A0A096MNM9_PAPAN Loading...

Dynein regulatory complex protein 12

Component of the nexin-dynein regulatory complex (N-DRC), a key regulator of ciliary/flagellar motility which maintains the alignment and integrity of the distal axoneme and regulates microtubule sliding in motile axonemes.

AlphaFold DB , UniProt , Accession A0A096MNM9, Species PAPAN (Papio anubis, Olive baboon), Gene DRC12, Length 208 aa.

Structure Viewer
Loading PAE data...
(Predicted Aligned Error values between residue pairs)
Error loading PAE data: please refresh the page.

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
1M32.2Very low39.9Very low232 Ų232164.6 Ų164.6100%1.14382%0.82SS**  0147.60-77.4-59-102.600108
2P54.3Low39.3Very low97 Ų97160 Ų16063%0.6382%0.816SS**  -114.5-178.8-107.621.62.4000112.1
3L40.3Very low39.1Very low151 Ų151153.9 Ų153.979%0.79182%0.817SS**  -176.3123.973.1-75.8160000108.2
4K40Very low38.9Very low182 Ų182150.3 Ų150.379%0.79182%0.82SS**  52.8109.889.3-83.9-171.1-179.1179.20116.7
5N37.3Very low39.3Very low132 Ų132153.1 Ų153.171%0.70683%0.825SS**  165.4135.997.4-90.7-23.6000115.5
6K42.3Very low39.9Very low165 Ų165156.2 Ų156.272%0.71783%0.828SS**  trans52.8144.5134.2-69179.4161.2-1500120.3
7E36.8Very low40.1Very low147 Ų147158.5 Ų158.569%0.68783%0.83SS**  cis-167.5144.619.4-125.2159.2-156.400111.6
8K39.4Very low40.8Very low208 Ų208158.2 Ų158.290%0.90482%0.821SS**  trans15.6131.2148.8-73.1169.6173.2173.70122.7
9G34.4Very low41.2Very low83 Ų83156.3 Ų156.386%0.85681%0.812SS**  trans-165.5104.8149.900000112.9
10K45Very low41.7Very low212 Ų212156.2 Ų156.292%0.92280%0.8SS**  trans-95.4123.9-175.1-143.4-179.6-172.8-178.90109.3
11K36.7Very low42.5Very low202 Ų202151.4 Ų151.488%0.87879%0.79SS**  trans-146.9111.5161.1-85.2-172.1179.81710113.1
12S32.9Very low44Very low109 Ų109142.7 Ų142.776%0.76276%0.755SS**  trans32107.3148.759.20000119.9A14S12-A14 PolarHBondContact O-N 3.31Å
13G36.8Very low44.5Very low81 Ų81142.4 Ų142.484%0.83575%0.748SS**  trans-65.5117.9157.700000110.8Q15G13-Q15 PolarHBondContact O-N 3.48Å
14A36.7Very low46Very low103 Ų103139.3 Ų139.385%0.85174%0.735SS**  trans-74.1104.4168.200000108.7S12 K16S12-A14 PolarHBondContact O-N 3.31Å; A14-K16 PolarHBondContact O-N 3.26Å; A14-K16 VanDerWaalsContact O-N 3.12Å
15Q43.8Very low47.8Very low192 Ų192135.4 Ų135.490%0.89772%0.72SS**  trans-64.9107.6171.2-148.9173.3-34.900108G13 K17G13-Q15 PolarHBondContact O-N 3.48Å; Q15-K17 VanDerWaalsContact C-N 3.33Å; Q15-K17 PolarHBondContact O-N 3.11Å
16K48.8Very low49.9Very low203 Ų203131.6 Ų131.688%0.88371%0.706SS**  trans-6491.9175.1-167.1172.8-176.7176.30108.5A14 K18A14-K16 PolarHBondContact O-N 3.26Å; A14-K16 VanDerWaalsContact O-N 3.12Å; K16-K18 PolarHBondContact O-N 3.14Å
17K43.8Very low51.8Low196 Ų196127.7 Ų127.785%0.85269%0.691SS**  trans-63.3103.5174.6-161.8175.9-177.5-179.30107.5Q15 N19Q15-K17 VanDerWaalsContact C-N 3.33Å; Q15-K17 PolarHBondContact O-N 3.11Å; K17-N19 PolarHBondContact O-N 3.41Å
18K52.7Low54Low153 Ų153123.7 Ų123.767%0.66568%0.679SS**  trans-69.8114-177.9-156.4168.6171.1-176.60107.9K16 W20K16-K18 PolarHBondContact O-N 3.14Å; K18-W20 HydrophobicContact CD-CZ2 4.41Å; K18-W20 VanDerWaalsContact CE-NE1 3.33Å; K18-W20 VanDerWaalsContact CG-NE1 3.34Å; K18-W20 PolarHBondContact O-N 3.32Å
19N48.7Very low56.3Low122 Ų122120.9 Ų120.965%0.65266%0.663SS**  trans-79.144.3-164.6-142.121.3000113.4K17 G21 A22 D23K17-N19 PolarHBondContact O-N 3.41Å; N19-G21 VanDerWaalsContact C-N 3.3Å; N19-G21 PolarHBondContact O-N 3.14Å; N19-A22 PolarHBondContact O-N 3.49Å; N19-D23 PolarHBondContact O-N 3.43Å
20W51.5Low59Low153 Ų153122.9 Ų122.958%0.5865%0.65SS**Hα-helixtrans-60-32.1-171.8-75.599.7000114.4K18 V24K18-W20 HydrophobicContact CD-CZ2 4.41Å; K18-W20 VanDerWaalsContact CE-NE1 3.33Å; K18-W20 VanDerWaalsContact CG-NE1 3.34Å; K18-W20 PolarHBondContact O-N 3.32Å; W20-V24 WeakPolarHBondContact O-CB 3.37Å; W20-V24 VanDerWaalsContact O-CG2 3.23Å; W20-V24 WeakPolarHBondContact O-CG2 3.39Å; W20-V24 PolarHBondContact O-N 2.95Å; W20-V24 VanDerWaalsContact O-N 3.08Å
21G58.4Low61.1Low56 Ų56120.3 Ų120.358%0.57763%0.634SS**Hα-helixtrans-70-38.3-179.700000113.8N19 E25N19-G21 VanDerWaalsContact C-N 3.3Å; N19-G21 PolarHBondContact O-N 3.14Å; G21-E25 WeakPolarHBondContact O-CB 3.02Å; G21-E25 PolarHBondContact O-N 3.44Å
22A62.8Low63.8Low50 Ų50116.2 Ų116.241%0.41362%0.621SS.*Hα-helixtrans-73.7-29.6177.500000112.3N19 A26N19-A22 PolarHBondContact O-N 3.49Å; A22-A26 VanDerWaalsContact O-CB 3.31Å; A22-A26 WeakPolarHBondContact O-CB 3.49Å; A22-A26 PolarHBondContact O-N 2.94Å
23D66.2Low66.7Low90 Ų90115.1 Ų115.148%0.48161%0.61SS.*Hα-helixtrans-72.6-45.8177.3-158.431.5000111.4N19 E25 A26 E27N19-D23 PolarHBondContact O-N 3.43Å; D23-E25 VanDerWaalsContact C-N 3.32Å; D23-E25 PolarHBondContact O-N 3.31Å; D23-A26 PolarHBondContact O-N 2.92Å; D23-E27 WeakPolarHBondContact O-CG 3.44Å; D23-E27 PolarHBondContact O-N 2.96Å
24V70.9Confident69.5Low87 Ų87113.8 Ų113.853%0.52759%0.585SS.*Hα-helixtrans-64.5-35.6175.8172.30000112.1W20 S28W20-V24 WeakPolarHBondContact O-CB 3.37Å; W20-V24 VanDerWaalsContact O-CG2 3.23Å; W20-V24 WeakPolarHBondContact O-CG2 3.39Å; W20-V24 PolarHBondContact O-N 2.95Å; W20-V24 VanDerWaalsContact O-N 3.08Å; V24-S28 PolarHBondContact O-N 3.47Å; V24-S28 PolarHBondContact O-OG 3.34Å
25E78.5Confident72.2Confident99 Ų99113.7 Ų113.746%0.46357%0.57SS.*Hα-helixtrans-74.2-33.5175.9-160.3179.1174.700112.5G21 D23 S28 R29G21-E25 WeakPolarHBondContact O-CB 3.02Å; G21-E25 PolarHBondContact O-N 3.44Å; D23-E25 VanDerWaalsContact C-N 3.32Å; D23-E25 PolarHBondContact O-N 3.31Å; E25-S28 WeakPolarHBondContact CA-OG 3.43Å; E25-S28 PolarHBondContact O-OG 3.07Å; E25-R29 VanDerWaalsContact CD-NH2 3.34Å; E25-R29 WeakPolarHBondContact O-CB 3.34Å; E25-R29 WeakPolarHBondContact O-CD 3.36Å; E25-R29 WeakPolarHBondContact O-CG 3.43Å; E25-R29 PolarHBondContact O-N 2.88Å; E25-R29 VanDerWaalsContact O-N 3.11Å; E25-R29 IonicContact OE1-CZ 3.52Å; E25-R29 IonicContact OE1-NE 3.85Å; E25-R29 IonicContact OE1-NH2 2.79Å; E25-R29 PolarHBondContact OE1-NH2 3Å; E25-R29 IonicContact OE2-NH2 3.77Å
26A80.1Confident74.7Confident52 Ų52110 Ų11043%0.4355%0.552SS.*Hα-helixtrans-66.9-40.5170.700000111.5A22 D23 H30A22-A26 VanDerWaalsContact O-CB 3.31Å; A22-A26 WeakPolarHBondContact O-CB 3.49Å; A22-A26 PolarHBondContact O-N 2.94Å; D23-A26 PolarHBondContact O-N 2.92Å; A26-H30 VanDerWaalsContact O-CB 3.28Å; A26-H30 WeakPolarHBondContact O-CB 3.41Å; A26-H30 PolarHBondContact O-N 3.45Å
27E82.1Confident76.9Confident84 Ų84105.6 Ų105.639%0.39353%0.533SS..Hα-helixtrans-63.9-42.3174.1-76.7-174.1-162.500112.8D23 H30 R31D23-E27 WeakPolarHBondContact O-CG 3.44Å; D23-E27 PolarHBondContact O-N 2.96Å; E27-H30 PolarHBondContact O-N 3.4Å; E27-R31 WeakPolarHBondContact O-CB 3.35Å; E27-R31 VanDerWaalsContact O-CG 3.22Å; E27-R31 WeakPolarHBondContact O-CG 3.42Å; E27-R31 PolarHBondContact O-N 2.93Å; E27-R31 IonicContact OE2-CZ 3.57Å; E27-R31 IonicContact OE2-NH2 2.69Å; E27-R31 PolarHBondContact OE2-NH2 3.26Å
28S84.4Confident79.4Confident62 Ų62100.5 Ų100.543%0.43451%0.512SS..Hα-helixtrans-67.2-40.5179.367.50000112V24 E25 R31 L32V24-S28 PolarHBondContact O-N 3.47Å; V24-S28 PolarHBondContact O-OG 3.34Å; E25-S28 WeakPolarHBondContact CA-OG 3.43Å; E25-S28 PolarHBondContact O-OG 3.07Å; S28-R31 PolarHBondContact O-N 3.26Å; S28-L32 PolarHBondContact O-N 3.01Å
29R88Confident81.4Confident149 Ų14998.1 Ų98.156%0.56251%0.507SS*.Hα-helixtrans-63.3-40.9171.5-69.4170.8-171.8-173.64.6111.6E25 L32 V33E25-R29 VanDerWaalsContact CD-NH2 3.34Å; E25-R29 WeakPolarHBondContact O-CB 3.34Å; E25-R29 WeakPolarHBondContact O-CD 3.36Å; E25-R29 WeakPolarHBondContact O-CG 3.43Å; E25-R29 PolarHBondContact O-N 2.88Å; E25-R29 VanDerWaalsContact O-N 3.11Å; E25-R29 IonicContact OE1-CZ 3.52Å; E25-R29 IonicContact OE1-NE 3.85Å; E25-R29 IonicContact OE1-NH2 2.79Å; E25-R29 PolarHBondContact OE1-NH2 3Å; E25-R29 IonicContact OE2-NH2 3.77Å; R29-L32 PolarHBondContact O-N 2.79Å; R29-V33 WeakPolarHBondContact O-CG2 3.38Å; R29-V33 PolarHBondContact O-N 3.33Å
30H89.4Confident83.7Confident126 Ų12696.9 Ų96.958%0.58350%0.5SS*.Hα-helixtrans-62.4-45.5175.1-175.765.7000111.7A26 E27 L32 V33 V34A26-H30 VanDerWaalsContact O-CB 3.28Å; A26-H30 WeakPolarHBondContact O-CB 3.41Å; A26-H30 PolarHBondContact O-N 3.45Å; E27-H30 PolarHBondContact O-N 3.4Å; H30-L32 VanDerWaalsContact C-N 3.34Å; H30-L32 PolarHBondContact O-N 2.86Å; H30-V33 PolarHBondContact O-N 2.93Å; H30-V34 VanDerWaalsContact O-CG2 3.29Å; H30-V34 WeakPolarHBondContact O-CG2 3.28Å; H30-V34 PolarHBondContact O-N 3.41Å
31R90.8Very high85.8Confident158 Ų15896 Ų9660%0.59650%0.496SS*.Hα-helixtrans-59.6-42.1175.5-70.5170.5-159.8-165.58.4111.8E27 S28 V34 L35E27-R31 WeakPolarHBondContact O-CB 3.35Å; E27-R31 VanDerWaalsContact O-CG 3.22Å; E27-R31 WeakPolarHBondContact O-CG 3.42Å; E27-R31 PolarHBondContact O-N 2.93Å; E27-R31 IonicContact OE2-CZ 3.57Å; E27-R31 IonicContact OE2-NH2 2.69Å; E27-R31 PolarHBondContact OE2-NH2 3.26Å; S28-R31 PolarHBondContact O-N 3.26Å; R31-V34 PolarHBondContact O-N 3.07Å; R31-L35 WeakPolarHBondContact O-CG 3.42Å; R31-L35 PolarHBondContact O-N 2.92Å
32L92.9Very high87.6Confident116 Ų11698 Ų9861%0.60749%0.493SS*.Hα-helixtrans-62.2-45.9176.3-175.967.1000112S28 R29 H30 V34 L35 E36S28-L32 PolarHBondContact O-N 3.01Å; R29-L32 PolarHBondContact O-N 2.79Å; H30-L32 VanDerWaalsContact C-N 3.34Å; H30-L32 PolarHBondContact O-N 2.86Å; L32-V34 VanDerWaalsContact C-N 3.29Å; L32-V34 PolarHBondContact O-N 3.32Å; L32-L35 PolarHBondContact O-N 3.17Å; L32-E36 PolarHBondContact O-N 3.4Å
33V93.9Very high89.2Confident86 Ų86100.8 Ų100.852%0.52150%0.498SS..Hα-helixtrans-63.1-36.5177170.80000111.6R29 H30 K37R29-V33 WeakPolarHBondContact O-CG2 3.38Å; R29-V33 PolarHBondContact O-N 3.33Å; H30-V33 PolarHBondContact O-N 2.93Å; V33-K37 VanDerWaalsContact O-CB 3.27Å; V33-K37 WeakPolarHBondContact O-CB 3.49Å; V33-K37 PolarHBondContact O-N 3.36Å
34V95.1Very high90.7Very high53 Ų53101.1 Ų101.132%0.32150%0.499SS..Hα-helixtrans-63.9-46.1174.8170.40000110.9H30 R31 L32 K37 E38H30-V34 VanDerWaalsContact O-CG2 3.29Å; H30-V34 WeakPolarHBondContact O-CG2 3.28Å; H30-V34 PolarHBondContact O-N 3.41Å; R31-V34 PolarHBondContact O-N 3.07Å; L32-V34 VanDerWaalsContact C-N 3.29Å; L32-V34 PolarHBondContact O-N 3.32Å; V34-K37 WeakPolarHBondContact O-CB 3.35Å; V34-K37 PolarHBondContact O-N 2.82Å; V34-E38 WeakPolarHBondContact O-CG 3.4Å; V34-E38 PolarHBondContact O-N 3.49Å
35L93.8Very high91.9Very high100 Ų10099 Ų9952%0.52449%0.49SS..Hα-helixtrans-63.4-43.1177.2-69.8171.3000112.4R31 L32 K37 E38 L39R31-L35 WeakPolarHBondContact O-CG 3.42Å; R31-L35 PolarHBondContact O-N 2.92Å; L32-L35 PolarHBondContact O-N 3.17Å; L35-K37 VanDerWaalsContact C-N 3.32Å; L35-K37 PolarHBondContact O-N 2.93Å; L35-E38 PolarHBondContact O-N 2.81Å; L35-L39 WeakPolarHBondContact O-CG 3.46Å; L35-L39 PolarHBondContact O-N 3.33Å
36E95.2Very high92.8Very high115 Ų11599 Ų9954%0.53749%0.493SS..Hα-helixtrans-62.6-40.8176.4-174.4175.6-165.500111.6L32 E38 L39 L40L32-E36 PolarHBondContact O-N 3.4Å; E36-E38 VanDerWaalsContact C-N 3.31Å; E36-E38 PolarHBondContact O-N 2.68Å; E36-L39 PolarHBondContact O-N 3.46Å; E36-L40 HydrophobicContact CG-CD1 4.26Å; E36-L40 WeakPolarHBondContact O-CB 3.38Å; E36-L40 VanDerWaalsContact O-CG 3.28Å; E36-L40 WeakPolarHBondContact O-CG 3.39Å; E36-L40 PolarHBondContact O-N 3.35Å
