContact OE2-NH2 3.22Å; E96-R98 PolarHBondContact O-N 3.21Å; R98-L101 PolarHBondContact O-N 3Å; R98-L102 WeakPolarHBondContact O-CB 3.49Å; R98-L102 PolarHBondContact O-N 3.23Å
99K87.1Confident83.4Confident147 Ų147104.6 Ų104.664%0.63951%0.507SS*.Hα-helixtrans-63.5-42.3174.5-74.6173.6-175.7173.70111.3W95 E96 E97 L102 A103W95-K99 WeakPolarHBondContact O-CG 3.49Å; W95-K99 PolarHBondContact O-N 2.92Å; W95-K99 VanDerWaalsContact O-N 3.1Å; E96-K99 WeakPolarHBondContact O-CB 3.34Å; E96-K99 PolarHBondContact O-N 2.95Å; E97-K99 VanDerWaalsContact C-N 3.35Å; E97-K99 PolarHBondContact O-N 2.84Å; K99-L102 PolarHBondContact O-N 2.93Å; K99-A103 WeakPolarHBondContact O-CB 3.45Å; K99-A103 PolarHBondContact O-N 3.06Å
100Y92.1Very high85.2Confident156 Ų156102.8 Ų102.861%0.61250%0.498SS*.Hα-helixtrans-62-46.8177178.2-98.1000112E96 E97 L102 A103 R104E96-Y100 PolarHBondContact O-N 3.45Å; E97-Y100 WeakPolarHBondContact O-CB 3.27Å; E97-Y100 PolarHBondContact O-N 3.09Å; Y100-L102 VanDerWaalsContact C-N 3.31Å; Y100-L102 PolarHBondContact O-N 2.98Å; Y100-A103 PolarHBondContact O-N 2.95Å; Y100-R104 WeakPolarHBondContact O-CB 3.36Å; Y100-R104 PolarHBondContact O-N 3.19Å
101L94.3Very high87Confident82 Ų82104.4 Ų104.443%0.42949%0.494SS..Hα-helixtrans-61.5-39.5176.6-70.6175.1000112.3E97 R98 R104 R105E97-L101 WeakPolarHBondContact O-CG 3.47Å; E97-L101 PolarHBondContact O-N 3.07Å; R98-L101 PolarHBondContact O-N 3Å; L101-R104 PolarHBondContact O-N 2.98Å; L101-R105 WeakPolarHBondContact O-CG 3.11Å; L101-R105 PolarHBondContact O-N 2.97Å
102L94.4Very high88.6Confident53 Ų53107.3 Ų107.328%0.27751%0.505SS..Hα-helixtrans-66.3-43.3176.1-17463.9000111.7R98 K99 Y100 R104 R105 R106R98-L102 WeakPolarHBondContact O-CB 3.49Å; R98-L102 PolarHBondContact O-N 3.23Å; K99-L102 PolarHBondContact O-N 2.93Å; Y100-L102 VanDerWaalsContact C-N 3.31Å; Y100-L102 PolarHBondContact O-N 2.98Å; L102-R104 VanDerWaalsContact C-N 3.34Å; L102-R105 PolarHBondContact O-N 3.01Å; L102-R106 VanDerWaalsContact O-CG 3.29Å; L102-R106 WeakPolarHBondContact O-CG 3.47Å; L102-R106 PolarHBondContact O-N 2.8Å
103A92.3Very high89.8Confident51 Ų51107.7 Ų107.742%0.42150%0.501SS..Hα-helixtrans-60.7-44.7175.500000111.2K99 Y100 R106 V107K99-A103 WeakPolarHBondContact O-CB 3.45Å; K99-A103 PolarHBondContact O-N 3.06Å; Y100-A103 PolarHBondContact O-N 2.95Å; A103-R106 PolarHBondContact O-N 3Å; A103-V107 WeakPolarHBondContact O-CG2 3.35Å; A103-V107 PolarHBondContact O-N 3.4Å
104R91.6Very high90.5Very high137 Ų137111 Ų11152%0.51750%0.503SS..Hα-helixtrans-59-49175.6-178176.5170.7-179.4-0.5112Y100 L101 L102 R106 V107 E108Y100-R104 WeakPolarHBondContact O-CB 3.36Å; Y100-R104 PolarHBondContact O-N 3.19Å; L101-R104 PolarHBondContact O-N 2.98Å; L102-R104 VanDerWaalsContact C-N 3.34Å; R104-R106 VanDerWaalsContact C-N 3.32Å; R104-R106 PolarHBondContact O-N 2.84Å; R104-V107 PolarHBondContact O-N 3.47Å; R104-E108 IonicContact CZ-OE1 3.26Å; R104-E108 IonicContact NE-OE1 2.65Å; R104-E108 PolarHBondContact NE-OE1 2.8Å; R104-E108 VanDerWaalsContact NE-OE1 3.1Å; R104-E108 IonicContact NH2-OE1 3.84Å; R104-E108 WeakPolarHBondContact O-CG 3.06Å; R104-E108 PolarHBondContact O-N 3.33Å
105R94.7Very high91.2Very high170 Ų170110.1 Ų110.164%0.64251%0.505SS*.Hα-helixtrans-60.5-39.3176.8-72.9176.2-173.4169.22.9112.4L101 L102 E108 A109L101-R105 WeakPolarHBondContact O-CG 3.11Å; L101-R105 PolarHBondContact O-N 2.97Å; L102-R105 PolarHBondContact O-N 3.01Å; R105-E108 PolarHBondContact O-N 3.3Å; R105-A109 WeakPolarHBondContact O-CB 3.28Å; R105-A109 PolarHBondContact O-N 3.16Å
106R92.7Very high92.1Very high149 Ų149108.4 Ų108.456%0.56251%0.505SS*.Hα-helixtrans-63.1-42.5176.1-74.6173.9179-173.10.5111.9L102 A103 R104 A109 L110L102-R106 VanDerWaalsContact O-CG 3.29Å; L102-R106 WeakPolarHBondContact O-CG 3.47Å; L102-R106 PolarHBondContact O-N 2.8Å; A103-R106 PolarHBondContact O-N 3Å; R104-R106 VanDerWaalsContact C-N 3.32Å; R104-R106 PolarHBondContact O-N 2.84Å; R106-A109 PolarHBondContact O-N 3.12Å; R106-L110 WeakPolarHBondContact O-CG 3.42Å; R106-L110 PolarHBondContact O-N 3.35Å
107V93.3Very high92.4Very high70 Ų70103.1 Ų103.142%0.42448%0.481SS..Hα-helixtrans-64.5-44.5176.5172.50000111A103 R104 L110 R111A103-V107 WeakPolarHBondContact O-CG2 3.35Å; A103-V107 PolarHBondContact O-N 3.4Å; R104-V107 PolarHBondContact O-N 3.47Å; V107-L110 PolarHBondContact O-N 3Å; V107-R111 WeakPolarHBondContact O-CG 3.23Å; V107-R111 PolarHBondContact O-N 3.14Å
108E92.9Very high92.5Very high80 Ų80102.5 Ų102.537%0.37448%0.476SS..Hα-helixtrans-62.7-42.1176.7-72174.2-171.500111.8R104 R105 L110 R111 L112R104-E108 IonicContact CZ-OE1 3.26Å; R104-E108 IonicContact NE-OE1 2.65Å; R104-E108 PolarHBondContact NE-OE1 2.8Å; R104-E108 VanDerWaalsContact NE-OE1 3.1Å; R104-E108 IonicContact NH2-OE1 3.84Å; R104-E108 WeakPolarHBondContact O-CG 3.06Å; R104-E108 PolarHBondContact O-N 3.33Å; R105-E108 PolarHBondContact O-N 3.3Å; E108-L110 PolarHBondContact O-N 2.9Å; E108-R111 WeakPolarHBondContact O-CB 3.16Å; E108-R111 PolarHBondContact O-N 2.71Å; E108-L112 WeakPolarHBondContact O-CG 3.4Å; E108-L112 PolarHBondContact O-N 3.02Å
109A92.8Very high92.5Very high57 Ų57103.4 Ų103.447%0.47148%0.484SS..Hα-helixtrans-61.8-42.7175.500000112.7R105 R106 R111 L112 L113R105-A109 WeakPolarHBondContact O-CB 3.28Å; R105-A109 PolarHBondContact O-N 3.16Å; R106-A109 PolarHBondContact O-N 3.12Å; A109-R111 VanDerWaalsContact C-N 3.34Å; A109-R111 PolarHBondContact O-N 2.8Å; A109-L112 PolarHBondContact O-N 3.29Å; A109-L113 WeakPolarHBondContact O-CB 3.33Å; A109-L113 PolarHBondContact O-N 3.19Å
110L93.1Very high92.5Very high89 Ų89100.3 Ų100.347%0.46647%0.473SS..Hα-helixtrans-65.3-36.6176-72.2172.9000112.3R106 V107 E108 L113 R114 L144R106-L110 WeakPolarHBondContact O-CG 3.42Å; R106-L110 PolarHBondContact O-N 3.35Å; V107-L110 PolarHBondContact O-N 3Å; E108-L110 PolarHBondContact O-N 2.9Å; L110-L113 PolarHBondContact O-N 3.27Å; L110-R114 WeakPolarHBondContact O-CB 3.21Å; L110-R114 PolarHBondContact O-N 3.37Å; L110-L144 HydrophobicContact CD2-CD1 4.44Å; L110-L144 HydrophobicContact CD2-CD2 4.24Å; L110-L144 HydrophobicContact CD2-CG 4.35Å
111R92.9Very high92Very high160 Ų16094.5 Ų94.560%0.60446%0.457SS*.Hα-helixtrans-62.9-45.6173.5-73.4175179163.6-0.5111.3V107 E108 A109 R114 V115V107-R111 WeakPolarHBondContact O-CG 3.23Å; V107-R111 PolarHBondContact O-N 3.14Å; E108-R111 WeakPolarHBondContact O-CB 3.16Å; E108-R111 PolarHBondContact O-N 2.71Å; A109-R111 VanDerWaalsContact C-N 3.34Å; A109-R111 PolarHBondContact O-N 2.8Å; R111-R114 WeakPolarHBondContact O-CB 3.42Å; R111-R114 PolarHBondContact O-N 3.03Å; R111-V115 WeakPolarHBondContact O-CG2 3.37Å; R111-V115 PolarHBondContact O-N 3.04Å; R111-V115 VanDerWaalsContact O-N 3.09Å
112L95.4Very high91.6Very high118 Ų11895.4 Ų95.462%0.61847%0.466SS*.Hα-helixtrans-61.6-46.1176-72.3171.2000111.6E108 A109 R114 V115 L116E108-L112 WeakPolarHBondContact O-CG 3.4Å; E108-L112 PolarHBondContact O-N 3.02Å; A109-L112 PolarHBondContact O-N 3.29Å; L112-R114 VanDerWaalsContact C-N 3.28Å; L112-R114 PolarHBondContact O-N 3.1Å; L112-V115 PolarHBondContact O-N 3.15Å; L112-V115 VanDerWaalsContact O-N 3.1Å; L112-L116 WeakPolarHBondContact O-CG 3.41Å; L112-L116 PolarHBondContact O-N 3.42Å
113L93.3Very high91.1Very high79 Ų79100 Ų10041%0.41448%0.48SS..Hα-helixtrans-57.3-43.2176.6-17663.5000111.3A109 L110 V115 L116 L117 L144A109-L113 WeakPolarHBondContact O-CB 3.33Å; A109-L113 PolarHBondContact O-N 3.19Å; L110-L113 PolarHBondContact O-N 3.27Å; L113-V115 PolarHBondContact O-N 2.84Å; L113-L116 PolarHBondContact O-N 3.48Å; L113-L117 HydrophobicContact CD1-CD1 4.38Å; L113-L117 HydrophobicContact CD1-CG 4.35Å; L113-L117 HydrophobicContact CG-CD1 4.03Å; L113-L117 HydrophobicContact CG-CG 4.42Å; L113-L117 WeakPolarHBondContact O-CB 3.36Å; L113-L117 VanDerWaalsContact O-CG 3.28Å; L113-L117 WeakPolarHBondContact O-CG 3.41Å; L113-L117 PolarHBondContact O-N 3.22Å; L113-L144 HydrophobicContact CD2-CD2 4.35Å
114R92.1Very high90.3Very high102 Ų102100.7 Ų100.739%0.38548%0.475SS..Hα-helixtrans-61.1-41.9176.2-173-175.4-72.1-177.1-3.9112.2L110 R111 L112 K118 L141 L144L110-R114 WeakPolarHBondContact O-CB 3.21Å; L110-R114 PolarHBondContact O-N 3.37Å; R111-R114 WeakPolarHBondContact O-CB 3.42Å; R111-R114 PolarHBondContact O-N 3.03Å; L112-R114 VanDerWaalsContact C-N 3.28Å; L112-R114 PolarHBondContact O-N 3.1Å; R114-K118 WeakPolarHBondContact O-CB 3.32Å; R114-K118 WeakPolarHBondContact O-CG 3.41Å; R114-K118 PolarHBondContact O-N 2.93Å; R114-L141 HydrophobicContact CG-CD2 4.5Å; R114-L144 HydrophobicContact CB-CD2 4.48Å; R114-L144 PolarHBondContact NH2-O 3.34Å
