A0A096NFN0_PAPAN Loading...

Kinesin-like protein

AlphaFold DB , UniProt , Accession A0A096NFN0, Species PAPAN (Papio anubis, Olive baboon), Gene KIF18A, Length 897 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M29.4Very low48.3Very low246 Ų246132.5 Ų132.5100%1.21271%0.709SS**  0119.70-74.3171.8161.600107.7
2S30.6Very low52Low115 Ų115121.6 Ų121.680%0.80465%0.651SS**PPolyproline II helixtrans-84.3117.4178.748.60000110T4S2-T4 PolarHBondContact O-N 3.3Å
3V26.5Very low55.2Low143 Ų143120 Ų12087%0.86763%0.634SS**PPolyproline II helixtrans-67.7120168.9-178.40000107.5
4T33.8Very low58.2Low110 Ų110111.4 Ų111.468%0.67559%0.589SS**PPolyproline II helixtrans-67.7127.5171.243.30000109.1S2 E6S2-T4 PolarHBondContact O-N 3.3Å; T4-E6 PolarHBondContact O-N 2.91Å
5E39.2Very low60.8Low191 Ų191104.3 Ų104.389%0.89355%0.551SS**  trans-59.2109.1167.9-70.2-177.9138.900108.7
6E39Very low63.1Low160 Ų16097.8 Ų97.875%0.74852%0.517SS*.  trans-66137.6174.4-62.4-177.714800109.5T4 L8T4-E6 PolarHBondContact O-N 2.91Å; E6-L8 VanDerWaalsContact C-N 3.26Å; E6-L8 PolarHBondContact O-N 2.87Å
7D45.8Very low65.1Low130 Ų13092.9 Ų92.970%0.69549%0.49SS*.  trans-63.986.3172.6-82.6-47.2000109.8C9D7-C9 PolarHBondContact O-N 3.32Å
8L57.3Low66.9Low111 Ų11187.9 Ų87.958%0.58146%0.464SS*.  trans-60.898.3179.9-81.3153.8000110.3E6 H10E6-L8 VanDerWaalsContact C-N 3.26Å; E6-L8 PolarHBondContact O-N 2.87Å; L8-H10 PolarHBondContact O-N 3Å; L8-H10 VanDerWaalsContact O-N 3.07Å; L8-H10 PolarHBondContact O-ND1 2.73Å
9C62.2Low68.3Low76 Ų7684.4 Ų84.451%0.51444%0.443SS..EExtended strand (participates in β ladder)trans-65.8104.5176.5-177.10000110.3D7D7-C9 PolarHBondContact O-N 3.32Å
10H79.9Confident69.5Low70 Ų7083.8 Ų83.832%0.32445%0.445SS..EExtended strand (participates in β ladder)trans-97137.1178.8-77.270.3000110.6L8 K356 S357 L359L8-H10 PolarHBondContact O-N 3Å; L8-H10 VanDerWaalsContact O-N 3.07Å; L8-H10 PolarHBondContact O-ND1 2.73Å; H10-K356 CarbonylContact O-C 3.6Å; H10-K356 WeakPolarHBondContact O-CA 3.48Å; H10-S357 PolarHBondContact N-O 3.36Å; H10-S357 VanDerWaalsContact N-O 3.08Å; H10-S357 PolarHBondContact O-N 2.84Å; H10-L359 HydrophobicContact CB-CD1 3.86Å; H10-L359 HydrophobicContact CB-CG 3.93Å; H10-L359 WeakPolarHBondContact ND1-CD1 3.25Å
11H88.2Confident70.4Confident105 Ų10582.3 Ų82.349%0.48644%0.435SS..EExtended strand (participates in β ladder)trans-82.1148169.2-62.685.2000110.1K13 I355 K356H11-K13 PolarHBondContact O-N 3.01Å; H11-I355 CarbonylContact C-O 3.5Å; H11-I355 WeakPolarHBondContact CA-O 3.11Å; H11-K356 WeakPolarHBondContact NE2-CE 3.43Å
12M92.1Very high73.2Confident2 Ų274.1 Ų74.11%0.0140%0.396CS..PPolyproline II helixtrans-67.7121.9173-168.3173.679.600109.3V14 I292 L320 T326 M328 A352 I355M12-V14 HydrophobicContact CE-CG2 4.33Å; M12-I292 HydrophobicContact CE-CD1 4.47Å; M12-L320 HydrophobicContact SD-CD2 4.26Å; M12-T326 HydrophobicContact CG-CG2 3.9Å; M12-T326 VanDerWaalsContact CG-O 3.26Å; M12-T326 WeakPolarHBondContact CG-O 3.47Å; M12-T326 HydrophobicContact SD-CG2 3.45Å; M12-T326 WeakPolarHBondContact SD-CG2 3.49Å; M12-M328 HydrophobicContact CE-CB 3.85Å; M12-M328 HydrophobicContact CE-SD 4.2Å; M12-A352 HydrophobicContact CE-CB 3.35Å; M12-A352 WeakPolarHBondContact CE-O 3.39Å; M12-I355 HydrophobicContact CB-CB 4.2Å; M12-I355 HydrophobicContact CE-CD1 4.27Å; M12-I355 PolarHBondContact N-O 3.12Å
13K94.4Very high75.8Confident101 Ų10174.3 Ų74.344%0.43939%0.393SS..EExtended strand (participates in β ladder)trans-74.6136.6178.7-63.1-173.3174.6-171.40110H11 D77 T326 I327 M328H11-K13 PolarHBondContact O-N 3.01Å; K13-D77 WeakPolarHBondContact CA-OD2 3.33Å; K13-T326 PolarHBondContact N-O 2.93Å; K13-I327 HydrophobicContact CB-CD1 3.96Å; K13-I327 HydrophobicContact CB-CG1 3.99Å; K13-I327 HydrophobicContact CB-CG2 4.49Å; K13-I327 HydrophobicContact CD-CD1 3.92Å; K13-I327 HydrophobicContact CG-CD1 4.45Å; K13-I327 VanDerWaalsContact O-CA 3.31Å; K13-I327 WeakPolarHBondContact O-CA 3.49Å; K13-M328 PolarHBondContact O-N 3.16Å
14V96.4Very high78.6Confident0 Ų076 Ų760%039%0.388CS..EExtended strand (participates in β ladder)trans-125124.2-179.2-177.60000109.3M12 F76 D77 M328 A349 A352 K353M12-V14 HydrophobicContact CE-CG2 4.33Å; V14-F76 HydrophobicContact CB-CD1 4.24Å; V14-F76 HydrophobicContact CG1-CD1 3.65Å; V14-F76 HydrophobicContact CG1-CE1 4Å; V14-D77 PolarHBondContact N-OD2 2.89Å; V14-D77 WeakPolarHBondContact O-CB 3.24Å; V14-D77 PolarHBondContact O-N 2.92Å; V14-M328 WeakPolarHBondContact CA-O 3.34Å; V14-M328 HydrophobicContact CG2-CB 4.41Å; V14-A349 HydrophobicContact CG1-CB 3.68Å; V14-A352 HydrophobicContact CG2-CB 4.01Å; V14-K353 HydrophobicContact CB-CB 4.45Å; V14-K353 HydrophobicContact CG2-CB 3.9Å
15V97.3Very high81Confident4 Ų471.4 Ų71.42%0.02436%0.359CS..EExtended strand (participates in β ladder)trans-126131.7-176.9-178.20000108.7A78 F80 T93 I327 M328 I329 A330V15-A78 WeakPolarHBondContact CA-O 3.42Å; V15-A78 HydrophobicContact CB-CB 4.48Å; V15-A78 HydrophobicContact CG1-CB 3.74Å; V15-A78 HydrophobicContact CG2-CB 4.13Å; V15-F80 HydrophobicContact CG1-CD2 3.62Å; V15-F80 HydrophobicContact CG1-CE2 3.21Å; V15-F80 HydrophobicContact CG1-CZ 4.02Å; V15-T93 HydrophobicContact CB-CG2 4.39Å; V15-T93 HydrophobicContact CG1-CG2 4.22Å; V15-T93 HydrophobicContact CG2-CG2 4.27Å; V15-I327 HydrophobicContact CG2-CG2 4.34Å; V15-M328 PolarHBondContact N-O 3.27Å; V15-I329 CarbonylContact O-C 3.59Å; V15-I329 WeakPolarHBondContact O-CA 3.43Å; V15-A330 PolarHBondContact O-N 3.13Å
16V97.9Very high83.1Confident0 Ų068.7 Ų68.70%035%0.345CS..EExtended strand (participates in β ladder)trans-100.3140.8177.41780000110L42 F76 A78 V79 F80 A330 V332 L346V16-L42 HydrophobicContact CG1-CD1 3.83Å; V16-F76 HydrophobicContact CB-CD2 4.25Å; V16-F76 HydrophobicContact CG2-CB 4.41Å; V16-F76 HydrophobicContact CG2-CD1 3.95Å; V16-F76 HydrophobicContact CG2-CD2 3.35Å; V16-F76 HydrophobicContact CG2-CE1 4.01Å; V16-F76 HydrophobicContact CG2-CE2 3.4Å; V16-F76 HydrophobicContact CG2-CG 3.63Å; V16-F76 HydrophobicContact CG2-CZ 3.74Å; V16-A78 PolarHBondContact N-O 3.39Å; V16-V79 HydrophobicContact CB-CG2 4.47Å; V16-V79 WeakPolarHBondContact O-CA 3.44Å; V16-F80 PolarHBondContact O-N 3.37Å; V16-A330 CarbonylContact C-O 3.58Å; V16-A330 WeakPolarHBondContact CA-O 3.37Å; V16-A330 HydrophobicContact CG2-CB 4.13Å; V16-V332 HydrophobicContact CG1-CG2 3.83Å; V16-L346 HydrophobicContact CG1-CD2 4.08Å; V16-L346 HydrophobicContact CG2-CD2 4.06Å
17R97.4Very high85.3Confident16 Ų1665.4 Ų65.46%0.0635%0.345CS..EExtended strand (participates in β ladder)trans-124.3117.2169.3-172.3-178.7-169.1-178.510.1110.5F80 S84 Q86 T122 A330 A331 V332R17-F80 HydrophobicContact CB-CB 4.26Å; R17-F80 HydrophobicContact CB-CD2 4.31Å; R17-F80 HydrophobicContact CG-CB 4Å; R17-S84 PolarHBondContact NH2-O 3.05Å; R17-S84 VanDerWaalsContact NH2-O 3.11Å; R17-Q86 VanDerWaalsContact CZ-OE1 3.3Å; R17-T122 WeakPolarHBondContact CD-OG1 3.47Å; R17-T122 PolarHBondContact NH1-OG1 3.04Å; R17-A330 PolarHBondContact N-O 3.24Å; R17-A331 WeakPolarHBondContact O-CA 3.15Å; R17-V332 PolarHBondContact O-N 2.74Å
18V96.8Very high86.9Confident2 Ų262.6 Ų62.61%0.01234%0.34CS..EExtended strand (participates in β ladder)trans-85.6121.6169.1-1690000107.6V34 V36 L42 F80 D81 E82 V332 P334V18-V34 HydrophobicContact CG1-CG1 4.19Å; V18-V34 HydrophobicContact CG2-CG1 3.71Å; V18-V36 HydrophobicContact CG2-CG2 3.76Å; V18-L42 HydrophobicContact CG2-CD1 3.82Å; V18-F80 PolarHBondContact N-O 2.98Å; V18-D81 CarbonylContact O-C 3.01Å; V18-D81 VanDerWaalsContact O-O 3.07Å; V18-E82 HydrophobicContact CG1-CG 3.95Å; V18-V332 HydrophobicContact CB-CG2 4.3Å; V18-V332 HydrophobicContact CG2-CG2 3.87Å; V18-P334 HydrophobicContact CG1-CB 3.96Å; V18-P334 HydrophobicContact CG1-CG 4.25Å
19R94.5Very high87.8Confident21 Ų2160.7 Ų60.78%0.07935%0.347CS..PPolyproline II helixtrans-81.1150174.465.2147.1-179.979.52.1111.5N22 E25 G116 V332 S333 P334R19-N22 VanDerWaalsContact CZ-ND2 3.3Å; R19-N22 PolarHBondContact NH2-ND2 2.95Å; R19-E25 IonicContact CZ-OE1 2.61Å; R19-E25 IonicContact CZ-OE2 3.15Å; R19-E25 VanDerWaalsContact CZ-OE2 3.31Å; R19-E25 IonicContact NH1-OE1 3.34Å; R19-E25 IonicContact NH1-OE2 3.16Å; R19-E25 PolarHBondContact NH1-OE2 2.97Å; R19-E25 IonicContact NH2-OE1 3.96Å; R19-E25 PolarHBondContact NH2-OE1 3.15Å; R19-E25 IonicContact NH2-OE2 2.68Å; R19-E25 PolarHBondContact NH2-OE2 3.2Å; R19-G116 PolarHBondContact NE-O 3.19Å; R19-V332 PolarHBondContact N-O 3.24Å; R19-V332 VanDerWaalsContact N-O 3.11Å; R19-S333 PolarHBondContact NH2-OG 3.15Å; R19-S333 VanDerWaalsContact NH2-OG 3.13Å; R19-P334 WeakPolarHBondContact O-CD 3.27Å; R19-P334 WeakPolarHBondContact O-CG 3.34Å
20P91.8Very high88.8Confident72 Ų7258.6 Ų58.647%0.46833%0.329SS..PPolyproline II helixtrans-60.3161.616922.7-31.1000112.7E82P20-E82 HydrophobicContact CB-CB 4.15Å; P20-E82 WeakPolarHBondContact CD-O 3.28Å
21E88.9Confident89Confident53 Ų5360 Ų6025%0.24834%0.335CS..PPolyproline II helixtrans-69.3133.6-176.2-33.2178.1135.100112.7K26 F30 K32E21-K26 HydrophobicContact CB-CG 4.01Å; E21-K26 WeakPolarHBondContact O-CE 3.39Å; E21-K26 VanDerWaalsContact OE2-CE 3.23Å; E21-K26 WeakPolarHBondContact OE2-CE 3.15Å; E21-K26 WeakPolarHBondContact OE2-CG 3.41Å; E21-F30 HydrophobicContact CB-CE1 4.16Å; E21-F30 HydrophobicContact CB-CZ 3.93Å; E21-F30 HydrophobicContact CG-CE1 4.34Å; E21-F30 HydrophobicContact CG-CZ 3.75Å; E21-F30 VanDerWaalsContact OE1-CZ 3.24Å; E21-F30 WeakPolarHBondContact OE1-CZ 3.34Å; E21-K32 WeakPolarHBondContact OE1-CE 3.09Å; E21-K32 IonicContact OE1-NZ 3.92Å
22N86.8Confident89Confident74 Ų7459.7 Ų59.740%0.39633%0.333SS..PPolyproline II helixtrans-79.3155177.7-69.2-21.8000111.6R19 K24 E25 K26R19-N22 VanDerWaalsContact CZ-ND2 3.3Å; R19-N22 PolarHBondContact NH2-ND2 2.95Å; N22-K24 VanDerWaalsContact C-N 3.27Å; N22-K24 PolarHBondContact O-N 2.89Å; N22-E25 HydrophobicContact CB-CG 4.23Å; N22-E25 WeakPolarHBondContact CB-OE2 3.44Å; N22-E25 PolarHBondContact N-OE2 3.27Å; N22-E25 WeakPolarHBondContact O-CA 3.48Å; N22-E25 WeakPolarHBondContact O-CB 3.36Å; N22-E25 PolarHBondContact O-N 2.82Å; N22-K26 PolarHBondContact O-N 3.24Å
23T86.1Confident89Confident120 Ų12059.6 Ų59.674%0.73633%0.332SS*.Hα-helixtrans-52.7-40.917852.60000113.7E25 K26 A27T23-E25 VanDerWaalsContact C-N 3.3Å; T23-E25 PolarHBondContact O-N 3.01Å; T23-K26 PolarHBondContact O-N 2.69Å; T23-A27 WeakPolarHBondContact O-CB 3.25Å; T23-A27 PolarHBondContact O-N 3.34Å
24K84.2Confident88.9Confident177 Ų17755.2 Ų55.277%0.7731%0.314SS*.Hα-helixtrans-63.5-33.2174.9-66.5-174.2178.9-177.30113.3N22 A28N22-K24 VanDerWaalsContact C-N 3.27Å; N22-K24 PolarHBondContact O-N 2.89Å; K24-A28 WeakPolarHBondContact O-CB 3.49Å; K24-A28 PolarHBondContact O-N 3.2Å
25E84.8Confident88.8Confident14 Ų1460.2 Ų60.27%0.06534%0.337CS..Hα-helixtrans-76.6-48.6178.9-61.7172.9138.800109R19 N22 T23 A27 A28 G29 F30 S333 S335 F338R19-E25 IonicContact CZ-OE1 2.61Å; R19-E25 IonicContact CZ-OE2 3.15Å; R19-E25 VanDerWaalsContact CZ-OE2 3.31Å; R19-E25 IonicContact NH1-OE1 3.34Å; R19-E25 IonicContact NH1-OE2 3.16Å; R19-E25 PolarHBondContact NH1-OE2 2.97Å; R19-E25 IonicContact NH2-OE1 3.96Å; R19-E25 PolarHBondContact NH2-OE1 3.15Å; R19-E25 IonicContact NH2-OE2 2.68Å; R19-E25 PolarHBondContact NH2-OE2 3.2Å; N22-E25 HydrophobicContact CB-CG 4.23Å; N22-E25 WeakPolarHBondContact CB-OE2 3.44Å; N22-E25 PolarHBondContact N-OE2 3.27Å; N22-E25 WeakPolarHBondContact O-CA 3.48Å; N22-E25 WeakPolarHBondContact O-CB 3.36Å; N22-E25 PolarHBondContact O-N 2.82Å; T23-E25 VanDerWaalsContact C-N 3.3Å; T23-E25 PolarHBondContact O-N 3.01Å; E25-A27 PolarHBondContact O-N 3.14Å; E25-A28 WeakPolarHBondContact O-CA 3.44Å; E25-A28 PolarHBondContact O-N 3.3Å; E25-G29 PolarHBondContact O-N 2.99Å; E25-F30 VanDerWaalsContact C-CD1 3.49Å; E25-F30 HydrophobicContact CB-CD1 3.6Å; E25-F30 HydrophobicContact CB-CE1 3.47Å; E25-F30 VanDerWaalsContact CB-CE1 3.47Å; E25-F30 HydrophobicContact CB-CG 4.44Å; E25-F30 HydrophobicContact CB-CZ 4.24Å; E25-F30 VanDerWaalsContact O-CD1 3.24Å; E25-F30 WeakPolarHBondContact O-CD1 3.42Å; E25-S333 PolarHBondContact OE1-OG 3.48Å; E25-S335 VanDerWaalsContact OE1-CB 3.24Å; E25-S335 WeakPolarHBondContact OE1-CB 3.42Å; E25-F338 WeakPolarHBondContact OE1-CE2 3.49Å
26K84.1Confident88.6Confident135 Ų13561.7 Ų61.759%0.58735%0.346SS*.Hα-helixtrans-51.3-43.1173.4-66.5-173.4180-171.90112.5E21 N22 T23 A28E21-K26 HydrophobicContact CB-CG 4.01Å; E21-K26 WeakPolarHBondContact O-CE 3.39Å; E21-K26 VanDerWaalsContact OE2-CE 3.23Å; E21-K26 WeakPolarHBondContact OE2-CE 3.15Å; E21-K26 WeakPolarHBondContact OE2-CG 3.41Å; N22-K26 PolarHBondContact O-N 3.24Å; T23-K26 PolarHBondContact O-N 2.69Å; K26-A28 VanDerWaalsContact C-N 3.31Å; K26-A28 PolarHBondContact O-N 3.2Å
27A84.4Confident88.4Confident90 Ų9065.6 Ų65.674%0.74437%0.37SS*.Hα-helixtrans-69.8-22.7176.100000114.5T23 E25T23-A27 WeakPolarHBondContact O-CB 3.25Å; T23-A27 PolarHBondContact O-N 3.34Å; E25-A27 PolarHBondContact O-N 3.14Å
28A79.3Confident88.1Confident72 Ų7268 Ų6860%0.59538%0.384SS*.Hα-helixtrans-92-4.7-176.900000114.3K24 E25 K26 F30K24-A28 WeakPolarHBondContact O-CB 3.49Å; K24-A28 PolarHBondContact O-N 3.2Å; E25-A28 WeakPolarHBondContact O-CA 3.44Å; E25-A28 PolarHBondContact O-N 3.3Å; K26-A28 VanDerWaalsContact C-N 3.31Å; K26-A28 PolarHBondContact O-N 3.2Å; A28-F30 VanDerWaalsContact C-N 3.34Å; A28-F30 PolarHBondContact O-N 2.89Å
29G76.9Confident88Confident70 Ų7074.3 Ų74.372%0.72241%0.411SS*.THydrogen-bonded Turntrans6237.117600000114.3E25E25-G29 PolarHBondContact O-N 2.99Å
30F82.1Confident88Confident32 Ų3277.8 Ų77.814%0.1443%0.428CS..PPolyproline II helixtrans-66.8159.6177.377.4-77000112E21 E25 A28 K32 S335E21-F30 HydrophobicContact CB-CE1 4.16Å; E21-F30 HydrophobicContact CB-CZ 3.93Å; E21-F30 HydrophobicContact CG-CE1 4.34Å; E21-F30 HydrophobicContact CG-CZ 3.75Å; E21-F30 VanDerWaalsContact OE1-CZ 3.24Å; E21-F30 WeakPolarHBondContact OE1-CZ 3.34Å; E25-F30 VanDerWaalsContact C-CD1 3.49Å; E25-F30 HydrophobicContact CB-CD1 3.6Å; E25-F30 HydrophobicContact CB-CE1 3.47Å; E25-F30 VanDerWaalsContact CB-CE1 3.47Å; E25-F30 HydrophobicContact CB-CG 4.44Å; E25-F30 HydrophobicContact CB-CZ 4.24Å; E25-F30 VanDerWaalsContact O-CD1 3.24Å; E25-F30 WeakPolarHBondContact O-CD1 3.42Å; A28-F30 VanDerWaalsContact C-N 3.34Å; A28-F30 PolarHBondContact O-N 2.89Å; F30-K32 HydrophobicContact CE2-CG 4.15Å; F30-S335 VanDerWaalsContact CD2-CB 3.42Å; F30-S335 WeakPolarHBondContact CD2-OG 3.18Å; F30-S335 VanDerWaalsContact CE2-CA 3.44Å; F30-S335 WeakPolarHBondContact CG-OG 3.39Å
31H84.8Confident88.2Confident100 Ų10076.7 Ų76.746%0.46342%0.418SS..PPolyproline II helixtrans-98.8140.7170.161.6-87.4000110.7V33 S336H31-V33 VanDerWaalsContact CD2-CG1 3.41Å; H31-V33 WeakPolarHBondContact CD2-CG1 3.29Å; H31-V33 WeakPolarHBondContact NE2-CG1 3.46Å; H31-V33 PolarHBondContact O-N 3.49Å; H31-S336 WeakPolarHBondContact CE1-CB 3.32Å; H31-S336 PolarHBondContact ND1-OG 3.09Å; H31-S336 WeakPolarHBondContact NE2-CB 3.18Å; H31-S336 WeakPolarHBondContact O-CB 3.34Å; H31-S336 PolarHBondContact O-N 2.69Å
32K88.4Confident88.5Confident98 Ų9874.2 Ų74.243%0.42641%0.406SS..BIsolated β-bridgetrans-66.3129.2173.9-67.9-167.3173.4-161.40110.2E21 F30 E82 P334E21-K32 WeakPolarHBondContact OE1-CE 3.09Å; E21-K32 IonicContact OE1-NZ 3.92Å; F30-K32 HydrophobicContact CE2-CG 4.15Å; K32-E82 WeakPolarHBondContact CE-OE1 3.43Å; K32-E82 IonicContact NZ-OE1 2.7Å; K32-E82 PolarHBondContact NZ-OE1 2.64Å; K32-E82 IonicContact NZ-OE2 2.59Å; K32-E82 PolarHBondContact NZ-OE2 3.44Å; K32-P334 CarbonylContact C-O 3.53Å; K32-P334 WeakPolarHBondContact CA-O 3.11Å
33V91.6Very high88.8Confident1 Ų171.1 Ų71.11%0.00639%0.39CS..  trans-113.74.9178.7-59.90000112.7H31 F44 D45 P334 Y339H31-V33 VanDerWaalsContact CD2-CG1 3.41Å; H31-V33 WeakPolarHBondContact CD2-CG1 3.29Å; H31-V33 WeakPolarHBondContact NE2-CG1 3.46Å; H31-V33 PolarHBondContact O-N 3.49Å; V33-F44 HydrophobicContact CB-CE2 4.44Å; V33-F44 HydrophobicContact CG2-CE2 4.14Å; V33-F44 WeakPolarHBondContact O-CA 3.47Å; V33-F44 WeakPolarHBondContact O-CD2 3.29Å; V33-D45 PolarHBondContact O-N 2.71Å; V33-P334 PolarHBondContact N-O 3.31Å; V33-Y339 HydrophobicContact CB-CD2 4.14Å; V33-Y339 HydrophobicContact CG1-CD2 3.96Å; V33-Y339 HydrophobicContact CG2-CD2 4.4Å
34V93.3Very high89.2Confident8 Ų865.4 Ų65.45%0.04836%0.355CS..EExtended strand (participates in β ladder)trans-128.6131.8176.21780000108.1V18 L42 F44 T342V18-V34 HydrophobicContact CG1-CG1 4.19Å; V18-V34 HydrophobicContact CG2-CG1 3.71Å; V34-L42 HydrophobicContact CG1-CD1 3.58Å; V34-L42 HydrophobicContact CG1-CD2 4.03Å; V34-L42 HydrophobicContact CG1-CG 3.78Å; V34-F44 HydrophobicContact CG2-CD2 4.36Å; V34-T342 HydrophobicContact CG2-CG2 3.72Å
35H92.9Very high89.4Confident106 Ų10657.5 Ų57.549%0.49132%0.321SS..EExtended strand (participates in β ladder)trans-130.5116.1173.1-177.4-81.9000109.2V43 P46H35-V43 PolarHBondContact N-O 2.92Å; H35-V43 PolarHBondContact O-N 3.08Å; H35-P46 HydrophobicContact CB-CG 4.35Å
36V94.3Very high89.4Confident35 Ų3558.8 Ų58.821%0.21233%0.33CS..EExtended strand (participates in β ladder)trans-78124.3172.1-178.70000107.7V18 D38 L42 V79 D81V18-V36 HydrophobicContact CG2-CG2 3.76Å; V36-D38 VanDerWaalsContact CG1-O 3.32Å; V36-D38 WeakPolarHBondContact CG1-O 3.16Å; V36-L42 HydrophobicContact CG2-CD1 4.41Å; V36-V79 HydrophobicContact CB-CG1 4.33Å; V36-V79 HydrophobicContact CG1-CB 4.39Å; V36-V79 HydrophobicContact CG1-CG1 3.7Å; V36-V79 HydrophobicContact CG2-CG1 3.73Å; V36-D81 HydrophobicContact CB-CB 4.14Å; V36-D81 HydrophobicContact CG1-CB 4.32Å; V36-D81 HydrophobicContact CG2-CB 3.94Å
37V92.4Very high89.2Confident82 Ų8258.9 Ų58.950%0.49733%0.331SS..  trans-94.8-41.8-179173.30000110.6I41 V43V37-I41 HydrophobicContact CB-CB 4.35Å; V37-I41 HydrophobicContact CB-CG2 4.23Å; V37-I41 PolarHBondContact N-O 3.4Å; V37-V43 HydrophobicContact CG2-CG2 3.6Å
38D92.6Very high88.3Confident67 Ų6761 Ų6136%0.35833%0.325SS..SBendtrans-153.8-174.8175.365.151.4000110.2V36 H40 I41V36-D38 VanDerWaalsContact CG1-O 3.32Å; V36-D38 WeakPolarHBondContact CG1-O 3.16Å; D38-H40 PolarHBondContact O-N 2.81Å; D38-H40 WeakPolarHBondContact OD1-CA 3.22Å; D38-H40 PolarHBondContact OD1-N 3.28Å; D38-I41 PolarHBondContact N-O 3.42Å; D38-I41 PolarHBondContact O-N 2.92Å; D38-I41 PolarHBondContact OD1-N 2.85Å; D38-I41 WeakPolarHBondContact OD2-CD1 3.02Å; D38-I41 WeakPolarHBondContact OD2-CG1 3.42Å
39K93.4Very high87Confident133 Ų13365.9 Ų65.958%0.57834%0.336SS*.SBendtrans-63.1-4.8-178.2-62.3-163174.9-154.70115.5A78 V79K39-A78 CarbonylContact O-C 3.57Å; K39-A78 VanDerWaalsContact O-CA 3.25Å; K39-A78 WeakPolarHBondContact O-CA 3.07Å; K39-V79 PolarHBondContact O-N 2.8Å
40H94.9Very high85.6Confident95 Ų9570.5 Ų70.544%0.4434%0.339SS..SBendtrans-132.3-23.1-179.5-54.491.3000113.1D38 V75 F76 D77 V79D38-H40 PolarHBondContact O-N 2.81Å; D38-H40 WeakPolarHBondContact OD1-CA 3.22Å; D38-H40 PolarHBondContact OD1-N 3.28Å; H40-V75 WeakPolarHBondContact O-CA 3.49Å; H40-F76 PolarHBondContact O-N 3.18Å; H40-D77 PolarHBondContact CD2-O 3.37Å; H40-V79 VanDerWaalsContact C-CG2 3.5Å; H40-V79 WeakPolarHBondContact O-CG2 3.1Å
41I95.3Very high83.8Confident49 Ų4973.5 Ų73.525%0.25136%0.359SS..EExtended strand (participates in β ladder)trans-109.6127.8-172.4-55.3-175000111.9V37 D38 F74 V75V37-I41 HydrophobicContact CB-CB 4.35Å; V37-I41 HydrophobicContact CB-CG2 4.23Å; V37-I41 PolarHBondContact N-O 3.4Å; D38-I41 PolarHBondContact N-O 3.42Å; D38-I41 PolarHBondContact O-N 2.92Å; D38-I41 PolarHBondContact OD1-N 2.85Å; D38-I41 WeakPolarHBondContact OD2-CD1 3.02Å; D38-I41 WeakPolarHBondContact OD2-CG1 3.42Å; I41-F74 WeakPolarHBondContact CA-O 3.17Å; I41-V75 HydrophobicContact CG1-CG1 4.45Å; I41-V75 HydrophobicContact CG1-CG2 4.26Å
42L95.4Very high81.7Confident0 Ų073.1 Ų73.10%037%0.368CS..EExtended strand (participates in β ladder)trans-125.9132.9175.8179.1152.6000109.9V16 V18 V34 V36 F74 V79 L346V16-L42 HydrophobicContact CG1-CD1 3.83Å; V18-L42 HydrophobicContact CG2-CD1 3.82Å; V34-L42 HydrophobicContact CG1-CD1 3.58Å; V34-L42 HydrophobicContact CG1-CD2 4.03Å; V34-L42 HydrophobicContact CG1-CG 3.78Å; V36-L42 HydrophobicContact CG2-CD1 4.41Å; L42-F74 HydrophobicContact CD2-CD2 4.49Å; L42-F74 PolarHBondContact N-O 2.69Å; L42-F74 PolarHBondContact O-N 3.36Å; L42-V79 HydrophobicContact CB-CG1 4.19Å; L42-V79 HydrophobicContact CB-CG2 4.3Å; L42-V79 HydrophobicContact CD1-CG1 4Å; L42-L346 HydrophobicContact CD1-CD2 4.33Å; L42-L346 HydrophobicContact CD2-CD1 3.61Å; L42-L346 HydrophobicContact CD2-CD2 3.93Å; L42-L346 HydrophobicContact CD2-CG 4.44Å
43V94.5Very high79.8Confident10 Ų1076.6 Ų76.66%0.06138%0.383CS..EExtended strand (participates in β ladder)trans-103.3125.2173.9-175.60000109.3H35 V37 P46 L72 K73H35-V43 PolarHBondContact N-O 2.92Å; H35-V43 PolarHBondContact O-N 3.08Å; V37-V43 HydrophobicContact CG2-CG2 3.6Å; V43-P46 HydrophobicContact CG1-CB 3.95Å; V43-L72 WeakPolarHBondContact CA-O 3.14Å; V43-K73 HydrophobicContact CG2-CD 4.46Å; V43-K73 HydrophobicContact CG2-CG 4.12Å
44F93.6Very high77.6Confident0 Ų085.6 Ų85.60%042%0.423CS..EExtended strand (participates in β ladder)trans-101133.3172.6177.2-95.4000110V33 V34 L72 F74 Y339 T342 Y343 L346V33-F44 HydrophobicContact CB-CE2 4.44Å; V33-F44 HydrophobicContact CG2-CE2 4.14Å; V33-F44 WeakPolarHBondContact O-CA 3.47Å; V33-F44 WeakPolarHBondContact O-CD2 3.29Å; V34-F44 HydrophobicContact CG2-CD2 4.36Å; F44-L72 HydrophobicContact CB-CB 4.46Å; F44-L72 PolarHBondContact N-O 2.77Å; F44-L72 PolarHBondContact O-N 3.47Å; F44-F74 HydrophobicContact CB-CD2 4.27Å; F44-F74 HydrophobicContact CB-CE2 3.91Å; F44-Y339 HydrophobicContact CE1-CD2 4.25Å; F44-Y339 HydrophobicContact CE1-CE1 4.14Å; F44-Y339 AromaticContact CE1-CE2 3.7Å; F44-Y339 HydrophobicContact CE1-CE2 3.7Å; F44-Y339 AromaticContact CE1-CZ 3.62Å; F44-Y339 HydrophobicContact CE2-CD2 4.3Å; F44-Y339 HydrophobicContact CZ-CD1 4.06Å; F44-Y339 AromaticContact CZ-CD2 3.55Å; F44-Y339 HydrophobicContact CZ-CD2 3.55Å; F44-Y339 AromaticContact CZ-CE1 3.98Å; F44-Y339 HydrophobicContact CZ-CE1 3.98Å; F44-Y339 AromaticContact CZ-CE2 3.49Å; F44-Y339 HydrophobicContact CZ-CE2 3.49Å; F44-Y339 VanDerWaalsContact CZ-CE2 3.49Å; F44-Y339 AromaticContact CZ-CG 3.84Å; F44-Y339 HydrophobicContact CZ-CG 3.84Å; F44-Y339 AromaticContact CZ-CZ 3.7Å; F44-Y339 WeakPolarHBondContact CZ-O 3.38Å; F44-T342 HydrophobicContact CD2-CG2 3.98Å; F44-T342 HydrophobicContact CE2-CG2 3.88Å; F44-Y343 HydrophobicContact CD1-CD2 4.08Å; F44-Y343 HydrophobicContact CE1-CD2 4Å; F44-Y343 HydrophobicContact CE1-CG 4.16Å; F44-Y343 HydrophobicContact CZ-CG 4.49Å; F44-L346 HydrophobicContact CB-CD1 3.88Å; F44-L346 HydrophobicContact CD2-CD1 3.9Å; F44-L346 HydrophobicContact CG-CD1 4.13Å
45D88.9Confident75.4Confident11 Ų1194.8 Ų94.86%0.05947%0.465CS..SBendtrans55.355.9-179.8-166.416.2000112.4V33 N69 K70 D71 Y339V33-D45 PolarHBondContact O-N 2.71Å; D45-N69 WeakPolarHBondContact OD2-CA 3.36Å; D45-K70 HydrophobicContact CB-CB 4.37Å; D45-K70 PolarHBondContact OD2-N 2.92Å; D45-D71 WeakPolarHBondContact O-CA 3.42Å; D45-D71 PolarHBondContact O-N 3.04Å; D45-Y339 HydrophobicContact CB-CE2 3.87Å; D45-Y339 WeakPolarHBondContact OD2-CE2 3.47Å; D45-Y339 PolarHBondContact OD2-OH 3.41Å
46P84.5Confident73.1Confident40 Ų4092.8 Ų92.826%0.2647%0.473SS..PPolyproline II helixtrans-60.8151-178.527.9-35.6000110.9H35 V43 Q48 N69H35-P46 HydrophobicContact CB-CG 4.35Å; V43-P46 HydrophobicContact CG1-CB 3.95Å; P46-Q48 PolarHBondContact O-N 2.97Å; P46-N69 PolarHBondContact O-ND2 3.13Å
47K79.6Confident70.5Confident137 Ų137100.6 Ų100.660%0.59650%0.504SS*.PPolyproline II helixtrans-62.7128.3171.8-70.5165.9-175.51420109.2E49 D71K47-E49 PolarHBondContact O-N 3.38Å; K47-D71 HydrophobicContact CD-CB 4.35Å; K47-D71 WeakPolarHBondContact CD-OD2 3.49Å; K47-D71 VanDerWaalsContact CE-OD2 3.23Å; K47-D71 WeakPolarHBondContact CE-OD2 3.37Å; K47-D71 HydrophobicContact CG-CB 4.11Å; K47-D71 IonicContact NZ-OD2 2.68Å; K47-D71 PolarHBondContact NZ-OD2 3.36Å
48Q66.1Low68.3Low134 Ų134106.6 Ų106.663%0.62652%0.523SS*.PPolyproline II helixtrans-68.8117164.7-72.5-179.7-1600107.5P46 E50P46-Q48 PolarHBondContact O-N 2.97Å; Q48-E50 PolarHBondContact O-N 3.26Å; Q48-E50 VanDerWaalsContact O-N 3.1Å
49E52.3Low65.6Low175 Ų175109 Ų10982%0.81854%0.54SS*.  trans-68.7103.7165.7-69.7-173.2156.100107.8K47 V51K47-E49 PolarHBondContact O-N 3.38Å; E49-V51 HydrophobicContact CB-CG2 4.29Å; E49-V51 WeakPolarHBondContact O-CG2 3.48Å; E49-V51 PolarHBondContact O-N 2.89Å
50E46.7Very low63.2Low167 Ų167108.6 Ų108.678%0.7855%0.549SS*.  trans-68.685.1166.5-73.1-170.2167.200108.3Q48 S52Q48-E50 PolarHBondContact O-N 3.26Å; Q48-E50 VanDerWaalsContact O-N 3.1Å; E50-S52 PolarHBondContact O-N 3.44Å; E50-S52 PolarHBondContact O-OG 2.95Å
51V43.8Very low60.6Low95 Ų95110.6 Ų110.658%0.57656%0.563SS**  trans-68.286.3177.8-157.60000109.2E49 F53E49-V51 HydrophobicContact CB-CG2 4.29Å; E49-V51 WeakPolarHBondContact O-CG2 3.48Å; E49-V51 PolarHBondContact O-N 2.89Å; V51-F53 VanDerWaalsContact C-N 3.29Å; V51-F53 HydrophobicContact CB-CD2 4.31Å; V51-F53 HydrophobicContact CB-CE2 4.18Å; V51-F53 HydrophobicContact CG1-CD2 3.68Å; V51-F53 HydrophobicContact CG1-CE2 3.24Å; V51-F53 HydrophobicContact CG1-CZ 3.75Å; V51-F53 PolarHBondContact O-N 2.74Å
52S42.1Very low58.3Low92 Ų92116.9 Ų116.964%0.64359%0.591SS**  trans-81.868.1-166.6-62.30000111.3E50 F54E50-S52 PolarHBondContact O-N 3.44Å; E50-S52 PolarHBondContact O-OG 2.95Å; S52-F54 PolarHBondContact O-N 2.79Å
53F46.8Very low55.5Low171 Ų171123.3 Ų123.375%0.7563%0.626SS**  trans-69.6-6.6-177.5-80.9-63.6000115.3V51V51-F53 VanDerWaalsContact C-N 3.29Å; V51-F53 HydrophobicContact CB-CD2 4.31Å; V51-F53 HydrophobicContact CB-CE2 4.18Å; V51-F53 HydrophobicContact CG1-CD2 3.68Å; V51-F53 HydrophobicContact CG1-CE2 3.24Å; V51-F53 HydrophobicContact CG1-CZ 3.75Å; V51-F53 PolarHBondContact O-N 2.74Å
54F45.7Very low53.2Low191 Ų191129.7 Ų129.784%0.83867%0.665SS**  trans-118.7110.5179.2-73.4-81.2000112.9S52 G56S52-F54 PolarHBondContact O-N 2.79Å; F54-G56 PolarHBondContact O-N 3.32Å
55H48.7Very low51.1Low201 Ų201137.4 Ų137.493%0.93170%0.704SS**  trans-69.889.8164.6-82.370.4000109.9
56G43.6Very low49.6Very low63 Ų63145.2 Ų145.265%0.64974%0.738SS**  trans-173.3107177.500000115F54F54-G56 PolarHBondContact O-N 3.32Å
57K40.5Very low48.5Very low200 Ų200150.8 Ų150.887%0.8775%0.753SS**  trans50.9102.2170-72.5-179.2175.3176.40116.6T59K57-T59 PolarHBondContact O-N 3.3Å
58K44.7Very low47.9Very low207 Ų207152.7 Ų152.790%0.977%0.765SS**  trans-63.197.4159-71.2-177.5177.6179.80110.1T60K58-T60 PolarHBondContact O-N 3.35Å; K58-T60 VanDerWaalsContact O-N 3.14Å
59T36.8Very low48.3Very low117 Ų117149.4 Ų149.472%0.71875%0.751SS**  trans-71.7102.5167-52.20000108.6K57 N61K57-T59 PolarHBondContact O-N 3.3Å; T59-N61 PolarHBondContact O-N 2.76Å
60T43Very low49.5Very low126 Ų126144.7 Ų144.777%0.77373%0.728SS**  trans-74.267.1179.749.30000112.2K58K58-T60 PolarHBondContact O-N 3.35Å; K58-T60 VanDerWaalsContact O-N 3.14Å
61N41.3Very low51.5Low137 Ų137139 Ų13973%0.73370%0.703SS**  trans-117.660.9164.8-82.2-18.7000109.2T59 N63T59-N61 PolarHBondContact O-N 2.76Å; N61-N63 PolarHBondContact O-N 2.81Å; N61-N63 VanDerWaalsContact O-N 3.13Å
62Q45.8Very low53.8Low180 Ų180137.2 Ų137.284%0.84169%0.69SS**  trans-70.2105.9170-74.5-173.8-11.100109.1V64Q62-V64 WeakPolarHBondContact O-CG2 3.49Å; Q62-V64 PolarHBondContact O-N 2.86Å
63N37.1Very low56.3Low135 Ų135140 Ų14072%0.72269%0.69SS**  trans-60.7109.9167-82.2-55.2000109.3N61 I65 K66N61-N63 PolarHBondContact O-N 2.81Å; N61-N63 VanDerWaalsContact O-N 3.13Å; N63-I65 PolarHBondContact O-N 3.07Å; N63-K66 PolarHBondContact O-N 2.81Å
64V45.5Very low58.6Low145 Ų145132.8 Ų132.888%0.87966%0.659SS**THydrogen-bonded Turntrans-67.213.3-174.7-175.10000113.3Q62Q62-V64 WeakPolarHBondContact O-CG2 3.49Å; Q62-V64 PolarHBondContact O-N 2.86Å
65I50.4Low61Low162 Ų162127.2 Ų127.283%0.83164%0.64SS**THydrogen-bonded Turntrans-121.317.5-174.2-30.9-179.1000112.5N63N63-I65 PolarHBondContact O-N 3.07Å
66K57.5Low63.3Low174 Ų174117.8 Ų117.876%0.75760%0.596SS**PPolyproline II helixtrans-86.4119.9164.8-77.1-170.1174.3-173.90109.7N63 Q68N63-K66 PolarHBondContact O-N 2.81Å; K66-Q68 PolarHBondContact O-N 2.76Å
67R60.4Low65.7Low157 Ų157117.8 Ų117.859%0.59258%0.582SS**PPolyproline II helixtrans-55.8132.7167.4-73.5-178.9175.2-173.8-1.1107.9Y339 D340R67-Y339 VanDerWaalsContact NH1-CE1 3.29Å; R67-D340 IonicContact CZ-OD1 2.63Å; R67-D340 IonicContact CZ-OD2 3.36Å; R67-D340 IonicContact NH1-OD1 3.53Å; R67-D340 PolarHBondContact NH1-OD1 3.2Å; R67-D340 IonicContact NH1-OD2 2.68Å; R67-D340 IonicContact NH2-OD1 3.84Å; R67-D340 IonicContact NH2-OD2 2.96Å; R67-D340 PolarHBondContact NH2-OD2 2.58Å
68Q67.3Low68.4Low178 Ų178108.9 Ų108.983%0.83255%0.546SS*.PPolyproline II helixtrans-67131.8173.1-69.1180-12.400109.9K66 K70K66-Q68 PolarHBondContact O-N 2.76Å; Q68-K70 PolarHBondContact O-N 2.91Å
69N75.1Confident70.9Confident64 Ų6499.5 Ų99.534%0.34251%0.505SS..PPolyproline II helixtrans-60.3128.4179-60.634.3000110D45 P46D45-N69 WeakPolarHBondContact OD2-CA 3.36Å; P46-N69 PolarHBondContact O-ND2 3.13Å
70K77.8Confident73.8Confident77 Ų7794.2 Ų94.234%0.33547%0.472SS..  trans-81.9-20.6-172.9-59.3176.9-176.6149.10114.8D45 Q68 L72 Y339D45-K70 HydrophobicContact CB-CB 4.37Å; D45-K70 PolarHBondContact OD2-N 2.92Å; Q68-K70 PolarHBondContact O-N 2.91Å; K70-L72 VanDerWaalsContact C-N 3.31Å; K70-L72 HydrophobicContact CB-CD1 3.9Å; K70-L72 HydrophobicContact CB-CD2 4.3Å; K70-L72 HydrophobicContact CB-CG 3.65Å; K70-L72 HydrophobicContact CD-CD1 3.97Å; K70-L72 WeakPolarHBondContact O-CD2 3.48Å; K70-L72 PolarHBondContact O-N 2.66Å; K70-Y339 WeakPolarHBondContact CD-OH 3.46Å; K70-Y339 WeakPolarHBondContact CE-OH 3.31Å; K70-Y339 PolarHBondContact NZ-OH 2.73Å
71D87.6Confident76.2Confident48 Ų4891 Ų9126%0.25745%0.451SS..  trans50.845.5176.4-162.625.1000113.6D45 K47D45-D71 WeakPolarHBondContact O-CA 3.42Å; D45-D71 PolarHBondContact O-N 3.04Å; K47-D71 HydrophobicContact CD-CB 4.35Å; K47-D71 WeakPolarHBondContact CD-OD2 3.49Å; K47-D71 VanDerWaalsContact CE-OD2 3.23Å; K47-D71 WeakPolarHBondContact CE-OD2 3.37Å; K47-D71 HydrophobicContact CG-CB 4.11Å; K47-D71 IonicContact NZ-OD2 2.68Å; K47-D71 PolarHBondContact NZ-OD2 3.36Å
72L91.7Very high78.6Confident56 Ų5686.9 Ų86.929%0.29343%0.427SS..EExtended strand (participates in β ladder)trans-90.1113.3-169.9-63.1178.9000111.3V43 F44 K70 F74 Y343V43-L72 WeakPolarHBondContact CA-O 3.14Å; F44-L72 HydrophobicContact CB-CB 4.46Å; F44-L72 PolarHBondContact N-O 2.77Å; F44-L72 PolarHBondContact O-N 3.47Å; K70-L72 VanDerWaalsContact C-N 3.31Å; K70-L72 HydrophobicContact CB-CD1 3.9Å; K70-L72 HydrophobicContact CB-CD2 4.3Å; K70-L72 HydrophobicContact CB-CG 3.65Å; K70-L72 HydrophobicContact CD-CD1 3.97Å; K70-L72 WeakPolarHBondContact O-CD2 3.48Å; K70-L72 PolarHBondContact O-N 2.66Å; L72-F74 HydrophobicContact CB-CD2 4.48Å; L72-F74 HydrophobicContact CB-CE2 3.87Å; L72-F74 HydrophobicContact CB-CZ 4.45Å; L72-Y343 HydrophobicContact CD1-CD2 4.1Å; L72-Y343 HydrophobicContact CD1-CE2 3.49Å; L72-Y343 VanDerWaalsContact CD1-CE2 3.49Å
73K94.1Very high80.9Confident150 Ų15083.7 Ų83.765%0.65242%0.42SS*.EExtended strand (participates in β ladder)trans-86.3127.8175.1-45.8-162.1176.9-176.30110.1V43V43-K73 HydrophobicContact CG2-CD 4.46Å; V43-K73 HydrophobicContact CG2-CG 4.12Å
74F95.8Very high83.6Confident20 Ų2077.9 Ų77.99%0.08839%0.39CS..EExtended strand (participates in β ladder)trans-118146.1174.1-66.5-89.1000110I41 L42 F44 L72 F76 Y343 L346 N350I41-F74 WeakPolarHBondContact CA-O 3.17Å; L42-F74 HydrophobicContact CD2-CD2 4.49Å; L42-F74 PolarHBondContact N-O 2.69Å; L42-F74 PolarHBondContact O-N 3.36Å; F44-F74 HydrophobicContact CB-CD2 4.27Å; F44-F74 HydrophobicContact CB-CE2 3.91Å; L72-F74 HydrophobicContact CB-CD2 4.48Å; L72-F74 HydrophobicContact CB-CE2 3.87Å; L72-F74 HydrophobicContact CB-CZ 4.45Å; F74-F76 HydrophobicContact CB-CD2 4.18Å; F74-F76 HydrophobicContact CB-CE2 3.33Å; F74-F76 HydrophobicContact CB-CZ 3.75Å; F74-F76 HydrophobicContact CD1-CZ 4.21Å; F74-F76 HydrophobicContact CG-CE2 4.18Å; F74-F76 HydrophobicContact CG-CZ 4.23Å; F74-Y343 HydrophobicContact CZ-CD2 4.49Å; F74-Y343 HydrophobicContact CZ-CE2 4.41Å; F74-L346 HydrophobicContact CD1-CB 4.33Å; F74-L346 HydrophobicContact CD2-CB 4.18Å; F74-L346 HydrophobicContact CD2-CD1 4.1Å; F74-L346 HydrophobicContact CE1-CB 4.09Å; F74-L346 HydrophobicContact CE2-CB 3.93Å; F74-L346 HydrophobicContact CE2-CD1 4.02Å; F74-L346 HydrophobicContact CG-CB 4.38Å; F74-L346 HydrophobicContact CZ-CB 3.88Å; F74-N350 HydrophobicContact CD1-CB 4.09Å; F74-N350 HydrophobicContact CE1-CB 4.36Å
75V96.1Very high86Confident74 Ų7474.5 Ų74.545%0.44837%0.37SS..EExtended strand (participates in β ladder)trans-128.9112-175.7-171.70000111.1H40 I41 K353H40-V75 WeakPolarHBondContact O-CA 3.49Å; I41-V75 HydrophobicContact CG1-CG1 4.45Å; I41-V75 HydrophobicContact CG1-CG2 4.26Å; V75-K353 PolarHBondContact O-NZ 3.37Å
76F96.8Very high88.1Confident3 Ų367.2 Ų67.21%0.01333%0.332CS..  trans-112.8173.2-174.2-62.8-71.8000111.9V14 V16 H40 F74 A78 V79 L346 A349 N350V14-F76 HydrophobicContact CB-CD1 4.24Å; V14-F76 HydrophobicContact CG1-CD1 3.65Å; V14-F76 HydrophobicContact CG1-CE1 4Å; V16-F76 HydrophobicContact CB-CD2 4.25Å; V16-F76 HydrophobicContact CG2-CB 4.41Å; V16-F76 HydrophobicContact CG2-CD1 3.95Å; V16-F76 HydrophobicContact CG2-CD2 3.35Å; V16-F76 HydrophobicContact CG2-CE1 4.01Å; V16-F76 HydrophobicContact CG2-CE2 3.4Å; V16-F76 HydrophobicContact CG2-CG 3.63Å; V16-F76 HydrophobicContact CG2-CZ 3.74Å; H40-F76 PolarHBondContact O-N 3.18Å; F74-F76 HydrophobicContact CB-CD2 4.18Å; F74-F76 HydrophobicContact CB-CE2 3.33Å; F74-F76 HydrophobicContact CB-CZ 3.75Å; F74-F76 HydrophobicContact CD1-CZ 4.21Å; F74-F76 HydrophobicContact CG-CE2 4.18Å; F74-F76 HydrophobicContact CG-CZ 4.23Å; F76-A78 VanDerWaalsContact C-N 3.3Å; F76-V79 HydrophobicContact CB-CG2 4.12Å; F76-V79 HydrophobicContact CD2-CG2 4.06Å; F76-L346 HydrophobicContact CE2-CD2 3.94Å; F76-L346 HydrophobicContact CZ-CD2 4.08Å; F76-A349 HydrophobicContact CE1-CB 3.71Å; F76-A349 HydrophobicContact CZ-CB 4.19Å; F76-N350 HydrophobicContact CE1-CB 4.31Å
77D95.4Very high89.8Confident63 Ų6362 Ų6234%0.33732%0.317SS..SBendtrans-76.4-23177.8-56.9-68.3000112K13 V14 H40K13-D77 WeakPolarHBondContact CA-OD2 3.33Å; V14-D77 PolarHBondContact N-OD2 2.89Å; V14-D77 WeakPolarHBondContact O-CB 3.24Å; V14-D77 PolarHBondContact O-N 2.92Å; H40-D77 PolarHBondContact CD2-O 3.37Å
78A96.2Very high91.5Very high14 Ų1457.2 Ų57.212%0.11630%0.302CS..EExtended strand (participates in β ladder)trans-156.6157.1159.700000110.5V15 V16 K39 F76V15-A78 WeakPolarHBondContact CA-O 3.42Å; V15-A78 HydrophobicContact CB-CB 4.48Å; V15-A78 HydrophobicContact CG1-CB 3.74Å; V15-A78 HydrophobicContact CG2-CB 4.13Å; V16-A78 PolarHBondContact N-O 3.39Å; K39-A78 CarbonylContact O-C 3.57Å; K39-A78 VanDerWaalsContact O-CA 3.25Å; K39-A78 WeakPolarHBondContact O-CA 3.07Å; F76-A78 VanDerWaalsContact C-N 3.3Å
79V97.2Very high92.8Very high9 Ų948.7 Ų48.76%0.05526%0.262CS..EExtended strand (participates in β ladder)trans-132.4121.4172.4-178.50000108.1V16 V36 K39 H40 L42 F76V16-V79 HydrophobicContact CB-CG2 4.47Å; V16-V79 WeakPolarHBondContact O-CA 3.44Å; V36-V79 HydrophobicContact CB-CG1 4.33Å; V36-V79 HydrophobicContact CG1-CB 4.39Å; V36-V79 HydrophobicContact CG1-CG1 3.7Å; V36-V79 HydrophobicContact CG2-CG1 3.73Å; K39-V79 PolarHBondContact O-N 2.8Å; H40-V79 VanDerWaalsContact C-CG2 3.5Å; H40-V79 WeakPolarHBondContact O-CG2 3.1Å; L42-V79 HydrophobicContact CB-CG1 4.19Å; L42-V79 HydrophobicContact CB-CG2 4.3Å; L42-V79 HydrophobicContact CD1-CG1 4Å; F76-V79 HydrophobicContact CB-CG2 4.12Å; F76-V79 HydrophobicContact CD2-CG2 4.06Å
80F96.8Very high93.8Very high6 Ų646.2 Ų46.23%0.02625%0.248CC..EExtended strand (participates in β ladder)trans-98.8132.7172.4-59.9-61.8000109.5V15 V16 R17 V18 E88 V89 H92 T93V15-F80 HydrophobicContact CG1-CD2 3.62Å; V15-F80 HydrophobicContact CG1-CE2 3.21Å; V15-F80 HydrophobicContact CG1-CZ 4.02Å; V16-F80 PolarHBondContact O-N 3.37Å; R17-F80 HydrophobicContact CB-CB 4.26Å; R17-F80 HydrophobicContact CB-CD2 4.31Å; R17-F80 HydrophobicContact CG-CB 4Å; V18-F80 PolarHBondContact N-O 2.98Å; F80-E88 HydrophobicContact CD1-CG 4.4Å; F80-E88 HydrophobicContact CE1-CG 4.09Å; F80-V89 HydrophobicContact CD1-CG2 4.22Å; F80-V89 HydrophobicContact CD2-CB 4.47Å; F80-V89 HydrophobicContact CD2-CG1 4.36Å; F80-V89 HydrophobicContact CD2-CG2 3.74Å; F80-V89 HydrophobicContact CE1-CG2 4.37Å; F80-V89 HydrophobicContact CE2-CB 4.09Å; F80-V89 HydrophobicContact CE2-CG1 3.87Å; F80-V89 HydrophobicContact CE2-CG2 3.84Å; F80-V89 HydrophobicContact CG-CG2 3.92Å; F80-V89 HydrophobicContact CZ-CB 4.29Å; F80-V89 HydrophobicContact CZ-CG1 4.44Å; F80-V89 HydrophobicContact CZ-CG2 4.2Å; F80-H92 HydrophobicContact CE1-CB 4.08Å; F80-H92 HydrophobicContact CZ-CB 3.75Å; F80-T93 HydrophobicContact CE2-CG2 4.02Å; F80-T93 HydrophobicContact CZ-CG2 4.29Å
81D94.6Very high94.6Very high59 Ų5946.8 Ų46.832%0.31625%0.252SS..  trans-90-173.5179.270.523.5000112.1V18 V36 T83 S84V18-D81 CarbonylContact O-C 3.01Å; V18-D81 VanDerWaalsContact O-O 3.07Å; V36-D81 HydrophobicContact CB-CB 4.14Å; V36-D81 HydrophobicContact CG1-CB 4.32Å; V36-D81 HydrophobicContact CG2-CB 3.94Å; D81-T83 PolarHBondContact O-N 3.08Å; D81-T83 WeakPolarHBondContact OD1-CA 3.48Å; D81-T83 WeakPolarHBondContact OD1-CB 3.35Å; D81-T83 PolarHBondContact OD1-N 3.32Å; D81-T83 PolarHBondContact OD1-OG1 2.93Å; D81-S84 PolarHBondContact N-OG 3.02Å; D81-S84 PolarHBondContact O-N 3.35Å; D81-S84 PolarHBondContact OD1-N 3.08Å
82E92.1Very high94.8Very high51 Ų5149.6 Ų49.624%0.23826%0.263CS..THydrogen-bonded Turntrans-64.5-15.7-179.7-64.1176.9-135.900113.9V18 P20 K32V18-E82 HydrophobicContact CG1-CG 3.95Å; P20-E82 HydrophobicContact CB-CB 4.15Å; P20-E82 WeakPolarHBondContact CD-O 3.28Å; K32-E82 WeakPolarHBondContact CE-OE1 3.43Å; K32-E82 IonicContact NZ-OE1 2.7Å; K32-E82 PolarHBondContact NZ-OE1 2.64Å; K32-E82 IonicContact NZ-OE2 2.59Å; K32-E82 PolarHBondContact NZ-OE2 3.44Å
83T93.8Very high94.8Very high113 Ų11347 Ų4769%0.69325%0.25SC*.THydrogen-bonded Turntrans-97.9-15.6-179.674.80000113.2D81 T85D81-T83 PolarHBondContact O-N 3.08Å; D81-T83 WeakPolarHBondContact OD1-CA 3.48Å; D81-T83 WeakPolarHBondContact OD1-CB 3.35Å; D81-T83 PolarHBondContact OD1-N 3.32Å; D81-T83 PolarHBondContact OD1-OG1 2.93Å; T83-T85 PolarHBondContact O-N 3.42Å