37K95.4Very high93.6Very high111 Ų111105.5 Ų105.548%0.48351%0.507SS..Hα-helixtrans-62-39174.6-176.4-173.3-174-171.90112V33 V34 L35 R41V33-K37 VanDerWaalsContact O-CB 3.27Å; V33-K37 WeakPolarHBondContact O-CB 3.49Å; V33-K37 PolarHBondContact O-N 3.36Å; V34-K37 WeakPolarHBondContact O-CB 3.35Å; V34-K37 PolarHBondContact O-N 2.82Å; L35-K37 VanDerWaalsContact C-N 3.32Å; L35-K37 PolarHBondContact O-N 2.93Å; K37-R41 VanDerWaalsContact CE-CZ 3.47Å; K37-R41 WeakPolarHBondContact O-CB 3.33Å; K37-R41 WeakPolarHBondContact O-CD 3.35Å; K37-R41 WeakPolarHBondContact O-CG 3.38Å; K37-R41 PolarHBondContact O-N 2.96Å
38E95.7Very high94.3Very high88 Ų88109.3 Ų109.341%0.41152%0.517SS..Hα-helixtrans-66.2-48.1175.2-73.3170.7-18000111.5V34 L35 E36 L40 R41 D42V34-E38 WeakPolarHBondContact O-CG 3.4Å; V34-E38 PolarHBondContact O-N 3.49Å; L35-E38 PolarHBondContact O-N 2.81Å; E36-E38 VanDerWaalsContact C-N 3.31Å; E36-E38 PolarHBondContact O-N 2.68Å; E38-L40 VanDerWaalsContact C-N 3.33Å; E38-L40 PolarHBondContact O-N 3.36Å; E38-R41 WeakPolarHBondContact O-CA 3.36Å; E38-R41 WeakPolarHBondContact O-CB 3.32Å; E38-R41 PolarHBondContact O-N 3.09Å; E38-D42 PolarHBondContact O-N 2.87Å
39L96.1Very high94.9Very high104 Ų104109.1 Ų109.155%0.54551%0.511SS..Hα-helixtrans-57.6-43.7175.1-72.2171.4000112.6L35 E36 R41 D42 H43L35-L39 WeakPolarHBondContact O-CG 3.46Å; L35-L39 PolarHBondContact O-N 3.33Å; E36-L39 PolarHBondContact O-N 3.46Å; L39-R41 VanDerWaalsContact C-N 3.32Å; L39-R41 PolarHBondContact O-N 2.88Å; L39-D42 PolarHBondContact O-N 2.85Å; L39-H43 WeakPolarHBondContact O-CB 3.34Å; L39-H43 PolarHBondContact O-N 3.43Å
40L95.6Very high95.3Very high96 Ų96107.8 Ų107.850%0.50351%0.512SS..Hα-helixtrans-65.4-36176.3-71.4174.4000112.1E36 E38 L44E36-L40 HydrophobicContact CG-CD1 4.26Å; E36-L40 WeakPolarHBondContact O-CB 3.38Å; E36-L40 VanDerWaalsContact O-CG 3.28Å; E36-L40 WeakPolarHBondContact O-CG 3.39Å; E36-L40 PolarHBondContact O-N 3.35Å; E38-L40 VanDerWaalsContact C-N 3.33Å; E38-L40 PolarHBondContact O-N 3.36Å; L40-L44 WeakPolarHBondContact O-CB 3.46Å; L40-L44 VanDerWaalsContact O-CG 3.28Å; L40-L44 WeakPolarHBondContact O-CG 3.33Å; L40-L44 PolarHBondContact O-N 2.95Å
41R96.4Very high95.7Very high135 Ų135104.6 Ų104.651%0.50951%0.507SS..Hα-helixtrans-65.1-42.9174-77.1163.6168.5-177.5-11.6111.3K37 E38 L39 L44 A45K37-R41 VanDerWaalsContact CE-CZ 3.47Å; K37-R41 WeakPolarHBondContact O-CB 3.33Å; K37-R41 WeakPolarHBondContact O-CD 3.35Å; K37-R41 WeakPolarHBondContact O-CG 3.38Å; K37-R41 PolarHBondContact O-N 2.96Å; E38-R41 WeakPolarHBondContact O-CA 3.36Å; E38-R41 WeakPolarHBondContact O-CB 3.32Å; E38-R41 PolarHBondContact O-N 3.09Å; L39-R41 VanDerWaalsContact C-N 3.32Å; L39-R41 PolarHBondContact O-N 2.88Å; R41-L44 PolarHBondContact O-N 3.41Å; R41-A45 WeakPolarHBondContact O-CB 3.37Å; R41-A45 PolarHBondContact O-N 3.36Å
42D96.3Very high96.1Very high97 Ų97104.5 Ų104.552%0.51951%0.507SS..Hα-helixtrans-65.8-44178-68.5-18.4000111.4E38 L39 L44 A45 L46E38-D42 PolarHBondContact O-N 2.87Å; L39-D42 PolarHBondContact O-N 2.85Å; D42-L44 VanDerWaalsContact C-N 3.33Å; D42-L44 PolarHBondContact O-N 3.41Å; D42-A45 WeakPolarHBondContact O-CB 3.5Å; D42-A45 PolarHBondContact O-N 2.93Å; D42-A45 VanDerWaalsContact O-N 3.14Å; D42-L46 WeakPolarHBondContact O-CG 3.38Å; D42-L46 PolarHBondContact O-N 2.85Å
43H96.6Very high96.3Very high109 Ų109107.9 Ų107.951%0.50551%0.512SS..Hα-helixtrans-59.8-40.7173.3-73.7172.4000112.7L39 R47L39-H43 WeakPolarHBondContact O-CB 3.34Å; L39-H43 PolarHBondContact O-N 3.43Å; H43-R47 WeakPolarHBondContact O-CG 3.44Å; H43-R47 PolarHBondContact O-N 3.31Å
44L96.9Very high96.5Very high97 Ų97106.5 Ų106.551%0.50851%0.509SS..Hα-helixtrans-66.7-37.4174.6-76171.5000112.1L40 R41 D42 R48L40-L44 WeakPolarHBondContact O-CB 3.46Å; L40-L44 VanDerWaalsContact O-CG 3.28Å; L40-L44 WeakPolarHBondContact O-CG 3.33Å; L40-L44 PolarHBondContact O-N 2.95Å; R41-L44 PolarHBondContact O-N 3.41Å; D42-L44 VanDerWaalsContact C-N 3.33Å; D42-L44 PolarHBondContact O-N 3.41Å; L44-R48 WeakPolarHBondContact O-CB 3.33Å; L44-R48 VanDerWaalsContact O-CG 3.23Å; L44-R48 WeakPolarHBondContact O-CG 3.36Å; L44-R48 PolarHBondContact O-N 2.97Å
45A96.6Very high96.6Very high42 Ų42110.6 Ų110.635%0.34752%0.523SS..Hα-helixtrans-63.9-48.2175.700000111.1R41 D42 R47 R48 D49R41-A45 WeakPolarHBondContact O-CB 3.37Å; R41-A45 PolarHBondContact O-N 3.36Å; D42-A45 WeakPolarHBondContact O-CB 3.5Å; D42-A45 PolarHBondContact O-N 2.93Å; D42-A45 VanDerWaalsContact O-N 3.14Å; A45-R47 PolarHBondContact O-N 3.36Å; A45-R48 WeakPolarHBondContact O-CB 3.2Å; A45-R48 PolarHBondContact O-N 3.44Å; A45-R48 VanDerWaalsContact O-N 3.17Å; A45-D49 PolarHBondContact O-N 2.91Å
46L96.8Very high96.8Very high100 Ų100108.7 Ų108.752%0.52452%0.522SS..Hα-helixtrans-56.6-50.1175.8-73169.7000111.8D42 R48 D49 E50D42-L46 WeakPolarHBondContact O-CG 3.38Å; D42-L46 PolarHBondContact O-N 2.85Å; L46-R48 VanDerWaalsContact C-N 3.29Å; L46-R48 PolarHBondContact O-N 2.93Å; L46-D49 PolarHBondContact O-N 3.37Å; L46-D49 VanDerWaalsContact O-N 3.13Å; L46-E50 WeakPolarHBondContact O-CG 3.34Å; L46-E50 PolarHBondContact O-N 3.49Å
47R97.1Very high96.9Very high187 Ų187106.2 Ų106.271%0.70652%0.517SS*.Hα-helixtrans-61.2-36.1177.9-75.4-166.4-179.9-1712.5113.1H43 A45 A51H43-R47 WeakPolarHBondContact O-CG 3.44Å; H43-R47 PolarHBondContact O-N 3.31Å; A45-R47 PolarHBondContact O-N 3.36Å; R47-A51 WeakPolarHBondContact O-CB 3.41Å; R47-A51 PolarHBondContact O-N 3.35Å
48R97.4Very high97.1Very high164 Ų164106.7 Ų106.762%0.61952%0.519SS*.Hα-helixtrans-67.4-41175.4-75.5169.6179.6174.60.4111.4L44 A45 L46 A51 R52L44-R48 WeakPolarHBondContact O-CB 3.33Å; L44-R48 VanDerWaalsContact O-CG 3.23Å; L44-R48 WeakPolarHBondContact O-CG 3.36Å; L44-R48 PolarHBondContact O-N 2.97Å; A45-R48 WeakPolarHBondContact O-CB 3.2Å; A45-R48 PolarHBondContact O-N 3.44Å; A45-R48 VanDerWaalsContact O-N 3.17Å; L46-R48 VanDerWaalsContact C-N 3.29Å; L46-R48 PolarHBondContact O-N 2.93Å; R48-A51 PolarHBondContact O-N 2.95Å; R48-R52 WeakPolarHBondContact O-CB 3.46Å; R48-R52 WeakPolarHBondContact O-CG 3.3Å; R48-R52 PolarHBondContact O-N 3.29Å
49D97Very high97.2Very high58 Ų58105.4 Ų105.431%0.3152%0.515SS..Hα-helixtrans-65.4-43.9176.1-79.2-30.1000112.4A45 L46 A51 R52 R53A45-D49 PolarHBondContact O-N 2.91Å; L46-D49 PolarHBondContact O-N 3.37Å; L46-D49 VanDerWaalsContact O-N 3.13Å; D49-A51 VanDerWaalsContact C-N 3.35Å; D49-A51 PolarHBondContact O-N 2.91Å; D49-R52 PolarHBondContact O-N 3.33Å; D49-R52 IonicContact OD1-CZ 3.93Å; D49-R52 VanDerWaalsContact OD1-CZ 3.31Å; D49-R52 IonicContact OD1-NE 3.99Å; D49-R52 PolarHBondContact OD1-NE 3.11Å; D49-R52 IonicContact OD1-NH2 2.91Å; D49-R52 PolarHBondContact OD1-NH2 2.99Å; D49-R53 WeakPolarHBondContact O-CB 3.46Å; D49-R53 VanDerWaalsContact O-CG 3.26Å; D49-R53 WeakPolarHBondContact O-CG 3.45Å; D49-R53 PolarHBondContact O-N 3.49Å
50E97.3Very high97.3Very high121 Ų121108.8 Ų108.857%0.56552%0.52SS*.Hα-helixtrans-58.3-46.9172.8-71.9170175.800111.2L46 R52 R53 A54L46-E50 WeakPolarHBondContact O-CG 3.34Å; L46-E50 PolarHBondContact O-N 3.49Å; E50-R52 PolarHBondContact O-N 3.48Å; E50-R53 PolarHBondContact O-N 2.83Å; E50-A54 VanDerWaalsContact O-CB 3.28Å; E50-A54 WeakPolarHBondContact O-CB 3.26Å; E50-A54 PolarHBondContact O-N 2.9Å
51A97.6Very high97.4Very high60 Ų60109.1 Ų109.150%0.49652%0.522SS..Hα-helixtrans-62.2-40.9176.400000112.5R47 R48 D49 K55R47-A51 WeakPolarHBondContact O-CB 3.41Å; R47-A51 PolarHBondContact O-N 3.35Å; R48-A51 PolarHBondContact O-N 2.95Å; D49-A51 VanDerWaalsContact C-N 3.35Å; D49-A51 PolarHBondContact O-N 2.91Å; A51-K55 WeakPolarHBondContact O-CB 3.34Å; A51-K55 PolarHBondContact O-N 3.18Å
52R97.8Very high97.5Very high156 Ų156107.5 Ų107.559%0.58952%0.519SS*.Hα-helixtrans-62.7-46.5174.7-78.5-170-77.6-130.86.4111.7R48 D49 E50 K55 A56R48-R52 WeakPolarHBondContact O-CB 3.46Å; R48-R52 WeakPolarHBondContact O-CG 3.3Å; R48-R52 PolarHBondContact O-N 3.29Å; D49-R52 PolarHBondContact O-N 3.33Å; D49-R52 IonicContact OD1-CZ 3.93Å; D49-R52 VanDerWaalsContact OD1-CZ 3.31Å; D49-R52 IonicContact OD1-NE 3.99Å; D49-R52 PolarHBondContact OD1-NE 3.11Å; D49-R52 IonicContact OD1-NH2 2.91Å; D49-R52 PolarHBondContact OD1-NH2 2.99Å; E50-R52 PolarHBondContact O-N 3.48Å; R52-K55 PolarHBondContact O-N 2.84Å; R52-A56 WeakPolarHBondContact O-CB 3.27Å; R52-A56 PolarHBondContact O-N 3.15Å
53R97.9Very high97.6Very high186 Ų186109.1 Ų109.170%0.70252%0.523SS*.Hα-helixtrans-63.4-43.9178.1-71.8173.6-174.6-172.33.3111.4D49 E50 K55 A56 S57D49-R53 WeakPolarHBondContact O-CB 3.46Å; D49-R53 VanDerWaalsContact O-CG 3.26Å; D49-R53 WeakPolarHBondContact O-CG 3.45Å; D49-R53 PolarHBondContact O-N 3.49Å; E50-R53 PolarHBondContact O-N 2.83Å; R53-K55 VanDerWaalsContact C-N 3.33Å; R53-K55 PolarHBondContact O-N 3.31Å; R53-A56 PolarHBondContact O-N 3.34Å; R53-S57 PolarHBondContact O-N 3.46Å; R53-S57 PolarHBondContact O-OG 3.48Å
54A97.4Very high97.7Very high57 Ų57111.4 Ų111.447%0.47153%0.528SS..Hα-helixtrans-64-37.617600000112.2E50 S57 K58E50-A54 VanDerWaalsContact O-CB 3.28Å; E50-A54 WeakPolarHBondContact O-CB 3.26Å; E50-A54 PolarHBondContact O-N 2.9Å; A54-S57 WeakPolarHBondContact CA-OG 3.33Å; A54-S57 PolarHBondContact O-OG 3.06Å; A54-K58 VanDerWaalsContact O-CB 3.29Å; A54-K58 WeakPolarHBondContact O-CB 3.4Å; A54-K58 PolarHBondContact O-N 3.15Å
55K97.9Very high97.7Very high139 Ų139111.6 Ų111.660%0.60453%0.529SS*.Hα-helixtrans-66.6-47174.2-172.4175.5179.9-177.90111.4A51 R52 R53 S57 K58 D59A51-K55 WeakPolarHBondContact O-CB 3.34Å; A51-K55 PolarHBondContact O-N 3.18Å; R52-K55 PolarHBondContact O-N 2.84Å; R53-K55 VanDerWaalsContact C-N 3.33Å; R53-K55 PolarHBondContact O-N 3.31Å; K55-S57 VanDerWaalsContact C-N 3.33Å; K55-S57 PolarHBondContact O-N 3.29Å; K55-K58 WeakPolarHBondContact O-CB 3.01Å; K55-K58 PolarHBondContact O-N 2.72Å; K55-D59 WeakPolarHBondContact O-CB 3.48Å; K55-D59 VanDerWaalsContact O-CG 3.28Å; K55-D59 PolarHBondContact O-N 3.42Å
56A98.1Very high97.8Very high61 Ų61115.6 Ų115.650%0.50454%0.54SS..Hα-helixtrans-61.2-40.5177.700000112.3R52 R53 D59 R60R52-A56 WeakPolarHBondContact O-CB 3.27Å; R52-A56 PolarHBondContact O-N 3.15Å; R53-A56 PolarHBondContact O-N 3.34Å; A56-D59 PolarHBondContact O-N 2.98Å; A56-R60 WeakPolarHBondContact O-CB 3.32Å; A56-R60 PolarHBondContact O-N 3.04Å
57S97.5Very high97.9Very high63 Ų63119.1 Ų119.144%0.44155%0.546SS..Hα-helixtrans-67.4-41.9176.167.80000112R53 A54 K55 D59 R60 L61R53-S57 PolarHBondContact O-N 3.46Å; R53-S57 PolarHBondContact O-OG 3.48Å; A54-S57 WeakPolarHBondContact CA-OG 3.33Å; A54-S57 PolarHBondContact O-OG 3.06Å; K55-S57 VanDerWaalsContact C-N 3.33Å; K55-S57 PolarHBondContact O-N 3.29Å; S57-D59 PolarHBondContact O-N 3.25Å; S57-R60 PolarHBondContact O-N 2.98Å; S57-L61 WeakPolarHBondContact O-CG 3.49Å; S57-L61 PolarHBondContact O-N 3.04Å
58K98.2Very high98Very high121 Ų121114.2 Ų114.253%0.52654%0.537SS..Hα-helixtrans-58.5-46.8173.1177.4-179.7178.2175.40111.7A54 K55 R60 L61 K62A54-K58 VanDerWaalsContact O-CB 3.29Å; A54-K58 WeakPolarHBondContact O-CB 3.4Å; A54-K58 PolarHBondContact O-N 3.15Å; K55-K58 WeakPolarHBondContact O-CB 3.01Å; K55-K58 PolarHBondContact O-N 2.72Å; K58-R60 VanDerWaalsContact C-N 3.35Å; K58-L61 PolarHBondContact O-N 3.22Å; K58-K62 WeakPolarHBondContact O-CG 3.47Å; K58-K62 PolarHBondContact O-N 2.88Å
59D98.3Very high98Very high60 Ų60111.5 Ų111.532%0.32153%0.531SS..Hα-helixtrans-66.7-38.7-179.1-67.5-23000111.1K55 A56 S57 L61 K62 Q63K55-D59 WeakPolarHBondContact O-CB 3.48Å; K55-D59 VanDerWaalsContact O-CG 3.28Å; K55-D59 PolarHBondContact O-N 3.42Å; A56-D59 PolarHBondContact O-N 2.98Å; S57-D59 PolarHBondContact O-N 3.25Å; D59-L61 PolarHBondContact O-N 3.35Å; D59-K62 PolarHBondContact O-N 3.48Å; D59-Q63 WeakPolarHBondContact O-CG 3.31Å; D59-Q63 PolarHBondContact O-N 2.86Å