115V93.9Very high89.4Confident80 Ų80104 Ų10449%0.48549%0.488SS..Hα-helixtrans-65.9-43.9177.21730000111.1R111 L112 L113 K118 K119R111-V115 WeakPolarHBondContact O-CG2 3.37Å; R111-V115 PolarHBondContact O-N 3.04Å; R111-V115 VanDerWaalsContact O-N 3.09Å; L112-V115 PolarHBondContact O-N 3.15Å; L112-V115 VanDerWaalsContact O-N 3.1Å; L113-V115 PolarHBondContact O-N 2.84Å; V115-K118 PolarHBondContact O-N 2.9Å; V115-K119 PolarHBondContact O-N 3.22Å
116L93.6Very high88.5Confident99 Ų99104.6 Ų104.652%0.51849%0.494SS..Hα-helixtrans-62.5-46.8177.4-70.6172.9000111.6L112 L113 K118 K119 I120L112-L116 WeakPolarHBondContact O-CG 3.41Å; L112-L116 PolarHBondContact O-N 3.42Å; L113-L116 PolarHBondContact O-N 3.48Å; L116-K118 VanDerWaalsContact C-N 3.31Å; L116-K118 PolarHBondContact O-N 2.92Å; L116-K119 WeakPolarHBondContact O-CB 3.28Å; L116-K119 PolarHBondContact O-N 3.31Å; L116-K119 VanDerWaalsContact O-N 3.12Å; L116-I120 WeakPolarHBondContact O-CG1 3.5Å; L116-I120 PolarHBondContact O-N 3.01Å
117L90.6Very high87.5Confident27 Ų27101.4 Ų101.414%0.14149%0.486CS..Hα-helixtrans-60.9-38.8176.6-71.8173.7000112.1L113 I120 A121L113-L117 HydrophobicContact CD1-CD1 4.38Å; L113-L117 HydrophobicContact CD1-CG 4.35Å; L113-L117 HydrophobicContact CG-CD1 4.03Å; L113-L117 HydrophobicContact CG-CG 4.42Å; L113-L117 WeakPolarHBondContact O-CB 3.36Å; L113-L117 VanDerWaalsContact O-CG 3.28Å; L113-L117 WeakPolarHBondContact O-CG 3.41Å; L113-L117 PolarHBondContact O-N 3.22Å; L117-I120 PolarHBondContact O-N 3.36Å; L117-A121 VanDerWaalsContact O-CB 3.32Å; L117-A121 WeakPolarHBondContact O-CB 3.48Å; L117-A121 PolarHBondContact O-N 3.42Å
118K90.2Very high86Confident121 Ų121107.5 Ų107.553%0.52651%0.507SS..Hα-helixtrans-63.3-43.5173-77.6180177.2-172.80112.1R114 V115 L116 A121 V122R114-K118 WeakPolarHBondContact O-CB 3.32Å; R114-K118 WeakPolarHBondContact O-CG 3.41Å; R114-K118 PolarHBondContact O-N 2.93Å; V115-K118 PolarHBondContact O-N 2.9Å; L116-K118 VanDerWaalsContact C-N 3.31Å; L116-K118 PolarHBondContact O-N 2.92Å; K118-A121 PolarHBondContact O-N 3.31Å; K118-V122 WeakPolarHBondContact O-CG2 3.45Å; K118-V122 PolarHBondContact O-N 3.01Å
119K89.7Confident84.2Confident145 Ų145110.7 Ų110.763%0.6353%0.527SS*.Hα-helixtrans-61.8-44.9176.8-76.9-175.6174.2-174.90111.6V115 L116 V122 W123V115-K119 PolarHBondContact O-N 3.22Å; L116-K119 WeakPolarHBondContact O-CB 3.28Å; L116-K119 PolarHBondContact O-N 3.31Å; L116-K119 VanDerWaalsContact O-N 3.12Å; K119-V122 PolarHBondContact O-N 3.24Å; K119-W123 WeakPolarHBondContact O-CB 3.32Å; K119-W123 PolarHBondContact O-N 3.02Å
120I86.8Confident82.6Confident82 Ų82113.3 Ų113.342%0.42153%0.532SS..Hα-helixtrans-62.3-45.1176.3-65.9165.8000110.3L116 L117 V122 W123 M124L116-I120 WeakPolarHBondContact O-CG1 3.5Å; L116-I120 PolarHBondContact O-N 3.01Å; L117-I120 PolarHBondContact O-N 3.36Å; I120-V122 VanDerWaalsContact C-N 3.32Å; I120-V122 PolarHBondContact O-N 3.45Å; I120-W123 PolarHBondContact O-N 2.96Å; I120-M124 HydrophobicContact CG2-CG 4.09Å; I120-M124 WeakPolarHBondContact O-CB 3.4Å; I120-M124 WeakPolarHBondContact O-CG 3.47Å; I120-M124 PolarHBondContact O-N 3.47Å
121A81.4Confident80.8Confident33 Ų33118.9 Ų118.927%0.27355%0.553SS.*Hα-helixtrans-61.7-37.8178.200000112.9L117 K118 R125 I137L117-A121 VanDerWaalsContact O-CB 3.32Å; L117-A121 WeakPolarHBondContact O-CB 3.48Å; L117-A121 PolarHBondContact O-N 3.42Å; K118-A121 PolarHBondContact O-N 3.31Å; A121-R125 WeakPolarHBondContact O-CB 3.32Å; A121-R125 PolarHBondContact O-N 2.91Å; A121-R125 VanDerWaalsContact O-N 3.1Å; A121-I137 HydrophobicContact CB-CG2 4.42Å
122V85.5Confident78.9Confident101 Ų101115.6 Ų115.661%0.61255%0.552SS**Hα-helixtrans-68.7-43174.7171.30000111.2K118 K119 I120 R125 K126K118-V122 WeakPolarHBondContact O-CG2 3.45Å; K118-V122 PolarHBondContact O-N 3.01Å; K119-V122 PolarHBondContact O-N 3.24Å; I120-V122 VanDerWaalsContact C-N 3.32Å; I120-V122 PolarHBondContact O-N 3.45Å; V122-R125 PolarHBondContact O-N 2.92Å; V122-K126 PolarHBondContact O-N 3.32Å; V122-K126 VanDerWaalsContact O-N 3.07Å
123W83.4Confident77Confident151 Ų151114.1 Ų114.157%0.57255%0.551SS**Hα-helixtrans-62-48.1177.4-175.576.4000111.6K119 I120 R125 K126 E127K119-W123 WeakPolarHBondContact O-CB 3.32Å; K119-W123 PolarHBondContact O-N 3.02Å; I120-W123 PolarHBondContact O-N 2.96Å; W123-R125 VanDerWaalsContact C-N 3.27Å; W123-R125 PolarHBondContact O-N 2.93Å; W123-K126 WeakPolarHBondContact O-CB 3.44Å; W123-K126 PolarHBondContact O-N 3.45Å; W123-E127 WeakPolarHBondContact CH2-OE2 3.2Å; W123-E127 WeakPolarHBondContact CZ2-OE2 3.37Å; W123-E127 PolarHBondContact O-N 2.88Å
124M75.9Confident75.3Confident64 Ų64117 Ų11732%0.31556%0.562SS.*Hα-helixtrans-61.3-31.4175.1-69.9-67.1-63.700113.2I120 L130I120-M124 HydrophobicContact CG2-CG 4.09Å; I120-M124 WeakPolarHBondContact O-CB 3.4Å; I120-M124 WeakPolarHBondContact O-CG 3.47Å; I120-M124 PolarHBondContact O-N 3.47Å; M124-L130 HydrophobicContact CE-CB 3.79Å; M124-L130 HydrophobicContact CE-CD2 3.95Å; M124-L130 HydrophobicContact CE-CG 4.41Å
125R73.8Confident73.7Confident208 Ų208117 Ų11779%0.78557%0.574SS**Hα-helixtrans-72.9-32.3174.5-172.8-175.2-67.8-154.6-1.1112A121 V122 W123A121-R125 WeakPolarHBondContact O-CB 3.32Å; A121-R125 PolarHBondContact O-N 2.91Å; A121-R125 VanDerWaalsContact O-N 3.1Å; V122-R125 PolarHBondContact O-N 2.92Å; W123-R125 VanDerWaalsContact C-N 3.27Å; W123-R125 PolarHBondContact O-N 2.93Å
126K75.9Confident72.1Confident181 Ų181118.9 Ų118.979%0.78758%0.577SS**Hα-helixtrans-74.3-34.5178.7-168.4177.7179.3-177.60111.3V122 W123 K128V122-K126 PolarHBondContact O-N 3.32Å; V122-K126 VanDerWaalsContact O-N 3.07Å; W123-K126 WeakPolarHBondContact O-CB 3.44Å; W123-K126 PolarHBondContact O-N 3.45Å; K126-K128 PolarHBondContact O-N 3.32Å
127E70.8Confident70.6Confident83 Ų83116.3 Ų116.339%0.38856%0.563SS.*SBendtrans-90.786.3178.5-156.6164.6-140.400110.2W123 N129W123-E127 WeakPolarHBondContact CH2-OE2 3.2Å; W123-E127 WeakPolarHBondContact CZ2-OE2 3.37Å; W123-E127 PolarHBondContact O-N 2.88Å; E127-N129 PolarHBondContact O-N 3.12Å
128K61.4Low69.4Low197 Ų197118 Ų11886%0.85758%0.577SS**THydrogen-bonded Turntrans-64.616.3-172.2-67.1-178178176.70116.2K126K126-K128 PolarHBondContact O-N 3.32Å
129N56.3Low68.2Low148 Ų148117.6 Ų117.679%0.79158%0.58SS**THydrogen-bonded Turntrans-115.26.2-170.3-71.5-43.6000116E127E127-N129 PolarHBondContact O-N 3.12Å
130L58.1Low67Low112 Ų112115.1 Ų115.159%0.58657%0.573SS**  trans-111.3105171.5-83.685.2000111.8M124M124-L130 HydrophobicContact CE-CB 3.79Å; M124-L130 HydrophobicContact CE-CD2 3.95Å; M124-L130 HydrophobicContact CE-CG 4.41Å
131K55.6Low66.1Low206 Ų206113.4 Ų113.490%0.89657%0.565SS**  trans-67.8152.2162.4-85.3-179.6177175.90110
132P53.7Low65.3Low90 Ų90117.6 Ų117.658%0.58458%0.583SS**  -103141.3-119.734-34000116.5Q134P132-Q134 HydrophobicContact CB-CB 3.78Å
133C55.1Low64.1Low88 Ų88116.6 Ų116.660%0.59558%0.579SS**  trans-104.230.8145.3-60.70000111T135 H136C133-T135 PolarHBondContact O-N 2.98Å; C133-T135 VanDerWaalsContact O-N 3.15Å; C133-H136 PolarHBondContact O-N 3.34Å
134Q57.2Low63Low138 Ų138111.3 Ų111.365%0.64556%0.562SS**Hα-helixtrans-59-25.9-176.6-166.7172.36.300112.7P132 S138P132-Q134 HydrophobicContact CB-CB 3.78Å; Q134-S138 PolarHBondContact O-N 2.89Å; Q134-S138 PolarHBondContact O-OG 3.07Å
135T57.9Low61.8Low104 Ų104111 Ų11164%0.63857%0.574SS**Hα-helixtrans-65.4-40.3173.236.50000113C133 L139C133-T135 PolarHBondContact O-N 2.98Å; C133-T135 VanDerWaalsContact O-N 3.15Å; T135-L139 WeakPolarHBondContact O-CB 3.33Å; T135-L139 PolarHBondContact O-N 3.25Å
136H60.9Low60.8Low119 Ų119105.8 Ų105.855%0.55157%0.57SS**Hα-helixtrans-71.5-38.4-177.7-68.6-79.8000112.6C133 L140C133-H136 PolarHBondContact O-N 3.34Å; H136-L140 WeakPolarHBondContact O-CB 3.46Å; H136-L140 WeakPolarHBondContact O-CG 3.43Å; H136-L140 PolarHBondContact O-N 3.28Å
137I63.1Low59.2Low44 Ų44102.8 Ų102.823%0.22657%0.567CS.*Hα-helixtrans-72.8-41.4179.9-62.6173.8000110.9A121 L140 L141A121-I137 HydrophobicContact CB-CG2 4.42Å; I137-L140 PolarHBondContact O-N 3.37Å; I137-L141 HydrophobicContact CG2-CD1 3.8Å; I137-L141 WeakPolarHBondContact O-CB 3.21Å; I137-L141 WeakPolarHBondContact O-CD1 3.49Å; I137-L141 PolarHBondContact O-N 3.04Å
138S64.7Low57.8Low63 Ų63106.7 Ų106.744%0.44159%0.585SS.*Hα-helixtrans-65.2-38.9174-72.70000112.5Q134 L141 N142Q134-S138 PolarHBondContact O-N 2.89Å; Q134-S138 PolarHBondContact O-OG 3.07Å; S138-L141 PolarHBondContact O-N 3.46Å; S138-N142 WeakPolarHBondContact O-CB 3.4Å; S138-N142 PolarHBondContact O-N 2.99Å
139L65.5Low56.4Low112 Ų112103 Ų10359%0.58658%0.583SS**Hα-helixtrans-63.8-45.7175-161.983.4000111T135 L141 N142 C143T135-L139 WeakPolarHBondContact O-CB 3.33Å; T135-L139 PolarHBondContact O-N 3.25Å; L139-L141 PolarHBondContact O-N 2.96Å; L139-N142 PolarHBondContact O-N 3.41Å; L139-C143 WeakPolarHBondContact O-CB 3.27Å; L139-C143 PolarHBondContact O-N 2.97Å; L139-C143 PolarHBondContact O-SG 2.91Å