84S94.4Very high94.7Very high12 Ų1239.8 Ų39.88%0.08422%0.219CC..  trans-64.7119.9-175.7-680000114.1R17 D81 E88R17-S84 PolarHBondContact NH2-O 3.05Å; R17-S84 VanDerWaalsContact NH2-O 3.11Å; D81-S84 PolarHBondContact N-OG 3.02Å; D81-S84 PolarHBondContact O-N 3.35Å; D81-S84 PolarHBondContact OD1-N 3.08Å; S84-E88 WeakPolarHBondContact CA-OE2 3.35Å; S84-E88 VanDerWaalsContact CB-OE2 3.31Å; S84-E88 WeakPolarHBondContact CB-OE2 3.24Å; S84-E88 PolarHBondContact OG-OE2 3.39Å
85T94.5Very high94.5Very high75 Ų7542.2 Ų42.246%0.4623%0.229SC..  trans-73.6161.3-175.868.80000113.1T83 S87 E88 V89T83-T85 PolarHBondContact O-N 3.42Å; T85-S87 PolarHBondContact O-N 3.08Å; T85-E88 PolarHBondContact O-N 2.89Å; T85-E88 PolarHBondContact OG1-N 2.73Å; T85-V89 WeakPolarHBondContact O-CG2 3.29Å; T85-V89 PolarHBondContact O-N 3.26Å; T85-V89 VanDerWaalsContact O-N 3.15Å
86Q94.5Very high94.3Very high8 Ų841.6 Ų41.64%0.03723%0.227CC..Hα-helixtrans-55.9-38.5172.6-58.4-75.269.600112.9R17 V89 F90 H121 G125 E129 P130R17-Q86 VanDerWaalsContact CZ-OE1 3.3Å; Q86-V89 PolarHBondContact O-N 3.18Å; Q86-F90 PolarHBondContact O-N 2.73Å; Q86-H121 PolarHBondContact NE2-O 3.27Å; Q86-H121 PolarHBondContact OE1-ND1 3.13Å; Q86-G125 VanDerWaalsContact NE2-CA 3.32Å; Q86-E129 HydrophobicContact CG-CB 3.84Å; Q86-E129 PolarHBondContact NE2-O 2.78Å; Q86-P130 WeakPolarHBondContact CB-O 3.4Å
87S94.3Very high94.1Very high64 Ų6441.6 Ų41.645%0.44823%0.227SC..Hα-helixtrans-63.7-50.9-180-168.90000110.7T85 V89 F90 E91T85-S87 PolarHBondContact O-N 3.08Å; S87-V89 VanDerWaalsContact C-N 3.29Å; S87-V89 PolarHBondContact O-N 3.49Å; S87-F90 WeakPolarHBondContact O-CA 3.09Å; S87-F90 WeakPolarHBondContact O-CB 3.49Å; S87-F90 PolarHBondContact O-N 2.91Å; S87-E91 WeakPolarHBondContact O-CG 3.2Å; S87-E91 PolarHBondContact O-N 2.71Å
88E94.8Very high93.9Very high57 Ų5738.8 Ų38.827%0.26621%0.212SC..Hα-helixtrans-56-44177.3-174.5-177.9-163.500111.7F80 S84 T85 F90 E91 H92F80-E88 HydrophobicContact CD1-CG 4.4Å; F80-E88 HydrophobicContact CE1-CG 4.09Å; S84-E88 WeakPolarHBondContact CA-OE2 3.35Å; S84-E88 VanDerWaalsContact CB-OE2 3.31Å; S84-E88 WeakPolarHBondContact CB-OE2 3.24Å; S84-E88 PolarHBondContact OG-OE2 3.39Å; T85-E88 PolarHBondContact O-N 2.89Å; T85-E88 PolarHBondContact OG1-N 2.73Å; E88-F90 PolarHBondContact O-N 2.69Å; E88-E91 PolarHBondContact O-N 3.42Å; E88-H92 PolarHBondContact O-N 3.49Å; E88-H92 VanDerWaalsContact O-N 3.07Å
89V95.4Very high93.7Very high0 Ų047.3 Ų47.30%024%0.241CC..Hα-helixtrans-60.3-44.9175.4177.80000111.3F80 T85 Q86 S87 T93 T122 V132F80-V89 HydrophobicContact CD1-CG2 4.22Å; F80-V89 HydrophobicContact CD2-CB 4.47Å; F80-V89 HydrophobicContact CD2-CG1 4.36Å; F80-V89 HydrophobicContact CD2-CG2 3.74Å; F80-V89 HydrophobicContact CE1-CG2 4.37Å; F80-V89 HydrophobicContact CE2-CB 4.09Å; F80-V89 HydrophobicContact CE2-CG1 3.87Å; F80-V89 HydrophobicContact CE2-CG2 3.84Å; F80-V89 HydrophobicContact CG-CG2 3.92Å; F80-V89 HydrophobicContact CZ-CB 4.29Å; F80-V89 HydrophobicContact CZ-CG1 4.44Å; F80-V89 HydrophobicContact CZ-CG2 4.2Å; T85-V89 WeakPolarHBondContact O-CG2 3.29Å; T85-V89 PolarHBondContact O-N 3.26Å; T85-V89 VanDerWaalsContact O-N 3.15Å; Q86-V89 PolarHBondContact O-N 3.18Å; S87-V89 VanDerWaalsContact C-N 3.29Å; S87-V89 PolarHBondContact O-N 3.49Å; V89-T93 HydrophobicContact CG1-CG2 4.29Å; V89-T93 VanDerWaalsContact O-CB 3.28Å; V89-T93 WeakPolarHBondContact O-CB 3.44Å; V89-T93 VanDerWaalsContact O-CG2 3.26Å; V89-T93 WeakPolarHBondContact O-CG2 3.44Å; V89-T93 PolarHBondContact O-N 2.82Å; V89-T93 PolarHBondContact O-OG1 3.34Å; V89-T122 HydrophobicContact CG1-CG2 3.84Å; V89-V132 HydrophobicContact CG1-CG2 3.95Å
90F96Very high93.4Very high11 Ų1148 Ų485%0.04825%0.246CC..Hα-helixtrans-64-44177165.8-105000112.7Q86 S87 E88 H92 T93 T94 K95 L98 L135 H139Q86-F90 PolarHBondContact O-N 2.73Å; S87-F90 WeakPolarHBondContact O-CA 3.09Å; S87-F90 WeakPolarHBondContact O-CB 3.49Å; S87-F90 PolarHBondContact O-N 2.91Å; E88-F90 PolarHBondContact O-N 2.69Å; F90-H92 PolarHBondContact O-N 2.85Å; F90-T93 PolarHBondContact O-N 3.21Å; F90-T94 PolarHBondContact O-N 2.73Å; F90-K95 HydrophobicContact CD1-CB 4.38Å; F90-K95 HydrophobicContact CE1-CB 3.9Å; F90-K95 HydrophobicContact CE1-CD 4.13Å; F90-K95 HydrophobicContact CE1-CG 4.09Å; F90-K95 HydrophobicContact CE2-CB 4.27Å; F90-K95 HydrophobicContact CZ-CB 3.83Å; F90-K95 HydrophobicContact CZ-CG 4.17Å; F90-K95 WeakPolarHBondContact O-CB 3.05Å; F90-K95 PolarHBondContact O-N 2.8Å; F90-L98 HydrophobicContact CE2-CD1 4.33Å; F90-L98 HydrophobicContact CZ-CD1 4.26Å; F90-L135 HydrophobicContact CB-CB 4.23Å; F90-L135 HydrophobicContact CB-CD1 3.62Å; F90-L135 HydrophobicContact CD1-CB 4.04Å; F90-L135 HydrophobicContact CD1-CD1 4.29Å; F90-L135 HydrophobicContact CD2-CB 3.75Å; F90-L135 HydrophobicContact CE1-CB 4.38Å; F90-L135 HydrophobicContact CE2-CB 4.12Å; F90-L135 HydrophobicContact CG-CB 3.71Å; F90-L135 HydrophobicContact CG-CD1 3.96Å; F90-L135 HydrophobicContact CG-CG 4.48Å; F90-L135 HydrophobicContact CZ-CB 4.42Å; F90-H139 HydrophobicContact CE1-CB 4.41Å; F90-H139 AromaticContact CE1-CD2 3.81Å; F90-H139 HydrophobicContact CZ-CB 3.71Å; F90-H139 AromaticContact CZ-CD2 3.71Å; F90-H139 AromaticContact CZ-CG 3.88Å
91E94.8Very high93.3Very high89 Ų8947.7 Ų47.742%0.41625%0.245SC..Hα-helixtrans-62.6-40.3-178.6-62.7-136.1120.600112.6S87 E88 K95 P96S87-E91 WeakPolarHBondContact O-CG 3.2Å; S87-E91 PolarHBondContact O-N 2.71Å; E88-E91 PolarHBondContact O-N 3.42Å; E91-K95 HydrophobicContact CB-CD 4.3Å; E91-K95 HydrophobicContact CG-CD 4.21Å; E91-K95 IonicContact OE1-NZ 2.58Å; E91-K95 PolarHBondContact OE1-NZ 3.49Å; E91-P96 WeakPolarHBondContact O-CD 3.33Å
92H90.9Very high93.2Very high107 Ų10746 Ų4650%0.49524%0.235SC..Hα-helixtrans-87.7-18.4-179.5-80.2-79000114.2F80 E88 F90F80-H92 HydrophobicContact CE1-CB 4.08Å; F80-H92 HydrophobicContact CZ-CB 3.75Å; E88-H92 PolarHBondContact O-N 3.49Å; E88-H92 VanDerWaalsContact O-N 3.07Å; F90-H92 PolarHBondContact O-N 2.85Å
93T92.4Very high93Very high1 Ų147.3 Ų47.31%0.00624%0.244CC..Hα-helixtrans-102.9-66.1179.763.40000113.7V15 F80 V89 F90 I97 I327 I329V15-T93 HydrophobicContact CB-CG2 4.39Å; V15-T93 HydrophobicContact CG1-CG2 4.22Å; V15-T93 HydrophobicContact CG2-CG2 4.27Å; F80-T93 HydrophobicContact CE2-CG2 4.02Å; F80-T93 HydrophobicContact CZ-CG2 4.29Å; V89-T93 HydrophobicContact CG1-CG2 4.29Å; V89-T93 VanDerWaalsContact O-CB 3.28Å; V89-T93 WeakPolarHBondContact O-CB 3.44Å; V89-T93 VanDerWaalsContact O-CG2 3.26Å; V89-T93 WeakPolarHBondContact O-CG2 3.44Å; V89-T93 PolarHBondContact O-N 2.82Å; V89-T93 PolarHBondContact O-OG1 3.34Å; F90-T93 PolarHBondContact O-N 3.21Å; T93-I97 WeakPolarHBondContact O-CD1 3.47Å; T93-I97 WeakPolarHBondContact O-CG1 3.3Å; T93-I327 WeakPolarHBondContact O-CD1 3.35Å; T93-I329 HydrophobicContact CG2-CD1 4.09Å; T93-I329 HydrophobicContact CG2-CG1 4.32Å
94T91.4Very high92.9Very high0 Ų041.9 Ų41.90%021%0.211CC..Hα-helixtrans-104.2-27.6-162.4-49.80000113.2F90 P96 I97 L98 V109 V132 T136F90-T94 PolarHBondContact O-N 2.73Å; T94-P96 VanDerWaalsContact C-CD 3.46Å; T94-P96 VanDerWaalsContact C-N 3.32Å; T94-I97 HydrophobicContact CG2-CD1 4.42Å; T94-I97 WeakPolarHBondContact O-CB 3.03Å; T94-I97 PolarHBondContact O-N 3.34Å; T94-L98 PolarHBondContact O-N 3.49Å; T94-V109 HydrophobicContact CG2-CG2 4.1Å; T94-V132 HydrophobicContact CG2-CG1 4.45Å; T94-V132 WeakPolarHBondContact OG1-CG1 3.11Å; T94-T136 HydrophobicContact CG2-CG2 3.73Å; T94-T136 WeakPolarHBondContact CG2-OG1 3.26Å
95K93.1Very high92.8Very high70 Ų7044.6 Ų44.630%0.30422%0.22SC..Hα-helixtrans-53.2-39.6171.3-167.1-178.2-175.4-175.20113.2F90 E91 H139F90-K95 HydrophobicContact CD1-CB 4.38Å; F90-K95 HydrophobicContact CE1-CB 3.9Å; F90-K95 HydrophobicContact CE1-CD 4.13Å; F90-K95 HydrophobicContact CE1-CG 4.09Å; F90-K95 HydrophobicContact CE2-CB 4.27Å; F90-K95 HydrophobicContact CZ-CB 3.83Å; F90-K95 HydrophobicContact CZ-CG 4.17Å; F90-K95 WeakPolarHBondContact O-CB 3.05Å; F90-K95 PolarHBondContact O-N 2.8Å; E91-K95 HydrophobicContact CB-CD 4.3Å; E91-K95 HydrophobicContact CG-CD 4.21Å; E91-K95 IonicContact OE1-NZ 2.58Å; E91-K95 PolarHBondContact OE1-NZ 3.49Å; K95-H139 WeakPolarHBondContact CE-NE2 3.44Å
96P91.4Very high92.7Very high62 Ų6242 Ų4240%0.40320%0.203SC..Hα-helixtrans-70.8-36.4173.9-1934.4000113.1E91 T94 L98 R99E91-P96 WeakPolarHBondContact O-CD 3.33Å; T94-P96 VanDerWaalsContact C-CD 3.46Å; T94-P96 VanDerWaalsContact C-N 3.32Å; P96-L98 VanDerWaalsContact C-N 3.33Å; P96-L98 PolarHBondContact O-N 2.73Å; P96-R99 PolarHBondContact O-N 3.35Å
97I91.3Very high92.8Very high3 Ų341.6 Ų41.62%0.01520%0.201CC..Hα-helixtrans-65.9-35179.8-55.4171000111.4T93 T94 R99 S100 F101 C107 V109 M254 I327T93-I97 WeakPolarHBondContact O-CD1 3.47Å; T93-I97 WeakPolarHBondContact O-CG1 3.3Å; T94-I97 HydrophobicContact CG2-CD1 4.42Å; T94-I97 WeakPolarHBondContact O-CB 3.03Å; T94-I97 PolarHBondContact O-N 3.34Å; I97-R99 PolarHBondContact O-N 3.08Å; I97-R99 VanDerWaalsContact O-N 3.13Å; I97-S100 WeakPolarHBondContact O-CA 3.02Å; I97-S100 VanDerWaalsContact O-CB 3.31Å; I97-S100 WeakPolarHBondContact O-CB 3.08Å; I97-S100 PolarHBondContact O-N 2.8Å; I97-F101 PolarHBondContact O-N 3.07Å; I97-C107 HydrophobicContact CG2-CB 3.46Å; I97-C107 VanDerWaalsContact CG2-CB 3.46Å; I97-C107 WeakPolarHBondContact CG2-SG 3.48Å; I97-V109 HydrophobicContact CD1-CG2 3.53Å; I97-M254 HydrophobicContact CG2-CE 4.07Å; I97-I327 HydrophobicContact CD1-CB 4.17Å; I97-I327 HydrophobicContact CD1-CD1 3.56Å; I97-I327 HydrophobicContact CD1-CG1 3.55Å; I97-I327 HydrophobicContact CG1-CD1 3.88Å; I97-I327 HydrophobicContact CG1-CG1 4.22Å
98L92.9Very high92.9Very high4 Ų438.6 Ų38.62%0.02118%0.18CC..Hα-helixtrans-54.4-33.5178.4-81.5170.9000112.5F90 T94 P96 F101 L102 T136 H139 L140 M254F90-L98 HydrophobicContact CE2-CD1 4.33Å; F90-L98 HydrophobicContact CZ-CD1 4.26Å; T94-L98 PolarHBondContact O-N 3.49Å; P96-L98 VanDerWaalsContact C-N 3.33Å; P96-L98 PolarHBondContact O-N 2.73Å; L98-F101 HydrophobicContact CD2-CD1 4.44Å; L98-F101 PolarHBondContact O-N 3.46Å; L98-L102 WeakPolarHBondContact O-CB 3.17Å; L98-L102 WeakPolarHBondContact O-CD1 3.19Å; L98-L102 VanDerWaalsContact O-CG 3.24Å; L98-L102 WeakPolarHBondContact O-CG 3.17Å; L98-L102 PolarHBondContact O-N 3.46Å; L98-T136 HydrophobicContact CD1-CG2 4.23Å; L98-T136 HydrophobicContact CD2-CG2 3.88Å; L98-T136 HydrophobicContact CG-CG2 4.2Å; L98-H139 HydrophobicContact CD1-CB 3.91Å; L98-L140 HydrophobicContact CD2-CB 3.94Å; L98-L140 HydrophobicContact CD2-CD1 4.06Å; L98-M254 HydrophobicContact CD2-CE 3.98Å
99R91Very high93Very high192 Ų19235.9 Ų35.973%0.72517%0.168SC*.Hα-helixtrans-66-40.8173.7-64.4-179.2177168-1.6112.3P96 I97 N103P96-R99 PolarHBondContact O-N 3.35Å; I97-R99 PolarHBondContact O-N 3.08Å; I97-R99 VanDerWaalsContact O-N 3.13Å; R99-N103 WeakPolarHBondContact O-CB 2.99Å; R99-N103 PolarHBondContact O-N 3.43Å; R99-N103 VanDerWaalsContact O-N 3.14Å; R99-N103 PolarHBondContact O-ND2 2.97Å
100S91.4Very high93Very high24 Ų2436.1 Ų36.117%0.16817%0.169CC..Hα-helixtrans-64.1-41.5173.1-510000111.6I97 N103 G104 Y105 Q325I97-S100 WeakPolarHBondContact O-CA 3.02Å; I97-S100 VanDerWaalsContact O-CB 3.31Å; I97-S100 WeakPolarHBondContact O-CB 3.08Å; I97-S100 PolarHBondContact O-N 2.8Å; S100-N103 CarbonylContact O-C 3.45Å; S100-N103 WeakPolarHBondContact O-CA 3.44Å; S100-N103 WeakPolarHBondContact O-CB 3.47Å; S100-N103 PolarHBondContact O-N 3.33Å; S100-G104 PolarHBondContact O-N 3.34Å; S100-Y105 WeakPolarHBondContact O-CB 3.44Å; S100-Y105 WeakPolarHBondContact O-CD2 3.5Å; S100-Y105 PolarHBondContact O-N 3.42Å; S100-Y105 VanDerWaalsContact O-N 3.08Å; S100-Q325 PolarHBondContact OG-OE1 3.05Å
101F94.2Very high93Very high0 Ų035.6 Ų35.60%017%0.167CC..Hα-helixtrans-61.2-46.2177.7-176.3-120.7000112I97 L98 N103 G104 L140 I234 L236 A252 M254I97-F101 PolarHBondContact O-N 3.07Å; L98-F101 HydrophobicContact CD2-CD1 4.44Å; L98-F101 PolarHBondContact O-N 3.46Å; F101-N103 PolarHBondContact O-N 3.46Å; F101-G104 PolarHBondContact O-N 3.01Å; F101-G104 VanDerWaalsContact O-N 3.08Å; F101-L140 HydrophobicContact CD1-CD1 3.87Å; F101-L140 HydrophobicContact CE1-CD1 3.8Å; F101-L140 HydrophobicContact CE1-CD2 3.93Å; F101-I234 HydrophobicContact CE1-CG2 4.47Å; F101-I234 HydrophobicContact CZ-CB 4.38Å; F101-I234 HydrophobicContact CZ-CG2 4.16Å; F101-L236 HydrophobicContact CD1-CD2 4.12Å; F101-L236 HydrophobicContact CE1-CB 3.62Å; F101-L236 HydrophobicContact CE1-CD2 3.87Å; F101-L236 HydrophobicContact CE1-CG 4.35Å; F101-L236 HydrophobicContact CE2-CB 4.11Å; F101-L236 HydrophobicContact CZ-CB 3.37Å; F101-L236 HydrophobicContact CZ-CD2 4.41Å; F101-A252 HydrophobicContact CD2-CB 3.4Å; F101-A252 VanDerWaalsContact CD2-CB 3.4Å; F101-A252 HydrophobicContact CE2-CB 3.45Å; F101-A252 VanDerWaalsContact CE2-CB 3.45Å; F101-A252 WeakPolarHBondContact CE2-O 3.49Å; F101-A252 HydrophobicContact CG-CB 4.32Å; F101-A252 HydrophobicContact CZ-CB 4.43Å; F101-A252 WeakPolarHBondContact O-CB 3.15Å; F101-M254 HydrophobicContact CB-CE 3.81Å; F101-M254 HydrophobicContact CD1-CE 4.11Å; F101-M254 HydrophobicContact CD2-CB 3.74Å; F101-M254 HydrophobicContact CD2-CE 4.33Å; F101-M254 HydrophobicContact CE1-CB 4.34Å; F101-M254 HydrophobicContact CE2-CB 3.49Å; F101-M254 VanDerWaalsContact CE2-CB 3.49Å; F101-M254 VanDerWaalsContact CE2-N 3.26Å; F101-M254 HydrophobicContact CG-CB 4.3Å; F101-M254 HydrophobicContact CG-CE 3.84Å; F101-M254 HydrophobicContact CZ-CB 3.8Å
102L91.8Very high93.1Very high22 Ų2232.4 Ų32.412%0.11515%0.151CC..THydrogen-bonded Turntrans-67.2-9.9172-65.1166000113.9L98 L140 C143 I147 L236 Q238L98-L102 WeakPolarHBondContact O-CB 3.17Å; L98-L102 WeakPolarHBondContact O-CD1 3.19Å; L98-L102 VanDerWaalsContact O-CG 3.24Å; L98-L102 WeakPolarHBondContact O-CG 3.17Å; L98-L102 PolarHBondContact O-N 3.46Å; L102-L140 HydrophobicContact CD2-CD1 4.31Å; L102-C143 HydrophobicContact CD1-CB 3.7Å; L102-I147 HydrophobicContact CD2-CD1 4.04Å; L102-L236 HydrophobicContact CD2-CD2 3.76Å; L102-Q238 PolarHBondContact O-OE1 3.14Å
103N89.9Confident93.2Very high79 Ų7927.3 Ų27.342%0.42213%0.127SC..THydrogen-bonded Turntrans-100.49.1173.1-78.7-31.4000113.2R99 S100 F101 Y105 R250 S361R99-N103 WeakPolarHBondContact O-CB 2.99Å; R99-N103 PolarHBondContact O-N 3.43Å; R99-N103 VanDerWaalsContact O-N 3.14Å; R99-N103 PolarHBondContact O-ND2 2.97Å; S100-N103 CarbonylContact O-C 3.45Å; S100-N103 WeakPolarHBondContact O-CA 3.44Å; S100-N103 WeakPolarHBondContact O-CB 3.47Å; S100-N103 PolarHBondContact O-N 3.33Å; F101-N103 PolarHBondContact O-N 3.46Å; N103-Y105 HydrophobicContact CB-CD2 3.97Å; N103-Y105 HydrophobicContact CB-CE2 4.04Å; N103-R250 PolarHBondContact OD1-NH1 3.23Å; N103-S361 PolarHBondContact O-OG 3.5Å
104G90.5Very high93.2Very high0 Ų027.5 Ų27.50%013%0.129CC..THydrogen-bonded Turntrans88.57.6175.600000115S100 F101 N362S100-G104 PolarHBondContact O-N 3.34Å; F101-G104 PolarHBondContact O-N 3.01Å; F101-G104 VanDerWaalsContact O-N 3.08Å; G104-N362 WeakPolarHBondContact O-CB 3.37Å; G104-N362 PolarHBondContact O-N 3.34Å; G104-N362 PolarHBondContact O-ND2 2.85Å
105Y92.3Very high93.1Very high68 Ų6829.7 Ų29.727%0.26714%0.142SC..  trans-85.3139.3176.6-63.9-85.2000111.5S100 N103 C107 L359S100-Y105 WeakPolarHBondContact O-CB 3.44Å; S100-Y105 WeakPolarHBondContact O-CD2 3.5Å; S100-Y105 PolarHBondContact O-N 3.42Å; S100-Y105 VanDerWaalsContact O-N 3.08Å; N103-Y105 HydrophobicContact CB-CD2 3.97Å; N103-Y105 HydrophobicContact CB-CE2 4.04Å; Y105-C107 PolarHBondContact O-SG 3.01Å; Y105-C107 VanDerWaalsContact O-SG 3.32Å; Y105-L359 HydrophobicContact CD1-CB 4.11Å; Y105-L359 HydrophobicContact CE1-CB 4.12Å
106N93.6Very high92.8Very high20 Ų2028.5 Ų28.511%0.10715%0.15CC..  trans-67.8143.2167.5-65.2-36.4000110.2K253 N323 C324 Q325 N362N106-K253 CarbonylContact C-O 3.42Å; N106-K253 VanDerWaalsContact CA-O 3.31Å; N106-K253 WeakPolarHBondContact CA-O 3.37Å; N106-K253 WeakPolarHBondContact OD1-CB 3.35Å; N106-K253 PolarHBondContact OD1-N 3.05Å; N106-N323 VanDerWaalsContact CB-O 3.3Å; N106-N323 WeakPolarHBondContact CB-O 3.11Å; N106-N323 PolarHBondContact ND2-O 3.18Å; N106-C324 HydrophobicContact CB-CB 4.15Å; N106-C324 WeakPolarHBondContact O-CA 3.26Å; N106-Q325 PolarHBondContact O-N 3.29Å; N106-N362 PolarHBondContact ND2-ND2 3.21Å; N106-N362 PolarHBondContact OD1-ND2 3.02Å; N106-N362 VanDerWaalsContact OD1-ND2 3.13Å
107C95.2Very high92.7Very high0 Ų025.7 Ų25.70%013%0.132CC..EExtended strand (participates in β ladder)trans-136.4140.5-172-65.60000110.5I97 Y105 K253 M254 S255 Q325I97-C107 HydrophobicContact CG2-CB 3.46Å; I97-C107 VanDerWaalsContact CG2-CB 3.46Å; I97-C107 WeakPolarHBondContact CG2-SG 3.48Å; Y105-C107 PolarHBondContact O-SG 3.01Å; Y105-C107 VanDerWaalsContact O-SG 3.32Å; C107-K253 PolarHBondContact N-O 3.31Å; C107-M254 HydrophobicContact CB-CB 4.36Å; C107-M254 HydrophobicContact CB-CE 3.94Å; C107-M254 HydrophobicContact CB-CG 4.28Å; C107-M254 CarbonylContact O-C 3.47Å; C107-M254 VanDerWaalsContact O-CA 3.24Å; C107-M254 WeakPolarHBondContact O-CA 3.45Å; C107-S255 PolarHBondContact O-N 3.43Å; C107-Q325 CarbonylContact C-O 3.59Å; C107-Q325 WeakPolarHBondContact CA-O 3.31Å
108T95.8Very high92.7Very high1 Ų126.3 Ų26.31%0.00614%0.139CC..EExtended strand (participates in β ladder)trans-137.6133.3174.5-65.50000110.7L110 S255 I257 S319 C324 Q325 T326 I327T108-L110 HydrophobicContact CG2-CD2 4.35Å; T108-S255 CarbonylContact C-O 3.54Å; T108-S255 VanDerWaalsContact CA-O 3.28Å; T108-S255 WeakPolarHBondContact CA-O 3.33Å; T108-I257 HydrophobicContact CG2-CD1 3.54Å; T108-S319 WeakPolarHBondContact OG1-CB 3.42Å; T108-S319 PolarHBondContact OG1-OG 3.03Å; T108-C324 PolarHBondContact N-SG 3.01Å; T108-C324 VanDerWaalsContact N-SG 3.41Å; T108-C324 PolarHBondContact OG1-SG 2.88Å; T108-Q325 PolarHBondContact N-O 2.88Å; T108-T326 HydrophobicContact CG2-CG2 4.1Å; T108-T326 CarbonylContact O-C 3.39Å; T108-T326 VanDerWaalsContact O-CA 3.29Å; T108-T326 WeakPolarHBondContact O-CA 3.17Å; T108-I327 PolarHBondContact O-N 2.76Å
109V97Very high92.8Very high0 Ų026.5 Ų26.50%014%0.14CC..EExtended strand (participates in β ladder)trans-123121170.6-173.90000107.6T94 I97 M123 S255 L256 I257 I327 I329T94-V109 HydrophobicContact CG2-CG2 4.1Å; I97-V109 HydrophobicContact CD1-CG2 3.53Å; V109-M123 HydrophobicContact CG1-CE 4.5Å; V109-S255 PolarHBondContact N-O 3.32Å; V109-L256 HydrophobicContact CB-CD2 3.75Å; V109-L256 HydrophobicContact CG2-CD2 3.83Å; V109-L256 WeakPolarHBondContact O-CA 3.3Å; V109-I257 PolarHBondContact O-N 2.85Å; V109-I327 WeakPolarHBondContact CA-O 3.23Å; V109-I329 HydrophobicContact CG1-CD1 3.77Å; V109-I329 HydrophobicContact CG1-CG1 4.24Å
110L96.1Very high92.8Very high5 Ų519.2 Ų19.23%0.02612%0.117CC..EExtended strand (participates in β ladder)trans-125.2129-179.166.797000111.7T108 I257 L259 T326 I327 M328 I329T108-L110 HydrophobicContact CG2-CD2 4.35Å; L110-I257 WeakPolarHBondContact CA-O 3.34Å; L110-I257 HydrophobicContact CB-CB 3.95Å; L110-I257 HydrophobicContact CB-CD1 4.14Å; L110-I257 HydrophobicContact CB-CG2 4.41Å; L110-L259 HydrophobicContact CD1-CD1 4.06Å; L110-T326 HydrophobicContact CD2-CG2 3.97Å; L110-I327 PolarHBondContact N-O 3.5Å; L110-M328 HydrophobicContact CD1-CB 4.08Å; L110-M328 HydrophobicContact CD1-CG 3.79Å; L110-M328 HydrophobicContact CG-CB 4.37Å; L110-M328 WeakPolarHBondContact O-CA 3.46Å; L110-I329 PolarHBondContact O-N 3.35Å
111A96.6Very high92.8Very high0 Ų022 Ų220%013%0.127CC..EExtended strand (participates in β ladder)trans-90.8130.817100000110.8K119 M123 I257 L259 I329A111-K119 HydrophobicContact CB-CB 4.04Å; A111-K119 HydrophobicContact CB-CG 4.34Å; A111-M123 HydrophobicContact CB-CG 3.51Å; A111-M123 HydrophobicContact CB-SD 3.79Å; A111-I257 PolarHBondContact N-O 3.18Å; A111-L259 VanDerWaalsContact O-CB 3.31Å; A111-L259 WeakPolarHBondContact O-CB 3.42Å; A111-L259 WeakPolarHBondContact O-CG 3.22Å; A111-L259 PolarHBondContact O-N 3.18Å; A111-I329 CarbonylContact C-O 3.59Å; A111-I329 WeakPolarHBondContact CA-O 2.8Å
112Y95.6Very high92.9Very high22 Ų2222 Ų229%0.08613%0.127CC..EExtended strand (participates in β ladder)trans-134151.3-178.8-179.8-90.5000111.2L259 S262 L285 M328 I329 A330 A331 T345 Y348Y112-L259 HydrophobicContact CD2-CD1 3.86Å; Y112-S262 WeakPolarHBondContact OH-CB 3.45Å; Y112-L285 HydrophobicContact CE2-CD2 4.22Å; Y112-M328 HydrophobicContact CD1-CE 3.56Å; Y112-M328 HydrophobicContact CE1-CE 4.42Å; Y112-M328 HydrophobicContact CG-CE 3.77Å; Y112-I329 PolarHBondContact N-O 3.13Å; Y112-A330 CarbonylContact O-C 3.5Å; Y112-A330 WeakPolarHBondContact O-CA 3.49Å; Y112-A331 PolarHBondContact O-N 3.17Å; Y112-T345 HydrophobicContact CD1-CG2 4.05Å; Y112-T345 HydrophobicContact CE1-CG2 4.22Å; Y112-Y348 AromaticContact CD1-CD1 3.75Å; Y112-Y348 HydrophobicContact CD1-CD1 3.75Å; Y112-Y348 HydrophobicContact CD1-CE1 4.35Å; Y112-Y348 HydrophobicContact CD2-CD1 4.26Å; Y112-Y348 HydrophobicContact CD2-CE1 4.08Å; Y112-Y348 AromaticContact CE1-CD1 3.33Å; Y112-Y348 HydrophobicContact CE1-CD1 3.33Å; Y112-Y348 HydrophobicContact CE1-CE1 4.07Å; Y112-Y348 HydrophobicContact CE1-CG 4.07Å; Y112-Y348 AromaticContact CE2-CD1 3.87Å; Y112-Y348 HydrophobicContact CE2-CD1 3.87Å; Y112-Y348 AromaticContact CE2-CE1 3.73Å; Y112-Y348 HydrophobicContact CE2-CE1 3.73Å; Y112-Y348 HydrophobicContact CG-CD1 4.21Å; Y112-Y348 HydrophobicContact CG-CE1 4.37Å; Y112-Y348 AromaticContact CZ-CD1 3.37Å; Y112-Y348 AromaticContact CZ-CE1 3.73Å
113G94.4Very high93Very high0 Ų021 Ų210%012%0.122CC..SBendtrans139.3180-178.800000112.8K119 S262G113-K119 WeakPolarHBondContact O-CD 3.49Å; G113-K119 WeakPolarHBondContact O-CE 3.47Å; G113-K119 PolarHBondContact O-NZ 3.3Å; G113-S262 PolarHBondContact O-N 3.04Å; G113-S262 VanDerWaalsContact O-N 3.15Å; G113-S262 PolarHBondContact O-OG 2.92Å
114A91.1Very high93.1Very high5 Ų518.2 Ų18.24%0.04111%0.107CC..  trans-69.4162.1-177.100000113.2A117 K119 S262 E263 F338 D341A114-A117 HydrophobicContact CB-CB 4.3Å; A114-A117 WeakPolarHBondContact O-CB 3.34Å; A114-A117 PolarHBondContact O-N 2.81Å; A114-A117 VanDerWaalsContact O-N 3.13Å; A114-K119 VanDerWaalsContact C-NZ 3.28Å; A114-K119 PolarHBondContact O-NZ 3.36Å; A114-S262 PolarHBondContact N-OG 3.36Å; A114-E263 WeakPolarHBondContact CA-OE2 3.38Å; A114-F338 HydrophobicContact CB-CD1 4.46Å; A114-D341 HydrophobicContact CB-CB 4Å
115T89.4Confident93.1Very high46 Ų4619.4 Ų19.428%0.28212%0.119SC..THydrogen-bonded Turntrans-60.1135.1167.5-690000110.3A117 S226 G261 E263T115-A117 PolarHBondContact O-N 2.86Å; T115-S226 VanDerWaalsContact OG1-CB 3.3Å; T115-S226 WeakPolarHBondContact OG1-CB 3.22Å; T115-G261 WeakPolarHBondContact OG1-CA 3.33Å; T115-E263 WeakPolarHBondContact CB-OE1 3.45Å; T115-E263 PolarHBondContact N-OE2 2.78Å; T115-E263 VanDerWaalsContact OG1-CD 3.32Å; T115-E263 PolarHBondContact OG1-OE1 2.84Å; T115-E263 PolarHBondContact OG1-OE2 2.68Å
116G87.2Confident92.9Very high46 Ų4618.7 Ų18.747%0.47412%0.124SC..THydrogen-bonded Turntrans75.40.5-173.400000115.2R19 G118R19-G116 PolarHBondContact NE-O 3.19Å; G116-G118 VanDerWaalsContact C-N 3.33Å; G116-G118 PolarHBondContact O-N 3.03Å
117A90.6Very high92.5Very high2 Ų222.6 Ų22.62%0.01716%0.159CC..SBendtrans-80.2-6.817700000114.7A114 T115 A331A114-A117 HydrophobicContact CB-CB 4.3Å; A114-A117 WeakPolarHBondContact O-CB 3.34Å; A114-A117 PolarHBondContact O-N 2.81Å; A114-A117 VanDerWaalsContact O-N 3.13Å; T115-A117 PolarHBondContact O-N 2.86Å; A117-A331 HydrophobicContact CB-CB 4.48Å; A117-A331 WeakPolarHBondContact CB-O 3.27Å; A117-A331 WeakPolarHBondContact O-CB 3.33Å
118G91.4Very high92.1Very high16 Ų1629.9 Ų29.917%0.16520%0.198CC..SBendtrans106.412.5175.700000116.8G116 H121 T122G116-G118 VanDerWaalsContact C-N 3.33Å; G116-G118 PolarHBondContact O-N 3.03Å; G118-H121 PolarHBondContact O-N 3.13Å; G118-T122 WeakPolarHBondContact O-CB 3.31Å; G118-T122 PolarHBondContact O-N 3.35Å; G118-T122 PolarHBondContact O-OG1 3.04Å
119K93.7Very high91.8Very high9 Ų934.5 Ų34.54%0.03922%0.219CC..Hα-helixtrans-53.6-64.5176.4-63.1-171.3-62.2-70.30113A111 G113 A114 H121 T122 M123 D258 L259 A260 A331A111-K119 HydrophobicContact CB-CB 4.04Å; A111-K119 HydrophobicContact CB-CG 4.34Å; G113-K119 WeakPolarHBondContact O-CD 3.49Å; G113-K119 WeakPolarHBondContact O-CE 3.47Å; G113-K119 PolarHBondContact O-NZ 3.3Å; A114-K119 VanDerWaalsContact C-NZ 3.28Å; A114-K119 PolarHBondContact O-NZ 3.36Å; K119-H121 VanDerWaalsContact C-N 3.27Å; K119-H121 PolarHBondContact O-N 3.27Å; K119-T122 WeakPolarHBondContact O-CA 3.2Å; K119-T122 WeakPolarHBondContact O-CB 3.47Å; K119-T122 PolarHBondContact O-N 2.87Å; K119-M123 PolarHBondContact O-N 3.13Å; K119-D258 WeakPolarHBondContact CB-OD1 3.46Å; K119-L259 WeakPolarHBondContact CE-O 3.45Å; K119-A260 WeakPolarHBondContact CE-O 3.3Å; K119-A331 HydrophobicContact CG-CB 4.14Å
120T91.4Very high91.6Very high38 Ų3836.8 Ų36.823%0.23323%0.234CC..Hα-helixtrans-63.6-32.1-179.4-43.70000112T122 M123 L124 G125 D258T120-T122 VanDerWaalsContact C-N 3.33Å; T120-T122 PolarHBondContact O-N 3.48Å; T120-M123 PolarHBondContact O-N 2.92Å; T120-L124 HydrophobicContact CG2-CB 4.42Å; T120-L124 HydrophobicContact CG2-CD1 3.78Å; T120-L124 HydrophobicContact CG2-CG 4.27Å; T120-L124 WeakPolarHBondContact O-CA 3.14Å; T120-L124 WeakPolarHBondContact O-CB 3.49Å; T120-L124 PolarHBondContact O-N 2.69Å; T120-G125 PolarHBondContact O-N 3.37Å; T120-D258 PolarHBondContact N-OD1 3.44Å; T120-D258 PolarHBondContact OG1-OD1 2.89Å; T120-D258 PolarHBondContact OG1-OD2 2.69Å
121H92.1Very high91.6Very high84 Ų8436.6 Ų36.639%0.38923%0.233SC..Hα-helixtrans-62.1-39.7170.7-174.7-83.8000111.8Q86 G118 K119 G125Q86-H121 PolarHBondContact NE2-O 3.27Å; Q86-H121 PolarHBondContact OE1-ND1 3.13Å; G118-H121 PolarHBondContact O-N 3.13Å; K119-H121 VanDerWaalsContact C-N 3.27Å; K119-H121 PolarHBondContact O-N 3.27Å; H121-G125 WeakPolarHBondContact O-CA 3.47Å; H121-G125 PolarHBondContact O-N 2.79Å
122T95.1Very high91.5Very high0 Ų036.6 Ų36.60%023%0.233CC..Hα-helixtrans-74.5-38.9178.6-53.20000111.9R17 V89 G118 K119 T120 V132 I329R17-T122 WeakPolarHBondContact CD-OG1 3.47Å; R17-T122 PolarHBondContact NH1-OG1 3.04Å; V89-T122 HydrophobicContact CG1-CG2 3.84Å; G118-T122 WeakPolarHBondContact O-CB 3.31Å; G118-T122 PolarHBondContact O-N 3.35Å; G118-T122 PolarHBondContact O-OG1 3.04Å; K119-T122 WeakPolarHBondContact O-CA 3.2Å; K119-T122 WeakPolarHBondContact O-CB 3.47Å; K119-T122 PolarHBondContact O-N 2.87Å; T120-T122 VanDerWaalsContact C-N 3.33Å; T120-T122 PolarHBondContact O-N 3.48Å; T122-V132 HydrophobicContact CG2-CG2 4.17Å; T122-V132 WeakPolarHBondContact O-CB 3.46Å; T122-V132 WeakPolarHBondContact O-CG2 3.47Å; T122-V132 PolarHBondContact O-N 2.99Å; T122-I329 HydrophobicContact CG2-CD1 4.26Å; T122-I329 HydrophobicContact CG2-CG2 4.07Å
123M94.7Very high91.4Very high0 Ų035.6 Ų35.60%023%0.229CC..Hα-helixtrans-77.8-51.1-178.9-63-55.1-70.400112.9V109 A111 K119 T120 G131 V132 M133 L256 D258V109-M123 HydrophobicContact CG1-CE 4.5Å; A111-M123 HydrophobicContact CB-CG 3.51Å; A111-M123 HydrophobicContact CB-SD 3.79Å; K119-M123 PolarHBondContact O-N 3.13Å; T120-M123 PolarHBondContact O-N 2.92Å; M123-G131 CarbonylContact O-C 3.59Å; M123-V132 PolarHBondContact O-N 3.5Å; M123-M133 HydrophobicContact CB-CE 4.08Å; M123-M133 HydrophobicContact CB-CG 4.26Å; M123-M133 HydrophobicContact CB-SD 4.32Å; M123-M133 HydrophobicContact CE-CE 3.58Å; M123-M133 HydrophobicContact CE-CG 3.98Å; M123-M133 WeakPolarHBondContact O-CB 3.46Å; M123-M133 VanDerWaalsContact O-CG 3.29Å; M123-M133 WeakPolarHBondContact O-CG 3.38Å; M123-M133 PolarHBondContact O-N 3.44Å; M123-L256 HydrophobicContact CE-CB 3.97Å; M123-D258 HydrophobicContact CB-CB 4.31Å; M123-D258 HydrophobicContact CG-CB 4.17Å
124L91.8Very high91.4Very high21 Ų2137.9 Ų37.911%0.1124%0.238CC..THydrogen-bonded Turntrans-99.7-41.4-176.8-62.4178.5000112.8T120 G131 M133 Y134 L207 N211T120-L124 HydrophobicContact CG2-CB 4.42Å; T120-L124 HydrophobicContact CG2-CD1 3.78Å; T120-L124 HydrophobicContact CG2-CG 4.27Å; T120-L124 WeakPolarHBondContact O-CA 3.14Å; T120-L124 WeakPolarHBondContact O-CB 3.49Å; T120-L124 PolarHBondContact O-N 2.69Å; L124-G131 WeakPolarHBondContact O-CA 3.06Å; L124-G131 PolarHBondContact O-N 3.28Å; L124-M133 HydrophobicContact CD2-CB 4.46Å; L124-M133 HydrophobicContact CD2-CG 4.49Å; L124-M133 HydrophobicContact CD2-SD 3.5Å; L124-M133 WeakPolarHBondContact CD2-SD 3.36Å; L124-M133 HydrophobicContact CG-SD 4.41Å; L124-Y134 HydrophobicContact CB-CE2 4.18Å; L124-Y134 HydrophobicContact CD2-CE2 3.9Å; L124-Y134 WeakPolarHBondContact O-CD2 3.4Å; L124-Y134 WeakPolarHBondContact O-CE2 3.15Å; L124-L207 HydrophobicContact CD2-CD1 4.21Å; L124-L207 HydrophobicContact CD2-CD2 4.46Å; L124-L207 HydrophobicContact CD2-CG 4.47Å; L124-N211 WeakPolarHBondContact CD1-OD1 3.4Å; L124-N211 WeakPolarHBondContact CD2-ND2 3.13Å
125G90.4Very high91.6Very high24 Ų2439.3 Ų39.325%0.24725%0.245CC..BIsolated β-bridgetrans77.3-160.6-175.800000114.1Q86 T120 H121 E129Q86-G125 VanDerWaalsContact NE2-CA 3.32Å; T120-G125 PolarHBondContact O-N 3.37Å; H121-G125 WeakPolarHBondContact O-CA 3.47Å; H121-G125 PolarHBondContact O-N 2.79Å; G125-E129 VanDerWaalsContact CA-O 3.3Å; G125-E129 WeakPolarHBondContact CA-O 3.18Å
126S87.6Confident91.9Very high54 Ų5437.1 Ų37.138%0.37823%0.232SC..  trans-107.2179.516870.20000110D128 E129S126-D128 VanDerWaalsContact C-N 3.32Å; S126-D128 PolarHBondContact OG-N 2.75Å; S126-E129 PolarHBondContact N-O 2.87Å; S126-E129 CarbonylContact O-C 3.38Å; S126-E129 PolarHBondContact OG-N 3.43Å
127A84.8Confident92.2Very high102 Ų10235 Ų3584%0.84321%0.209SC*.SBendtrans-65.7-36.6173.400000112.1
128D88.2Confident92.4Very high152 Ų15239.7 Ų39.781%0.81323%0.233SC*.SBendtrans-80.8-33.5-180-43.4-65.7000112S126 P130S126-D128 VanDerWaalsContact C-N 3.32Å; S126-D128 PolarHBondContact OG-N 2.75Å; D128-P130 WeakPolarHBondContact O-CD 3.16Å
129E89.7Confident92.5Very high99 Ų9941 Ų4146%0.46324%0.235SC..SBendtrans-121.676.5-178.9-77.9-161.6-164.400111Q86 G125 S126 G131Q86-E129 HydrophobicContact CG-CB 3.84Å; Q86-E129 PolarHBondContact NE2-O 2.78Å; G125-E129 VanDerWaalsContact CA-O 3.3Å; G125-E129 WeakPolarHBondContact CA-O 3.18Å; S126-E129 PolarHBondContact N-O 2.87Å; S126-E129 CarbonylContact O-C 3.38Å; S126-E129 PolarHBondContact OG-N 3.43Å; E129-G131 PolarHBondContact O-N 2.75Å
130P93Very high92.6Very high48 Ų4840.6 Ų40.631%0.31223%0.234SC..BIsolated β-bridgetrans-62135.1-176.324.1-34.4000112Q86 D128 L135Q86-P130 WeakPolarHBondContact CB-O 3.4Å; D128-P130 WeakPolarHBondContact O-CD 3.16Å; P130-L135 HydrophobicContact CG-CD2 4.13Å; P130-L135 WeakPolarHBondContact O-CD1 3.1Å
131G94.8Very high92.7Very high0 Ų039.4 Ų39.40%023%0.225CC..  trans-80.4178.8-177.900000114.2M123 L124 E129 M133 Y134 L135M123-G131 CarbonylContact O-C 3.59Å; L124-G131 WeakPolarHBondContact O-CA 3.06Å; L124-G131 PolarHBondContact O-N 3.28Å; E129-G131 PolarHBondContact O-N 2.75Å; G131-M133 PolarHBondContact O-N 2.67Å; G131-M133 VanDerWaalsContact O-N 3.16Å; G131-Y134 PolarHBondContact O-N 2.8Å; G131-Y134 VanDerWaalsContact O-N 3.11Å; G131-L135 PolarHBondContact O-N 2.59Å; G131-L135 VanDerWaalsContact O-N 3.08Å
132V94.9Very high92.7Very high1 Ų141.4 Ų41.41%0.00623%0.233CC..Hα-helixtrans-54.1-37.4-175.7172.60000112.6V89 T94 T122 M123 T136V89-V132 HydrophobicContact CG1-CG2 3.95Å; T94-V132 HydrophobicContact CG2-CG1 4.45Å; T94-V132 WeakPolarHBondContact OG1-CG1 3.11Å; T122-V132 HydrophobicContact CG2-CG2 4.17Å; T122-V132 WeakPolarHBondContact O-CB 3.46Å; T122-V132 WeakPolarHBondContact O-CG2 3.47Å; T122-V132 PolarHBondContact O-N 2.99Å; M123-V132 PolarHBondContact O-N 3.5Å; V132-T136 WeakPolarHBondContact O-CB 3.17Å; V132-T136 PolarHBondContact O-N 3.27Å; V132-T136 PolarHBondContact O-OG1 3.48Å
133M94.4Very high92.6Very high0 Ų042.2 Ų42.20%024%0.238CC..Hα-helixtrans-62.7-50.2177.5-67.3-175.5172.200112.1M123 L124 G131 T136 M137 L207 F232 L256M123-M133 HydrophobicContact CB-CE 4.08Å; M123-M133 HydrophobicContact CB-CG 4.26Å; M123-M133 HydrophobicContact CB-SD 4.32Å; M123-M133 HydrophobicContact CE-CE 3.58Å; M123-M133 HydrophobicContact CE-CG 3.98Å; M123-M133 WeakPolarHBondContact O-CB 3.46Å; M123-M133 VanDerWaalsContact O-CG 3.29Å; M123-M133 WeakPolarHBondContact O-CG 3.38Å; M123-M133 PolarHBondContact O-N 3.44Å; L124-M133 HydrophobicContact CD2-CB 4.46Å; L124-M133 HydrophobicContact CD2-CG 4.49Å; L124-M133 HydrophobicContact CD2-SD 3.5Å; L124-M133 WeakPolarHBondContact CD2-SD 3.36Å; L124-M133 HydrophobicContact CG-SD 4.41Å; G131-M133 PolarHBondContact O-N 2.67Å; G131-M133 VanDerWaalsContact O-N 3.16Å; M133-T136 PolarHBondContact O-N 3.33Å; M133-M137 WeakPolarHBondContact O-CG 3.44Å; M133-M137 PolarHBondContact O-N 3.39Å; M133-L207 HydrophobicContact CB-CD2 4.1Å; M133-L207 HydrophobicContact SD-CD1 4.17Å; M133-F232 HydrophobicContact CE-CB 4.45Å; M133-L256 HydrophobicContact CB-CD1 4.21Å; M133-L256 HydrophobicContact CE-CB 3.8Å; M133-L256 WeakPolarHBondContact CE-O 3.47Å; M133-L256 HydrophobicContact CG-CB 4.01Å; M133-L256 HydrophobicContact CG-CD1 3.9Å; M133-L256 HydrophobicContact SD-CB 4.49Å
134Y93.7Very high92.5Very high49 Ų4943.1 Ų43.119%0.19224%0.242CC..Hα-helixtrans-63.7-49-179.3-72.9-99.8000111.2L124 G131 T136 M137 L138 L204 L207 D208L124-Y134 HydrophobicContact CB-CE2 4.18Å; L124-Y134 HydrophobicContact CD2-CE2 3.9Å; L124-Y134 WeakPolarHBondContact O-CD2 3.4Å; L124-Y134 WeakPolarHBondContact O-CE2 3.15Å; G131-Y134 PolarHBondContact O-N 2.8Å; G131-Y134 VanDerWaalsContact O-N 3.11Å; Y134-T136 VanDerWaalsContact C-N 3.29Å; Y134-T136 PolarHBondContact O-N 2.77Å; Y134-M137 PolarHBondContact O-N 3.38Å; Y134-M137 VanDerWaalsContact O-N 3.13Å; Y134-L138 PolarHBondContact O-N 2.93Å; Y134-L204 HydrophobicContact CD1-CD2 3.51Å; Y134-L204 HydrophobicContact CE1-CD2 4.1Å; Y134-L204 HydrophobicContact CG-CD2 4.14Å; Y134-L207 HydrophobicContact CD1-CD2 4.4Å; Y134-L207 HydrophobicContact CD2-CD2 4.01Å; Y134-L207 HydrophobicContact CE1-CD2 4.15Å; Y134-L207 HydrophobicContact CE2-CD2 3.76Å; Y134-L207 HydrophobicContact CE2-CG 4.46Å; Y134-L207 HydrophobicContact CG-CD2 4.3Å; Y134-D208 WeakPolarHBondContact CE1-OD1 3.44Å; Y134-D208 PolarHBondContact OH-OD1 3.18Å
135L95.1Very high92.5Very high35 Ų3546.4 Ų46.418%0.18326%0.26CS..Hα-helixtrans-60.6-38.4178-65.9175000111.9F90 P130 G131 H139F90-L135 HydrophobicContact CB-CB 4.23Å; F90-L135 HydrophobicContact CB-CD1 3.62Å; F90-L135 HydrophobicContact CD1-CB 4.04Å; F90-L135 HydrophobicContact CD1-CD1 4.29Å; F90-L135 HydrophobicContact CD2-CB 3.75Å; F90-L135 HydrophobicContact CE1-CB 4.38Å; F90-L135 HydrophobicContact CE2-CB 4.12Å; F90-L135 HydrophobicContact CG-CB 3.71Å; F90-L135 HydrophobicContact CG-CD1 3.96Å; F90-L135 HydrophobicContact CG-CG 4.48Å; F90-L135 HydrophobicContact CZ-CB 4.42Å; P130-L135 HydrophobicContact CG-CD2 4.13Å; P130-L135 WeakPolarHBondContact O-CD1 3.1Å; G131-L135 PolarHBondContact O-N 2.59Å; G131-L135 VanDerWaalsContact O-N 3.08Å; L135-H139 VanDerWaalsContact O-CB 3.28Å; L135-H139 WeakPolarHBondContact O-CB 3.38Å; L135-H139 PolarHBondContact O-N 2.75Å
136T95.5Very high92.6Very high0 Ų051 Ų510%028%0.275CS..Hα-helixtrans-65.5-39.5175.5-600000111.9T94 L98 V132 M133 Y134 L140 M254 L256T94-T136 HydrophobicContact CG2-CG2 3.73Å; T94-T136 WeakPolarHBondContact CG2-OG1 3.26Å; L98-T136 HydrophobicContact CD1-CG2 4.23Å; L98-T136 HydrophobicContact CD2-CG2 3.88Å; L98-T136 HydrophobicContact CG-CG2 4.2Å; V132-T136 WeakPolarHBondContact O-CB 3.17Å; V132-T136 PolarHBondContact O-N 3.27Å; V132-T136 PolarHBondContact O-OG1 3.48Å; M133-T136 PolarHBondContact O-N 3.33Å; Y134-T136 VanDerWaalsContact C-N 3.29Å; Y134-T136 PolarHBondContact O-N 2.77Å; T136-L140 WeakPolarHBondContact O-CB 3.13Å; T136-L140 PolarHBondContact O-N 2.76Å; T136-M254 HydrophobicContact CG2-SD 3.77Å; T136-L256 HydrophobicContact CG2-CD1 4.26Å
137M94.1Very high92.7Very high0 Ų050.2 Ų50.20%027%0.266CS..Hα-helixtrans-68.8-44.8179.1-66.8-40.8103.600111.3M133 Y134 H139 L140 Y141 I203 L204 F232 I234 L256M133-M137 WeakPolarHBondContact O-CG 3.44Å; M133-M137 PolarHBondContact O-N 3.39Å; Y134-M137 PolarHBondContact O-N 3.38Å; Y134-M137 VanDerWaalsContact O-N 3.13Å; M137-H139 PolarHBondContact O-N 3.49Å; M137-L140 PolarHBondContact O-N 2.93Å; M137-Y141 WeakPolarHBondContact O-CD2 3.14Å; M137-Y141 PolarHBondContact O-N 2.99Å; M137-Y141 VanDerWaalsContact O-N 3.13Å; M137-I203 HydrophobicContact CB-CG2 4.15Å; M137-I203 HydrophobicContact CG-CD1 4.1Å; M137-I203 HydrophobicContact CG-CG1 4.21Å; M137-I203 HydrophobicContact CG-CG2 4.38Å; M137-I203 HydrophobicContact SD-CD1 3.42Å; M137-I203 WeakPolarHBondContact SD-CD1 3.47Å; M137-I203 HydrophobicContact SD-CG1 4.13Å; M137-L204 HydrophobicContact CB-CD2 3.89Å; M137-L204 HydrophobicContact CB-CG 4.5Å; M137-L204 HydrophobicContact CG-CD2 4.24Å; M137-F232 HydrophobicContact CE-CE1 4.32Å; M137-F232 HydrophobicContact SD-CE1 3.88Å; M137-I234 HydrophobicContact CE-CD1 3.48Å; M137-I234 VanDerWaalsContact CE-CD1 3.48Å; M137-I234 HydrophobicContact CE-CG1 4.19Å; M137-I234 HydrophobicContact SD-CD1 3.91Å; M137-I234 HydrophobicContact SD-CG1 3.94Å; M137-L256 HydrophobicContact CE-CD1 3.48Å; M137-L256 VanDerWaalsContact CE-CD1 3.48Å
138L93.2Very high92.9Very high101 Ų10150.4 Ų50.453%0.52925%0.248SC..Hα-helixtrans-60.3-46.7177.6-173.466.1000111.4Y134 K142Y134-L138 PolarHBondContact O-N 2.93Å; L138-K142 WeakPolarHBondContact O-CB 3.42Å; L138-K142 PolarHBondContact O-N 2.83Å; L138-K142 VanDerWaalsContact O-N 3.08Å
139H94.6Very high92.9Very high44 Ų4450.3 Ų50.320%0.20424%0.243CC..Hα-helixtrans-72.7-30.5179.9-163.5-51.3000113F90 K95 L98 L135 M137 C143F90-H139 HydrophobicContact CE1-CB 4.41Å; F90-H139 AromaticContact CE1-CD2 3.81Å; F90-H139 HydrophobicContact CZ-CB 3.71Å; F90-H139 AromaticContact CZ-CD2 3.71Å; F90-H139 AromaticContact CZ-CG 3.88Å; K95-H139 WeakPolarHBondContact CE-NE2 3.44Å; L98-H139 HydrophobicContact CD1-CB 3.91Å; L135-H139 VanDerWaalsContact O-CB 3.28Å; L135-H139 WeakPolarHBondContact O-CB 3.38Å; L135-H139 PolarHBondContact O-N 2.75Å; M137-H139 PolarHBondContact O-N 3.49Å; H139-C143 PolarHBondContact CE1-SG 3Å; H139-C143 PolarHBondContact ND1-SG 3.49Å; H139-C143 VanDerWaalsContact ND1-SG 3.37Å; H139-C143 PolarHBondContact O-N 3.3Å; H139-C143 PolarHBondContact O-SG 2.64Å