60R98.3Very high98.1Very high175 Ų175111.8 Ų111.866%0.6654%0.542SS*.Hα-helixtrans-61.1-41.4171.7-172.5179.6-177.5-1701.2112.3A56 S57 K58 R64A56-R60 WeakPolarHBondContact O-CB 3.32Å; A56-R60 PolarHBondContact O-N 3.04Å; S57-R60 PolarHBondContact O-N 2.98Å; K58-R60 VanDerWaalsContact C-N 3.35Å; R60-R64 WeakPolarHBondContact O-CG 3.25Å; R60-R64 PolarHBondContact O-N 3Å; R60-R64 VanDerWaalsContact O-N 3.12Å
61L98Very high98.1Very high104 Ų104111.7 Ų111.755%0.54554%0.542SS..Hα-helixtrans-66.7-40.9176.8-73.1174000111.8S57 K58 D59 Q63 R64 L65S57-L61 WeakPolarHBondContact O-CG 3.49Å; S57-L61 PolarHBondContact O-N 3.04Å; K58-L61 PolarHBondContact O-N 3.22Å; D59-L61 PolarHBondContact O-N 3.35Å; L61-Q63 PolarHBondContact O-N 3.5Å; L61-R64 PolarHBondContact O-N 3.31Å; L61-L65 WeakPolarHBondContact O-CB 3.45Å; L61-L65 PolarHBondContact O-N 2.85Å
62K98.4Very high98.2Very high101 Ų101113 Ų11344%0.43954%0.539SS..Hα-helixtrans-59.6-45.6174.7-74.6174.9173.1-178.40112.2K58 D59 R64 L65 Q66K58-K62 WeakPolarHBondContact O-CG 3.47Å; K58-K62 PolarHBondContact O-N 2.88Å; D59-K62 PolarHBondContact O-N 3.48Å; K62-R64 VanDerWaalsContact C-N 3.3Å; K62-R64 PolarHBondContact O-N 3.26Å; K62-L65 PolarHBondContact O-N 2.84Å; K62-Q66 WeakPolarHBondContact O-CG 3.46Å; K62-Q66 PolarHBondContact O-N 2.94Å
63Q98.3Very high98.2Very high130 Ų130110 Ų11061%0.60753%0.532SS*.Hα-helixtrans-60.8-40.9176.7-72.2173-2.300111.8D59 L61 R67D59-Q63 WeakPolarHBondContact O-CG 3.31Å; D59-Q63 PolarHBondContact O-N 2.86Å; L61-Q63 PolarHBondContact O-N 3.5Å; Q63-R67 PolarHBondContact O-N 3.02Å; Q63-R67 VanDerWaalsContact O-N 3.08Å
64R98.4Very high98.2Very high158 Ų158102.2 Ų102.260%0.59651%0.51SS*.Hα-helixtrans-65.3-42.5175.7-72.517868.3-1671.4112R60 L61 K62 R67 V68R60-R64 WeakPolarHBondContact O-CG 3.25Å; R60-R64 PolarHBondContact O-N 3Å; R60-R64 VanDerWaalsContact O-N 3.12Å; L61-R64 PolarHBondContact O-N 3.31Å; K62-R64 VanDerWaalsContact C-N 3.3Å; K62-R64 PolarHBondContact O-N 3.26Å; R64-R67 PolarHBondContact O-N 2.89Å; R64-V68 WeakPolarHBondContact O-CG2 3.35Å; R64-V68 PolarHBondContact O-N 3.5Å
65L98.3Very high98.3Very high101 Ų101102.2 Ų102.253%0.52951%0.51SS..Hα-helixtrans-60.8-49.3177.8-176.366.3000110.8L61 K62 R67 V68 E69L61-L65 WeakPolarHBondContact O-CB 3.45Å; L61-L65 PolarHBondContact O-N 2.85Å; K62-L65 PolarHBondContact O-N 2.84Å; L65-R67 VanDerWaalsContact C-N 3.29Å; L65-R67 PolarHBondContact O-N 3.22Å; L65-V68 PolarHBondContact O-N 3.43Å; L65-V68 VanDerWaalsContact O-N 3.16Å; L65-E69 HydrophobicContact CG-CG 4.43Å; L65-E69 WeakPolarHBondContact O-CB 3.49Å; L65-E69 WeakPolarHBondContact O-CG 3.4Å; L65-E69 PolarHBondContact O-N 3.21Å
66Q98.6Very high98.3Very high125 Ų125102 Ų10258%0.58451%0.506SS*.Hα-helixtrans-58.5-39.9177.4-73.3173.9-20.500112.6K62 A70K62-Q66 WeakPolarHBondContact O-CG 3.46Å; K62-Q66 PolarHBondContact O-N 2.94Å; Q66-A70 WeakPolarHBondContact O-CB 3.42Å; Q66-A70 PolarHBondContact O-N 2.88Å
67R98.6Very high98.3Very high174 Ų174102.1 Ų102.166%0.65750%0.502SS*.Hα-helixtrans-62-49.5175.6-177.3-174.3-66-166.1-4.5111.4Q63 R64 L65 E69 A70 E71Q63-R67 PolarHBondContact O-N 3.02Å; Q63-R67 VanDerWaalsContact O-N 3.08Å; R64-R67 PolarHBondContact O-N 2.89Å; L65-R67 VanDerWaalsContact C-N 3.29Å; L65-R67 PolarHBondContact O-N 3.22Å; R67-E69 VanDerWaalsContact C-N 3.32Å; R67-E69 PolarHBondContact O-N 2.89Å; R67-A70 PolarHBondContact O-N 3.46Å; R67-E71 WeakPolarHBondContact CD-OE1 3.41Å; R67-E71 HydrophobicContact CG-CG 4.5Å; R67-E71 VanDerWaalsContact CG-OE1 3.28Å; R67-E71 WeakPolarHBondContact CG-OE1 3.42Å; R67-E71 WeakPolarHBondContact O-CG 3.28Å; R67-E71 PolarHBondContact O-N 2.82Å
68V98.3Very high98.4Very high85 Ų85105.1 Ų105.152%0.51551%0.51SS..Hα-helixtrans-65.3-37.7-179.31730000111.3R64 L65 A70 E71 L72R64-V68 WeakPolarHBondContact O-CG2 3.35Å; R64-V68 PolarHBondContact O-N 3.5Å; L65-V68 PolarHBondContact O-N 3.43Å; L65-V68 VanDerWaalsContact O-N 3.16Å; V68-A70 VanDerWaalsContact C-N 3.35Å; V68-E71 PolarHBondContact O-N 3.37Å; V68-L72 VanDerWaalsContact O-CB 3.29Å; V68-L72 WeakPolarHBondContact O-CB 3.36Å; V68-L72 PolarHBondContact O-N 3.3Å
69E98.5Very high98.4Very high106 Ų106101.1 Ų101.150%0.49550%0.503SS..Hα-helixtrans-61.1-43.5173.9-73.9170.1168.200111.5L65 R67 L72 E73L65-E69 HydrophobicContact CG-CG 4.43Å; L65-E69 WeakPolarHBondContact O-CB 3.49Å; L65-E69 WeakPolarHBondContact O-CG 3.4Å; L65-E69 PolarHBondContact O-N 3.21Å; R67-E69 VanDerWaalsContact C-N 3.32Å; R67-E69 PolarHBondContact O-N 2.89Å; E69-L72 PolarHBondContact O-N 3.18Å; E69-E73 PolarHBondContact O-N 2.98Å
70A98.4Very high98.4Very high65 Ų65104.9 Ų104.954%0.53752%0.516SS..Hα-helixtrans-65.7-43.1176.200000112.4Q66 R67 V68 L72 E73 G74Q66-A70 WeakPolarHBondContact O-CB 3.42Å; Q66-A70 PolarHBondContact O-N 2.88Å; R67-A70 PolarHBondContact O-N 3.46Å; V68-A70 VanDerWaalsContact C-N 3.35Å; A70-L72 VanDerWaalsContact C-N 3.35Å; A70-E73 PolarHBondContact O-N 3.49Å; A70-G74 PolarHBondContact O-N 3.41Å
71E98.4Very high98.4Very high119 Ų11999.5 Ų99.556%0.55651%0.509SS*.Hα-helixtrans-61.6-42.7175.3-72.9169.1-170.400111.5R67 V68 G74 A75R67-E71 WeakPolarHBondContact CD-OE1 3.41Å; R67-E71 HydrophobicContact CG-CG 4.5Å; R67-E71 VanDerWaalsContact CG-OE1 3.28Å; R67-E71 WeakPolarHBondContact CG-OE1 3.42Å; R67-E71 WeakPolarHBondContact O-CG 3.28Å; R67-E71 PolarHBondContact O-N 2.82Å; V68-E71 PolarHBondContact O-N 3.37Å; E71-G74 PolarHBondContact O-N 3.43Å; E71-A75 PolarHBondContact O-N 3.42Å
72L98.4Very high98.4Very high86 Ų8699.7 Ų99.745%0.4551%0.509SS..Hα-helixtrans-64.4-43.4177.5176.261.7000111.9V68 E69 A70 G74 A75 R76V68-L72 VanDerWaalsContact O-CB 3.29Å; V68-L72 WeakPolarHBondContact O-CB 3.36Å; V68-L72 PolarHBondContact O-N 3.3Å; E69-L72 PolarHBondContact O-N 3.18Å; A70-L72 VanDerWaalsContact C-N 3.35Å; L72-G74 VanDerWaalsContact C-N 3.33Å; L72-A75 PolarHBondContact O-N 3.34Å; L72-R76 HydrophobicContact CD1-CG 4.44Å; L72-R76 WeakPolarHBondContact O-CB 3.48Å; L72-R76 VanDerWaalsContact O-CG 3.27Å; L72-R76 WeakPolarHBondContact O-CG 3.46Å; L72-R76 PolarHBondContact O-N 2.96Å
73E98.4Very high98.4Very high94 Ų94103 Ų10344%0.43952%0.521SS..Hα-helixtrans-67.8-36.9177.2-164.257.3-147.700111.4E69 A70 R76 S77E69-E73 PolarHBondContact O-N 2.98Å; A70-E73 PolarHBondContact O-N 3.49Å; E73-R76 PolarHBondContact O-N 3.48Å; E73-R76 IonicContact OE2-NH1 3.21Å; E73-S77 WeakPolarHBondContact O-CB 3.47Å; E73-S77 PolarHBondContact O-N 2.96Å; E73-S77 PolarHBondContact O-OG 3.25Å
74G98.5Very high98.5Very high23 Ų2398.9 Ų98.924%0.23751%0.509CS..Hα-helixtrans-55.1-56.817000000111.5A70 E71 L72 R76 S77 E78A70-G74 PolarHBondContact O-N 3.41Å; E71-G74 PolarHBondContact O-N 3.43Å; L72-G74 VanDerWaalsContact C-N 3.33Å; G74-R76 VanDerWaalsContact C-N 3.29Å; G74-R76 PolarHBondContact O-N 3.1Å; G74-S77 PolarHBondContact O-N 3.37Å; G74-S77 PolarHBondContact O-OG 2.91Å; G74-E78 WeakPolarHBondContact O-CG 3.5Å; G74-E78 PolarHBondContact O-N 2.95Å
75A98.3Very high98.5Very high57 Ų5795.3 Ų95.347%0.47150%0.499SS..Hα-helixtrans-59-37.3178.900000113E71 L72 G79E71-A75 PolarHBondContact O-N 3.42Å; L72-A75 PolarHBondContact O-N 3.34Å; A75-G79 PolarHBondContact O-N 3Å
76R98.6Very high98.5Very high134 Ų13495.7 Ų95.751%0.50650%0.499SS..Hα-helixtrans-65.5-41.7174.3-75.4170.5174.5-179.1-1112.1L72 E73 G74 G79 K80L72-R76 HydrophobicContact CD1-CG 4.44Å; L72-R76 WeakPolarHBondContact O-CB 3.48Å; L72-R76 VanDerWaalsContact O-CG 3.27Å; L72-R76 WeakPolarHBondContact O-CG 3.46Å; L72-R76 PolarHBondContact O-N 2.96Å; E73-R76 PolarHBondContact O-N 3.48Å; E73-R76 IonicContact OE2-NH1 3.21Å; G74-R76 VanDerWaalsContact C-N 3.29Å; G74-R76 PolarHBondContact O-N 3.1Å; R76-G79 PolarHBondContact O-N 2.98Å; R76-K80 VanDerWaalsContact O-CG 3.29Å; R76-K80 WeakPolarHBondContact O-CG 3.45Å; R76-K80 PolarHBondContact O-N 2.83Å
77S98.3Very high98.5Very high63 Ų6391.5 Ų91.544%0.44148%0.484SS..Hα-helixtrans-66.9-40.9178.675.20000111.6E73 G74 K80 A81E73-S77 WeakPolarHBondContact O-CB 3.47Å; E73-S77 PolarHBondContact O-N 2.96Å; E73-S77 PolarHBondContact O-OG 3.25Å; G74-S77 PolarHBondContact O-N 3.37Å; G74-S77 PolarHBondContact O-OG 2.91Å; S77-K80 PolarHBondContact O-N 3.35Å; S77-A81 WeakPolarHBondContact O-CB 3.46Å; S77-A81 PolarHBondContact O-N 3.3Å
78E98.5Very high98.5Very high126 Ų12691.3 Ų91.359%0.58948%0.483SS*.Hα-helixtrans-62.6-47.2174-71171.9-172.900111.1G74 K80 A81 I82G74-E78 WeakPolarHBondContact O-CG 3.5Å; G74-E78 PolarHBondContact O-N 2.95Å; E78-K80 VanDerWaalsContact C-N 3.31Å; E78-K80 PolarHBondContact O-N 2.87Å; E78-A81 WeakPolarHBondContact O-CB 3.29Å; E78-A81 PolarHBondContact O-N 3.24Å; E78-A81 VanDerWaalsContact O-N 3.11Å; E78-I82 VanDerWaalsContact O-CG1 3.3Å; E78-I82 WeakPolarHBondContact O-CG1 3.45Å; E78-I82 PolarHBondContact O-N 3.47Å
79G98.4Very high98.5Very high37 Ų3792.7 Ų92.738%0.38148%0.484SS..Hα-helixtrans-58.2-41.9175.800000112.8A75 R76 Y83A75-G79 PolarHBondContact O-N 3Å; R76-G79 PolarHBondContact O-N 2.98Å; G79-Y83 WeakPolarHBondContact O-CB 3.36Å; G79-Y83 PolarHBondContact O-N 3.48Å
80K98.6Very high98.5Very high140 Ų14091 Ų9161%0.60948%0.483SS*.Hα-helixtrans-63.7-41.9174.1-72170.3-175172.40112R76 S77 E78 Y83 A84R76-K80 VanDerWaalsContact O-CG 3.29Å; R76-K80 WeakPolarHBondContact O-CG 3.45Å; R76-K80 PolarHBondContact O-N 2.83Å; S77-K80 PolarHBondContact O-N 3.35Å; E78-K80 VanDerWaalsContact C-N 3.31Å; E78-K80 PolarHBondContact O-N 2.87Å; K80-Y83 PolarHBondContact O-N 3.45Å; K80-A84 WeakPolarHBondContact O-CB 3.46Å; K80-A84 PolarHBondContact O-N 2.88Å
81A98.6Very high98.5Very high61 Ų6193.5 Ų93.550%0.50448%0.483SS..Hα-helixtrans-64.9-44.6178.700000111.7S77 E78 A84 E85S77-A81 WeakPolarHBondContact O-CB 3.46Å; S77-A81 PolarHBondContact O-N 3.3Å; E78-A81 WeakPolarHBondContact O-CB 3.29Å; E78-A81 PolarHBondContact O-N 3.24Å; E78-A81 VanDerWaalsContact O-N 3.11Å; A81-A84 PolarHBondContact O-N 2.86Å; A81-E85 WeakPolarHBondContact O-CB 3.24Å; A81-E85 PolarHBondContact O-N 2.92Å
82I98.4Very high98.5Very high108 Ų10890.1 Ų90.155%0.55448%0.476SS*.Hα-helixtrans-60.8-47.1176.1-67165.4000110.3E78 A84 E85 M86E78-I82 VanDerWaalsContact O-CG1 3.3Å; E78-I82 WeakPolarHBondContact O-CG1 3.45Å; E78-I82 PolarHBondContact O-N 3.47Å; I82-A84 VanDerWaalsContact C-N 3.34Å; I82-A84 PolarHBondContact O-N 3.19Å; I82-E85 PolarHBondContact O-N 3.44Å; I82-M86 WeakPolarHBondContact O-CB 3.32Å; I82-M86 PolarHBondContact O-N 3.05Å
83Y98.5Very high98.5Very high172 Ų17291 Ų9168%0.67548%0.48SS*.Hα-helixtrans-63-41.1179.1-173.1-91.5000112.1G79 K80 S87G79-Y83 WeakPolarHBondContact O-CB 3.36Å; G79-Y83 PolarHBondContact O-N 3.48Å; K80-Y83 PolarHBondContact O-N 3.45Å; Y83-S87 WeakPolarHBondContact CE1-OG 3.39Å; Y83-S87 WeakPolarHBondContact O-CB 3.44Å; Y83-S87 PolarHBondContact O-N 3.39Å; Y83-S87 PolarHBondContact O-OG 2.71Å
84A98.6Very high98.5Very high43 Ų4391.8 Ų91.836%0.35548%0.484SS..Hα-helixtrans-62.8-42.5176.500000111.8K80 A81 I82 S87 R88K80-A84 WeakPolarHBondContact O-CB 3.46Å; K80-A84 PolarHBondContact O-N 2.88Å; A81-A84 PolarHBondContact O-N 2.86Å; I82-A84 VanDerWaalsContact C-N 3.34Å; I82-A84 PolarHBondContact O-N 3.19Å; A84-S87 PolarHBondContact O-N 2.95Å; A84-R88 WeakPolarHBondContact O-CG 3.34Å; A84-R88 PolarHBondContact O-N 3.31Å
85E98.6Very high98.5Very high83 Ų8396.7 Ų96.739%0.38850%0.501SS..Hα-helixtrans-67.7-45.1177.9-175.154.5-150.300111.9A81 I82 S87 R88 Q89A81-E85 WeakPolarHBondContact O-CB 3.24Å; A81-E85 PolarHBondContact O-N 2.92Å; I82-E85 PolarHBondContact O-N 3.44Å; E85-S87 VanDerWaalsContact C-N 3.29Å; E85-S87 PolarHBondContact O-N 3.32Å; E85-R88 WeakPolarHBondContact O-CB 3.48Å; E85-R88 PolarHBondContact O-N 3.47Å; E85-R88 IonicContact OE2-NH1 3.6Å; E85-Q89 WeakPolarHBondContact O-CG 3.34Å; E85-Q89 PolarHBondContact O-N 3.17Å; E85-Q89 PolarHBondContact OE1-NE2 3.49Å