140L64.9Low55.2Low93 Ų93102.1 Ų102.149%0.48758%0.578SS.*Hα-helixtrans-63-39.6177.2-74.7169.5000112.8H136 I137 L144H136-L140 WeakPolarHBondContact O-CB 3.46Å; H136-L140 WeakPolarHBondContact O-CG 3.43Å; H136-L140 PolarHBondContact O-N 3.28Å; I137-L140 PolarHBondContact O-N 3.37Å; L140-L144 PolarHBondContact O-N 2.93Å; L140-L144 VanDerWaalsContact O-N 3.08Å
141L66.1Low54.2Low47 Ų47102.2 Ų102.225%0.24659%0.585CS.*Hα-helixtrans-67.3-37.7175.8-84.7153.5000112.4R114 I137 S138 L139 G145R114-L141 HydrophobicContact CG-CD2 4.5Å; I137-L141 HydrophobicContact CG2-CD1 3.8Å; I137-L141 WeakPolarHBondContact O-CB 3.21Å; I137-L141 WeakPolarHBondContact O-CD1 3.49Å; I137-L141 PolarHBondContact O-N 3.04Å; S138-L141 PolarHBondContact O-N 3.46Å; L139-L141 PolarHBondContact O-N 2.96Å; L141-G145 PolarHBondContact O-N 3.23Å
142N66.5Low52.9Low121 Ų121101.4 Ų101.465%0.64759%0.585SS**Hα-helixtrans-70.6-41175.9-76.9-13.7000112.2S138 L139 L144 G145 S146S138-N142 WeakPolarHBondContact O-CB 3.4Å; S138-N142 PolarHBondContact O-N 2.99Å; L139-N142 PolarHBondContact O-N 3.41Å; N142-L144 VanDerWaalsContact C-N 3.34Å; N142-L144 PolarHBondContact O-N 3.38Å; N142-G145 PolarHBondContact O-N 3.49Å; N142-G145 VanDerWaalsContact O-N 3.1Å; N142-S146 PolarHBondContact O-N 2.89Å
143C59.4Low51.9Low80 Ų80105.7 Ų105.754%0.54160%0.597SS.*Hα-helixtrans-63.8-37.4175.3-67.40000112.3L139 G145 S146L139-C143 WeakPolarHBondContact O-CB 3.27Å; L139-C143 PolarHBondContact O-N 2.97Å; L139-C143 PolarHBondContact O-SG 2.91Å; C143-G145 VanDerWaalsContact C-N 3.26Å; C143-G145 PolarHBondContact O-N 3.38Å; C143-S146 PolarHBondContact O-N 3.44Å
144L59.5Low50.8Low40 Ų40108.4 Ų108.421%0.20961%0.611CS.*THydrogen-bonded Turntrans-73.7-14174-11074.3000113.9L110 L113 R114 L140 N142L110-L144 HydrophobicContact CD2-CD1 4.44Å; L110-L144 HydrophobicContact CD2-CD2 4.24Å; L110-L144 HydrophobicContact CD2-CG 4.35Å; L113-L144 HydrophobicContact CD2-CD2 4.35Å; R114-L144 HydrophobicContact CB-CD2 4.48Å; R114-L144 PolarHBondContact NH2-O 3.34Å; L140-L144 PolarHBondContact O-N 2.93Å; L140-L144 VanDerWaalsContact O-N 3.08Å; N142-L144 VanDerWaalsContact C-N 3.34Å; N142-L144 PolarHBondContact O-N 3.38Å
145G52.3Low49.4Very low56 Ų56105 Ų10558%0.57761%0.613SS**THydrogen-bonded Turntrans-90.7-13.7176.400000113.9L141 N142 C143L141-G145 PolarHBondContact O-N 3.23Å; N142-G145 PolarHBondContact O-N 3.49Å; N142-G145 VanDerWaalsContact O-N 3.1Å; C143-G145 VanDerWaalsContact C-N 3.26Å; C143-G145 PolarHBondContact O-N 3.38Å
146S51.9Low48.1Very low99 Ų99106.9 Ų106.969%0.69262%0.624SS**  trans-112.142.2-170.1-154.10000113.4N142 C143 Q148N142-S146 PolarHBondContact O-N 2.89Å; C143-S146 PolarHBondContact O-N 3.44Å; S146-Q148 VanDerWaalsContact C-N 3.33Å; S146-Q148 PolarHBondContact O-N 3.4Å
147T42.5Very low46.7Very low118 Ų118109.4 Ų109.472%0.72464%0.638SS**  trans-96.366.3160.755.50000109.1
148Q42Very low44.9Very low166 Ų166116 Ų11678%0.77667%0.665SS**  trans-9088.2155.2-169.5174.330.800105.9S146 N150S146-Q148 VanDerWaalsContact C-N 3.33Å; S146-Q148 PolarHBondContact O-N 3.4Å; Q148-N150 PolarHBondContact O-N 3.15Å
149C30.3Very low43.3Very low119 Ų119117.3 Ų117.380%0.80467%0.674SS**  trans-68.997.9167.9-70.80000107.8
150N32.2Very low41.5Very low129 Ų129120.6 Ų120.669%0.6969%0.686SS**  trans-88.3125160.4-103.3-21000108.4Q148 Q152Q148-N150 PolarHBondContact O-N 3.15Å; N150-Q152 PolarHBondContact O-N 3.04Å
151P36.3Very low39.9Very low114 Ų114119.9 Ų119.974%0.7469%0.694SS**  trans-73.9116.5163.830.3-27.7000107.5E153P151-E153 PolarHBondContact O-N 3.39Å; P151-E153 VanDerWaalsContact O-N 3.16Å
152Q29.6Very low38.1Very low189 Ų189125.1 Ų125.188%0.88372%0.717SS**  trans-78.9100177.9-168.6145.5400109.2N150N150-Q152 PolarHBondContact O-N 3.04Å
153E31.2Very low36.4Very low180 Ų180127.7 Ų127.784%0.84173%0.725SS**PPolyproline II helixtrans-71.6134.1166-75.5-174.7164.700110.3P151P151-E153 PolarHBondContact O-N 3.39Å; P151-E153 VanDerWaalsContact O-N 3.16Å
154V32Very low35.2Very low146 Ų146130.1 Ų130.189%0.88574%0.737SS**PPolyproline II helixtrans-72.1125.8176.8171.20000108.8
155G28.9Very low34.6Very low66 Ų66134 Ų13468%0.6877%0.765SS**PPolyproline II helixtrans-80.4166.3-169.100000116.9
156V31.2Very low33.3Very low144 Ų144135.1 Ų135.187%0.87378%0.776SS**  trans-141.9113.3158.6177.50000109.1
157M31.7Very low32.1Very low171 Ų171137.6 Ų137.684%0.84279%0.787SS**  trans17.2125.5146.6-81.3-96.7167.300119.9
158K25.3Very low31.3Very low183 Ų183136 Ų13680%0.79679%0.786SS**  157133.388-160.3159-178.7-177.10114.1
159S30.9Very low30.7Very low90 Ų90135.6 Ų135.663%0.62979%0.788SS**  trans60115.2152.1-62.50000120.6
160E27.9Very low30.6Very low181 Ų181139.1 Ų139.185%0.84679%0.79SS**  8913565.9-167.7174.1-149.900113.4
161A29.7Very low30.3Very low78 Ų78138.1 Ų138.165%0.64579%0.793SS**  trans104.497.7163.500000120.4
162H29.8Very low30.5Very low157 Ų157137.9 Ų137.973%0.72779%0.792SS**  79.7126.3120.2-65.1-61.7000124.7
163H30.8Very low30.4Very low176 Ų176137.6 Ų137.682%0.81579%0.79SS**  trans87126.3148.7-60.9-55.7000121.8
164T32.8Very low30.7Very low131 Ų131138.4 Ų138.480%0.80479%0.794SS**  trans-84.8-168.6171.344.50000111.5
165P46.6Very low30.7Very low122 Ų122139.5 Ų139.579%0.79279%0.79SS**  -126.4157.4-68.336.8-20.6000111.4
166G26.3Very low31.1Very low79 Ų79145.4 Ų145.481%0.81480%0.799SS**  trans-154.7110.3-17900000114.6
167T26.6Very low31.1Very low150 Ų150145.9 Ų145.992%0.9280%0.796SS**  trans-67.2136.7-178.7-41.50000114
168A25.4Very low30.9Very low86 Ų86144 Ų14471%0.71179%0.79SS**  trans-178.5113.9139.200000113.4
169L28.4Very low31.4Very low156 Ų156140.4 Ų140.482%0.81778%0.783SS**  52.3106.6129.7-92.8142.6000120.7
170K28.5Very low31.5Very low193 Ų193147.5 Ų147.584%0.83980%0.796SS**  144.4115.7116.8-79.6179.6-178.5-176.80113
171S27.6Very low31.5Very low109 Ų109148.3 Ų148.376%0.76280%0.8SS**  trans-82.5161.1134.854.90000107.6
172P38.7Very low31.7Very low109 Ų109152.5 Ų152.571%0.70881%0.81SS**  cis-135.6172.728.734.3-12.7000113.9
173E28.2Very low31.9Very low182 Ų182153.1 Ų153.185%0.8582%0.818SS**  164.4124.1125.3-89.8168.7-17800110.3
174E37.5Very low31.8Very low198 Ų198152 Ų15293%0.92582%0.818SS**  trans-67.3124.3163-60.9178.8155.600107.1
175E32.7Very low31.5Very low168 Ų168157.8 Ų157.879%0.78583%0.825SS**  trans-136.8103163.1-152.5174-170.200109.2L177E175-L177 PolarHBondContact O-N 3.46Å
176E35.8Very low30.8Very low190 Ų190160.5 Ų160.589%0.88883%0.827SS**  trans-55.9109.5163.3-67.2177.6137.800109.2
177L31.5Very low31.1Very low154 Ų154165.9 Ų165.981%0.80683%0.831SS**  trans-124.2100.8158.1-73.9178.1000110.9E175E175-L177 PolarHBondContact O-N 3.46Å
178N28.4Very low31.3Very low133 Ų133166.4 Ų166.471%0.71183%0.825SS**  trans-56.6149.9170.3-166.910.5000112.9
179T34.6Very low31.8Very low106 Ų106168.2 Ų168.265%0.6583%0.83SS**  trans52.7106.715045.10000118.8
180R33.5Very low32.1Very low239 Ų239164.8 Ų164.890%0.90282%0.819SS**  trans165.899.9131-91159.2-176.9-157.92.4109.9
181H28.1Very low32.8Very low199 Ų199166 Ų16692%0.92182%0.819SS**  trans-173.271.6142-111.5-73.7000109.3
182L34.9Very low33.4Very low165 Ų165170.2 Ų170.286%0.86483%0.827SS**  trans-139.1103.3162.2-157.8110.4000105.1
183L33.1Very low33.2Very low171 Ų171169.7 Ų169.790%0.89583%0.832SS**  trans153.487.7163.8-86.1160.8000107.4
184D27.7Very low33.5Very low151 Ų151166.7 Ų166.781%0.80783%0.831SS**  trans-156.383.1146.6-155.69.8000108.1
185W26.9Very low33.5Very low253 Ų253164 Ų16496%0.95883%0.828SS**  trans-139.877169.9-94.898.8000106.5
186E32.5Very low33.8Very low180 Ų180163.5 Ų163.584%0.84183%0.83SS**  trans-167.296.4159.1-118.1172.5-174.200109.9
187E31.5Very low33.9Very low192 Ų192162.1 Ų162.190%0.89783%0.829SS**  177.9126.7118.3-109.2-173143.400111.2
188M32.2Very low34.4Very low161 Ų161163.1 Ų163.179%0.79383%0.834SS**  trans-88.2130.8174.5-177-171.975.600109.1
189P36.2Very low35Very low124 Ų124161.6 Ų161.681%0.80583%0.834SS**  trans-90.4113.7157.4-0.619.2000109.5
190S34Very low35.4Very low83 Ų83165.8 Ų165.858%0.5885%0.846SS**  trans-48.7142.616652.60000114.2
191Y43.8Very low35.6Very low218 Ų218164.2 Ų164.286%0.85585%0.846SS**SBendtrans30.599.7142.5-68-87.7000118.2
192Q38.8Very low36.1Very low198 Ų198159.2 Ų159.293%0.92584%0.839SS**  trans164.3105.7133.6-94.1172.444.700108.9
193A35.5Very low36.3Very low98 Ų98160.3 Ų160.381%0.8184%0.84SS**SBendtrans159.279.7151.800000110.2
194S34.5Very low36.7Very low120 Ų120161.7 Ų161.784%0.83984%0.839SS**  trans-177.350.9153.737.60000111
195T38.1Very low37Very low140 Ų140166.1 Ų166.186%0.85984%0.844SS**  trans-125.152.9162.849.80000109.4