140L94.7Very high92.8Very high1 Ų151.5 Ų51.51%0.00525%0.248CC..Hα-helixtrans-62.7-51.7173.9173.160.4000110.9L98 F101 L102 T136 M137 K142 C143 M144 I234L98-L140 HydrophobicContact CD2-CB 3.94Å; L98-L140 HydrophobicContact CD2-CD1 4.06Å; F101-L140 HydrophobicContact CD1-CD1 3.87Å; F101-L140 HydrophobicContact CE1-CD1 3.8Å; F101-L140 HydrophobicContact CE1-CD2 3.93Å; L102-L140 HydrophobicContact CD2-CD1 4.31Å; T136-L140 WeakPolarHBondContact O-CB 3.13Å; T136-L140 PolarHBondContact O-N 2.76Å; M137-L140 PolarHBondContact O-N 2.93Å; L140-K142 VanDerWaalsContact C-N 3.35Å; L140-K142 PolarHBondContact O-N 2.89Å; L140-C143 PolarHBondContact O-N 3.4Å; L140-M144 HydrophobicContact CD1-CG 4.29Å; L140-M144 HydrophobicContact CD1-SD 4.06Å; L140-M144 HydrophobicContact CG-SD 3.94Å; L140-M144 WeakPolarHBondContact O-CG 3.42Å; L140-M144 PolarHBondContact O-N 3.22Å; L140-I234 HydrophobicContact CD2-CG2 4.03Å
141Y93.9Very high92.6Very high12 Ų1251 Ų515%0.04724%0.241CC..Hα-helixtrans-64.3-40.1178.8-86-97.2000111.5M137 C143 M144 D145 P197 S199 I203M137-Y141 WeakPolarHBondContact O-CD2 3.14Å; M137-Y141 PolarHBondContact O-N 2.99Å; M137-Y141 VanDerWaalsContact O-N 3.13Å; Y141-C143 PolarHBondContact O-N 3.18Å; Y141-M144 HydrophobicContact CD1-CE 4.42Å; Y141-M144 HydrophobicContact CE1-CE 4.27Å; Y141-M144 WeakPolarHBondContact O-CB 3.49Å; Y141-M144 PolarHBondContact O-N 3.16Å; Y141-M144 VanDerWaalsContact O-N 3.08Å; Y141-D145 PolarHBondContact O-N 2.99Å; Y141-P197 PolarHBondContact OH-O 3.19Å; Y141-S199 VanDerWaalsContact CE1-C 3.44Å; Y141-I203 HydrophobicContact CD2-CG2 4.14Å; Y141-I203 HydrophobicContact CE2-CB 4.28Å; Y141-I203 HydrophobicContact CE2-CD1 4.06Å; Y141-I203 HydrophobicContact CE2-CG2 3.61Å
142K93.6Very high92.4Very high127 Ų12754.6 Ų54.655%0.55226%0.263SS*.Hα-helixtrans-54.1-49.9172-174.5-178.5177.4-175.30112.2L138 L140 M144 D145 E146L138-K142 WeakPolarHBondContact O-CB 3.42Å; L138-K142 PolarHBondContact O-N 2.83Å; L138-K142 VanDerWaalsContact O-N 3.08Å; L140-K142 VanDerWaalsContact C-N 3.35Å; L140-K142 PolarHBondContact O-N 2.89Å; K142-M144 VanDerWaalsContact C-N 3.31Å; K142-M144 PolarHBondContact O-N 2.83Å; K142-D145 PolarHBondContact O-N 2.91Å; K142-E146 WeakPolarHBondContact CE-OE1 3.25Å; K142-E146 WeakPolarHBondContact O-CG 3.4Å; K142-E146 PolarHBondContact O-N 2.91Å
143C92.7Very high92.2Very high17 Ų1756.1 Ų56.112%0.11527%0.274CS..Hα-helixtrans-68.6-27.6177.6-71.60000113.6L102 H139 L140 Y141 E146 I147L102-C143 HydrophobicContact CD1-CB 3.7Å; H139-C143 PolarHBondContact CE1-SG 3Å; H139-C143 PolarHBondContact ND1-SG 3.49Å; H139-C143 VanDerWaalsContact ND1-SG 3.37Å; H139-C143 PolarHBondContact O-N 3.3Å; H139-C143 PolarHBondContact O-SG 2.64Å; L140-C143 PolarHBondContact O-N 3.4Å; Y141-C143 PolarHBondContact O-N 3.18Å; C143-E146 PolarHBondContact SG-OE2 3.19Å; C143-I147 WeakPolarHBondContact O-CG1 3.46Å; C143-I147 PolarHBondContact O-N 3.5Å
144M91.8Very high92.1Very high19 Ų1958.9 Ų58.99%0.09429%0.293CS..Hα-helixtrans-69.5-37.5172.3-73.816950.100112.1L140 Y141 K142 K148 C153 T155 L236L140-M144 HydrophobicContact CD1-CG 4.29Å; L140-M144 HydrophobicContact CD1-SD 4.06Å; L140-M144 HydrophobicContact CG-SD 3.94Å; L140-M144 WeakPolarHBondContact O-CG 3.42Å; L140-M144 PolarHBondContact O-N 3.22Å; Y141-M144 HydrophobicContact CD1-CE 4.42Å; Y141-M144 HydrophobicContact CE1-CE 4.27Å; Y141-M144 WeakPolarHBondContact O-CB 3.49Å; Y141-M144 PolarHBondContact O-N 3.16Å; Y141-M144 VanDerWaalsContact O-N 3.08Å; K142-M144 VanDerWaalsContact C-N 3.31Å; K142-M144 PolarHBondContact O-N 2.83Å; M144-K148 PolarHBondContact O-N 3.31Å; M144-C153 HydrophobicContact CE-CB 3.86Å; M144-C153 HydrophobicContact CG-CB 4.28Å; M144-T155 VanDerWaalsContact CE-OG1 3.3Å; M144-T155 WeakPolarHBondContact CE-OG1 3.44Å; M144-L236 HydrophobicContact CE-CD1 4.35Å; M144-L236 HydrophobicContact CG-CD1 4.48Å; M144-L236 HydrophobicContact SD-CD1 3.91Å
145D91.6Very high92.2Very high89 Ų8956.9 Ų56.948%0.47629%0.286SS..Hα-helixtrans-70.7-37.7174.3-76.8-47.7000111.7Y141 K142 I147 K148Y141-D145 PolarHBondContact O-N 2.99Å; K142-D145 PolarHBondContact O-N 2.91Å; D145-I147 VanDerWaalsContact C-N 3.32Å; D145-I147 PolarHBondContact O-N 2.78Å; D145-K148 WeakPolarHBondContact O-CB 3.32Å; D145-K148 PolarHBondContact O-N 2.99Å; D145-K148 IonicContact OD1-NZ 2.81Å; D145-K148 PolarHBondContact OD1-NZ 3.47Å
146E92.4Very high92.2Very high122 Ų12256 Ų5657%0.5728%0.283SS*.Hα-helixtrans-59-37.6173.6-73.6165.5178.200113K142 C143K142-E146 WeakPolarHBondContact CE-OE1 3.25Å; K142-E146 WeakPolarHBondContact O-CG 3.4Å; K142-E146 PolarHBondContact O-N 2.91Å; C143-E146 PolarHBondContact SG-OE2 3.19Å
147I90.2Very high92.3Very high36 Ų3656 Ų5619%0.18528%0.283CS..THydrogen-bonded Turntrans-97.16.6-179.970.8-171.9000113.9L102 C143 D145 E149 E150 K151L102-I147 HydrophobicContact CD2-CD1 4.04Å; C143-I147 WeakPolarHBondContact O-CG1 3.46Å; C143-I147 PolarHBondContact O-N 3.5Å; D145-I147 VanDerWaalsContact C-N 3.32Å; D145-I147 PolarHBondContact O-N 2.78Å; I147-E149 VanDerWaalsContact C-N 3.28Å; I147-E149 PolarHBondContact O-N 2.62Å; I147-E150 PolarHBondContact O-N 3.38Å; I147-E150 VanDerWaalsContact O-N 3.13Å; I147-K151 HydrophobicContact CD1-CD 4.5Å; I147-K151 PolarHBondContact O-N 2.89Å
148K88.7Confident92.4Very high106 Ų10656 Ų5646%0.46128%0.283SS..THydrogen-bonded Turntrans-61.8-32.2-169-168.6179.9-160.21550113.6M144 D145 K241M144-K148 PolarHBondContact O-N 3.31Å; D145-K148 WeakPolarHBondContact O-CB 3.32Å; D145-K148 PolarHBondContact O-N 2.99Å; D145-K148 IonicContact OD1-NZ 2.81Å; D145-K148 PolarHBondContact OD1-NZ 3.47Å; K148-K241 VanDerWaalsContact O-CE 3.25Å; K148-K241 WeakPolarHBondContact O-CE 3.34Å; K148-K241 PolarHBondContact O-NZ 2.83Å
149E88.4Confident92.5Very high151 Ų15151.1 Ų51.171%0.70626%0.258SS*.THydrogen-bonded Turntrans-74.4-31.8178.6-61.4-46.7133.900112.8I147 K241I147-E149 VanDerWaalsContact C-N 3.28Å; I147-E149 PolarHBondContact O-N 2.62Å; E149-K241 WeakPolarHBondContact O-CD 3.4Å
150E87.9Confident92.5Very high124 Ų12449 Ų4958%0.57925%0.248SC*.THydrogen-bonded Turntrans-82-37.1176.6-60.9-178.9-179.600112.8I147 K241I147-E150 PolarHBondContact O-N 3.38Å; I147-E150 VanDerWaalsContact O-N 3.13Å; E150-K241 WeakPolarHBondContact O-CB 3.5Å; E150-K241 PolarHBondContact O-N 3.45Å
151K88.8Confident92.4Very high37 Ų3749 Ų4916%0.16125%0.248CC..EExtended strand (participates in β ladder)trans-136133.3-165.1-67.8173.4-174149.20112.6I147 C153 Q239 D240I147-K151 HydrophobicContact CD1-CD 4.5Å; I147-K151 PolarHBondContact O-N 2.89Å; K151-C153 PolarHBondContact O-N 3.15Å; K151-Q239 WeakPolarHBondContact CA-O 3.31Å; K151-D240 WeakPolarHBondContact CE-OD1 3.35Å; K151-D240 WeakPolarHBondContact CG-OD1 3.35Å
152T89.4Confident92.4Very high76 Ų7648.6 Ų48.647%0.46625%0.247SC..EExtended strand (participates in β ladder)trans-81.2113.9168.3-57.10000108.7Q238 Q239 K241T152-Q238 WeakPolarHBondContact O-CA 3.36Å; T152-Q239 PolarHBondContact N-O 3.45Å; T152-Q239 PolarHBondContact O-N 3.3Å; T152-K241 WeakPolarHBondContact OG1-CE 3.38Å; T152-K241 WeakPolarHBondContact OG1-CG 3.37Å
153C91.9Very high92.1Very high33 Ų3344 Ų4422%0.22323%0.226CC..EExtended strand (participates in β ladder)trans-105.7138.6178.5-60.70000110.7M144 K151 L236 R237M144-C153 HydrophobicContact CE-CB 3.86Å; M144-C153 HydrophobicContact CG-CB 4.28Å; K151-C153 PolarHBondContact O-N 3.15Å; C153-L236 HydrophobicContact CB-CD1 4.24Å; C153-R237 CarbonylContact C-O 3.48Å; C153-R237 WeakPolarHBondContact CA-O 3.31Å
154S92.2Very high91.8Very high57 Ų5745.7 Ų45.740%0.39923%0.234SC..EExtended strand (participates in β ladder)trans-134.6124.3176.6175.70000109.2R237S154-R237 PolarHBondContact N-O 2.99Å; S154-R237 PolarHBondContact O-N 2.61Å
155T94.9Very high91.7Very high7 Ų745.5 Ų45.54%0.04323%0.233CC..EExtended strand (participates in β ladder)trans-109.1136.1-176.9-57.50000110.2M144 V157 Q196 P197 I234 Y235M144-T155 VanDerWaalsContact CE-OG1 3.3Å; M144-T155 WeakPolarHBondContact CE-OG1 3.44Å; T155-V157 HydrophobicContact CG2-CG1 4.3Å; T155-Q196 WeakPolarHBondContact O-CA 3.34Å; T155-P197 HydrophobicContact CG2-CG 4.46Å; T155-I234 HydrophobicContact CG2-CG2 3.64Å; T155-Y235 CarbonylContact C-O 3.58Å; T155-Y235 WeakPolarHBondContact CA-O 3.42Å
156A95.8Very high91.7Very high16 Ų1645.1 Ų45.113%0.13223%0.228CC..EExtended strand (participates in β ladder)trans-127149.3165.600000110.2H195 Q196 Y235A156-H195 CarbonylContact C-O 3.43Å; A156-H195 WeakPolarHBondContact CA-O 3.39Å; A156-Q196 HydrophobicContact CB-CG 4.15Å; A156-Y235 PolarHBondContact N-O 2.56Å; A156-Y235 PolarHBondContact O-N 3.4Å
157V96.8Very high91.7Very high0 Ų039.3 Ų39.30%020%0.201CC..EExtended strand (participates in β ladder)trans-133149-179.1-58.70000112.2T155 L194 H195 P197 I203 L206 F232 Q233 I234T155-V157 HydrophobicContact CG2-CG1 4.3Å; V157-L194 WeakPolarHBondContact O-CA 3.26Å; V157-H195 HydrophobicContact CG2-CB 4.02Å; V157-H195 PolarHBondContact N-O 3.45Å; V157-H195 PolarHBondContact O-N 2.88Å; V157-P197 HydrophobicContact CG1-CG 3.95Å; V157-P197 HydrophobicContact CG2-CG 4.01Å; V157-I203 HydrophobicContact CG1-CD1 3.48Å; V157-I203 VanDerWaalsContact CG1-CD1 3.48Å; V157-I203 HydrophobicContact CG1-CG1 3.98Å; V157-L206 HydrophobicContact CG2-CD1 3.82Å; V157-F232 HydrophobicContact CB-CZ 4.24Å; V157-F232 HydrophobicContact CG1-CZ 4.19Å; V157-Q233 VanDerWaalsContact CA-O 3.26Å; V157-Q233 WeakPolarHBondContact CA-O 3.13Å; V157-I234 HydrophobicContact CG1-CG1 4.21Å; V157-I234 HydrophobicContact CG1-CG2 4.27Å
158S96.1Very high91.8Very high0 Ų039.8 Ų39.80%020%0.201CC..EExtended strand (participates in β ladder)trans-136.6143167.559.50000109.1T193 Q233S158-T193 WeakPolarHBondContact CB-O 3.45Å; S158-Q233 PolarHBondContact N-O 3.49Å; S158-Q233 PolarHBondContact O-N 2.82Å; S158-Q233 PolarHBondContact OG-OE1 2.82Å
159Y96.1Very high92.1Very high0 Ų035.2 Ų35.20%018%0.181CC..EExtended strand (participates in β ladder)trans-127123.5175.3-161.8-173.9000109.2L170 L171 L207 N211 A230 V231 F232Y159-L170 HydrophobicContact CD1-CB 4.03Å; Y159-L170 HydrophobicContact CD1-CD1 3.94Å; Y159-L170 HydrophobicContact CD2-CD1 3.72Å; Y159-L170 HydrophobicContact CE1-CD1 3.87Å; Y159-L170 HydrophobicContact CE2-CD1 3.71Å; Y159-L170 HydrophobicContact CG-CB 3.98Å; Y159-L170 HydrophobicContact CG-CD1 3.84Å; Y159-L170 PolarHBondContact O-N 2.93Å; Y159-L171 HydrophobicContact CD1-CD2 4.36Å; Y159-L207 HydrophobicContact CE1-CD1 3.92Å; Y159-N211 PolarHBondContact OH-OD1 2.95Å; Y159-A230 HydrophobicContact CE2-CB 3.85Å; Y159-V231 WeakPolarHBondContact CD2-O 3.49Å; Y159-F232 AromaticContact CD1-CD2 3.93Å; Y159-F232 HydrophobicContact CD1-CD2 3.93Å; Y159-F232 HydrophobicContact CD1-CE2 4.47Å; Y159-F232 HydrophobicContact CD2-CB 3.84Å; Y159-F232 AromaticContact CD2-CD2 3.81Å; Y159-F232 HydrophobicContact CD2-CD2 3.81Å; Y159-F232 HydrophobicContact CD2-CG 4.34Å; Y159-F232 HydrophobicContact CE1-CD2 4.48Å; Y159-F232 HydrophobicContact CE2-CB 3.87Å; Y159-F232 HydrophobicContact CE2-CD2 4.32Å; Y159-F232 HydrophobicContact CG-CB 4.5Å; Y159-F232 AromaticContact CG-CD2 3.59Å; Y159-F232 HydrophobicContact CG-CD2 3.59Å; Y159-F232 HydrophobicContact CG-CE2 4.37Å
160L94.9Very high92.3Very high0 Ų028.3 Ų28.30%015%0.149CC..EExtended strand (participates in β ladder)trans-130.3155.5178.667.888000111.4V162 I167 R168 V189 L192 V231 L315L160-V162 HydrophobicContact CD1-CG2 3.91Å; L160-I167 HydrophobicContact CB-CG2 4.21Å; L160-I167 HydrophobicContact CD1-CG2 4.17Å; L160-I167 HydrophobicContact CD2-CG2 4.49Å; L160-R168 VanDerWaalsContact CA-O 3.25Å; L160-R168 WeakPolarHBondContact CA-O 3.28Å; L160-R168 WeakPolarHBondContact CB-O 3.41Å; L160-V189 HydrophobicContact CD2-CG2 4.22Å; L160-L192 HydrophobicContact CB-CD1 3.9Å; L160-L192 HydrophobicContact CD2-CD1 4.12Å; L160-L192 HydrophobicContact CD2-CD2 3.8Å; L160-V231 HydrophobicContact CD1-CB 3.79Å; L160-V231 HydrophobicContact CD1-CG2 4.04Å; L160-V231 HydrophobicContact CG-CB 4.02Å; L160-V231 PolarHBondContact N-O 2.89Å; L160-V231 VanDerWaalsContact N-O 3.13Å; L160-V231 PolarHBondContact O-N 2.81Å; L160-L315 HydrophobicContact CD1-CD1 3.99Å
161E93Very high92.6Very high1 Ų123.6 Ų23.61%0.00513%0.128CC..EExtended strand (participates in β ladder)trans-114.3151.7163.561154.9-132.400112.4Y163 I167 R168 L170 H217 S228 H229E161-Y163 WeakPolarHBondContact OE1-CB 3.4Å; E161-I167 VanDerWaalsContact O-CA 3.29Å; E161-I167 WeakPolarHBondContact O-CA 3.45Å; E161-R168 HydrophobicContact CG-CB 4.07Å; E161-R168 PolarHBondContact N-O 2.8Å; E161-R168 PolarHBondContact O-N 3.14Å; E161-R168 IonicContact OE1-CZ 3.62Å; E161-R168 IonicContact OE1-NE 3.64Å; E161-R168 PolarHBondContact OE1-NE 3.41Å; E161-R168 IonicContact OE1-NH2 2.77Å; E161-R168 PolarHBondContact OE1-NH2 3.41Å; E161-L170 HydrophobicContact CB-CD1 4.08Å; E161-L170 HydrophobicContact CB-CD2 4.18Å; E161-L170 HydrophobicContact CB-CG 4.16Å; E161-L170 HydrophobicContact CG-CD2 3.75Å; E161-L170 HydrophobicContact CG-CG 4.09Å; E161-H217 IonicContact OE1-NE2 2.91Å; E161-S228 PolarHBondContact OE2-OG 3.43Å; E161-H229 CarbonylContact C-O 3.34Å; E161-H229 WeakPolarHBondContact CA-O 3.08Å
162V92.4Very high92.7Very high2 Ų224.8 Ų24.81%0.01214%0.138CC..EExtended strand (participates in β ladder)trans-113106.2167.8-164.20000107.9L160 Q166 I167 H229 K311 L312 L315L160-V162 HydrophobicContact CD1-CG2 3.91Å; V162-Q166 WeakPolarHBondContact CA-O 3.26Å; V162-I167 HydrophobicContact CG1-CG1 4.37Å; V162-I167 HydrophobicContact CG2-CG1 4.25Å; V162-H229 HydrophobicContact CB-CB 4.2Å; V162-H229 HydrophobicContact CG2-CB 4.5Å; V162-H229 PolarHBondContact N-O 3.23Å; V162-H229 PolarHBondContact O-CD2 2.82Å; V162-H229 PolarHBondContact O-N 3.04Å; V162-K311 HydrophobicContact CG1-CB 4.42Å; V162-L312 HydrophobicContact CG2-CD1 4.46Å; V162-L315 HydrophobicContact CG2-CD1 3.95Å
163Y89.1Confident92.4Very high30 Ų3029.3 Ų29.312%0.11816%0.159CC..EExtended strand (participates in β ladder)trans-128.1133.3179.1175.2-104.3000110.2E161 E165 Q166 R227 E277 I281E161-Y163 WeakPolarHBondContact OE1-CB 3.4Å; Y163-E165 PolarHBondContact O-N 3.28Å; Y163-Q166 PolarHBondContact N-O 3.05Å; Y163-Q166 WeakPolarHBondContact O-CA 3.25Å; Y163-Q166 WeakPolarHBondContact O-CB 3.39Å; Y163-Q166 PolarHBondContact O-N 3.16Å; Y163-R227 WeakPolarHBondContact CD2-O 3.33Å; Y163-R227 HydrophobicContact CE2-CB 4.17Å; Y163-E277 HydrophobicContact CE2-CG 4.35Å; Y163-E277 WeakPolarHBondContact OH-CG 3.48Å; Y163-E277 PolarHBondContact OH-OE1 2.96Å; Y163-I281 HydrophobicContact CE2-CD1 4.5Å
164N86.6Confident91.8Very high54 Ų5429.2 Ų29.229%0.28916%0.159SC..THydrogen-bonded Turntrans4935.8-179.5-166.932.6000113.2Q166 N280N164-Q166 PolarHBondContact O-N 2.6Å; N164-N280 VanDerWaalsContact OD1-CB 3.23Å; N164-N280 WeakPolarHBondContact OD1-CB 3.11Å; N164-N280 PolarHBondContact OD1-ND2 3.29Å
165E89.3Confident91.5Very high15 Ų1528.9 Ų28.97%0.0716%0.164CC..THydrogen-bonded Turntrans56.227.5-175-71.3-96.494.400114.7Y163 R283 S310 K311Y163-E165 PolarHBondContact O-N 3.28Å; E165-R283 VanDerWaalsContact CB-NH2 3.28Å; E165-R283 VanDerWaalsContact CG-NH2 3.3Å; E165-R283 IonicContact OE2-CZ 3.39Å; E165-R283 VanDerWaalsContact OE2-CZ 3.26Å; E165-R283 IonicContact OE2-NE 3.21Å; E165-R283 PolarHBondContact OE2-NE 2.77Å; E165-R283 IonicContact OE2-NH2 2.72Å; E165-R283 PolarHBondContact OE2-NH2 2.95Å; E165-S310 WeakPolarHBondContact OE1-CB 3.29Å; E165-S310 WeakPolarHBondContact OE2-CA 3.48Å; E165-K311 VanDerWaalsContact O-CD 3.23Å; E165-K311 WeakPolarHBondContact O-CD 3.4Å; E165-K311 WeakPolarHBondContact O-CE 3.42Å; E165-K311 PolarHBondContact O-NZ 3.08Å; E165-K311 PolarHBondContact OE1-N 3.11Å
166Q90.3Very high91.3Very high80 Ų8032.6 Ų32.637%0.37419%0.189SC..EExtended strand (participates in β ladder)trans-108.3152162-59.8-174.4-1.500109V162 Y163 N164 P176V162-Q166 WeakPolarHBondContact CA-O 3.26Å; Y163-Q166 PolarHBondContact N-O 3.05Å; Y163-Q166 WeakPolarHBondContact O-CA 3.25Å; Y163-Q166 WeakPolarHBondContact O-CB 3.39Å; Y163-Q166 PolarHBondContact O-N 3.16Å; N164-Q166 PolarHBondContact O-N 2.6Å; Q166-P176 HydrophobicContact CB-CB 4.45Å
167I93.1Very high91.1Very high0 Ų032.8 Ų32.80%019%0.188CC..EExtended strand (participates in β ladder)trans-110.6137.4173.4-66.3172.6000107.6L160 E161 V162 P176 L177 V179 V189 K311 L315L160-I167 HydrophobicContact CB-CG2 4.21Å; L160-I167 HydrophobicContact CD1-CG2 4.17Å; L160-I167 HydrophobicContact CD2-CG2 4.49Å; E161-I167 VanDerWaalsContact O-CA 3.29Å; E161-I167 WeakPolarHBondContact O-CA 3.45Å; V162-I167 HydrophobicContact CG1-CG1 4.37Å; V162-I167 HydrophobicContact CG2-CG1 4.25Å; I167-P176 CarbonylContact O-C 3.55Å; I167-P176 WeakPolarHBondContact O-CA 3.36Å; I167-L177 HydrophobicContact CB-CB 4.28Å; I167-L177 HydrophobicContact CG2-CB 4.08Å; I167-L177 HydrophobicContact CG2-CD1 4.43Å; I167-L177 PolarHBondContact O-N 2.8Å; I167-V179 HydrophobicContact CD1-CG2 3.14Å; I167-V189 HydrophobicContact CD1-CG2 4.35Å; I167-V189 HydrophobicContact CG2-CG1 4.14Å; I167-K311 HydrophobicContact CD1-CB 4.3Å; I167-K311 HydrophobicContact CD1-CD 4.17Å; I167-K311 HydrophobicContact CG1-CD 4.14Å; I167-L315 HydrophobicContact CD1-CD1 3.91Å; I167-L315 HydrophobicContact CD1-CD2 4.38Å; I167-L315 HydrophobicContact CD1-CG 4.41Å
168R92.4Very high90.9Very high46 Ų4635 Ų3517%0.17421%0.206CC..EExtended strand (participates in β ladder)trans-130.1145173.3-67.3-178.3-78.6-145.68.1109.4L160 E161 H217L160-R168 VanDerWaalsContact CA-O 3.25Å; L160-R168 WeakPolarHBondContact CA-O 3.28Å; L160-R168 WeakPolarHBondContact CB-O 3.41Å; E161-R168 HydrophobicContact CG-CB 4.07Å; E161-R168 PolarHBondContact N-O 2.8Å; E161-R168 PolarHBondContact O-N 3.14Å; E161-R168 IonicContact OE1-CZ 3.62Å; E161-R168 IonicContact OE1-NE 3.64Å; E161-R168 PolarHBondContact OE1-NE 3.41Å; E161-R168 IonicContact OE1-NH2 2.77Å; E161-R168 PolarHBondContact OE1-NH2 3.41Å; R168-H217 PolarHBondContact NH1-CE1 3.49Å; R168-H217 PolarHBondContact NH2-CD2 2.85Å; R168-H217 PolarHBondContact NH2-CE1 2.85Å; R168-H217 VanDerWaalsContact NH2-CE1 3.34Å; R168-H217 PolarHBondContact NH2-NE2 2.7Å
169D94.9Very high90.6Very high10 Ų1035.6 Ų35.65%0.05321%0.21CC..EExtended strand (participates in β ladder)trans-71.7137.5165.8-162.3-51.4000108.4L171 V172 L177 L192 T193D169-L171 WeakPolarHBondContact OD1-CA 3.15Å; D169-L171 WeakPolarHBondContact OD1-CB 3.45Å; D169-L171 PolarHBondContact OD1-N 2.76Å; D169-V172 PolarHBondContact OD1-N 2.96Å; D169-V172 VanDerWaalsContact OD1-N 3.1Å; D169-L177 HydrophobicContact CB-CD1 4.19Å; D169-L192 HydrophobicContact CB-CD1 4.45Å; D169-T193 PolarHBondContact OD1-OG1 2.76Å; D169-T193 VanDerWaalsContact OD2-CB 3.31Å; D169-T193 WeakPolarHBondContact OD2-CB 3.28Å; D169-T193 WeakPolarHBondContact OD2-CG2 3.16Å; D169-T193 PolarHBondContact OD2-N 3Å; D169-T193 PolarHBondContact OD2-OG1 3.13Å
170L93.1Very high90.2Very high6 Ų642.8 Ų42.83%0.03124%0.237CC..SBendtrans-97.1-15.8177.8-74.1177.2000112.6Y159 E161 G210 N213 R214Y159-L170 HydrophobicContact CD1-CB 4.03Å; Y159-L170 HydrophobicContact CD1-CD1 3.94Å; Y159-L170 HydrophobicContact CD2-CD1 3.72Å; Y159-L170 HydrophobicContact CE1-CD1 3.87Å; Y159-L170 HydrophobicContact CE2-CD1 3.71Å; Y159-L170 HydrophobicContact CG-CB 3.98Å; Y159-L170 HydrophobicContact CG-CD1 3.84Å; Y159-L170 PolarHBondContact O-N 2.93Å; E161-L170 HydrophobicContact CB-CD1 4.08Å; E161-L170 HydrophobicContact CB-CD2 4.18Å; E161-L170 HydrophobicContact CB-CG 4.16Å; E161-L170 HydrophobicContact CG-CD2 3.75Å; E161-L170 HydrophobicContact CG-CG 4.09Å; L170-G210 WeakPolarHBondContact O-CA 3.26Å; L170-N213 HydrophobicContact CD2-CB 4.49Å; L170-N213 PolarHBondContact O-ND2 2.82Å; L170-R214 HydrophobicContact CD1-CB 4.29Å; L170-R214 HydrophobicContact CD2-CB 3.86Å
171L93.3Very high89.6Confident26 Ų2645.9 Ų45.914%0.13625%0.251CS..SBendtrans-90.9-30.3178.8-54.5-178.1000111.6Y159 D169 H195 L206Y159-L171 HydrophobicContact CD1-CD2 4.36Å; D169-L171 WeakPolarHBondContact OD1-CA 3.15Å; D169-L171 WeakPolarHBondContact OD1-CB 3.45Å; D169-L171 PolarHBondContact OD1-N 2.76Å; L171-H195 VanDerWaalsContact CD1-CD2 3.5Å; L171-H195 WeakPolarHBondContact CD1-CD2 3.45Å; L171-L206 HydrophobicContact CD2-CB 4.19Å; L171-L206 HydrophobicContact CD2-CD2 4.33Å; L171-L206 VanDerWaalsContact CD2-O 3.32Å; L171-L206 WeakPolarHBondContact CD2-O 3.05Å
172V91.3Very high88.8Confident62 Ų6249 Ų4938%0.37627%0.268SS..SBendtrans-126.6137.8177.8178.10000110.7D169 S174 T193D169-V172 PolarHBondContact OD1-N 2.96Å; D169-V172 VanDerWaalsContact OD1-N 3.1Å; V172-S174 VanDerWaalsContact C-N 3.3Å; V172-S174 PolarHBondContact O-N 2.73Å; V172-T193 HydrophobicContact CB-CG2 4.05Å; V172-T193 HydrophobicContact CG2-CG2 3.82Å
173N82.5Confident87.7Confident170 Ų17056 Ų5691%0.90931%0.31SS*.  trans-70.284.5175.3-174.211.1000110.9
174S79.3Confident86.4Confident31 Ų3162.3 Ų62.322%0.21734%0.341CS..  trans-104.8156.1179.681.30000112.2V172V172-S174 VanDerWaalsContact C-N 3.3Å; V172-S174 PolarHBondContact O-N 2.73Å
175G85.9Confident85.4Confident50 Ų5067 Ų6752%0.51536%0.359SS..  trans-65175.2163.200000112.7L177G175-L177 PolarHBondContact O-N 3.37Å
176P90.7Very high84.8Confident86 Ų8667.7 Ų67.756%0.55837%0.37SS*.  trans-59.4127.1179.8-25.335.3000113.5Q166 I167Q166-P176 HydrophobicContact CB-CB 4.45Å; I167-P176 CarbonylContact O-C 3.55Å; I167-P176 WeakPolarHBondContact O-CA 3.36Å
177L93.3Very high84.5Confident20 Ų2064.8 Ų64.811%0.10536%0.358CS..BIsolated β-bridgetrans-90.2154.4-177.2-55.7-178000113I167 D169 G175 V189 L192I167-L177 HydrophobicContact CB-CB 4.28Å; I167-L177 HydrophobicContact CG2-CB 4.08Å; I167-L177 HydrophobicContact CG2-CD1 4.43Å; I167-L177 PolarHBondContact O-N 2.8Å; D169-L177 HydrophobicContact CB-CD1 4.19Å; G175-L177 PolarHBondContact O-N 3.37Å; L177-V189 HydrophobicContact CB-CG1 3.58Å; L177-V189 HydrophobicContact CD1-CG1 3.81Å; L177-V189 HydrophobicContact CG-CG1 4.36Å; L177-L192 HydrophobicContact CD1-CB 4.12Å; L177-L192 HydrophobicContact CD1-CD1 4.15Å
178A91.2Very high84.1Confident46 Ų4667.6 Ų67.638%0.3838%0.375SS..EExtended strand (participates in β ladder)trans-108.8128.2-175.500000112.6H190A178-H190 PolarHBondContact O-N 3.49Å
179V90.6Very high84.1Confident13 Ų1366.1 Ų66.18%0.07937%0.371CS..EExtended strand (participates in β ladder)trans-83.4119.6173.3-170.70000110.4I167 V187 K311 R314 L315I167-V179 HydrophobicContact CD1-CG2 3.14Å; V179-V187 HydrophobicContact CG1-CG1 3.39Å; V179-K311 HydrophobicContact CG2-CB 4.33Å; V179-K311 HydrophobicContact CG2-CD 4.35Å; V179-K311 HydrophobicContact CG2-CG 4.34Å; V179-R314 HydrophobicContact CG1-CB 4.15Å; V179-R314 PolarHBondContact O-NH1 3.21Å; V179-R314 PolarHBondContact O-NH2 3Å; V179-L315 HydrophobicContact CG1-CD2 4.23Å; V179-L315 HydrophobicContact CG2-CD2 4.14Å
180R87.7Confident83.8Confident150 Ų15071.1 Ų71.157%0.56639%0.394SS*.EExtended strand (participates in β ladder)trans-114.5156.8174.8-60.6-172.6-179.1-168.41.4110V188R180-V188 PolarHBondContact N-O 3.01Å; R180-V188 PolarHBondContact O-N 3.39Å
181E82.4Confident83.5Confident66 Ų6673.2 Ų73.231%0.30842%0.417SS..EExtended strand (participates in β ladder)trans-111.7117.8172.3-82.6152-122.400106.9V187 R308 R314E181-V187 HydrophobicContact CG-CG2 3.96Å; E181-R308 IonicContact OE1-NE 2.79Å; E181-R308 IonicContact OE2-CZ 3.94Å; E181-R308 IonicContact OE2-NE 2.78Å; E181-R308 PolarHBondContact OE2-NE 2.7Å; E181-R308 IonicContact OE2-NH2 2.6Å; E181-R308 PolarHBondContact OE2-NH2 3.05Å; E181-R314 IonicContact OE1-CZ 2.7Å; E181-R314 IonicContact OE1-NE 2.78Å; E181-R314 PolarHBondContact OE1-NE 3.43Å; E181-R314 IonicContact OE1-NH2 3.62Å; E181-R314 PolarHBondContact OE1-NH2 3.17Å
182D76.2Confident83.5Confident66 Ų6673.4 Ų73.435%0.35342%0.418SS..EExtended strand (participates in β ladder)trans-101.1136176.8-179.2-45.4000107.9Q184 K185 G186 V188D182-Q184 VanDerWaalsContact C-N 3.28Å; D182-Q184 PolarHBondContact O-N 2.74Å; D182-Q184 PolarHBondContact OD1-N 3.48Å; D182-K185 HydrophobicContact CB-CB 3.97Å; D182-K185 PolarHBondContact OD1-N 2.66Å; D182-G186 PolarHBondContact N-O 3.17Å; D182-G186 WeakPolarHBondContact O-CA 3.13Å; D182-G186 PolarHBondContact O-N 3.5Å; D182-V188 HydrophobicContact CB-CG2 4.44Å
183T69.5Low83.6Confident148 Ų14872.2 Ų72.291%0.90841%0.411SS*.THydrogen-bonded Turntrans-68.4-25.6-176.845.50000113.5
184Q61.4Low84.1Confident163 Ų16369.3 Ų69.376%0.76239%0.394SS*.THydrogen-bonded Turntrans-101.5-35.9177.9-63.8-175.7-7.500112.2D182D182-Q184 VanDerWaalsContact C-N 3.28Å; D182-Q184 PolarHBondContact O-N 2.74Å; D182-Q184 PolarHBondContact OD1-N 3.48Å
185K64.6Low84.9Confident154 Ų15470.6 Ų70.667%0.6740%0.397SS*.THydrogen-bonded Turntrans-101.5-2.6-173.2-59.9178.9-178.5173.70114.9D182 V188D182-K185 HydrophobicContact CB-CB 3.97Å; D182-K185 PolarHBondContact OD1-N 2.66Å; K185-V188 HydrophobicContact CB-CG2 3.96Å
186G76.8Confident85.3Confident29 Ų2974.7 Ų74.730%0.29940%0.402SS..EExtended strand (participates in β ladder)trans72.3-141.9-179.600000112.6D182 V188D182-G186 PolarHBondContact N-O 3.17Å; D182-G186 WeakPolarHBondContact O-CA 3.13Å; D182-G186 PolarHBondContact O-N 3.5Å; G186-V188 PolarHBondContact O-N 3.09Å
187V83.9Confident85.5Confident19 Ų1970.9 Ų70.912%0.11538%0.378CS..EExtended strand (participates in β ladder)trans-84.2118.4-176.6-174.70000110.5V179 E181 R314 L315 K317V179-V187 HydrophobicContact CG1-CG1 3.39Å; E181-V187 HydrophobicContact CG-CG2 3.96Å; V187-R314 HydrophobicContact CG1-CB 4.46Å; V187-R314 WeakPolarHBondContact CG2-O 3.41Å; V187-L315 HydrophobicContact CG1-CD2 4.41Å; V187-K317 HydrophobicContact CG2-CB 4.29Å; V187-K317 HydrophobicContact CG2-CD 4.16Å
188V86.1Confident85.3Confident59 Ų5979.1 Ų79.136%0.35841%0.413SS..EExtended strand (participates in β ladder)trans-126.4137.2-175.6-175.60000110.6R180 D182 K185 G186R180-V188 PolarHBondContact N-O 3.01Å; R180-V188 PolarHBondContact O-N 3.39Å; D182-V188 HydrophobicContact CB-CG2 4.44Å; K185-V188 HydrophobicContact CB-CG2 3.96Å; G186-V188 PolarHBondContact O-N 3.09Å
189V91.2Very high85.3Confident14 Ų1478.9 Ų78.99%0.08541%0.408CS..EExtended strand (participates in β ladder)trans-90.4112.8171.1-176.50000108.7L160 I167 L177 G191 L192 L315L160-V189 HydrophobicContact CD2-CG2 4.22Å; I167-V189 HydrophobicContact CD1-CG2 4.35Å; I167-V189 HydrophobicContact CG2-CG1 4.14Å; L177-V189 HydrophobicContact CB-CG1 3.58Å; L177-V189 HydrophobicContact CD1-CG1 3.81Å; L177-V189 HydrophobicContact CG-CG1 4.36Å; V189-G191 PolarHBondContact O-N 3.42Å; V189-L192 HydrophobicContact CB-CB 3.9Å; V189-L192 HydrophobicContact CB-CD2 4.13Å; V189-L192 HydrophobicContact CG1-CB 3.9Å; V189-L192 PolarHBondContact O-N 2.77Å; V189-L315 HydrophobicContact CG2-CD2 3.41Å; V189-L315 VanDerWaalsContact CG2-CD2 3.41Å
190H88.4Confident85.4Confident116 Ų11679.7 Ų79.754%0.53742%0.415SS..EExtended strand (participates in β ladder)trans-76.4125.7-179.5-169.572.1000110.3A178A178-H190 PolarHBondContact O-N 3.49Å
191G87.8Confident85.6Confident50 Ų5079.9 Ų79.952%0.51542%0.422SS..THydrogen-bonded Turntrans88.73.8-176.300000115.3V189V189-G191 PolarHBondContact O-N 3.42Å
192L92.8Very high86.2Confident30 Ų3080.5 Ų80.516%0.15743%0.425CS..  trans-70.7133.3171.3-177.167.5000110.2L160 D169 L177 V189L160-L192 HydrophobicContact CB-CD1 3.9Å; L160-L192 HydrophobicContact CD2-CD1 4.12Å; L160-L192 HydrophobicContact CD2-CD2 3.8Å; D169-L192 HydrophobicContact CB-CD1 4.45Å; L177-L192 HydrophobicContact CD1-CB 4.12Å; L177-L192 HydrophobicContact CD1-CD1 4.15Å; V189-L192 HydrophobicContact CB-CB 3.9Å; V189-L192 HydrophobicContact CB-CD2 4.13Å; V189-L192 HydrophobicContact CG1-CB 3.9Å; V189-L192 PolarHBondContact O-N 2.77Å
193T93.4Very high87.1Confident37 Ų3777.4 Ų77.423%0.22741%0.408CS..  trans-80.4151.1-179.764.70000112.1S158 D169 V172 H195S158-T193 WeakPolarHBondContact CB-O 3.45Å; D169-T193 PolarHBondContact OD1-OG1 2.76Å; D169-T193 VanDerWaalsContact OD2-CB 3.31Å; D169-T193 WeakPolarHBondContact OD2-CB 3.28Å; D169-T193 WeakPolarHBondContact OD2-CG2 3.16Å; D169-T193 PolarHBondContact OD2-N 3Å; D169-T193 PolarHBondContact OD2-OG1 3.13Å; V172-T193 HydrophobicContact CB-CG2 4.05Å; V172-T193 HydrophobicContact CG2-CG2 3.82Å; T193-H195 PolarHBondContact OG1-NE2 2.73Å
194L94.1Very high88.2Confident108 Ų10872.1 Ų72.157%0.56537%0.374SS*.  trans-127.2108.8176.8-75167.2000108.5V157 Y235V157-L194 WeakPolarHBondContact O-CA 3.26Å; L194-Y235 HydrophobicContact CD2-CD2 3.82Å; L194-Y235 HydrophobicContact CD2-CE2 3.69Å
195H95.2Very high89.7Confident59 Ų5969.5 Ų69.527%0.27336%0.362SS..BIsolated β-bridgetrans-93.6148.5177.2-68.5-104.7000109.6A156 V157 L171 T193 P197 L206A156-H195 CarbonylContact C-O 3.43Å; A156-H195 WeakPolarHBondContact CA-O 3.39Å; V157-H195 HydrophobicContact CG2-CB 4.02Å; V157-H195 PolarHBondContact N-O 3.45Å; V157-H195 PolarHBondContact O-N 2.88Å; L171-H195 VanDerWaalsContact CD1-CD2 3.5Å; L171-H195 WeakPolarHBondContact CD1-CD2 3.45Å; T193-H195 PolarHBondContact OG1-NE2 2.73Å; H195-P197 VanDerWaalsContact C-CD 3.49Å; H195-P197 WeakPolarHBondContact O-CD 3.24Å; H195-L206 HydrophobicContact CB-CD1 3.89Å
196Q95.2Very high91.2Very high135 Ų13563.3 Ų63.363%0.63134%0.336SS*.  trans-116.877.7-177.2-69.3-176.6-0.900111.3T155 A156 K198T155-Q196 WeakPolarHBondContact O-CA 3.34Å; A156-Q196 HydrophobicContact CB-CG 4.15Å; Q196-K198 PolarHBondContact O-N 2.7Å
197P94.5Very high91.9Very high6 Ų662 Ų624%0.03932%0.322CS..  trans-67.8130.9-17725.9-32.8000111.8Y141 T155 V157 H195 E202 I203 L206Y141-P197 PolarHBondContact OH-O 3.19Å; T155-P197 HydrophobicContact CG2-CG 4.46Å; V157-P197 HydrophobicContact CG1-CG 3.95Å; V157-P197 HydrophobicContact CG2-CG 4.01Å; H195-P197 VanDerWaalsContact C-CD 3.49Å; H195-P197 WeakPolarHBondContact O-CD 3.24Å; P197-E202 WeakPolarHBondContact CA-OE2 3.34Å; P197-E202 HydrophobicContact CB-CB 4.01Å; P197-E202 HydrophobicContact CB-CG 3.98Å; P197-I203 HydrophobicContact CB-CB 3.89Å; P197-I203 HydrophobicContact CG-CB 3.88Å; P197-I203 HydrophobicContact CG-CD1 4.27Å; P197-I203 HydrophobicContact CG-CG1 4.2Å; P197-L206 HydrophobicContact CB-CD1 4.3Å; P197-L206 HydrophobicContact CG-CD1 4.48Å
198K89.2Confident92.3Very high194 Ų19463.8 Ų63.884%0.84333%0.331SS*.  trans-88.4-23.1-177.9-64.3180-177.6175.60113.3Q196 E202Q196-K198 PolarHBondContact O-N 2.7Å; K198-E202 PolarHBondContact N-OE2 2.68Å
199S90.8Very high92.6Very high41 Ų4163.3 Ų63.329%0.28733%0.326SS..SBendtrans-131.1164.2-179.968.40000112.4Y141 E201 E202 I203Y141-S199 VanDerWaalsContact CE1-C 3.44Å; S199-E201 VanDerWaalsContact C-N 3.25Å; S199-E201 PolarHBondContact O-N 3.43Å; S199-E201 PolarHBondContact OG-N 2.9Å; S199-E202 PolarHBondContact O-N 3.49Å; S199-E202 PolarHBondContact OG-N 3.01Å; S199-I203 PolarHBondContact O-N 2.79Å
200S91.5Very high92.6Very high30 Ų3062.6 Ų62.621%0.2132%0.322CS..Hα-helixtrans-57.2-38.1168.846.60000112.1I203 L204S200-I203 WeakPolarHBondContact O-CG2 3.42Å; S200-L204 WeakPolarHBondContact O-CB 3.42Å; S200-L204 WeakPolarHBondContact O-CG 3.26Å; S200-L204 PolarHBondContact O-N 2.91Å; S200-L204 VanDerWaalsContact O-N 3.09Å
201E92.6Very high92.6Very high153 Ų15358.1 Ų58.172%0.71530%0.302SS*.Hα-helixtrans-64.6-42.3177.9-62.8164.8179.300111.9S199 L204 H205S199-E201 VanDerWaalsContact C-N 3.25Å; S199-E201 PolarHBondContact O-N 3.43Å; S199-E201 PolarHBondContact OG-N 2.9Å; E201-L204 PolarHBondContact O-N 2.89Å; E201-H205 WeakPolarHBondContact O-CB 3.38Å; E201-H205 PolarHBondContact O-N 2.83Å
202E94.7Very high92.5Very high80 Ų8060.8 Ų60.837%0.37430%0.3SS..Hα-helixtrans-67.1-42.3-179-169.5-179.8178.600111.9P197 K198 S199 H205 L206P197-E202 WeakPolarHBondContact CA-OE2 3.34Å; P197-E202 HydrophobicContact CB-CB 4.01Å; P197-E202 HydrophobicContact CB-CG 3.98Å; K198-E202 PolarHBondContact N-OE2 2.68Å; S199-E202 PolarHBondContact O-N 3.49Å; S199-E202 PolarHBondContact OG-N 3.01Å; E202-H205 PolarHBondContact O-N 2.84Å; E202-L206 WeakPolarHBondContact O-CG 3.38Å; E202-L206 PolarHBondContact O-N 3.04Å
203I94.6Very high92.3Very high0 Ų062.5 Ų62.50%031%0.309CS..Hα-helixtrans-67.3-36.4176.2-171.4167.1000112.2M137 Y141 V157 P197 S199 S200 L206 L207 F232 I234M137-I203 HydrophobicContact CB-CG2 4.15Å; M137-I203 HydrophobicContact CG-CD1 4.1Å; M137-I203 HydrophobicContact CG-CG1 4.21Å; M137-I203 HydrophobicContact CG-CG2 4.38Å; M137-I203 HydrophobicContact SD-CD1 3.42Å; M137-I203 WeakPolarHBondContact SD-CD1 3.47Å; M137-I203 HydrophobicContact SD-CG1 4.13Å; Y141-I203 HydrophobicContact CD2-CG2 4.14Å; Y141-I203 HydrophobicContact CE2-CB 4.28Å; Y141-I203 HydrophobicContact CE2-CD1 4.06Å; Y141-I203 HydrophobicContact CE2-CG2 3.61Å; V157-I203 HydrophobicContact CG1-CD1 3.48Å; V157-I203 VanDerWaalsContact CG1-CD1 3.48Å; V157-I203 HydrophobicContact CG1-CG1 3.98Å; P197-I203 HydrophobicContact CB-CB 3.89Å; P197-I203 HydrophobicContact CG-CB 3.88Å; P197-I203 HydrophobicContact CG-CD1 4.27Å; P197-I203 HydrophobicContact CG-CG1 4.2Å; S199-I203 PolarHBondContact O-N 2.79Å; S200-I203 WeakPolarHBondContact O-CG2 3.42Å; I203-L206 PolarHBondContact O-N 2.86Å; I203-L207 PolarHBondContact O-N 2.78Å; I203-F232 HydrophobicContact CD1-CE1 4.33Å; I203-F232 HydrophobicContact CD1-CZ 4.23Å; I203-F232 HydrophobicContact CG1-CE1 4.37Å; I203-F232 HydrophobicContact CG1-CZ 3.88Å; I203-I234 HydrophobicContact CD1-CG1 4.41Å
204L93.3Very high91.9Very high38 Ų3861 Ų6120%0.19930%0.299CS..Hα-helixtrans-68.7-40.7175.5-70.7178.7000111.5Y134 M137 S200 E201 L206 L207 D208Y134-L204 HydrophobicContact CD1-CD2 3.51Å; Y134-L204 HydrophobicContact CE1-CD2 4.1Å; Y134-L204 HydrophobicContact CG-CD2 4.14Å; M137-L204 HydrophobicContact CB-CD2 3.89Å; M137-L204 HydrophobicContact CB-CG 4.5Å; M137-L204 HydrophobicContact CG-CD2 4.24Å; S200-L204 WeakPolarHBondContact O-CB 3.42Å; S200-L204 WeakPolarHBondContact O-CG 3.26Å; S200-L204 PolarHBondContact O-N 2.91Å; S200-L204 VanDerWaalsContact O-N 3.09Å; E201-L204 PolarHBondContact O-N 2.89Å; L204-L206 VanDerWaalsContact C-N 3.33Å; L204-L206 PolarHBondContact O-N 3.36Å; L204-L207 HydrophobicContact CD2-CD2 4.44Å; L204-L207 WeakPolarHBondContact O-CB 3.46Å; L204-L207 PolarHBondContact O-N 3.21Å; L204-D208 PolarHBondContact O-N 3.34Å
205H94.1Very high90.4Very high108 Ų10860.2 Ų60.250%0.530%0.299SS..Hα-helixtrans-63.2-37173.7178.5-118.2000112.6E201 E202 N209E201-H205 WeakPolarHBondContact O-CB 3.38Å; E201-H205 PolarHBondContact O-N 2.83Å; E202-H205 PolarHBondContact O-N 2.84Å; H205-N209 PolarHBondContact CD2-ND2 3.32Å; H205-N209 PolarHBondContact CE1-ND2 3.18Å; H205-N209 PolarHBondContact NE2-ND2 3.29Å; H205-N209 WeakPolarHBondContact O-CB 3.26Å; H205-N209 PolarHBondContact O-N 3.33Å; H205-N209 PolarHBondContact O-ND2 3.07Å
206L94.9Very high88.6Confident24 Ų2464.6 Ų64.613%0.12632%0.319CS..Hα-helixtrans-65.1-41.4171.9-72.1170.2000112V157 L171 H195 P197 E202 I203 L204 N209 G210V157-L206 HydrophobicContact CG2-CD1 3.82Å; L171-L206 HydrophobicContact CD2-CB 4.19Å; L171-L206 HydrophobicContact CD2-CD2 4.33Å; L171-L206 VanDerWaalsContact CD2-O 3.32Å; L171-L206 WeakPolarHBondContact CD2-O 3.05Å; H195-L206 HydrophobicContact CB-CD1 3.89Å; P197-L206 HydrophobicContact CB-CD1 4.3Å; P197-L206 HydrophobicContact CG-CD1 4.48Å; E202-L206 WeakPolarHBondContact O-CG 3.38Å; E202-L206 PolarHBondContact O-N 3.04Å; I203-L206 PolarHBondContact O-N 2.86Å; L204-L206 VanDerWaalsContact C-N 3.33Å; L204-L206 PolarHBondContact O-N 3.36Å; L206-N209 PolarHBondContact O-N 3.32Å; L206-G210 PolarHBondContact O-N 3.08Å
207L92.7Very high86.8Confident0 Ų060.9 Ų60.90%030%0.302CS..Hα-helixtrans-61.1-49.2174.9-179.162.8000111.2L124 M133 Y134 Y159 I203 L204 N209 G210 N211 F232L124-L207 HydrophobicContact CD2-CD1 4.21Å; L124-L207 HydrophobicContact CD2-CD2 4.46Å; L124-L207 HydrophobicContact CD2-CG 4.47Å; M133-L207 HydrophobicContact CB-CD2 4.1Å; M133-L207 HydrophobicContact SD-CD1 4.17Å; Y134-L207 HydrophobicContact CD1-CD2 4.4Å; Y134-L207 HydrophobicContact CD2-CD2 4.01Å; Y134-L207 HydrophobicContact CE1-CD2 4.15Å; Y134-L207 HydrophobicContact CE2-CD2 3.76Å; Y134-L207 HydrophobicContact CE2-CG 4.46Å; Y134-L207 HydrophobicContact CG-CD2 4.3Å; Y159-L207 HydrophobicContact CE1-CD1 3.92Å; I203-L207 PolarHBondContact O-N 2.78Å; L204-L207 HydrophobicContact CD2-CD2 4.44Å; L204-L207 WeakPolarHBondContact O-CB 3.46Å; L204-L207 PolarHBondContact O-N 3.21Å; L207-N209 VanDerWaalsContact C-N 3.35Å; L207-N209 PolarHBondContact O-N 3.49Å; L207-G210 PolarHBondContact O-N 2.95Å; L207-N211 WeakPolarHBondContact O-CB 3.08Å; L207-N211 VanDerWaalsContact O-CG 3.26Å; L207-N211 PolarHBondContact O-N 2.93Å; L207-N211 PolarHBondContact O-ND2 3.3Å; L207-N211 VanDerWaalsContact O-ND2 3.11Å; L207-F232 HydrophobicContact CD1-CD2 4.03Å; L207-F232 HydrophobicContact CD1-CE2 4.25Å; L207-F232 HydrophobicContact CD1-CG 4.24Å
208D91.4Very high84.4Confident58 Ų5866.3 Ų66.331%0.3134%0.337SS..Hα-helixtrans-56.9-45.1176.3-76-12000112.4Y134 L204 N211 K212Y134-D208 WeakPolarHBondContact CE1-OD1 3.44Å; Y134-D208 PolarHBondContact OH-OD1 3.18Å; L204-D208 PolarHBondContact O-N 3.34Å; D208-N211 WeakPolarHBondContact O-CB 3.17Å; D208-N211 PolarHBondContact O-N 2.89Å; D208-K212 VanDerWaalsContact O-CG 3.31Å; D208-K212 WeakPolarHBondContact O-CG 3.07Å; D208-K212 PolarHBondContact O-N 2.95Å
209N91.8Very high82.4Confident48 Ų4859.7 Ų59.726%0.25731%0.313SS..Hα-helixtrans-70.2-38.5-178.4-70.1-22.3000112.1H205 L206 L207 N211 K212 N213H205-N209 PolarHBondContact CD2-ND2 3.32Å; H205-N209 PolarHBondContact CE1-ND2 3.18Å; H205-N209 PolarHBondContact NE2-ND2 3.29Å; H205-N209 WeakPolarHBondContact O-CB 3.26Å; H205-N209 PolarHBondContact O-N 3.33Å; H205-N209 PolarHBondContact O-ND2 3.07Å; L206-N209 PolarHBondContact O-N 3.32Å; L207-N209 VanDerWaalsContact C-N 3.35Å; L207-N209 PolarHBondContact O-N 3.49Å; N209-N211 VanDerWaalsContact C-N 3.32Å; N209-N211 PolarHBondContact O-N 2.81Å; N209-K212 PolarHBondContact O-N 2.89Å; N209-K212 PolarHBondContact OD1-NZ 3.49Å; N209-N213 WeakPolarHBondContact O-CB 3.14Å; N209-N213 PolarHBondContact O-N 2.77Å; N209-N213 PolarHBondContact O-ND2 3.2Å
210G91.3Very high79.8Confident0 Ų062.5 Ų62.50%033%0.325CS..Hα-helixtrans-63.6-36.4171.100000113.2L170 L206 L207 N213 R214L170-G210 WeakPolarHBondContact O-CA 3.26Å; L206-G210 PolarHBondContact O-N 3.08Å; L207-G210 PolarHBondContact O-N 2.95Å; G210-N213 PolarHBondContact O-N 2.9Å; G210-R214 WeakPolarHBondContact O-CB 3.07Å; G210-R214 PolarHBondContact O-N 3.02Å