86M98.4Very high98.5Very high108 Ų10898 Ų9853%0.53250%0.5SS..Hα-helixtrans-56-44.7171.8-85.5-16158.300112I82 R88 Q89 C90I82-M86 WeakPolarHBondContact O-CB 3.32Å; I82-M86 PolarHBondContact O-N 3.05Å; M86-R88 VanDerWaalsContact C-N 3.32Å; M86-R88 PolarHBondContact O-N 3.42Å; M86-Q89 PolarHBondContact O-N 2.95Å; M86-C90 WeakPolarHBondContact O-CB 3.36Å; M86-C90 PolarHBondContact O-N 2.99Å; M86-C90 PolarHBondContact O-SG 2.99Å; M86-C90 VanDerWaalsContact O-SG 3.32Å
87S98.4Very high98.5Very high38 Ų3896.8 Ų96.827%0.26650%0.501SS..Hα-helixtrans-59.9-45.2178.3-58.10000110.9Y83 A84 E85 C90 H91Y83-S87 WeakPolarHBondContact CE1-OG 3.39Å; Y83-S87 WeakPolarHBondContact O-CB 3.44Å; Y83-S87 PolarHBondContact O-N 3.39Å; Y83-S87 PolarHBondContact O-OG 2.71Å; A84-S87 PolarHBondContact O-N 2.95Å; E85-S87 VanDerWaalsContact C-N 3.29Å; E85-S87 PolarHBondContact O-N 3.32Å; S87-C90 PolarHBondContact O-N 3.39Å; S87-H91 PolarHBondContact O-N 2.95Å; S87-H91 PolarHBondContact O-ND1 3.47Å
88R98.7Very high98.5Very high170 Ų17098.2 Ų98.264%0.64250%0.501SS*.Hα-helixtrans-60-46.6176.2-73.2172.7179.6174.5-1.4111.9A84 E85 M86 C90 H91 A92A84-R88 WeakPolarHBondContact O-CG 3.34Å; A84-R88 PolarHBondContact O-N 3.31Å; E85-R88 WeakPolarHBondContact O-CB 3.48Å; E85-R88 PolarHBondContact O-N 3.47Å; E85-R88 IonicContact OE2-NH1 3.6Å; M86-R88 VanDerWaalsContact C-N 3.32Å; M86-R88 PolarHBondContact O-N 3.42Å; R88-C90 PolarHBondContact O-N 2.94Å; R88-H91 PolarHBondContact O-N 2.92Å; R88-A92 WeakPolarHBondContact O-CB 3.31Å; R88-A92 PolarHBondContact O-N 3.18Å
89Q98.6Very high98.5Very high113 Ų11394.5 Ų94.553%0.52849%0.489SS..Hα-helixtrans-63.7-40.9179.7-70.6176.37.300112.1E85 M86 H91 A92 L93E85-Q89 WeakPolarHBondContact O-CG 3.34Å; E85-Q89 PolarHBondContact O-N 3.17Å; E85-Q89 PolarHBondContact OE1-NE2 3.49Å; M86-Q89 PolarHBondContact O-N 2.95Å; Q89-H91 VanDerWaalsContact C-N 3.33Å; Q89-H91 PolarHBondContact O-N 3.36Å; Q89-A92 PolarHBondContact O-N 3.3Å; Q89-L93 WeakPolarHBondContact O-CB 3.28Å; Q89-L93 PolarHBondContact O-N 2.89Å
90C98.3Very high98.6Very high72 Ų7299.7 Ų99.749%0.48650%0.497SS..Hα-helixtrans-60.8-42.6173.8-71.70000111.8M86 S87 R88 Q94M86-C90 WeakPolarHBondContact O-CB 3.36Å; M86-C90 PolarHBondContact O-N 2.99Å; M86-C90 PolarHBondContact O-SG 2.99Å; M86-C90 VanDerWaalsContact O-SG 3.32Å; S87-C90 PolarHBondContact O-N 3.39Å; R88-C90 PolarHBondContact O-N 2.94Å; C90-Q94 VanDerWaalsContact O-CB 3.3Å; C90-Q94 WeakPolarHBondContact O-CB 3.39Å; C90-Q94 PolarHBondContact O-N 3.14Å
91H98.7Very high98.6Very high117 Ų11795.7 Ų95.754%0.54249%0.487SS..Hα-helixtrans-66.5-46.3177.9-73.857.8000111.3S87 R88 Q89 L93 Q94 E95S87-H91 PolarHBondContact O-N 2.95Å; S87-H91 PolarHBondContact O-ND1 3.47Å; R88-H91 PolarHBondContact O-N 2.92Å; Q89-H91 VanDerWaalsContact C-N 3.33Å; Q89-H91 PolarHBondContact O-N 3.36Å; H91-L93 PolarHBondContact O-N 3.14Å; H91-Q94 WeakPolarHBondContact O-CB 3.2Å; H91-Q94 PolarHBondContact O-N 3.32Å; H91-Q94 VanDerWaalsContact O-N 3.13Å; H91-E95 WeakPolarHBondContact O-CG 3.45Å; H91-E95 PolarHBondContact O-N 3.37Å
92A98.6Very high98.6Very high48 Ų4898.6 Ų98.640%0.39749%0.488SS..Hα-helixtrans-58.7-46.3177.400000111.7R88 Q89 Q94 E95 D96R88-A92 WeakPolarHBondContact O-CB 3.31Å; R88-A92 PolarHBondContact O-N 3.18Å; Q89-A92 PolarHBondContact O-N 3.3Å; A92-Q94 VanDerWaalsContact C-N 3.3Å; A92-Q94 PolarHBondContact O-N 3.04Å; A92-E95 PolarHBondContact O-N 3.44Å; A92-D96 WeakPolarHBondContact O-CB 3.49Å; A92-D96 PolarHBondContact O-N 3.36Å
93L98.5Very high98.6Very high104 Ų10498.6 Ų98.655%0.54549%0.486SS..Hα-helixtrans-62.9-38.4176.5-177.164.1000111.9Q89 H91 D96 M97Q89-L93 WeakPolarHBondContact O-CB 3.28Å; Q89-L93 PolarHBondContact O-N 2.89Å; H91-L93 PolarHBondContact O-N 3.14Å; L93-D96 PolarHBondContact O-N 3.1Å; L93-M97 HydrophobicContact CD1-CE 4.22Å; L93-M97 HydrophobicContact CD1-CG 4.48Å; L93-M97 WeakPolarHBondContact O-CB 3.43Å; L93-M97 VanDerWaalsContact O-CG 3.23Å; L93-M97 WeakPolarHBondContact O-CG 3.47Å; L93-M97 PolarHBondContact O-N 2.96Å
94Q98.6Very high98.6Very high111 Ų11195.3 Ų95.352%0.51948%0.479SS..Hα-helixtrans-65.4-43.6177.4-178.9175.4-15.700111.6C90 H91 A92 M97 Q98C90-Q94 VanDerWaalsContact O-CB 3.3Å; C90-Q94 WeakPolarHBondContact O-CB 3.39Å; C90-Q94 PolarHBondContact O-N 3.14Å; H91-Q94 WeakPolarHBondContact O-CB 3.2Å; H91-Q94 PolarHBondContact O-N 3.32Å; H91-Q94 VanDerWaalsContact O-N 3.13Å; A92-Q94 VanDerWaalsContact C-N 3.3Å; A92-Q94 PolarHBondContact O-N 3.04Å; Q94-M97 PolarHBondContact O-N 3.2Å; Q94-Q98 WeakPolarHBondContact O-CB 3.37Å; Q94-Q98 VanDerWaalsContact O-CG 3.24Å; Q94-Q98 WeakPolarHBondContact O-CG 3.5Å; Q94-Q98 PolarHBondContact O-N 3.43Å
95E98.6Very high98.6Very high126 Ų12697.9 Ų97.959%0.58948%0.484SS*.Hα-helixtrans-64.3-42.4175.8-71.1177.817200111.7H91 A92 M97 Q98 S99H91-E95 WeakPolarHBondContact O-CG 3.45Å; H91-E95 PolarHBondContact O-N 3.37Å; A92-E95 PolarHBondContact O-N 3.44Å; E95-M97 PolarHBondContact O-N 3.44Å; E95-Q98 PolarHBondContact O-N 2.88Å; E95-S99 WeakPolarHBondContact O-CB 3.33Å; E95-S99 PolarHBondContact O-N 3.26Å; E95-S99 PolarHBondContact O-OG 2.92Å
96D98.7Very high98.6Very high84 Ų84100.3 Ų100.345%0.44950%0.495SS..Hα-helixtrans-60.1-45.6174.5-80.9-5.2000111.6A92 L93 S99 R100A92-D96 WeakPolarHBondContact O-CB 3.49Å; A92-D96 PolarHBondContact O-N 3.36Å; L93-D96 PolarHBondContact O-N 3.1Å; D96-S99 PolarHBondContact O-N 3.48Å; D96-S99 PolarHBondContact O-OG 2.92Å; D96-R100 WeakPolarHBondContact O-CB 3.46Å; D96-R100 VanDerWaalsContact O-CG 3.3Å; D96-R100 WeakPolarHBondContact O-CG 3.45Å; D96-R100 PolarHBondContact O-N 2.9Å
97M98.4Very high98.6Very high109 Ų109100.9 Ų100.954%0.53750%0.496SS..Hα-helixtrans-65.4-40.1177.2-71.9-64.5-169.500111.9L93 Q94 E95 R100 S101L93-M97 HydrophobicContact CD1-CE 4.22Å; L93-M97 HydrophobicContact CD1-CG 4.48Å; L93-M97 WeakPolarHBondContact O-CB 3.43Å; L93-M97 VanDerWaalsContact O-CG 3.23Å; L93-M97 WeakPolarHBondContact O-CG 3.47Å; L93-M97 PolarHBondContact O-N 2.96Å; Q94-M97 PolarHBondContact O-N 3.2Å; E95-M97 PolarHBondContact O-N 3.44Å; M97-R100 PolarHBondContact O-N 2.93Å; M97-S101 WeakPolarHBondContact O-CB 3.41Å; M97-S101 PolarHBondContact O-N 2.94Å
98Q98.7Very high98.6Very high92 Ų92102.8 Ų102.843%0.4351%0.506SS..Hα-helixtrans-66-41.3176.8-74.8176.64.100112.2Q94 E95 S101 K102Q94-Q98 WeakPolarHBondContact O-CB 3.37Å; Q94-Q98 VanDerWaalsContact O-CG 3.24Å; Q94-Q98 WeakPolarHBondContact O-CG 3.5Å; Q94-Q98 PolarHBondContact O-N 3.43Å; E95-Q98 PolarHBondContact O-N 2.88Å; Q98-S101 PolarHBondContact O-N 3.13Å; Q98-K102 VanDerWaalsContact O-CG 3.31Å; Q98-K102 WeakPolarHBondContact O-CG 3.34Å; Q98-K102 PolarHBondContact O-N 3.33Å
99S98.5Very high98.6Very high49 Ų49101.5 Ų101.534%0.34351%0.505SS..Hα-helixtrans-65-43.8177.264.50000111.3E95 D96 K102 Q103E95-S99 WeakPolarHBondContact O-CB 3.33Å; E95-S99 PolarHBondContact O-N 3.26Å; E95-S99 PolarHBondContact O-OG 2.92Å; D96-S99 PolarHBondContact O-N 3.48Å; D96-S99 PolarHBondContact O-OG 2.92Å; S99-K102 PolarHBondContact O-N 3.45Å; S99-Q103 VanDerWaalsContact O-CG 3.31Å; S99-Q103 WeakPolarHBondContact O-CG 3.42Å; S99-Q103 PolarHBondContact O-N 2.89Å
100R98.8Very high98.6Very high145 Ų14597.9 Ų97.955%0.54750%0.498SS..Hα-helixtrans-62-42.3174-71.7176.4-174.6-172.93.6112.6D96 M97 K102 Q103 L104D96-R100 WeakPolarHBondContact O-CB 3.46Å; D96-R100 VanDerWaalsContact O-CG 3.3Å; D96-R100 WeakPolarHBondContact O-CG 3.45Å; D96-R100 PolarHBondContact O-N 2.9Å; M97-R100 PolarHBondContact O-N 2.93Å; R100-K102 VanDerWaalsContact C-N 3.34Å; R100-K102 PolarHBondContact O-N 3.46Å; R100-Q103 PolarHBondContact O-N 3.29Å; R100-L104 WeakPolarHBondContact O-CB 3.37Å; R100-L104 WeakPolarHBondContact O-CG 3.27Å; R100-L104 PolarHBondContact O-N 2.83Å
101S98.6Very high98.6Very high56 Ų5699.5 Ų99.539%0.39250%0.502SS..Hα-helixtrans-59.1-47.2175.8-166.40000111M97 Q98 Q103 L104 E105M97-S101 WeakPolarHBondContact O-CB 3.41Å; M97-S101 PolarHBondContact O-N 2.94Å; Q98-S101 PolarHBondContact O-N 3.13Å; S101-Q103 PolarHBondContact O-N 2.87Å; S101-L104 PolarHBondContact O-N 2.96Å; S101-E105 WeakPolarHBondContact O-CB 3.31Å; S101-E105 VanDerWaalsContact O-CG 3.29Å; S101-E105 WeakPolarHBondContact O-CG 3.38Å; S101-E105 PolarHBondContact O-N 3.36Å; S101-E105 PolarHBondContact OG-OE1 2.92Å; S101-E105 VanDerWaalsContact OG-OE1 3.13Å
102K98.7Very high98.6Very high123 Ų123101.2 Ų101.254%0.53550%0.503SS..Hα-helixtrans-61.3-45.3177.9-71.5171.7-176.8176.50112.2Q98 S99 R100 L104 E105 E106Q98-K102 VanDerWaalsContact O-CG 3.31Å; Q98-K102 WeakPolarHBondContact O-CG 3.34Å; Q98-K102 PolarHBondContact O-N 3.33Å; S99-K102 PolarHBondContact O-N 3.45Å; R100-K102 VanDerWaalsContact C-N 3.34Å; R100-K102 PolarHBondContact O-N 3.46Å; K102-L104 PolarHBondContact O-N 3.49Å; K102-E105 PolarHBondContact O-N 3.36Å; K102-E106 WeakPolarHBondContact O-CG 3.46Å; K102-E106 PolarHBondContact O-N 3.35Å
103Q98.8Very high98.6Very high108 Ų108100.8 Ų100.851%0.50550%0.504SS..Hα-helixtrans-58.3-48.4176.7-74.3169.8-10.400111.4S99 R100 S101 E105 E106 E107S99-Q103 VanDerWaalsContact O-CG 3.31Å; S99-Q103 WeakPolarHBondContact O-CG 3.42Å; S99-Q103 PolarHBondContact O-N 2.89Å; R100-Q103 PolarHBondContact O-N 3.29Å; S101-Q103 PolarHBondContact O-N 2.87Å; Q103-E105 VanDerWaalsContact C-N 3.35Å; Q103-E105 PolarHBondContact O-N 3.38Å; Q103-E106 PolarHBondContact O-N 2.84Å; Q103-E107 WeakPolarHBondContact O-CG 3.3Å; Q103-E107 PolarHBondContact O-N 2.98Å
104L98.8Very high98.7Very high103 Ų103102.1 Ų102.154%0.53951%0.507SS..Hα-helixtrans-63.8-39.5177.9-71.8171.7000112.2R100 S101 K102 E106 E107 V108R100-L104 WeakPolarHBondContact O-CB 3.37Å; R100-L104 WeakPolarHBondContact O-CG 3.27Å; R100-L104 PolarHBondContact O-N 2.83Å; S101-L104 PolarHBondContact O-N 2.96Å; K102-L104 PolarHBondContact O-N 3.49Å; L104-E106 VanDerWaalsContact C-N 3.34Å; L104-E106 PolarHBondContact O-N 2.91Å; L104-E107 PolarHBondContact O-N 3.25Å; L104-V108 WeakPolarHBondContact O-CB 3.46Å; L104-V108 VanDerWaalsContact O-CG2 3.22Å; L104-V108 WeakPolarHBondContact O-CG2 3.43Å; L104-V108 PolarHBondContact O-N 3.01Å
105E98.8Very high98.7Very high96 Ų96100.7 Ų100.745%0.44950%0.503SS..Hα-helixtrans-62.9-39.7175.1-75.5169.6-146.900112.3S101 K102 Q103 K109S101-E105 WeakPolarHBondContact O-CB 3.31Å; S101-E105 VanDerWaalsContact O-CG 3.29Å; S101-E105 WeakPolarHBondContact O-CG 3.38Å; S101-E105 PolarHBondContact O-N 3.36Å; S101-E105 PolarHBondContact OG-OE1 2.92Å; S101-E105 VanDerWaalsContact OG-OE1 3.13Å; K102-E105 PolarHBondContact O-N 3.36Å; Q103-E105 VanDerWaalsContact C-N 3.35Å; Q103-E105 PolarHBondContact O-N 3.38Å; E105-K109 WeakPolarHBondContact O-CB 3.47Å; E105-K109 WeakPolarHBondContact O-CD 3.49Å; E105-K109 VanDerWaalsContact O-CG 3.23Å; E105-K109 WeakPolarHBondContact O-CG 3.36Å; E105-K109 PolarHBondContact O-N 2.87Å
106E98.7Very high98.7Very high135 Ų13598.6 Ų98.663%0.63149%0.493SS*.Hα-helixtrans-67.3-43.8175.3-73.4173.9-179.900111.7K102 Q103 L104 K109 G110K102-E106 WeakPolarHBondContact O-CG 3.46Å; K102-E106 PolarHBondContact O-N 3.35Å; Q103-E106 PolarHBondContact O-N 2.84Å; L104-E106 VanDerWaalsContact C-N 3.34Å; L104-E106 PolarHBondContact O-N 2.91Å; E106-K109 PolarHBondContact O-N 3.19Å; E106-G110 PolarHBondContact O-N 3.46Å
107E98.8Very high98.6Very high119 Ų11996.4 Ų96.456%0.55649%0.486SS*.Hα-helixtrans-60.7-46.3174.7-74.9178-171.900111.6Q103 L104 K109 G110 L111Q103-E107 WeakPolarHBondContact O-CG 3.3Å; Q103-E107 PolarHBondContact O-N 2.98Å; L104-E107 PolarHBondContact O-N 3.25Å; E107-K109 PolarHBondContact O-N 3.42Å; E107-G110 PolarHBondContact O-N 3.24Å; E107-L111 WeakPolarHBondContact O-CB 3.45Å; E107-L111 WeakPolarHBondContact O-CG 3.39Å; E107-L111 PolarHBondContact O-N 3.45Å