196L37.8Very low37.3Very low158 Ų158159.6 Ų159.683%0.82784%0.836SS**SBendtrans-149.566.5169.7-88.9174.5000108.6
197D37.6Very low37.3Very low162 Ų162162.2 Ų162.287%0.86684%0.84SS**SBendtrans-160.915.9159.7-118.4-9.2000116.1
198L42.3Very low37.2Very low174 Ų174162.5 Ų162.591%0.91184%0.841SS**SBendtrans-125.18.9-177.3-93.2134.2000115.7
199S42.4Very low37.3Very low101 Ų101159.2 Ų159.271%0.70684%0.84SS**SBendtrans-94.4-3.5177.966.50000115.8
200Q41.3Very low37.1Very low194 Ų194158.4 Ų158.491%0.90784%0.837SS**SBendtrans-98.57.9-176.9-81.6-169.78.600116.7
201K39Very low37.4Very low207 Ų207163.8 Ų163.890%0.985%0.85SS**SBendtrans-122.219.2-177.1-137.8172.3-174.1171.90116.1
202A37.4Very low37Very low94 Ų94159.1 Ų159.178%0.77785%0.849SS**SBendtrans-119.48.1177.900000115
203E40.5Very low37.2Very low188 Ų188156.9 Ų156.988%0.87984%0.843SS**SBendtrans-117.230.7-174.4-111.7-177.4-175.500115.1
204K41.9Very low37.1Very low200 Ų200160.3 Ų160.387%0.8785%0.848SS**SBendtrans-135.476.1166.9-87.6-177.5177.4172.90110.2
205R32.5Very low37.4Very low243 Ų243164 Ų16492%0.91785%0.849SS**  trans-179.750.8153.6-102.4169.8-162.4-167.96.8113.2
206C33.8Very low37.3Very low116 Ų116165.9 Ų165.978%0.78485%0.848SS**  trans-136.168.3163.8-80.70000110.8
207Y33.2Very low37.4Very low236 Ų236167.9 Ų167.993%0.92585%0.85SS**  trans-157.386.1150.2-80.6-68000108.8
208Q29.4Very low37.7Very low197 Ų197168.5 Ų168.592%0.92185%0.848SS**  trans-169.390.6139.7-119.8167.2100109.9
209A32.8Very low37.6Very low93 Ų93170.1 Ų170.177%0.76985%0.847SS**  trans-75.4130.1148.400000107.6
210S32.9Very low37.2Very low106 Ų106169 Ų16974%0.74185%0.852SS**  trans-174.3114.5134.4-85.40000113
211K39.5Very low37.4Very low197 Ų197170 Ų17086%0.85785%0.854SS**  trans67.4112136-54.7-177.2-176.5-176.80118.7
212S36.4Very low37.6Very low120 Ų120170 Ų17084%0.83985%0.853SS**  -153.3136122.451.80000111
213D42.3Very low37.7Very low151 Ų151175.5 Ų175.581%0.80786%0.86SS**  trans-54.3143-178.7-71.7-62.3000113.7
214N34.4Very low37.5Very low169 Ų169173.3 Ų173.390%0.90486%0.859SS**  trans-141.5116.7150.5-111-34.1000112.2Q216N214-Q216 PolarHBondContact O-N 2.9Å
215K40.3Very low37.3Very low199 Ų199173.5 Ų173.587%0.86586%0.86SS**  trans-68.3119.3178-69.4-178.7175.4179.20110.1K217K215-K217 PolarHBondContact O-N 2.98Å
216Q35.4Very low37.5Very low178 Ų178166.4 Ų166.483%0.83285%0.854SS**  trans-69.3117168.7-172.9173.7-1.700109.9N214N214-Q216 PolarHBondContact O-N 2.9Å
217K40.3Very low37.4Very low200 Ų200169.3 Ų169.387%0.8786%0.856SS**  trans-112.3107.6164.2-94.8-176.3176.6175.60109.3K215K215-K217 PolarHBondContact O-N 2.98Å
218Q43.5Very low37.6Very low176 Ų176164.4 Ų164.482%0.82285%0.845SS**  trans-62.4131.2159.4-73.6179.2-19.200109.3
219K39.5Very low37.8Very low207 Ų207163.4 Ų163.490%0.984%0.84SS**  trans-139.4122.1154.3-92.9-166.3175.3-1770110.4
220G34.7Very low37.9Very low79 Ų79168 Ų16881%0.81484%0.843SS**  trans-69.2154.3-17200000114.8
221K44.8Very low37.8Very low215 Ų215168.6 Ų168.694%0.93585%0.847SS**  trans-74.6120.9166.9-66.6176.3176.3176.80108.5
222K43.4Very low37.6Very low205 Ų205163.8 Ų163.889%0.89184%0.838SS**  trans-115.3122.4160.7-83.6-172.8175.8-177.80109.2
223K41.1Very low37.3Very low210 Ų210166.7 Ų166.791%0.91384%0.838SS**  trans-66.3140.1164.8-73.6171.4170.5175.20108.7
224T34.7Very low37Very low142 Ų142165.4 Ų165.487%0.87184%0.836SS**  trans-142.6131.6155.3-29.80000110.1
225K39.3Very low37.4Very low205 Ų205163.9 Ų163.989%0.89184%0.835SS**  trans-112129.2-176.4178.4-170.9-176.1-174.30106.7
226A34.8Very low36.8Very low94 Ų94158.1 Ų158.178%0.77783%0.832SS**  trans-168.6110159.400000106.6
227Q33.6Very low36.8Very low176 Ų176155.9 Ų155.982%0.82283%0.83SS**  65.9117.178-118.9-166.6-1400115.8
228L36.7Very low36.6Very low133 Ų133156.4 Ų156.470%0.69683%0.832SS**  trans74.2114143.1-79.4165.8000120.7
229Q32.3Very low36.1Very low176 Ų176157.1 Ų157.182%0.82284%0.836SS**  170.1154.599.4-85.8-112.411.400113.7
230K35.7Very low35.6Very low191 Ų191156 Ų15683%0.8384%0.836SS**  trans-92.2157.4-173.1-61.5167.5173.7177.50111.6
231S30.3Very low35.5Very low117 Ų117163.9 Ų163.982%0.81884%0.841SS**  trans153.4143.1146.552.60000107.9
232S36Very low34.6Very low96 Ų96163.2 Ų163.267%0.67184%0.841SS**  cis135.1119.4-3.865.80000107.8
233H30.9Very low34.1Very low181 Ų181159.1 Ų159.184%0.83884%0.838SS**  trans82.6124.4157-60-65.7000122.7
234T36Very low33.7Very low125 Ų125153.9 Ų153.977%0.76783%0.834SS**  trans-45.9167.1157.843.80000115.1
235P42Very low33.5Very low136 Ų136158 Ų15888%0.88383%0.833SS**  -158.7-176.957.940.1-15.9000118.2
236G27.7Very low33.5Very low78 Ų78157.5 Ų157.580%0.80483%0.831SS**  trans144.282.5149.400000118.4
237V34.8Very low33.3Very low131 Ų131160.5 Ų160.579%0.79483%0.829SS**  trans-72.3136.2165.7171.40000110.7
238K37.6Very low33.3Very low211 Ų211160.2 Ų160.292%0.91783%0.828SS**  trans-151.5126.4144.2-69.6-162.5179.6172.50112.5
239Q32.3Very low33Very low192 Ų192159.9 Ų159.990%0.89783%0.832SS**  trans-74.5147.4171.2-73.8170.2-16.500111.6
240M29.8Very low32.8Very low182 Ų182155.2 Ų155.290%0.89783%0.83SS**  trans-107.1130.7168.7-93-91.3179.900109.9
241R31.3Very low32.8Very low245 Ų245155.5 Ų155.593%0.92583%0.832SS**PPolyproline II helixtrans-69.1139.5176.2-65.1173.8175.7-175.4-3.3110.5
242H27.1Very low32.9Very low201 Ų201155.6 Ų155.693%0.93183%0.827SS**PPolyproline II helixtrans-86.1123.1166.5-73.8-70.6000110.2
243S32.5Very low32.7Very low120 Ų120159.7 Ų159.784%0.83984%0.84SS**PPolyproline II helixtrans-97.3138.9170.8-177.90000110.1
244A31.6Very low32.8Very low99 Ų99156.4 Ų156.482%0.81884%0.838SS**PPolyproline II helixtrans-73.3148.6173.500000112.3
245R30.7Very low32.4Very low229 Ų229158.5 Ų158.586%0.86485%0.845SS**  trans-151.6129.4153.8-164174.4177-165.9-4110.8
246K39.1Very low31.7Very low194 Ų194154.9 Ų154.984%0.84383%0.832SS**  trans-76.5157.7175.8-65.4175.1168.5-175.50112.4
247E30.7Very low31.7Very low157 Ų157156.2 Ų156.273%0.73483%0.828SS**  trans169.6108.4132.1-100.8175.5130.500108.1
248E33.3Very low31.6Very low171 Ų171157.9 Ų157.980%0.79983%0.832SS**  61.8105.888.6-79.6-163.4125.200114.3
249T31.7Very low31.3Very low126 Ų126157.3 Ų157.377%0.77383%0.826SS**  97.2114.385.2-54.30000111.6
250G27.4Very low31.4Very low77 Ų77153.6 Ų153.679%0.79482%0.821SS**  trans-160.7125.6169.600000110.7
251K36.8Very low31.6Very low197 Ų197152.6 Ų152.686%0.85782%0.818SS**  trans-82.3147.1-161.3-67.4175.7175.1-176.70115.6
252V30.7Very low31.6Very low120 Ų120146.8 Ų146.873%0.72781%0.81SS**  trans20.2123.7134.8-171.60000119.4
253L32.3Very low31.9Very low181 Ų181142.4 Ų142.495%0.94880%0.802SS**  trans-138.4128.6137.2-79.8175.3000109.3
254S33.1Very low31.8Very low113 Ų113143.7 Ų143.779%0.7980%0.799SS**  trans-76.3144.2173.7-55.80000111.1
255D27.5Very low32.1Very low169 Ų169147.7 Ų147.790%0.90480%0.801SS**  trans-148.8131.8151-165.213.6000109.3
256G27.7Very low32.3Very low60 Ų60144.7 Ų144.762%0.61980%0.802SS**  trans-87.5154-164.300000113.6
257C28.3Very low31.8Very low106 Ų106140.5 Ų140.572%0.71680%0.797SS**  trans-163.899.2146.3-96.50000108.2Y259C257-Y259 HydrophobicContact CB-CD2 4.44Å; C257-Y259 HydrophobicContact CB-CE2 4.16Å
258D32.3Very low32Very low165 Ų165141.4 Ų141.488%0.88281%0.806SS**  trans-67.9122.8161.3-82.7-41.8000109.3
259Y31.1Very low31.8Very low199 Ų199141.3 Ų141.378%0.7881%0.806SS**  trans-122.6103.1155.3-73.7-77.4000108C257 L261C257-Y259 HydrophobicContact CB-CD2 4.44Å; C257-Y259 HydrophobicContact CB-CE2 4.16Å; Y259-L261 PolarHBondContact O-N 2.96Å
260S35.2Very low31.6Very low114 Ų114141.3 Ų141.380%0.79781%0.811SS**  trans-63.5108.3166.9610000109.4
261L34Very low31.7Very low162 Ų162143.1 Ų143.185%0.84881%0.807SS**  trans-97.5102.9160.5-97.6147.4000107.5Y259 S263Y259-L261 PolarHBondContact O-N 2.96Å; L261-S263 PolarHBondContact O-N 3.39Å; L261-S263 VanDerWaalsContact O-N 3.13Å
262V30Very low31.2Very low122 Ų122143 Ų14374%0.73981%0.811SS**  trans-50.7114163.2175.20000107.3D264V262-D264 PolarHBondContact O-N 3.26Å
263S34Very low31.4Very low110 Ų110144.3 Ų144.377%0.76981%0.813SS**  trans-80.3108.8175-1700000107.8L261 Q265L261-S263 PolarHBondContact O-N 3.39Å; L261-S263 VanDerWaalsContact O-N 3.13Å; S263-Q265 PolarHBondContact O-N 3.4Å
264D30.7Very low31.2Very low146 Ų146140.1 Ų140.178%0.78180%0.804SS**  trans-59.1121.4168.6-94.3-22.6000109.6V262 N266V262-D264 PolarHBondContact O-N 3.26Å; D264-N266 PolarHBondContact O-N 2.88Å
265Q38.1Very low31.1Very low184 Ų184142 Ų14286%0.8681%0.806SS**SBendtrans-66.292.1168.8-70.5169.4-9.200108.4S263S263-Q265 PolarHBondContact O-N 3.4Å
266N34.3Very low31.5Very low166 Ų166143.3 Ų143.389%0.88881%0.806SS**  trans-17436.3156.7-89.2-22.8000113D264D264-N266 PolarHBondContact O-N 2.88Å