211N87.9Confident77.2Confident21 Ų2170.2 Ų70.211%0.11236%0.36CS..Hα-helixtrans-66-40.4174.4-74.2-35.3000112.6L124 Y159 L207 D208 N209 T215L124-N211 WeakPolarHBondContact CD1-OD1 3.4Å; L124-N211 WeakPolarHBondContact CD2-ND2 3.13Å; Y159-N211 PolarHBondContact OH-OD1 2.95Å; L207-N211 WeakPolarHBondContact O-CB 3.08Å; L207-N211 VanDerWaalsContact O-CG 3.26Å; L207-N211 PolarHBondContact O-N 2.93Å; L207-N211 PolarHBondContact O-ND2 3.3Å; L207-N211 VanDerWaalsContact O-ND2 3.11Å; D208-N211 WeakPolarHBondContact O-CB 3.17Å; D208-N211 PolarHBondContact O-N 2.89Å; N209-N211 VanDerWaalsContact C-N 3.32Å; N209-N211 PolarHBondContact O-N 2.81Å; N211-T215 PolarHBondContact O-N 2.81Å; N211-T215 PolarHBondContact O-OG1 2.89Å
212K87.3Confident75.1Confident107 Ų10767 Ų6747%0.46535%0.347SS..Hα-helixtrans-60.9-47.8171.9-68164.7-159.4161.20110.5D208 N209 R214 T215 Q216D208-K212 VanDerWaalsContact O-CG 3.31Å; D208-K212 WeakPolarHBondContact O-CG 3.07Å; D208-K212 PolarHBondContact O-N 2.95Å; N209-K212 PolarHBondContact O-N 2.89Å; N209-K212 PolarHBondContact OD1-NZ 3.49Å; K212-R214 PolarHBondContact O-N 3.21Å; K212-T215 WeakPolarHBondContact O-CB 3.17Å; K212-T215 PolarHBondContact O-N 2.94Å; K212-Q216 PolarHBondContact O-N 3.11Å
213N87.6Confident73.3Confident65 Ų6566.4 Ų66.435%0.34836%0.356SS..Hα-helixtrans-62.2-43179.7-68.7-15.9000112.3L170 N209 G210 T215 Q216L170-N213 HydrophobicContact CD2-CB 4.49Å; L170-N213 PolarHBondContact O-ND2 2.82Å; N209-N213 WeakPolarHBondContact O-CB 3.14Å; N209-N213 PolarHBondContact O-N 2.77Å; N209-N213 PolarHBondContact O-ND2 3.2Å; G210-N213 PolarHBondContact O-N 2.9Å; N213-T215 PolarHBondContact O-N 2.81Å; N213-Q216 PolarHBondContact O-N 2.83Å
214R85.1Confident71.5Confident6 Ų667.6 Ų67.62%0.02336%0.364CS..Hα-helixtrans-56.6-31.4172.6-174.6-177.6178-158.93.7112.3L170 G210 K212 T224 S225 S228 D258L170-R214 HydrophobicContact CD1-CB 4.29Å; L170-R214 HydrophobicContact CD2-CB 3.86Å; G210-R214 WeakPolarHBondContact O-CB 3.07Å; G210-R214 PolarHBondContact O-N 3.02Å; K212-R214 PolarHBondContact O-N 3.21Å; R214-T224 WeakPolarHBondContact O-CG2 3.19Å; R214-S225 PolarHBondContact NH2-O 3.33Å; R214-S225 VanDerWaalsContact NH2-O 3.07Å; R214-S228 PolarHBondContact NE-OG 2.84Å; R214-S228 PolarHBondContact NH2-O 2.96Å; R214-D258 IonicContact CZ-OD2 3.31Å; R214-D258 IonicContact NH1-OD2 3.89Å; R214-D258 PolarHBondContact NH1-OD2 2.87Å; R214-D258 IonicContact NH2-OD2 2.66Å; R214-D258 PolarHBondContact NH2-OD2 3.48Å
215T63Low70.2Confident91 Ų9167.5 Ų67.556%0.55837%0.366SS*.Hα-helixtrans-80.8-28.2-175.3-55.30000113N211 K212 N213 H217 T224N211-T215 PolarHBondContact O-N 2.81Å; N211-T215 PolarHBondContact O-OG1 2.89Å; K212-T215 WeakPolarHBondContact O-CB 3.17Å; K212-T215 PolarHBondContact O-N 2.94Å; N213-T215 PolarHBondContact O-N 2.81Å; T215-H217 VanDerWaalsContact C-N 3.26Å; T215-H217 PolarHBondContact O-N 2.88Å; T215-H217 VanDerWaalsContact O-N 3.1Å; T215-T224 PolarHBondContact O-OG1 2.92Å; T215-T224 VanDerWaalsContact O-OG1 3.12Å
216Q58Low69.2Low152 Ų15263.2 Ų63.271%0.7135%0.348SS*.  trans-76.111-171.2-72.7-176.64.200116.3K212 N213K212-Q216 PolarHBondContact O-N 3.11Å; N213-Q216 PolarHBondContact O-N 2.83Å
217H56.1Low68.4Low57 Ų5764.7 Ų64.726%0.26435%0.352SS..  trans-69.9137-175.8-96.1-58.2000113.9E161 R168 T215 T219 T224E161-H217 IonicContact OE1-NE2 2.91Å; R168-H217 PolarHBondContact NH1-CE1 3.49Å; R168-H217 PolarHBondContact NH2-CD2 2.85Å; R168-H217 PolarHBondContact NH2-CE1 2.85Å; R168-H217 VanDerWaalsContact NH2-CE1 3.34Å; R168-H217 PolarHBondContact NH2-NE2 2.7Å; T215-H217 VanDerWaalsContact C-N 3.26Å; T215-H217 PolarHBondContact O-N 2.88Å; T215-H217 VanDerWaalsContact O-N 3.1Å; H217-T219 PolarHBondContact O-N 2.96Å; H217-T224 HydrophobicContact CB-CG2 4Å
218P45.3Very low68.2Low119 Ų11964.7 Ų64.777%0.77335%0.352SS*.SBendtrans-72.718.8-168.1-19.734000117.2
219T45.7Very low68.2Low56 Ų5662.1 Ų62.134%0.34434%0.338SS..SBendtrans-100.588.4-17446.40000112.1H217H217-T219 PolarHBondContact O-N 2.96Å
220D36.4Very low68.3Low100 Ų10059.8 Ų59.854%0.53533%0.326SS..THydrogen-bonded Turntrans11.2118.2164.6-63.4-38.8000119.7N222 R274D220-N222 VanDerWaalsContact C-N 3.25Å; D220-N222 PolarHBondContact O-N 3.44Å; D220-N222 PolarHBondContact O-ND2 2.93Å; D220-N222 VanDerWaalsContact O-ND2 3.11Å; D220-R274 VanDerWaalsContact CB-NH2 3.31Å; D220-R274 IonicContact OD2-CZ 2.69Å; D220-R274 IonicContact OD2-NH2 3.73Å; D220-R274 PolarHBondContact OD2-NH2 2.91Å
221M38.5Very low68.5Low192 Ų19259.9 Ų59.995%0.94633%0.326SS*.THydrogen-bonded Turntrans64.69.8139.9-136.1176.680.700118
222N46.5Very low69Low84 Ų8458.9 Ų58.945%0.44932%0.321SS..SBendtrans-127.7151.2175.2-66.9-88.5000110.9D220 T224 R227D220-N222 VanDerWaalsContact C-N 3.25Å; D220-N222 PolarHBondContact O-N 3.44Å; D220-N222 PolarHBondContact O-ND2 2.93Å; D220-N222 VanDerWaalsContact O-ND2 3.11Å; N222-T224 PolarHBondContact O-N 3.47Å; N222-T224 VanDerWaalsContact O-N 3.08Å; N222-R227 PolarHBondContact ND2-NH2 2.99Å
223A56.8Low69.4Low68 Ų6854.5 Ų54.556%0.56230%0.302SS*.  trans-63.5110178.200000111.1S225 S226A223-S225 PolarHBondContact O-N 2.84Å; A223-S225 VanDerWaalsContact O-N 3.08Å; A223-S226 WeakPolarHBondContact O-CB 3.28Å; A223-S226 PolarHBondContact O-N 3.33Å; A223-S226 PolarHBondContact O-OG 3.28Å
224T58.6Low69.8Low26 Ų2651.4 Ų51.416%0.1629%0.286CS..G310 helixtrans-56.6-30.6-170.5-39.40000113.7R214 T215 H217 N222 S226 R227R214-T224 WeakPolarHBondContact O-CG2 3.19Å; T215-T224 PolarHBondContact O-OG1 2.92Å; T215-T224 VanDerWaalsContact O-OG1 3.12Å; H217-T224 HydrophobicContact CB-CG2 4Å; N222-T224 PolarHBondContact O-N 3.47Å; N222-T224 VanDerWaalsContact O-N 3.08Å; T224-S226 PolarHBondContact O-N 3.2Å; T224-R227 PolarHBondContact O-N 3Å; T224-R227 VanDerWaalsContact O-N 3.09Å
225S65.8Low70.2Confident36 Ų3654.6 Ų54.625%0.25230%0.298SS..G310 helixtrans-59.6-23.8175.156.30000114.6R214 A223 R227R214-S225 PolarHBondContact NH2-O 3.33Å; R214-S225 VanDerWaalsContact NH2-O 3.07Å; A223-S225 PolarHBondContact O-N 2.84Å; A223-S225 VanDerWaalsContact O-N 3.08Å; S225-R227 PolarHBondContact O-N 2.95Å
226S72.6Confident71.7Confident17 Ų1750.3 Ų50.312%0.11927%0.272CS..G310 helixtrans-68.2-21175.960.60000113.9T115 A223 T224 A260 G261T115-S226 VanDerWaalsContact OG1-CB 3.3Å; T115-S226 WeakPolarHBondContact OG1-CB 3.22Å; A223-S226 WeakPolarHBondContact O-CB 3.28Å; A223-S226 PolarHBondContact O-N 3.33Å; A223-S226 PolarHBondContact O-OG 3.28Å; T224-S226 PolarHBondContact O-N 3.2Å; S226-A260 WeakPolarHBondContact O-CB 3.5Å; S226-G261 PolarHBondContact O-N 2.7Å
227R78.8Confident73.4Confident55 Ų5549 Ų4921%0.20826%0.26CS..THydrogen-bonded Turntrans-115.7-13.3-165.8-62.1-155.1-175.7171.23.9115.7Y163 N222 T224 S225 E277 I281Y163-R227 WeakPolarHBondContact CD2-O 3.33Å; Y163-R227 HydrophobicContact CE2-CB 4.17Å; N222-R227 PolarHBondContact ND2-NH2 2.99Å; T224-R227 PolarHBondContact O-N 3Å; T224-R227 VanDerWaalsContact O-N 3.09Å; S225-R227 PolarHBondContact O-N 2.95Å; R227-E277 WeakPolarHBondContact CD-OE1 3.25Å; R227-E277 IonicContact CZ-OE1 3.99Å; R227-E277 IonicContact NE-OE1 2.94Å; R227-E277 VanDerWaalsContact NH1-CD 3.34Å; R227-E277 IonicContact NH1-OE1 3.85Å; R227-E277 PolarHBondContact NH1-OE1 3.43Å; R227-E277 IonicContact NH1-OE2 3.21Å; R227-E277 PolarHBondContact NH1-OE2 3.46Å; R227-I281 HydrophobicContact CB-CD1 3.68Å; R227-I281 HydrophobicContact CG-CD1 4.05Å; R227-I281 WeakPolarHBondContact O-CD1 3.5Å; R227-I281 WeakPolarHBondContact O-CG1 3.39Å
228S88.1Confident75Confident1 Ų146.4 Ų46.41%0.00725%0.249CC..SBendtrans-118.6144173.470.50000111.4E161 R214E161-S228 PolarHBondContact OE2-OG 3.43Å; R214-S228 PolarHBondContact NE-OG 2.84Å; R214-S228 PolarHBondContact NH2-O 2.96Å
229H91.9Very high77.1Confident3 Ų342.9 Ų42.91%0.01422%0.222CC..EExtended strand (participates in β ladder)trans-83.5126.6168.4-50.3-81.5000108.3E161 V162 D258 L259 A260 S284 L312E161-H229 CarbonylContact C-O 3.34Å; E161-H229 WeakPolarHBondContact CA-O 3.08Å; V162-H229 HydrophobicContact CB-CB 4.2Å; V162-H229 HydrophobicContact CG2-CB 4.5Å; V162-H229 PolarHBondContact N-O 3.23Å; V162-H229 PolarHBondContact O-CD2 2.82Å; V162-H229 PolarHBondContact O-N 3.04Å; H229-D258 CarbonylContact C-O 3.38Å; H229-D258 WeakPolarHBondContact CA-O 3.39Å; H229-L259 HydrophobicContact CB-CD2 4.3Å; H229-L259 WeakPolarHBondContact ND1-CA 3.47Å; H229-L259 WeakPolarHBondContact ND1-CD2 3.34Å; H229-A260 VanDerWaalsContact CE1-CB 3.42Å; H229-A260 WeakPolarHBondContact CE1-CB 3.45Å; H229-A260 PolarHBondContact CE1-N 3.38Å; H229-A260 PolarHBondContact ND1-N 3.02Å; H229-S284 PolarHBondContact NE2-OG 2.96Å; H229-L312 HydrophobicContact CB-CD1 4.2Å
230A93.8Very high79Confident0 Ų042.1 Ų42.10%022%0.216CC..EExtended strand (participates in β ladder)trans-103.2131.7173.700000110Y159 I257 D258Y159-A230 HydrophobicContact CE2-CB 3.85Å; A230-I257 WeakPolarHBondContact O-CA 3.45Å; A230-D258 HydrophobicContact CB-CB 4.48Å; A230-D258 PolarHBondContact N-O 2.99Å; A230-D258 PolarHBondContact O-N 3.44Å
231V95.7Very high81.1Confident1 Ų142.1 Ų42.11%0.00621%0.211CC..EExtended strand (participates in β ladder)trans-127101.6-177.5-179.20000108.1Y159 L160 Q233 I257Y159-V231 WeakPolarHBondContact CD2-O 3.49Å; L160-V231 HydrophobicContact CD1-CB 3.79Å; L160-V231 HydrophobicContact CD1-CG2 4.04Å; L160-V231 HydrophobicContact CG-CB 4.02Å; L160-V231 PolarHBondContact N-O 2.89Å; L160-V231 VanDerWaalsContact N-O 3.13Å; L160-V231 PolarHBondContact O-N 2.81Å; V231-Q233 HydrophobicContact CG1-CG 3.83Å; V231-I257 HydrophobicContact CG1-CG1 4.15Å; V231-I257 HydrophobicContact CG2-CG1 4.27Å; V231-I257 HydrophobicContact CG2-CG2 4.18Å
232F96.4Very high82.5Confident0 Ų037.5 Ų37.50%019%0.194CC..EExtended strand (participates in β ladder)trans-92122174.2-171-107.7000108.8M133 M137 V157 Y159 I203 L207 I234 S255 L256M133-F232 HydrophobicContact CE-CB 4.45Å; M137-F232 HydrophobicContact CE-CE1 4.32Å; M137-F232 HydrophobicContact SD-CE1 3.88Å; V157-F232 HydrophobicContact CB-CZ 4.24Å; V157-F232 HydrophobicContact CG1-CZ 4.19Å; Y159-F232 AromaticContact CD1-CD2 3.93Å; Y159-F232 HydrophobicContact CD1-CD2 3.93Å; Y159-F232 HydrophobicContact CD1-CE2 4.47Å; Y159-F232 HydrophobicContact CD2-CB 3.84Å; Y159-F232 AromaticContact CD2-CD2 3.81Å; Y159-F232 HydrophobicContact CD2-CD2 3.81Å; Y159-F232 HydrophobicContact CD2-CG 4.34Å; Y159-F232 HydrophobicContact CE1-CD2 4.48Å; Y159-F232 HydrophobicContact CE2-CB 3.87Å; Y159-F232 HydrophobicContact CE2-CD2 4.32Å; Y159-F232 HydrophobicContact CG-CB 4.5Å; Y159-F232 AromaticContact CG-CD2 3.59Å; Y159-F232 HydrophobicContact CG-CD2 3.59Å; Y159-F232 HydrophobicContact CG-CE2 4.37Å; I203-F232 HydrophobicContact CD1-CE1 4.33Å; I203-F232 HydrophobicContact CD1-CZ 4.23Å; I203-F232 HydrophobicContact CG1-CE1 4.37Å; I203-F232 HydrophobicContact CG1-CZ 3.88Å; L207-F232 HydrophobicContact CD1-CD2 4.03Å; L207-F232 HydrophobicContact CD1-CE2 4.25Å; L207-F232 HydrophobicContact CD1-CG 4.24Å; F232-I234 HydrophobicContact CD1-CD1 3.76Å; F232-I234 HydrophobicContact CD1-CG1 4.03Å; F232-I234 HydrophobicContact CE1-CD1 3.8Å; F232-I234 HydrophobicContact CE1-CG1 3.64Å; F232-S255 CarbonylContact O-C 3.37Å; F232-S255 WeakPolarHBondContact O-CA 3.33Å; F232-L256 PolarHBondContact N-O 2.88Å; F232-L256 PolarHBondContact O-N 3.36Å
233Q95.9Very high82.8Confident15 Ų1538.6 Ų38.67%0.0721%0.214CC..EExtended strand (participates in β ladder)trans-116.3132-177.4-50.1-171.2-62.500110.4V157 S158 V231 Y235 M254 S255V157-Q233 VanDerWaalsContact CA-O 3.26Å; V157-Q233 WeakPolarHBondContact CA-O 3.13Å; S158-Q233 PolarHBondContact N-O 3.49Å; S158-Q233 PolarHBondContact O-N 2.82Å; S158-Q233 PolarHBondContact OG-OE1 2.82Å; V231-Q233 HydrophobicContact CG1-CG 3.83Å; Q233-Y235 HydrophobicContact CB-CE2 3.86Å; Q233-Y235 PolarHBondContact OE1-OH 2.85Å; Q233-Y235 VanDerWaalsContact OE1-OH 3.13Å; Q233-M254 CarbonylContact C-O 3.59Å; Q233-M254 WeakPolarHBondContact CA-O 3.36Å; Q233-S255 PolarHBondContact NE2-OG 2.92Å
234I95.7Very high82.8Confident0 Ų038.2 Ų38.20%021%0.208CC..EExtended strand (participates in β ladder)trans-116.6127.4174.1-50.3106.6000108.1F101 M137 L140 T155 V157 I203 F232 K253 M254 L256F101-I234 HydrophobicContact CE1-CG2 4.47Å; F101-I234 HydrophobicContact CZ-CB 4.38Å; F101-I234 HydrophobicContact CZ-CG2 4.16Å; M137-I234 HydrophobicContact CE-CD1 3.48Å; M137-I234 VanDerWaalsContact CE-CD1 3.48Å; M137-I234 HydrophobicContact CE-CG1 4.19Å; M137-I234 HydrophobicContact SD-CD1 3.91Å; M137-I234 HydrophobicContact SD-CG1 3.94Å; L140-I234 HydrophobicContact CD2-CG2 4.03Å; T155-I234 HydrophobicContact CG2-CG2 3.64Å; V157-I234 HydrophobicContact CG1-CG1 4.21Å; V157-I234 HydrophobicContact CG1-CG2 4.27Å; I203-I234 HydrophobicContact CD1-CG1 4.41Å; F232-I234 HydrophobicContact CD1-CD1 3.76Å; F232-I234 HydrophobicContact CD1-CG1 4.03Å; F232-I234 HydrophobicContact CE1-CD1 3.8Å; F232-I234 HydrophobicContact CE1-CG1 3.64Å; I234-K253 CarbonylContact O-C 3.59Å; I234-K253 WeakPolarHBondContact O-CA 3.34Å; I234-M254 HydrophobicContact CB-CB 4.42Å; I234-M254 HydrophobicContact CD1-CB 4.24Å; I234-M254 HydrophobicContact CD1-CG 4.18Å; I234-M254 HydrophobicContact CD1-SD 4.36Å; I234-M254 PolarHBondContact N-O 3.13Å; I234-M254 PolarHBondContact O-N 3.3Å; I234-L256 HydrophobicContact CD1-CD1 4.2Å; I234-L256 HydrophobicContact CD1-CG 4.31Å
235Y95.1Very high82.8Confident73 Ų7344 Ų4429%0.28624%0.236SC..EExtended strand (participates in β ladder)trans-108.6118.2174.7-60.2-92.3000107.7T155 A156 L194 Q233 A252 K253T155-Y235 CarbonylContact C-O 3.58Å; T155-Y235 WeakPolarHBondContact CA-O 3.42Å; A156-Y235 PolarHBondContact N-O 2.56Å; A156-Y235 PolarHBondContact O-N 3.4Å; L194-Y235 HydrophobicContact CD2-CD2 3.82Å; L194-Y235 HydrophobicContact CD2-CE2 3.69Å; Q233-Y235 HydrophobicContact CB-CE2 3.86Å; Q233-Y235 PolarHBondContact OE1-OH 2.85Å; Q233-Y235 VanDerWaalsContact OE1-OH 3.13Å; Y235-A252 WeakPolarHBondContact CA-O 3.36Å; Y235-K253 HydrophobicContact CD1-CB 4.26Å; Y235-K253 HydrophobicContact CD1-CG 4.29Å; Y235-K253 HydrophobicContact CE1-CB 4.23Å; Y235-K253 HydrophobicContact CE1-CD 3.87Å; Y235-K253 HydrophobicContact CE1-CG 3.88Å
236L94.2Very high82.3Confident1 Ų146.3 Ų46.31%0.00525%0.245CC..EExtended strand (participates in β ladder)trans-109.6121.7176.1-179.868.6000109F101 L102 M144 C153 Q238 I251 A252F101-L236 HydrophobicContact CD1-CD2 4.12Å; F101-L236 HydrophobicContact CE1-CB 3.62Å; F101-L236 HydrophobicContact CE1-CD2 3.87Å; F101-L236 HydrophobicContact CE1-CG 4.35Å; F101-L236 HydrophobicContact CE2-CB 4.11Å; F101-L236 HydrophobicContact CZ-CB 3.37Å; F101-L236 HydrophobicContact CZ-CD2 4.41Å; L102-L236 HydrophobicContact CD2-CD2 3.76Å; M144-L236 HydrophobicContact CE-CD1 4.35Å; M144-L236 HydrophobicContact CG-CD1 4.48Å; M144-L236 HydrophobicContact SD-CD1 3.91Å; C153-L236 HydrophobicContact CB-CD1 4.24Å; L236-Q238 HydrophobicContact CD1-CG 4.24Å; L236-Q238 HydrophobicContact CD2-CG 3.83Å; L236-Q238 HydrophobicContact CG-CG 3.78Å; L236-I251 WeakPolarHBondContact O-CA 3.34Å; L236-A252 PolarHBondContact N-O 3.13Å; L236-A252 PolarHBondContact O-N 2.91Å
237R92.9Very high82Confident125 Ų12549.6 Ų49.647%0.47226%0.259SS..EExtended strand (participates in β ladder)trans-105.2125.9167.5179.2179.8172.4-159.8-5.8108.6C153 S154 V249 R250 I251C153-R237 CarbonylContact C-O 3.48Å; C153-R237 WeakPolarHBondContact CA-O 3.31Å; S154-R237 PolarHBondContact N-O 2.99Å; S154-R237 PolarHBondContact O-N 2.61Å; R237-V249 HydrophobicContact CG-CG1 3.76Å; R237-R250 CarbonylContact C-O 3.52Å; R237-R250 WeakPolarHBondContact CA-O 3.42Å; R237-I251 HydrophobicContact CG-CG1 4.37Å
238Q90.6Very high81.9Confident3 Ų349.3 Ų49.31%0.01426%0.262CS..EExtended strand (participates in β ladder)trans-122.2143.8175.9-54.6175.7-71.700109.9L102 T152 L236 V249 R250L102-Q238 PolarHBondContact O-OE1 3.14Å; T152-Q238 WeakPolarHBondContact O-CA 3.36Å; L236-Q238 HydrophobicContact CD1-CG 4.24Å; L236-Q238 HydrophobicContact CD2-CG 3.83Å; L236-Q238 HydrophobicContact CG-CG 3.78Å; Q238-V249 CarbonylContact O-C 3.59Å; Q238-V249 VanDerWaalsContact O-CA 3.32Å; Q238-V249 WeakPolarHBondContact O-CA 3.25Å; Q238-R250 HydrophobicContact CB-CB 4.38Å; Q238-R250 PolarHBondContact N-O 3.32Å; Q238-R250 PolarHBondContact O-N 2.8Å
239Q88.3Confident81.8Confident45 Ų4549.6 Ų49.621%0.2126%0.263CS..EExtended strand (participates in β ladder)trans-140.7128.6177.1-178.5170.1-8.200108.8K151 T152 V249K151-Q239 WeakPolarHBondContact CA-O 3.31Å; T152-Q239 PolarHBondContact N-O 3.45Å; T152-Q239 PolarHBondContact O-N 3.3Å; Q239-V249 HydrophobicContact CB-CG2 4.32Å; Q239-V249 HydrophobicContact CG-CG2 4.09Å
240D85.9Confident81.7Confident40 Ų4052.2 Ų52.221%0.21427%0.273CS..EExtended strand (participates in β ladder)trans-64.7135.5178.4-56.1-44.1000110K151 T242K151-D240 WeakPolarHBondContact CE-OD1 3.35Å; K151-D240 WeakPolarHBondContact CG-OD1 3.35Å; D240-T242 VanDerWaalsContact C-N 3.33Å
241K80.6Confident81.6Confident100 Ų10055.4 Ų55.444%0.43529%0.289SS..  trans-80.7-12.5-179.7-74.7172.5156.7-172.60113.5K148 E149 E150 T152K148-K241 VanDerWaalsContact O-CE 3.25Å; K148-K241 WeakPolarHBondContact O-CE 3.34Å; K148-K241 PolarHBondContact O-NZ 2.83Å; E149-K241 WeakPolarHBondContact O-CD 3.4Å; E150-K241 WeakPolarHBondContact O-CB 3.5Å; E150-K241 PolarHBondContact O-N 3.45Å; T152-K241 WeakPolarHBondContact OG1-CE 3.38Å; T152-K241 WeakPolarHBondContact OG1-CG 3.37Å
242T67.9Low81.4Confident95 Ų9555.5 Ų55.558%0.58329%0.29SS*.SBendtrans-65.1138.1-176.1-45.60000111.8D240 S244D240-T242 VanDerWaalsContact C-N 3.33Å; T242-S244 PolarHBondContact O-N 2.93Å
243A54.3Low81.3Confident107 Ų10757.1 Ų57.188%0.88430%0.297SS*.  trans-71.624.6177.900000114.6
244S55.3Low81.3Confident60 Ų6056.4 Ų56.442%0.4229%0.294SS..  trans-72.4135.617346.60000110.6T242 N246T242-S244 PolarHBondContact O-N 2.93Å; S244-N246 PolarHBondContact O-N 2.75Å
245I58.3Low81.3Confident147 Ų14756.5 Ų56.575%0.75429%0.294SS*.SBendtrans-48.2-37.9-175.7-69.4168.2000112.4Q247 N367I245-Q247 PolarHBondContact O-N 2.77Å; I245-N367 VanDerWaalsContact C-ND2 3.32Å; I245-N367 WeakPolarHBondContact CG2-ND2 3.49Å; I245-N367 PolarHBondContact O-ND2 3.37Å
246N56.9Low81.4Confident84 Ų8453 Ų5345%0.44928%0.281SS..  trans-87.889.5178.7-65.4-44.2000112.7S244 N248 N367S244-N246 PolarHBondContact O-N 2.75Å; N246-N248 PolarHBondContact O-N 3.11Å; N246-N248 VanDerWaalsContact O-N 3.12Å; N246-N367 PolarHBondContact OD1-ND2 3.42Å
247Q66.5Low81.5Confident86 Ų8653 Ų5340%0.40228%0.28SS..  trans-72102.4167.6-65.8-176.84.600110I245 V366I245-Q247 PolarHBondContact O-N 2.77Å; Q247-V366 HydrophobicContact CB-CB 4.23Å; Q247-V366 HydrophobicContact CB-CG2 4.2Å; Q247-V366 WeakPolarHBondContact O-CB 3.21Å; Q247-V366 VanDerWaalsContact O-CG2 3.27Å; Q247-V366 WeakPolarHBondContact O-CG2 3.47Å; Q247-V366 PolarHBondContact O-N 2.75Å
248N76.4Confident81.6Confident50 Ų5047 Ų4727%0.26726%0.258SS..EExtended strand (participates in β ladder)trans-87.1123.1172-72.9-36.3000109.6N246 V363 N365N246-N248 PolarHBondContact O-N 3.11Å; N246-N248 VanDerWaalsContact O-N 3.12Å; N248-V363 HydrophobicContact CB-CG1 3.84Å; N248-N365 WeakPolarHBondContact OD1-CB 3.38Å
249V85.9Confident81.7Confident7 Ų746.9 Ų46.94%0.04226%0.257CS..EExtended strand (participates in β ladder)trans-104.5118.2174.9178.20000108.4R237 Q238 Q239 I251 L364 V366R237-V249 HydrophobicContact CG-CG1 3.76Å; Q238-V249 CarbonylContact O-C 3.59Å; Q238-V249 VanDerWaalsContact O-CA 3.32Å; Q238-V249 WeakPolarHBondContact O-CA 3.25Å; Q239-V249 HydrophobicContact CB-CG2 4.32Å; Q239-V249 HydrophobicContact CG-CG2 4.09Å; V249-I251 HydrophobicContact CG1-CD1 4.44Å; V249-I251 HydrophobicContact CG1-CG1 4.11Å; V249-L364 PolarHBondContact N-O 2.95Å; V249-L364 PolarHBondContact O-N 3.48Å; V249-V366 HydrophobicContact CG2-CG2 3.8Å
250R89.5Confident81.9Confident58 Ų5844.8 Ų44.822%0.21925%0.247CC..EExtended strand (participates in β ladder)trans-93.4136.6175.1-53.2-176.7-175.4-173.8-6.8109.3N103 R237 Q238 N362 V363N103-R250 PolarHBondContact OD1-NH1 3.23Å; R237-R250 CarbonylContact C-O 3.52Å; R237-R250 WeakPolarHBondContact CA-O 3.42Å; Q238-R250 HydrophobicContact CB-CB 4.38Å; Q238-R250 PolarHBondContact N-O 3.32Å; Q238-R250 PolarHBondContact O-N 2.8Å; R250-N362 WeakPolarHBondContact CA-O 3.41Å; R250-V363 HydrophobicContact CG-CG2 4.36Å
251I90.4Very high82Confident67 Ų6743 Ų4334%0.34424%0.238SC..EExtended strand (participates in β ladder)trans-131.4109.6177.6-55.1-176.3000110.2L236 R237 V249 N362 L364L236-I251 WeakPolarHBondContact O-CA 3.34Å; R237-I251 HydrophobicContact CG-CG1 4.37Å; V249-I251 HydrophobicContact CG1-CD1 4.44Å; V249-I251 HydrophobicContact CG1-CG1 4.11Å; I251-N362 PolarHBondContact N-O 3.01Å; I251-N362 WeakPolarHBondContact O-CB 3.09Å; I251-N362 PolarHBondContact O-ND2 3.45Å; I251-L364 HydrophobicContact CD1-CD1 3.69Å; I251-L364 HydrophobicContact CG1-CD1 4.39Å
252A93Very high82.4Confident2 Ų239 Ų392%0.01722%0.223CC..EExtended strand (participates in β ladder)trans-113143.7179.700000111.9F101 Y235 L236F101-A252 HydrophobicContact CD2-CB 3.4Å; F101-A252 VanDerWaalsContact CD2-CB 3.4Å; F101-A252 HydrophobicContact CE2-CB 3.45Å; F101-A252 VanDerWaalsContact CE2-CB 3.45Å; F101-A252 WeakPolarHBondContact CE2-O 3.49Å; F101-A252 HydrophobicContact CG-CB 4.32Å; F101-A252 HydrophobicContact CZ-CB 4.43Å; F101-A252 WeakPolarHBondContact O-CB 3.15Å; Y235-A252 WeakPolarHBondContact CA-O 3.36Å; L236-A252 PolarHBondContact N-O 3.13Å; L236-A252 PolarHBondContact O-N 2.91Å
253K93.9Very high83.2Confident34 Ų3436.3 Ų36.315%0.14820%0.204CC..EExtended strand (participates in β ladder)trans-111.2117.2169.6177.6179.763.6-178.70109.7N106 C107 I234 Y235 D318N106-K253 CarbonylContact C-O 3.42Å; N106-K253 VanDerWaalsContact CA-O 3.31Å; N106-K253 WeakPolarHBondContact CA-O 3.37Å; N106-K253 WeakPolarHBondContact OD1-CB 3.35Å; N106-K253 PolarHBondContact OD1-N 3.05Å; C107-K253 PolarHBondContact N-O 3.31Å; I234-K253 CarbonylContact O-C 3.59Å; I234-K253 WeakPolarHBondContact O-CA 3.34Å; Y235-K253 HydrophobicContact CD1-CB 4.26Å; Y235-K253 HydrophobicContact CD1-CG 4.29Å; Y235-K253 HydrophobicContact CE1-CB 4.23Å; Y235-K253 HydrophobicContact CE1-CD 3.87Å; Y235-K253 HydrophobicContact CE1-CG 3.88Å; K253-D318 IonicContact NZ-OD2 3.29Å; K253-D318 PolarHBondContact NZ-OD2 3.29Å
254M95.6Very high84.3Confident0 Ų038 Ų380%019%0.187CC..EExtended strand (participates in β ladder)trans-99.4132.9166.8-179.4171.3-75.200108.9I97 L98 F101 C107 T136 Q233 I234 L256I97-M254 HydrophobicContact CG2-CE 4.07Å; L98-M254 HydrophobicContact CD2-CE 3.98Å; F101-M254 HydrophobicContact CB-CE 3.81Å; F101-M254 HydrophobicContact CD1-CE 4.11Å; F101-M254 HydrophobicContact CD2-CB 3.74Å; F101-M254 HydrophobicContact CD2-CE 4.33Å; F101-M254 HydrophobicContact CE1-CB 4.34Å; F101-M254 HydrophobicContact CE2-CB 3.49Å; F101-M254 VanDerWaalsContact CE2-CB 3.49Å; F101-M254 VanDerWaalsContact CE2-N 3.26Å; F101-M254 HydrophobicContact CG-CB 4.3Å; F101-M254 HydrophobicContact CG-CE 3.84Å; F101-M254 HydrophobicContact CZ-CB 3.8Å; C107-M254 HydrophobicContact CB-CB 4.36Å; C107-M254 HydrophobicContact CB-CE 3.94Å; C107-M254 HydrophobicContact CB-CG 4.28Å; C107-M254 CarbonylContact O-C 3.47Å; C107-M254 VanDerWaalsContact O-CA 3.24Å; C107-M254 WeakPolarHBondContact O-CA 3.45Å; T136-M254 HydrophobicContact CG2-SD 3.77Å; Q233-M254 CarbonylContact C-O 3.59Å; Q233-M254 WeakPolarHBondContact CA-O 3.36Å; I234-M254 HydrophobicContact CB-CB 4.42Å; I234-M254 HydrophobicContact CD1-CB 4.24Å; I234-M254 HydrophobicContact CD1-CG 4.18Å; I234-M254 HydrophobicContact CD1-SD 4.36Å; I234-M254 PolarHBondContact N-O 3.13Å; I234-M254 PolarHBondContact O-N 3.3Å; M254-L256 HydrophobicContact CG-CD2 3.96Å; M254-L256 HydrophobicContact CG-CG 4.25Å; M254-L256 HydrophobicContact SD-CD2 3.96Å; M254-L256 HydrophobicContact SD-CG 4.39Å
255S96.1Very high85.1Confident2 Ų235.7 Ų35.71%0.01417%0.172CC..EExtended strand (participates in β ladder)trans-122.6118.2174.4-65.80000110.2C107 T108 V109 F232 Q233C107-S255 PolarHBondContact O-N 3.43Å; T108-S255 CarbonylContact C-O 3.54Å; T108-S255 VanDerWaalsContact CA-O 3.28Å; T108-S255 WeakPolarHBondContact CA-O 3.33Å; V109-S255 PolarHBondContact N-O 3.32Å; F232-S255 CarbonylContact O-C 3.37Å; F232-S255 WeakPolarHBondContact O-CA 3.33Å; Q233-S255 PolarHBondContact NE2-OG 2.92Å
256L96.6Very high85.4Confident0 Ų033 Ų330%017%0.166CC..EExtended strand (participates in β ladder)trans-106.5122.8176-54.4-177.7000108.4V109 M123 M133 T136 M137 F232 I234 M254V109-L256 HydrophobicContact CB-CD2 3.75Å; V109-L256 HydrophobicContact CG2-CD2 3.83Å; V109-L256 WeakPolarHBondContact O-CA 3.3Å; M123-L256 HydrophobicContact CE-CB 3.97Å; M133-L256 HydrophobicContact CB-CD1 4.21Å; M133-L256 HydrophobicContact CE-CB 3.8Å; M133-L256 WeakPolarHBondContact CE-O 3.47Å; M133-L256 HydrophobicContact CG-CB 4.01Å; M133-L256 HydrophobicContact CG-CD1 3.9Å; M133-L256 HydrophobicContact SD-CB 4.49Å; T136-L256 HydrophobicContact CG2-CD1 4.26Å; M137-L256 HydrophobicContact CE-CD1 3.48Å; M137-L256 VanDerWaalsContact CE-CD1 3.48Å; F232-L256 PolarHBondContact N-O 2.88Å; F232-L256 PolarHBondContact O-N 3.36Å; I234-L256 HydrophobicContact CD1-CD1 4.2Å; I234-L256 HydrophobicContact CD1-CG 4.31Å; M254-L256 HydrophobicContact CG-CD2 3.96Å; M254-L256 HydrophobicContact CG-CG 4.25Å; M254-L256 HydrophobicContact SD-CD2 3.96Å; M254-L256 HydrophobicContact SD-CG 4.39Å
257I96.3Very high85.7Confident0 Ų033.7 Ų33.70%017%0.174CC..EExtended strand (participates in β ladder)trans-128123.4-164.3-55.5160.8000111.2T108 V109 L110 A111 A230 V231 L259 L316T108-I257 HydrophobicContact CG2-CD1 3.54Å; V109-I257 PolarHBondContact O-N 2.85Å; L110-I257 WeakPolarHBondContact CA-O 3.34Å; L110-I257 HydrophobicContact CB-CB 3.95Å; L110-I257 HydrophobicContact CB-CD1 4.14Å; L110-I257 HydrophobicContact CB-CG2 4.41Å; A111-I257 PolarHBondContact N-O 3.18Å; A230-I257 WeakPolarHBondContact O-CA 3.45Å; V231-I257 HydrophobicContact CG1-CG1 4.15Å; V231-I257 HydrophobicContact CG2-CG1 4.27Å; V231-I257 HydrophobicContact CG2-CG2 4.18Å; I257-L259 HydrophobicContact CG2-CD2 3.49Å; I257-L259 VanDerWaalsContact CG2-CD2 3.49Å; I257-L259 HydrophobicContact CG2-CG 3.9Å; I257-L316 HydrophobicContact CD1-CD1 4.22Å; I257-L316 HydrophobicContact CD1-CD2 3.35Å; I257-L316 HydrophobicContact CD1-CG 4.44Å
258D95Very high85.6Confident1 Ų133.5 Ų33.51%0.00518%0.179CC..EExtended strand (participates in β ladder)trans-105.1101.9167.7179.845.5000108.1K119 T120 M123 R214 H229 A230K119-D258 WeakPolarHBondContact CB-OD1 3.46Å; T120-D258 PolarHBondContact N-OD1 3.44Å; T120-D258 PolarHBondContact OG1-OD1 2.89Å; T120-D258 PolarHBondContact OG1-OD2 2.69Å; M123-D258 HydrophobicContact CB-CB 4.31Å; M123-D258 HydrophobicContact CG-CB 4.17Å; R214-D258 IonicContact CZ-OD2 3.31Å; R214-D258 IonicContact NH1-OD2 3.89Å; R214-D258 PolarHBondContact NH1-OD2 2.87Å; R214-D258 IonicContact NH2-OD2 2.66Å; R214-D258 PolarHBondContact NH2-OD2 3.48Å; H229-D258 CarbonylContact C-O 3.38Å; H229-D258 WeakPolarHBondContact CA-O 3.39Å; A230-D258 HydrophobicContact CB-CB 4.48Å; A230-D258 PolarHBondContact N-O 2.99Å; A230-D258 PolarHBondContact O-N 3.44Å
259L93.6Very high85Confident0 Ų034 Ų340%020%0.195CC..PPolyproline II helixtrans-74.6159.1-179-62.2175.6000111.5L110 A111 Y112 K119 H229 I257 L285 L288 L312L110-L259 HydrophobicContact CD1-CD1 4.06Å; A111-L259 VanDerWaalsContact O-CB 3.31Å; A111-L259 WeakPolarHBondContact O-CB 3.42Å; A111-L259 WeakPolarHBondContact O-CG 3.22Å; A111-L259 PolarHBondContact O-N 3.18Å; Y112-L259 HydrophobicContact CD2-CD1 3.86Å; K119-L259 WeakPolarHBondContact CE-O 3.45Å; H229-L259 HydrophobicContact CB-CD2 4.3Å; H229-L259 WeakPolarHBondContact ND1-CA 3.47Å; H229-L259 WeakPolarHBondContact ND1-CD2 3.34Å; I257-L259 HydrophobicContact CG2-CD2 3.49Å; I257-L259 VanDerWaalsContact CG2-CD2 3.49Å; I257-L259 HydrophobicContact CG2-CG 3.9Å; L259-L285 HydrophobicContact CB-CD2 4.48Å; L259-L285 HydrophobicContact CD1-CD2 4.4Å; L259-L288 HydrophobicContact CD1-CD2 3.83Å; L259-L312 HydrophobicContact CD2-CD1 4.14Å; L259-L312 HydrophobicContact CD2-CD2 3.91Å
260A91Very high84.1Confident0 Ų034.9 Ų34.90%020%0.203CC..PPolyproline II helixtrans-63.6169.6169.400000112.2K119 S226 H229 S262 I281K119-A260 WeakPolarHBondContact CE-O 3.3Å; S226-A260 WeakPolarHBondContact O-CB 3.5Å; H229-A260 VanDerWaalsContact CE1-CB 3.42Å; H229-A260 WeakPolarHBondContact CE1-CB 3.45Å; H229-A260 PolarHBondContact CE1-N 3.38Å; H229-A260 PolarHBondContact ND1-N 3.02Å; A260-S262 PolarHBondContact O-N 3.27Å; A260-I281 HydrophobicContact CB-CG2 3.77Å
261G89.8Confident83.3Confident2 Ų241 Ų412%0.02123%0.232CC..PPolyproline II helixtrans-57.3130.817400000113.7T115 S226 E263 L285T115-G261 WeakPolarHBondContact OG1-CA 3.33Å; S226-G261 PolarHBondContact O-N 2.7Å; G261-E263 VanDerWaalsContact C-N 3.29Å; G261-E263 WeakPolarHBondContact CA-OE2 3.49Å; G261-L285 WeakPolarHBondContact O-CD1 3.21Å
262S88.9Confident82.8Confident17 Ų1740.6 Ų40.612%0.11924%0.243CC..  trans-82.2-0.6176.466.90000114.7Y112 G113 A114 A260Y112-S262 WeakPolarHBondContact OH-CB 3.45Å; G113-S262 PolarHBondContact O-N 3.04Å; G113-S262 VanDerWaalsContact O-N 3.15Å; G113-S262 PolarHBondContact O-OG 2.92Å; A114-S262 PolarHBondContact N-OG 3.36Å; A260-S262 PolarHBondContact O-N 3.27Å
263E84.3Confident81.8Confident38 Ų3846.2 Ų46.218%0.17828%0.278CS..SBendtrans-67146.4176.466-78.4-177.700112.5A114 T115 G261 N282A114-E263 WeakPolarHBondContact CA-OE2 3.38Å; T115-E263 WeakPolarHBondContact CB-OE1 3.45Å; T115-E263 PolarHBondContact N-OE2 2.78Å; T115-E263 VanDerWaalsContact OG1-CD 3.32Å; T115-E263 PolarHBondContact OG1-OE1 2.84Å; T115-E263 PolarHBondContact OG1-OE2 2.68Å; G261-E263 VanDerWaalsContact C-N 3.29Å; G261-E263 WeakPolarHBondContact CA-OE2 3.49Å; E263-N282 PolarHBondContact O-ND2 2.93Å; E263-N282 PolarHBondContact O-OD1 2.88Å
264R77.9Confident80.8Confident143 Ų14349.8 Ų49.854%0.5429%0.29SS..  trans-74133.7-176.2-58.6-178.5-175.4-175.12.4110.7S266 T267R264-S266 PolarHBondContact O-N 3.36Å; R264-T267 WeakPolarHBondContact O-CB 3.49Å; R264-T267 PolarHBondContact O-N 2.99Å; R264-T267 PolarHBondContact O-OG1 2.91Å
265A70.7Confident79.9Confident12 Ų1254.4 Ų54.410%0.09931%0.311CS..G310 helixtrans-51.8-34.9175.600000113.4T267 T268 N282A265-T267 VanDerWaalsContact C-N 3.26Å; A265-T267 PolarHBondContact O-N 3.4Å; A265-T268 PolarHBondContact O-N 2.81Å; A265-T268 VanDerWaalsContact O-N 3.16Å; A265-T268 PolarHBondContact O-OG1 3.01Å; A265-N282 PolarHBondContact N-ND2 2.95Å
266S65.8Low79.1Confident89 Ų8958.2 Ų58.262%0.62233%0.334SS*.G310 helixtrans-57.7-34.4175.154.30000113.9R264 T268R264-S266 PolarHBondContact O-N 3.36Å; S266-T268 VanDerWaalsContact C-N 3.28Å; S266-T268 PolarHBondContact O-N 3.24Å
267T63.2Low78.1Confident100 Ų10059.1 Ų59.161%0.61334%0.338SS*.G310 helixtrans-73.1-23.1-178.8-47.20000111.7R264 A265 G269R264-T267 WeakPolarHBondContact O-CB 3.49Å; R264-T267 PolarHBondContact O-N 2.99Å; R264-T267 PolarHBondContact O-OG1 2.91Å; A265-T267 VanDerWaalsContact C-N 3.26Å; A265-T267 PolarHBondContact O-N 3.4Å; T267-G269 VanDerWaalsContact C-N 3.3Å; T267-G269 PolarHBondContact O-N 3.4Å
268T63.4Low77.2Confident82 Ų8259.7 Ų59.750%0.50334%0.344SS..G310 helixtrans-79.3-7.7-177.571.50000114.4A265 S266 A270A265-T268 PolarHBondContact O-N 2.81Å; A265-T268 VanDerWaalsContact O-N 3.16Å; A265-T268 PolarHBondContact O-OG1 3.01Å; S266-T268 VanDerWaalsContact C-N 3.28Å; S266-T268 PolarHBondContact O-N 3.24Å; T268-A270 PolarHBondContact O-N 3.26Å
269G64.9Low76.6Confident59 Ų5962.7 Ų62.761%0.60836%0.362SS*.THydrogen-bonded Turntrans65.23.2179.900000115.9T267T267-G269 VanDerWaalsContact C-N 3.3Å; T267-G269 PolarHBondContact O-N 3.4Å
270A65.6Low76Confident27 Ų2764.2 Ų64.222%0.22337%0.37CS..  trans-65141.9-176.700000112.4T268 R274 F275T268-A270 PolarHBondContact O-N 3.26Å; A270-R274 HydrophobicContact CB-CB 4.09Å; A270-F275 WeakPolarHBondContact O-CD2 3.47Å
271K73.8Confident75.5Confident187 Ų18764.8 Ų64.881%0.81337%0.374SS*.  trans-122.8160.2176.9-64.6-178.5-178.7177.50110.6
272G79.1Confident75.2Confident57 Ų5766.6 Ų66.659%0.58838%0.383SS*.THydrogen-bonded Turntrans68.3-139.517600000113.6R274 F275 V276G272-R274 VanDerWaalsContact C-N 3.3Å; G272-R274 PolarHBondContact O-N 3.11Å; G272-F275 WeakPolarHBondContact O-CB 3.48Å; G272-F275 PolarHBondContact O-N 2.89Å; G272-V276 PolarHBondContact O-N 2.93Å
273T72.1Confident75.2Confident121 Ų12171.1 Ų71.174%0.74240%0.397SS*.Hα-helixtrans-56.3-39.9-176.948.90000113.3F275 V276 E277T273-F275 VanDerWaalsContact C-N 3.25Å; T273-F275 PolarHBondContact O-N 3.24Å; T273-V276 PolarHBondContact O-N 3.01Å; T273-V276 VanDerWaalsContact O-N 3.14Å; T273-E277 PolarHBondContact O-N 3.5Å
274R72.4Confident75.5Confident109 Ų10969.5 Ų69.541%0.41139%0.39SS..Hα-helixtrans-63.8-26.6176.4-65.2-178.2-176.9169.83.9113.1D220 A270 G272 G278D220-R274 VanDerWaalsContact CB-NH2 3.31Å; D220-R274 IonicContact OD2-CZ 2.69Å; D220-R274 IonicContact OD2-NH2 3.73Å; D220-R274 PolarHBondContact OD2-NH2 2.91Å; A270-R274 HydrophobicContact CB-CB 4.09Å; G272-R274 VanDerWaalsContact C-N 3.3Å; G272-R274 PolarHBondContact O-N 3.11Å; R274-G278 PolarHBondContact O-N 3.28Å
275F77.6Confident76.1Confident96 Ų9663.1 Ų63.142%0.42137%0.366SS..Hα-helixtrans-73.7-39.9173.1-177.6-97.5000111.8A270 G272 T273 G278 T279A270-F275 WeakPolarHBondContact O-CD2 3.47Å; G272-F275 WeakPolarHBondContact O-CB 3.48Å; G272-F275 PolarHBondContact O-N 2.89Å; T273-F275 VanDerWaalsContact C-N 3.25Å; T273-F275 PolarHBondContact O-N 3.24Å; F275-G278 PolarHBondContact O-N 2.95Å; F275-T279 WeakPolarHBondContact O-CB 3.3Å; F275-T279 PolarHBondContact O-N 2.83Å; F275-T279 PolarHBondContact O-OG1 3.31Å
276V78.6Confident77.1Confident83 Ų8367.9 Ų67.950%0.50339%0.39SS..Hα-helixtrans-65.1-42.7175.3-178.60000110.7G272 T273 T279 N280G272-V276 PolarHBondContact O-N 2.93Å; T273-V276 PolarHBondContact O-N 3.01Å; T273-V276 VanDerWaalsContact O-N 3.14Å; V276-T279 WeakPolarHBondContact O-CB 3.41Å; V276-T279 PolarHBondContact O-N 2.87Å; V276-N280 PolarHBondContact O-N 3.28Å
277E77Confident78.4Confident18 Ų1863.8 Ų63.88%0.08436%0.361CS..Hα-helixtrans-56-55.9171.6-174.8-157.4142.500111.3Y163 R227 T273 T279 N280 I281Y163-E277 HydrophobicContact CE2-CG 4.35Å; Y163-E277 WeakPolarHBondContact OH-CG 3.48Å; Y163-E277 PolarHBondContact OH-OE1 2.96Å; R227-E277 WeakPolarHBondContact CD-OE1 3.25Å; R227-E277 IonicContact CZ-OE1 3.99Å; R227-E277 IonicContact NE-OE1 2.94Å; R227-E277 VanDerWaalsContact NH1-CD 3.34Å; R227-E277 IonicContact NH1-OE1 3.85Å; R227-E277 PolarHBondContact NH1-OE1 3.43Å; R227-E277 IonicContact NH1-OE2 3.21Å; R227-E277 PolarHBondContact NH1-OE2 3.46Å; T273-E277 PolarHBondContact O-N 3.5Å; E277-T279 PolarHBondContact O-N 3.44Å; E277-N280 PolarHBondContact O-N 3.45Å; E277-I281 HydrophobicContact CG-CD1 4.08Å; E277-I281 WeakPolarHBondContact O-CG1 3.18Å; E277-I281 PolarHBondContact O-N 3.02Å
278G77.5Confident79.9Confident13 Ų1359.1 Ų59.113%0.13433%0.333CS..Hα-helixtrans-58.7-31.6176.900000113.7R274 F275 N282R274-G278 PolarHBondContact O-N 3.28Å; F275-G278 PolarHBondContact O-N 2.95Å; G278-N282 WeakPolarHBondContact O-CB 3.5Å; G278-N282 PolarHBondContact O-N 3.26Å; G278-N282 PolarHBondContact O-ND2 3.21Å
279T81.1Confident81.2Confident63 Ų6355.7 Ų55.739%0.38731%0.314SS..Hα-helixtrans-69.4-42.2173.8-59.10000111.6F275 V276 E277 N282 R283F275-T279 WeakPolarHBondContact O-CB 3.3Å; F275-T279 PolarHBondContact O-N 2.83Å; F275-T279 PolarHBondContact O-OG1 3.31Å; V276-T279 WeakPolarHBondContact O-CB 3.41Å; V276-T279 PolarHBondContact O-N 2.87Å; E277-T279 PolarHBondContact O-N 3.44Å; T279-N282 CarbonylContact O-C 3.57Å; T279-N282 PolarHBondContact O-N 3.26Å; T279-R283 PolarHBondContact O-N 2.64Å
280N82Confident82.6Confident32 Ų3256 Ų5617%0.17130%0.302CS..Hα-helixtrans-72.2-34.1177.6-74.6-29.8000112.9N164 V276 E277 R283N164-N280 VanDerWaalsContact OD1-CB 3.23Å; N164-N280 WeakPolarHBondContact OD1-CB 3.11Å; N164-N280 PolarHBondContact OD1-ND2 3.29Å; V276-N280 PolarHBondContact O-N 3.28Å; E277-N280 PolarHBondContact O-N 3.45Å; N280-R283 WeakPolarHBondContact O-CB 3.29Å; N280-R283 PolarHBondContact O-N 2.72Å; N280-R283 PolarHBondContact OD1-NH1 3.38Å; N280-R283 VanDerWaalsContact OD1-NH1 3.08Å
281I79.4Confident83.9Confident13 Ų1354.8 Ų54.87%0.06729%0.291CS..Hα-helixtrans-60.5-52.2169.4-63.7163.9000108.8Y163 R227 A260 E277 R283 S284Y163-I281 HydrophobicContact CE2-CD1 4.5Å; R227-I281 HydrophobicContact CB-CD1 3.68Å; R227-I281 HydrophobicContact CG-CD1 4.05Å; R227-I281 WeakPolarHBondContact O-CD1 3.5Å; R227-I281 WeakPolarHBondContact O-CG1 3.39Å; A260-I281 HydrophobicContact CB-CG2 3.77Å; E277-I281 HydrophobicContact CG-CD1 4.08Å; E277-I281 WeakPolarHBondContact O-CG1 3.18Å; E277-I281 PolarHBondContact O-N 3.02Å; I281-R283 VanDerWaalsContact C-N 3.26Å; I281-R283 PolarHBondContact O-N 3.21Å; I281-S284 PolarHBondContact O-N 3.09Å; I281-S284 PolarHBondContact O-OG 2.86Å
282N83.9Confident84.8Confident39 Ų3946 Ų4621%0.20925%0.253CS..Hα-helixtrans-62.7-27.9176.5-86.6-76.7000113.6E263 A265 G278 T279 S284 L285 L286E263-N282 PolarHBondContact O-ND2 2.93Å; E263-N282 PolarHBondContact O-OD1 2.88Å; A265-N282 PolarHBondContact N-ND2 2.95Å; G278-N282 WeakPolarHBondContact O-CB 3.5Å; G278-N282 PolarHBondContact O-N 3.26Å; G278-N282 PolarHBondContact O-ND2 3.21Å; T279-N282 CarbonylContact O-C 3.57Å; T279-N282 PolarHBondContact O-N 3.26Å; N282-S284 VanDerWaalsContact C-N 3.3Å; N282-S284 PolarHBondContact O-N 3.36Å; N282-L285 PolarHBondContact O-N 2.95Å; N282-L286 WeakPolarHBondContact O-CB 3.33Å; N282-L286 PolarHBondContact O-N 2.87Å
283R89.1Confident85.4Confident113 Ų11345.7 Ų45.743%0.42624%0.238SC..Hα-helixtrans-57.4-43.7175.3-171.3173.982.9-158.817.9111.9E165 T279 N280 I281 A287E165-R283 VanDerWaalsContact CB-NH2 3.28Å; E165-R283 VanDerWaalsContact CG-NH2 3.3Å; E165-R283 IonicContact OE2-CZ 3.39Å; E165-R283 VanDerWaalsContact OE2-CZ 3.26Å; E165-R283 IonicContact OE2-NE 3.21Å; E165-R283 PolarHBondContact OE2-NE 2.77Å; E165-R283 IonicContact OE2-NH2 2.72Å; E165-R283 PolarHBondContact OE2-NH2 2.95Å; T279-R283 PolarHBondContact O-N 2.64Å; N280-R283 WeakPolarHBondContact O-CB 3.29Å; N280-R283 PolarHBondContact O-N 2.72Å; N280-R283 PolarHBondContact OD1-NH1 3.38Å; N280-R283 VanDerWaalsContact OD1-NH1 3.08Å; I281-R283 VanDerWaalsContact C-N 3.26Å; I281-R283 PolarHBondContact O-N 3.21Å; R283-A287 VanDerWaalsContact O-CB 3.31Å; R283-A287 WeakPolarHBondContact O-CB 3.41Å; R283-A287 PolarHBondContact O-N 2.78Å
284S90.8Very high86.3Confident3 Ų340.7 Ų40.72%0.02121%0.209CC..Hα-helixtrans-67.2-41.1179.164.30000113H229 I281 N282 L288H229-S284 PolarHBondContact NE2-OG 2.96Å; I281-S284 PolarHBondContact O-N 3.09Å; I281-S284 PolarHBondContact O-OG 2.86Å; N282-S284 VanDerWaalsContact C-N 3.3Å; N282-S284 PolarHBondContact O-N 3.36Å; S284-L288 WeakPolarHBondContact O-CB 3.1Å; S284-L288 PolarHBondContact O-N 3.05Å