108V98.8Very high98.6Very high78 Ų7894.8 Ų94.847%0.47349%0.485SS..Hα-helixtrans-59.5-47.3176.7168.10000110.2L104 G110 L111 W112L104-V108 WeakPolarHBondContact O-CB 3.46Å; L104-V108 VanDerWaalsContact O-CG2 3.22Å; L104-V108 WeakPolarHBondContact O-CG2 3.43Å; L104-V108 PolarHBondContact O-N 3.01Å; V108-G110 VanDerWaalsContact C-N 3.32Å; V108-G110 PolarHBondContact O-N 2.98Å; V108-L111 PolarHBondContact O-N 3.5Å; V108-W112 WeakPolarHBondContact O-CB 3.45Å; V108-W112 VanDerWaalsContact O-CD1 3.23Å; V108-W112 PolarHBondContact O-N 3.24Å
109K98.6Very high98.6Very high144 Ų14495.8 Ų95.863%0.62649%0.49SS*.Hα-helixtrans-60.6-41.7176.2-73.8168.3-173.8167.30112E105 E106 E107 W112 G113E105-K109 WeakPolarHBondContact O-CB 3.47Å; E105-K109 WeakPolarHBondContact O-CD 3.49Å; E105-K109 VanDerWaalsContact O-CG 3.23Å; E105-K109 WeakPolarHBondContact O-CG 3.36Å; E105-K109 PolarHBondContact O-N 2.87Å; E106-K109 PolarHBondContact O-N 3.19Å; E107-K109 PolarHBondContact O-N 3.42Å; K109-W112 PolarHBondContact O-N 3.45Å; K109-G113 PolarHBondContact O-N 3.33Å
110G98.6Very high98.6Very high36 Ų36100.8 Ų100.837%0.37150%0.501SS..Hα-helixtrans-62.1-4817700000112.5E106 E107 V108 W112 G113 Q114E106-G110 PolarHBondContact O-N 3.46Å; E107-G110 PolarHBondContact O-N 3.24Å; V108-G110 VanDerWaalsContact C-N 3.32Å; V108-G110 PolarHBondContact O-N 2.98Å; G110-W112 PolarHBondContact O-N 2.85Å; G110-G113 PolarHBondContact O-N 2.92Å; G110-Q114 WeakPolarHBondContact O-CG 3.29Å; G110-Q114 PolarHBondContact O-N 3.02Å
111L98.6Very high98.6Very high107 Ų107100.4 Ų100.456%0.5651%0.505SS*.Hα-helixtrans-63.9-39.7177.3-70.9174.3000112.1E107 V108 Q114 L115E107-L111 WeakPolarHBondContact O-CB 3.45Å; E107-L111 WeakPolarHBondContact O-CG 3.39Å; E107-L111 PolarHBondContact O-N 3.45Å; V108-L111 PolarHBondContact O-N 3.5Å; L111-Q114 PolarHBondContact O-N 3.43Å; L111-L115 WeakPolarHBondContact O-CB 3.22Å; L111-L115 PolarHBondContact O-N 2.9Å
112W98.6Very high98.6Very high153 Ų15399.9 Ų99.958%0.5850%0.504SS*.Hα-helixtrans-60.8-45.7173-92.698.1000111.8V108 K109 G110 Q114 L115 E116V108-W112 WeakPolarHBondContact O-CB 3.45Å; V108-W112 VanDerWaalsContact O-CD1 3.23Å; V108-W112 PolarHBondContact O-N 3.24Å; K109-W112 PolarHBondContact O-N 3.45Å; G110-W112 PolarHBondContact O-N 2.85Å; W112-Q114 VanDerWaalsContact C-N 3.33Å; W112-Q114 PolarHBondContact O-N 2.98Å; W112-L115 PolarHBondContact O-N 2.85Å; W112-E116 WeakPolarHBondContact O-CG 3.23Å; W112-E116 PolarHBondContact O-N 3Å
113G98.6Very high98.6Very high39 Ų3996.2 Ų96.240%0.40250%0.497SS..Hα-helixtrans-59.2-42.5175.300000112.9K109 G110 E116 A117K109-G113 PolarHBondContact O-N 3.33Å; G110-G113 PolarHBondContact O-N 2.92Å; G113-E116 PolarHBondContact O-N 2.91Å; G113-A117 WeakPolarHBondContact O-CB 3.23Å; G113-A117 PolarHBondContact O-N 3.36Å
114Q98.6Very high98.6Very high132 Ų13293.1 Ų93.162%0.61749%0.49SS*.Hα-helixtrans-65.1-41.9175.9-70.8174.511.300112.3G110 L111 W112 A117 C118G110-Q114 WeakPolarHBondContact O-CG 3.29Å; G110-Q114 PolarHBondContact O-N 3.02Å; L111-Q114 PolarHBondContact O-N 3.43Å; W112-Q114 VanDerWaalsContact C-N 3.33Å; W112-Q114 PolarHBondContact O-N 2.98Å; Q114-A117 PolarHBondContact O-N 2.79Å; Q114-C118 VanDerWaalsContact O-CB 3.31Å; Q114-C118 WeakPolarHBondContact O-CB 3.44Å; Q114-C118 PolarHBondContact O-N 2.96Å
115L98.7Very high98.6Very high81 Ų8190.8 Ų90.842%0.42449%0.485SS..Hα-helixtrans-61.8-46.1177.7178.861.9000111L111 W112 C118 Q119L111-L115 WeakPolarHBondContact O-CB 3.22Å; L111-L115 PolarHBondContact O-N 2.9Å; W112-L115 PolarHBondContact O-N 2.85Å; L115-C118 PolarHBondContact O-N 3.49Å; L115-Q119 HydrophobicContact CD1-CG 4.44Å; L115-Q119 WeakPolarHBondContact O-CB 3.46Å; L115-Q119 VanDerWaalsContact O-CG 3.27Å; L115-Q119 WeakPolarHBondContact O-CG 3.49Å; L115-Q119 PolarHBondContact O-N 3.43Å
116E98.6Very high98.6Very high81 Ų8195 Ų9538%0.37950%0.497SS..Hα-helixtrans-64.5-40.9177.2-69.2-174.6-178.400112.4W112 G113 Q119 R120W112-E116 WeakPolarHBondContact O-CG 3.23Å; W112-E116 PolarHBondContact O-N 3Å; G113-E116 PolarHBondContact O-N 2.91Å; E116-Q119 PolarHBondContact O-N 3.49Å; E116-R120 WeakPolarHBondContact O-CG 3.44Å; E116-R120 PolarHBondContact O-N 2.95Å; E116-R120 IonicContact OE2-CZ 3.81Å; E116-R120 IonicContact OE2-NH1 2.83Å; E116-R120 IonicContact OE2-NH2 2.63Å; E116-R120 PolarHBondContact OE2-NH2 3.42Å
117A98.6Very high98.6Very high38 Ų3894.9 Ų94.931%0.31450%0.497SS..Hα-helixtrans-60.5-49.6175.900000111.1G113 Q114 Q119 R120 E121G113-A117 WeakPolarHBondContact O-CB 3.23Å; G113-A117 PolarHBondContact O-N 3.36Å; Q114-A117 PolarHBondContact O-N 2.79Å; A117-Q119 VanDerWaalsContact C-N 3.3Å; A117-Q119 PolarHBondContact O-N 3.34Å; A117-R120 PolarHBondContact O-N 3.48Å; A117-R120 VanDerWaalsContact O-N 3.13Å; A117-E121 WeakPolarHBondContact O-CG 3.47Å; A117-E121 PolarHBondContact O-N 3.3Å
118C98.3Very high98.6Very high75 Ų7595.9 Ų95.951%0.50750%0.501SS..Hα-helixtrans-59.3-40.1176.7-178.90000112.1Q114 L115 E121 A122Q114-C118 VanDerWaalsContact O-CB 3.31Å; Q114-C118 WeakPolarHBondContact O-CB 3.44Å; Q114-C118 PolarHBondContact O-N 2.96Å; L115-C118 PolarHBondContact O-N 3.49Å; C118-E121 PolarHBondContact O-N 3.41Å; C118-A122 VanDerWaalsContact O-CB 3.28Å; C118-A122 WeakPolarHBondContact O-CB 3.24Å; C118-A122 PolarHBondContact O-N 3.49Å
119Q98.6Very high98.6Very high114 Ų11495.1 Ų95.153%0.53350%0.503SS..Hα-helixtrans-64.2-42.1175.4-76.4176.913.500112.5L115 E116 A117 A122 A123L115-Q119 HydrophobicContact CD1-CG 4.44Å; L115-Q119 WeakPolarHBondContact O-CB 3.46Å; L115-Q119 VanDerWaalsContact O-CG 3.27Å; L115-Q119 WeakPolarHBondContact O-CG 3.49Å; L115-Q119 PolarHBondContact O-N 3.43Å; E116-Q119 PolarHBondContact O-N 3.49Å; A117-Q119 VanDerWaalsContact C-N 3.3Å; A117-Q119 PolarHBondContact O-N 3.34Å; Q119-A122 PolarHBondContact O-N 3.02Å; Q119-A123 WeakPolarHBondContact O-CB 3.44Å; Q119-A123 PolarHBondContact O-N 3.25Å
120R98.6Very high98.6Very high154 Ų15493 Ų9358%0.58150%0.495SS*.Hα-helixtrans-63.8-45176.6-71178.9-165.9102.14.1111.3E116 A117 A123 A124E116-R120 WeakPolarHBondContact O-CG 3.44Å; E116-R120 PolarHBondContact O-N 2.95Å; E116-R120 IonicContact OE2-CZ 3.81Å; E116-R120 IonicContact OE2-NH1 2.83Å; E116-R120 IonicContact OE2-NH2 2.63Å; E116-R120 PolarHBondContact OE2-NH2 3.42Å; A117-R120 PolarHBondContact O-N 3.48Å; A117-R120 VanDerWaalsContact O-N 3.13Å; R120-A123 PolarHBondContact O-N 2.92Å; R120-A124 WeakPolarHBondContact O-CB 3.39Å; R120-A124 PolarHBondContact O-N 3.42Å
121E98.6Very high98.6Very high137 Ų13795.4 Ų95.464%0.6450%0.497SS*.Hα-helixtrans-61.7-44.8176.5-71.7172.1-172.600111.6A117 C118 A123 A124 A125A117-E121 WeakPolarHBondContact O-CG 3.47Å; A117-E121 PolarHBondContact O-N 3.3Å; C118-E121 PolarHBondContact O-N 3.41Å; E121-A123 VanDerWaalsContact C-N 3.33Å; E121-A123 PolarHBondContact O-N 2.94Å; E121-A124 PolarHBondContact O-N 3.28Å; E121-A125 WeakPolarHBondContact O-CB 3.43Å; E121-A125 PolarHBondContact O-N 2.89Å
122A98.3Very high98.5Very high44 Ų4492.5 Ų92.536%0.36449%0.488SS..Hα-helixtrans-64.4-3717700000112.4C118 Q119 R126C118-A122 VanDerWaalsContact O-CB 3.28Å; C118-A122 WeakPolarHBondContact O-CB 3.24Å; C118-A122 PolarHBondContact O-N 3.49Å; Q119-A122 PolarHBondContact O-N 3.02Å; A122-R126 WeakPolarHBondContact O-CB 3.43Å; A122-R126 WeakPolarHBondContact O-CG 3.3Å; A122-R126 PolarHBondContact O-N 3.4Å; A122-R126 VanDerWaalsContact O-N 3.1Å
123A98.6Very high98.5Very high46 Ų4690.2 Ų90.238%0.3849%0.487SS..Hα-helixtrans-65.8-48.8174.800000111.2Q119 R120 E121 A125 R126 E127Q119-A123 WeakPolarHBondContact O-CB 3.44Å; Q119-A123 PolarHBondContact O-N 3.25Å; R120-A123 PolarHBondContact O-N 2.92Å; E121-A123 VanDerWaalsContact C-N 3.33Å; E121-A123 PolarHBondContact O-N 2.94Å; A123-A125 PolarHBondContact O-N 2.94Å; A123-R126 WeakPolarHBondContact O-CB 3.31Å; A123-R126 PolarHBondContact O-N 3.5Å; A123-R126 VanDerWaalsContact O-N 3.14Å; A123-E127 WeakPolarHBondContact O-CG 3.45Å; A123-E127 PolarHBondContact O-N 3.13Å
124A98.5Very high98.5Very high43 Ų4393.9 Ų93.936%0.35549%0.489SS..Hα-helixtrans-58.7-46.3177.300000111.8R120 E121 R126 E127 E128R120-A124 WeakPolarHBondContact O-CB 3.39Å; R120-A124 PolarHBondContact O-N 3.42Å; E121-A124 PolarHBondContact O-N 3.28Å; A124-R126 VanDerWaalsContact C-N 3.28Å; A124-R126 PolarHBondContact O-N 3.5Å; A124-E127 PolarHBondContact O-N 2.91Å; A124-E128 WeakPolarHBondContact O-CG 3.47Å; A124-E128 PolarHBondContact O-N 2.84Å
125A98.4Very high98.5Very high55 Ų5592.7 Ų92.746%0.45548%0.483SS..Hα-helixtrans-61.8-35177.500000112.8E121 A123 A129E121-A125 WeakPolarHBondContact O-CB 3.43Å; E121-A125 PolarHBondContact O-N 2.89Å; A123-A125 PolarHBondContact O-N 2.94Å; A125-A129 WeakPolarHBondContact O-CB 3.42Å; A125-A129 PolarHBondContact O-N 3.49Å
126R98.6Very high98.5Very high184 Ų18497.2 Ų97.269%0.69449%0.494SS*.Hα-helixtrans-68.1-45.9174.4-75.2170.9-175.8-154.42.5111.4A122 A123 A124 E128 A129 E130A122-R126 WeakPolarHBondContact O-CB 3.43Å; A122-R126 WeakPolarHBondContact O-CG 3.3Å; A122-R126 PolarHBondContact O-N 3.4Å; A122-R126 VanDerWaalsContact O-N 3.1Å; A123-R126 WeakPolarHBondContact O-CB 3.31Å; A123-R126 PolarHBondContact O-N 3.5Å; A123-R126 VanDerWaalsContact O-N 3.14Å; A124-R126 VanDerWaalsContact C-N 3.28Å; A124-R126 PolarHBondContact O-N 3.5Å; R126-E128 VanDerWaalsContact C-N 3.34Å; R126-E128 PolarHBondContact O-N 3.29Å; R126-A129 PolarHBondContact O-N 2.98Å; R126-E130 WeakPolarHBondContact O-CG 3.35Å; R126-E130 PolarHBondContact O-N 2.92Å
127E98.6Very high98.5Very high133 Ų13397.1 Ų97.162%0.62150%0.497SS*.Hα-helixtrans-60.5-44.5177.9-72.2179.2177.400111.6A123 A124 E130 Q131A123-E127 WeakPolarHBondContact O-CG 3.45Å; A123-E127 PolarHBondContact O-N 3.13Å; A124-E127 PolarHBondContact O-N 2.91Å; E127-E130 PolarHBondContact O-N 2.9Å; E127-Q131 WeakPolarHBondContact O-CB 3.35Å; E127-Q131 PolarHBondContact O-N 3.31Å
128E98.7Very high98.5Very high140 Ų140100.9 Ų100.965%0.65451%0.508SS*.Hα-helixtrans-60.4-45.2174.9-73.4176.8-174.200111.9A124 R126 Q131 A132A124-E128 WeakPolarHBondContact O-CG 3.47Å; A124-E128 PolarHBondContact O-N 2.84Å; R126-E128 VanDerWaalsContact C-N 3.34Å; R126-E128 PolarHBondContact O-N 3.29Å; E128-Q131 PolarHBondContact O-N 2.9Å; E128-A132 WeakPolarHBondContact O-CB 3.45Å; E128-A132 PolarHBondContact O-N 2.93Å
129A98.4Very high98.5Very high61 Ų6199.3 Ų99.350%0.50450%0.5SS..Hα-helixtrans-64.4-41.8178.100000112.3A125 R126 Q131 A132 L133A125-A129 WeakPolarHBondContact O-CB 3.42Å; A125-A129 PolarHBondContact O-N 3.49Å; R126-A129 PolarHBondContact O-N 2.98Å; A129-Q131 VanDerWaalsContact C-N 3.34Å; A129-A132 PolarHBondContact O-N 3.35Å; A129-L133 WeakPolarHBondContact O-CB 3.47Å; A129-L133 PolarHBondContact O-N 3.17Å
130E98.6Very high98.6Very high99 Ų9997.5 Ų97.546%0.46349%0.494SS..Hα-helixtrans-63.1-41.5174.7-75.7-177.4-167.700111.8R126 E127 L133 R134R126-E130 WeakPolarHBondContact O-CG 3.35Å; R126-E130 PolarHBondContact O-N 2.92Å; E127-E130 PolarHBondContact O-N 2.9Å; E130-L133 WeakPolarHBondContact O-CB 3.49Å; E130-L133 PolarHBondContact O-N 3.26Å; E130-R134 WeakPolarHBondContact O-CG 3.3Å; E130-R134 PolarHBondContact O-N 3.43Å; E130-R134 IonicContact OE2-CZ 3.84Å; E130-R134 IonicContact OE2-NH1 2.89Å; E130-R134 IonicContact OE2-NH2 3.72Å; E130-R134 PolarHBondContact OE2-NH2 3.4Å