267S29.9Very low31.6Very low105 Ų105146.4 Ų146.473%0.73482%0.819SS**  trans-90.8112.2170.7-167.80000109.6Q269S267-Q269 PolarHBondContact O-N 3.38Å
268L34Very low31.7Very low177 Ų177149.6 Ų149.693%0.92783%0.828SS**  trans-58.996.8169.4-86.1160.1000109.4S270L268-S270 PolarHBondContact O-N 3.31Å
269Q29.3Very low31.5Very low169 Ų169145.6 Ų145.679%0.7982%0.817SS**  trans-72.3108.2170.6-69.5-169.5-9.400109S267 T271S267-Q269 PolarHBondContact O-N 3.38Å; Q269-T271 PolarHBondContact O-N 3Å
270S27.6Very low31.7Very low125 Ų125145 Ų14587%0.87482%0.819SS**  trans-89.692.8166.4-156.90000108.1L268L268-S270 PolarHBondContact O-N 3.31Å
271T28.4Very low31.4Very low116 Ų116147.2 Ų147.271%0.71282%0.817SS**  trans-83.5111.6177.16.50000109.5Q269Q269-T271 PolarHBondContact O-N 3Å
272M27.2Very low31.2Very low193 Ų193145.1 Ų145.195%0.95181%0.806SS**  trans-84.7108.3170.1-122.1-168.3174.800108.5
273I33.8Very low31.2Very low148 Ų148147 Ų14776%0.75981%0.807SS**PPolyproline II helixtrans-88.9118168.6-57.8176.1000106.5
274A30Very low31.1Very low93 Ų93146.7 Ų146.777%0.76981%0.81SS**PPolyproline II helixtrans-95.3123.3171.400000108.6Q276A274-Q276 PolarHBondContact O-N 3.48Å
275D30.5Very low30.9Very low153 Ų153145.4 Ų145.482%0.81881%0.813SS**PPolyproline II helixtrans-64.9130.8-176.9-68.1-37.6000111.9
276Q35.3Very low30.7Very low197 Ų197141.4 Ų141.492%0.92181%0.805SS**PPolyproline II helixtrans-73.9131.6168.1-67.1176.119.200109A274A274-Q276 PolarHBondContact O-N 3.48Å
277S30.4Very low30.4Very low125 Ų125141.6 Ų141.687%0.87481%0.806SS**  trans-126.6141.4159.158.70000110.5
278L29.1Very low30.4Very low173 Ų173145.4 Ų145.491%0.90681%0.812SS**  trans-107.5149.3-158179.890.6000109.7
279A29.3Very low30.2Very low81 Ų81141.2 Ų141.267%0.66980%0.798SS**  trans113.3110.1146.900000120.2
280K33.8Very low30.2Very low187 Ų187142 Ų14281%0.81380%0.801SS**  trans79.2116.6142-56.4-164.3-178.4-1600119.9
281E29.7Very low30.1Very low160 Ų160141.5 Ų141.575%0.74880%0.798SS**  59.7125.982.2-81.8172.1164.500111.9
282D29.7Very low30.1Very low117 Ų117140.5 Ų140.563%0.62680%0.796SS**  cis-166.6160.225.3-102.3-34.8000113.6
283H29.4Very low30.6Very low163 Ų163143.1 Ų143.176%0.75580%0.795SS**  trans59.1110151.7-55.9-40.1000125.6
284A32.9Very low30.3Very low102 Ų102144.6 Ų144.684%0.84380%0.799SS**  56109.6124.100000122.2
285S27.1Very low30.3Very low120 Ų120144 Ų14484%0.83979%0.793SS**  trans157.8127.4150.1173.40000105.4
286S32.1Very low30.2Very low100 Ų100142.8 Ų142.870%0.69979%0.791SS**  cis-161.9143.932.341.50000108.3E288S286-E288 PolarHBondContact O-N 3.25Å
287N28.6Very low30.2Very low169 Ų169138.5 Ų138.590%0.90477%0.774SS**  trans-66.3117166.1-79.4-50.6000109.9
288E30.6Very low30.3Very low185 Ų185139.7 Ų139.786%0.86477%0.77SS**  trans-126.999159.7-159.5169.3-166.900108S286S286-E288 PolarHBondContact O-N 3.25Å
289S29.8Very low30.6Very low90 Ų90142 Ų14263%0.62977%0.767SS**  trans-111.8123.7164.2-70.70000106.9
290H29.1Very low31Very low184 Ų184141.5 Ų141.585%0.85277%0.77SS**  174.8127.7107.8-80.1-52.7000110.3
291S25.7Very low31.9Very low116 Ų116144 Ų14481%0.81178%0.775SS**  143.3147.2113-165.90000113.7
292S28.2Very low33.5Very low94 Ų94145.9 Ų145.966%0.65778%0.78SS**  trans7889151.1-177.40000118.5Q294S292-Q294 PolarHBondContact O-N 3.03Å
293R36.9Very low34.8Very low248 Ų248146.9 Ų146.994%0.93678%0.781SS**  2984.6118.4-162.8-175.7-163.8-1605.5114.8
294Q28.5Very low37Very low179 Ų179143.9 Ų143.984%0.83677%0.766SS**  trans-126.7120.8156-149.515521.900108S292 V296S292-Q294 PolarHBondContact O-N 3.03Å; Q294-V296 PolarHBondContact O-N 3.48Å
295A29.5Very low38.6Very low80 Ų80143.7 Ų143.766%0.66175%0.75SS**  trans-48119.2171.200000107.7I297A295-I297 HydrophobicContact CB-CG1 4.37Å; A295-I297 PolarHBondContact O-N 3.36Å
296V29.5Very low40.4Very low128 Ų128143.9 Ų143.978%0.77673%0.733SS**  trans-66.278.3166.6179.10000105.6Q294 N298Q294-V296 PolarHBondContact O-N 3.48Å; V296-N298 PolarHBondContact O-N 3.02Å; V296-N298 VanDerWaalsContact O-N 3.14Å
297I35.1Very low42.4Very low108 Ų108144 Ų14455%0.55472%0.722SS**  trans-61.6113.4160.5-59.6177.8000102.8A295 R299A295-I297 HydrophobicContact CB-CG1 4.37Å; A295-I297 PolarHBondContact O-N 3.36Å; I297-R299 HydrophobicContact CB-CG 4.19Å; I297-R299 HydrophobicContact CG2-CG 3.57Å; I297-R299 PolarHBondContact O-N 2.9Å
298N31.7Very low44.5Very low149 Ų149137.5 Ų137.580%0.79769%0.689SS**  trans-55.778.4168.5-70.9-53.2000109.5V296 G300V296-N298 PolarHBondContact O-N 3.02Å; V296-N298 VanDerWaalsContact O-N 3.14Å; N298-G300 VanDerWaalsContact C-N 3.33Å
299R34.6Very low46.4Very low221 Ų221134.8 Ų134.883%0.83468%0.68SS**  trans-100.226.9169.3-64-165.5178.2-122.43.1110.8I297I297-R299 HydrophobicContact CB-CG 4.19Å; I297-R299 HydrophobicContact CG2-CG 3.57Å; I297-R299 PolarHBondContact O-N 2.9Å
300G39.4Very low48.3Very low72 Ų72136.7 Ų136.774%0.74268%0.679SS**SBendtrans-111.7-20.1-176.400000114.9N298N298-G300 VanDerWaalsContact C-N 3.33Å
301R52.8Low50.3Low239 Ų239130.6 Ų130.690%0.90265%0.65SS**SBendtrans-108.9101.8175.5-66.8-171.5-174.8-1510.2108Q303R301-Q303 PolarHBondContact O-N 3.43Å
302K62.1Low52.6Low200 Ų200128.7 Ų128.787%0.8763%0.63SS**PPolyproline II helixtrans-51.1126.7165.2-68.6179.4178-179.10106.7K304K302-K304 PolarHBondContact O-N 3.32Å; K302-K304 VanDerWaalsContact O-N 3.15Å
303Q57.6Low54.7Low137 Ų137128.5 Ų128.564%0.6462%0.622SS**PPolyproline II helixtrans-54.9124.3174.1-171.7163.5-5.600106.9R301 I305 E307 T308R301-Q303 PolarHBondContact O-N 3.43Å; Q303-I305 PolarHBondContact O-N 3.09Å; Q303-E307 PolarHBondContact NE2-O 2.98Å; Q303-T308 HydrophobicContact CG-CG2 4.25Å
304K75.3Confident56.3Low101 Ų101120.2 Ų120.244%0.43959%0.591SS.*PPolyproline II helixtrans-63.6132.2179.9-74.8148.1157.9-148.70106.8K302 Y306 E307K302-K304 PolarHBondContact O-N 3.32Å; K302-K304 VanDerWaalsContact O-N 3.15Å; K304-Y306 HydrophobicContact CB-CD1 3.97Å; K304-Y306 HydrophobicContact CB-CD2 3.98Å; K304-Y306 HydrophobicContact CB-CE1 3.61Å; K304-Y306 HydrophobicContact CB-CE2 3.58Å; K304-Y306 HydrophobicContact CB-CG 4.18Å; K304-Y306 VanDerWaalsContact CB-CZ 3.42Å; K304-Y306 HydrophobicContact CD-CE1 4.29Å; K304-Y306 HydrophobicContact CD-CE2 3.65Å; K304-Y306 VanDerWaalsContact CD-CZ 3.4Å; K304-Y306 WeakPolarHBondContact CD-OH 3.49Å; K304-Y306 WeakPolarHBondContact CE-OH 3.45Å; K304-Y306 HydrophobicContact CG-CE1 3.9Å; K304-Y306 HydrophobicContact CG-CE2 4.02Å; K304-Y306 WeakPolarHBondContact CG-OH 3.46Å; K304-Y306 PolarHBondContact NZ-OH 3.08Å; K304-Y306 PolarHBondContact O-N 3.47Å; K304-E307 HydrophobicContact CB-CG 4.06Å; K304-E307 WeakPolarHBondContact CD-OE1 3.33Å; K304-E307 IonicContact NZ-OE1 2.65Å; K304-E307 WeakPolarHBondContact O-CB 3.34Å; K304-E307 PolarHBondContact O-N 3.1Å
305I67.2Low58.5Low97 Ų97116 Ų11650%0.49757%0.574SS.*G310 helixtrans-56-30.1-175-60.3170.9000110.5Q303 E307 T308 F311 Y324Q303-I305 PolarHBondContact O-N 3.09Å; I305-E307 VanDerWaalsContact C-N 3.27Å; I305-E307 PolarHBondContact O-N 3.34Å; I305-T308 PolarHBondContact O-N 3.3Å; I305-T308 PolarHBondContact O-OG1 2.97Å; I305-F311 HydrophobicContact CG2-CD2 3.98Å; I305-F311 WeakPolarHBondContact O-CB 3.36Å; I305-F311 WeakPolarHBondContact O-CG 3.29Å; I305-Y324 HydrophobicContact CG2-CD2 4.15Å; I305-Y324 HydrophobicContact CG2-CE1 4.23Å; I305-Y324 HydrophobicContact CG2-CE2 3.79Å
306Y64.8Low60.5Low125 Ų125118 Ų11849%0.4957%0.573SS.*G310 helixtrans-75.8-5.7176.852.6-99.5000116.3K304 F311K304-Y306 HydrophobicContact CB-CD1 3.97Å; K304-Y306 HydrophobicContact CB-CD2 3.98Å; K304-Y306 HydrophobicContact CB-CE1 3.61Å; K304-Y306 HydrophobicContact CB-CE2 3.58Å; K304-Y306 HydrophobicContact CB-CG 4.18Å; K304-Y306 VanDerWaalsContact CB-CZ 3.42Å; K304-Y306 HydrophobicContact CD-CE1 4.29Å; K304-Y306 HydrophobicContact CD-CE2 3.65Å; K304-Y306 VanDerWaalsContact CD-CZ 3.4Å; K304-Y306 WeakPolarHBondContact CD-OH 3.49Å; K304-Y306 WeakPolarHBondContact CE-OH 3.45Å; K304-Y306 HydrophobicContact CG-CE1 3.9Å; K304-Y306 HydrophobicContact CG-CE2 4.02Å; K304-Y306 WeakPolarHBondContact CG-OH 3.46Å; K304-Y306 PolarHBondContact NZ-OH 3.08Å; K304-Y306 PolarHBondContact O-N 3.47Å; Y306-F311 VanDerWaalsContact CA-CD1 3.4Å
307E73.1Confident62.2Low101 Ų101116.8 Ų116.847%0.47256%0.562SS.*G310 helixtrans-104.29.1176.5-62173.4-175.300111.5Q303 K304 I305Q303-E307 PolarHBondContact NE2-O 2.98Å; K304-E307 HydrophobicContact CB-CG 4.06Å; K304-E307 WeakPolarHBondContact CD-OE1 3.33Å; K304-E307 IonicContact NZ-OE1 2.65Å; K304-E307 WeakPolarHBondContact O-CB 3.34Å; K304-E307 PolarHBondContact O-N 3.1Å; I305-E307 VanDerWaalsContact C-N 3.27Å; I305-E307 PolarHBondContact O-N 3.34Å