285L90.5Very high87.1Confident9 Ų937.1 Ų37.15%0.04720%0.198CC..Hα-helixtrans-74.8-31.3176.4-68.5-179.1000113.4Y112 L259 G261 N282 L288 G289Y112-L285 HydrophobicContact CE2-CD2 4.22Å; L259-L285 HydrophobicContact CB-CD2 4.48Å; L259-L285 HydrophobicContact CD1-CD2 4.4Å; G261-L285 WeakPolarHBondContact O-CD1 3.21Å; N282-L285 PolarHBondContact O-N 2.95Å; L285-L288 HydrophobicContact CD2-CD2 4.08Å; L285-G289 PolarHBondContact O-N 3.11Å
286L91.3Very high87.6Confident112 Ų11233.3 Ų33.359%0.58618%0.184SC*.Hα-helixtrans-69.4-40.6172.5179.662.8000111.2N282 G289 N290N282-L286 WeakPolarHBondContact O-CB 3.33Å; N282-L286 PolarHBondContact O-N 2.87Å; L286-G289 WeakPolarHBondContact O-CA 3.3Å; L286-G289 PolarHBondContact O-N 2.87Å; L286-N290 VanDerWaalsContact O-CG 3.26Å; L286-N290 PolarHBondContact O-N 2.67Å; L286-N290 PolarHBondContact O-ND2 3.08Å
287A93.4Very high87.9Confident4 Ų433.1 Ų33.13%0.03318%0.18CC..Hα-helixtrans-62.3-45.6172.500000111.2R283 G289 N290 V291 N309 T313R283-A287 VanDerWaalsContact O-CB 3.31Å; R283-A287 WeakPolarHBondContact O-CB 3.41Å; R283-A287 PolarHBondContact O-N 2.78Å; A287-G289 PolarHBondContact O-N 2.94Å; A287-N290 PolarHBondContact O-N 3.38Å; A287-V291 WeakPolarHBondContact O-CG2 3.38Å; A287-V291 PolarHBondContact O-N 3.46Å; A287-N309 HydrophobicContact CB-CB 3.99Å; A287-T313 HydrophobicContact CB-CG2 3.98Å
288L93.5Very high87.5Confident2 Ų235.5 Ų35.51%0.0120%0.199CC..Hα-helixtrans-56.5-43.2171.6-170.171.6000110.6L259 S284 L285 N290 V291 I292 T313 L316 L320 Y348L259-L288 HydrophobicContact CD1-CD2 3.83Å; S284-L288 WeakPolarHBondContact O-CB 3.1Å; S284-L288 PolarHBondContact O-N 3.05Å; L285-L288 HydrophobicContact CD2-CD2 4.08Å; L288-N290 PolarHBondContact O-N 2.82Å; L288-V291 PolarHBondContact O-N 2.9Å; L288-I292 PolarHBondContact O-N 3.3Å; L288-T313 VanDerWaalsContact CA-CG2 3.45Å; L288-T313 HydrophobicContact CB-CG2 4.04Å; L288-T313 HydrophobicContact CD1-CG2 4.17Å; L288-T313 VanDerWaalsContact N-CG2 3.29Å; L288-L316 HydrophobicContact CD1-CD1 4.14Å; L288-L320 HydrophobicContact CD1-CD1 3.47Å; L288-L320 VanDerWaalsContact CD1-CD1 3.47Å; L288-Y348 WeakPolarHBondContact CG-OH 3.44Å; L288-Y348 PolarHBondContact O-OH 3.19Å
289G91.9Very high87.1Confident10 Ų1044.5 Ų44.510%0.10323%0.234CC..Hα-helixtrans-50.5-52.9172.600000113.1L285 L286 A287 I292 N293 Y348L285-G289 PolarHBondContact O-N 3.11Å; L286-G289 WeakPolarHBondContact O-CA 3.3Å; L286-G289 PolarHBondContact O-N 2.87Å; A287-G289 PolarHBondContact O-N 2.94Å; G289-I292 PolarHBondContact O-N 2.94Å; G289-N293 VanDerWaalsContact O-CG 3.22Å; G289-N293 PolarHBondContact O-N 3.32Å; G289-N293 PolarHBondContact O-ND2 2.95Å; G289-Y348 WeakPolarHBondContact CA-OH 3.43Å; G289-Y348 PolarHBondContact N-OH 3.35Å
290N93.2Very high86.4Confident66 Ų6648.2 Ų48.235%0.35324%0.241SC..Hα-helixtrans-69-35.2-178.8-66-26.7000112.9L286 A287 L288 A294 P306L286-N290 VanDerWaalsContact O-CG 3.26Å; L286-N290 PolarHBondContact O-N 2.67Å; L286-N290 PolarHBondContact O-ND2 3.08Å; A287-N290 PolarHBondContact O-N 3.38Å; L288-N290 PolarHBondContact O-N 2.82Å; N290-A294 VanDerWaalsContact O-CB 3.29Å; N290-A294 WeakPolarHBondContact O-CB 3.47Å; N290-A294 PolarHBondContact O-N 3.33Å; N290-P306 HydrophobicContact CB-CG 4.13Å
291V93.8Very high85.3Confident0 Ų056 Ų560%027%0.273CS..Hα-helixtrans-63.9-48.8173.4166.90000110.9A287 L288 N293 A294 L295 I305 P306 Y307 T313 L320A287-V291 WeakPolarHBondContact O-CG2 3.38Å; A287-V291 PolarHBondContact O-N 3.46Å; L288-V291 PolarHBondContact O-N 2.9Å; V291-N293 PolarHBondContact O-N 3.4Å; V291-A294 PolarHBondContact O-N 2.8Å; V291-L295 HydrophobicContact CG1-CD1 3.76Å; V291-L295 HydrophobicContact CG1-CG 4.48Å; V291-L295 WeakPolarHBondContact O-CB 3.39Å; V291-L295 WeakPolarHBondContact O-CG 3.07Å; V291-L295 PolarHBondContact O-N 2.86Å; V291-I305 HydrophobicContact CB-CG2 4.39Å; V291-I305 HydrophobicContact CG1-CG2 4.02Å; V291-I305 HydrophobicContact CG2-CG2 4.17Å; V291-P306 HydrophobicContact CG2-CG 4.22Å; V291-Y307 HydrophobicContact CG1-CD1 3.93Å; V291-Y307 HydrophobicContact CG1-CE1 3.46Å; V291-Y307 VanDerWaalsContact CG1-CE1 3.46Å; V291-Y307 HydrophobicContact CG2-CD1 4.02Å; V291-Y307 HydrophobicContact CG2-CE1 4.36Å; V291-T313 HydrophobicContact CB-CG2 4.49Å; V291-T313 HydrophobicContact CG2-CG2 3.94Å; V291-L320 HydrophobicContact CG1-CB 4.29Å; V291-L320 HydrophobicContact CG1-CD1 3.99Å
292I92.2Very high84.5Confident4 Ų463.2 Ų63.22%0.02131%0.312CS..Hα-helixtrans-62.2-44.8177.7-71-153.4000111.7M12 L288 G289 A294 L295 A296 L320 Y348 R351 A352 I355M12-I292 HydrophobicContact CE-CD1 4.47Å; L288-I292 PolarHBondContact O-N 3.3Å; G289-I292 PolarHBondContact O-N 2.94Å; I292-A294 VanDerWaalsContact C-N 3.32Å; I292-A294 PolarHBondContact O-N 2.8Å; I292-L295 PolarHBondContact O-N 2.95Å; I292-A296 WeakPolarHBondContact O-CB 3.45Å; I292-A296 PolarHBondContact O-N 3.1Å; I292-L320 HydrophobicContact CD1-CD2 4.44Å; I292-Y348 HydrophobicContact CB-CE2 3.8Å; I292-Y348 HydrophobicContact CD1-CE1 3.98Å; I292-Y348 HydrophobicContact CD1-CE2 4.3Å; I292-Y348 VanDerWaalsContact CD1-OH 3.31Å; I292-Y348 WeakPolarHBondContact CD1-OH 3.42Å; I292-Y348 HydrophobicContact CG1-CE2 4.36Å; I292-Y348 VanDerWaalsContact CG1-OH 3.28Å; I292-Y348 WeakPolarHBondContact CG1-OH 3.31Å; I292-Y348 HydrophobicContact CG2-CD2 4.42Å; I292-Y348 HydrophobicContact CG2-CE2 3.78Å; I292-R351 HydrophobicContact CG2-CB 4.32Å; I292-A352 HydrophobicContact CD1-CB 3.99Å; I292-A352 HydrophobicContact CG2-CB 4.26Å; I292-I355 HydrophobicContact CB-CD1 4.08Å; I292-I355 HydrophobicContact CD1-CD1 3.93Å; I292-I355 HydrophobicContact CG1-CD1 3.7Å; I292-I355 HydrophobicContact CG2-CD1 4.03Å
293N91.2Very high84.2Confident49 Ų4965.3 Ų65.326%0.26232%0.321SS..Hα-helixtrans-60.9-40.5176.6-67.2-40000112G289 V291 D297 R351G289-N293 VanDerWaalsContact O-CG 3.22Å; G289-N293 PolarHBondContact O-N 3.32Å; G289-N293 PolarHBondContact O-ND2 2.95Å; V291-N293 PolarHBondContact O-N 3.4Å; N293-D297 PolarHBondContact O-N 3.39Å; N293-R351 VanDerWaalsContact OD1-CD 3.26Å; N293-R351 WeakPolarHBondContact OD1-CD 3.26Å; N293-R351 PolarHBondContact OD1-NH1 3.41Å
294A91.6Very high84.2Confident17 Ų1767 Ų6714%0.1433%0.333CS..Hα-helixtrans-70.5-32.6178.800000113.4N290 V291 I292N290-A294 VanDerWaalsContact O-CB 3.29Å; N290-A294 WeakPolarHBondContact O-CB 3.47Å; N290-A294 PolarHBondContact O-N 3.33Å; V291-A294 PolarHBondContact O-N 2.8Å; I292-A294 VanDerWaalsContact C-N 3.32Å; I292-A294 PolarHBondContact O-N 2.8Å
295L89.9Confident84.1Confident34 Ų3469.1 Ų69.118%0.17834%0.344CS..Hα-helixtrans-76.4-36.1176.6-76.6169000113.1V291 I292 I305 L320 I355V291-L295 HydrophobicContact CG1-CD1 3.76Å; V291-L295 HydrophobicContact CG1-CG 4.48Å; V291-L295 WeakPolarHBondContact O-CB 3.39Å; V291-L295 WeakPolarHBondContact O-CG 3.07Å; V291-L295 PolarHBondContact O-N 2.86Å; I292-L295 PolarHBondContact O-N 2.95Å; L295-I305 HydrophobicContact CD2-CD1 3.63Å; L295-I305 HydrophobicContact CD2-CG1 4.44Å; L295-I305 HydrophobicContact CG-CD1 4.39Å; L295-I305 HydrophobicContact CG-CG2 4.43Å; L295-L320 HydrophobicContact CD1-CB 3.84Å; L295-I355 HydrophobicContact CB-CD1 4.14Å; L295-I355 HydrophobicContact CB-CG1 3.84Å; L295-I355 HydrophobicContact CB-CG2 4.22Å; L295-I355 HydrophobicContact CD1-CD1 4.12Å; L295-I355 HydrophobicContact CD1-CG2 4.1Å
296A87.9Confident84.3Confident16 Ų1669.7 Ų69.713%0.13235%0.348CS..Hα-helixtrans-70.1-30.2178.300000112.8I292 S298 R351 D354I292-A296 WeakPolarHBondContact O-CB 3.45Å; I292-A296 PolarHBondContact O-N 3.1Å; A296-S298 VanDerWaalsContact C-N 3.25Å; A296-S298 PolarHBondContact O-N 2.84Å; A296-R351 HydrophobicContact CB-CB 4.41Å; A296-R351 WeakPolarHBondContact CB-O 3.48Å; A296-D354 HydrophobicContact CB-CB 4.01Å
297D84Confident84.3Confident78 Ų7865.7 Ų65.742%0.41733%0.325SS..  trans-71.772.1-178.6-105.5-18.5000112.5N293 K299 R300N293-D297 PolarHBondContact O-N 3.39Å; D297-K299 PolarHBondContact O-N 3.47Å; D297-R300 PolarHBondContact O-N 2.64Å
298S68.2Low84.3Confident69 Ų6973.8 Ų73.848%0.48336%0.355SS..THydrogen-bonded Turntrans-53.5-15.9179-74.30000114.9A296 R300A296-S298 VanDerWaalsContact C-N 3.25Å; A296-S298 PolarHBondContact O-N 2.84Å; S298-R300 VanDerWaalsContact C-N 3.28Å; S298-R300 PolarHBondContact O-N 3.47Å
299K69.6Low84.2Confident202 Ų20278.2 Ų78.288%0.87838%0.379SS*.THydrogen-bonded Turntrans-74.5-12.2174.7-64.1-176.1180-178.80113.7D297D297-K299 PolarHBondContact O-N 3.47Å
300R66.9Low84.3Confident141 Ų14177.9 Ų77.953%0.53238%0.375SS..  trans-123.552.8-172-59.3-174.3-177.8179.23.3112.9D297 S298 N302 Q303D297-R300 PolarHBondContact O-N 2.64Å; S298-R300 VanDerWaalsContact C-N 3.28Å; S298-R300 PolarHBondContact O-N 3.47Å; R300-N302 PolarHBondContact O-N 2.98Å; R300-Q303 HydrophobicContact CB-CB 4.04Å; R300-Q303 PolarHBondContact O-N 3Å
301K58.6Low84.3Confident194 Ų19477.5 Ų77.584%0.84337%0.37SS*.THydrogen-bonded Turntrans-52.7-19.4-174.3-68.4-172.8175.8-177.70116.4
302N62.8Low84.3Confident165 Ų16577.5 Ų77.588%0.88237%0.37SS*.THydrogen-bonded Turntrans-112.215.7179.3-64.4-3.5000113.9R300R300-N302 PolarHBondContact O-N 2.98Å
303Q78.8Confident84.4Confident83 Ų8377.3 Ų77.339%0.38837%0.369SS..PPolyproline II helixtrans-75.4133177.4-177.4170.4-500111.5R300 I305R300-Q303 HydrophobicContact CB-CB 4.04Å; R300-Q303 PolarHBondContact O-N 3Å; Q303-I305 PolarHBondContact O-N 3.1Å
304H87.1Confident84.5Confident148 Ų14877.3 Ų77.369%0.68537%0.366SS*.PPolyproline II helixtrans-61.1117.5172.4169.3-88.3000111.5
305I90.6Very high84.6Confident49 Ų4977.1 Ų77.125%0.25136%0.362SS..PPolyproline II helixtrans-83.7123179.7-54.2157.9000109.5V291 L295 Q303 Y307V291-I305 HydrophobicContact CB-CG2 4.39Å; V291-I305 HydrophobicContact CG1-CG2 4.02Å; V291-I305 HydrophobicContact CG2-CG2 4.17Å; L295-I305 HydrophobicContact CD2-CD1 3.63Å; L295-I305 HydrophobicContact CD2-CG1 4.44Å; L295-I305 HydrophobicContact CG-CD1 4.39Å; L295-I305 HydrophobicContact CG-CG2 4.43Å; Q303-I305 PolarHBondContact O-N 3.1Å; I305-Y307 HydrophobicContact CB-CD2 3.97Å; I305-Y307 HydrophobicContact CB-CE2 3.55Å; I305-Y307 HydrophobicContact CD1-CE2 3.98Å; I305-Y307 HydrophobicContact CG1-CE2 4.4Å; I305-Y307 HydrophobicContact CG2-CD1 4.38Å; I305-Y307 HydrophobicContact CG2-CD2 3.81Å; I305-Y307 HydrophobicContact CG2-CE1 3.98Å; I305-Y307 HydrophobicContact CG2-CE2 3.37Å; I305-Y307 HydrophobicContact CG2-CG 4.29Å; I305-Y307 VanDerWaalsContact CG2-CZ 3.43Å; I305-Y307 PolarHBondContact O-N 2.93Å
306P92.9Very high84.7Confident21 Ų2175.6 Ų75.614%0.13635%0.354CS..  trans-81.646.9-166.634.2-38.2000114.5N290 V291 R308 N309N290-P306 HydrophobicContact CB-CG 4.13Å; V291-P306 HydrophobicContact CG2-CG 4.22Å; P306-R308 PolarHBondContact O-N 3.18Å; P306-R308 VanDerWaalsContact O-N 3.07Å; P306-N309 WeakPolarHBondContact O-CB 3Å; P306-N309 PolarHBondContact O-N 2.76Å; P306-N309 VanDerWaalsContact O-N 3.1Å
307Y92.4Very high84.8Confident27 Ų2779 Ų7911%0.10637%0.366CS..G310 helixtrans-54.2-31.7-179.8-66-69.9000113.5V291 I305 N309 T313 R314 K317 L320V291-Y307 HydrophobicContact CG1-CD1 3.93Å; V291-Y307 HydrophobicContact CG1-CE1 3.46Å; V291-Y307 VanDerWaalsContact CG1-CE1 3.46Å; V291-Y307 HydrophobicContact CG2-CD1 4.02Å; V291-Y307 HydrophobicContact CG2-CE1 4.36Å; I305-Y307 HydrophobicContact CB-CD2 3.97Å; I305-Y307 HydrophobicContact CB-CE2 3.55Å; I305-Y307 HydrophobicContact CD1-CE2 3.98Å; I305-Y307 HydrophobicContact CG1-CE2 4.4Å; I305-Y307 HydrophobicContact CG2-CD1 4.38Å; I305-Y307 HydrophobicContact CG2-CD2 3.81Å; I305-Y307 HydrophobicContact CG2-CE1 3.98Å; I305-Y307 HydrophobicContact CG2-CE2 3.37Å; I305-Y307 HydrophobicContact CG2-CG 4.29Å; I305-Y307 VanDerWaalsContact CG2-CZ 3.43Å; I305-Y307 PolarHBondContact O-N 2.93Å; Y307-N309 VanDerWaalsContact C-N 3.26Å; Y307-N309 PolarHBondContact O-N 2.87Å; Y307-T313 WeakPolarHBondContact CD1-O 3.45Å; Y307-T313 CarbonylContact O-C 3.59Å; Y307-T313 VanDerWaalsContact O-CB 3.31Å; Y307-T313 WeakPolarHBondContact O-CB 3.45Å; Y307-T313 PolarHBondContact O-OG1 2.86Å; Y307-R314 VanDerWaalsContact O-CG 3.26Å; Y307-R314 WeakPolarHBondContact O-CG 3.32Å; Y307-R314 PolarHBondContact O-N 2.62Å; Y307-K317 HydrophobicContact CD1-CB 4.07Å; Y307-K317 HydrophobicContact CD1-CG 4.1Å; Y307-K317 HydrophobicContact CD2-CD 4.46Å; Y307-K317 HydrophobicContact CD2-CG 3.98Å; Y307-K317 HydrophobicContact CE1-CB 4.43Å; Y307-K317 HydrophobicContact CE1-CG 4.28Å; Y307-K317 HydrophobicContact CE2-CG 4.14Å; Y307-K317 HydrophobicContact CG-CB 4.26Å; Y307-K317 HydrophobicContact CG-CG 3.95Å; Y307-L320 HydrophobicContact CE1-CB 4.36Å; Y307-L320 PolarHBondContact OH-O 3.29Å
308R92.6Very high85Confident175 Ų17577.3 Ų77.366%0.6636%0.357SS*.G310 helixtrans-74-7.5-177.5-70.8-175.9172.31730.7114.9E181 P306 S310 R314E181-R308 IonicContact OE1-NE 2.79Å; E181-R308 IonicContact OE2-CZ 3.94Å; E181-R308 IonicContact OE2-NE 2.78Å; E181-R308 PolarHBondContact OE2-NE 2.7Å; E181-R308 IonicContact OE2-NH2 2.6Å; E181-R308 PolarHBondContact OE2-NH2 3.05Å; P306-R308 PolarHBondContact O-N 3.18Å; P306-R308 VanDerWaalsContact O-N 3.07Å; R308-S310 VanDerWaalsContact C-N 3.26Å; R308-S310 PolarHBondContact O-N 3.1Å; R308-R314 HydrophobicContact CG-CG 4.41Å
309N92.3Very high86.1Confident94 Ų9474.1 Ų74.150%0.50334%0.335SS..G310 helixtrans-73.1-12.3-175.8-71.618.7000114.7A287 P306 Y307A287-N309 HydrophobicContact CB-CB 3.99Å; P306-N309 WeakPolarHBondContact O-CB 3Å; P306-N309 PolarHBondContact O-N 2.76Å; P306-N309 VanDerWaalsContact O-N 3.1Å; Y307-N309 VanDerWaalsContact C-N 3.26Å; Y307-N309 PolarHBondContact O-N 2.87Å
310S94.4Very high87.1Confident4 Ų464.6 Ų64.63%0.02829%0.293CS..SBendtrans-147.5163.4169.476.80000111.3E165 R308 T313 R314E165-S310 WeakPolarHBondContact OE1-CB 3.29Å; E165-S310 WeakPolarHBondContact OE2-CA 3.48Å; R308-S310 VanDerWaalsContact C-N 3.26Å; R308-S310 PolarHBondContact O-N 3.1Å; S310-T313 PolarHBondContact N-OG1 2.91Å; S310-T313 PolarHBondContact O-OG1 3.38Å; S310-T313 PolarHBondContact OG-N 2.87Å; S310-T313 PolarHBondContact OG-OG1 3.28Å; S310-R314 WeakPolarHBondContact O-CG 3.5Å; S310-R314 PolarHBondContact O-N 2.84Å
311K93.1Very high87.8Confident57 Ų5759 Ų5925%0.24828%0.28CS..Hα-helixtrans-68.8-38.5173.8-71.1-172-174.8165.80111.6V162 E165 I167 V179 R314 L315V162-K311 HydrophobicContact CG1-CB 4.42Å; E165-K311 VanDerWaalsContact O-CD 3.23Å; E165-K311 WeakPolarHBondContact O-CD 3.4Å; E165-K311 WeakPolarHBondContact O-CE 3.42Å; E165-K311 PolarHBondContact O-NZ 3.08Å; E165-K311 PolarHBondContact OE1-N 3.11Å; I167-K311 HydrophobicContact CD1-CB 4.3Å; I167-K311 HydrophobicContact CD1-CD 4.17Å; I167-K311 HydrophobicContact CG1-CD 4.14Å; V179-K311 HydrophobicContact CG2-CB 4.33Å; V179-K311 HydrophobicContact CG2-CD 4.35Å; V179-K311 HydrophobicContact CG2-CG 4.34Å; K311-R314 PolarHBondContact O-N 2.88Å; K311-L315 WeakPolarHBondContact O-CG 3.42Å; K311-L315 PolarHBondContact O-N 3.44Å; K311-L315 VanDerWaalsContact O-N 3.08Å
312L93.4Very high89.2Confident0 Ų050.5 Ų50.50%025%0.247CC..Hα-helixtrans-57-51.7177.2-179.468.2000111.5V162 H229 L259 R314 L315 L316V162-L312 HydrophobicContact CG2-CD1 4.46Å; H229-L312 HydrophobicContact CB-CD1 4.2Å; L259-L312 HydrophobicContact CD2-CD1 4.14Å; L259-L312 HydrophobicContact CD2-CD2 3.91Å; L312-R314 PolarHBondContact O-N 2.83Å; L312-L315 WeakPolarHBondContact O-CB 3.36Å; L312-L315 PolarHBondContact O-N 3.32Å; L312-L315 VanDerWaalsContact O-N 3.09Å; L312-L316 HydrophobicContact CD1-CD1 3.89Å; L312-L316 HydrophobicContact CD1-CG 4.22Å; L312-L316 HydrophobicContact CG-CD1 4.04Å; L312-L316 HydrophobicContact CG-CG 4.48Å; L312-L316 WeakPolarHBondContact O-CG 3.12Å; L312-L316 PolarHBondContact O-N 3.01Å
313T94.3Very high90.4Very high0 Ų044.5 Ų44.50%022%0.215CC..Hα-helixtrans-66.3-23.3179.947.50000113.9A287 L288 V291 Y307 S310 K317A287-T313 HydrophobicContact CB-CG2 3.98Å; L288-T313 VanDerWaalsContact CA-CG2 3.45Å; L288-T313 HydrophobicContact CB-CG2 4.04Å; L288-T313 HydrophobicContact CD1-CG2 4.17Å; L288-T313 VanDerWaalsContact N-CG2 3.29Å; V291-T313 HydrophobicContact CB-CG2 4.49Å; V291-T313 HydrophobicContact CG2-CG2 3.94Å; Y307-T313 WeakPolarHBondContact CD1-O 3.45Å; Y307-T313 CarbonylContact O-C 3.59Å; Y307-T313 VanDerWaalsContact O-CB 3.31Å; Y307-T313 WeakPolarHBondContact O-CB 3.45Å; Y307-T313 PolarHBondContact O-OG1 2.86Å; S310-T313 PolarHBondContact N-OG1 2.91Å; S310-T313 PolarHBondContact O-OG1 3.38Å; S310-T313 PolarHBondContact OG-N 2.87Å; S310-T313 PolarHBondContact OG-OG1 3.28Å; T313-K317 PolarHBondContact O-N 3.01Å
314R92.9Very high91.1Very high49 Ų4940.7 Ų40.719%0.18520%0.198CC..Hα-helixtrans-70-48.6169-67175.571.4-145.1-9110.5V179 E181 V187 Y307 R308 S310 K311 L312 L316 K317V179-R314 HydrophobicContact CG1-CB 4.15Å; V179-R314 PolarHBondContact O-NH1 3.21Å; V179-R314 PolarHBondContact O-NH2 3Å; E181-R314 IonicContact OE1-CZ 2.7Å; E181-R314 IonicContact OE1-NE 2.78Å; E181-R314 PolarHBondContact OE1-NE 3.43Å; E181-R314 IonicContact OE1-NH2 3.62Å; E181-R314 PolarHBondContact OE1-NH2 3.17Å; V187-R314 HydrophobicContact CG1-CB 4.46Å; V187-R314 WeakPolarHBondContact CG2-O 3.41Å; Y307-R314 VanDerWaalsContact O-CG 3.26Å; Y307-R314 WeakPolarHBondContact O-CG 3.32Å; Y307-R314 PolarHBondContact O-N 2.62Å; R308-R314 HydrophobicContact CG-CG 4.41Å; S310-R314 WeakPolarHBondContact O-CG 3.5Å; S310-R314 PolarHBondContact O-N 2.84Å; K311-R314 PolarHBondContact O-N 2.88Å; L312-R314 PolarHBondContact O-N 2.83Å; R314-L316 VanDerWaalsContact C-N 3.26Å; R314-L316 PolarHBondContact O-N 3.41Å; R314-K317 VanDerWaalsContact O-CB 3.25Å; R314-K317 WeakPolarHBondContact O-CB 3.24Å; R314-K317 PolarHBondContact O-N 3.13Å
315L92.9Very high91.3Very high14 Ų1435 Ų357%0.07317%0.172CC..Hα-helixtrans-58.6-38.6177.1-63.1175.5000112.5L160 V162 I167 V179 V187 V189 K311 L312 K317L160-L315 HydrophobicContact CD1-CD1 3.99Å; V162-L315 HydrophobicContact CG2-CD1 3.95Å; I167-L315 HydrophobicContact CD1-CD1 3.91Å; I167-L315 HydrophobicContact CD1-CD2 4.38Å; I167-L315 HydrophobicContact CD1-CG 4.41Å; V179-L315 HydrophobicContact CG1-CD2 4.23Å; V179-L315 HydrophobicContact CG2-CD2 4.14Å; V187-L315 HydrophobicContact CG1-CD2 4.41Å; V189-L315 HydrophobicContact CG2-CD2 3.41Å; V189-L315 VanDerWaalsContact CG2-CD2 3.41Å; K311-L315 WeakPolarHBondContact O-CG 3.42Å; K311-L315 PolarHBondContact O-N 3.44Å; K311-L315 VanDerWaalsContact O-N 3.08Å; L312-L315 WeakPolarHBondContact O-CB 3.36Å; L312-L315 PolarHBondContact O-N 3.32Å; L312-L315 VanDerWaalsContact O-N 3.09Å; L315-K317 VanDerWaalsContact C-N 3.33Å
316L92.4Very high91.5Very high2 Ų232.9 Ų32.91%0.0116%0.161CC..THydrogen-bonded Turntrans-89.210.2-178.3-55.5-173.3000114.2I257 L288 L312 R314 D318 S319 L320I257-L316 HydrophobicContact CD1-CD1 4.22Å; I257-L316 HydrophobicContact CD1-CD2 3.35Å; I257-L316 HydrophobicContact CD1-CG 4.44Å; L288-L316 HydrophobicContact CD1-CD1 4.14Å; L312-L316 HydrophobicContact CD1-CD1 3.89Å; L312-L316 HydrophobicContact CD1-CG 4.22Å; L312-L316 HydrophobicContact CG-CD1 4.04Å; L312-L316 HydrophobicContact CG-CG 4.48Å; L312-L316 WeakPolarHBondContact O-CG 3.12Å; L312-L316 PolarHBondContact O-N 3.01Å; R314-L316 VanDerWaalsContact C-N 3.26Å; R314-L316 PolarHBondContact O-N 3.41Å; L316-D318 VanDerWaalsContact C-N 3.28Å; L316-D318 PolarHBondContact O-N 3.46Å; L316-S319 WeakPolarHBondContact O-CB 3.3Å; L316-S319 PolarHBondContact O-N 3.27Å; L316-L320 HydrophobicContact CB-CD1 3.93Å; L316-L320 HydrophobicContact CB-CG 4.33Å; L316-L320 PolarHBondContact O-N 3.13Å
317K91.3Very high91.7Very high88 Ų8832.1 Ų32.138%0.38316%0.155SC..THydrogen-bonded Turntrans-56.5-41.3178.6-177.9-173.7175.1-167.50112.3V187 Y307 T313 R314 L315 S319V187-K317 HydrophobicContact CG2-CB 4.29Å; V187-K317 HydrophobicContact CG2-CD 4.16Å; Y307-K317 HydrophobicContact CD1-CB 4.07Å; Y307-K317 HydrophobicContact CD1-CG 4.1Å; Y307-K317 HydrophobicContact CD2-CD 4.46Å; Y307-K317 HydrophobicContact CD2-CG 3.98Å; Y307-K317 HydrophobicContact CE1-CB 4.43Å; Y307-K317 HydrophobicContact CE1-CG 4.28Å; Y307-K317 HydrophobicContact CE2-CG 4.14Å; Y307-K317 HydrophobicContact CG-CB 4.26Å; Y307-K317 HydrophobicContact CG-CG 3.95Å; T313-K317 PolarHBondContact O-N 3.01Å; R314-K317 VanDerWaalsContact O-CB 3.25Å; R314-K317 WeakPolarHBondContact O-CB 3.24Å; R314-K317 PolarHBondContact O-N 3.13Å; L315-K317 VanDerWaalsContact C-N 3.33Å; K317-S319 VanDerWaalsContact C-N 3.33Å
318D88.2Confident91.9Very high41 Ų4130.9 Ų30.922%0.21915%0.151CC..THydrogen-bonded Turntrans-71.4-32.1177.9-52.5-19000111.6K253 L316 G322 C324K253-D318 IonicContact NZ-OD2 3.29Å; K253-D318 PolarHBondContact NZ-OD2 3.29Å; L316-D318 VanDerWaalsContact C-N 3.28Å; L316-D318 PolarHBondContact O-N 3.46Å; D318-G322 CarbonylContact O-C 3.6Å; D318-G322 VanDerWaalsContact O-CA 3.25Å; D318-G322 WeakPolarHBondContact O-CA 3.11Å; D318-G322 PolarHBondContact O-N 2.74Å; D318-C324 WeakPolarHBondContact O-CB 3.17Å
319S91.1Very high92.1Very high3 Ų322.5 Ų22.52%0.02112%0.119CC..THydrogen-bonded Turntrans-76.5-28.5-176-55.10000113.4T108 L316 K317 T326T108-S319 WeakPolarHBondContact OG1-CB 3.42Å; T108-S319 PolarHBondContact OG1-OG 3.03Å; L316-S319 WeakPolarHBondContact O-CB 3.3Å; L316-S319 PolarHBondContact O-N 3.27Å; K317-S319 VanDerWaalsContact C-N 3.33Å; S319-T326 WeakPolarHBondContact O-CB 3.39Å; S319-T326 PolarHBondContact O-OG1 2.69Å
320L89.6Confident92.3Very high1 Ų118 Ų181%0.00510%0.095CC..THydrogen-bonded Turntrans-110.295.1-174.1-61.4169000108.7M12 L288 V291 I292 L295 Y307 L316 G322M12-L320 HydrophobicContact SD-CD2 4.26Å; L288-L320 HydrophobicContact CD1-CD1 3.47Å; L288-L320 VanDerWaalsContact CD1-CD1 3.47Å; V291-L320 HydrophobicContact CG1-CB 4.29Å; V291-L320 HydrophobicContact CG1-CD1 3.99Å; I292-L320 HydrophobicContact CD1-CD2 4.44Å; L295-L320 HydrophobicContact CD1-CB 3.84Å; Y307-L320 HydrophobicContact CE1-CB 4.36Å; Y307-L320 PolarHBondContact OH-O 3.29Å; L316-L320 HydrophobicContact CB-CD1 3.93Å; L316-L320 HydrophobicContact CB-CG 4.33Å; L316-L320 PolarHBondContact O-N 3.13Å; L320-G322 VanDerWaalsContact C-N 3.28Å; L320-G322 PolarHBondContact O-N 2.88Å
321G83.1Confident92.5Very high25 Ų2517.9 Ų17.926%0.2589%0.094SC..THydrogen-bonded Turntrans71.216.5-179.200000115.5K356G321-K356 WeakPolarHBondContact CA-O 3.47Å
322G86.9Confident92.6Very high15 Ų1515.2 Ų15.216%0.1558%0.083CC..SBendtrans-104.8-162.6170.400000112.7D318 L320 C324 S357 S358D318-G322 CarbonylContact O-C 3.6Å; D318-G322 VanDerWaalsContact O-CA 3.25Å; D318-G322 WeakPolarHBondContact O-CA 3.11Å; D318-G322 PolarHBondContact O-N 2.74Å; L320-G322 VanDerWaalsContact C-N 3.28Å; L320-G322 PolarHBondContact O-N 2.88Å; G322-C324 VanDerWaalsContact C-N 3.29Å; G322-C324 PolarHBondContact O-N 2.9Å; G322-S357 WeakPolarHBondContact O-CB 3.45Å; G322-S358 PolarHBondContact O-N 3.43Å
323N89.1Confident92.7Very high39 Ų3915.3 Ų15.321%0.2098%0.083CC..SBendtrans-77.779.3172.3-178.119.1000111N106 S358 K360 N362N106-N323 VanDerWaalsContact CB-O 3.3Å; N106-N323 WeakPolarHBondContact CB-O 3.11Å; N106-N323 PolarHBondContact ND2-O 3.18Å; N323-S358 VanDerWaalsContact CA-O 3.3Å; N323-S358 WeakPolarHBondContact CA-O 3.39Å; N323-S358 PolarHBondContact OD1-O 3.37Å; N323-K360 PolarHBondContact ND2-O 3.49Å; N323-K360 PolarHBondContact OD1-N 2.9Å; N323-K360 PolarHBondContact OD1-O 2.89Å; N323-N362 PolarHBondContact ND2-OD1 3.2Å
324C91.5Very high92.6Very high3 Ų315.3 Ų15.32%0.028%0.083CC..SBendtrans-160.2135.3174.4-175.90000112N106 T108 D318 G322 T326 S357 L359N106-C324 HydrophobicContact CB-CB 4.15Å; N106-C324 WeakPolarHBondContact O-CA 3.26Å; T108-C324 PolarHBondContact N-SG 3.01Å; T108-C324 VanDerWaalsContact N-SG 3.41Å; T108-C324 PolarHBondContact OG1-SG 2.88Å; D318-C324 WeakPolarHBondContact O-CB 3.17Å; G322-C324 VanDerWaalsContact C-N 3.29Å; G322-C324 PolarHBondContact O-N 2.9Å; C324-T326 PolarHBondContact O-N 3.39Å; C324-T326 PolarHBondContact SG-OG1 3.32Å; C324-S357 WeakPolarHBondContact O-CB 3.32Å; C324-S357 PolarHBondContact O-OG 2.8Å; C324-S357 VanDerWaalsContact O-OG 3.14Å; C324-L359 WeakPolarHBondContact O-CD2 3.45Å
325Q93.1Very high92.5Very high29 Ų2913 Ų1314%0.1367%0.074CC..EExtended strand (participates in β ladder)trans-80.8109.6167.9-172.3172.240.100109S100 N106 C107 T108 L359S100-Q325 PolarHBondContact OG-OE1 3.05Å; N106-Q325 PolarHBondContact O-N 3.29Å; C107-Q325 CarbonylContact C-O 3.59Å; C107-Q325 WeakPolarHBondContact CA-O 3.31Å; T108-Q325 PolarHBondContact N-O 2.88Å; Q325-L359 HydrophobicContact CB-CD1 3.89Å; Q325-L359 HydrophobicContact CB-CD2 4.06Å; Q325-L359 HydrophobicContact CG-CD1 4.18Å; Q325-L359 VanDerWaalsContact N-CD2 3.33Å
326T94.5Very high92.4Very high3 Ų313.7 Ų13.72%0.0188%0.08CC..EExtended strand (participates in β ladder)trans-112.7137.3-172.6-58.20000111.6M12 K13 T108 L110 S319 C324M12-T326 HydrophobicContact CG-CG2 3.9Å; M12-T326 VanDerWaalsContact CG-O 3.26Å; M12-T326 WeakPolarHBondContact CG-O 3.47Å; M12-T326 HydrophobicContact SD-CG2 3.45Å; M12-T326 WeakPolarHBondContact SD-CG2 3.49Å; K13-T326 PolarHBondContact N-O 2.93Å; T108-T326 HydrophobicContact CG2-CG2 4.1Å; T108-T326 CarbonylContact O-C 3.39Å; T108-T326 VanDerWaalsContact O-CA 3.29Å; T108-T326 WeakPolarHBondContact O-CA 3.17Å; L110-T326 HydrophobicContact CD2-CG2 3.97Å; S319-T326 WeakPolarHBondContact O-CB 3.39Å; S319-T326 PolarHBondContact O-OG1 2.69Å; C324-T326 PolarHBondContact O-N 3.39Å; C324-T326 PolarHBondContact SG-OG1 3.32Å
327I95.6Very high92.1Very high5 Ų518.8 Ų18.83%0.02611%0.112CC..EExtended strand (participates in β ladder)trans-120.3131.1169.1-56.9-151.9000109.4K13 V15 T93 I97 T108 V109 L110 I329K13-I327 HydrophobicContact CB-CD1 3.96Å; K13-I327 HydrophobicContact CB-CG1 3.99Å; K13-I327 HydrophobicContact CB-CG2 4.49Å; K13-I327 HydrophobicContact CD-CD1 3.92Å; K13-I327 HydrophobicContact CG-CD1 4.45Å; K13-I327 VanDerWaalsContact O-CA 3.31Å; K13-I327 WeakPolarHBondContact O-CA 3.49Å; V15-I327 HydrophobicContact CG2-CG2 4.34Å; T93-I327 WeakPolarHBondContact O-CD1 3.35Å; I97-I327 HydrophobicContact CD1-CB 4.17Å; I97-I327 HydrophobicContact CD1-CD1 3.56Å; I97-I327 HydrophobicContact CD1-CG1 3.55Å; I97-I327 HydrophobicContact CG1-CD1 3.88Å; I97-I327 HydrophobicContact CG1-CG1 4.22Å; T108-I327 PolarHBondContact O-N 2.76Å; V109-I327 WeakPolarHBondContact CA-O 3.23Å; L110-I327 PolarHBondContact N-O 3.5Å; I327-I329 HydrophobicContact CG2-CG1 4.39Å
328M96.6Very high92Very high1 Ų117 Ų171%0.00510%0.104CC..EExtended strand (participates in β ladder)trans-103.3121.8170.8175.1177.1175.300109.7M12 K13 V14 V15 L110 Y112 A330 Y348 A349 A352M12-M328 HydrophobicContact CE-CB 3.85Å; M12-M328 HydrophobicContact CE-SD 4.2Å; K13-M328 PolarHBondContact O-N 3.16Å; V14-M328 WeakPolarHBondContact CA-O 3.34Å; V14-M328 HydrophobicContact CG2-CB 4.41Å; V15-M328 PolarHBondContact N-O 3.27Å; L110-M328 HydrophobicContact CD1-CB 4.08Å; L110-M328 HydrophobicContact CD1-CG 3.79Å; L110-M328 HydrophobicContact CG-CB 4.37Å; L110-M328 WeakPolarHBondContact O-CA 3.46Å; Y112-M328 HydrophobicContact CD1-CE 3.56Å; Y112-M328 HydrophobicContact CE1-CE 4.42Å; Y112-M328 HydrophobicContact CG-CE 3.77Å; M328-A330 HydrophobicContact CE-CB 4.38Å; M328-Y348 HydrophobicContact CE-CD1 3.67Å; M328-Y348 HydrophobicContact CE-CE1 4.15Å; M328-A349 HydrophobicContact CE-CB 4.03Å; M328-A352 HydrophobicContact SD-CB 3.47Å; M328-A352 WeakPolarHBondContact SD-CB 3.49Å
329I97.6Very high92.1Very high0 Ų016 Ų160%010%0.097CC..EExtended strand (participates in β ladder)trans-99.8105.8171.7-54.3177.4000108.1V15 T93 V109 L110 A111 Y112 T122 I327 A331V15-I329 CarbonylContact O-C 3.59Å; V15-I329 WeakPolarHBondContact O-CA 3.43Å; T93-I329 HydrophobicContact CG2-CD1 4.09Å; T93-I329 HydrophobicContact CG2-CG1 4.32Å; V109-I329 HydrophobicContact CG1-CD1 3.77Å; V109-I329 HydrophobicContact CG1-CG1 4.24Å; L110-I329 PolarHBondContact O-N 3.35Å; A111-I329 CarbonylContact C-O 3.59Å; A111-I329 WeakPolarHBondContact CA-O 2.8Å; Y112-I329 PolarHBondContact N-O 3.13Å; T122-I329 HydrophobicContact CG2-CD1 4.26Å; T122-I329 HydrophobicContact CG2-CG2 4.07Å; I327-I329 HydrophobicContact CG2-CG1 4.39Å; I329-A331 PolarHBondContact O-N 2.89Å
330A97.6Very high92.1Very high0 Ų019.5 Ų19.50%012%0.115CC..EExtended strand (participates in β ladder)trans-89.1102.9178.600000110.1V15 V16 R17 Y112 M328 T345 A349V15-A330 PolarHBondContact O-N 3.13Å; V16-A330 CarbonylContact C-O 3.58Å; V16-A330 WeakPolarHBondContact CA-O 3.37Å; V16-A330 HydrophobicContact CG2-CB 4.13Å; R17-A330 PolarHBondContact N-O 3.24Å; Y112-A330 CarbonylContact O-C 3.5Å; Y112-A330 WeakPolarHBondContact O-CA 3.49Å; M328-A330 HydrophobicContact CE-CB 4.38Å; A330-T345 HydrophobicContact CB-CG2 4.17Å; A330-A349 HydrophobicContact CB-CB 3.76Å
331A96.9Very high92.2Very high1 Ų120.7 Ų20.71%0.00812%0.122CC..EExtended strand (participates in β ladder)trans-86.7126.6178.900000110.5R17 Y112 A117 K119 I329R17-A331 WeakPolarHBondContact O-CA 3.15Å; Y112-A331 PolarHBondContact O-N 3.17Å; A117-A331 HydrophobicContact CB-CB 4.48Å; A117-A331 WeakPolarHBondContact CB-O 3.27Å; A117-A331 WeakPolarHBondContact O-CB 3.33Å; K119-A331 HydrophobicContact CG-CB 4.14Å; I329-A331 PolarHBondContact O-N 2.89Å
332V96.8Very high92.7Very high1 Ų119.7 Ų19.71%0.00611%0.111CC..EExtended strand (participates in β ladder)trans-130.7153-176.3-63.80000112.4V16 R17 V18 R19 T342 T345 L346V16-V332 HydrophobicContact CG1-CG2 3.83Å; R17-V332 PolarHBondContact O-N 2.74Å; V18-V332 HydrophobicContact CB-CG2 4.3Å; V18-V332 HydrophobicContact CG2-CG2 3.87Å; R19-V332 PolarHBondContact N-O 3.24Å; R19-V332 VanDerWaalsContact N-O 3.11Å; V332-T342 HydrophobicContact CB-CG2 3.95Å; V332-T342 HydrophobicContact CG1-CG2 4.11Å; V332-T345 HydrophobicContact CG1-CG2 3.67Å; V332-L346 HydrophobicContact CG1-CD2 4.26Å; V332-L346 HydrophobicContact CG1-CG 4.37Å
333S94.2Very high93.1Very high1 Ų121.6 Ų21.61%0.00711%0.114CC..  trans-94.8139.9170.6177.10000109.8R19 E25 S335 T342R19-S333 PolarHBondContact NH2-OG 3.15Å; R19-S333 VanDerWaalsContact NH2-OG 3.13Å; E25-S333 PolarHBondContact OE1-OG 3.48Å; S333-S335 PolarHBondContact O-N 2.99Å; S333-S335 WeakPolarHBondContact OG-CB 3.26Å; S333-S335 PolarHBondContact OG-N 2.93Å; S333-S335 VanDerWaalsContact OG-N 3.13Å; S333-T342 PolarHBondContact O-OG1 2.83Å
334P92.8Very high93.3Very high0 Ų022.2 Ų22.20%012%0.117CC..  trans-71.4-8.4171.230.4-35000112.7V18 R19 K32 V33V18-P334 HydrophobicContact CG1-CB 3.96Å; V18-P334 HydrophobicContact CG1-CG 4.25Å; R19-P334 WeakPolarHBondContact O-CD 3.27Å; R19-P334 WeakPolarHBondContact O-CG 3.34Å; K32-P334 CarbonylContact C-O 3.53Å; K32-P334 WeakPolarHBondContact CA-O 3.11Å; V33-P334 PolarHBondContact N-O 3.31Å
335S91.4Very high93.5Very high0 Ų022.1 Ų22.10%012%0.116CC..BIsolated β-bridgetrans-83.4136.2-169.3174.20000115.5E25 F30 S333 V337 F338E25-S335 VanDerWaalsContact OE1-CB 3.24Å; E25-S335 WeakPolarHBondContact OE1-CB 3.42Å; F30-S335 VanDerWaalsContact CD2-CB 3.42Å; F30-S335 WeakPolarHBondContact CD2-OG 3.18Å; F30-S335 VanDerWaalsContact CE2-CA 3.44Å; F30-S335 WeakPolarHBondContact CG-OG 3.39Å; S333-S335 PolarHBondContact O-N 2.99Å; S333-S335 WeakPolarHBondContact OG-CB 3.26Å; S333-S335 PolarHBondContact OG-N 2.93Å; S333-S335 VanDerWaalsContact OG-N 3.13Å; S335-V337 PolarHBondContact O-N 3.31Å; S335-V337 VanDerWaalsContact O-N 3.11Å; S335-V337 PolarHBondContact OG-N 3.07Å; S335-F338 CarbonylContact O-C 3.6Å; S335-F338 WeakPolarHBondContact O-CA 3.47Å; S335-F338 PolarHBondContact O-N 2.78Å
336S89.5Confident93.6Very high29 Ų2920.7 Ų20.720%0.20311%0.11CC..G310 helixtrans-55.9-23.217264.10000114.5H31 F338 Y339H31-S336 WeakPolarHBondContact CE1-CB 3.32Å; H31-S336 PolarHBondContact ND1-OG 3.09Å; H31-S336 WeakPolarHBondContact NE2-CB 3.18Å; H31-S336 WeakPolarHBondContact O-CB 3.34Å; H31-S336 PolarHBondContact O-N 2.69Å; S336-F338 PolarHBondContact O-N 3.1Å; S336-Y339 VanDerWaalsContact O-CB 3.24Å; S336-Y339 WeakPolarHBondContact O-CB 3.31Å; S336-Y339 PolarHBondContact O-N 2.65Å
337V87.4Confident93.6Very high110 Ų11024.5 Ų24.567%0.66713%0.126SC*.G310 helixtrans-63-32173.5-178.70000111.1S335S335-V337 PolarHBondContact O-N 3.31Å; S335-V337 VanDerWaalsContact O-N 3.11Å; S335-V337 PolarHBondContact OG-N 3.07Å
338F88.3Confident93.4Very high49 Ų4925.1 Ų25.122%0.21513%0.128CC..G310 helixtrans-100.221.2178.1-65.1-88.5000112.6E25 A114 S335 S336 D340 D341 T342E25-F338 WeakPolarHBondContact OE1-CE2 3.49Å; A114-F338 HydrophobicContact CB-CD1 4.46Å; S335-F338 CarbonylContact O-C 3.6Å; S335-F338 WeakPolarHBondContact O-CA 3.47Å; S335-F338 PolarHBondContact O-N 2.78Å; S336-F338 PolarHBondContact O-N 3.1Å; F338-D340 PolarHBondContact O-N 2.89Å; F338-D341 PolarHBondContact O-N 3.39Å; F338-T342 WeakPolarHBondContact O-CB 3.4Å; F338-T342 PolarHBondContact O-N 2.95Å; F338-T342 PolarHBondContact O-OG1 2.76Å
339Y91.1Very high93.4Very high21 Ų2125.1 Ų25.18%0.08213%0.128CC..Hα-helixtrans-53.8-54.1-174177-81000113V33 F44 D45 R67 K70 S336 D341 T342 Y343V33-Y339 HydrophobicContact CB-CD2 4.14Å; V33-Y339 HydrophobicContact CG1-CD2 3.96Å; V33-Y339 HydrophobicContact CG2-CD2 4.4Å; F44-Y339 HydrophobicContact CE1-CD2 4.25Å; F44-Y339 HydrophobicContact CE1-CE1 4.14Å; F44-Y339 AromaticContact CE1-CE2 3.7Å; F44-Y339 HydrophobicContact CE1-CE2 3.7Å; F44-Y339 AromaticContact CE1-CZ 3.62Å; F44-Y339 HydrophobicContact CE2-CD2 4.3Å; F44-Y339 HydrophobicContact CZ-CD1 4.06Å; F44-Y339 AromaticContact CZ-CD2 3.55Å; F44-Y339 HydrophobicContact CZ-CD2 3.55Å; F44-Y339 AromaticContact CZ-CE1 3.98Å; F44-Y339 HydrophobicContact CZ-CE1 3.98Å; F44-Y339 AromaticContact CZ-CE2 3.49Å; F44-Y339 HydrophobicContact CZ-CE2 3.49Å; F44-Y339 VanDerWaalsContact CZ-CE2 3.49Å; F44-Y339 AromaticContact CZ-CG 3.84Å; F44-Y339 HydrophobicContact CZ-CG 3.84Å; F44-Y339 AromaticContact CZ-CZ 3.7Å; F44-Y339 WeakPolarHBondContact CZ-O 3.38Å; D45-Y339 HydrophobicContact CB-CE2 3.87Å; D45-Y339 WeakPolarHBondContact OD2-CE2 3.47Å; D45-Y339 PolarHBondContact OD2-OH 3.41Å; R67-Y339 VanDerWaalsContact NH1-CE1 3.29Å; K70-Y339 WeakPolarHBondContact CD-OH 3.46Å; K70-Y339 WeakPolarHBondContact CE-OH 3.31Å; K70-Y339 PolarHBondContact NZ-OH 2.73Å; S336-Y339 VanDerWaalsContact O-CB 3.24Å; S336-Y339 WeakPolarHBondContact O-CB 3.31Å; S336-Y339 PolarHBondContact O-N 2.65Å; Y339-D341 PolarHBondContact O-N 3.3Å; Y339-T342 PolarHBondContact O-N 3.46Å; Y339-Y343 WeakPolarHBondContact O-CB 3.28Å; Y339-Y343 PolarHBondContact O-N 2.8Å
340D91.1Very high93.2Very high76 Ų7628 Ų2841%0.40614%0.144SC..Hα-helixtrans-69.2-36.4-175.2-74.4-28.6000111.2R67 F338 N344R67-D340 IonicContact CZ-OD1 2.63Å; R67-D340 IonicContact CZ-OD2 3.36Å; R67-D340 IonicContact NH1-OD1 3.53Å; R67-D340 PolarHBondContact NH1-OD1 3.2Å; R67-D340 IonicContact NH1-OD2 2.68Å; R67-D340 IonicContact NH2-OD1 3.84Å; R67-D340 IonicContact NH2-OD2 2.96Å; R67-D340 PolarHBondContact NH2-OD2 2.58Å; F338-D340 PolarHBondContact O-N 2.89Å; D340-N344 WeakPolarHBondContact O-CB 3.29Å; D340-N344 PolarHBondContact O-N 3.04Å; D340-N344 PolarHBondContact O-ND2 2.96Å
341D91.4Very high93Very high26 Ų2632.7 Ų32.714%0.13916%0.161CC..Hα-helixtrans-73-37.5178.2-70.2-39.5000112.9A114 F338 Y339 N344 T345A114-D341 HydrophobicContact CB-CB 4Å; F338-D341 PolarHBondContact O-N 3.39Å; Y339-D341 PolarHBondContact O-N 3.3Å; D341-N344 PolarHBondContact O-N 2.79Å; D341-T345 WeakPolarHBondContact O-CB 3.34Å; D341-T345 PolarHBondContact O-N 3.29Å; D341-T345 PolarHBondContact O-OG1 3.19Å
342T94Very high92.9Very high4 Ų432.7 Ų32.73%0.02516%0.161CC..Hα-helixtrans-65.1-46.1174.1-63.70000110.5V34 F44 V332 S333 F338 Y339 N344 T345 L346V34-T342 HydrophobicContact CG2-CG2 3.72Å; F44-T342 HydrophobicContact CD2-CG2 3.98Å; F44-T342 HydrophobicContact CE2-CG2 3.88Å; V332-T342 HydrophobicContact CB-CG2 3.95Å; V332-T342 HydrophobicContact CG1-CG2 4.11Å; S333-T342 PolarHBondContact O-OG1 2.83Å; F338-T342 WeakPolarHBondContact O-CB 3.4Å; F338-T342 PolarHBondContact O-N 2.95Å; F338-T342 PolarHBondContact O-OG1 2.76Å; Y339-T342 PolarHBondContact O-N 3.46Å; T342-N344 PolarHBondContact O-N 3.35Å; T342-T345 WeakPolarHBondContact O-CB 3.44Å; T342-T345 PolarHBondContact O-N 3.07Å; T342-T345 VanDerWaalsContact O-N 3.17Å; T342-L346 HydrophobicContact CG2-CD1 4.03Å; T342-L346 HydrophobicContact CG2-CG 4.46Å; T342-L346 WeakPolarHBondContact O-CG 3.42Å; T342-L346 PolarHBondContact O-N 3.16Å
343Y94.4Very high92.6Very high56 Ų5635.3 Ų35.322%0.2217%0.172CC..Hα-helixtrans-58.5-45.3173.6176.1-119.1000112.5F44 L72 F74 Y339 T345 K347F44-Y343 HydrophobicContact CD1-CD2 4.08Å; F44-Y343 HydrophobicContact CE1-CD2 4Å; F44-Y343 HydrophobicContact CE1-CG 4.16Å; F44-Y343 HydrophobicContact CZ-CG 4.49Å; L72-Y343 HydrophobicContact CD1-CD2 4.1Å; L72-Y343 HydrophobicContact CD1-CE2 3.49Å; L72-Y343 VanDerWaalsContact CD1-CE2 3.49Å; F74-Y343 HydrophobicContact CZ-CD2 4.49Å; F74-Y343 HydrophobicContact CZ-CE2 4.41Å; Y339-Y343 WeakPolarHBondContact O-CB 3.28Å; Y339-Y343 PolarHBondContact O-N 2.8Å; Y343-T345 VanDerWaalsContact C-N 3.32Å; Y343-T345 PolarHBondContact O-N 3Å; Y343-K347 VanDerWaalsContact O-CB 3.27Å; Y343-K347 WeakPolarHBondContact O-CB 3.42Å; Y343-K347 PolarHBondContact O-N 2.95Å
344N93.4Very high92.5Very high51 Ų5139 Ų3927%0.27319%0.192SC..Hα-helixtrans-61.7-41.1175.8-72.1-40.3000111.4D340 D341 T342 Y348D340-N344 WeakPolarHBondContact O-CB 3.29Å; D340-N344 PolarHBondContact O-N 3.04Å; D340-N344 PolarHBondContact O-ND2 2.96Å; D341-N344 PolarHBondContact O-N 2.79Å; T342-N344 PolarHBondContact O-N 3.35Å; N344-Y348 VanDerWaalsContact O-CB 3.25Å; N344-Y348 WeakPolarHBondContact O-CB 3.48Å; N344-Y348 PolarHBondContact O-N 2.84Å
345T95.4Very high92.4Very high1 Ų139 Ų391%0.00619%0.192CC..Hα-helixtrans-64-48.5178.8-59.50000112Y112 A330 V332 D341 T342 Y343 Y348 A349Y112-T345 HydrophobicContact CD1-CG2 4.05Å; Y112-T345 HydrophobicContact CE1-CG2 4.22Å; A330-T345 HydrophobicContact CB-CG2 4.17Å; V332-T345 HydrophobicContact CG1-CG2 3.67Å; D341-T345 WeakPolarHBondContact O-CB 3.34Å; D341-T345 PolarHBondContact O-N 3.29Å; D341-T345 PolarHBondContact O-OG1 3.19Å; T342-T345 WeakPolarHBondContact O-CB 3.44Å; T342-T345 PolarHBondContact O-N 3.07Å; T342-T345 VanDerWaalsContact O-N 3.17Å; Y343-T345 VanDerWaalsContact C-N 3.32Å; Y343-T345 PolarHBondContact O-N 3Å; T345-Y348 PolarHBondContact O-N 3.04Å; T345-A349 WeakPolarHBondContact O-CB 3.39Å; T345-A349 PolarHBondContact O-N 3.32Å