131Q98.6Very high98.5Very high87 Ų8793.1 Ų93.141%0.40749%0.487SS..Hα-helixtrans-64.4-45.8178-176.358.420.700111.3E127 E128 A129 L133 R134 E135E127-Q131 WeakPolarHBondContact O-CB 3.35Å; E127-Q131 PolarHBondContact O-N 3.31Å; E128-Q131 PolarHBondContact O-N 2.9Å; A129-Q131 VanDerWaalsContact C-N 3.34Å; Q131-L133 VanDerWaalsContact C-N 3.28Å; Q131-L133 PolarHBondContact O-N 2.97Å; Q131-R134 PolarHBondContact O-N 3.47Å; Q131-E135 PolarHBondContact NE2-OE1 2.75Å; Q131-E135 VanDerWaalsContact NE2-OE1 3.14Å; Q131-E135 WeakPolarHBondContact O-CG 3.5Å; Q131-E135 PolarHBondContact O-N 3.48Å
132A98.3Very high98.5Very high46 Ų4692.9 Ų92.938%0.3849%0.486SS..Hα-helixtrans-60.1-38.7174.500000112E128 A129 E135 R136E128-A132 WeakPolarHBondContact O-CB 3.45Å; E128-A132 PolarHBondContact O-N 2.93Å; A129-A132 PolarHBondContact O-N 3.35Å; A132-E135 PolarHBondContact O-N 3.38Å; A132-R136 VanDerWaalsContact O-CG 3.29Å; A132-R136 WeakPolarHBondContact O-CG 3.47Å; A132-R136 PolarHBondContact O-N 3.03Å
133L98.6Very high98.6Very high106 Ų10696.1 Ų96.156%0.55550%0.496SS*.Hα-helixtrans-62.2-48174.7-166.795.1000111.2A129 E130 Q131 E135 R136 D137A129-L133 WeakPolarHBondContact O-CB 3.47Å; A129-L133 PolarHBondContact O-N 3.17Å; E130-L133 WeakPolarHBondContact O-CB 3.49Å; E130-L133 PolarHBondContact O-N 3.26Å; Q131-L133 VanDerWaalsContact C-N 3.28Å; Q131-L133 PolarHBondContact O-N 2.97Å; L133-E135 VanDerWaalsContact C-N 3.32Å; L133-E135 PolarHBondContact O-N 2.87Å; L133-R136 PolarHBondContact O-N 2.86Å; L133-D137 PolarHBondContact O-N 3.36Å
134R98.6Very high98.5Very high116 Ų116102.4 Ų102.444%0.43851%0.51SS..Hα-helixtrans-58-44.3178.2-71.5174.9-169114.210.3111.7E130 Q131 D137 Q138E130-R134 WeakPolarHBondContact O-CG 3.3Å; E130-R134 PolarHBondContact O-N 3.43Å; E130-R134 IonicContact OE2-CZ 3.84Å; E130-R134 IonicContact OE2-NH1 2.89Å; E130-R134 IonicContact OE2-NH2 3.72Å; E130-R134 PolarHBondContact OE2-NH2 3.4Å; Q131-R134 PolarHBondContact O-N 3.47Å; R134-D137 PolarHBondContact O-N 3.11Å; R134-Q138 WeakPolarHBondContact O-CB 3.48Å; R134-Q138 VanDerWaalsContact O-CG 3.24Å; R134-Q138 WeakPolarHBondContact O-CG 3.36Å; R134-Q138 PolarHBondContact O-N 3.13Å
135E98.7Very high98.6Very high106 Ų106104.3 Ų104.350%0.49552%0.517SS..Hα-helixtrans-62.4-42.8177.6-72.4171.7-167.900111.8Q131 A132 L133 Q138 A139Q131-E135 PolarHBondContact NE2-OE1 2.75Å; Q131-E135 VanDerWaalsContact NE2-OE1 3.14Å; Q131-E135 WeakPolarHBondContact O-CG 3.5Å; Q131-E135 PolarHBondContact O-N 3.48Å; A132-E135 PolarHBondContact O-N 3.38Å; L133-E135 VanDerWaalsContact C-N 3.32Å; L133-E135 PolarHBondContact O-N 2.87Å; E135-Q138 PolarHBondContact O-N 3.2Å; E135-A139 WeakPolarHBondContact O-CB 3.43Å; E135-A139 PolarHBondContact O-N 3.01Å
136R98.5Very high98.6Very high176 Ų176107 Ų10766%0.66452%0.52SS*.Hα-helixtrans-64.2-42.9175.6-71.6-175.272.388.17112.3A132 L133 Q138 A139 L140A132-R136 VanDerWaalsContact O-CG 3.29Å; A132-R136 WeakPolarHBondContact O-CG 3.47Å; A132-R136 PolarHBondContact O-N 3.03Å; L133-R136 PolarHBondContact O-N 2.86Å; R136-Q138 VanDerWaalsContact C-N 3.33Å; R136-A139 PolarHBondContact O-N 2.95Å; R136-L140 WeakPolarHBondContact O-CB 3.39Å; R136-L140 WeakPolarHBondContact O-CG 3.41Å; R136-L140 PolarHBondContact O-N 3.32Å
137D98.7Very high98.6Very high80 Ų80101.6 Ų101.643%0.42851%0.508SS..Hα-helixtrans-65.5-37.8178.7-75.5-22.1000111.7L133 R134 L140 S141L133-D137 PolarHBondContact O-N 3.36Å; R134-D137 PolarHBondContact O-N 3.11Å; D137-L140 PolarHBondContact O-N 2.99Å; D137-S141 WeakPolarHBondContact O-CB 3.28Å; D137-S141 PolarHBondContact O-N 3.45Å; D137-S141 PolarHBondContact O-OG 2.87Å
138Q98.6Very high98.6Very high116 Ų11697.6 Ų97.654%0.54250%0.497SS..Hα-helixtrans-62.6-48.4172.4-72.8171.220.100111.3R134 E135 R136 L140 S141 Q142R134-Q138 WeakPolarHBondContact O-CB 3.48Å; R134-Q138 VanDerWaalsContact O-CG 3.24Å; R134-Q138 WeakPolarHBondContact O-CG 3.36Å; R134-Q138 PolarHBondContact O-N 3.13Å; E135-Q138 PolarHBondContact O-N 3.2Å; R136-Q138 VanDerWaalsContact C-N 3.33Å; Q138-L140 VanDerWaalsContact C-N 3.35Å; Q138-L140 PolarHBondContact O-N 3.46Å; Q138-S141 WeakPolarHBondContact O-CB 3.38Å; Q138-S141 PolarHBondContact O-N 3.38Å; Q138-Q142 WeakPolarHBondContact O-CG 3.43Å; Q138-Q142 PolarHBondContact O-N 2.93Å
139A98.4Very high98.5Very high43 Ų4395.4 Ų95.436%0.35549%0.49SS..Hα-helixtrans-61.7-41.7177.600000112.2E135 R136 S141 Q142 L143E135-A139 WeakPolarHBondContact O-CB 3.43Å; E135-A139 PolarHBondContact O-N 3.01Å; R136-A139 PolarHBondContact O-N 2.95Å; A139-S141 VanDerWaalsContact C-N 3.33Å; A139-S141 PolarHBondContact O-N 2.9Å; A139-Q142 PolarHBondContact O-N 2.95Å; A139-L143 WeakPolarHBondContact O-CG 3.45Å; A139-L143 PolarHBondContact O-N 3.35Å
140L98.7Very high98.6Very high76 Ų7695.2 Ų95.240%0.39848%0.479SS..Hα-helixtrans-62.2-40.6174.6-77.8172.8000111.9R136 D137 Q138 L143 R144R136-L140 WeakPolarHBondContact O-CB 3.39Å; R136-L140 WeakPolarHBondContact O-CG 3.41Å; R136-L140 PolarHBondContact O-N 3.32Å; D137-L140 PolarHBondContact O-N 2.99Å; Q138-L140 VanDerWaalsContact C-N 3.35Å; Q138-L140 PolarHBondContact O-N 3.46Å; L140-L143 PolarHBondContact O-N 3.29Å; L140-R144 WeakPolarHBondContact O-CB 3.29Å; L140-R144 VanDerWaalsContact O-CG 3.28Å; L140-R144 WeakPolarHBondContact O-CG 3.27Å; L140-R144 PolarHBondContact O-N 2.9Å
141S98.4Very high98.5Very high62 Ų6296.2 Ų96.243%0.43448%0.484SS..Hα-helixtrans-64.7-44.9177.8-58.10000111.3D137 Q138 A139 L143 R144 T145D137-S141 WeakPolarHBondContact O-CB 3.28Å; D137-S141 PolarHBondContact O-N 3.45Å; D137-S141 PolarHBondContact O-OG 2.87Å; Q138-S141 WeakPolarHBondContact O-CB 3.38Å; Q138-S141 PolarHBondContact O-N 3.38Å; A139-S141 VanDerWaalsContact C-N 3.33Å; A139-S141 PolarHBondContact O-N 2.9Å; S141-L143 PolarHBondContact O-N 3.43Å; S141-R144 PolarHBondContact O-N 2.91Å; S141-T145 WeakPolarHBondContact O-CG2 3.48Å; S141-T145 PolarHBondContact O-N 3.44Å; S141-T145 PolarHBondContact O-OG1 3.32Å
142Q98.6Very high98.5Very high131 Ų13194.7 Ų94.761%0.61249%0.487SS*.Hα-helixtrans-61.1-41.9175.8-70.3171.52.900112.5Q138 A139 T145 H146Q138-Q142 WeakPolarHBondContact O-CG 3.43Å; Q138-Q142 PolarHBondContact O-N 2.93Å; A139-Q142 PolarHBondContact O-N 2.95Å; Q142-T145 WeakPolarHBondContact CA-OG1 3.39Å; Q142-T145 PolarHBondContact O-N 2.92Å; Q142-T145 PolarHBondContact O-OG1 2.75Å; Q142-H146 WeakPolarHBondContact O-CB 3.42Å; Q142-H146 PolarHBondContact O-N 3.27Å
143L98.5Very high98.5Very high112 Ų11298.1 Ų98.159%0.58649%0.493SS*.Hα-helixtrans-65.2-42176.1-76.7167.8000111.4A139 L140 S141 H146 V147A139-L143 WeakPolarHBondContact O-CG 3.45Å; A139-L143 PolarHBondContact O-N 3.35Å; L140-L143 PolarHBondContact O-N 3.29Å; S141-L143 PolarHBondContact O-N 3.43Å; L143-H146 PolarHBondContact O-N 2.7Å; L143-V147 WeakPolarHBondContact O-CG2 3.35Å; L143-V147 PolarHBondContact O-N 3.03Å
144R98.5Very high98.5Very high178 Ų17899.9 Ų99.967%0.67249%0.493SS*.Hα-helixtrans-62-44.1176.5-76.2172177.7167.20.7112L140 S141 V147 A148L140-R144 WeakPolarHBondContact O-CB 3.29Å; L140-R144 VanDerWaalsContact O-CG 3.28Å; L140-R144 WeakPolarHBondContact O-CG 3.27Å; L140-R144 PolarHBondContact O-N 2.9Å; S141-R144 PolarHBondContact O-N 2.91Å; R144-V147 PolarHBondContact O-N 3.33Å; R144-A148 WeakPolarHBondContact O-CB 3.29Å; R144-A148 PolarHBondContact O-N 2.93Å
145T98.6Very high98.5Very high83 Ų8399.8 Ų99.851%0.50950%0.498SS..Hα-helixtrans-63.9-43.3176.653.20000111.2S141 Q142 V147 A148 D149S141-T145 WeakPolarHBondContact O-CG2 3.48Å; S141-T145 PolarHBondContact O-N 3.44Å; S141-T145 PolarHBondContact O-OG1 3.32Å; Q142-T145 WeakPolarHBondContact CA-OG1 3.39Å; Q142-T145 PolarHBondContact O-N 2.92Å; Q142-T145 PolarHBondContact O-OG1 2.75Å; T145-V147 VanDerWaalsContact C-N 3.34Å; T145-V147 PolarHBondContact O-N 3.49Å; T145-A148 PolarHBondContact O-N 2.9Å; T145-D149 VanDerWaalsContact O-CG 3.27Å; T145-D149 PolarHBondContact O-N 3.34Å
146H98.5Very high98.5Very high111 Ų111100.5 Ų100.551%0.51450%0.501SS..Hα-helixtrans-61.9-41.6177.1-179.8-83.7000112.2Q142 L143 D149 M150Q142-H146 WeakPolarHBondContact O-CB 3.42Å; Q142-H146 PolarHBondContact O-N 3.27Å; L143-H146 PolarHBondContact O-N 2.7Å; H146-D149 PolarHBondContact O-N 3.03Å; H146-M150 WeakPolarHBondContact O-CB 3.49Å; H146-M150 VanDerWaalsContact O-CG 3.25Å; H146-M150 WeakPolarHBondContact O-CG 3.46Å; H146-M150 PolarHBondContact O-N 3.08Å
147V98.7Very high98.4Very high72 Ų7297.4 Ų97.444%0.43650%0.497SS..Hα-helixtrans-62.1-46.9174.9169.60000110.6L143 R144 T145 D149 M150 E151L143-V147 WeakPolarHBondContact O-CG2 3.35Å; L143-V147 PolarHBondContact O-N 3.03Å; R144-V147 PolarHBondContact O-N 3.33Å; T145-V147 VanDerWaalsContact C-N 3.34Å; T145-V147 PolarHBondContact O-N 3.49Å; V147-D149 VanDerWaalsContact C-N 3.34Å; V147-D149 PolarHBondContact O-N 3.46Å; V147-M150 PolarHBondContact O-N 3.32Å; V147-E151 HydrophobicContact CG1-CG 4.25Å; V147-E151 WeakPolarHBondContact CG1-OE1 3.4Å; V147-E151 WeakPolarHBondContact O-CB 3.4Å; V147-E151 WeakPolarHBondContact O-CG 3.37Å; V147-E151 PolarHBondContact O-N 3.23Å
148A98.6Very high98.4Very high48 Ų4898.7 Ų98.740%0.39750%0.503SS..Hα-helixtrans-60.8-41177.500000112.5R144 T145 M150 E151 A152R144-A148 WeakPolarHBondContact O-CB 3.29Å; R144-A148 PolarHBondContact O-N 2.93Å; T145-A148 PolarHBondContact O-N 2.9Å; A148-M150 VanDerWaalsContact C-N 3.34Å; A148-M150 PolarHBondContact O-N 2.92Å; A148-E151 PolarHBondContact O-N 3.02Å; A148-A152 WeakPolarHBondContact O-CB 3.33Å; A148-A152 PolarHBondContact O-N 3.47Å
149D98.6Very high98.4Very high94 Ų9498.1 Ų98.150%0.50350%0.5SS..Hα-helixtrans-63.8-40175.8-71-18000111.8T145 H146 V147 K153T145-D149 VanDerWaalsContact O-CG 3.27Å; T145-D149 PolarHBondContact O-N 3.34Å; H146-D149 PolarHBondContact O-N 3.03Å; V147-D149 VanDerWaalsContact C-N 3.34Å; V147-D149 PolarHBondContact O-N 3.46Å; D149-K153 VanDerWaalsContact O-CG 3.31Å; D149-K153 WeakPolarHBondContact O-CG 3.41Å; D149-K153 PolarHBondContact O-N 2.97Å; D149-K153 VanDerWaalsContact O-N 3.1Å
150M98.4Very high98.3Very high57 Ų5799.3 Ų99.328%0.28150%0.501SS..Hα-helixtrans-67.9-44176.1-72.2-63.4-64.400111.3H146 V147 A148 A152 K153 Y154H146-M150 WeakPolarHBondContact O-CB 3.49Å; H146-M150 VanDerWaalsContact O-CG 3.25Å; H146-M150 WeakPolarHBondContact O-CG 3.46Å; H146-M150 PolarHBondContact O-N 3.08Å; V147-M150 PolarHBondContact O-N 3.32Å; A148-M150 VanDerWaalsContact C-N 3.34Å; A148-M150 PolarHBondContact O-N 2.92Å; M150-A152 PolarHBondContact O-N 3.4Å; M150-K153 PolarHBondContact O-N 3.4Å; M150-Y154 HydrophobicContact CB-CE2 4.24Å; M150-Y154 HydrophobicContact CE-CE2 3.84Å; M150-Y154 WeakPolarHBondContact CE-OH 3.42Å; M150-Y154 WeakPolarHBondContact O-CD2 3.26Å; M150-Y154 PolarHBondContact O-N 2.87Å
151E98.4Very high98.3Very high120 Ų12098.1 Ų98.156%0.56150%0.499SS*.Hα-helixtrans-57.6-47.4174.6-74.7173.9170.400111.2V147 A148 K153 Y154 E155V147-E151 HydrophobicContact CG1-CG 4.25Å; V147-E151 WeakPolarHBondContact CG1-OE1 3.4Å; V147-E151 WeakPolarHBondContact O-CB 3.4Å; V147-E151 WeakPolarHBondContact O-CG 3.37Å; V147-E151 PolarHBondContact O-N 3.23Å; A148-E151 PolarHBondContact O-N 3.02Å; E151-K153 PolarHBondContact O-N 3.16Å; E151-Y154 PolarHBondContact O-N 3.06Å; E151-E155 WeakPolarHBondContact O-CB 3.49Å; E151-E155 PolarHBondContact O-N 3.12Å
152A98.5Very high98.3Very high56 Ų56100 Ų10046%0.46350%0.503SS..Hα-helixtrans-60.5-42.5177.300000112.5A148 M150 E155 E156A148-A152 WeakPolarHBondContact O-CB 3.33Å; A148-A152 PolarHBondContact O-N 3.47Å; M150-A152 PolarHBondContact O-N 3.4Å; A152-E155 PolarHBondContact O-N 3.02Å; A152-E156 WeakPolarHBondContact O-CB 3.49Å; A152-E156 PolarHBondContact O-N 3.49Å