308T73.4Confident63.5Low33 Ų33119.6 Ų119.620%0.20257%0.567CS.*SBendtrans-90.8138.1171.562.50000110Q303 I305 E310 F311 I312Q303-T308 HydrophobicContact CG-CG2 4.25Å; I305-T308 PolarHBondContact O-N 3.3Å; I305-T308 PolarHBondContact O-OG1 2.97Å; T308-E310 PolarHBondContact O-N 3.46Å; T308-F311 PolarHBondContact O-N 3.2Å; T308-F311 WeakPolarHBondContact OG1-CB 3.48Å; T308-F311 PolarHBondContact OG1-N 3.46Å; T308-I312 PolarHBondContact O-N 3.01Å; T308-I312 VanDerWaalsContact O-N 3.16Å
309D70.4Confident64.8Low128 Ų128120.2 Ų120.268%0.68456%0.559SS**Hα-helixtrans-56.3-33.5175.7-63.2-30.7000110.7F311 I312 D313D309-F311 PolarHBondContact O-N 3.47Å; D309-I312 PolarHBondContact O-N 3.4Å; D309-D313 VanDerWaalsContact O-CB 3.28Å; D309-D313 WeakPolarHBondContact O-CB 3.47Å; D309-D313 PolarHBondContact O-N 3.42Å
310E68.9Low66Low131 Ų131115.8 Ų115.861%0.61255%0.548SS*.Hα-helixtrans-63.4-36.5174.4-65.5175.8-169.600114T308 Y314T308-E310 PolarHBondContact O-N 3.46Å; E310-Y314 WeakPolarHBondContact O-CB 3.34Å; E310-Y314 PolarHBondContact O-N 3.41Å
311F72.1Confident66.8Low56 Ų56115.6 Ų115.625%0.24653%0.533CS..Hα-helixtrans-71.8-40.5175.7173.9-85.1000111.2I305 Y306 T308 D309 D313 Y314 L315 Y324I305-F311 HydrophobicContact CG2-CD2 3.98Å; I305-F311 WeakPolarHBondContact O-CB 3.36Å; I305-F311 WeakPolarHBondContact O-CG 3.29Å; Y306-F311 VanDerWaalsContact CA-CD1 3.4Å; T308-F311 PolarHBondContact O-N 3.2Å; T308-F311 WeakPolarHBondContact OG1-CB 3.48Å; T308-F311 PolarHBondContact OG1-N 3.46Å; D309-F311 PolarHBondContact O-N 3.47Å; F311-D313 VanDerWaalsContact C-N 3.33Å; F311-Y314 PolarHBondContact O-N 2.81Å; F311-L315 HydrophobicContact CE1-CD1 4.12Å; F311-L315 HydrophobicContact CZ-CD1 4.06Å; F311-L315 WeakPolarHBondContact O-CB 3.5Å; F311-L315 PolarHBondContact O-N 2.88Å; F311-Y324 VanDerWaalsContact CD2-OH 3.25Å; F311-Y324 WeakPolarHBondContact CD2-OH 3.29Å
312I74.8Confident67.2Low75 Ų75105 Ų10539%0.38550%0.495SS..Hα-helixtrans-64.3-43.6176.6-62.1171.3000109.5T308 D309 Y314 L315 L316T308-I312 PolarHBondContact O-N 3.01Å; T308-I312 VanDerWaalsContact O-N 3.16Å; D309-I312 PolarHBondContact O-N 3.4Å; I312-Y314 VanDerWaalsContact C-N 3.35Å; I312-Y314 PolarHBondContact O-N 2.94Å; I312-L315 PolarHBondContact O-N 3.32Å; I312-L316 HydrophobicContact CG2-CD1 3.82Å; I312-L316 WeakPolarHBondContact O-CB 3.48Å; I312-L316 WeakPolarHBondContact O-CG 3.44Å; I312-L316 PolarHBondContact O-N 3.11Å
313D71.6Confident67Low91 Ų91102.5 Ų102.549%0.48749%0.486SS..Hα-helixtrans-63.4-38.6176.1-76.2-18.4000111.8D309 F311 N317D309-D313 VanDerWaalsContact O-CB 3.28Å; D309-D313 WeakPolarHBondContact O-CB 3.47Å; D309-D313 PolarHBondContact O-N 3.42Å; F311-D313 VanDerWaalsContact C-N 3.33Å; D313-N317 WeakPolarHBondContact O-CA 2.99Å; D313-N317 VanDerWaalsContact O-CB 3.23Å; D313-N317 WeakPolarHBondContact O-CB 3.34Å; D313-N317 PolarHBondContact O-N 3.23Å
314Y69.6Low67.2Low74 Ų7499.6 Ų99.629%0.2947%0.47SS..Hα-helixtrans-64.4-43.3172.5171.9-109.7000112.6E310 F311 I312 L316 N317 Q320 T321 P322E310-Y314 WeakPolarHBondContact O-CB 3.34Å; E310-Y314 PolarHBondContact O-N 3.41Å; F311-Y314 PolarHBondContact O-N 2.81Å; I312-Y314 VanDerWaalsContact C-N 3.35Å; I312-Y314 PolarHBondContact O-N 2.94Å; Y314-L316 VanDerWaalsContact C-N 3.27Å; Y314-L316 PolarHBondContact O-N 3.13Å; Y314-N317 CarbonylContact O-C 3.41Å; Y314-Q320 VanDerWaalsContact CD2-O 3.27Å; Y314-Q320 WeakPolarHBondContact CD2-O 3.5Å; Y314-T321 HydrophobicContact CE2-CG2 4.19Å; Y314-P322 HydrophobicContact CD2-CG 4.31Å; Y314-P322 HydrophobicContact CG-CG 4.11Å
315L74.9Confident66.4Low89 Ų8996.4 Ų96.447%0.46646%0.462SS..Hα-helixtrans-65.1-34.3-179.5-153.297.2000111.9F311 I312 Y318F311-L315 HydrophobicContact CE1-CD1 4.12Å; F311-L315 HydrophobicContact CZ-CD1 4.06Å; F311-L315 WeakPolarHBondContact O-CB 3.5Å; F311-L315 PolarHBondContact O-N 2.88Å; I312-L315 PolarHBondContact O-N 3.32Å; L315-Y318 WeakPolarHBondContact O-CE2 3.44Å
316L72.6Confident66Low122 Ų12298.6 Ų98.664%0.63946%0.464SS*.Hα-helixtrans-89.1-30.2-178.7-65.7173.9000112.5I312 Y314I312-L316 HydrophobicContact CG2-CD1 3.82Å; I312-L316 WeakPolarHBondContact O-CB 3.48Å; I312-L316 WeakPolarHBondContact O-CG 3.44Å; I312-L316 PolarHBondContact O-N 3.11Å; Y314-L316 VanDerWaalsContact C-N 3.27Å; Y314-L316 PolarHBondContact O-N 3.13Å
317N65.6Low65.4Low104 Ų104100.1 Ų100.156%0.55647%0.474SS*.  trans-120.681.6-179.9-60.7-51.5000110.5D313 Y314 Y319D313-N317 WeakPolarHBondContact O-CA 2.99Å; D313-N317 VanDerWaalsContact O-CB 3.23Å; D313-N317 WeakPolarHBondContact O-CB 3.34Å; D313-N317 PolarHBondContact O-N 3.23Å; Y314-N317 CarbonylContact O-C 3.41Å; N317-Y319 PolarHBondContact O-N 2.78Å
318Y61.4Low64.1Low166 Ų166100.8 Ų100.865%0.65149%0.488SS*.THydrogen-bonded Turntrans-60.243.8179.2-78-89.4000116.3L315L315-Y318 WeakPolarHBondContact O-CE2 3.44Å
319Y58.6Low62.8Low162 Ų162105.8 Ų105.864%0.63551%0.513SS*.THydrogen-bonded Turntrans-132.1-0.3-174.5-65.8-74.9000115.8N317N317-Y319 PolarHBondContact O-N 2.78Å
320Q59.6Low61.4Low128 Ų128107.6 Ų107.660%0.59852%0.517SS*.  trans-150.8117.4168.1-125.7159.3-3.400111.4Y314 P322Y314-Q320 VanDerWaalsContact CD2-O 3.27Å; Y314-Q320 WeakPolarHBondContact CD2-O 3.5Å; Q320-P322 WeakPolarHBondContact O-CD 3.49Å
321T56.8Low60.5Low69 Ų69106.3 Ų106.342%0.42353%0.529SS..  trans-58.8120.6170.510.30000108Y314 A325 R326Y314-T321 HydrophobicContact CE2-CG2 4.19Å; T321-A325 HydrophobicContact CG2-CB 3.98Å; T321-R326 PolarHBondContact O-NE 3.06Å; T321-R326 PolarHBondContact O-NH2 3.36Å
322P60.4Low59.2Low17 Ų17106.8 Ų106.811%0.1154%0.54CS..  trans-63.4155.917924.3-32.8000109.6Y314 Q320 Y324 A325 R326Y314-P322 HydrophobicContact CD2-CG 4.31Å; Y314-P322 HydrophobicContact CG-CG 4.11Å; Q320-P322 WeakPolarHBondContact O-CD 3.49Å; P322-Y324 HydrophobicContact CB-CD1 3.57Å; P322-Y324 HydrophobicContact CB-CE1 3.33Å; P322-Y324 HydrophobicContact CB-CG 4.44Å; P322-Y324 HydrophobicContact CG-CD1 3.66Å; P322-Y324 HydrophobicContact CG-CD2 4.44Å; P322-Y324 HydrophobicContact CG-CE1 3.03Å; P322-Y324 HydrophobicContact CG-CE2 3.91Å; P322-Y324 HydrophobicContact CG-CG 4.31Å; P322-Y324 VanDerWaalsContact CG-OH 3.26Å; P322-Y324 WeakPolarHBondContact CG-OH 3.38Å; P322-Y324 PolarHBondContact O-N 3.03Å; P322-Y324 VanDerWaalsContact O-N 3.09Å; P322-A325 HydrophobicContact CG-CB 4.11Å; P322-A325 WeakPolarHBondContact O-CA 3.12Å; P322-A325 WeakPolarHBondContact O-CB 3.41Å; P322-A325 PolarHBondContact O-N 3.23Å; P322-R326 PolarHBondContact O-N 3.45Å
323E59.2Low57.8Low146 Ų146112 Ų11268%0.68256%0.562SS**Hα-helixtrans-54.4-35.3-174.5-68.6-177.2171.600112.2A325 R326 F327E323-A325 PolarHBondContact O-N 3.48Å; E323-R326 PolarHBondContact O-N 2.93Å; E323-R326 VanDerWaalsContact O-N 3.14Å; E323-F327 WeakPolarHBondContact O-CD2 3.48Å; E323-F327 VanDerWaalsContact O-CE2 3.24Å; E323-F327 WeakPolarHBondContact O-CE2 3.35Å
324Y60.5Low56.5Low77 Ų77114 Ų11430%0.30257%0.572SS.*Hα-helixtrans-61.8-28.7175.874-103.7000113.8I305 F311 P322I305-Y324 HydrophobicContact CG2-CD2 4.15Å; I305-Y324 HydrophobicContact CG2-CE1 4.23Å; I305-Y324 HydrophobicContact CG2-CE2 3.79Å; F311-Y324 VanDerWaalsContact CD2-OH 3.25Å; F311-Y324 WeakPolarHBondContact CD2-OH 3.29Å; P322-Y324 HydrophobicContact CB-CD1 3.57Å; P322-Y324 HydrophobicContact CB-CE1 3.33Å; P322-Y324 HydrophobicContact CB-CG 4.44Å; P322-Y324 HydrophobicContact CG-CD1 3.66Å; P322-Y324 HydrophobicContact CG-CD2 4.44Å; P322-Y324 HydrophobicContact CG-CE1 3.03Å; P322-Y324 HydrophobicContact CG-CE2 3.91Å; P322-Y324 HydrophobicContact CG-CG 4.31Å; P322-Y324 VanDerWaalsContact CG-OH 3.26Å; P322-Y324 WeakPolarHBondContact CG-OH 3.38Å; P322-Y324 PolarHBondContact O-N 3.03Å; P322-Y324 VanDerWaalsContact O-N 3.09Å
325A59.6Low55.3Low34 Ų34116.7 Ų116.728%0.28160%0.596SS.*Hα-helixtrans-89.6-12.4179.700000112.7T321 P322 E323 F327T321-A325 HydrophobicContact CG2-CB 3.98Å; P322-A325 HydrophobicContact CG-CB 4.11Å; P322-A325 WeakPolarHBondContact O-CA 3.12Å; P322-A325 WeakPolarHBondContact O-CB 3.41Å; P322-A325 PolarHBondContact O-N 3.23Å; E323-A325 PolarHBondContact O-N 3.48Å; A325-F327 VanDerWaalsContact C-N 3.31Å
326R59.2Low54Low143 Ų143117 Ų11754%0.5461%0.605SS.*Hα-helixtrans-80.4-15174-59.7-175.8-156.1177.210112.5T321 P322 E323 C328T321-R326 PolarHBondContact O-NE 3.06Å; T321-R326 PolarHBondContact O-NH2 3.36Å; P322-R326 PolarHBondContact O-N 3.45Å; E323-R326 PolarHBondContact O-N 2.93Å; E323-R326 VanDerWaalsContact O-N 3.14Å; R326-C328 PolarHBondContact O-N 3.1Å
327F51.4Low53Low157 Ų157116.3 Ų116.369%0.68961%0.607SS**  trans-76.455.4165.9-57.3-79.1000111E323 A325 L329E323-F327 WeakPolarHBondContact O-CD2 3.48Å; E323-F327 VanDerWaalsContact O-CE2 3.24Å; E323-F327 WeakPolarHBondContact O-CE2 3.35Å; A325-F327 VanDerWaalsContact C-N 3.31Å; F327-L329 PolarHBondContact O-N 3.24Å