346L95.9Very high92.3Very high0 Ų043.9 Ų43.90%021%0.213CC..Hα-helixtrans-63.6-44.3177.8-67.3171000111.9V16 L42 F44 F74 F76 V332 T342 Y348 A349 N350V16-L346 HydrophobicContact CG1-CD2 4.08Å; V16-L346 HydrophobicContact CG2-CD2 4.06Å; L42-L346 HydrophobicContact CD1-CD2 4.33Å; L42-L346 HydrophobicContact CD2-CD1 3.61Å; L42-L346 HydrophobicContact CD2-CD2 3.93Å; L42-L346 HydrophobicContact CD2-CG 4.44Å; F44-L346 HydrophobicContact CB-CD1 3.88Å; F44-L346 HydrophobicContact CD2-CD1 3.9Å; F44-L346 HydrophobicContact CG-CD1 4.13Å; F74-L346 HydrophobicContact CD1-CB 4.33Å; F74-L346 HydrophobicContact CD2-CB 4.18Å; F74-L346 HydrophobicContact CD2-CD1 4.1Å; F74-L346 HydrophobicContact CE1-CB 4.09Å; F74-L346 HydrophobicContact CE2-CB 3.93Å; F74-L346 HydrophobicContact CE2-CD1 4.02Å; F74-L346 HydrophobicContact CG-CB 4.38Å; F74-L346 HydrophobicContact CZ-CB 3.88Å; F76-L346 HydrophobicContact CE2-CD2 3.94Å; F76-L346 HydrophobicContact CZ-CD2 4.08Å; V332-L346 HydrophobicContact CG1-CD2 4.26Å; V332-L346 HydrophobicContact CG1-CG 4.37Å; T342-L346 HydrophobicContact CG2-CD1 4.03Å; T342-L346 HydrophobicContact CG2-CG 4.46Å; T342-L346 WeakPolarHBondContact O-CG 3.42Å; T342-L346 PolarHBondContact O-N 3.16Å; L346-Y348 VanDerWaalsContact C-N 3.26Å; L346-Y348 PolarHBondContact O-N 3.22Å; L346-A349 PolarHBondContact O-N 3.04Å; L346-N350 WeakPolarHBondContact O-CB 3.4Å; L346-N350 PolarHBondContact O-N 3.35Å
347K93.9Very high92.1Very high83 Ų8342.7 Ų42.736%0.36121%0.205SC..Hα-helixtrans-61.6-35.6175.3-178173.1-177.5170.30112.4Y343 R351Y343-K347 VanDerWaalsContact O-CB 3.27Å; Y343-K347 WeakPolarHBondContact O-CB 3.42Å; Y343-K347 PolarHBondContact O-N 2.95Å; K347-R351 PolarHBondContact O-N 2.83Å
348Y92.6Very high91.9Very high18 Ų1840.4 Ų40.47%0.07119%0.194CC..Hα-helixtrans-71.4-49.5177.9-169-118.8000111.5Y112 L288 G289 I292 M328 N344 T345 L346 N350 R351 A352Y112-Y348 AromaticContact CD1-CD1 3.75Å; Y112-Y348 HydrophobicContact CD1-CD1 3.75Å; Y112-Y348 HydrophobicContact CD1-CE1 4.35Å; Y112-Y348 HydrophobicContact CD2-CD1 4.26Å; Y112-Y348 HydrophobicContact CD2-CE1 4.08Å; Y112-Y348 AromaticContact CE1-CD1 3.33Å; Y112-Y348 HydrophobicContact CE1-CD1 3.33Å; Y112-Y348 HydrophobicContact CE1-CE1 4.07Å; Y112-Y348 HydrophobicContact CE1-CG 4.07Å; Y112-Y348 AromaticContact CE2-CD1 3.87Å; Y112-Y348 HydrophobicContact CE2-CD1 3.87Å; Y112-Y348 AromaticContact CE2-CE1 3.73Å; Y112-Y348 HydrophobicContact CE2-CE1 3.73Å; Y112-Y348 HydrophobicContact CG-CD1 4.21Å; Y112-Y348 HydrophobicContact CG-CE1 4.37Å; Y112-Y348 AromaticContact CZ-CD1 3.37Å; Y112-Y348 AromaticContact CZ-CE1 3.73Å; L288-Y348 WeakPolarHBondContact CG-OH 3.44Å; L288-Y348 PolarHBondContact O-OH 3.19Å; G289-Y348 WeakPolarHBondContact CA-OH 3.43Å; G289-Y348 PolarHBondContact N-OH 3.35Å; I292-Y348 HydrophobicContact CB-CE2 3.8Å; I292-Y348 HydrophobicContact CD1-CE1 3.98Å; I292-Y348 HydrophobicContact CD1-CE2 4.3Å; I292-Y348 VanDerWaalsContact CD1-OH 3.31Å; I292-Y348 WeakPolarHBondContact CD1-OH 3.42Å; I292-Y348 HydrophobicContact CG1-CE2 4.36Å; I292-Y348 VanDerWaalsContact CG1-OH 3.28Å; I292-Y348 WeakPolarHBondContact CG1-OH 3.31Å; I292-Y348 HydrophobicContact CG2-CD2 4.42Å; I292-Y348 HydrophobicContact CG2-CE2 3.78Å; M328-Y348 HydrophobicContact CE-CD1 3.67Å; M328-Y348 HydrophobicContact CE-CE1 4.15Å; N344-Y348 VanDerWaalsContact O-CB 3.25Å; N344-Y348 WeakPolarHBondContact O-CB 3.48Å; N344-Y348 PolarHBondContact O-N 2.84Å; T345-Y348 PolarHBondContact O-N 3.04Å; L346-Y348 VanDerWaalsContact C-N 3.26Å; L346-Y348 PolarHBondContact O-N 3.22Å; Y348-N350 VanDerWaalsContact C-N 3.3Å; Y348-N350 PolarHBondContact O-N 2.82Å; Y348-R351 PolarHBondContact O-N 3.03Å; Y348-A352 PolarHBondContact O-N 3.48Å; Y348-A352 VanDerWaalsContact O-N 3.08Å
349A95.4Very high91.7Very high0 Ų038.8 Ų38.80%019%0.188CC..Hα-helixtrans-54.3-44.1173.800000111.9V14 F76 M328 A330 T345 L346 R351 A352 K353V14-A349 HydrophobicContact CG1-CB 3.68Å; F76-A349 HydrophobicContact CE1-CB 3.71Å; F76-A349 HydrophobicContact CZ-CB 4.19Å; M328-A349 HydrophobicContact CE-CB 4.03Å; A330-A349 HydrophobicContact CB-CB 3.76Å; T345-A349 WeakPolarHBondContact O-CB 3.39Å; T345-A349 PolarHBondContact O-N 3.32Å; L346-A349 PolarHBondContact O-N 3.04Å; A349-R351 VanDerWaalsContact C-N 3.32Å; A349-R351 PolarHBondContact O-N 3.48Å; A349-A352 VanDerWaalsContact O-CB 3.25Å; A349-A352 WeakPolarHBondContact O-CB 3.38Å; A349-A352 PolarHBondContact O-N 2.88Å; A349-K353 PolarHBondContact O-N 3.29Å
350N94.8Very high91.5Very high61 Ų6144.5 Ų44.533%0.32621%0.213SC..Hα-helixtrans-61.9-36.6-179.2-167.5104000112.9F74 F76 L346 Y348F74-N350 HydrophobicContact CD1-CB 4.09Å; F74-N350 HydrophobicContact CE1-CB 4.36Å; F76-N350 HydrophobicContact CE1-CB 4.31Å; L346-N350 WeakPolarHBondContact O-CB 3.4Å; L346-N350 PolarHBondContact O-N 3.35Å; Y348-N350 VanDerWaalsContact C-N 3.3Å; Y348-N350 PolarHBondContact O-N 2.82Å
351R93.1Very high91.3Very high99 Ų9942.3 Ų42.337%0.37420%0.204SC..Hα-helixtrans-74.6-30.9174.7-70177.4172.8170.4-5112.5I292 N293 A296 K347 Y348 A349 K353 D354I292-R351 HydrophobicContact CG2-CB 4.32Å; N293-R351 VanDerWaalsContact OD1-CD 3.26Å; N293-R351 WeakPolarHBondContact OD1-CD 3.26Å; N293-R351 PolarHBondContact OD1-NH1 3.41Å; A296-R351 HydrophobicContact CB-CB 4.41Å; A296-R351 WeakPolarHBondContact CB-O 3.48Å; K347-R351 PolarHBondContact O-N 2.83Å; Y348-R351 PolarHBondContact O-N 3.03Å; A349-R351 VanDerWaalsContact C-N 3.32Å; A349-R351 PolarHBondContact O-N 3.48Å; R351-K353 PolarHBondContact O-N 2.83Å; R351-D354 PolarHBondContact O-N 3.22Å
352A93.6Very high90.9Very high0 Ų043.2 Ų43.20%021%0.208CC..Hα-helixtrans-62.4-31.9-179.200000111.4M12 V14 I292 M328 Y348 A349 D354 I355M12-A352 HydrophobicContact CE-CB 3.35Å; M12-A352 WeakPolarHBondContact CE-O 3.39Å; V14-A352 HydrophobicContact CG2-CB 4.01Å; I292-A352 HydrophobicContact CD1-CB 3.99Å; I292-A352 HydrophobicContact CG2-CB 4.26Å; M328-A352 HydrophobicContact SD-CB 3.47Å; M328-A352 WeakPolarHBondContact SD-CB 3.49Å; Y348-A352 PolarHBondContact O-N 3.48Å; Y348-A352 VanDerWaalsContact O-N 3.08Å; A349-A352 VanDerWaalsContact O-CB 3.25Å; A349-A352 WeakPolarHBondContact O-CB 3.38Å; A349-A352 PolarHBondContact O-N 2.88Å; A352-D354 VanDerWaalsContact C-N 3.25Å; A352-D354 PolarHBondContact O-N 3.11Å; A352-I355 WeakPolarHBondContact O-CB 3.31Å; A352-I355 WeakPolarHBondContact O-CG1 3.42Å; A352-I355 PolarHBondContact O-N 2.88Å
353K92.1Very high90.5Very high57 Ų5746.1 Ų46.125%0.24823%0.226CC..THydrogen-bonded Turntrans-59.9-29.9175.7-170.3175.6-178.4173.30114V14 V75 A349 R351 I355V14-K353 HydrophobicContact CB-CB 4.45Å; V14-K353 HydrophobicContact CG2-CB 3.9Å; V75-K353 PolarHBondContact O-NZ 3.37Å; A349-K353 PolarHBondContact O-N 3.29Å; R351-K353 PolarHBondContact O-N 2.83Å; K353-I355 VanDerWaalsContact C-N 3.25Å; K353-I355 PolarHBondContact O-N 3.05Å
354D91.4Very high89.6Confident79 Ų7947.2 Ų47.242%0.42224%0.235SC..THydrogen-bonded Turntrans-78.6-8.2-179-59.5-45.1000113.1A296 R351 A352 K356A296-D354 HydrophobicContact CB-CB 4.01Å; R351-D354 PolarHBondContact O-N 3.22Å; A352-D354 VanDerWaalsContact C-N 3.25Å; A352-D354 PolarHBondContact O-N 3.11Å; D354-K356 PolarHBondContact O-N 3.22Å
355I90.7Very high88.4Confident0 Ų046.8 Ų46.80%023%0.233CC..  trans-70.3130.1178.2-60.2179.3000110.1H11 M12 I292 L295 A352 K353H11-I355 CarbonylContact C-O 3.5Å; H11-I355 WeakPolarHBondContact CA-O 3.11Å; M12-I355 HydrophobicContact CB-CB 4.2Å; M12-I355 HydrophobicContact CE-CD1 4.27Å; M12-I355 PolarHBondContact N-O 3.12Å; I292-I355 HydrophobicContact CB-CD1 4.08Å; I292-I355 HydrophobicContact CD1-CD1 3.93Å; I292-I355 HydrophobicContact CG1-CD1 3.7Å; I292-I355 HydrophobicContact CG2-CD1 4.03Å; L295-I355 HydrophobicContact CB-CD1 4.14Å; L295-I355 HydrophobicContact CB-CG1 3.84Å; L295-I355 HydrophobicContact CB-CG2 4.22Å; L295-I355 HydrophobicContact CD1-CD1 4.12Å; L295-I355 HydrophobicContact CD1-CG2 4.1Å; A352-I355 WeakPolarHBondContact O-CB 3.31Å; A352-I355 WeakPolarHBondContact O-CG1 3.42Å; A352-I355 PolarHBondContact O-N 2.88Å; K353-I355 VanDerWaalsContact C-N 3.25Å; K353-I355 PolarHBondContact O-N 3.05Å
356K88.6Confident86.7Confident101 Ų10149.4 Ų49.444%0.43925%0.249SC..EExtended strand (participates in β ladder)trans-105.7129.4177.2-71.5167.7175.7173.70111H10 H11 G321 D354H10-K356 CarbonylContact O-C 3.6Å; H10-K356 WeakPolarHBondContact O-CA 3.48Å; H11-K356 WeakPolarHBondContact NE2-CE 3.43Å; G321-K356 WeakPolarHBondContact CA-O 3.47Å; D354-K356 PolarHBondContact O-N 3.22Å
357S86Confident84.7Confident5 Ų551.9 Ų51.94%0.03526%0.262CS..EExtended strand (participates in β ladder)trans-109.4144.6172.9-68.70000110.9H10 G322 C324H10-S357 PolarHBondContact N-O 3.36Å; H10-S357 VanDerWaalsContact N-O 3.08Å; H10-S357 PolarHBondContact O-N 2.84Å; G322-S357 WeakPolarHBondContact O-CB 3.45Å; C324-S357 WeakPolarHBondContact O-CB 3.32Å; C324-S357 PolarHBondContact O-OG 2.8Å; C324-S357 VanDerWaalsContact O-OG 3.14Å
358S83.3Confident82.7Confident62 Ų6251.5 Ų51.543%0.43426%0.264SS..EExtended strand (participates in β ladder)trans-96.498.8173.143.80000110.2G322 N323G322-S358 PolarHBondContact O-N 3.43Å; N323-S358 VanDerWaalsContact CA-O 3.3Å; N323-S358 WeakPolarHBondContact CA-O 3.39Å; N323-S358 PolarHBondContact OD1-O 3.37Å
359L84.1Confident80.6Confident15 Ų1553.1 Ų53.18%0.07927%0.272CS..  trans-83.7119.6-176.1-59.2-165.4000111.9H10 Y105 C324 Q325H10-L359 HydrophobicContact CB-CD1 3.86Å; H10-L359 HydrophobicContact CB-CG 3.93Å; H10-L359 WeakPolarHBondContact ND1-CD1 3.25Å; Y105-L359 HydrophobicContact CD1-CB 4.11Å; Y105-L359 HydrophobicContact CE1-CB 4.12Å; C324-L359 WeakPolarHBondContact O-CD2 3.45Å; Q325-L359 HydrophobicContact CB-CD1 3.89Å; Q325-L359 HydrophobicContact CB-CD2 4.06Å; Q325-L359 HydrophobicContact CG-CD1 4.18Å; Q325-L359 VanDerWaalsContact N-CD2 3.33Å
360K86.7Confident78.8Confident140 Ų14058.5 Ų58.561%0.60930%0.299SS*.  trans-128.6128.9172.8-178.3169.1-1761660110.2N323N323-K360 PolarHBondContact ND2-O 3.49Å; N323-K360 PolarHBondContact OD1-N 2.9Å; N323-K360 PolarHBondContact OD1-O 2.89Å
361S85.8Confident76.9Confident31 Ų3160 Ų6022%0.21731%0.311CS..  trans-70.1132.4175.7-178.10000110.4N103 V363N103-S361 PolarHBondContact O-OG 3.5Å; S361-V363 VanDerWaalsContact C-N 3.33Å; S361-V363 PolarHBondContact O-N 3.32Å; S361-V363 VanDerWaalsContact O-N 3.09Å; S361-V363 WeakPolarHBondContact OG-CG2 3.07Å
362N84.8Confident75Confident45 Ų4559.3 Ų59.324%0.24131%0.312CS..  trans-86.574.7-179.1-60.4-41.3000110G104 N106 R250 I251 N323G104-N362 WeakPolarHBondContact O-CB 3.37Å; G104-N362 PolarHBondContact O-N 3.34Å; G104-N362 PolarHBondContact O-ND2 2.85Å; N106-N362 PolarHBondContact ND2-ND2 3.21Å; N106-N362 PolarHBondContact OD1-ND2 3.02Å; N106-N362 VanDerWaalsContact OD1-ND2 3.13Å; R250-N362 WeakPolarHBondContact CA-O 3.41Å; I251-N362 PolarHBondContact N-O 3.01Å; I251-N362 WeakPolarHBondContact O-CB 3.09Å; I251-N362 PolarHBondContact O-ND2 3.45Å; N323-N362 PolarHBondContact ND2-OD1 3.2Å
363V83.8Confident73.3Confident65 Ų6565.9 Ų65.939%0.39434%0.338SS..EExtended strand (participates in β ladder)trans-99.4120.2175.3-168.60000110.1N248 R250 S361N248-V363 HydrophobicContact CB-CG1 3.84Å; R250-V363 HydrophobicContact CG-CG2 4.36Å; S361-V363 VanDerWaalsContact C-N 3.33Å; S361-V363 PolarHBondContact O-N 3.32Å; S361-V363 VanDerWaalsContact O-N 3.09Å; S361-V363 WeakPolarHBondContact OG-CG2 3.07Å
364L75.5Confident72Confident78 Ų7866.8 Ų66.841%0.40835%0.348SS..EExtended strand (participates in β ladder)trans-103.5113173.2-59178.2000109.2V249 I251V249-L364 PolarHBondContact N-O 2.95Å; V249-L364 PolarHBondContact O-N 3.48Å; I251-L364 HydrophobicContact CD1-CD1 3.69Å; I251-L364 HydrophobicContact CG1-CD1 4.39Å
365N68Low70.7Confident42 Ų4268.7 Ų68.723%0.22535%0.353CS..EExtended strand (participates in β ladder)trans-83.2118.8172.8179.3-36000109.3N248 N367 N368 H369N248-N365 WeakPolarHBondContact OD1-CB 3.38Å; N365-N367 VanDerWaalsContact C-N 3.32Å; N365-N367 PolarHBondContact O-N 2.85Å; N365-N367 WeakPolarHBondContact OD1-CB 3.15Å; N365-N367 PolarHBondContact OD1-N 3.43Å; N365-N368 HydrophobicContact CB-CB 3.88Å; N365-N368 CarbonylContact O-C 3.44Å; N365-N368 PolarHBondContact O-N 2.81Å; N365-N368 PolarHBondContact OD1-N 2.87Å; N365-N368 VanDerWaalsContact OD1-N 3.16Å; N365-H369 PolarHBondContact O-N 2.74Å
366V60.3Low69.7Low56 Ų5671.6 Ų71.634%0.33937%0.367SS..Hα-helixtrans-63.5-33.4-175.9173.40000112.8Q247 V249 H369 I370Q247-V366 HydrophobicContact CB-CB 4.23Å; Q247-V366 HydrophobicContact CB-CG2 4.2Å; Q247-V366 WeakPolarHBondContact O-CB 3.21Å; Q247-V366 VanDerWaalsContact O-CG2 3.27Å; Q247-V366 WeakPolarHBondContact O-CG2 3.47Å; Q247-V366 PolarHBondContact O-N 2.75Å; V249-V366 HydrophobicContact CG2-CG2 3.8Å; V366-H369 WeakPolarHBondContact O-CA 3.49Å; V366-H369 WeakPolarHBondContact O-CB 3.47Å; V366-H369 PolarHBondContact O-N 3.19Å; V366-H369 VanDerWaalsContact O-N 3.15Å; V366-I370 PolarHBondContact O-N 2.76Å
367N55Low68.5Low52 Ų5269.2 Ų69.228%0.27836%0.363SS..Hα-helixtrans-72.3-42.9176.4-65.5-21.9000111.5I245 N246 N365 H369 I370 T371I245-N367 VanDerWaalsContact C-ND2 3.32Å; I245-N367 WeakPolarHBondContact CG2-ND2 3.49Å; I245-N367 PolarHBondContact O-ND2 3.37Å; N246-N367 PolarHBondContact OD1-ND2 3.42Å; N365-N367 VanDerWaalsContact C-N 3.32Å; N365-N367 PolarHBondContact O-N 2.85Å; N365-N367 WeakPolarHBondContact OD1-CB 3.15Å; N365-N367 PolarHBondContact OD1-N 3.43Å; N367-H369 PolarHBondContact O-N 3.32Å; N367-I370 PolarHBondContact O-N 2.58Å; N367-T371 PolarHBondContact O-N 3.37Å
368N50.5Low67.9Low76 Ų7673 Ų7341%0.40638%0.383SS..Hα-helixtrans-61.2-25.3171.3-158.312.9000110.2N365 T371 Q372N365-N368 HydrophobicContact CB-CB 3.88Å; N365-N368 CarbonylContact O-C 3.44Å; N365-N368 PolarHBondContact O-N 2.81Å; N365-N368 PolarHBondContact OD1-N 2.87Å; N365-N368 VanDerWaalsContact OD1-N 3.16Å; N368-T371 PolarHBondContact O-N 3.31Å; N368-Q372 WeakPolarHBondContact O-CA 3.31Å; N368-Q372 WeakPolarHBondContact O-CB 3.4Å; N368-Q372 WeakPolarHBondContact O-CG 3.36Å; N368-Q372 PolarHBondContact O-N 3.26Å
369H50.4Low67.6Low52 Ų5274.5 Ų74.524%0.24138%0.383CS..Hα-helixtrans-69.8-28.1172.4-132.5-49.6000113.6N365 V366 N367 Y373N365-H369 PolarHBondContact O-N 2.74Å; V366-H369 WeakPolarHBondContact O-CA 3.49Å; V366-H369 WeakPolarHBondContact O-CB 3.47Å; V366-H369 PolarHBondContact O-N 3.19Å; V366-H369 VanDerWaalsContact O-N 3.15Å; N367-H369 PolarHBondContact O-N 3.32Å; H369-Y373 AromaticContact CE1-CE1 3.92Å; H369-Y373 AromaticContact CE1-CE2 3.44Å; H369-Y373 VanDerWaalsContact CE1-CE2 3.44Å; H369-Y373 WeakPolarHBondContact CE1-CE2 3.35Å; H369-Y373 AromaticContact CE1-CZ 3.36Å; H369-Y373 AromaticContact CG-CE2 3.93Å; H369-Y373 AromaticContact ND1-CD2 3.26Å; H369-Y373 VanDerWaalsContact ND1-CD2 3.26Å; H369-Y373 WeakPolarHBondContact ND1-CD2 3.43Å; H369-Y373 AromaticContact ND1-CE2 3.03Å; H369-Y373 WeakPolarHBondContact ND1-CE2 3.41Å; H369-Y373 AromaticContact ND1-CG 3.86Å; H369-Y373 AromaticContact ND1-CZ 3.46Å; H369-Y373 WeakPolarHBondContact O-CA 3.46Å; H369-Y373 WeakPolarHBondContact O-CB 3.49Å; H369-Y373 WeakPolarHBondContact O-CD2 3.47Å; H369-Y373 VanDerWaalsContact O-CG 3.29Å; H369-Y373 PolarHBondContact O-N 3.37Å
370I56.4Low67Low112 Ų11278.2 Ų78.257%0.57440%0.4SS*.Hα-helixtrans-70.3-48169.3-63.3176.1000109.3V366 N367 Q372 Y373 V374V366-I370 PolarHBondContact O-N 2.76Å; N367-I370 PolarHBondContact O-N 2.58Å; I370-Q372 VanDerWaalsContact C-N 3.32Å; I370-Q372 PolarHBondContact O-N 3.02Å; I370-Y373 PolarHBondContact O-N 3.22Å; I370-V374 WeakPolarHBondContact O-CB 3.37Å; I370-V374 VanDerWaalsContact O-CG2 3.29Å; I370-V374 WeakPolarHBondContact O-CG2 3.49Å; I370-V374 PolarHBondContact O-N 2.72Å
371T55.4Low66.5Low94 Ų9477.4 Ų77.458%0.57740%0.397SS*.Hα-helixtrans-66.3-33.4178.6-420000112.3N367 N368 K375N367-T371 PolarHBondContact O-N 3.37Å; N368-T371 PolarHBondContact O-N 3.31Å; T371-K375 VanDerWaalsContact O-CB 3.29Å; T371-K375 WeakPolarHBondContact O-CB 3.22Å; T371-K375 PolarHBondContact O-N 2.63Å
372Q53.3Low66.3Low84 Ų8478.5 Ų78.539%0.39341%0.408SS..Hα-helixtrans-80.7-30174.2-73.9179.7-9.600113N368 I370 K375 I376N368-Q372 WeakPolarHBondContact O-CA 3.31Å; N368-Q372 WeakPolarHBondContact O-CB 3.4Å; N368-Q372 WeakPolarHBondContact O-CG 3.36Å; N368-Q372 PolarHBondContact O-N 3.26Å; I370-Q372 VanDerWaalsContact C-N 3.32Å; I370-Q372 PolarHBondContact O-N 3.02Å; Q372-K375 PolarHBondContact O-N 2.96Å; Q372-I376 WeakPolarHBondContact O-CB 3.31Å; Q372-I376 WeakPolarHBondContact O-CD1 3.39Å; Q372-I376 WeakPolarHBondContact O-CG1 3.45Å; Q372-I376 PolarHBondContact O-N 3.4Å
373Y57.9Low66.2Low137 Ų13782 Ų8254%0.53742%0.422SS..Hα-helixtrans-69-39.3166.6-84.2-52.6000110H369 I370 K375 C377H369-Y373 AromaticContact CE1-CE1 3.92Å; H369-Y373 AromaticContact CE1-CE2 3.44Å; H369-Y373 VanDerWaalsContact CE1-CE2 3.44Å; H369-Y373 WeakPolarHBondContact CE1-CE2 3.35Å; H369-Y373 AromaticContact CE1-CZ 3.36Å; H369-Y373 AromaticContact CG-CE2 3.93Å; H369-Y373 AromaticContact ND1-CD2 3.26Å; H369-Y373 VanDerWaalsContact ND1-CD2 3.26Å; H369-Y373 WeakPolarHBondContact ND1-CD2 3.43Å; H369-Y373 AromaticContact ND1-CE2 3.03Å; H369-Y373 WeakPolarHBondContact ND1-CE2 3.41Å; H369-Y373 AromaticContact ND1-CG 3.86Å; H369-Y373 AromaticContact ND1-CZ 3.46Å; H369-Y373 WeakPolarHBondContact O-CA 3.46Å; H369-Y373 WeakPolarHBondContact O-CB 3.49Å; H369-Y373 WeakPolarHBondContact O-CD2 3.47Å; H369-Y373 VanDerWaalsContact O-CG 3.29Å; H369-Y373 PolarHBondContact O-N 3.37Å; I370-Y373 PolarHBondContact O-N 3.22Å; Y373-K375 VanDerWaalsContact C-N 3.33Å; Y373-C377 WeakPolarHBondContact O-CA 3.48Å; Y373-C377 WeakPolarHBondContact O-CB 3.41Å; Y373-C377 PolarHBondContact O-N 2.91Å; Y373-C377 PolarHBondContact O-SG 3.09Å
374V63.8Low66.1Low76 Ų7683.1 Ų83.146%0.46143%0.425SS..Hα-helixtrans-61.5-42.8169.5169.70000110.1I370 N378I370-V374 WeakPolarHBondContact O-CB 3.37Å; I370-V374 VanDerWaalsContact O-CG2 3.29Å; I370-V374 WeakPolarHBondContact O-CG2 3.49Å; I370-V374 PolarHBondContact O-N 2.72Å; V374-N378 WeakPolarHBondContact CG1-ND2 3.38Å; V374-N378 WeakPolarHBondContact O-CA 3.4Å; V374-N378 WeakPolarHBondContact O-CB 3.45Å; V374-N378 PolarHBondContact O-N 2.99Å; V374-N378 PolarHBondContact O-ND2 2.84Å; V374-N378 PolarHBondContact O-OD1 3.05Å
375K64.6Low66.6Low119 Ų11984.9 Ų84.952%0.51743%0.434SS..Hα-helixtrans-65.6-48.6177.1-166175.6-172.1-88.70112.4T371 Q372 Y373 N378 E379T371-K375 VanDerWaalsContact O-CB 3.29Å; T371-K375 WeakPolarHBondContact O-CB 3.22Å; T371-K375 PolarHBondContact O-N 2.63Å; Q372-K375 PolarHBondContact O-N 2.96Å; Y373-K375 VanDerWaalsContact C-N 3.33Å; K375-N378 CarbonylContact O-C 3.58Å; K375-N378 PolarHBondContact O-N 3.18Å; K375-E379 WeakPolarHBondContact CE-OE1 3.25Å; K375-E379 HydrophobicContact CG-CG 4.41Å; K375-E379 IonicContact NZ-OE1 2.64Å; K375-E379 PolarHBondContact NZ-OE1 3.08Å; K375-E379 VanDerWaalsContact O-CB 3.29Å; K375-E379 WeakPolarHBondContact O-CB 3.48Å; K375-E379 VanDerWaalsContact O-CG 3.24Å; K375-E379 WeakPolarHBondContact O-CG 3.22Å; K375-E379 PolarHBondContact O-N 2.76Å
376I68.9Low67.6Low61 Ų6186.8 Ų86.831%0.31344%0.444SS..Hα-helixtrans-66.3-41.6177.5-69.4164.1000110.4Q372 N378 E379 Q380Q372-I376 WeakPolarHBondContact O-CB 3.31Å; Q372-I376 WeakPolarHBondContact O-CD1 3.39Å; Q372-I376 WeakPolarHBondContact O-CG1 3.45Å; Q372-I376 PolarHBondContact O-N 3.4Å; I376-N378 VanDerWaalsContact C-N 3.31Å; I376-N378 PolarHBondContact O-N 2.99Å; I376-E379 PolarHBondContact O-N 3.12Å; I376-Q380 HydrophobicContact CG2-CG 4.23Å; I376-Q380 WeakPolarHBondContact O-CB 3.43Å; I376-Q380 WeakPolarHBondContact O-CG 3.24Å; I376-Q380 PolarHBondContact O-N 2.99Å
377C65Low68.8Low52 Ų5288.2 Ų88.235%0.35145%0.449SS..Hα-helixtrans-69-29.3173.5-70.40000111.8Y373 K381Y373-C377 WeakPolarHBondContact O-CA 3.48Å; Y373-C377 WeakPolarHBondContact O-CB 3.41Å; Y373-C377 PolarHBondContact O-N 2.91Å; Y373-C377 PolarHBondContact O-SG 3.09Å; C377-K381 WeakPolarHBondContact O-CA 3.23Å; C377-K381 WeakPolarHBondContact O-CB 3.42Å; C377-K381 WeakPolarHBondContact O-CD 3.35Å; C377-K381 WeakPolarHBondContact O-CG 3.45Å; C377-K381 PolarHBondContact O-N 3.08Å
378N73.1Confident70.2Confident85 Ų8592.1 Ų92.146%0.45546%0.464SS..Hα-helixtrans-78.4-34.4173.7-72.1-9.9000111.8V374 K375 I376 K381 A382V374-N378 WeakPolarHBondContact CG1-ND2 3.38Å; V374-N378 WeakPolarHBondContact O-CA 3.4Å; V374-N378 WeakPolarHBondContact O-CB 3.45Å; V374-N378 PolarHBondContact O-N 2.99Å; V374-N378 PolarHBondContact O-ND2 2.84Å; V374-N378 PolarHBondContact O-OD1 3.05Å; K375-N378 CarbonylContact O-C 3.58Å; K375-N378 PolarHBondContact O-N 3.18Å; I376-N378 VanDerWaalsContact C-N 3.31Å; I376-N378 PolarHBondContact O-N 2.99Å; N378-K381 PolarHBondContact O-N 3.18Å; N378-A382 WeakPolarHBondContact O-CA 3.11Å; N378-A382 WeakPolarHBondContact O-CB 3.44Å; N378-A382 PolarHBondContact O-N 2.82Å
379E77Confident72Confident93 Ų9394.8 Ų94.844%0.43547%0.474SS..Hα-helixtrans-69.3-44.1172.3-77168.1174.600110.2K375 I376 A382 E383K375-E379 WeakPolarHBondContact CE-OE1 3.25Å; K375-E379 HydrophobicContact CG-CG 4.41Å; K375-E379 IonicContact NZ-OE1 2.64Å; K375-E379 PolarHBondContact NZ-OE1 3.08Å; K375-E379 VanDerWaalsContact O-CB 3.29Å; K375-E379 WeakPolarHBondContact O-CB 3.48Å; K375-E379 VanDerWaalsContact O-CG 3.24Å; K375-E379 WeakPolarHBondContact O-CG 3.22Å; K375-E379 PolarHBondContact O-N 2.76Å; I376-E379 PolarHBondContact O-N 3.12Å; E379-A382 CarbonylContact O-C 3.47Å; E379-A382 PolarHBondContact O-N 3.1Å; E379-E383 WeakPolarHBondContact O-CB 3.45Å; E379-E383 PolarHBondContact O-N 2.65Å
380Q70.9Confident73.6Confident93 Ų9398.4 Ų98.444%0.43549%0.489SS..Hα-helixtrans-67.7-36.4171.6-73.3174.5-15.800111.9I376 I384I376-Q380 HydrophobicContact CG2-CG 4.23Å; I376-Q380 WeakPolarHBondContact O-CB 3.43Å; I376-Q380 WeakPolarHBondContact O-CG 3.24Å; I376-Q380 PolarHBondContact O-N 2.99Å; Q380-I384 WeakPolarHBondContact O-CB 3.48Å; Q380-I384 WeakPolarHBondContact O-CD1 3.47Å; Q380-I384 WeakPolarHBondContact O-CG1 3.42Å; Q380-I384 PolarHBondContact O-N 3.46Å
381K76.1Confident74.9Confident123 Ų12398.1 Ų98.154%0.53549%0.488SS..Hα-helixtrans-69.2-37.9171.9-80.4167.4-175.7177.80111.3C377 N378 I384 L385C377-K381 WeakPolarHBondContact O-CA 3.23Å; C377-K381 WeakPolarHBondContact O-CB 3.42Å; C377-K381 WeakPolarHBondContact O-CD 3.35Å; C377-K381 WeakPolarHBondContact O-CG 3.45Å; C377-K381 PolarHBondContact O-N 3.08Å; N378-K381 PolarHBondContact O-N 3.18Å; K381-I384 PolarHBondContact O-N 3.34Å; K381-L385 WeakPolarHBondContact O-CB 3.44Å; K381-L385 WeakPolarHBondContact O-CD1 3.43Å; K381-L385 WeakPolarHBondContact O-CG 3.46Å; K381-L385 PolarHBondContact O-N 3.36Å
382A82.6Confident76.3Confident54 Ų5498.9 Ų98.945%0.44648%0.484SS..Hα-helixtrans-69.5-37.5175.200000110.9N378 E379 L385 L386N378-A382 WeakPolarHBondContact O-CA 3.11Å; N378-A382 WeakPolarHBondContact O-CB 3.44Å; N378-A382 PolarHBondContact O-N 2.82Å; E379-A382 CarbonylContact O-C 3.47Å; E379-A382 PolarHBondContact O-N 3.1Å; A382-L385 PolarHBondContact O-N 3.14Å; A382-L386 WeakPolarHBondContact O-CB 3.42Å; A382-L386 PolarHBondContact O-N 3.22Å
383E81Confident77.6Confident118 Ų11896.8 Ų96.855%0.55148%0.48SS*.Hα-helixtrans-69.1-42.5172.6-175.6177.3-158.900110.7E379 L385 L386 L387E379-E383 WeakPolarHBondContact O-CB 3.45Å; E379-E383 PolarHBondContact O-N 2.65Å; E383-L385 VanDerWaalsContact C-N 3.34Å; E383-L386 CarbonylContact O-C 3.5Å; E383-L386 PolarHBondContact O-N 3.41Å; E383-L387 HydrophobicContact CG-CD1 3.85Å; E383-L387 HydrophobicContact CG-CG 4.25Å; E383-L387 WeakPolarHBondContact O-CA 3.31Å; E383-L387 WeakPolarHBondContact O-CB 3.38Å; E383-L387 WeakPolarHBondContact O-CG 2.86Å; E383-L387 PolarHBondContact O-N 3.24Å
384I82.3Confident78.6Confident88 Ų8898.3 Ų98.345%0.45149%0.486SS..Hα-helixtrans-64.9-38.2172.6-73.4164.2000110.8Q380 K381 K388Q380-I384 WeakPolarHBondContact O-CB 3.48Å; Q380-I384 WeakPolarHBondContact O-CD1 3.47Å; Q380-I384 WeakPolarHBondContact O-CG1 3.42Å; Q380-I384 PolarHBondContact O-N 3.46Å; K381-I384 PolarHBondContact O-N 3.34Å; I384-K388 HydrophobicContact CG2-CD 3.94Å; I384-K388 HydrophobicContact CG2-CG 4.37Å; I384-K388 WeakPolarHBondContact O-CB 3.23Å; I384-K388 WeakPolarHBondContact O-CG 3.43Å; I384-K388 PolarHBondContact O-N 3.17Å
385L87.2Confident79.2Confident115 Ų115100.8 Ų100.860%0.60249%0.493SS*.Hα-helixtrans-67.7-44.8174.5-80.3166.1000110.7K381 A382 E383 K388 E389K381-L385 WeakPolarHBondContact O-CB 3.44Å; K381-L385 WeakPolarHBondContact O-CD1 3.43Å; K381-L385 WeakPolarHBondContact O-CG 3.46Å; K381-L385 PolarHBondContact O-N 3.36Å; A382-L385 PolarHBondContact O-N 3.14Å; E383-L385 VanDerWaalsContact C-N 3.34Å; L385-K388 CarbonylContact O-C 3.58Å; L385-K388 PolarHBondContact O-N 3.35Å; L385-E389 WeakPolarHBondContact O-CA 3.34Å; L385-E389 WeakPolarHBondContact O-CB 3.14Å; L385-E389 PolarHBondContact O-N 3.13Å
386L88.5Confident79.7Confident83 Ų8398.9 Ų98.944%0.43549%0.486SS..Hα-helixtrans-71.4-29178.3-178146.8000112.3A382 E383 K390A382-L386 WeakPolarHBondContact O-CB 3.42Å; A382-L386 PolarHBondContact O-N 3.22Å; E383-L386 CarbonylContact O-C 3.5Å; E383-L386 PolarHBondContact O-N 3.41Å; L386-K390 HydrophobicContact CD2-CD 3.86Å; L386-K390 HydrophobicContact CD2-CG 4.48Å; L386-K390 WeakPolarHBondContact O-CB 3.2Å; L386-K390 WeakPolarHBondContact O-CG 3.36Å; L386-K390 PolarHBondContact O-N 2.82Å
387L84.3Confident79.5Confident85 Ų85102.3 Ų102.345%0.44550%0.501SS..Hα-helixtrans-77.1-36.8170.4-74.7171.5000111E383 L391E383-L387 HydrophobicContact CG-CD1 3.85Å; E383-L387 HydrophobicContact CG-CG 4.25Å; E383-L387 WeakPolarHBondContact O-CA 3.31Å; E383-L387 WeakPolarHBondContact O-CB 3.38Å; E383-L387 WeakPolarHBondContact O-CG 2.86Å; E383-L387 PolarHBondContact O-N 3.24Å; L387-L391 WeakPolarHBondContact O-CB 3.09Å; L387-L391 WeakPolarHBondContact O-CG 3.24Å; L387-L391 PolarHBondContact O-N 3.32Å
388K84.4Confident79.3Confident135 Ų135106.7 Ų106.759%0.58751%0.514SS*.Hα-helixtrans-69.9-33.2170.9-79.2175.9176.9-172.50112.2I384 L385 K392I384-K388 HydrophobicContact CG2-CD 3.94Å; I384-K388 HydrophobicContact CG2-CG 4.37Å; I384-K388 WeakPolarHBondContact O-CB 3.23Å; I384-K388 WeakPolarHBondContact O-CG 3.43Å; I384-K388 PolarHBondContact O-N 3.17Å; L385-K388 CarbonylContact O-C 3.58Å; L385-K388 PolarHBondContact O-N 3.35Å; K388-K392 WeakPolarHBondContact O-CA 3.42Å; K388-K392 WeakPolarHBondContact O-CB 3.29Å; K388-K392 PolarHBondContact O-N 3.36Å
389E88.8Confident78.5Confident132 Ų132104.7 Ų104.762%0.61751%0.509SS*.Hα-helixtrans-78.3-36.6175.8-175.8174.1-147.600110.1L385 K392 A393L385-E389 WeakPolarHBondContact O-CA 3.34Å; L385-E389 WeakPolarHBondContact O-CB 3.14Å; L385-E389 PolarHBondContact O-N 3.13Å; E389-K392 PolarHBondContact O-N 3.47Å; E389-A393 WeakPolarHBondContact O-CA 3.36Å; E389-A393 WeakPolarHBondContact O-CB 3.24Å; E389-A393 PolarHBondContact O-N 3.19Å
390K85.3Confident77.2Confident128 Ų128105.9 Ų105.956%0.55751%0.513SS*.Hα-helixtrans-63.4-43.7165.5-82.2175.4179.51750111.7L386 A393 Y394L386-K390 HydrophobicContact CD2-CD 3.86Å; L386-K390 HydrophobicContact CD2-CG 4.48Å; L386-K390 WeakPolarHBondContact O-CB 3.2Å; L386-K390 WeakPolarHBondContact O-CG 3.36Å; L386-K390 PolarHBondContact O-N 2.82Å; K390-A393 CarbonylContact O-C 3.53Å; K390-A393 PolarHBondContact O-N 3.37Å; K390-Y394 VanDerWaalsContact O-CB 3.26Å; K390-Y394 WeakPolarHBondContact O-CB 3.33Å; K390-Y394 PolarHBondContact O-N 3.3Å
391L82.1Confident76.2Confident105 Ų105104.2 Ų104.255%0.5552%0.515SS..Hα-helixtrans-64.3-44.7175.3-80.3166.9000110.8L387 A393 Y394 E395L387-L391 WeakPolarHBondContact O-CB 3.09Å; L387-L391 WeakPolarHBondContact O-CG 3.24Å; L387-L391 PolarHBondContact O-N 3.32Å; L391-A393 VanDerWaalsContact C-N 3.34Å; L391-A393 PolarHBondContact O-N 2.79Å; L391-Y394 CarbonylContact O-C 3.59Å; L391-Y394 WeakPolarHBondContact O-CA 3.24Å; L391-Y394 WeakPolarHBondContact O-CB 3.37Å; L391-Y394 PolarHBondContact O-N 3.14Å; L391-E395 WeakPolarHBondContact O-CB 3.24Å; L391-E395 VanDerWaalsContact O-CG 3.28Å; L391-E395 WeakPolarHBondContact O-CG 3.5Å; L391-E395 PolarHBondContact O-N 3.14Å
392K85.9Confident74.9Confident111 Ų111103 Ų10348%0.48351%0.514SS..Hα-helixtrans-65.1-36.1175.2-174.6171.1-178.3-72.40111.5K388 E389 Y394 E395 E396K388-K392 WeakPolarHBondContact O-CA 3.42Å; K388-K392 WeakPolarHBondContact O-CB 3.29Å; K388-K392 PolarHBondContact O-N 3.36Å; E389-K392 PolarHBondContact O-N 3.47Å; K392-Y394 VanDerWaalsContact C-N 3.34Å; K392-E395 CarbonylContact O-C 3.59Å; K392-E395 PolarHBondContact O-N 3.4Å; K392-E396 WeakPolarHBondContact CE-OE1 3.33Å; K392-E396 HydrophobicContact CG-CG 4.44Å; K392-E396 IonicContact NZ-OE1 3.68Å; K392-E396 PolarHBondContact NZ-OE1 3.07Å; K392-E396 IonicContact NZ-OE2 2.71Å; K392-E396 WeakPolarHBondContact O-CA 3.47Å; K392-E396 WeakPolarHBondContact O-CB 3.12Å; K392-E396 WeakPolarHBondContact O-CG 3.46Å; K392-E396 PolarHBondContact O-N 3.37Å
393A81.2Confident73.1Confident39 Ų39105.4 Ų105.432%0.32252%0.516SS..Hα-helixtrans-75-21.6171.400000112.5E389 K390 L391 Q397E389-A393 WeakPolarHBondContact O-CA 3.36Å; E389-A393 WeakPolarHBondContact O-CB 3.24Å; E389-A393 PolarHBondContact O-N 3.19Å; K390-A393 CarbonylContact O-C 3.53Å; K390-A393 PolarHBondContact O-N 3.37Å; L391-A393 VanDerWaalsContact C-N 3.34Å; L391-A393 PolarHBondContact O-N 2.79Å; A393-Q397 WeakPolarHBondContact O-CA 3.41Å; A393-Q397 WeakPolarHBondContact O-CB 3.44Å; A393-Q397 WeakPolarHBondContact O-CG 3.3Å; A393-Q397 PolarHBondContact O-N 2.97Å
394Y77.1Confident71.2Confident170 Ų170105.8 Ų105.867%0.66752%0.522SS*.Hα-helixtrans-81.8-35.5171.6-142.1-92.1000110.7K390 L391 K392 K398K390-Y394 VanDerWaalsContact O-CB 3.26Å; K390-Y394 WeakPolarHBondContact O-CB 3.33Å; K390-Y394 PolarHBondContact O-N 3.3Å; L391-Y394 CarbonylContact O-C 3.59Å; L391-Y394 WeakPolarHBondContact O-CA 3.24Å; L391-Y394 WeakPolarHBondContact O-CB 3.37Å; L391-Y394 PolarHBondContact O-N 3.14Å; K392-Y394 VanDerWaalsContact C-N 3.34Å; Y394-K398 WeakPolarHBondContact O-CB 3.42Å; Y394-K398 PolarHBondContact O-N 2.83Å
395E76.8Confident69.3Low128 Ų128105.2 Ų105.260%0.59852%0.52SS*.Hα-helixtrans-73.1-36.4172-74.6171.4174.900110.7L391 K392 K398 A399L391-E395 WeakPolarHBondContact O-CB 3.24Å; L391-E395 VanDerWaalsContact O-CG 3.28Å; L391-E395 WeakPolarHBondContact O-CG 3.5Å; L391-E395 PolarHBondContact O-N 3.14Å; K392-E395 CarbonylContact O-C 3.59Å; K392-E395 PolarHBondContact O-N 3.4Å; E395-K398 CarbonylContact O-C 3.5Å; E395-K398 PolarHBondContact O-N 2.95Å; E395-A399 VanDerWaalsContact O-CB 3.24Å; E395-A399 WeakPolarHBondContact O-CB 3.09Å; E395-A399 PolarHBondContact O-N 3.42Å
396E74.8Confident67.1Low78 Ų78106.2 Ų106.236%0.36452%0.519SS..Hα-helixtrans-77.4-35.4171.3-75.6168.8178.500111K392 K398 A399 F400K392-E396 WeakPolarHBondContact CE-OE1 3.33Å; K392-E396 HydrophobicContact CG-CG 4.44Å; K392-E396 IonicContact NZ-OE1 3.68Å; K392-E396 PolarHBondContact NZ-OE1 3.07Å; K392-E396 IonicContact NZ-OE2 2.71Å; K392-E396 WeakPolarHBondContact O-CA 3.47Å; K392-E396 WeakPolarHBondContact O-CB 3.12Å; K392-E396 WeakPolarHBondContact O-CG 3.46Å; K392-E396 PolarHBondContact O-N 3.37Å; E396-K398 VanDerWaalsContact C-N 3.27Å; E396-K398 PolarHBondContact O-N 3.31Å; E396-A399 CarbonylContact O-C 3.56Å; E396-A399 PolarHBondContact O-N 3.43Å; E396-F400 HydrophobicContact CB-CD2 4.36Å; E396-F400 VanDerWaalsContact O-CB 3.26Å; E396-F400 WeakPolarHBondContact O-CB 3.43Å; E396-F400 WeakPolarHBondContact O-CD2 3.35Å; E396-F400 PolarHBondContact O-N 3.25Å
397Q64.6Low65Low134 Ų134105.6 Ų105.663%0.62653%0.533SS*.Hα-helixtrans-68-30.5166.8-81.5175.91.500111.3A393 A401A393-Q397 WeakPolarHBondContact O-CA 3.41Å; A393-Q397 WeakPolarHBondContact O-CB 3.44Å; A393-Q397 WeakPolarHBondContact O-CG 3.3Å; A393-Q397 PolarHBondContact O-N 2.97Å; Q397-A401 WeakPolarHBondContact O-CA 3.4Å; Q397-A401 WeakPolarHBondContact O-CB 3.17Å; Q397-A401 PolarHBondContact O-N 2.89Å
398K62Low62.9Low144 Ų144109.6 Ų109.663%0.62655%0.547SS*.Hα-helixtrans-72.7-30169-170.7173.1-175.6178.50111.4Y394 E395 E396 A401 N402Y394-K398 WeakPolarHBondContact O-CB 3.42Å; Y394-K398 PolarHBondContact O-N 2.83Å; E395-K398 CarbonylContact O-C 3.5Å; E395-K398 PolarHBondContact O-N 2.95Å; E396-K398 VanDerWaalsContact C-N 3.27Å; E396-K398 PolarHBondContact O-N 3.31Å; K398-A401 CarbonylContact O-C 3.48Å; K398-N402 VanDerWaalsContact O-CB 3.3Å; K398-N402 WeakPolarHBondContact O-CB 3.38Å; K398-N402 PolarHBondContact O-N 3.27Å; K398-N402 PolarHBondContact O-ND2 3.22Å
399A56.5Low60.8Low43 Ų43107.1 Ų107.136%0.35554%0.54SS..Hα-helixtrans-78.6-39175.100000111.9E395 E396 N402 E403E395-A399 VanDerWaalsContact O-CB 3.24Å; E395-A399 WeakPolarHBondContact O-CB 3.09Å; E395-A399 PolarHBondContact O-N 3.42Å; E396-A399 CarbonylContact O-C 3.56Å; E396-A399 PolarHBondContact O-N 3.43Å; A399-N402 CarbonylContact O-C 3.54Å; A399-N402 WeakPolarHBondContact O-CA 3.38Å; A399-N402 VanDerWaalsContact O-CB 3.31Å; A399-N402 WeakPolarHBondContact O-CB 3.49Å; A399-N402 PolarHBondContact O-N 3.44Å; A399-E403 WeakPolarHBondContact O-CB 3.48Å; A399-E403 WeakPolarHBondContact O-CG 3.35Å; A399-E403 PolarHBondContact O-N 3.04Å
400F49.9Very low58.7Low117 Ų117109.1 Ų109.151%0.51355%0.551SS.*Hα-helixtrans-73.1-32.8171.6-80.1-68000111.1E396 N402 E403 N404E396-F400 HydrophobicContact CB-CD2 4.36Å; E396-F400 VanDerWaalsContact O-CB 3.26Å; E396-F400 WeakPolarHBondContact O-CB 3.43Å; E396-F400 WeakPolarHBondContact O-CD2 3.35Å; E396-F400 PolarHBondContact O-N 3.25Å; F400-N402 PolarHBondContact O-N 3Å; F400-E403 PolarHBondContact O-N 3.08Å; F400-E403 VanDerWaalsContact O-N 3.11Å; F400-N404 WeakPolarHBondContact O-CA 3.43Å; F400-N404 VanDerWaalsContact O-CB 3.3Å; F400-N404 WeakPolarHBondContact O-CB 3.23Å; F400-N404 PolarHBondContact O-N 2.94Å
401A49.5Very low57Low59 Ų59110.2 Ų110.249%0.48856%0.562SS.*THydrogen-bonded Turntrans-72.2-2.9161.700000113Q397 K398 D405Q397-A401 WeakPolarHBondContact O-CA 3.4Å; Q397-A401 WeakPolarHBondContact O-CB 3.17Å; Q397-A401 PolarHBondContact O-N 2.89Å; K398-A401 CarbonylContact O-C 3.48Å; A401-D405 WeakPolarHBondContact O-CB 3.43Å
402N47.6Very low55.2Low96 Ų96107.6 Ų107.651%0.51355%0.552SS.*THydrogen-bonded Turntrans-112.26.2165.2-73.1-38.9000112.1K398 A399 F400 K406K398-N402 VanDerWaalsContact O-CB 3.3Å; K398-N402 WeakPolarHBondContact O-CB 3.38Å; K398-N402 PolarHBondContact O-N 3.27Å; K398-N402 PolarHBondContact O-ND2 3.22Å; A399-N402 CarbonylContact O-C 3.54Å; A399-N402 WeakPolarHBondContact O-CA 3.38Å; A399-N402 VanDerWaalsContact O-CB 3.31Å; A399-N402 WeakPolarHBondContact O-CB 3.49Å; A399-N402 PolarHBondContact O-N 3.44Å; F400-N402 PolarHBondContact O-N 3Å; N402-K406 VanDerWaalsContact O-CD 3.26Å; N402-K406 WeakPolarHBondContact O-CD 3.45Å; N402-K406 WeakPolarHBondContact O-CE 3.48Å; N402-K406 WeakPolarHBondContact O-CG 3.14Å
403E45.2Very low53.8Low105 Ų105106.2 Ų106.249%0.49155%0.55SS..THydrogen-bonded Turntrans-127.3-47-179.1-66.7-127.8124.600112.1A399 F400 D405 K406 G407A399-E403 WeakPolarHBondContact O-CB 3.48Å; A399-E403 WeakPolarHBondContact O-CG 3.35Å; A399-E403 PolarHBondContact O-N 3.04Å; F400-E403 PolarHBondContact O-N 3.08Å; F400-E403 VanDerWaalsContact O-N 3.11Å; E403-D405 PolarHBondContact O-N 2.95Å; E403-K406 HydrophobicContact CG-CD 4.44Å; E403-K406 WeakPolarHBondContact O-CA 3.44Å; E403-K406 WeakPolarHBondContact O-CB 3.32Å; E403-K406 PolarHBondContact O-N 3.5Å; E403-K406 IonicContact OE1-NZ 2.62Å; E403-K406 PolarHBondContact OE1-NZ 3.11Å; E403-G407 PolarHBondContact O-N 3.22Å; E403-G407 VanDerWaalsContact O-N 3.13Å
404N41.8Very low53Low127 Ų127108.9 Ų108.968%0.67956%0.564SS**THydrogen-bonded Turntrans-63.2-28160.7-70.8-26.8000110.7F400 G407 K408F400-N404 WeakPolarHBondContact O-CA 3.43Å; F400-N404 VanDerWaalsContact O-CB 3.3Å; F400-N404 WeakPolarHBondContact O-CB 3.23Å; F400-N404 PolarHBondContact O-N 2.94Å; N404-G407 PolarHBondContact O-N 3.29Å; N404-K408 PolarHBondContact O-N 2.71Å
405D42.8Very low52.5Low75 Ų75104.1 Ų104.140%0.40155%0.548SS..THydrogen-bonded Turntrans-84.5-8.2168.2-143.432.7000113.1A401 E403 G407 K408 L409A401-D405 WeakPolarHBondContact O-CB 3.43Å; E403-D405 PolarHBondContact O-N 2.95Å; D405-G407 VanDerWaalsContact C-N 3.31Å; D405-K408 CarbonylContact O-C 3.54Å; D405-K408 PolarHBondContact O-N 2.82Å; D405-L409 HydrophobicContact CB-CD1 4.24Å; D405-L409 WeakPolarHBondContact O-CA 3.35Å; D405-L409 WeakPolarHBondContact O-CB 2.99Å; D405-L409 WeakPolarHBondContact O-CD1 3.47Å; D405-L409 PolarHBondContact O-N 2.78Å; D405-L409 WeakPolarHBondContact OD2-CD1 3.33Å
406K41.2Very low52.1Low136 Ų136104 Ų10459%0.59155%0.547SS*.THydrogen-bonded Turntrans-74.8-23.8158.4-79.4164.2-163.3167.80112.1N402 E403 K408N402-K406 VanDerWaalsContact O-CD 3.26Å; N402-K406 WeakPolarHBondContact O-CD 3.45Å; N402-K406 WeakPolarHBondContact O-CE 3.48Å; N402-K406 WeakPolarHBondContact O-CG 3.14Å; E403-K406 HydrophobicContact CG-CD 4.44Å; E403-K406 WeakPolarHBondContact O-CA 3.44Å; E403-K406 WeakPolarHBondContact O-CB 3.32Å; E403-K406 PolarHBondContact O-N 3.5Å; E403-K406 IonicContact OE1-NZ 2.62Å; E403-K406 PolarHBondContact OE1-NZ 3.11Å; K406-K408 VanDerWaalsContact C-N 3.27Å
407G43.6Very low52.2Low70 Ų70106.9 Ų106.972%0.72256%0.559SS**THydrogen-bonded Turntrans-75-13.9168.500000113.9E403 N404 D405E403-G407 PolarHBondContact O-N 3.22Å; E403-G407 VanDerWaalsContact O-N 3.13Å; N404-G407 PolarHBondContact O-N 3.29Å; D405-G407 VanDerWaalsContact C-N 3.31Å
408K38.9Very low52.8Low170 Ų170104.9 Ų104.974%0.73955%0.549SS*.THydrogen-bonded Turntrans-1314.6178.4-133.7175.7-177.6-179.40115.9N404 D405 K406 M410N404-K408 PolarHBondContact O-N 2.71Å; D405-K408 CarbonylContact O-C 3.54Å; D405-K408 PolarHBondContact O-N 2.82Å; K406-K408 VanDerWaalsContact C-N 3.27Å; K408-M410 PolarHBondContact O-N 2.85Å
409L40.6Very low53.7Low82 Ų8298.9 Ų98.943%0.42952%0.524SS..  trans-70.371.5159.1-11078.8000109.5D405D405-L409 HydrophobicContact CB-CD1 4.24Å; D405-L409 WeakPolarHBondContact O-CA 3.35Å; D405-L409 WeakPolarHBondContact O-CB 2.99Å; D405-L409 WeakPolarHBondContact O-CD1 3.47Å; D405-L409 PolarHBondContact O-N 2.78Å; D405-L409 WeakPolarHBondContact OD2-CD1 3.33Å
410M45.3Very low54.9Low175 Ų175102.9 Ų102.986%0.86254%0.535SS*.SBend-104.4115.9126.6-90.2-160.6158.300107.6K408K408-M410 PolarHBondContact O-N 2.85Å
411I49.2Very low56.7Low151 Ų151104.1 Ų104.177%0.77454%0.536SS*.  trans80.662.3173.1-38.8154000114.9
412S45Very low58.5Low50 Ų50101.9 Ų101.935%0.3552%0.516SS..  trans-75.8120.8149.364.20000108.5