153K98.3Very high98.2Very high118 Ų11898.5 Ų98.551%0.51350%0.499SS..Hα-helixtrans-64.4-41175.4-73.8171.5-173.8170.50112.3D149 M150 E151 E155 E156 I157D149-K153 VanDerWaalsContact O-CG 3.31Å; D149-K153 WeakPolarHBondContact O-CG 3.41Å; D149-K153 PolarHBondContact O-N 2.97Å; D149-K153 VanDerWaalsContact O-N 3.1Å; M150-K153 PolarHBondContact O-N 3.4Å; E151-K153 PolarHBondContact O-N 3.16Å; K153-E155 VanDerWaalsContact C-N 3.34Å; K153-E156 PolarHBondContact O-N 3.46Å; K153-I157 VanDerWaalsContact O-CG1 3.27Å; K153-I157 WeakPolarHBondContact O-CG1 3.48Å; K153-I157 PolarHBondContact O-N 3.43Å
154Y97.8Very high98.2Very high142 Ų142100.7 Ų100.756%0.55750%0.5SS*.Hα-helixtrans-65-41.2176.3-72.3-52.5000111.3M150 E151 I157 L158M150-Y154 HydrophobicContact CB-CE2 4.24Å; M150-Y154 HydrophobicContact CE-CE2 3.84Å; M150-Y154 WeakPolarHBondContact CE-OH 3.42Å; M150-Y154 WeakPolarHBondContact O-CD2 3.26Å; M150-Y154 PolarHBondContact O-N 2.87Å; E151-Y154 PolarHBondContact O-N 3.06Å; Y154-I157 PolarHBondContact O-N 2.96Å; Y154-L158 WeakPolarHBondContact O-CB 3.48Å; Y154-L158 VanDerWaalsContact O-CG 3.26Å; Y154-L158 WeakPolarHBondContact O-CG 3.29Å; Y154-L158 PolarHBondContact O-N 3.34Å
155E98.2Very high98.1Very high114 Ų11496.9 Ų96.953%0.53349%0.492SS..Hα-helixtrans-63.2-44.7175.5-171.9170.9-170.100111.8E151 A152 K153 L158 Q159E151-E155 WeakPolarHBondContact O-CB 3.49Å; E151-E155 PolarHBondContact O-N 3.12Å; A152-E155 PolarHBondContact O-N 3.02Å; K153-E155 VanDerWaalsContact C-N 3.34Å; E155-L158 PolarHBondContact O-N 2.94Å; E155-Q159 HydrophobicContact CG-CG 4.38Å; E155-Q159 WeakPolarHBondContact O-CB 3.34Å; E155-Q159 VanDerWaalsContact O-CG 3.3Å; E155-Q159 WeakPolarHBondContact O-CG 3.46Å; E155-Q159 PolarHBondContact O-N 3.42Å; E155-Q159 PolarHBondContact OE1-NE2 2.87Å
156E98.3Very high98.1Very high122 Ų12296.6 Ų96.657%0.5749%0.487SS*.Hα-helixtrans-56.6-52.8175-176.5-176.8-172.700111.1A152 K153 L158 Q159 D160A152-E156 WeakPolarHBondContact O-CB 3.49Å; A152-E156 PolarHBondContact O-N 3.49Å; K153-E156 PolarHBondContact O-N 3.46Å; E156-L158 VanDerWaalsContact C-N 3.28Å; E156-L158 PolarHBondContact O-N 3.24Å; E156-Q159 PolarHBondContact O-N 3.24Å; E156-D160 WeakPolarHBondContact O-CB 3.33Å; E156-D160 PolarHBondContact O-N 3.31Å
157I97.9Very high98Very high110 Ų11093.8 Ų93.856%0.56448%0.483SS*.Hα-helixtrans-58.7-41.7179.4-67.6165.6000111.2K153 Y154 S161K153-I157 VanDerWaalsContact O-CG1 3.27Å; K153-I157 WeakPolarHBondContact O-CG1 3.48Å; K153-I157 PolarHBondContact O-N 3.43Å; Y154-I157 PolarHBondContact O-N 2.96Å; I157-S161 WeakPolarHBondContact O-CB 3.23Å; I157-S161 PolarHBondContact O-N 3.42Å; I157-S161 PolarHBondContact O-OG 3.46Å
158L97.9Very high98Very high108 Ų10897 Ų9757%0.56549%0.491SS*.Hα-helixtrans-63.8-49.2177.7-76.6169.4000111.2Y154 E155 E156 D160 S161 L162Y154-L158 WeakPolarHBondContact O-CB 3.48Å; Y154-L158 VanDerWaalsContact O-CG 3.26Å; Y154-L158 WeakPolarHBondContact O-CG 3.29Å; Y154-L158 PolarHBondContact O-N 3.34Å; E155-L158 PolarHBondContact O-N 2.94Å; E156-L158 VanDerWaalsContact C-N 3.28Å; E156-L158 PolarHBondContact O-N 3.24Å; L158-D160 PolarHBondContact O-N 2.87Å; L158-S161 PolarHBondContact O-N 2.93Å; L158-S161 PolarHBondContact O-OG 2.91Å; L158-L162 WeakPolarHBondContact O-CG 3.33Å; L158-L162 PolarHBondContact O-N 3.26Å
159Q98.1Very high97.9Very high103 Ų103100.2 Ų100.248%0.48150%0.501SS..Hα-helixtrans-58.6-48.6177.1-71.8176.44.900111.1E155 E156 S161 L162 D163E155-Q159 HydrophobicContact CG-CG 4.38Å; E155-Q159 WeakPolarHBondContact O-CB 3.34Å; E155-Q159 VanDerWaalsContact O-CG 3.3Å; E155-Q159 WeakPolarHBondContact O-CG 3.46Å; E155-Q159 PolarHBondContact O-N 3.42Å; E155-Q159 PolarHBondContact OE1-NE2 2.87Å; E156-Q159 PolarHBondContact O-N 3.24Å; Q159-S161 VanDerWaalsContact C-N 3.28Å; Q159-S161 PolarHBondContact O-N 3.36Å; Q159-L162 PolarHBondContact O-N 2.88Å; Q159-L162 VanDerWaalsContact O-N 3.15Å; Q159-D163 WeakPolarHBondContact O-CB 3.45Å; Q159-D163 PolarHBondContact O-N 3.21Å
160D97.9Very high97.8Very high69 Ų69103.8 Ų103.837%0.36951%0.508SS..Hα-helixtrans-56-42.5176.9-117.136.6000112.3E156 L158 R164E156-D160 WeakPolarHBondContact O-CB 3.33Å; E156-D160 PolarHBondContact O-N 3.31Å; L158-D160 PolarHBondContact O-N 2.87Å; D160-R164 WeakPolarHBondContact O-CB 3.48Å; D160-R164 WeakPolarHBondContact O-CG 3.37Å; D160-R164 PolarHBondContact O-N 2.91Å; D160-R164 IonicContact OD2-CZ 3.91Å; D160-R164 IonicContact OD2-NE 2.92Å; D160-R164 IonicContact OD2-NH2 3.8Å; D160-R164 PolarHBondContact OD2-NH2 3.3Å
161S97.5Very high97.7Very high50 Ų50103.4 Ų103.435%0.3551%0.513SS..Hα-helixtrans-68.4-41.9179.577.20000111.9I157 L158 Q159 R164 L165I157-S161 WeakPolarHBondContact O-CB 3.23Å; I157-S161 PolarHBondContact O-N 3.42Å; I157-S161 PolarHBondContact O-OG 3.46Å; L158-S161 PolarHBondContact O-N 2.93Å; L158-S161 PolarHBondContact O-OG 2.91Å; Q159-S161 VanDerWaalsContact C-N 3.28Å; Q159-S161 PolarHBondContact O-N 3.36Å; S161-R164 PolarHBondContact O-N 3.5Å; S161-L165 WeakPolarHBondContact O-CG 3.35Å; S161-L165 PolarHBondContact O-N 2.96Å
162L98.1Very high97.6Very high102 Ų102101.8 Ų101.853%0.53451%0.508SS..Hα-helixtrans-66.5-42.8177.3-71.3172.2000110.9L158 Q159 R164 L165 L166L158-L162 WeakPolarHBondContact O-CG 3.33Å; L158-L162 PolarHBondContact O-N 3.26Å; Q159-L162 PolarHBondContact O-N 2.88Å; Q159-L162 VanDerWaalsContact O-N 3.15Å; L162-R164 PolarHBondContact O-N 3.23Å; L162-L165 WeakPolarHBondContact O-CB 3.41Å; L162-L165 PolarHBondContact O-N 2.92Å; L162-L166 WeakPolarHBondContact O-CB 3.48Å; L162-L166 WeakPolarHBondContact O-CG 3.46Å; L162-L166 PolarHBondContact O-N 2.63Å
163D97.9Very high97.5Very high99 Ų99105.7 Ų105.753%0.52951%0.514SS..Hα-helixtrans-63.6-41177-80-20.5000112.1Q159 L165 L166 A167Q159-D163 WeakPolarHBondContact O-CB 3.45Å; Q159-D163 PolarHBondContact O-N 3.21Å; D163-L165 VanDerWaalsContact C-N 3.34Å; D163-L165 PolarHBondContact O-N 3.49Å; D163-L166 PolarHBondContact O-N 3.49Å; D163-A167 WeakPolarHBondContact O-CB 3.28Å; D163-A167 PolarHBondContact O-N 3.35Å
164R97.6Very high97.3Very high159 Ų159104 Ų10460%0.652%0.517SS*.Hα-helixtrans-62-41172.8-73.1171.2-154.2-128.45.8111.9D160 S161 L162 A167 K168D160-R164 WeakPolarHBondContact O-CB 3.48Å; D160-R164 WeakPolarHBondContact O-CG 3.37Å; D160-R164 PolarHBondContact O-N 2.91Å; D160-R164 IonicContact OD2-CZ 3.91Å; D160-R164 IonicContact OD2-NE 2.92Å; D160-R164 IonicContact OD2-NH2 3.8Å; D160-R164 PolarHBondContact OD2-NH2 3.3Å; S161-R164 PolarHBondContact O-N 3.5Å; L162-R164 PolarHBondContact O-N 3.23Å; R164-A167 PolarHBondContact O-N 3.41Å; R164-K168 WeakPolarHBondContact O-CG 3.4Å; R164-K168 PolarHBondContact O-N 2.84Å
165L97.4Very high97.2Very high98 Ų98103.4 Ų103.451%0.51352%0.519SS..Hα-helixtrans-64.5-44.3175.4-74.5170.2000111.4S161 L162 D163 A167 K168 L169S161-L165 WeakPolarHBondContact O-CG 3.35Å; S161-L165 PolarHBondContact O-N 2.96Å; L162-L165 WeakPolarHBondContact O-CB 3.41Å; L162-L165 PolarHBondContact O-N 2.92Å; D163-L165 VanDerWaalsContact C-N 3.34Å; D163-L165 PolarHBondContact O-N 3.49Å; L165-A167 PolarHBondContact O-N 3.26Å; L165-K168 PolarHBondContact O-N 3.33Å; L165-L169 PolarHBondContact O-N 2.94Å
166L97.6Very high97.1Very high77 Ų77106.5 Ų106.540%0.40353%0.526SS..Hα-helixtrans-61.6-42.5175.9-74.5175.2000112L162 D163 L169 R170L162-L166 WeakPolarHBondContact O-CB 3.48Å; L162-L166 WeakPolarHBondContact O-CG 3.46Å; L162-L166 PolarHBondContact O-N 2.63Å; D163-L166 PolarHBondContact O-N 3.49Å; L166-L169 PolarHBondContact O-N 2.88Å; L166-R170 WeakPolarHBondContact O-CG 3.33Å; L166-R170 PolarHBondContact O-N 3.45Å
167A97.3Very high96.9Very high52 Ų52105 Ų10543%0.4352%0.523SS..Hα-helixtrans-62.3-43.5176.400000111.8D163 R164 L165 R170 A171D163-A167 WeakPolarHBondContact O-CB 3.28Å; D163-A167 PolarHBondContact O-N 3.35Å; R164-A167 PolarHBondContact O-N 3.41Å; L165-A167 PolarHBondContact O-N 3.26Å; A167-R170 PolarHBondContact O-N 2.91Å; A167-A171 WeakPolarHBondContact O-CB 3.48Å; A167-A171 PolarHBondContact O-N 2.99Å
168K97.3Very high96.7Very high138 Ų138100.9 Ų100.960%0.651%0.507SS*.Hα-helixtrans-60.4-45.7174.2-74.1176.8-179.1-179.30111.8R164 L165 A171 I172R164-K168 WeakPolarHBondContact O-CG 3.4Å; R164-K168 PolarHBondContact O-N 2.84Å; L165-K168 PolarHBondContact O-N 3.33Å; K168-A171 PolarHBondContact O-N 2.83Å; K168-I172 WeakPolarHBondContact O-CG1 3.16Å; K168-I172 PolarHBondContact O-N 3.13Å
169L96.9Very high96.5Very high116 Ų11698.6 Ų98.661%0.60750%0.497SS*.Hα-helixtrans-59.4-45.8175.9-95155.7000112.1L165 L166 I172 K173L165-L169 PolarHBondContact O-N 2.94Å; L166-L169 PolarHBondContact O-N 2.88Å; L169-I172 PolarHBondContact O-N 3.31Å; L169-K173 WeakPolarHBondContact O-CB 3.44Å; L169-K173 PolarHBondContact O-N 3.31Å
170R96.7Very high96.2Very high170 Ų17096.1 Ų96.164%0.64250%0.495SS*.Hα-helixtrans-62.1-42.9176-72.2176.1-171.4153.44111.7L166 A167 K173 S174L166-R170 WeakPolarHBondContact O-CG 3.33Å; L166-R170 PolarHBondContact O-N 3.45Å; A167-R170 PolarHBondContact O-N 2.91Å; R170-K173 PolarHBondContact O-N 2.89Å; R170-S174 PolarHBondContact O-N 2.94Å; R170-S174 PolarHBondContact O-OG 3.46Å
171A96.5Very high95.9Very high48 Ų48100.2 Ų100.240%0.39751%0.51SS..Hα-helixtrans-62.8-46.117800000112A167 K168 S174 Q175A167-A171 WeakPolarHBondContact O-CB 3.48Å; A167-A171 PolarHBondContact O-N 2.99Å; K168-A171 PolarHBondContact O-N 2.83Å; A171-S174 PolarHBondContact O-N 3.17Å; A171-Q175 WeakPolarHBondContact O-CG 3.43Å; A171-Q175 PolarHBondContact O-N 2.97Å
172I96.5Very high95.7Very high86 Ų86105.3 Ų105.344%0.44152%0.521SS..Hα-helixtrans-60.3-47.3175.5-69.5166.6000109.9K168 L169 S174 Q175 W176K168-I172 WeakPolarHBondContact O-CG1 3.16Å; K168-I172 PolarHBondContact O-N 3.13Å; L169-I172 PolarHBondContact O-N 3.31Å; I172-S174 PolarHBondContact O-N 3.05Å; I172-Q175 WeakPolarHBondContact O-CB 3.28Å; I172-Q175 PolarHBondContact O-N 3.34Å; I172-Q175 VanDerWaalsContact O-N 3.11Å; I172-W176 VanDerWaalsContact CG2-CD1 3.45Å; I172-W176 PolarHBondContact O-N 3.05Å
173K96.1Very high95.5Very high138 Ų138104.6 Ų104.660%0.652%0.517SS*.Hα-helixtrans-55.8-49177.2-176177.8178.6179.80111.8L169 R170 Q175 W176 D177L169-K173 WeakPolarHBondContact O-CB 3.44Å; L169-K173 PolarHBondContact O-N 3.31Å; R170-K173 PolarHBondContact O-N 2.89Å; K173-Q175 VanDerWaalsContact C-N 3.3Å; K173-Q175 PolarHBondContact O-N 2.88Å; K173-W176 PolarHBondContact O-N 2.9Å; K173-D177 PolarHBondContact O-N 2.9Å
174S94.8Very high95.1Very high82 Ų82106.5 Ų106.557%0.57352%0.523SS*.Hα-helixtrans-61.5-36.1177-62.30000113R170 A171 I172 G178R170-S174 PolarHBondContact O-N 2.94Å; R170-S174 PolarHBondContact O-OG 3.46Å; A171-S174 PolarHBondContact O-N 3.17Å; I172-S174 PolarHBondContact O-N 3.05Å; S174-G178 PolarHBondContact O-N 3.4Å
175Q95.2Very high94.7Very high130 Ų130101.1 Ų101.161%0.60751%0.513SS*.Hα-helixtrans-64-46.6173.8-72.5174.41.800111.4A171 I172 K173 G178 T179A171-Q175 WeakPolarHBondContact O-CG 3.43Å; A171-Q175 PolarHBondContact O-N 2.97Å; I172-Q175 WeakPolarHBondContact O-CB 3.28Å; I172-Q175 PolarHBondContact O-N 3.34Å; I172-Q175 VanDerWaalsContact O-N 3.11Å; K173-Q175 VanDerWaalsContact C-N 3.3Å; K173-Q175 PolarHBondContact O-N 2.88Å; Q175-G178 PolarHBondContact O-N 3.14Å; Q175-T179 WeakPolarHBondContact O-CG2 3.49Å; Q175-T179 PolarHBondContact O-N 3.03Å; Q175-T179 PolarHBondContact O-OG1 2.99Å
176W95.4Very high94.4Very high179 Ų179104.6 Ų104.668%0.67852%0.519SS*.Hα-helixtrans-60.3-50.2175.5-80.3103.7000111.7I172 K173 G178 T179 A180I172-W176 VanDerWaalsContact CG2-CD1 3.45Å; I172-W176 PolarHBondContact O-N 3.05Å; K173-W176 PolarHBondContact O-N 2.9Å; W176-G178 VanDerWaalsContact C-N 3.28Å; W176-G178 PolarHBondContact O-N 2.9Å; W176-T179 WeakPolarHBondContact CA-OG1 3.46Å; W176-T179 PolarHBondContact O-N 3.31Å; W176-T179 VanDerWaalsContact O-N 3.09Å; W176-T179 PolarHBondContact O-OG1 3.03Å; W176-A180 WeakPolarHBondContact O-CB 3.29Å; W176-A180 PolarHBondContact O-N 2.93Å