328C45.8Very low52.4Low115 Ų115113.5 Ų113.578%0.77760%0.595SS**  trans-6799.3148-72.70000104.4R326 E330R326-C328 PolarHBondContact O-N 3.1Å; C328-E330 PolarHBondContact O-N 3.44Å
329L46.8Very low52.9Low138 Ų138111.3 Ų111.372%0.72359%0.59SS**  trans-51.7112.1169.6-72.3165.8000106.4F327 A331F327-L329 PolarHBondContact O-N 3.24Å; L329-A331 PolarHBondContact O-N 3.1Å
330E40.3Very low53.8Low166 Ų166110.5 Ų110.578%0.77659%0.586SS**  trans-42.1126.5156-169.2165.9-164.100106C328 S332C328-E330 PolarHBondContact O-N 3.44Å; E330-S332 PolarHBondContact O-N 2.97Å; E330-S332 PolarHBondContact O-OG 3.45Å
331A49.8Very low54.6Low104 Ų104108.5 Ų108.586%0.8658%0.577SS**  trans-71.747.3-174.100000111.1L329 H333L329-A331 PolarHBondContact O-N 3.1Å; A331-H333 PolarHBondContact O-N 2.89Å
332S44.5Very low55.8Low66 Ų66113.9 Ų113.946%0.46259%0.59SS.*  trans-91.395.7175.846.40000108.6E330 L334E330-S332 PolarHBondContact O-N 2.97Å; E330-S332 PolarHBondContact O-OG 3.45Å; S332-L334 VanDerWaalsContact C-N 3.31Å; S332-L334 PolarHBondContact O-N 3.24Å
333H46.8Very low56.8Low183 Ų183114.1 Ų114.185%0.84759%0.59SS**  trans48.532.5147.5-47.7-70.5000119.1A331 T335A331-H333 PolarHBondContact O-N 2.89Å; H333-T335 PolarHBondContact O-N 3.39Å
334L43Very low58Low133 Ų133111.2 Ų111.270%0.69658%0.582SS**  trans-80107.2155.1-76.2162.5000106.8S332 S336S332-L334 VanDerWaalsContact C-N 3.31Å; S332-L334 PolarHBondContact O-N 3.24Å; L334-S336 PolarHBondContact O-N 3.35Å
335T44.5Very low59Low131 Ų131113 Ų11380%0.80459%0.589SS**  trans-56.862.2166.147.80000110.9H333 T337H333-T335 PolarHBondContact O-N 3.39Å; T335-T337 VanDerWaalsContact C-N 3.29Å; T335-T337 PolarHBondContact O-N 3.48Å
336S48.1Very low59.9Low95 Ų95115.1 Ų115.166%0.66461%0.606SS**  trans-75.590.2166.9168.30000106.1L334 C338L334-S336 PolarHBondContact O-N 3.35Å; S336-C338 PolarHBondContact O-N 3.04Å
337T51.6Low60.9Low108 Ų108115.5 Ų115.566%0.66361%0.612SS**  trans-59.211.3178.2280000115.1T335T335-T337 VanDerWaalsContact C-N 3.29Å; T335-T337 PolarHBondContact O-N 3.48Å
338C53.4Low62.4Low46 Ų46111.7 Ų111.731%0.31162%0.616SS.*  trans-121.685.8-175.9-65.20000109.8S336 K357S336-C338 PolarHBondContact O-N 3.04Å; C338-K357 WeakPolarHBondContact SG-CE 3.48Å; C338-K357 PolarHBondContact SG-NZ 2.95Å
339Q70.5Confident63.7Low119 Ų119115 Ų11556%0.55663%0.626SS**EExtended strand (participates in β ladder)trans-84.3117.7169.9-162.1165.62.300108.1Q358Q339-Q358 WeakPolarHBondContact O-CB 3.46Å; Q339-Q358 PolarHBondContact O-N 3.02Å
340W77.4Confident65.2Low146 Ų146109.8 Ų109.855%0.55361%0.606SS**EExtended strand (participates in β ladder)trans-89.2116.8174.2-72.491.3000108.7L355 R356 K357W340-L355 HydrophobicContact CD2-CD2 4.41Å; W340-L355 HydrophobicContact CE3-CB 4.27Å; W340-L355 HydrophobicContact CE3-CD2 3.91Å; W340-L355 HydrophobicContact CZ3-CB 4.49Å; W340-L355 HydrophobicContact CZ3-CD2 4.49Å; W340-R356 CarbonylContact C-O 3.6Å; W340-R356 WeakPolarHBondContact CA-O 3.39Å; W340-K357 HydrophobicContact CD2-CB 4.21Å; W340-K357 HydrophobicContact CD2-CG 4.24Å; W340-K357 HydrophobicContact CE3-CB 3.84Å; W340-K357 HydrophobicContact CE3-CG 4.38Å; W340-K357 HydrophobicContact CH2-CB 3.83Å; W340-K357 HydrophobicContact CH2-CD 4.07Å; W340-K357 HydrophobicContact CH2-CG 4.16Å; W340-K357 HydrophobicContact CZ2-CB 4.16Å; W340-K357 HydrophobicContact CZ2-CD 3.81Å; W340-K357 HydrophobicContact CZ2-CG 3.98Å; W340-K357 HydrophobicContact CZ3-CB 3.66Å; W340-K357 HydrophobicContact CZ3-CG 4.35Å
341Q76.8Confident67.3Low86 Ų86109.6 Ų109.640%0.40260%0.603SS.*EExtended strand (participates in β ladder)trans-91.8134.7173.8-173.7172.3-17.300109.5D343 L355 R356Q341-D343 PolarHBondContact NE2-OD1 2.92Å; Q341-L355 WeakPolarHBondContact O-CA 3.4Å; Q341-R356 PolarHBondContact N-O 3.35Å; Q341-R356 PolarHBondContact O-N 3.22Å
342R83.4Confident68.9Low182 Ų182108.2 Ų108.269%0.68758%0.579SS**EExtended strand (participates in β ladder)trans-111118.8174.6-70.7-177.8-177.2162.81.6108.6Y354 L355R342-Y354 WeakPolarHBondContact CA-O 3.48Å; R342-L355 HydrophobicContact CG-CD1 3.75Å; R342-L355 HydrophobicContact CG-CG 3.84Å
343D79.8Confident70.9Confident21 Ų21110.1 Ų110.111%0.11258%0.583CS.*EExtended strand (participates in β ladder)trans-107.9122.5173.1-54.9-45.2000108.2Q341 Y345 I353 Y354 R356Q341-D343 PolarHBondContact NE2-OD1 2.92Å; D343-Y345 HydrophobicContact CB-CD2 4.48Å; D343-Y345 HydrophobicContact CB-CE2 3.56Å; D343-I353 WeakPolarHBondContact O-CA 3.46Å; D343-Y354 PolarHBondContact N-O 3.25Å; D343-Y354 PolarHBondContact O-N 3.21Å; D343-R356 IonicContact OD2-CZ 2.69Å; D343-R356 IonicContact OD2-NE 3.18Å; D343-R356 PolarHBondContact OD2-NE 3.43Å; D343-R356 IonicContact OD2-NH2 3.93Å; D343-R356 PolarHBondContact OD2-NH2 3.43Å
344V85.7Confident72.7Confident85 Ų85106.5 Ų106.552%0.51556%0.562SS.*EExtended strand (participates in β ladder)trans-112.5119.5-178.3-174.40000108.3F351 Q352 I353V344-F351 HydrophobicContact CG1-CB 4.05Å; V344-F351 HydrophobicContact CG1-CD1 4.15Å; V344-F351 HydrophobicContact CG1-CG 4.42Å; V344-Q352 WeakPolarHBondContact CA-O 3.45Å; V344-I353 HydrophobicContact CG1-CG1 4.18Å; V344-I353 HydrophobicContact CG2-CG1 4.09Å; V344-I353 HydrophobicContact CG2-CG2 4.29Å
345Y81.6Confident74.5Confident116 Ų116104.5 Ų104.546%0.45555%0.552SS.*EExtended strand (participates in β ladder)trans-113129.1176.8-56.1-86.8000109D343 F351 Q352 Y354D343-Y345 HydrophobicContact CB-CD2 4.48Å; D343-Y345 HydrophobicContact CB-CE2 3.56Å; Y345-F351 CarbonylContact O-C 3.55Å; Y345-F351 WeakPolarHBondContact O-CA 3.49Å; Y345-Q352 PolarHBondContact N-O 3.48Å; Y345-Q352 PolarHBondContact O-N 3.1Å; Y345-Y354 AromaticContact CD2-CD2 3.56Å; Y345-Y354 HydrophobicContact CD2-CD2 3.56Å; Y345-Y354 AromaticContact CD2-CE2 3.74Å; Y345-Y354 HydrophobicContact CD2-CE2 3.74Å; Y345-Y354 AromaticContact CE2-CD2 3.55Å; Y345-Y354 HydrophobicContact CE2-CD2 3.55Å; Y345-Y354 AromaticContact CE2-CE2 3.98Å; Y345-Y354 HydrophobicContact CE2-CE2 3.98Å
346A78.1Confident76.1Confident77 Ų77104.8 Ų104.864%0.63654%0.539SS*.EExtended strand (participates in β ladder)trans-74.9124.516800000108.5F351A346-F351 HydrophobicContact CB-CD1 4Å; A346-F351 HydrophobicContact CB-CE1 3.96Å
347K79.9Confident77.5Confident152 Ų152106 Ų10666%0.66153%0.532SS*.EExtended strand (participates in β ladder)trans-129.6101.3176.5-167.8-179.3-177.8-178.70108.7D349 G350K347-D349 PolarHBondContact O-N 3.02Å; K347-G350 CarbonylContact C-O 3.6Å; K347-G350 PolarHBondContact N-O 2.98Å; K347-G350 PolarHBondContact O-N 2.83Å
348G82.1Confident77.8Confident76 Ų76104.8 Ų104.878%0.78452%0.518SS*.THydrogen-bonded Turntrans61.4-128.7-175.600000111.5G350G348-G350 PolarHBondContact O-N 3.28Å
349D73.2Confident77.7Confident184 Ų184104.8 Ų104.898%0.98453%0.527SS*.THydrogen-bonded Turntrans-81.310.6-179.7-63.7-18.7000114K347K347-D349 PolarHBondContact O-N 3.02Å
350G78.3Confident76.6Confident30 Ų30106.5 Ų106.531%0.30953%0.529SS..EExtended strand (participates in β ladder)trans-142.8179-176.600000114.6K347 G348K347-G350 CarbonylContact C-O 3.6Å; K347-G350 PolarHBondContact N-O 2.98Å; K347-G350 PolarHBondContact O-N 2.83Å; G348-G350 PolarHBondContact O-N 3.28Å
351F85Confident74.7Confident161 Ų161108 Ų10871%0.70654%0.542SS*.EExtended strand (participates in β ladder)trans-120.2138.4177.6-55.9-84000110.8V344 Y345 A346V344-F351 HydrophobicContact CG1-CB 4.05Å; V344-F351 HydrophobicContact CG1-CD1 4.15Å; V344-F351 HydrophobicContact CG1-CG 4.42Å; Y345-F351 CarbonylContact O-C 3.55Å; Y345-F351 WeakPolarHBondContact O-CA 3.49Å; A346-F351 HydrophobicContact CB-CD1 4Å; A346-F351 HydrophobicContact CB-CE1 3.96Å
352Q82.2Confident72.9Confident76 Ų76108.9 Ų108.936%0.35556%0.557SS.*EExtended strand (participates in β ladder)trans-108.1119.8171.9-167.6164.512.700108.8V344 Y345 Y354V344-Q352 WeakPolarHBondContact CA-O 3.45Å; Y345-Q352 PolarHBondContact N-O 3.48Å; Y345-Q352 PolarHBondContact O-N 3.1Å; Q352-Y354 HydrophobicContact CB-CE2 4.38Å; Q352-Y354 VanDerWaalsContact CD-OH 3.23Å; Q352-Y354 HydrophobicContact CG-CD2 4.31Å; Q352-Y354 HydrophobicContact CG-CE2 3.65Å; Q352-Y354 PolarHBondContact NE2-OH 3.11Å; Q352-Y354 PolarHBondContact OE1-OH 3.39Å
353I87.4Confident70.4Confident105 Ų105107.9 Ų107.954%0.53857%0.566SS.*EExtended strand (participates in β ladder)trans-106.3121.2-178.7-54177.9000108.6D343 V344 L355D343-I353 WeakPolarHBondContact O-CA 3.46Å; V344-I353 HydrophobicContact CG1-CG1 4.18Å; V344-I353 HydrophobicContact CG2-CG1 4.09Å; V344-I353 HydrophobicContact CG2-CG2 4.29Å; I353-L355 HydrophobicContact CG2-CD1 4.18Å