413N57.3Low60.3Low81 Ų81100.2 Ų100.243%0.43351%0.505SS..  trans-63.1131.1-175-94.1-29.4000111.6Q415 E416N413-Q415 HydrophobicContact CB-CB 4.44Å; N413-Q415 PolarHBondContact O-N 3.09Å; N413-Q415 VanDerWaalsContact O-N 3.13Å; N413-E416 PolarHBondContact O-N 3.45Å
414P64.4Low62.4Low96 Ų96102.1 Ų102.162%0.62351%0.514SS*.Hα-helixtrans-59.7-26.4175.423.6-32.7000112.5E416 K417 E418P414-E416 VanDerWaalsContact C-N 3.34Å; P414-E416 PolarHBondContact O-N 2.68Å; P414-K417 PolarHBondContact O-N 2.91Å; P414-E418 PolarHBondContact O-N 3.37Å
415Q64.8Low64.6Low70 Ų7098.2 Ų98.233%0.32749%0.492SS..Hα-helixtrans-61.2-32.5-178.3-158.1172.316.900114.1N413 E418 I419 L522N413-Q415 HydrophobicContact CB-CB 4.44Å; N413-Q415 PolarHBondContact O-N 3.09Å; N413-Q415 VanDerWaalsContact O-N 3.13Å; Q415-E418 PolarHBondContact O-N 3.36Å; Q415-I419 WeakPolarHBondContact O-CG1 3.29Å; Q415-I419 PolarHBondContact O-N 2.62Å; Q415-I419 VanDerWaalsContact O-N 3.09Å; Q415-L522 PolarHBondContact NE2-O 3.27Å
416E68.8Low66.8Low124 Ų12494.6 Ų94.658%0.57947%0.473SS*.Hα-helixtrans-72.2-38.2-178.1-70.1172.7170.600111.8N413 P414 E418 I419 E420N413-E416 PolarHBondContact O-N 3.45Å; P414-E416 VanDerWaalsContact C-N 3.34Å; P414-E416 PolarHBondContact O-N 2.68Å; E416-E418 VanDerWaalsContact C-N 3.31Å; E416-E418 PolarHBondContact O-N 3Å; E416-I419 PolarHBondContact O-N 3.36Å; E416-E420 PolarHBondContact O-N 3.42Å
417K76.6Confident69.1Low140 Ų14092.4 Ų92.461%0.60947%0.468SS*.Hα-helixtrans-69-30.4175.6-66.4-180180174.10112.4P414 R421P414-K417 PolarHBondContact O-N 2.91Å; K417-R421 PolarHBondContact O-N 3.04Å
418E77.3Confident71.4Confident91 Ų9193.5 Ų93.543%0.42546%0.464SS..Hα-helixtrans-71.7-37.4172.8-67.1-175.8131.400111.4P414 Q415 E416 R421 F422 L522P414-E418 PolarHBondContact O-N 3.37Å; Q415-E418 PolarHBondContact O-N 3.36Å; E416-E418 VanDerWaalsContact C-N 3.31Å; E416-E418 PolarHBondContact O-N 3Å; E418-R421 WeakPolarHBondContact O-CB 3.5Å; E418-R421 PolarHBondContact O-N 2.82Å; E418-F422 WeakPolarHBondContact O-CD2 3.31Å; E418-F422 PolarHBondContact O-N 3.48Å; E418-L522 HydrophobicContact CB-CD1 4.08Å; E418-L522 HydrophobicContact CB-CD2 3.96Å; E418-L522 HydrophobicContact CG-CD2 4.47Å; E418-L522 VanDerWaalsContact OE2-CD2 3.23Å; E418-L522 WeakPolarHBondContact OE2-CD2 3.39Å
419I80.8Confident73.9Confident18 Ų1886.5 Ų86.59%0.09243%0.434CS..Hα-helixtrans-59.8-49174.8-72.7164.6000111.5Q415 E416 R421 F422 Q423 P529 L532Q415-I419 WeakPolarHBondContact O-CG1 3.29Å; Q415-I419 PolarHBondContact O-N 2.62Å; Q415-I419 VanDerWaalsContact O-N 3.09Å; E416-I419 PolarHBondContact O-N 3.36Å; I419-R421 VanDerWaalsContact C-N 3.32Å; I419-R421 PolarHBondContact O-N 3.23Å; I419-F422 PolarHBondContact O-N 3.11Å; I419-F422 VanDerWaalsContact O-N 3.15Å; I419-Q423 PolarHBondContact O-N 3.29Å; I419-P529 HydrophobicContact CD1-CB 4.37Å; I419-L532 HydrophobicContact CG1-CD1 4.18Å; I419-L532 HydrophobicContact CG1-CG 4.49Å; I419-L532 HydrophobicContact CG2-CD2 4.24Å; I419-L532 HydrophobicContact CG2-CG 4.14Å
420E83Confident76.3Confident128 Ų12883.1 Ų83.160%0.59842%0.416SS*.Hα-helixtrans-57.1-44.3176.3-69.9-172.814900111.7E416 F422 Q423 E424E416-E420 PolarHBondContact O-N 3.42Å; E420-F422 VanDerWaalsContact C-N 3.33Å; E420-F422 PolarHBondContact O-N 3.04Å; E420-Q423 WeakPolarHBondContact O-CB 3.18Å; E420-Q423 PolarHBondContact O-N 3.15Å; E420-Q423 VanDerWaalsContact O-N 3.14Å; E420-E424 PolarHBondContact O-N 3.17Å
421R87.4Confident78.5Confident142 Ų14279.4 Ų79.454%0.53640%0.396SS..Hα-helixtrans-59-41.3176.7-178.2-178.7178-90.9-0.4112.4K417 E418 I419 E424 I425K417-R421 PolarHBondContact O-N 3.04Å; E418-R421 WeakPolarHBondContact O-CB 3.5Å; E418-R421 PolarHBondContact O-N 2.82Å; I419-R421 VanDerWaalsContact C-N 3.32Å; I419-R421 PolarHBondContact O-N 3.23Å; R421-E424 PolarHBondContact O-N 3.38Å; R421-I425 HydrophobicContact CG-CD1 4.15Å; R421-I425 WeakPolarHBondContact O-CG1 3.23Å; R421-I425 PolarHBondContact O-N 3.39Å
422F86.9Confident80.6Confident12 Ų1275.9 Ų75.95%0.05338%0.379CS..Hα-helixtrans-72-29.4177.5-79.6-72.4000112.9E418 I419 E420 I425 L426 V515 E518 M519 L522 L532E418-F422 WeakPolarHBondContact O-CD2 3.31Å; E418-F422 PolarHBondContact O-N 3.48Å; I419-F422 PolarHBondContact O-N 3.11Å; I419-F422 VanDerWaalsContact O-N 3.15Å; E420-F422 VanDerWaalsContact C-N 3.33Å; E420-F422 PolarHBondContact O-N 3.04Å; F422-I425 HydrophobicContact CD1-CD1 4.16Å; F422-I425 HydrophobicContact CE1-CD1 4.38Å; F422-I425 PolarHBondContact O-N 3.45Å; F422-L426 WeakPolarHBondContact O-CB 3.44Å; F422-L426 VanDerWaalsContact O-CG 3.31Å; F422-L426 WeakPolarHBondContact O-CG 3.48Å; F422-L426 PolarHBondContact O-N 3.01Å; F422-V515 HydrophobicContact CD1-CG1 4.07Å; F422-V515 HydrophobicContact CE1-CG1 4.38Å; F422-E518 HydrophobicContact CE1-CB 3.88Å; F422-E518 HydrophobicContact CZ-CB 3.88Å; F422-M519 HydrophobicContact CB-CG 4.14Å; F422-M519 HydrophobicContact CD1-CG 3.54Å; F422-M519 HydrophobicContact CD1-SD 4.44Å; F422-M519 HydrophobicContact CD2-CG 4.45Å; F422-M519 HydrophobicContact CE1-CG 4.03Å; F422-M519 HydrophobicContact CG-CG 3.79Å; F422-L522 HydrophobicContact CD2-CD1 3.39Å; F422-L522 HydrophobicContact CD2-CG 4.42Å; F422-L522 HydrophobicContact CE2-CD1 3.49Å; F422-L522 VanDerWaalsContact CE2-CD1 3.49Å; F422-L522 HydrophobicContact CE2-CD2 4.41Å; F422-L522 HydrophobicContact CE2-CG 4.07Å; F422-L522 HydrophobicContact CG-CD1 4.48Å; F422-L532 HydrophobicContact CB-CD1 4.01Å; F422-L532 HydrophobicContact CB-CD2 3.93Å
423Q86.2Confident82.8Confident62 Ų6274.7 Ų74.729%0.2937%0.367SS..Hα-helixtrans-62.9-42.1171.8-70175-33.700111.9I419 E420 L426 N427 L532 D535I419-Q423 PolarHBondContact O-N 3.29Å; E420-Q423 WeakPolarHBondContact O-CB 3.18Å; E420-Q423 PolarHBondContact O-N 3.15Å; E420-Q423 VanDerWaalsContact O-N 3.14Å; Q423-L426 PolarHBondContact O-N 2.93Å; Q423-N427 PolarHBondContact O-N 2.9Å; Q423-N427 PolarHBondContact O-ND2 3.17Å; Q423-L532 HydrophobicContact CG-CD2 3.71Å; Q423-D535 PolarHBondContact NE2-OD2 2.94Å
424E87.8Confident84.4Confident145 Ų14571.6 Ų71.668%0.67835%0.35SS*.Hα-helixtrans-64.1-41.8175-66.4-172.516000112.3E420 R421 N427 C428E420-E424 PolarHBondContact O-N 3.17Å; R421-E424 PolarHBondContact O-N 3.38Å; E424-N427 PolarHBondContact O-N 3.21Å; E424-C428 PolarHBondContact O-N 2.78Å
425I89.3Confident85.8Confident44 Ų4471.9 Ų71.923%0.22634%0.343CS..Hα-helixtrans-62.6-44.2176.6-66.8166.3000110.9R421 F422 C428 L429 V515R421-I425 HydrophobicContact CG-CD1 4.15Å; R421-I425 WeakPolarHBondContact O-CG1 3.23Å; R421-I425 PolarHBondContact O-N 3.39Å; F422-I425 HydrophobicContact CD1-CD1 4.16Å; F422-I425 HydrophobicContact CE1-CD1 4.38Å; F422-I425 PolarHBondContact O-N 3.45Å; I425-C428 PolarHBondContact O-N 3.07Å; I425-L429 HydrophobicContact CG2-CD1 4.02Å; I425-L429 HydrophobicContact CG2-CG 4.4Å; I425-L429 WeakPolarHBondContact O-CB 3.2Å; I425-L429 WeakPolarHBondContact O-CG 3.5Å; I425-L429 PolarHBondContact O-N 2.82Å; I425-V515 HydrophobicContact CG2-CG1 3.96Å; I425-V515 HydrophobicContact CG2-CG2 3.89Å
426L88.9Confident87.1Confident0 Ų069 Ų690%033%0.33CS..Hα-helixtrans-61.2-46.6175.8-74.1174.3000111.7F422 Q423 C428 L429 F430 L512 V515 M519 L532 L536F422-L426 WeakPolarHBondContact O-CB 3.44Å; F422-L426 VanDerWaalsContact O-CG 3.31Å; F422-L426 WeakPolarHBondContact O-CG 3.48Å; F422-L426 PolarHBondContact O-N 3.01Å; Q423-L426 PolarHBondContact O-N 2.93Å; L426-C428 VanDerWaalsContact C-N 3.33Å; L426-C428 PolarHBondContact O-N 3.13Å; L426-L429 PolarHBondContact O-N 3.31Å; L426-F430 HydrophobicContact CD2-CD2 4.5Å; L426-F430 HydrophobicContact CD2-CE2 4.16Å; L426-F430 WeakPolarHBondContact O-CB 3.38Å; L426-F430 WeakPolarHBondContact O-CD2 3.35Å; L426-F430 PolarHBondContact O-N 3.07Å; L426-L512 HydrophobicContact CD2-CD1 4.28Å; L426-V515 HydrophobicContact CD2-CG1 4.42Å; L426-M519 HydrophobicContact CD1-CE 3.75Å; L426-M519 HydrophobicContact CD1-SD 4.36Å; L426-M519 HydrophobicContact CD2-CE 4.33Å; L426-M519 HydrophobicContact CD2-SD 4.09Å; L426-M519 HydrophobicContact CG-CE 4.38Å; L426-M519 HydrophobicContact CG-SD 4.36Å; L426-L532 HydrophobicContact CD1-CD2 4.31Å; L426-L536 HydrophobicContact CD2-CD1 3.94Å
427N89.9Confident88.2Confident89 Ų8965.7 Ų65.748%0.47631%0.312SS..Hα-helixtrans-55.1-48.1176.7-83-66.3000111.6Q423 E424 Q431 H539Q423-N427 PolarHBondContact O-N 2.9Å; Q423-N427 PolarHBondContact O-ND2 3.17Å; E424-N427 PolarHBondContact O-N 3.21Å; N427-Q431 WeakPolarHBondContact O-CB 3.48Å; N427-Q431 PolarHBondContact O-N 3.01Å; N427-H539 PolarHBondContact OD1-CE1 2.6Å
428C90.6Very high89Confident94 Ų9463.9 Ų63.964%0.63531%0.306SS*.Hα-helixtrans-64.8-44.8178.7-172.40000112.6E424 I425 L426 Q431 N432E424-C428 PolarHBondContact O-N 2.78Å; I425-C428 PolarHBondContact O-N 3.07Å; L426-C428 VanDerWaalsContact C-N 3.33Å; L426-C428 PolarHBondContact O-N 3.13Å; C428-Q431 PolarHBondContact O-N 3.16Å; C428-N432 PolarHBondContact O-N 3.47Å; C428-N432 VanDerWaalsContact O-N 3.17Å
429L91.6Very high89.7Confident22 Ų2262.6 Ų62.612%0.11530%0.3CS..Hα-helixtrans-62.9-43.7178.5-79.1177.7000112.7I425 L426 R433 N508 W511 V515I425-L429 HydrophobicContact CG2-CD1 4.02Å; I425-L429 HydrophobicContact CG2-CG 4.4Å; I425-L429 WeakPolarHBondContact O-CB 3.2Å; I425-L429 WeakPolarHBondContact O-CG 3.5Å; I425-L429 PolarHBondContact O-N 2.82Å; L426-L429 PolarHBondContact O-N 3.31Å; L429-R433 VanDerWaalsContact O-CB 3.3Å; L429-R433 WeakPolarHBondContact O-CB 3.41Å; L429-R433 PolarHBondContact O-N 2.88Å; L429-N508 PolarHBondContact O-ND2 3.47Å; L429-W511 HydrophobicContact CD2-CB 4.03Å; L429-V515 HydrophobicContact CD1-CB 4.03Å; L429-V515 HydrophobicContact CD1-CG1 4.25Å; L429-V515 HydrophobicContact CD1-CG2 3.77Å
430F91.9Very high90.3Very high11 Ų1163.7 Ų63.75%0.04830%0.303CS..Hα-helixtrans-74.3-29.8-179.8-85.8-87.9000113.1L426 R433 E434 L512 L536 H539L426-F430 HydrophobicContact CD2-CD2 4.5Å; L426-F430 HydrophobicContact CD2-CE2 4.16Å; L426-F430 WeakPolarHBondContact O-CB 3.38Å; L426-F430 WeakPolarHBondContact O-CD2 3.35Å; L426-F430 PolarHBondContact O-N 3.07Å; F430-R433 PolarHBondContact O-N 3.4Å; F430-E434 WeakPolarHBondContact O-CB 3.34Å; F430-E434 PolarHBondContact O-N 2.84Å; F430-L512 HydrophobicContact CE2-CD1 3.74Å; F430-L512 HydrophobicContact CE2-CD2 4.4Å; F430-L512 HydrophobicContact CZ-CD1 4.18Å; F430-L512 HydrophobicContact CZ-CD2 4.01Å; F430-L536 HydrophobicContact CE2-CD1 3.79Å; F430-L536 HydrophobicContact CZ-CD1 3.94Å; F430-H539 HydrophobicContact CB-CB 4.21Å; F430-H539 HydrophobicContact CD1-CB 3.67Å; F430-H539 HydrophobicContact CD2-CB 3.72Å; F430-H539 HydrophobicContact CE1-CB 3.85Å; F430-H539 HydrophobicContact CE2-CB 3.91Å; F430-H539 HydrophobicContact CG-CB 3.59Å; F430-H539 HydrophobicContact CZ-CB 3.97Å
431Q91.2Very high90.7Very high98 Ų9857.7 Ų57.746%0.45828%0.275SS..Hα-helixtrans-61.4-49.8170.2-179.858.439.400111N427 C428 R433 E434 E435N427-Q431 WeakPolarHBondContact O-CB 3.48Å; N427-Q431 PolarHBondContact O-N 3.01Å; C428-Q431 PolarHBondContact O-N 3.16Å; Q431-R433 PolarHBondContact O-N 2.71Å; Q431-E434 WeakPolarHBondContact O-CB 3.38Å; Q431-E434 PolarHBondContact O-N 2.73Å; Q431-E435 PolarHBondContact NE2-OE1 3.35Å; Q431-E435 PolarHBondContact O-N 2.95Å; Q431-E435 VanDerWaalsContact O-N 3.11Å
432N92.3Very high90.9Very high77 Ų7754.9 Ų54.941%0.41227%0.267SS..Hα-helixtrans-61.9-43.1175-175.8-2.7000111.7C428 E434 E435 I436C428-N432 PolarHBondContact O-N 3.47Å; C428-N432 VanDerWaalsContact O-N 3.17Å; N432-E434 VanDerWaalsContact C-N 3.25Å; N432-E434 PolarHBondContact O-N 3.39Å; N432-E435 PolarHBondContact O-N 2.99Å; N432-I436 WeakPolarHBondContact O-CG1 3.41Å; N432-I436 PolarHBondContact O-N 3.31Å; N432-I436 VanDerWaalsContact O-N 3.08Å; N432-I436 WeakPolarHBondContact OD1-CD1 3.18Å
433R92.1Very high91.2Very high24 Ų2454.5 Ų54.59%0.09127%0.265CS..Hα-helixtrans-59.7-35.5176.2-166173.3-171.376.3-2.8112.7L429 F430 Q431 R437 F505 N508 T509 L543L429-R433 VanDerWaalsContact O-CB 3.3Å; L429-R433 WeakPolarHBondContact O-CB 3.41Å; L429-R433 PolarHBondContact O-N 2.88Å; F430-R433 PolarHBondContact O-N 3.4Å; Q431-R433 PolarHBondContact O-N 2.71Å; R433-R437 WeakPolarHBondContact O-CB 3.44Å; R433-R437 WeakPolarHBondContact O-CG 3.32Å; R433-R437 PolarHBondContact O-N 3.14Å; R433-R437 VanDerWaalsContact O-N 3.16Å; R433-F505 HydrophobicContact CG-CD2 4.41Å; R433-F505 HydrophobicContact CG-CE2 3.8Å; R433-F505 VanDerWaalsContact CZ-CZ 3.48Å; R433-N508 WeakPolarHBondContact CB-OD1 3.43Å; R433-N508 WeakPolarHBondContact CD-OD1 3.47Å; R433-N508 VanDerWaalsContact CG-OD1 3.28Å; R433-N508 WeakPolarHBondContact CG-OD1 3.48Å; R433-N508 PolarHBondContact NH1-OD1 2.99Å; R433-T509 PolarHBondContact NH1-OG1 3.31Å; R433-T509 PolarHBondContact NH2-OG1 3.16Å; R433-L543 HydrophobicContact CG-CD2 3.85Å
434E91.3Very high91.4Very high16 Ų1653 Ų538%0.07526%0.258CS..Hα-helixtrans-68.2-45.5175-170.6-175.4139.200111.7F430 Q431 N432 I436 R437 Q438 H542 L543 K546F430-E434 WeakPolarHBondContact O-CB 3.34Å; F430-E434 PolarHBondContact O-N 2.84Å; Q431-E434 WeakPolarHBondContact O-CB 3.38Å; Q431-E434 PolarHBondContact O-N 2.73Å; N432-E434 VanDerWaalsContact C-N 3.25Å; N432-E434 PolarHBondContact O-N 3.39Å; E434-I436 PolarHBondContact O-N 3.22Å; E434-R437 PolarHBondContact O-N 3.3Å; E434-R437 VanDerWaalsContact O-N 3.15Å; E434-Q438 HydrophobicContact CG-CG 4.39Å; E434-Q438 WeakPolarHBondContact O-CG 3.39Å; E434-Q438 PolarHBondContact O-N 2.84Å; E434-Q438 PolarHBondContact OE1-NE2 3.1Å; E434-H542 IonicContact OE2-CD2 3.99Å; E434-L543 HydrophobicContact CB-CD1 3.99Å; E434-L543 HydrophobicContact CG-CD1 4.05Å; E434-K546 HydrophobicContact CG-CD 4.16Å; E434-K546 WeakPolarHBondContact OE1-CD 3.41Å; E434-K546 WeakPolarHBondContact OE1-CE 3.43Å; E434-K546 IonicContact OE1-NZ 2.82Å; E434-K546 PolarHBondContact OE1-NZ 3.07Å; E434-K546 VanDerWaalsContact OE2-CD 3.29Å; E434-K546 WeakPolarHBondContact OE2-CD 3.4Å; E434-K546 WeakPolarHBondContact OE2-CE 3.39Å; E434-K546 IonicContact OE2-NZ 2.78Å; E434-K546 PolarHBondContact OE2-NZ 3.22Å
435E92.6Very high91.6Very high102 Ų10247.8 Ų47.848%0.47723%0.234SC..Hα-helixtrans-60-46.8179.1-71.9168.9-157.200111.8Q431 N432 R437 Q438 E439Q431-E435 PolarHBondContact NE2-OE1 3.35Å; Q431-E435 PolarHBondContact O-N 2.95Å; Q431-E435 VanDerWaalsContact O-N 3.11Å; N432-E435 PolarHBondContact O-N 2.99Å; E435-R437 VanDerWaalsContact C-N 3.31Å; E435-R437 PolarHBondContact O-N 2.88Å; E435-Q438 PolarHBondContact O-N 3.41Å; E435-E439 PolarHBondContact O-N 2.85Å; E435-E439 VanDerWaalsContact O-N 3.15Å
436I92.8Very high91.8Very high10 Ų1047.7 Ų47.75%0.05123%0.234CC..Hα-helixtrans-59.1-42.9174.3-61.3163.9000110.7N432 E434 Y440 E501 Q504 F505 N508N432-I436 WeakPolarHBondContact O-CG1 3.41Å; N432-I436 PolarHBondContact O-N 3.31Å; N432-I436 VanDerWaalsContact O-N 3.08Å; N432-I436 WeakPolarHBondContact OD1-CD1 3.18Å; E434-I436 PolarHBondContact O-N 3.22Å; I436-Y440 WeakPolarHBondContact O-CB 3.34Å; I436-Y440 PolarHBondContact O-N 3.33Å; I436-E501 WeakPolarHBondContact CG2-O 3.31Å; I436-Q504 HydrophobicContact CD1-CB 4.22Å; I436-Q504 HydrophobicContact CG1-CB 4.5Å; I436-Q504 HydrophobicContact CG2-CB 4.37Å; I436-F505 HydrophobicContact CG2-CB 3.82Å; I436-F505 HydrophobicContact CG2-CD2 4.19Å; I436-N508 HydrophobicContact CD1-CB 3.97Å
437R92.6Very high91.9Very high55 Ų5548.3 Ų48.321%0.20824%0.237CC..Hα-helixtrans-66.1-38.5178.5-89-72.7179.9133.4-4.8113.4R433 E434 E435 Y440 L441 F505 L543 D547R433-R437 WeakPolarHBondContact O-CB 3.44Å; R433-R437 WeakPolarHBondContact O-CG 3.32Å; R433-R437 PolarHBondContact O-N 3.14Å; R433-R437 VanDerWaalsContact O-N 3.16Å; E434-R437 PolarHBondContact O-N 3.3Å; E434-R437 VanDerWaalsContact O-N 3.15Å; E435-R437 VanDerWaalsContact C-N 3.31Å; E435-R437 PolarHBondContact O-N 2.88Å; R437-Y440 PolarHBondContact O-N 3.45Å; R437-L441 WeakPolarHBondContact O-CB 3.49Å; R437-L441 WeakPolarHBondContact O-CG 3.44Å; R437-L441 PolarHBondContact O-N 3.33Å; R437-F505 HydrophobicContact CG-CD2 4.04Å; R437-F505 HydrophobicContact CG-CE2 3.57Å; R437-F505 HydrophobicContact CG-CZ 4.42Å; R437-F505 VanDerWaalsContact NE-CE2 3.31Å; R437-L543 HydrophobicContact CB-CD1 4.22Å; R437-L543 HydrophobicContact CG-CD1 4.33Å; R437-D547 WeakPolarHBondContact CD-OD2 3.39Å; R437-D547 IonicContact CZ-OD2 2.81Å; R437-D547 IonicContact NE-OD2 3.7Å; R437-D547 IonicContact NH1-OD2 3.22Å; R437-D547 PolarHBondContact NH1-OD2 2.73Å
438Q91.9Very high91.9Very high102 Ų10246.3 Ų46.348%0.47722%0.224SC..Hα-helixtrans-63-47.2176.8-73-175.424.900111.5E434 E435 K442E434-Q438 HydrophobicContact CG-CG 4.39Å; E434-Q438 WeakPolarHBondContact O-CG 3.39Å; E434-Q438 PolarHBondContact O-N 2.84Å; E434-Q438 PolarHBondContact OE1-NE2 3.1Å; E435-Q438 PolarHBondContact O-N 3.41Å; Q438-K442 VanDerWaalsContact O-CB 3.22Å; Q438-K442 WeakPolarHBondContact O-CB 3.27Å; Q438-K442 PolarHBondContact O-N 2.89Å; Q438-K442 VanDerWaalsContact O-N 3.14Å
439E92.5Very high92Very high64 Ų6443.6 Ų43.630%0.29920%0.202SC..Hα-helixtrans-69.3-37.5177.2-72.4-61126.900112.3E435 K442 L443E435-E439 PolarHBondContact O-N 2.85Å; E435-E439 VanDerWaalsContact O-N 3.15Å; E439-K442 PolarHBondContact O-N 3.36Å; E439-K442 WeakPolarHBondContact OE1-CD 3.3Å; E439-K442 IonicContact OE1-NZ 3.31Å; E439-K442 PolarHBondContact OE1-NZ 3.23Å; E439-K442 IonicContact OE2-NZ 3.05Å; E439-K442 PolarHBondContact OE2-NZ 3.24Å; E439-L443 WeakPolarHBondContact O-CG 3.31Å; E439-L443 PolarHBondContact O-N 2.94Å
440Y93.2Very high92Very high40 Ų4042.7 Ų42.716%0.15720%0.197CC..Hα-helixtrans-57.7-52.2173.6179.8-84.8000112.5I436 R437 K442 L443 E444 R498 E501 L502I436-Y440 WeakPolarHBondContact O-CB 3.34Å; I436-Y440 PolarHBondContact O-N 3.33Å; R437-Y440 PolarHBondContact O-N 3.45Å; Y440-K442 VanDerWaalsContact C-N 3.27Å; Y440-K442 PolarHBondContact O-N 3.31Å; Y440-L443 PolarHBondContact O-N 3.03Å; Y440-E444 PolarHBondContact O-N 3.15Å; Y440-R498 HydrophobicContact CD2-CG 4.12Å; Y440-R498 HydrophobicContact CE2-CG 3.68Å; Y440-R498 PolarHBondContact OH-NE 2.92Å; Y440-R498 PolarHBondContact OH-NH2 3.3Å; Y440-E501 HydrophobicContact CD2-CB 4.48Å; Y440-L502 HydrophobicContact CE2-CB 4.32Å; Y440-L502 HydrophobicContact CE2-CD1 4.14Å
441L91.4Very high91.9Very high2 Ų244.1 Ų44.11%0.0120%0.204CC..Hα-helixtrans-65.6-32.3-178.1-72.4172.5000112.2R437 M445 D547 A550 Q551 H554R437-L441 WeakPolarHBondContact O-CB 3.49Å; R437-L441 WeakPolarHBondContact O-CG 3.44Å; R437-L441 PolarHBondContact O-N 3.33Å; L441-M445 PolarHBondContact O-N 3.41Å; L441-D547 HydrophobicContact CD1-CB 3.94Å; L441-D547 WeakPolarHBondContact CD1-OD1 3.46Å; L441-A550 HydrophobicContact CD1-CB 4.06Å; L441-Q551 HydrophobicContact CD2-CG 4.09Å; L441-H554 PolarHBondContact O-CE1 3.18Å; L441-H554 PolarHBondContact O-ND1 3Å
442K92.5Very high91.8Very high84 Ų8439.5 Ų39.537%0.36518%0.183SC..Hα-helixtrans-69.3-42174.3175.4-172.6172.5-157.90111.7Q438 E439 Y440 M445 L446Q438-K442 VanDerWaalsContact O-CB 3.22Å; Q438-K442 WeakPolarHBondContact O-CB 3.27Å; Q438-K442 PolarHBondContact O-N 2.89Å; Q438-K442 VanDerWaalsContact O-N 3.14Å; E439-K442 PolarHBondContact O-N 3.36Å; E439-K442 WeakPolarHBondContact OE1-CD 3.3Å; E439-K442 IonicContact OE1-NZ 3.31Å; E439-K442 PolarHBondContact OE1-NZ 3.23Å; E439-K442 IonicContact OE2-NZ 3.05Å; E439-K442 PolarHBondContact OE2-NZ 3.24Å; Y440-K442 VanDerWaalsContact C-N 3.27Å; Y440-K442 PolarHBondContact O-N 3.31Å; K442-M445 PolarHBondContact O-N 2.99Å; K442-L446 VanDerWaalsContact O-CG 3.3Å; K442-L446 WeakPolarHBondContact O-CG 3.45Å; K442-L446 PolarHBondContact O-N 2.66Å
443L93.4Very high91.7Very high4 Ų439.2 Ų39.22%0.02118%0.178CC..Hα-helixtrans-63.3-42.1172.2-73170.8000111.5E439 Y440 M445 L446 L447 L494 R497 E501E439-L443 WeakPolarHBondContact O-CG 3.31Å; E439-L443 PolarHBondContact O-N 2.94Å; Y440-L443 PolarHBondContact O-N 3.03Å; L443-M445 PolarHBondContact O-N 3.11Å; L443-L446 PolarHBondContact O-N 3Å; L443-L447 WeakPolarHBondContact O-CB 3.41Å; L443-L447 PolarHBondContact O-N 2.96Å; L443-L494 HydrophobicContact CD2-CD2 3.78Å; L443-R497 HydrophobicContact CD1-CB 3.93Å; L443-R497 HydrophobicContact CD2-CB 4.14Å; L443-E501 HydrophobicContact CD1-CG 3.52Å
444E90.3Very high91.6Very high30 Ų3039 Ų3914%0.1418%0.18CC..Hα-helixtrans-60-44.4176-175.4167.4-113.400112.2Y440 L447 K448 R498 F638Y440-E444 PolarHBondContact O-N 3.15Å; E444-L447 WeakPolarHBondContact O-CB 3.49Å; E444-L447 PolarHBondContact O-N 2.96Å; E444-K448 PolarHBondContact O-N 3Å; E444-R498 IonicContact OE1-CZ 2.72Å; E444-R498 IonicContact OE1-NE 3.13Å; E444-R498 IonicContact OE1-NH2 2.99Å; E444-R498 PolarHBondContact OE1-NH2 2.69Å; E444-F638 HydrophobicContact CG-CE1 4.28Å
445M91.8Very high91.5Very high35 Ų3540.2 Ų40.217%0.17219%0.185CC..Hα-helixtrans-62.2-44.2174170.1-92.6-75.100112.8L441 K442 L443 L447 K448 E449 H554L441-M445 PolarHBondContact O-N 3.41Å; K442-M445 PolarHBondContact O-N 2.99Å; L443-M445 PolarHBondContact O-N 3.11Å; M445-L447 PolarHBondContact O-N 2.89Å; M445-K448 PolarHBondContact O-N 3.28Å; M445-E449 WeakPolarHBondContact O-CB 3.14Å; M445-E449 PolarHBondContact O-N 2.79Å; M445-H554 HydrophobicContact CB-CB 3.91Å; M445-H554 HydrophobicContact CG-CB 3.77Å
446L92.7Very high91.2Very high43 Ų4336.2 Ų36.223%0.22517%0.166CC..Hα-helixtrans-64.7-29.7176.2-69.8171.1000112.7K442 L443 N450 L494K442-L446 VanDerWaalsContact O-CG 3.3Å; K442-L446 WeakPolarHBondContact O-CG 3.45Å; K442-L446 PolarHBondContact O-N 2.66Å; L443-L446 PolarHBondContact O-N 3Å; L446-N450 WeakPolarHBondContact O-CB 3.4Å; L446-N450 PolarHBondContact O-N 3.27Å; L446-N450 VanDerWaalsContact O-N 3.09Å; L446-L494 HydrophobicContact CB-CD1 4.05Å; L446-L494 HydrophobicContact CB-CD2 4.12Å; L446-L494 HydrophobicContact CD1-CD2 4.33Å
447L92.1Very high90.9Very high13 Ų1337.6 Ų37.67%0.06817%0.172CC..Hα-helixtrans-70.5-47.3175.1-146.4168.7000110L443 E444 M445 E449 N450 E451 R491 L494 E495L443-L447 WeakPolarHBondContact O-CB 3.41Å; L443-L447 PolarHBondContact O-N 2.96Å; E444-L447 WeakPolarHBondContact O-CB 3.49Å; E444-L447 PolarHBondContact O-N 2.96Å; M445-L447 PolarHBondContact O-N 2.89Å; L447-E449 PolarHBondContact O-N 3.08Å; L447-N450 WeakPolarHBondContact O-CB 3.45Å; L447-N450 PolarHBondContact O-N 3.43Å; L447-N450 VanDerWaalsContact O-N 3.13Å; L447-E451 HydrophobicContact CD2-CG 4.14Å; L447-E451 WeakPolarHBondContact O-CG 3.46Å; L447-E451 PolarHBondContact O-N 3.24Å; L447-R491 HydrophobicContact CD2-CG 4.41Å; L447-L494 HydrophobicContact CG-CB 4.46Å; L447-E495 HydrophobicContact CD1-CG 3.79Å; L447-E495 HydrophobicContact CG-CG 4.37Å
448K90.1Very high90.6Very high46 Ų4638.5 Ų38.520%0.218%0.178CC..Hα-helixtrans-60.9-41.1173.2-71.3-50.9-168.1178.60113.5E444 M445 N450 E451 L452 L558E444-K448 PolarHBondContact O-N 3Å; M445-K448 PolarHBondContact O-N 3.28Å; K448-N450 VanDerWaalsContact C-N 3.28Å; K448-N450 PolarHBondContact O-N 3.41Å; K448-E451 WeakPolarHBondContact CD-OE2 3.4Å; K448-E451 IonicContact NZ-OE2 3.56Å; K448-E451 PolarHBondContact NZ-OE2 3.38Å; K448-E451 PolarHBondContact O-N 3.12Å; K448-L452 WeakPolarHBondContact O-CB 3.35Å; K448-L452 PolarHBondContact O-N 2.92Å; K448-L558 HydrophobicContact CB-CD1 3.87Å; K448-L558 HydrophobicContact CB-CD2 4.19Å
449E91.3Very high90.2Very high38 Ų3837.1 Ų37.118%0.17817%0.172CC..Hα-helixtrans-59.5-40.3173.2-170.6-143.4-164.900111.4M445 L447 K453 R490 L558M445-E449 WeakPolarHBondContact O-CB 3.14Å; M445-E449 PolarHBondContact O-N 2.79Å; L447-E449 PolarHBondContact O-N 3.08Å; E449-K453 HydrophobicContact CG-CD 4.2Å; E449-K453 WeakPolarHBondContact O-CB 3.4Å; E449-K453 VanDerWaalsContact O-CG 3.25Å; E449-K453 WeakPolarHBondContact O-CG 3.32Å; E449-K453 PolarHBondContact O-N 3.07Å; E449-K453 WeakPolarHBondContact OE1-CE 3.3Å; E449-K453 IonicContact OE1-NZ 3.7Å; E449-K453 PolarHBondContact OE1-NZ 3.37Å; E449-K453 IonicContact OE2-NZ 2.74Å; E449-R490 IonicContact OE2-CZ 2.74Å; E449-R490 IonicContact OE2-NH1 3.26Å; E449-R490 PolarHBondContact OE2-NH1 2.77Å; E449-R490 IonicContact OE2-NH2 3.77Å; E449-R490 PolarHBondContact OE2-NH2 3.04Å; E449-L558 HydrophobicContact CB-CD2 4.26Å
450N92.7Very high89.6Confident2 Ų235.3 Ų35.31%0.01117%0.166CC..Hα-helixtrans-68.2-47.2176.9-170.5-32000111.8L446 L447 K448 L452 K453 S454 L487 R491L446-N450 WeakPolarHBondContact O-CB 3.4Å; L446-N450 PolarHBondContact O-N 3.27Å; L446-N450 VanDerWaalsContact O-N 3.09Å; L447-N450 WeakPolarHBondContact O-CB 3.45Å; L447-N450 PolarHBondContact O-N 3.43Å; L447-N450 VanDerWaalsContact O-N 3.13Å; K448-N450 VanDerWaalsContact C-N 3.28Å; K448-N450 PolarHBondContact O-N 3.41Å; N450-L452 VanDerWaalsContact C-N 3.34Å; N450-L452 PolarHBondContact O-N 3.39Å; N450-K453 PolarHBondContact O-N 3.42Å; N450-S454 WeakPolarHBondContact O-CB 3.46Å; N450-S454 PolarHBondContact O-N 3.31Å; N450-L487 PolarHBondContact ND2-O 3.41Å; N450-L487 PolarHBondContact OD1-O 3.21Å; N450-R491 PolarHBondContact ND2-N 3.32Å
451E89.4Confident89.2Confident41 Ų4135.7 Ų35.719%0.19217%0.17CC..Hα-helixtrans-54.4-49.5175.1-70.8-178.8160.900111.3L447 K448 S454 F455 L635L447-E451 HydrophobicContact CD2-CG 4.14Å; L447-E451 WeakPolarHBondContact O-CG 3.46Å; L447-E451 PolarHBondContact O-N 3.24Å; K448-E451 WeakPolarHBondContact CD-OE2 3.4Å; K448-E451 IonicContact NZ-OE2 3.56Å; K448-E451 PolarHBondContact NZ-OE2 3.38Å; K448-E451 PolarHBondContact O-N 3.12Å; E451-S454 PolarHBondContact O-N 3.33Å; E451-F455 PolarHBondContact O-N 2.83Å; E451-L635 HydrophobicContact CB-CD2 4.05Å
452L89Confident88.8Confident2 Ų241.7 Ų41.71%0.0120%0.196CC..Hα-helixtrans-65.2-40.8-179.6-171.359000112.1K448 N450 F455 Y456 L558 L561 L635 M636K448-L452 WeakPolarHBondContact O-CB 3.35Å; K448-L452 PolarHBondContact O-N 2.92Å; N450-L452 VanDerWaalsContact C-N 3.34Å; N450-L452 PolarHBondContact O-N 3.39Å; L452-F455 PolarHBondContact O-N 2.92Å; L452-Y456 HydrophobicContact CD1-CD2 4.04Å; L452-Y456 HydrophobicContact CD1-CE2 3.37Å; L452-Y456 HydrophobicContact CD2-CE2 4.23Å; L452-Y456 HydrophobicContact CG-CD2 4Å; L452-Y456 HydrophobicContact CG-CE2 3.55Å; L452-Y456 WeakPolarHBondContact O-CD2 3.22Å; L452-Y456 PolarHBondContact O-N 3.05Å; L452-Y456 VanDerWaalsContact O-N 3.09Å; L452-L558 HydrophobicContact CD2-CD2 4.39Å; L452-L561 HydrophobicContact CB-CD2 4.37Å; L452-L561 HydrophobicContact CD2-CD2 3.64Å; L452-L561 HydrophobicContact CG-CD2 3.89Å; L452-L635 HydrophobicContact CD1-CD1 4.47Å; L452-M636 HydrophobicContact CD2-SD 3.92Å
453K90.1Very high88.2Confident71 Ų7140.8 Ų40.831%0.30919%0.193SC..Hα-helixtrans-64.6-37173.4-77.7174.3173.6178.70112.7E449 N450 Q457 L487 L561E449-K453 HydrophobicContact CG-CD 4.2Å; E449-K453 WeakPolarHBondContact O-CB 3.4Å; E449-K453 VanDerWaalsContact O-CG 3.25Å; E449-K453 WeakPolarHBondContact O-CG 3.32Å; E449-K453 PolarHBondContact O-N 3.07Å; E449-K453 WeakPolarHBondContact OE1-CE 3.3Å; E449-K453 IonicContact OE1-NZ 3.7Å; E449-K453 PolarHBondContact OE1-NZ 3.37Å; E449-K453 IonicContact OE2-NZ 2.74Å; N450-K453 PolarHBondContact O-N 3.42Å; K453-Q457 WeakPolarHBondContact O-CB 3.28Å; K453-Q457 WeakPolarHBondContact O-CG 3.47Å; K453-Q457 PolarHBondContact O-N 3.03Å; K453-Q457 VanDerWaalsContact O-N 3.11Å; K453-L487 HydrophobicContact CB-CD1 4.12Å; K453-L487 HydrophobicContact CB-CD2 4.35Å; K453-L561 HydrophobicContact CG-CD2 4.17Å
454S89.5Confident87.7Confident20 Ų2042.1 Ų42.114%0.1420%0.199CC..Hα-helixtrans-66.8-43.5174.8-175.30000111.1N450 E451 Q457 Q458N450-S454 WeakPolarHBondContact O-CB 3.46Å; N450-S454 PolarHBondContact O-N 3.31Å; E451-S454 PolarHBondContact O-N 3.33Å; S454-Q457 PolarHBondContact O-N 3.37Å; S454-Q458 WeakPolarHBondContact O-CG 3.49Å; S454-Q458 PolarHBondContact O-N 3.49Å
455F88.9Confident87.3Confident40 Ų4046.2 Ų46.218%0.17522%0.218CC..Hα-helixtrans-57.5-52177.1178-87.4000111.6E451 L452 Q457 Q458 Q459 P629 I632 L635E451-F455 PolarHBondContact O-N 2.83Å; L452-F455 PolarHBondContact O-N 2.92Å; F455-Q457 VanDerWaalsContact C-N 3.34Å; F455-Q457 PolarHBondContact O-N 3.41Å; F455-Q458 WeakPolarHBondContact O-CB 3.43Å; F455-Q458 PolarHBondContact O-N 3.12Å; F455-Q459 PolarHBondContact O-N 2.94Å; F455-P629 HydrophobicContact CD2-CB 4.46Å; F455-P629 HydrophobicContact CE2-CG 4.32Å; F455-I632 HydrophobicContact CD1-CD1 4.5Å; F455-I632 HydrophobicContact CD1-CG1 4.26Å; F455-I632 HydrophobicContact CE1-CD1 3.71Å; F455-I632 HydrophobicContact CE1-CG1 3.7Å; F455-I632 HydrophobicContact CZ-CD1 4.14Å; F455-I632 HydrophobicContact CZ-CG1 3.87Å; F455-L635 HydrophobicContact CB-CD1 4.18Å; F455-L635 HydrophobicContact CD2-CD1 4.31Å; F455-L635 HydrophobicContact CG-CD1 4.25Å
456Y87Confident86.7Confident18 Ų1851.5 Ų51.57%0.07125%0.245CC..Hα-helixtrans-66.1-33.4179.2-68.7-55.8000113.2L452 Q459 C460 Q565 I632L452-Y456 HydrophobicContact CD1-CD2 4.04Å; L452-Y456 HydrophobicContact CD1-CE2 3.37Å; L452-Y456 HydrophobicContact CD2-CE2 4.23Å; L452-Y456 HydrophobicContact CG-CD2 4Å; L452-Y456 HydrophobicContact CG-CE2 3.55Å; L452-Y456 WeakPolarHBondContact O-CD2 3.22Å; L452-Y456 PolarHBondContact O-N 3.05Å; L452-Y456 VanDerWaalsContact O-N 3.09Å; Y456-Q459 PolarHBondContact O-N 2.85Å; Y456-C460 PolarHBondContact O-N 3.3Å; Y456-C460 PolarHBondContact O-SG 3.42Å; Y456-Q565 HydrophobicContact CD1-CB 4.19Å; Y456-Q565 HydrophobicContact CD1-CG 4.48Å; Y456-Q565 HydrophobicContact CD2-CB 4.02Å; Y456-Q565 HydrophobicContact CD2-CG 3.59Å; Y456-Q565 HydrophobicContact CE1-CB 4.1Å; Y456-Q565 HydrophobicContact CE2-CB 3.87Å; Y456-Q565 HydrophobicContact CE2-CG 3.79Å; Y456-Q565 HydrophobicContact CG-CB 4.17Å; Y456-Q565 HydrophobicContact CG-CG 3.95Å; Y456-I632 HydrophobicContact CE1-CD1 4.4Å
457Q86.9Confident85.9Confident39 Ų3955.9 Ų55.918%0.18227%0.265CS..Hα-helixtrans-66.2-37.8173.5-75.5-17525.100112.7K453 S454 F455 C460 H461 L484K453-Q457 WeakPolarHBondContact O-CB 3.28Å; K453-Q457 WeakPolarHBondContact O-CG 3.47Å; K453-Q457 PolarHBondContact O-N 3.03Å; K453-Q457 VanDerWaalsContact O-N 3.11Å; S454-Q457 PolarHBondContact O-N 3.37Å; F455-Q457 VanDerWaalsContact C-N 3.34Å; F455-Q457 PolarHBondContact O-N 3.41Å; Q457-C460 PolarHBondContact O-N 3.16Å; Q457-H461 WeakPolarHBondContact O-CB 3.34Å; Q457-H461 PolarHBondContact O-N 3.41Å; Q457-L484 HydrophobicContact CB-CD1 4.36Å
458Q86Confident85.2Confident74 Ų7457.7 Ų57.735%0.34628%0.279SS..Hα-helixtrans-65.7-41.4172.5-70.2170-4.300111.7S454 F455 H461 K462 L484S454-Q458 WeakPolarHBondContact O-CG 3.49Å; S454-Q458 PolarHBondContact O-N 3.49Å; F455-Q458 WeakPolarHBondContact O-CB 3.43Å; F455-Q458 PolarHBondContact O-N 3.12Å; Q458-H461 WeakPolarHBondContact O-CB 3.36Å; Q458-H461 PolarHBondContact O-N 2.91Å; Q458-K462 PolarHBondContact O-N 3.35Å; Q458-L484 HydrophobicContact CG-CD1 3.76Å
459Q82.9Confident84.3Confident73 Ų7358.7 Ų58.734%0.34129%0.292SS..Hα-helixtrans-63-42.8176-167.2177.66.200111.6F455 Y456 H461 K462 Q463F455-Q459 PolarHBondContact O-N 2.94Å; Y456-Q459 PolarHBondContact O-N 2.85Å; Q459-H461 VanDerWaalsContact C-N 3.34Å; Q459-H461 PolarHBondContact O-N 3.15Å; Q459-K462 PolarHBondContact O-N 3.49Å; Q459-Q463 WeakPolarHBondContact O-CG 3.42Å; Q459-Q463 PolarHBondContact O-N 2.89Å
460C81.3Confident83.1Confident27 Ų2765 Ų6518%0.18232%0.321CS..Hα-helixtrans-63.4-35.9172-69.90000113.2Y456 Q457 Q463 I464Y456-C460 PolarHBondContact O-N 3.3Å; Y456-C460 PolarHBondContact O-SG 3.42Å; Q457-C460 PolarHBondContact O-N 3.16Å; C460-Q463 PolarHBondContact O-N 3.19Å; C460-I464 WeakPolarHBondContact O-CG1 3.32Å; C460-I464 PolarHBondContact O-N 3.15Å
461H83.1Confident81.8Confident48 Ų4871.5 Ų71.522%0.22236%0.356CS..Hα-helixtrans-62-51.5177.1-174.9118000109.8Q457 Q458 Q459 Q463 I464 E465 D481Q457-H461 WeakPolarHBondContact O-CB 3.34Å; Q457-H461 PolarHBondContact O-N 3.41Å; Q458-H461 WeakPolarHBondContact O-CB 3.36Å; Q458-H461 PolarHBondContact O-N 2.91Å; Q459-H461 VanDerWaalsContact C-N 3.34Å; Q459-H461 PolarHBondContact O-N 3.15Å; H461-Q463 VanDerWaalsContact C-N 3.3Å; H461-Q463 PolarHBondContact O-N 3.37Å; H461-I464 PolarHBondContact O-N 3.14Å; H461-I464 VanDerWaalsContact O-N 3.08Å; H461-E465 PolarHBondContact O-N 3.48Å; H461-D481 IonicContact CE1-OD1 2.61Å; H461-D481 PolarHBondContact CE1-OD1 3.31Å; H461-D481 IonicContact CE1-OD2 3.09Å; H461-D481 IonicContact ND1-OD1 2.75Å; H461-D481 PolarHBondContact ND1-OD1 2.97Å; H461-D481 IonicContact ND1-OD2 2.81Å
462K83.3Confident80.7Confident128 Ų12876.3 Ų76.356%0.55738%0.376SS*.Hα-helixtrans-56.9-39.9174.5-67-176.5177.3-170.90112.7Q458 Q459 I464 E465 M466Q458-K462 PolarHBondContact O-N 3.35Å; Q459-K462 PolarHBondContact O-N 3.49Å; K462-I464 VanDerWaalsContact C-N 3.35Å; K462-I464 PolarHBondContact O-N 3.27Å; K462-E465 PolarHBondContact O-N 3.4Å; K462-M466 WeakPolarHBondContact O-CE 3.27Å; K462-M466 WeakPolarHBondContact O-CG 3.47Å; K462-M466 PolarHBondContact O-N 2.96Å
463Q81.4Confident79.9Confident65 Ų6577.2 Ų77.230%0.30438%0.382SS..Hα-helixtrans-65.4-34.1176.6-75.3171.5-11.500113.5Q459 C460 H461 M466 M467Q459-Q463 WeakPolarHBondContact O-CG 3.42Å; Q459-Q463 PolarHBondContact O-N 2.89Å; C460-Q463 PolarHBondContact O-N 3.19Å; H461-Q463 VanDerWaalsContact C-N 3.3Å; H461-Q463 PolarHBondContact O-N 3.37Å; Q463-M466 HydrophobicContact CG-CE 4.27Å; Q463-M467 WeakPolarHBondContact O-CB 3.39Å; Q463-M467 VanDerWaalsContact O-CG 3.26Å; Q463-M467 WeakPolarHBondContact O-CG 3.38Å; Q463-M467 PolarHBondContact O-N 2.89Å
464I81.6Confident78.9Confident31 Ų3181.3 Ų81.316%0.15940%0.402CS..Hα-helixtrans-72.5-43.3176.2-70.9163.2000110.4C460 H461 K462 M466 M467 C468 A476 T477C460-I464 WeakPolarHBondContact O-CG1 3.32Å; C460-I464 PolarHBondContact O-N 3.15Å; H461-I464 PolarHBondContact O-N 3.14Å; H461-I464 VanDerWaalsContact O-N 3.08Å; K462-I464 VanDerWaalsContact C-N 3.35Å; K462-I464 PolarHBondContact O-N 3.27Å; I464-M466 VanDerWaalsContact C-N 3.32Å; I464-M466 PolarHBondContact O-N 3Å; I464-M467 PolarHBondContact O-N 3.08Å; I464-M467 VanDerWaalsContact O-N 3.11Å; I464-C468 WeakPolarHBondContact O-CB 3.45Å; I464-C468 PolarHBondContact O-N 3.29Å; I464-A476 HydrophobicContact CG2-CB 3.73Å; I464-T477 HydrophobicContact CG2-CG2 4.3Å
465E81.3Confident78Confident116 Ų11689 Ų8954%0.54243%0.433SS..Hα-helixtrans-56.4-42.4174.8-172.9177.9-158.900111.9H461 K462 M467H461-E465 PolarHBondContact O-N 3.48Å; K462-E465 PolarHBondContact O-N 3.4Å; E465-M467 VanDerWaalsContact C-N 3.33Å; E465-M467 PolarHBondContact O-N 3.15Å
466M79.9Confident77Confident147 Ų14789 Ų8972%0.72444%0.44SS*.Hα-helixtrans-72-18.7176-69.2-176.4-6300115K462 Q463 I464K462-M466 WeakPolarHBondContact O-CE 3.27Å; K462-M466 WeakPolarHBondContact O-CG 3.47Å; K462-M466 PolarHBondContact O-N 2.96Å; Q463-M466 HydrophobicContact CG-CE 4.27Å; I464-M466 VanDerWaalsContact C-N 3.32Å; I464-M466 PolarHBondContact O-N 3Å
467M76.4Confident76.5Confident134 Ų13488.6 Ų88.666%0.6644%0.44SS*.Hα-helixtrans-111.2-14.8-171.6-72.8-65.1-56.700114.6Q463 I464 E465 L576Q463-M467 WeakPolarHBondContact O-CB 3.39Å; Q463-M467 VanDerWaalsContact O-CG 3.26Å; Q463-M467 WeakPolarHBondContact O-CG 3.38Å; Q463-M467 PolarHBondContact O-N 2.89Å; I464-M467 PolarHBondContact O-N 3.08Å; I464-M467 VanDerWaalsContact O-N 3.11Å; E465-M467 VanDerWaalsContact C-N 3.33Å; E465-M467 PolarHBondContact O-N 3.15Å; M467-L576 HydrophobicContact CE-CD2 4.4Å
468C76.2Confident76.1Confident51 Ų5188.6 Ų88.635%0.34545%0.45SS..SBendtrans-118.3144.2-174.7-66.80000111.5I464 K472 V473I464-C468 WeakPolarHBondContact O-CB 3.45Å; I464-C468 PolarHBondContact O-N 3.29Å; C468-K472 HydrophobicContact CB-CB 4.44Å; C468-V473 HydrophobicContact CB-CG2 3.7Å; C468-V473 VanDerWaalsContact O-CG2 3.25Å; C468-V473 WeakPolarHBondContact O-CG2 3.41Å
469S71.9Confident75.7Confident68 Ų6893.3 Ų93.348%0.47647%0.469SS..  trans-63.6144.9168.456.20000111.2D471 K472 V473S469-D471 PolarHBondContact O-N 2.68Å; S469-D471 VanDerWaalsContact O-N 3.14Å; S469-K472 WeakPolarHBondContact O-CA 3.41Å; S469-K472 WeakPolarHBondContact O-CB 3.35Å; S469-K472 PolarHBondContact O-N 3.47Å; S469-V473 PolarHBondContact O-N 3Å; S469-V473 VanDerWaalsContact O-N 3.12Å
470E66.9Low75.5Confident171 Ų17193.8 Ų93.880%0.79947%0.468SS*.Hα-helixtrans-43.6-51.2-173.9-62.9179.9160.100113.9K472 V473E470-K472 PolarHBondContact O-N 3.32Å; E470-V473 WeakPolarHBondContact O-CB 3.39Å; E470-V473 PolarHBondContact O-N 3.16Å
471D64.6Low75.6Confident138 Ų13895.4 Ų95.474%0.73848%0.475SS*.Hα-helixtrans-55.5-21.9177.1-68.8-20.2000115.8S469S469-D471 PolarHBondContact O-N 2.68Å; S469-D471 VanDerWaalsContact O-N 3.14Å
472K66.8Low75.8Confident141 Ų14199.1 Ų99.161%0.61349%0.492SS*.Hα-helixtrans-102-22178-66.6178.6-177168.60112.1C468 S469 E470 A476C468-K472 HydrophobicContact CB-CB 4.44Å; S469-K472 WeakPolarHBondContact O-CA 3.41Å; S469-K472 WeakPolarHBondContact O-CB 3.35Å; S469-K472 PolarHBondContact O-N 3.47Å; E470-K472 PolarHBondContact O-N 3.32Å; K472-A476 WeakPolarHBondContact O-CB 3.35Å; K472-A476 PolarHBondContact O-N 3.25Å
473V71.3Confident75.9Confident22 Ų22100 Ų10013%0.13349%0.492CS..Hα-helixtrans-61.5-54.9177175.20000109.6C468 S469 E470 K475 A476 T477C468-V473 HydrophobicContact CB-CG2 3.7Å; C468-V473 VanDerWaalsContact O-CG2 3.25Å; C468-V473 WeakPolarHBondContact O-CG2 3.41Å; S469-V473 PolarHBondContact O-N 3Å; S469-V473 VanDerWaalsContact O-N 3.12Å; E470-V473 WeakPolarHBondContact O-CB 3.39Å; E470-V473 PolarHBondContact O-N 3.16Å; V473-K475 VanDerWaalsContact C-N 3.28Å; V473-K475 PolarHBondContact O-N 2.98Å; V473-K475 VanDerWaalsContact O-N 3.15Å; V473-A476 CarbonylContact O-C 3.54Å; V473-A476 WeakPolarHBondContact O-CA 3.46Å; V473-A476 PolarHBondContact O-N 3.01Å; V473-T477 HydrophobicContact CG1-CG2 3.61Å; V473-T477 WeakPolarHBondContact O-CG2 3.46Å; V473-T477 PolarHBondContact O-N 3.4Å; V473-T477 PolarHBondContact O-OG1 3.29Å
474E69.8Low76.2Confident157 Ų15798.2 Ų98.273%0.73448%0.484SS*.Hα-helixtrans-53.4-42.3-177.2-65.5-166.6146.200113.6A476 T477 G478E474-A476 VanDerWaalsContact C-N 3.34Å; E474-A476 PolarHBondContact O-N 2.96Å; E474-T477 WeakPolarHBondContact CA-OG1 3.42Å; E474-T477 PolarHBondContact O-OG1 2.89Å; E474-G478 PolarHBondContact O-N 3.17Å; E474-G478 VanDerWaalsContact O-N 3.08Å
475K71.1Confident76.5Confident180 Ų18099.1 Ų99.178%0.78350%0.496SS*.Hα-helixtrans-71.4-27.9178.5-70.4174.1-178.3163.90112.7V473V473-K475 VanDerWaalsContact C-N 3.28Å; V473-K475 PolarHBondContact O-N 2.98Å; V473-K475 VanDerWaalsContact O-N 3.15Å
476A67.6Low76.9Confident40 Ų4099.1 Ų99.133%0.33150%0.498SS..Hα-helixtrans-85.5-34.9177.700000112.8I464 K472 V473 E474I464-A476 HydrophobicContact CG2-CB 3.73Å; K472-A476 WeakPolarHBondContact O-CB 3.35Å; K472-A476 PolarHBondContact O-N 3.25Å; V473-A476 CarbonylContact O-C 3.54Å; V473-A476 WeakPolarHBondContact O-CA 3.46Å; V473-A476 PolarHBondContact O-N 3.01Å; E474-A476 VanDerWaalsContact C-N 3.34Å; E474-A476 PolarHBondContact O-N 2.96Å