177D95.2Very high93.9Very high92 Ų92105.1 Ų105.149%0.49252%0.519SS..Hα-helixtrans-58.3-42.5178.3-69.5-22.5000111K173 A180 F181K173-D177 PolarHBondContact O-N 2.9Å; D177-A180 PolarHBondContact O-N 3.24Å; D177-F181 WeakPolarHBondContact O-CB 3.38Å; D177-F181 PolarHBondContact O-N 2.93Å
178G93.3Very high93.4Very high23 Ų23108.6 Ų108.624%0.23753%0.525CS..Hα-helixtrans-64.1-41.7174.400000113.5S174 Q175 W176 R182S174-G178 PolarHBondContact O-N 3.4Å; Q175-G178 PolarHBondContact O-N 3.14Å; W176-G178 VanDerWaalsContact C-N 3.28Å; W176-G178 PolarHBondContact O-N 2.9Å; G178-R182 WeakPolarHBondContact O-CB 3.27Å; G178-R182 WeakPolarHBondContact O-CG 3.46Å; G178-R182 PolarHBondContact O-N 3.37Å; G178-R182 PolarHBondContact O-NH1 3.31Å
179T93.9Very high92.8Very high59 Ų59106 Ų10636%0.36252%0.515SS..Hα-helixtrans-65.4-42.4174.657.50000111.9Q175 W176 R182 L183Q175-T179 WeakPolarHBondContact O-CG2 3.49Å; Q175-T179 PolarHBondContact O-N 3.03Å; Q175-T179 PolarHBondContact O-OG1 2.99Å; W176-T179 WeakPolarHBondContact CA-OG1 3.46Å; W176-T179 PolarHBondContact O-N 3.31Å; W176-T179 VanDerWaalsContact O-N 3.09Å; W176-T179 PolarHBondContact O-OG1 3.03Å; T179-R182 PolarHBondContact O-N 3.2Å; T179-L183 WeakPolarHBondContact O-CB 3.43Å; T179-L183 PolarHBondContact O-N 3.45Å
180A91.3Very high92.3Very high51 Ų51104 Ų10442%0.42150%0.502SS..Hα-helixtrans-62.9-43.5177.300000110.8W176 D177 L183 H184W176-A180 WeakPolarHBondContact O-CB 3.29Å; W176-A180 PolarHBondContact O-N 2.93Å; D177-A180 PolarHBondContact O-N 3.24Å; A180-L183 PolarHBondContact O-N 3.02Å; A180-H184 WeakPolarHBondContact O-CB 3.28Å; A180-H184 PolarHBondContact O-N 2.94Å
181F92.3Very high91.7Very high156 Ų156100 Ų10068%0.68449%0.493SS*.Hα-helixtrans-63.3-45.7175.5-172-94.8000112.1D177 L183 H184 A185D177-F181 WeakPolarHBondContact O-CB 3.38Å; D177-F181 PolarHBondContact O-N 2.93Å; F181-L183 VanDerWaalsContact C-N 3.34Å; F181-L183 PolarHBondContact O-N 3.48Å; F181-H184 PolarHBondContact O-N 2.99Å; F181-A185 WeakPolarHBondContact O-CB 3.44Å; F181-A185 PolarHBondContact O-N 3.44Å
182R93.6Very high90.9Very high156 Ų156103.9 Ų103.959%0.58950%0.497SS*.Hα-helixtrans-60.6-42.6175.3-75.8-169.1-59.9-86.15.8112G178 T179 A185 R186G178-R182 WeakPolarHBondContact O-CB 3.27Å; G178-R182 WeakPolarHBondContact O-CG 3.46Å; G178-R182 PolarHBondContact O-N 3.37Å; G178-R182 PolarHBondContact O-NH1 3.31Å; T179-R182 PolarHBondContact O-N 3.2Å; R182-A185 PolarHBondContact O-N 2.91Å; R182-R186 WeakPolarHBondContact O-CB 3.22Å; R182-R186 PolarHBondContact O-N 2.85Å
183L92.1Very high90.1Very high87 Ų87106.5 Ų106.546%0.45551%0.508SS..Hα-helixtrans-62.4-48176.1-175.272.2000111.1T179 A180 F181 A185 R186 H187T179-L183 WeakPolarHBondContact O-CB 3.43Å; T179-L183 PolarHBondContact O-N 3.45Å; A180-L183 PolarHBondContact O-N 3.02Å; F181-L183 VanDerWaalsContact C-N 3.34Å; F181-L183 PolarHBondContact O-N 3.48Å; L183-A185 PolarHBondContact O-N 3Å; L183-R186 PolarHBondContact O-N 3.31Å; L183-H187 PolarHBondContact O-N 3.44Å
184H90.1Very high89.2Confident139 Ų139107.5 Ų107.564%0.64451%0.512SS*.Hα-helixtrans-58.7-45175-96.444.6000112.3A180 F181 R186 H187 K188A180-H184 WeakPolarHBondContact O-CB 3.28Å; A180-H184 PolarHBondContact O-N 2.94Å; F181-H184 PolarHBondContact O-N 2.99Å; H184-R186 VanDerWaalsContact C-N 3.35Å; H184-R186 PolarHBondContact O-N 2.91Å; H184-H187 PolarHBondContact O-N 3.36Å; H184-K188 VanDerWaalsContact O-CB 3.28Å; H184-K188 WeakPolarHBondContact O-CB 3.49Å; H184-K188 PolarHBondContact O-N 3.32Å
185A89.9Confident87.9Confident47 Ų47106.4 Ų106.439%0.38851%0.514SS..Hα-helixtrans-61.5-43.4177.100000111.6F181 R182 L183 K188 E189F181-A185 WeakPolarHBondContact O-CB 3.44Å; F181-A185 PolarHBondContact O-N 3.44Å; R182-A185 PolarHBondContact O-N 2.91Å; L183-A185 PolarHBondContact O-N 3Å; A185-K188 PolarHBondContact O-N 3.41Å; A185-E189 WeakPolarHBondContact O-CB 3.43Å; A185-E189 PolarHBondContact O-N 2.88Å
186R89.9Confident86.5Confident170 Ų170105.9 Ų105.964%0.64252%0.515SS*.Hα-helixtrans-61-48.9176-173.3-178.3-179.6-173.60.8111.8R182 L183 H184 K188 E189 Q190R182-R186 WeakPolarHBondContact O-CB 3.22Å; R182-R186 PolarHBondContact O-N 2.85Å; L183-R186 PolarHBondContact O-N 3.31Å; H184-R186 VanDerWaalsContact C-N 3.35Å; H184-R186 PolarHBondContact O-N 2.91Å; R186-K188 VanDerWaalsContact C-N 3.31Å; R186-K188 PolarHBondContact O-N 3.28Å; R186-E189 PolarHBondContact O-N 3.3Å; R186-Q190 WeakPolarHBondContact O-CG 3.49Å; R186-Q190 PolarHBondContact O-N 2.97Å
187H87.2Confident84.5Confident88 Ų88101.1 Ų101.141%0.40751%0.506SS..Hα-helixtrans-61.7-40.5176.7-67.4160.7000111.8L183 H184 E189 Q190 L191L183-H187 PolarHBondContact O-N 3.44Å; H184-H187 PolarHBondContact O-N 3.36Å; H187-E189 VanDerWaalsContact C-N 3.33Å; H187-E189 PolarHBondContact O-N 3.02Å; H187-Q190 PolarHBondContact CD2-OE1 3.44Å; H187-Q190 PolarHBondContact O-N 3.19Å; H187-L191 WeakPolarHBondContact O-CG 3.49Å; H187-L191 PolarHBondContact O-N 2.99Å
188K87.9Confident82.7Confident126 Ų126102.3 Ų102.355%0.54853%0.528SS..Hα-helixtrans-62.8-39.6176.9-166.9176.6-174.8176.60112H184 A185 R186 L191 R192H184-K188 VanDerWaalsContact O-CB 3.28Å; H184-K188 WeakPolarHBondContact O-CB 3.49Å; H184-K188 PolarHBondContact O-N 3.32Å; A185-K188 PolarHBondContact O-N 3.41Å; R186-K188 VanDerWaalsContact C-N 3.31Å; R186-K188 PolarHBondContact O-N 3.28Å; K188-L191 PolarHBondContact O-N 3.36Å; K188-R192 WeakPolarHBondContact O-CG 3.31Å; K188-R192 PolarHBondContact O-N 3.24Å; K188-R192 VanDerWaalsContact O-N 3.14Å
189E84.6Confident80.7Confident84 Ų84104.8 Ų104.839%0.39355%0.553SS.*Hα-helixtrans-69.9-41.1176.1-16857.5-148.600111.9A185 R186 H187 L191 R192 Q193A185-E189 WeakPolarHBondContact O-CB 3.43Å; A185-E189 PolarHBondContact O-N 2.88Å; R186-E189 PolarHBondContact O-N 3.3Å; H187-E189 VanDerWaalsContact C-N 3.33Å; H187-E189 PolarHBondContact O-N 3.02Å; E189-L191 VanDerWaalsContact C-N 3.33Å; E189-L191 PolarHBondContact O-N 2.88Å; E189-R192 WeakPolarHBondContact O-CB 3.28Å; E189-R192 PolarHBondContact O-N 3.33Å; E189-R192 VanDerWaalsContact O-N 3.14Å; E189-R192 WeakPolarHBondContact OE2-CD 3.23Å; E189-R192 IonicContact OE2-CZ 3.55Å; E189-R192 IonicContact OE2-NH1 3.31Å; E189-R192 PolarHBondContact OE2-NH1 2.97Å; E189-Q193 WeakPolarHBondContact O-CG 3.33Å; E189-Q193 PolarHBondContact O-N 3.08Å
190Q85.4Confident78.4Confident72 Ų72106.2 Ų106.234%0.33657%0.566SS.*Hα-helixtrans-58.5-45.2172.4-72.4173.3-53.700111.3R186 H187 R192 Q193 F194R186-Q190 WeakPolarHBondContact O-CG 3.49Å; R186-Q190 PolarHBondContact O-N 2.97Å; H187-Q190 PolarHBondContact CD2-OE1 3.44Å; H187-Q190 PolarHBondContact O-N 3.19Å; Q190-R192 VanDerWaalsContact C-N 3.28Å; Q190-R192 PolarHBondContact O-N 3.03Å; Q190-Q193 WeakPolarHBondContact O-CB 3.44Å; Q190-Q193 PolarHBondContact O-N 3.4Å; Q190-F194 WeakPolarHBondContact O-CD2 3.19Å; Q190-F194 PolarHBondContact O-N 3.11Å; Q190-F194 VanDerWaalsContact O-N 3.11Å
191L84.4Confident76.4Confident88 Ų88112 Ų11246%0.46159%0.589SS.*Hα-helixtrans-59.3-37.2175.5-72.9169.1000112.7H187 K188 E189 F194 G195 L196H187-L191 WeakPolarHBondContact O-CG 3.49Å; H187-L191 PolarHBondContact O-N 2.99Å; K188-L191 PolarHBondContact O-N 3.36Å; E189-L191 VanDerWaalsContact C-N 3.33Å; E189-L191 PolarHBondContact O-N 2.88Å; L191-F194 CarbonylContact O-C 3.56Å; L191-F194 PolarHBondContact O-N 3.25Å; L191-G195 PolarHBondContact O-N 2.92Å; L191-L196 HydrophobicContact CD2-CD1 4.32Å; L191-L196 PolarHBondContact O-N 2.69Å
192R79.4Confident74Confident128 Ų128115.4 Ų115.448%0.48360%0.597SS.*Hα-helixtrans-63.8-41.3172.7-71.9172.7172.1167.8-7112.4K188 E189 Q190 F194 G195 T197K188-R192 WeakPolarHBondContact O-CG 3.31Å; K188-R192 PolarHBondContact O-N 3.24Å; K188-R192 VanDerWaalsContact O-N 3.14Å; E189-R192 WeakPolarHBondContact O-CB 3.28Å; E189-R192 PolarHBondContact O-N 3.33Å; E189-R192 VanDerWaalsContact O-N 3.14Å; E189-R192 WeakPolarHBondContact OE2-CD 3.23Å; E189-R192 IonicContact OE2-CZ 3.55Å; E189-R192 IonicContact OE2-NH1 3.31Å; E189-R192 PolarHBondContact OE2-NH1 2.97Å; Q190-R192 VanDerWaalsContact C-N 3.28Å; Q190-R192 PolarHBondContact O-N 3.03Å; R192-F194 PolarHBondContact O-N 3.02Å; R192-G195 PolarHBondContact O-N 3.33Å; R192-T197 HydrophobicContact CG-CG2 3.87Å
193Q80.4Confident72.2Confident142 Ų142113 Ų11366%0.66460%0.602SS**Hα-helixtrans-62.1-29175.9-67.4172.21.300112.2E189 Q190 G195E189-Q193 WeakPolarHBondContact O-CG 3.33Å; E189-Q193 PolarHBondContact O-N 3.08Å; Q190-Q193 WeakPolarHBondContact O-CB 3.44Å; Q190-Q193 PolarHBondContact O-N 3.4Å; Q193-G195 VanDerWaalsContact C-N 3.32Å
194F76.4Confident70Confident159 Ų159114.6 Ų114.670%0.69762%0.617SS**THydrogen-bonded Turntrans-86.98.5172.4-65.5-68.5000114.2Q190 L191 R192 L196Q190-F194 WeakPolarHBondContact O-CD2 3.19Å; Q190-F194 PolarHBondContact O-N 3.11Å; Q190-F194 VanDerWaalsContact O-N 3.11Å; L191-F194 CarbonylContact O-C 3.56Å; L191-F194 PolarHBondContact O-N 3.25Å; R192-F194 PolarHBondContact O-N 3.02Å; F194-L196 VanDerWaalsContact C-N 3.35Å; F194-L196 PolarHBondContact O-N 3.28Å
195G68.9Low68.1Low59 Ų59112.2 Ų112.261%0.60862%0.622SS**THydrogen-bonded Turntrans78.810.7176.600000115.5L191 R192 Q193L191-G195 PolarHBondContact O-N 2.92Å; R192-G195 PolarHBondContact O-N 3.33Å; Q193-G195 VanDerWaalsContact C-N 3.32Å
196L65.6Low66.2Low118 Ų118116 Ų11662%0.61864%0.642SS**  trans-102.980.5-176.7-64.6168.7000110.3L191 F194L191-L196 HydrophobicContact CD2-CD1 4.32Å; L191-L196 PolarHBondContact O-N 2.69Å; F194-L196 VanDerWaalsContact C-N 3.35Å; F194-L196 PolarHBondContact O-N 3.28Å
197T53.6Low64.2Low80 Ų80113.4 Ų113.449%0.49165%0.65SS.*  trans-86.7128.9169.826.90000111.1R192 G199 S200R192-T197 HydrophobicContact CG-CG2 3.87Å; T197-G199 PolarHBondContact O-N 2.86Å; T197-S200 WeakPolarHBondContact O-CB 3.44Å; T197-S200 PolarHBondContact O-N 3.24Å
198A55.6Low62Low116 Ų116121.1 Ų121.196%0.95969%0.693SS**THydrogen-bonded Turntrans-67.122.7-179.800000115.7
199G53Low60.7Low75 Ų75120.9 Ų120.977%0.77370%0.701SS**THydrogen-bonded Turntrans-1201.4167.700000113.3T197T197-G199 PolarHBondContact O-N 2.86Å
200S44.4Very low59.5Low89 Ų89122.8 Ų122.862%0.62272%0.717SS**  trans-88.5-1.3-175.6-177.80000114.6T197 R202T197-S200 WeakPolarHBondContact O-CB 3.44Å; T197-S200 PolarHBondContact O-N 3.24Å; S200-R202 PolarHBondContact O-N 3.12Å; S200-R202 VanDerWaalsContact O-N 3.07Å
201L49.9Very low58Low173 Ų173125.7 Ų125.791%0.90674%0.738SS**  trans-87.267.9172.1-73.3166000109.8P203L201-P203 WeakPolarHBondContact O-CD 3.41Å
202R42Very low56.5Low228 Ų228127.9 Ų127.986%0.8675%0.754SS**  trans-76.6115.8153.4-173.7-179-170.4-1763.3106.1S200S200-R202 PolarHBondContact O-N 3.12Å; S200-R202 VanDerWaalsContact O-N 3.07Å
203P55.3Low55Low105 Ų105127.9 Ų127.968%0.68277%0.771SS**PPolyproline II helixtrans-68.2142.7171.826-26.6000108.8L201L201-P203 WeakPolarHBondContact O-CD 3.41Å
204P45.2Very low53.4Low121 Ų121126.9 Ų126.979%0.78678%0.778SS**PPolyproline II helixtrans-64.9141.117627.9-31.4000109.5
205A50.5Low51.7Low89 Ų89124.6 Ų124.674%0.73678%0.784SS**PPolyproline II helixtrans-61.7137.4171.900000110
206P51.3Low50.4Low125 Ų125129.7 Ų129.781%0.81280%0.798SS**PPolyproline II helixtrans-78.4131167.429.8-29000109.9L208P206-L208 PolarHBondContact O-N 3.35Å
207S46.7Very low49.1Very low117 Ų117130.7 Ų130.782%0.81881%0.813SS**PPolyproline II helixtrans-69116.9170.8-290000110.2
208L42Very low48.7Very low250 Ų250135.3 Ų135.3100%1.30984%0.842SS**  trans177.40133.6-94.4164.2000109.6P206P206-L208 PolarHBondContact O-N 3.35Å

Retrieved 208 of 208 residues in 312 ms (Link to these results)