354Y84.4Confident67.9Low107 Ų107112.2 Ų112.242%0.4260%0.598SS.*EExtended strand (participates in β ladder)trans-103.7125.1170.6-65.9-87.2000109.5R342 D343 Y345 Q352R342-Y354 WeakPolarHBondContact CA-O 3.48Å; D343-Y354 PolarHBondContact N-O 3.25Å; D343-Y354 PolarHBondContact O-N 3.21Å; Y345-Y354 AromaticContact CD2-CD2 3.56Å; Y345-Y354 HydrophobicContact CD2-CD2 3.56Å; Y345-Y354 AromaticContact CD2-CE2 3.74Å; Y345-Y354 HydrophobicContact CD2-CE2 3.74Å; Y345-Y354 AromaticContact CE2-CD2 3.55Å; Y345-Y354 HydrophobicContact CE2-CD2 3.55Å; Y345-Y354 AromaticContact CE2-CE2 3.98Å; Y345-Y354 HydrophobicContact CE2-CE2 3.98Å; Q352-Y354 HydrophobicContact CB-CE2 4.38Å; Q352-Y354 VanDerWaalsContact CD-OH 3.23Å; Q352-Y354 HydrophobicContact CG-CD2 4.31Å; Q352-Y354 HydrophobicContact CG-CE2 3.65Å; Q352-Y354 PolarHBondContact NE2-OH 3.11Å; Q352-Y354 PolarHBondContact OE1-OH 3.39Å
355L81.1Confident65.2Low92 Ų92116 Ų11648%0.48261%0.614SS.*EExtended strand (participates in β ladder)trans-96.4117166.2-101.889.1000109W340 Q341 R342 I353W340-L355 HydrophobicContact CD2-CD2 4.41Å; W340-L355 HydrophobicContact CE3-CB 4.27Å; W340-L355 HydrophobicContact CE3-CD2 3.91Å; W340-L355 HydrophobicContact CZ3-CB 4.49Å; W340-L355 HydrophobicContact CZ3-CD2 4.49Å; Q341-L355 WeakPolarHBondContact O-CA 3.4Å; R342-L355 HydrophobicContact CG-CD1 3.75Å; R342-L355 HydrophobicContact CG-CG 3.84Å; I353-L355 HydrophobicContact CG2-CD1 4.18Å
356R78.9Confident62.8Low137 Ų137115.5 Ų115.552%0.51763%0.627SS.*EExtended strand (participates in β ladder)trans-108.3134.6171-68.7-168.9-91.9-153.12.5109.5W340 Q341 D343W340-R356 CarbonylContact C-O 3.6Å; W340-R356 WeakPolarHBondContact CA-O 3.39Å; Q341-R356 PolarHBondContact N-O 3.35Å; Q341-R356 PolarHBondContact O-N 3.22Å; D343-R356 IonicContact OD2-CZ 2.69Å; D343-R356 IonicContact OD2-NE 3.18Å; D343-R356 PolarHBondContact OD2-NE 3.43Å; D343-R356 IonicContact OD2-NH2 3.93Å; D343-R356 PolarHBondContact OD2-NH2 3.43Å
357K76.1Confident60.5Low121 Ų121121.2 Ų121.253%0.52664%0.641SS.*EExtended strand (participates in β ladder)trans-89.1111.7171.2-167.6-178.1179.3-171.60107.3C338 W340 G359C338-K357 WeakPolarHBondContact SG-CE 3.48Å; C338-K357 PolarHBondContact SG-NZ 2.95Å; W340-K357 HydrophobicContact CD2-CB 4.21Å; W340-K357 HydrophobicContact CD2-CG 4.24Å; W340-K357 HydrophobicContact CE3-CB 3.84Å; W340-K357 HydrophobicContact CE3-CG 4.38Å; W340-K357 HydrophobicContact CH2-CB 3.83Å; W340-K357 HydrophobicContact CH2-CD 4.07Å; W340-K357 HydrophobicContact CH2-CG 4.16Å; W340-K357 HydrophobicContact CZ2-CB 4.16Å; W340-K357 HydrophobicContact CZ2-CD 3.81Å; W340-K357 HydrophobicContact CZ2-CG 3.98Å; W340-K357 HydrophobicContact CZ3-CB 3.66Å; W340-K357 HydrophobicContact CZ3-CG 4.35Å; K357-G359 PolarHBondContact O-N 3.04Å
358Q57.7Low58Low81 Ų81122.3 Ų122.338%0.37965%0.648SS.*EExtended strand (participates in β ladder)trans-79.1106.9175.7-150.9176.413.300107.8Q339Q339-Q358 WeakPolarHBondContact O-CB 3.46Å; Q339-Q358 PolarHBondContact O-N 3.02Å
359G52.2Low55.5Low47 Ų47127.5 Ų127.549%0.48565%0.653SS.*  trans-94.9117.8169.600000108.7K357 H361K357-G359 PolarHBondContact O-N 3.04Å; G359-H361 PolarHBondContact O-N 3.39Å; G359-H361 VanDerWaalsContact O-N 3.12Å
360Y47.1Very low53.4Low154 Ų154124.5 Ų124.560%0.60465%0.646SS**  trans-70105.1167-71.4-86.4000108S362Y360-S362 VanDerWaalsContact C-N 3.28Å; Y360-S362 PolarHBondContact O-N 3.16Å
361H37.1Very low51.2Low179 Ų179131.2 Ų131.283%0.82967%0.674SS**  trans-80.786.5159.7-64.4-63.4000106.8G359 N363G359-H361 PolarHBondContact O-N 3.39Å; G359-H361 VanDerWaalsContact O-N 3.12Å; H361-N363 PolarHBondContact O-N 3.21Å
362S39Very low48.3Very low103 Ų103132.9 Ų132.972%0.7268%0.684SS**  trans-70.884.5171.7-55.10000109.1Y360Y360-S362 VanDerWaalsContact C-N 3.28Å; Y360-S362 PolarHBondContact O-N 3.16Å
363N30.8Very low45.5Very low161 Ų161132.3 Ų132.386%0.86170%0.699SS**  trans-86.395.5152.4-91.617.6000107.2H361H361-N363 PolarHBondContact O-N 3.21Å
364S27.1Very low42.7Very low113 Ų113135.7 Ų135.779%0.7972%0.716SS**  trans-162.3116.7145.141.30000109.3
365L30.3Very low40Very low165 Ų165138.2 Ų138.286%0.86473%0.732SS**  trans-68.6143.1163.8-126.787.7000108.5
366S30.6Very low37.5Very low104 Ų104142.3 Ų142.373%0.72775%0.748SS**  trans48.9115.9151.566.60000119.8
367E29Very low35.1Very low198 Ų198143 Ų14393%0.92576%0.762SS**  -152.3114.2115.7-141.7161.9-170.800109.1
368E28.3Very low33Very low174 Ų174145.4 Ų145.481%0.81378%0.775SS**  trans-71157.2168.8-112164.9161.400109.8
369E29Very low31.8Very low186 Ų186149.8 Ų149.887%0.86980%0.795SS**  trans63.597.7157.5-67.1-175.3141.600119
370S29.2Very low30.8Very low121 Ų121156 Ų15685%0.84681%0.812SS**  -152.6108.7114560000110.8
371L31.9Very low29.9Very low170 Ų170156 Ų15689%0.8982%0.823SS**  trans-71.7140.2148.5-78.5162.5000106.9
372Q25.3Very low29.6Very low196 Ų196159.1 Ų159.192%0.91683%0.827SS**  trans145.9108132.8-165.1158.328.400112.9
373G23.3Very low29.6Very low65 Ų65159.8 Ų159.867%0.6783%0.829SS**  trans70.6117.5140.900000119.2
374I28.5Very low29.6Very low175 Ų175160.9 Ų160.990%0.89783%0.829SS**  175.8133110.3-84.1155.7000108.7
375E26.8Very low29.9Very low161 Ų161162 Ų16275%0.75283%0.83SS**  trans-77.6170.1171.7-63.1-178.2139.300112.6
376Q29.7Very low29.7Very low178 Ų178164.1 Ų164.183%0.83283%0.829SS**  trans77.6146.3163.6-62.2172.919.900114.7
377D27.5Very low29.7Very low150 Ų150166.3 Ų166.380%0.80283%0.831SS**  cis-171.8-177.4-14.2-161.5-6.3000104.2
378E32.3Very low29.8Very low172 Ų172166.4 Ų166.480%0.80483%0.828SS**  trans86.4105.3166.3-75.2-177.4147.300121.1
379E32.4Very low29.9Very low173 Ų173165.4 Ų165.481%0.80883%0.828SS**  9.5119.7123.6-84-177.116100118.6
380Q30.7Very low30.5Very low178 Ų178162.2 Ų162.283%0.83282%0.824SS**  171.4149.5116.3-96.1161.617.100113.9
381D28.3Very low30.7Very low155 Ų155165.4 Ų165.483%0.82983%0.825SS**  trans76.8107.2148.4-97.5-1.3000122
382W31.8Very low30.7Very low244 Ų244162.7 Ų162.792%0.92482%0.82SS**PPolyproline II helixtrans-84.7135.8155.5-74.189.6000110.2
383P38.2Very low31.1Very low116 Ų116163 Ų16375%0.75382%0.819SS**PPolyproline II helixtrans-93.7117.3166.328.4-19.6000111.8
384Q32.1Very low31.6Very low185 Ų185165.1 Ų165.186%0.86482%0.823SS**PPolyproline II helixtrans-65.3122.5167.1-167.7169.912.800110.5
385V32.6Very low31.9Very low135 Ų135165.3 Ų165.382%0.81882%0.82SS**  trans-108.6120.1174.7178.90000110.4
386Y26.8Very low32.3Very low211 Ų211167 Ų16783%0.82783%0.825SS**  trans-61.4139.4178.6-107.2-105.7000113.6
387I30.6Very low32.3Very low150 Ų150165.2 Ų165.277%0.76983%0.826SS**  trans-93.4128.3165.7-64.8171.5000108.5
388K31.3Very low32.4Very low200 Ų200162 Ų16287%0.8783%0.83SS**  trans-117116.9164.2-101.2-177.4176.1178.10108.5
389D28.8Very low32.6Very low152 Ų152162.9 Ų162.981%0.81383%0.83SS**PPolyproline II helixtrans-75.8148.7166.8-88-34.4000111.4
390P42Very low32.7Very low120 Ų120161 Ų16178%0.77983%0.825SS**PPolyproline II helixtrans-102.7134.8163.533.9-24.3000112.6
391E33.7Very low32.8Very low188 Ų188159.5 Ų159.588%0.87982%0.822SS**PPolyproline II helixtrans-70.9147.7170.2-69.3-179137.200113.1
392S32.6Very low33.3Very low113 Ų113163.3 Ų163.379%0.7983%0.827SS**  -166.1107.6126.762.50000114.5
393K34.2Very low33.5Very low203 Ų203156.1 Ų156.188%0.88382%0.819SS**  trans41129.6133.7-59.7179.3-178.7175.20121.8
394S33.3Very low33.7Very low109 Ų109159.7 Ų159.776%0.76282%0.823SS**  -169.5128.8104.2510000115
395Q33.2Very low34Very low179 Ų179158.3 Ų158.384%0.83682%0.817SS**  trans40.7122.7141.5-68.2175.6-32.900122
396K35.7Very low34.3Very low195 Ų195165 Ų16585%0.84884%0.835SS**  -175.6118.3101.1-98.5171.7-174.8176.50112.7
397T31Very low34.7Very low141 Ų141162.7 Ų162.787%0.86584%0.835SS**  trans31.1118.2136.336.20000120.6
398G29.7Very low34.9Very low84 Ų84163.3 Ų163.387%0.86684%0.839SS**  trans-169107.5158.300000109.4
399K35.3Very low35.1Very low189 Ų189161.3 Ų161.382%0.82284%0.837SS**  trans-87160.2-168.9-115.6174.1178.4179.90111.5
400I35.1Very low35.4Very low135 Ų135161.8 Ų161.869%0.69284%0.838SS**  trans78.2128.9144.8-69.6164.7000114.2
401N32.9Very low35Very low145 Ų145164.4 Ų164.478%0.77584%0.842SS**  cis-162.8163.514.5-99.4-11.2000111.5
402Y37.5Very low35.1Very low236 Ų236162.9 Ų162.993%0.92584%0.84SS**  trans-75.2147.9172.6-79.3-99000114.7
403A37.9Very low35.3Very low93 Ų93166.4 Ų166.477%0.76984%0.843SS**  trans178.311514000000105.7
404K42.2Very low35.4Very low191 Ų191163.6 Ų163.683%0.8384%0.84SS**  44.597.761.5-139.6-172.8-171.3-173.60113.4
405E37.3Very low35.6Very low156 Ų156168.2 Ų168.273%0.72985%0.847SS**  159.8129.8121-88.6-177176.700111.2
406F38.9Very low35.8Very low274 Ų274167.2 Ų167.2100%1.20285%0.848SS**  trans66.20170.2-63.9-76.5000120.4

Retrieved 406 of 406 residues in 483 ms (Link to these results)