477T76.8Confident77.4Confident11 Ų1193 Ų937%0.06747%0.468CS..Hα-helixtrans-79.9-37.8-179550000112.5I464 V473 E474 K479 R480 D481I464-T477 HydrophobicContact CG2-CG2 4.3Å; V473-T477 HydrophobicContact CG1-CG2 3.61Å; V473-T477 WeakPolarHBondContact O-CG2 3.46Å; V473-T477 PolarHBondContact O-N 3.4Å; V473-T477 PolarHBondContact O-OG1 3.29Å; E474-T477 WeakPolarHBondContact CA-OG1 3.42Å; E474-T477 PolarHBondContact O-OG1 2.89Å; T477-K479 VanDerWaalsContact C-N 3.26Å; T477-K479 PolarHBondContact O-N 3.28Å; T477-R480 CarbonylContact O-C 3.52Å; T477-R480 VanDerWaalsContact O-CA 3.32Å; T477-R480 WeakPolarHBondContact O-CA 3.41Å; T477-R480 WeakPolarHBondContact O-CB 3.48Å; T477-R480 PolarHBondContact O-N 3.37Å; T477-D481 WeakPolarHBondContact CB-OD2 3.48Å; T477-D481 PolarHBondContact O-N 3.01Å
478G77.1Confident78.1Confident38 Ų3892.8 Ų92.839%0.39246%0.463SS..Hα-helixtrans-53.7-35-174.800000115.4E474 R480 H482E474-G478 PolarHBondContact O-N 3.17Å; E474-G478 VanDerWaalsContact O-N 3.08Å; G478-R480 VanDerWaalsContact C-N 3.33Å; G478-R480 PolarHBondContact O-N 2.92Å; G478-H482 WeakPolarHBondContact O-CB 3.39Å; G478-H482 PolarHBondContact O-N 3.18Å; G478-H482 VanDerWaalsContact O-N 3.14Å
479K78.5Confident78.9Confident173 Ų17395.4 Ų95.475%0.75248%0.477SS*.Hα-helixtrans-68.3-28.5173.3-74.3-176.9-179.9175.10113.6T477 R483T477-K479 VanDerWaalsContact C-N 3.26Å; T477-K479 PolarHBondContact O-N 3.28Å; K479-R483 WeakPolarHBondContact O-CG 3.48Å
480R79.1Confident79.9Confident84 Ų8496.6 Ų96.632%0.31747%0.472SS..Hα-helixtrans-84.5-37174.7-78-170.8151.982-3.4111.9T477 G478 H482 R483 L484T477-R480 CarbonylContact O-C 3.52Å; T477-R480 VanDerWaalsContact O-CA 3.32Å; T477-R480 WeakPolarHBondContact O-CA 3.41Å; T477-R480 WeakPolarHBondContact O-CB 3.48Å; T477-R480 PolarHBondContact O-N 3.37Å; G478-R480 VanDerWaalsContact C-N 3.33Å; G478-R480 PolarHBondContact O-N 2.92Å; R480-H482 VanDerWaalsContact C-N 3.31Å; R480-H482 PolarHBondContact O-N 3.46Å; R480-R483 CarbonylContact O-C 3.54Å; R480-R483 WeakPolarHBondContact O-CA 3.37Å; R480-R483 WeakPolarHBondContact O-CB 3.47Å; R480-R483 PolarHBondContact O-N 2.97Å; R480-L484 PolarHBondContact O-N 3.38Å
481D83.6Confident81Confident61 Ų6193.4 Ų93.433%0.32645%0.452SS..Hα-helixtrans-68-36-179.8-57-27.6000111.2H461 T477 R483 L484 A485H461-D481 IonicContact CE1-OD1 2.61Å; H461-D481 PolarHBondContact CE1-OD1 3.31Å; H461-D481 IonicContact CE1-OD2 3.09Å; H461-D481 IonicContact ND1-OD1 2.75Å; H461-D481 PolarHBondContact ND1-OD1 2.97Å; H461-D481 IonicContact ND1-OD2 2.81Å; T477-D481 WeakPolarHBondContact CB-OD2 3.48Å; T477-D481 PolarHBondContact O-N 3.01Å; D481-R483 PolarHBondContact O-N 3.19Å; D481-L484 PolarHBondContact O-N 3.32Å; D481-A485 WeakPolarHBondContact O-CB 3.34Å; D481-A485 PolarHBondContact O-N 3.01Å
482H86.3Confident82.4Confident125 Ų12590.7 Ų90.758%0.57944%0.443SS*.Hα-helixtrans-59-43.2166.9-17674.4000112.7G478 R480 A485 M486G478-H482 WeakPolarHBondContact O-CB 3.39Å; G478-H482 PolarHBondContact O-N 3.18Å; G478-H482 VanDerWaalsContact O-N 3.14Å; R480-H482 VanDerWaalsContact C-N 3.31Å; R480-H482 PolarHBondContact O-N 3.46Å; H482-A485 PolarHBondContact O-N 3.4Å; H482-M486 WeakPolarHBondContact O-CG 3.37Å; H482-M486 PolarHBondContact O-N 3.01Å
483R85.3Confident83.6Confident146 Ų14690.5 Ų90.555%0.55144%0.44SS*.Hα-helixtrans-66.9-37.6176-70.6175.1177.4-159-1.1112.2K479 R480 D481 A485 M486 L487K479-R483 WeakPolarHBondContact O-CG 3.48Å; R480-R483 CarbonylContact O-C 3.54Å; R480-R483 WeakPolarHBondContact O-CA 3.37Å; R480-R483 WeakPolarHBondContact O-CB 3.47Å; R480-R483 PolarHBondContact O-N 2.97Å; D481-R483 PolarHBondContact O-N 3.19Å; R483-A485 VanDerWaalsContact C-N 3.35Å; R483-M486 PolarHBondContact O-N 3.17Å; R483-L487 WeakPolarHBondContact O-CG 3.49Å; R483-L487 PolarHBondContact O-N 3.41Å
484L87.6Confident84.7Confident29 Ų2989.8 Ų89.815%0.15244%0.435CS..Hα-helixtrans-63.8-41.6174.9-162.888.1000110.9Q457 Q458 R480 D481 L487 K488Q457-L484 HydrophobicContact CB-CD1 4.36Å; Q458-L484 HydrophobicContact CG-CD1 3.76Å; R480-L484 PolarHBondContact O-N 3.38Å; D481-L484 PolarHBondContact O-N 3.32Å; L484-L487 PolarHBondContact O-N 2.98Å; L484-K488 WeakPolarHBondContact O-CG 3.46Å; L484-K488 PolarHBondContact O-N 2.63Å
485A88.3Confident85.7Confident49 Ų4985.7 Ų85.741%0.40542%0.416SS..Hα-helixtrans-61.5-46.9173.400000111.7D481 H482 R483 L487 K488 T489D481-A485 WeakPolarHBondContact O-CB 3.34Å; D481-A485 PolarHBondContact O-N 3.01Å; H482-A485 PolarHBondContact O-N 3.4Å; R483-A485 VanDerWaalsContact C-N 3.35Å; A485-L487 VanDerWaalsContact C-N 3.33Å; A485-L487 PolarHBondContact O-N 3.04Å; A485-K488 WeakPolarHBondContact O-CB 3.46Å; A485-K488 PolarHBondContact O-N 2.9Å; A485-T489 PolarHBondContact O-N 2.92Å; A485-T489 PolarHBondContact O-OG1 3.23Å
486M90.1Very high86.8Confident117 Ų11783.3 Ų83.358%0.57641%0.406SS*.Hα-helixtrans-58.4-41.7174.1-70.7-175.975.600112.7H482 R483 T489 R490H482-M486 WeakPolarHBondContact O-CG 3.37Å; H482-M486 PolarHBondContact O-N 3.01Å; R483-M486 PolarHBondContact O-N 3.17Å; M486-T489 PolarHBondContact O-N 3.33Å; M486-R490 WeakPolarHBondContact O-CB 3.4Å; M486-R490 PolarHBondContact O-N 3.48Å
487L90.8Very high88.1Confident18 Ų1884.7 Ų84.79%0.09440%0.402CS..Hα-helixtrans-64.1-42.9177-75.6174.9000111.8N450 K453 R483 L484 A485 R490 R491N450-L487 PolarHBondContact ND2-O 3.41Å; N450-L487 PolarHBondContact OD1-O 3.21Å; K453-L487 HydrophobicContact CB-CD1 4.12Å; K453-L487 HydrophobicContact CB-CD2 4.35Å; R483-L487 WeakPolarHBondContact O-CG 3.49Å; R483-L487 PolarHBondContact O-N 3.41Å; L484-L487 PolarHBondContact O-N 2.98Å; A485-L487 VanDerWaalsContact C-N 3.33Å; A485-L487 PolarHBondContact O-N 3.04Å; L487-R490 PolarHBondContact O-N 3.35Å; L487-R491 WeakPolarHBondContact O-CB 3.3Å; L487-R491 PolarHBondContact O-N 2.81Å
488K91.2Very high88.8Confident130 Ų13088.2 Ų88.257%0.56541%0.414SS*.Hα-helixtrans-58.6-46.9173.4-73.1175.1179.4-178.10112L484 A485 R491 C492L484-K488 WeakPolarHBondContact O-CG 3.46Å; L484-K488 PolarHBondContact O-N 2.63Å; A485-K488 WeakPolarHBondContact O-CB 3.46Å; A485-K488 PolarHBondContact O-N 2.9Å; K488-R491 WeakPolarHBondContact O-CB 3.39Å; K488-R491 PolarHBondContact O-N 3.13Å; K488-C492 PolarHBondContact O-N 2.97Å; K488-C492 VanDerWaalsContact O-N 3.12Å
489T92.4Very high89.5Confident105 Ų10591.2 Ų91.264%0.64442%0.418SS*.Hα-helixtrans-63-43.8175.9-52.60000111.8A485 M486 R491 C492 Y493A485-T489 PolarHBondContact O-N 2.92Å; A485-T489 PolarHBondContact O-OG1 3.23Å; M486-T489 PolarHBondContact O-N 3.33Å; T489-R491 VanDerWaalsContact C-N 3.29Å; T489-R491 PolarHBondContact O-N 3.27Å; T489-C492 PolarHBondContact O-N 3.15Å; T489-Y493 PolarHBondContact O-N 2.85Å
490R92.4Very high90.2Very high94 Ų9486.8 Ų86.836%0.35540%0.4SS..Hα-helixtrans-61.6-36.9175.6-175.9-175.3-176.3-132.74.8111.7E449 M486 L487 L494E449-R490 IonicContact OE2-CZ 2.74Å; E449-R490 IonicContact OE2-NH1 3.26Å; E449-R490 PolarHBondContact OE2-NH1 2.77Å; E449-R490 IonicContact OE2-NH2 3.77Å; E449-R490 PolarHBondContact OE2-NH2 3.04Å; M486-R490 WeakPolarHBondContact O-CB 3.4Å; M486-R490 PolarHBondContact O-N 3.48Å; L487-R490 PolarHBondContact O-N 3.35Å; R490-L494 HydrophobicContact CG-CD1 4.07Å; R490-L494 VanDerWaalsContact O-CG 3.28Å; R490-L494 WeakPolarHBondContact O-CG 3.37Å; R490-L494 PolarHBondContact O-N 3.19Å
491R91.3Very high90.8Very high103 Ų10383.8 Ų83.839%0.38939%0.39SS..Hα-helixtrans-64-52178.1177.5-178.4162.2167.42.5111L447 N450 L487 K488 T489 Y493 L494 E495L447-R491 HydrophobicContact CD2-CG 4.41Å; N450-R491 PolarHBondContact ND2-N 3.32Å; L487-R491 WeakPolarHBondContact O-CB 3.3Å; L487-R491 PolarHBondContact O-N 2.81Å; K488-R491 WeakPolarHBondContact O-CB 3.39Å; K488-R491 PolarHBondContact O-N 3.13Å; T489-R491 VanDerWaalsContact C-N 3.29Å; T489-R491 PolarHBondContact O-N 3.27Å; R491-Y493 VanDerWaalsContact C-N 3.28Å; R491-Y493 PolarHBondContact O-N 3.08Å; R491-L494 PolarHBondContact O-N 3.35Å; R491-E495 HydrophobicContact CG-CG 4.32Å; R491-E495 IonicContact CZ-OE1 3.84Å; R491-E495 IonicContact NE-OE1 4Å; R491-E495 PolarHBondContact NE-OE1 3.04Å; R491-E495 IonicContact NE-OE2 2.82Å; R491-E495 IonicContact NH2-OE1 3.95Å; R491-E495 PolarHBondContact NH2-OE1 3.35Å; R491-E495 WeakPolarHBondContact O-CG 3.31Å; R491-E495 PolarHBondContact O-N 2.86Å
492C92.4Very high91.2Very high82 Ų8284.3 Ų84.355%0.55439%0.392SS*.Hα-helixtrans-56.6-40.7177.7177.10000112.4K488 T489 K496K488-C492 PolarHBondContact O-N 2.97Å; K488-C492 VanDerWaalsContact O-N 3.12Å; T489-C492 PolarHBondContact O-N 3.15Å; C492-K496 WeakPolarHBondContact O-CB 3.5Å; C492-K496 PolarHBondContact O-N 3.03Å
493Y93.7Very high91.5Very high136 Ų13683.5 Ų83.553%0.53339%0.387SS..Hα-helixtrans-63-43.2173.7171.8-97.7000113.3T489 R491 R497T489-Y493 PolarHBondContact O-N 2.85Å; R491-Y493 VanDerWaalsContact C-N 3.28Å; R491-Y493 PolarHBondContact O-N 3.08Å; Y493-R497 HydrophobicContact CE1-CG 4.48Å; Y493-R497 HydrophobicContact CE2-CG 4.33Å; Y493-R497 PolarHBondContact O-N 3.29Å; Y493-R497 VanDerWaalsContact O-N 3.08Å; Y493-R497 VanDerWaalsContact OH-CD 3.32Å; Y493-R497 WeakPolarHBondContact OH-CD 3.49Å
494L93.5Very high91.8Very high8 Ų880.8 Ų80.84%0.04238%0.381CS..Hα-helixtrans-68.7-39.3178.1-70.6169.2000112.1L443 L446 L447 R490 R491 R497 R498L443-L494 HydrophobicContact CD2-CD2 3.78Å; L446-L494 HydrophobicContact CB-CD1 4.05Å; L446-L494 HydrophobicContact CB-CD2 4.12Å; L446-L494 HydrophobicContact CD1-CD2 4.33Å; L447-L494 HydrophobicContact CG-CB 4.46Å; R490-L494 HydrophobicContact CG-CD1 4.07Å; R490-L494 VanDerWaalsContact O-CG 3.28Å; R490-L494 WeakPolarHBondContact O-CG 3.37Å; R490-L494 PolarHBondContact O-N 3.19Å; R491-L494 PolarHBondContact O-N 3.35Å; L494-R497 PolarHBondContact O-N 3.45Å; L494-R498 WeakPolarHBondContact O-CB 3.46Å; L494-R498 PolarHBondContact O-N 2.92Å
495E91.8Very high91.9Very high71 Ų7180.7 Ų80.733%0.33238%0.379SS..Hα-helixtrans-59.9-49.3174.5-76.7169155.800111L447 R491 R497 R498 E499L447-E495 HydrophobicContact CD1-CG 3.79Å; L447-E495 HydrophobicContact CG-CG 4.37Å; R491-E495 HydrophobicContact CG-CG 4.32Å; R491-E495 IonicContact CZ-OE1 3.84Å; R491-E495 IonicContact NE-OE1 4Å; R491-E495 PolarHBondContact NE-OE1 3.04Å; R491-E495 IonicContact NE-OE2 2.82Å; R491-E495 IonicContact NH2-OE1 3.95Å; R491-E495 PolarHBondContact NH2-OE1 3.35Å; R491-E495 WeakPolarHBondContact O-CG 3.31Å; R491-E495 PolarHBondContact O-N 2.86Å; E495-R497 PolarHBondContact O-N 3.04Å; E495-R498 PolarHBondContact O-N 3.22Å; E495-E499 PolarHBondContact O-N 3.28Å; E495-E499 VanDerWaalsContact O-N 3.07Å
496K93.7Very high92.1Very high129 Ų12982.1 Ų82.156%0.56138%0.38SS*.Hα-helixtrans-59-46.5176.5-176.3177.9176.6-1750112.2C492 R498 E499 E500C492-K496 WeakPolarHBondContact O-CB 3.5Å; C492-K496 PolarHBondContact O-N 3.03Å; K496-R498 VanDerWaalsContact C-N 3.35Å; K496-R498 PolarHBondContact O-N 3.36Å; K496-E499 WeakPolarHBondContact O-CB 3.41Å; K496-E499 PolarHBondContact O-N 2.86Å; K496-E500 WeakPolarHBondContact CE-OE1 3.47Å; K496-E500 IonicContact NZ-OE1 2.8Å; K496-E500 WeakPolarHBondContact O-CG 3.4Å; K496-E500 PolarHBondContact O-N 3.21Å
497R93.7Very high92.2Very high70 Ų7082.4 Ų82.426%0.26438%0.38SS..Hα-helixtrans-63.4-38.8177.1-80.9-157.761.8-163.6-9.4112.8L443 Y493 L494 E495 E499 E500 E501L443-R497 HydrophobicContact CD1-CB 3.93Å; L443-R497 HydrophobicContact CD2-CB 4.14Å; Y493-R497 HydrophobicContact CE1-CG 4.48Å; Y493-R497 HydrophobicContact CE2-CG 4.33Å; Y493-R497 PolarHBondContact O-N 3.29Å; Y493-R497 VanDerWaalsContact O-N 3.08Å; Y493-R497 VanDerWaalsContact OH-CD 3.32Å; Y493-R497 WeakPolarHBondContact OH-CD 3.49Å; L494-R497 PolarHBondContact O-N 3.45Å; E495-R497 PolarHBondContact O-N 3.04Å; R497-E499 VanDerWaalsContact C-N 3.26Å; R497-E499 PolarHBondContact O-N 3.49Å; R497-E500 WeakPolarHBondContact O-CB 3.38Å; R497-E500 PolarHBondContact O-N 3.41Å; R497-E500 VanDerWaalsContact O-N 3.16Å; R497-E501 IonicContact NH2-OE1 2.58Å; R497-E501 PolarHBondContact NH2-OE1 3.25Å; R497-E501 VanDerWaalsContact NH2-OE1 3.15Å; R497-E501 WeakPolarHBondContact O-CG 3.44Å; R497-E501 PolarHBondContact O-N 2.93Å
498R92.9Very high92.3Very high84 Ų8482 Ų8232%0.31738%0.377SS..Hα-helixtrans-61.9-35.6176-178.4-179.9177.9-123.811.9111.7Y440 E444 L494 E495 K496 L502Y440-R498 HydrophobicContact CD2-CG 4.12Å; Y440-R498 HydrophobicContact CE2-CG 3.68Å; Y440-R498 PolarHBondContact OH-NE 2.92Å; Y440-R498 PolarHBondContact OH-NH2 3.3Å; E444-R498 IonicContact OE1-CZ 2.72Å; E444-R498 IonicContact OE1-NE 3.13Å; E444-R498 IonicContact OE1-NH2 2.99Å; E444-R498 PolarHBondContact OE1-NH2 2.69Å; L494-R498 WeakPolarHBondContact O-CB 3.46Å; L494-R498 PolarHBondContact O-N 2.92Å; E495-R498 PolarHBondContact O-N 3.22Å; K496-R498 VanDerWaalsContact C-N 3.35Å; K496-R498 PolarHBondContact O-N 3.36Å; R498-L502 WeakPolarHBondContact O-CB 3.39Å; R498-L502 PolarHBondContact O-N 2.91Å
499E91.8Very high92.3Very high101 Ų10177 Ų7747%0.47236%0.358SS..Hα-helixtrans-69.1-37.5174-159.8-163.5143.100112.3E495 K496 R497 L502 K503E495-E499 PolarHBondContact O-N 3.28Å; E495-E499 VanDerWaalsContact O-N 3.07Å; K496-E499 WeakPolarHBondContact O-CB 3.41Å; K496-E499 PolarHBondContact O-N 2.86Å; R497-E499 VanDerWaalsContact C-N 3.26Å; R497-E499 PolarHBondContact O-N 3.49Å; E499-L502 PolarHBondContact O-N 3.27Å; E499-K503 WeakPolarHBondContact O-CG 3.25Å; E499-K503 PolarHBondContact O-N 3.22Å; E499-K503 VanDerWaalsContact O-N 3.11Å; E499-K503 WeakPolarHBondContact OE1-CE 3.45Å; E499-K503 IonicContact OE1-NZ 2.65Å; E499-K503 PolarHBondContact OE1-NZ 2.85Å
500E93.1Very high92.3Very high81 Ų8176.2 Ų76.238%0.37935%0.35SS..Hα-helixtrans-64.2-45.2174.5-69.5166175.600111.9K496 R497 L502 K503 Q504K496-E500 WeakPolarHBondContact CE-OE1 3.47Å; K496-E500 IonicContact NZ-OE1 2.8Å; K496-E500 WeakPolarHBondContact O-CG 3.4Å; K496-E500 PolarHBondContact O-N 3.21Å; R497-E500 WeakPolarHBondContact O-CB 3.38Å; R497-E500 PolarHBondContact O-N 3.41Å; R497-E500 VanDerWaalsContact O-N 3.16Å; E500-L502 VanDerWaalsContact C-N 3.35Å; E500-K503 PolarHBondContact O-N 2.97Å; E500-Q504 PolarHBondContact O-N 3.15Å
501E91.4Very high92.2Very high21 Ų2178.8 Ų78.810%0.09836%0.36CS..Hα-helixtrans-67.1-34.1175-54.5-54.6161.200112.2I436 Y440 L443 R497 Q504 F505I436-E501 WeakPolarHBondContact CG2-O 3.31Å; Y440-E501 HydrophobicContact CD2-CB 4.48Å; L443-E501 HydrophobicContact CD1-CG 3.52Å; R497-E501 IonicContact NH2-OE1 2.58Å; R497-E501 PolarHBondContact NH2-OE1 3.25Å; R497-E501 VanDerWaalsContact NH2-OE1 3.15Å; R497-E501 WeakPolarHBondContact O-CG 3.44Å; R497-E501 PolarHBondContact O-N 2.93Å; E501-Q504 PolarHBondContact O-N 2.61Å; E501-F505 PolarHBondContact O-N 3.09Å
502L90.9Very high92.1Very high71 Ų7174.4 Ų74.437%0.37234%0.344SS..Hα-helixtrans-63.8-42.8177.1-173.464.8000111.4Y440 R498 E499 E500 Q504 F505 D506Y440-L502 HydrophobicContact CE2-CB 4.32Å; Y440-L502 HydrophobicContact CE2-CD1 4.14Å; R498-L502 WeakPolarHBondContact O-CB 3.39Å; R498-L502 PolarHBondContact O-N 2.91Å; E499-L502 PolarHBondContact O-N 3.27Å; E500-L502 VanDerWaalsContact C-N 3.35Å; L502-Q504 VanDerWaalsContact C-N 3.34Å; L502-Q504 PolarHBondContact O-N 3.34Å; L502-F505 WeakPolarHBondContact O-CB 3.47Å; L502-F505 PolarHBondContact O-N 2.93Å; L502-F505 VanDerWaalsContact O-N 3.1Å; L502-D506 PolarHBondContact O-N 3.41Å
503K92.9Very high92Very high109 Ų10975.1 Ų75.147%0.47434%0.339SS..Hα-helixtrans-60.7-41.8174.8-74.3163.5175.4166.50112.1E499 E500 F505 D506 E507E499-K503 WeakPolarHBondContact O-CG 3.25Å; E499-K503 PolarHBondContact O-N 3.22Å; E499-K503 VanDerWaalsContact O-N 3.11Å; E499-K503 WeakPolarHBondContact OE1-CE 3.45Å; E499-K503 IonicContact OE1-NZ 2.65Å; E499-K503 PolarHBondContact OE1-NZ 2.85Å; E500-K503 PolarHBondContact O-N 2.97Å; K503-F505 VanDerWaalsContact C-N 3.32Å; K503-F505 PolarHBondContact O-N 3.07Å; K503-D506 PolarHBondContact O-N 3Å; K503-E507 WeakPolarHBondContact O-CG 3.28Å; K503-E507 PolarHBondContact O-N 3.22Å
504Q91.4Very high91.8Very high89 Ų8974 Ų7442%0.41633%0.334SS..Hα-helixtrans-63.6-37.2173.4-6817948.400112.2I436 E500 E501 L502 E507 N508I436-Q504 HydrophobicContact CD1-CB 4.22Å; I436-Q504 HydrophobicContact CG1-CB 4.5Å; I436-Q504 HydrophobicContact CG2-CB 4.37Å; E500-Q504 PolarHBondContact O-N 3.15Å; E501-Q504 PolarHBondContact O-N 2.61Å; L502-Q504 VanDerWaalsContact C-N 3.34Å; L502-Q504 PolarHBondContact O-N 3.34Å; Q504-E507 PolarHBondContact O-N 2.91Å; Q504-N508 WeakPolarHBondContact O-CB 3.42Å; Q504-N508 PolarHBondContact O-N 2.94Å
505F91.2Very high91.5Very high26 Ų2674 Ų7411%0.11433%0.334CS..Hα-helixtrans-66.5-37.8175.6-171.4-99.2000112.3R433 I436 R437 E501 L502 K503 T509R433-F505 HydrophobicContact CG-CD2 4.41Å; R433-F505 HydrophobicContact CG-CE2 3.8Å; R433-F505 VanDerWaalsContact CZ-CZ 3.48Å; I436-F505 HydrophobicContact CG2-CB 3.82Å; I436-F505 HydrophobicContact CG2-CD2 4.19Å; R437-F505 HydrophobicContact CG-CD2 4.04Å; R437-F505 HydrophobicContact CG-CE2 3.57Å; R437-F505 HydrophobicContact CG-CZ 4.42Å; R437-F505 VanDerWaalsContact NE-CE2 3.31Å; E501-F505 PolarHBondContact O-N 3.09Å; L502-F505 WeakPolarHBondContact O-CB 3.47Å; L502-F505 PolarHBondContact O-N 2.93Å; L502-F505 VanDerWaalsContact O-N 3.1Å; K503-F505 VanDerWaalsContact C-N 3.32Å; K503-F505 PolarHBondContact O-N 3.07Å; F505-T509 VanDerWaalsContact O-CB 3.31Å; F505-T509 WeakPolarHBondContact O-CB 3.4Å; F505-T509 PolarHBondContact O-N 3.33Å; F505-T509 PolarHBondContact O-OG1 2.94Å
506D90.9Very high91.2Very high79 Ų7973.2 Ų73.242%0.42233%0.33SS..Hα-helixtrans-68.7-41.8175-67-25.4000111.3L502 K503 T509 N510L502-D506 PolarHBondContact O-N 3.41Å; K503-D506 PolarHBondContact O-N 3Å; D506-T509 WeakPolarHBondContact O-CB 3.16Å; D506-T509 PolarHBondContact O-N 3.45Å; D506-N510 VanDerWaalsContact O-CG 3.32Å; D506-N510 PolarHBondContact O-N 3.06Å; D506-N510 PolarHBondContact O-ND2 3.47Å; D506-N510 VanDerWaalsContact O-ND2 3.08Å
507E91.9Very high90.8Very high124 Ų12474 Ų7458%0.57933%0.334SS*.Hα-helixtrans-58.7-48.5171.5-74.5177.2-163.100112K503 Q504 T509 N510 W511K503-E507 WeakPolarHBondContact O-CG 3.28Å; K503-E507 PolarHBondContact O-N 3.22Å; Q504-E507 PolarHBondContact O-N 2.91Å; E507-T509 VanDerWaalsContact C-N 3.29Å; E507-T509 PolarHBondContact O-N 3.26Å; E507-N510 WeakPolarHBondContact O-CB 3.24Å; E507-N510 PolarHBondContact O-N 3.04Å; E507-N510 VanDerWaalsContact O-N 3.15Å; E507-W511 VanDerWaalsContact O-CD1 3.23Å; E507-W511 PolarHBondContact O-N 2.91Å
508N92.9Very high90.4Very high8 Ų875.2 Ų75.24%0.04334%0.343CS..Hα-helixtrans-61.1-37.6174.8179.2-81.6000111.8L429 R433 I436 Q504 W511 L512L429-N508 PolarHBondContact O-ND2 3.47Å; R433-N508 WeakPolarHBondContact CB-OD1 3.43Å; R433-N508 WeakPolarHBondContact CD-OD1 3.47Å; R433-N508 VanDerWaalsContact CG-OD1 3.28Å; R433-N508 WeakPolarHBondContact CG-OD1 3.48Å; R433-N508 PolarHBondContact NH1-OD1 2.99Å; I436-N508 HydrophobicContact CD1-CB 3.97Å; Q504-N508 WeakPolarHBondContact O-CB 3.42Å; Q504-N508 PolarHBondContact O-N 2.94Å; N508-W511 WeakPolarHBondContact O-CB 3.31Å; N508-W511 PolarHBondContact O-N 3.1Å; N508-L512 PolarHBondContact O-N 3.45Å
509T91.2Very high90Very high27 Ų2771.2 Ų71.217%0.16633%0.328CS..Hα-helixtrans-64.9-39.5174.2-59.50000111.6R433 F505 D506 E507 W511 L512 H513R433-T509 PolarHBondContact NH1-OG1 3.31Å; R433-T509 PolarHBondContact NH2-OG1 3.16Å; F505-T509 VanDerWaalsContact O-CB 3.31Å; F505-T509 WeakPolarHBondContact O-CB 3.4Å; F505-T509 PolarHBondContact O-N 3.33Å; F505-T509 PolarHBondContact O-OG1 2.94Å; D506-T509 WeakPolarHBondContact O-CB 3.16Å; D506-T509 PolarHBondContact O-N 3.45Å; E507-T509 VanDerWaalsContact C-N 3.29Å; E507-T509 PolarHBondContact O-N 3.26Å; T509-W511 VanDerWaalsContact C-N 3.34Å; T509-L512 PolarHBondContact O-N 3.08Å; T509-H513 PolarHBondContact O-N 3.07Å; T509-H513 PolarHBondContact O-ND1 3.39Å
510N92.9Very high89.4Confident87 Ų8766.8 Ų66.847%0.46531%0.309SS..Hα-helixtrans-67-32.7173.7-71.2-42.3000112.6D506 E507 R514D506-N510 VanDerWaalsContact O-CG 3.32Å; D506-N510 PolarHBondContact O-N 3.06Å; D506-N510 PolarHBondContact O-ND2 3.47Å; D506-N510 VanDerWaalsContact O-ND2 3.08Å; E507-N510 WeakPolarHBondContact O-CB 3.24Å; E507-N510 PolarHBondContact O-N 3.04Å; E507-N510 VanDerWaalsContact O-N 3.15Å; N510-R514 WeakPolarHBondContact O-CG 3.06Å; N510-R514 PolarHBondContact O-N 3.23Å
511W89.9Confident88.8Confident148 Ų14869.6 Ų69.656%0.56132%0.322SS*.Hα-helixtrans-66-43.3169.6-82.4101.1000112.3L429 E507 N508 T509 R514 V515L429-W511 HydrophobicContact CD2-CB 4.03Å; E507-W511 VanDerWaalsContact O-CD1 3.23Å; E507-W511 PolarHBondContact O-N 2.91Å; N508-W511 WeakPolarHBondContact O-CB 3.31Å; N508-W511 PolarHBondContact O-N 3.1Å; T509-W511 VanDerWaalsContact C-N 3.34Å; W511-R514 VanDerWaalsContact CE2-NH2 3.3Å; W511-R514 WeakPolarHBondContact O-CB 3.33Å; W511-R514 PolarHBondContact O-N 3.46Å; W511-V515 PolarHBondContact O-N 2.93Å
512L90.8Very high87.9Confident12 Ų1269.7 Ų69.76%0.06332%0.323CS..Hα-helixtrans-60.3-47.2177.2-176.162.3000111.5L426 F430 N508 T509 R514 V515 E516 L536L426-L512 HydrophobicContact CD2-CD1 4.28Å; F430-L512 HydrophobicContact CE2-CD1 3.74Å; F430-L512 HydrophobicContact CE2-CD2 4.4Å; F430-L512 HydrophobicContact CZ-CD1 4.18Å; F430-L512 HydrophobicContact CZ-CD2 4.01Å; N508-L512 PolarHBondContact O-N 3.45Å; T509-L512 PolarHBondContact O-N 3.08Å; L512-R514 VanDerWaalsContact C-N 3.29Å; L512-R514 PolarHBondContact O-N 3.45Å; L512-V515 PolarHBondContact O-N 3.42Å; L512-V515 VanDerWaalsContact O-N 3.13Å; L512-E516 HydrophobicContact CD1-CG 4.37Å; L512-E516 HydrophobicContact CG-CG 4.38Å; L512-E516 WeakPolarHBondContact O-CG 3.42Å; L512-E516 PolarHBondContact O-N 3.16Å; L512-L536 HydrophobicContact CD1-CD1 4.07Å
513H88.6Confident86.7Confident97 Ų9767 Ų6745%0.44931%0.312SS..Hα-helixtrans-61.5-33.6176.2-72.793.4000113.3T509 K517T509-H513 PolarHBondContact O-N 3.07Å; T509-H513 PolarHBondContact O-ND1 3.39Å; H513-K517 WeakPolarHBondContact O-CB 3.43Å; H513-K517 PolarHBondContact O-N 3.01Å; H513-K517 VanDerWaalsContact O-N 3.08Å
514R89.7Confident85.1Confident112 Ų11269.9 Ų69.942%0.42333%0.327SS..Hα-helixtrans-64.6-46.7172.9-78.2-173.3-71.7-89.94.3111.2N510 W511 L512 K517 E518N510-R514 WeakPolarHBondContact O-CG 3.06Å; N510-R514 PolarHBondContact O-N 3.23Å; W511-R514 VanDerWaalsContact CE2-NH2 3.3Å; W511-R514 WeakPolarHBondContact O-CB 3.33Å; W511-R514 PolarHBondContact O-N 3.46Å; L512-R514 VanDerWaalsContact C-N 3.29Å; L512-R514 PolarHBondContact O-N 3.45Å; R514-K517 WeakPolarHBondContact O-CB 3.44Å; R514-K517 PolarHBondContact O-N 3.35Å; R514-E518 WeakPolarHBondContact O-CG 3.49Å; R514-E518 PolarHBondContact O-N 2.86Å
515V87.1Confident83.5Confident9 Ų973.8 Ų73.86%0.05535%0.351CS..Hα-helixtrans-68-40.7179.5169.10000111.8F422 I425 L426 L429 W511 L512 K517 E518 M519F422-V515 HydrophobicContact CD1-CG1 4.07Å; F422-V515 HydrophobicContact CE1-CG1 4.38Å; I425-V515 HydrophobicContact CG2-CG1 3.96Å; I425-V515 HydrophobicContact CG2-CG2 3.89Å; L426-V515 HydrophobicContact CD2-CG1 4.42Å; L429-V515 HydrophobicContact CD1-CB 4.03Å; L429-V515 HydrophobicContact CD1-CG1 4.25Å; L429-V515 HydrophobicContact CD1-CG2 3.77Å; W511-V515 PolarHBondContact O-N 2.93Å; L512-V515 PolarHBondContact O-N 3.42Å; L512-V515 VanDerWaalsContact O-N 3.13Å; V515-K517 VanDerWaalsContact C-N 3.28Å; V515-K517 PolarHBondContact O-N 3.15Å; V515-E518 PolarHBondContact O-N 3.35Å; V515-M519 HydrophobicContact CG1-CG 4.24Å; V515-M519 HydrophobicContact CG1-SD 3.62Å; V515-M519 WeakPolarHBondContact O-CB 3.16Å; V515-M519 WeakPolarHBondContact O-CG 3.37Å; V515-M519 PolarHBondContact O-N 2.86Å
516E86.4Confident82.1Confident53 Ų5375 Ų7525%0.24837%0.371CS..Hα-helixtrans-59.5-37.4172.5-73.3174.5172.300112.3L512 G520 I528 L536L512-E516 HydrophobicContact CD1-CG 4.37Å; L512-E516 HydrophobicContact CG-CG 4.38Å; L512-E516 WeakPolarHBondContact O-CG 3.42Å; L512-E516 PolarHBondContact O-N 3.16Å; E516-G520 PolarHBondContact O-N 3.47Å; E516-I528 HydrophobicContact CB-CD1 4.34Å; E516-L536 HydrophobicContact CG-CD1 4.44Å; E516-L536 HydrophobicContact CG-CD2 4.11Å
517K85.8Confident81Confident146 Ų14676.9 Ų76.964%0.63538%0.377SS*.Hα-helixtrans-67.4-44.3173.9-174.2-178.6178.3-175.40112H513 R514 V515 G520 H521H513-K517 WeakPolarHBondContact O-CB 3.43Å; H513-K517 PolarHBondContact O-N 3.01Å; H513-K517 VanDerWaalsContact O-N 3.08Å; R514-K517 WeakPolarHBondContact O-CB 3.44Å; R514-K517 PolarHBondContact O-N 3.35Å; V515-K517 VanDerWaalsContact C-N 3.28Å; V515-K517 PolarHBondContact O-N 3.15Å; K517-G520 PolarHBondContact O-N 3.01Å; K517-H521 PolarHBondContact O-CD2 3.42Å; K517-H521 PolarHBondContact O-N 3.27Å
518E84.8Confident80.3Confident96 Ų9672.8 Ų72.845%0.44936%0.359SS..Hα-helixtrans-61.4-43.3174.5-72.9175.8-164.700111.8F422 R514 V515 G520 H521F422-E518 HydrophobicContact CE1-CB 3.88Å; F422-E518 HydrophobicContact CZ-CB 3.88Å; R514-E518 WeakPolarHBondContact O-CG 3.49Å; R514-E518 PolarHBondContact O-N 2.86Å; V515-E518 PolarHBondContact O-N 3.35Å; E518-G520 VanDerWaalsContact C-N 3.27Å; E518-G520 PolarHBondContact O-N 3.19Å; E518-H521 WeakPolarHBondContact O-CB 3.5Å; E518-H521 PolarHBondContact O-N 3.21Å; E518-H521 VanDerWaalsContact O-N 3.12Å
519M83.9Confident79.8Confident0 Ų073.2 Ų73.20%036%0.362CS..Hα-helixtrans-63.6-31.2173.9-65.2157.966.800112.6F422 L426 V515 H521 L522 I528 P529 L532F422-M519 HydrophobicContact CB-CG 4.14Å; F422-M519 HydrophobicContact CD1-CG 3.54Å; F422-M519 HydrophobicContact CD1-SD 4.44Å; F422-M519 HydrophobicContact CD2-CG 4.45Å; F422-M519 HydrophobicContact CE1-CG 4.03Å; F422-M519 HydrophobicContact CG-CG 3.79Å; L426-M519 HydrophobicContact CD1-CE 3.75Å; L426-M519 HydrophobicContact CD1-SD 4.36Å; L426-M519 HydrophobicContact CD2-CE 4.33Å; L426-M519 HydrophobicContact CD2-SD 4.09Å; L426-M519 HydrophobicContact CG-CE 4.38Å; L426-M519 HydrophobicContact CG-SD 4.36Å; V515-M519 HydrophobicContact CG1-CG 4.24Å; V515-M519 HydrophobicContact CG1-SD 3.62Å; V515-M519 WeakPolarHBondContact O-CB 3.16Å; V515-M519 WeakPolarHBondContact O-CG 3.37Å; V515-M519 PolarHBondContact O-N 2.86Å; M519-H521 VanDerWaalsContact C-N 3.3Å; M519-H521 PolarHBondContact O-N 3.42Å; M519-L522 PolarHBondContact O-N 2.81Å; M519-I528 HydrophobicContact CB-CG1 4.25Å; M519-I528 HydrophobicContact CB-CG2 4.27Å; M519-I528 HydrophobicContact CE-CG2 3.93Å; M519-P529 VanDerWaalsContact O-CD 3.3Å; M519-P529 WeakPolarHBondContact O-CD 3.46Å; M519-L532 HydrophobicContact CB-CD1 4.46Å; M519-L532 HydrophobicContact CE-CB 3.71Å; M519-L532 HydrophobicContact CE-CD1 4.16Å; M519-L532 HydrophobicContact CE-CD2 4.34Å; M519-L532 HydrophobicContact CE-CG 4.29Å; M519-L532 HydrophobicContact CG-CD1 4.27Å
520G80.1Confident79.2Confident8 Ų880.4 Ų80.48%0.08239%0.391CS..Hα-helixtrans-63.1-35173.300000112.7E516 K517 E518 L522 G523 G526E516-G520 PolarHBondContact O-N 3.47Å; K517-G520 PolarHBondContact O-N 3.01Å; E518-G520 VanDerWaalsContact C-N 3.27Å; E518-G520 PolarHBondContact O-N 3.19Å; G520-L522 PolarHBondContact O-N 3.02Å; G520-G523 PolarHBondContact O-N 2.9Å; G520-G526 CarbonylContact O-C 3.13Å; G520-G526 VanDerWaalsContact O-CA 3.24Å; G520-G526 WeakPolarHBondContact O-CA 3.2Å
521H79.2Confident78.6Confident139 Ų13981.6 Ų81.664%0.64439%0.394SS*.Hα-helixtrans-69.8-17177.7-65.6-56.5000113.9K517 E518 M519K517-H521 PolarHBondContact O-CD2 3.42Å; K517-H521 PolarHBondContact O-N 3.27Å; E518-H521 WeakPolarHBondContact O-CB 3.5Å; E518-H521 PolarHBondContact O-N 3.21Å; E518-H521 VanDerWaalsContact O-N 3.12Å; M519-H521 VanDerWaalsContact C-N 3.3Å; M519-H521 PolarHBondContact O-N 3.42Å
522L72.9Confident78.3Confident23 Ų2374.5 Ų74.512%0.1237%0.367CS..THydrogen-bonded Turntrans-78.4-17.5174.9-66.4-175.6000114.4Q415 E418 F422 M519 G520 P529 L532Q415-L522 PolarHBondContact NE2-O 3.27Å; E418-L522 HydrophobicContact CB-CD1 4.08Å; E418-L522 HydrophobicContact CB-CD2 3.96Å; E418-L522 HydrophobicContact CG-CD2 4.47Å; E418-L522 VanDerWaalsContact OE2-CD2 3.23Å; E418-L522 WeakPolarHBondContact OE2-CD2 3.39Å; F422-L522 HydrophobicContact CD2-CD1 3.39Å; F422-L522 HydrophobicContact CD2-CG 4.42Å; F422-L522 HydrophobicContact CE2-CD1 3.49Å; F422-L522 VanDerWaalsContact CE2-CD1 3.49Å; F422-L522 HydrophobicContact CE2-CD2 4.41Å; F422-L522 HydrophobicContact CE2-CG 4.07Å; F422-L522 HydrophobicContact CG-CD1 4.48Å; M519-L522 PolarHBondContact O-N 2.81Å; G520-L522 PolarHBondContact O-N 3.02Å; L522-P529 HydrophobicContact CB-CG 4.03Å; L522-L532 HydrophobicContact CD1-CD1 4.29Å
523G66.8Low78Confident14 Ų1477.3 Ų77.314%0.14438%0.379CS..SBendtrans-96.7143.5-17600000113.2G520 N525 G526 H527G520-G523 PolarHBondContact O-N 2.9Å; G523-N525 PolarHBondContact O-N 2.8Å; G523-G526 PolarHBondContact O-N 3.26Å; G523-H527 WeakPolarHBondContact CA-O 3.41Å
524Q59.6Low77.8Confident170 Ų17079.4 Ų79.479%0.79439%0.386SS*.G310 helixtrans-57127.8169.2-67.3178-4.400109.2
525N57.2Low77.6Confident171 Ų17176.2 Ų76.291%0.91438%0.378SS*.G310 helixtrans67.623.5-174-49.2-27.4000116.1G523 H527G523-N525 PolarHBondContact O-N 2.8Å; N525-H527 PolarHBondContact O-N 3.28Å
526G61.3Low77.7Confident52 Ų5277 Ų7754%0.53638%0.382SS..G310 helixtrans7915.1171.300000114.9G520 G523G520-G526 CarbonylContact O-C 3.13Å; G520-G526 VanDerWaalsContact O-CA 3.24Å; G520-G526 WeakPolarHBondContact O-CA 3.2Å; G523-G526 PolarHBondContact O-N 3.26Å
527H67.9Low77.8Confident118 Ų11880 Ų8055%0.54640%0.396SS..  trans-104.5125.6-174-140-53.5000110.9G523 N525G523-H527 WeakPolarHBondContact CA-O 3.41Å; N525-H527 PolarHBondContact O-N 3.28Å
528I77Confident77.9Confident38 Ų3876.7 Ų76.720%0.19539%0.389CS..  trans-48.5130.6-178.1-61.3173.4000111.5E516 M519 L532 K533 L536E516-I528 HydrophobicContact CB-CD1 4.34Å; M519-I528 HydrophobicContact CB-CG1 4.25Å; M519-I528 HydrophobicContact CB-CG2 4.27Å; M519-I528 HydrophobicContact CE-CG2 3.93Å; I528-L532 HydrophobicContact CG2-CB 3.91Å; I528-K533 HydrophobicContact CG2-CB 4.2Å; I528-L536 HydrophobicContact CD1-CD2 4.49Å
529P82.3Confident78.2Confident18 Ų1874 Ų7412%0.11738%0.377CS..  trans-49.1144177-3136.1000113.9I419 M519 L522 E531 L532 K533I419-P529 HydrophobicContact CD1-CB 4.37Å; M519-P529 VanDerWaalsContact O-CD 3.3Å; M519-P529 WeakPolarHBondContact O-CD 3.46Å; L522-P529 HydrophobicContact CB-CG 4.03Å; P529-E531 VanDerWaalsContact C-N 3.28Å; P529-E531 PolarHBondContact O-N 3.07Å; P529-L532 HydrophobicContact CB-CB 4.4Å; P529-L532 HydrophobicContact CB-CD1 4.32Å; P529-L532 HydrophobicContact CB-CG 4.49Å; P529-L532 HydrophobicContact CG-CD1 4.14Å; P529-L532 PolarHBondContact O-N 2.93Å; P529-K533 WeakPolarHBondContact O-CB 3.45Å; P529-K533 PolarHBondContact O-N 3.48Å
530K79.9Confident78.4Confident177 Ų17778.2 Ų78.277%0.7740%0.396SS*.Hα-helixtrans-62-31-170.7-71.1-178.8-179.3174.20113.9K534K530-K534 WeakPolarHBondContact O-CG 3.33Å; K530-K534 PolarHBondContact O-N 3.37Å
531E79.2Confident78.9Confident112 Ų11281.2 Ų81.252%0.52341%0.41SS..Hα-helixtrans-69.5-59.2173.8-74.8129.3-147.400110.9P529 K533 K534 D535P529-E531 VanDerWaalsContact C-N 3.28Å; P529-E531 PolarHBondContact O-N 3.07Å; E531-K533 PolarHBondContact O-N 3.37Å; E531-K533 VanDerWaalsContact O-N 3.11Å; E531-K534 WeakPolarHBondContact O-CA 3.33Å; E531-K534 WeakPolarHBondContact O-CB 3.48Å; E531-K534 PolarHBondContact O-N 3.41Å; E531-D535 PolarHBondContact O-N 2.98Å
532L83Confident79.5Confident0 Ų080.4 Ų80.40%041%0.407CS..Hα-helixtrans-52.3-36.1176-72.7-179.8000113.7I419 F422 Q423 L426 M519 L522 I528 P529 D535 L536I419-L532 HydrophobicContact CG1-CD1 4.18Å; I419-L532 HydrophobicContact CG1-CG 4.49Å; I419-L532 HydrophobicContact CG2-CD2 4.24Å; I419-L532 HydrophobicContact CG2-CG 4.14Å; F422-L532 HydrophobicContact CB-CD1 4.01Å; F422-L532 HydrophobicContact CB-CD2 3.93Å; Q423-L532 HydrophobicContact CG-CD2 3.71Å; L426-L532 HydrophobicContact CD1-CD2 4.31Å; M519-L532 HydrophobicContact CB-CD1 4.46Å; M519-L532 HydrophobicContact CE-CB 3.71Å; M519-L532 HydrophobicContact CE-CD1 4.16Å; M519-L532 HydrophobicContact CE-CD2 4.34Å; M519-L532 HydrophobicContact CE-CG 4.29Å; M519-L532 HydrophobicContact CG-CD1 4.27Å; L522-L532 HydrophobicContact CD1-CD1 4.29Å; I528-L532 HydrophobicContact CG2-CB 3.91Å; P529-L532 HydrophobicContact CB-CB 4.4Å; P529-L532 HydrophobicContact CB-CD1 4.32Å; P529-L532 HydrophobicContact CB-CG 4.49Å; P529-L532 HydrophobicContact CG-CD1 4.14Å; P529-L532 PolarHBondContact O-N 2.93Å; L532-D535 PolarHBondContact O-N 2.99Å; L532-L536 VanDerWaalsContact O-CB 3.27Å; L532-L536 WeakPolarHBondContact O-CB 3.47Å; L532-L536 PolarHBondContact O-N 3.07Å
533K84.9Confident80.3Confident71 Ų7180 Ų8031%0.30940%0.404SS..Hα-helixtrans-66.3-35.8174.7-170179.1-175.4-178.60112.6I528 P529 E531 H537 Y705I528-K533 HydrophobicContact CG2-CB 4.2Å; P529-K533 WeakPolarHBondContact O-CB 3.45Å; P529-K533 PolarHBondContact O-N 3.48Å; E531-K533 PolarHBondContact O-N 3.37Å; E531-K533 VanDerWaalsContact O-N 3.11Å; K533-H537 WeakPolarHBondContact O-CB 3.48Å; K533-H537 PolarHBondContact O-N 3.08Å; K533-Y705 PolarHBondContact NZ-OH 3.36Å
534K85.6Confident81.3Confident140 Ų14083.5 Ų83.561%0.60942%0.417SS*.Hα-helixtrans-70.4-42.6173.7-71.5169.6-179.9176.90110.9K530 E531 H537 C538K530-K534 WeakPolarHBondContact O-CG 3.33Å; K530-K534 PolarHBondContact O-N 3.37Å; E531-K534 WeakPolarHBondContact O-CA 3.33Å; E531-K534 WeakPolarHBondContact O-CB 3.48Å; E531-K534 PolarHBondContact O-N 3.41Å; K534-H537 PolarHBondContact O-N 3.31Å; K534-C538 PolarHBondContact O-N 3.27Å; K534-C538 PolarHBondContact O-SG 3.09Å
535D85.3Confident82.6Confident46 Ų4679.2 Ų79.225%0.24640%0.399CS..Hα-helixtrans-64.2-47.6-179-62.3-24.1000111Q423 E531 L532 H537 C538 H539Q423-D535 PolarHBondContact NE2-OD2 2.94Å; E531-D535 PolarHBondContact O-N 2.98Å; L532-D535 PolarHBondContact O-N 2.99Å; D535-H537 VanDerWaalsContact C-N 3.29Å; D535-H537 PolarHBondContact O-N 3.11Å; D535-C538 PolarHBondContact O-N 3.01Å; D535-C538 VanDerWaalsContact O-N 3.1Å; D535-H539 PolarHBondContact O-CD2 3.25Å; D535-H539 PolarHBondContact O-N 3.41Å
536L88.5Confident84.1Confident25 Ų2574.3 Ų74.313%0.13137%0.37CS..Hα-helixtrans-53-45172.2-17867.7000112.1L426 F430 L512 E516 I528 L532 H540L426-L536 HydrophobicContact CD2-CD1 3.94Å; F430-L536 HydrophobicContact CE2-CD1 3.79Å; F430-L536 HydrophobicContact CZ-CD1 3.94Å; L512-L536 HydrophobicContact CD1-CD1 4.07Å; E516-L536 HydrophobicContact CG-CD1 4.44Å; E516-L536 HydrophobicContact CG-CD2 4.11Å; I528-L536 HydrophobicContact CD1-CD2 4.49Å; L532-L536 VanDerWaalsContact O-CB 3.27Å; L532-L536 WeakPolarHBondContact O-CB 3.47Å; L532-L536 PolarHBondContact O-N 3.07Å; L536-H540 WeakPolarHBondContact O-CB 3.4Å; L536-H540 PolarHBondContact O-N 3.29Å
537H88.3Confident85.5Confident117 Ų11772.4 Ų72.454%0.54235%0.348SS..Hα-helixtrans-66.9-40177.4-173.364.2000112.6K533 K534 D535 H540 L541K533-H537 WeakPolarHBondContact O-CB 3.48Å; K533-H537 PolarHBondContact O-N 3.08Å; K534-H537 PolarHBondContact O-N 3.31Å; D535-H537 VanDerWaalsContact C-N 3.29Å; D535-H537 PolarHBondContact O-N 3.11Å; H537-H540 PolarHBondContact O-N 2.86Å; H537-L541 WeakPolarHBondContact NE2-CD1 3.38Å; H537-L541 WeakPolarHBondContact O-CB 3.39Å; H537-L541 WeakPolarHBondContact O-CG 3.38Å; H537-L541 PolarHBondContact O-N 3.23Å
538C88.2Confident86.4Confident75 Ų7570 Ų7051%0.50734%0.338SS..Hα-helixtrans-64.2-44176.4-68.10000111.7K534 D535 L541 H542K534-C538 PolarHBondContact O-N 3.27Å; K534-C538 PolarHBondContact O-SG 3.09Å; D535-C538 PolarHBondContact O-N 3.01Å; D535-C538 VanDerWaalsContact O-N 3.1Å; C538-L541 PolarHBondContact O-N 3.36Å; C538-H542 VanDerWaalsContact O-CB 3.31Å; C538-H542 WeakPolarHBondContact O-CB 3.39Å; C538-H542 PolarHBondContact O-N 2.91Å
539H90.3Very high87Confident39 Ų3974.3 Ų74.318%0.18136%0.356CS..Hα-helixtrans-62.4-41.5174.7-76-64.7000112.3N427 F430 D535 H542 L543N427-H539 PolarHBondContact OD1-CE1 2.6Å; F430-H539 HydrophobicContact CB-CB 4.21Å; F430-H539 HydrophobicContact CD1-CB 3.67Å; F430-H539 HydrophobicContact CD2-CB 3.72Å; F430-H539 HydrophobicContact CE1-CB 3.85Å; F430-H539 HydrophobicContact CE2-CB 3.91Å; F430-H539 HydrophobicContact CG-CB 3.59Å; F430-H539 HydrophobicContact CZ-CB 3.97Å; D535-H539 PolarHBondContact O-CD2 3.25Å; D535-H539 PolarHBondContact O-N 3.41Å; H539-H542 PolarHBondContact O-N 3.13Å; H539-L543 PolarHBondContact O-N 3.11Å
540H89.9Confident87.3Confident89 Ų8974 Ų7441%0.41235%0.354SS..Hα-helixtrans-63.4-46.3176.2-165.998.5000112.1L536 H537 H542 L543 Q544L536-H540 WeakPolarHBondContact O-CB 3.4Å; L536-H540 PolarHBondContact O-N 3.29Å; H537-H540 PolarHBondContact O-N 2.86Å; H540-H542 VanDerWaalsContact C-N 3.32Å; H540-H542 PolarHBondContact O-N 3.45Å; H540-L543 PolarHBondContact O-N 2.83Å; H540-Q544 PolarHBondContact CD2-NE2 3.41Å; H540-Q544 PolarHBondContact NE2-NE2 3.26Å; H540-Q544 WeakPolarHBondContact O-CG 3.5Å; H540-Q544 PolarHBondContact O-N 3.23Å
541L90.1Very high87.6Confident71 Ų7165.6 Ų65.637%0.37232%0.318SS..Hα-helixtrans-62.6-37.2175-76.7174000112.6H537 C538 N545H537-L541 WeakPolarHBondContact NE2-CD1 3.38Å; H537-L541 WeakPolarHBondContact O-CB 3.39Å; H537-L541 WeakPolarHBondContact O-CG 3.38Å; H537-L541 PolarHBondContact O-N 3.23Å; C538-L541 PolarHBondContact O-N 3.36Å; L541-N545 WeakPolarHBondContact O-CB 3.48Å; L541-N545 PolarHBondContact O-N 3.3Å; L541-N545 PolarHBondContact O-ND2 3.44Å
542H90.9Very high88Confident123 Ų12363.7 Ų63.757%0.56931%0.311SS*.Hα-helixtrans-62.8-46.9176.8-175.381000111.5E434 C538 H539 H540 N545 K546E434-H542 IonicContact OE2-CD2 3.99Å; C538-H542 VanDerWaalsContact O-CB 3.31Å; C538-H542 WeakPolarHBondContact O-CB 3.39Å; C538-H542 PolarHBondContact O-N 2.91Å; H539-H542 PolarHBondContact O-N 3.13Å; H540-H542 VanDerWaalsContact C-N 3.32Å; H540-H542 PolarHBondContact O-N 3.45Å; H542-N545 PolarHBondContact O-N 3Å; H542-K546 PolarHBondContact O-N 3.12Å; H542-K546 VanDerWaalsContact O-N 3.07Å
543L89.6Confident88.2Confident13 Ų1370.9 Ų70.97%0.06834%0.338CS..Hα-helixtrans-62.3-48.7176.8-175.262.5000111.4R433 E434 R437 H539 H540 N545 K546 D547R433-L543 HydrophobicContact CG-CD2 3.85Å; E434-L543 HydrophobicContact CB-CD1 3.99Å; E434-L543 HydrophobicContact CG-CD1 4.05Å; R437-L543 HydrophobicContact CB-CD1 4.22Å; R437-L543 HydrophobicContact CG-CD1 4.33Å; H539-L543 PolarHBondContact O-N 3.11Å; H540-L543 PolarHBondContact O-N 2.83Å; L543-N545 VanDerWaalsContact C-N 3.3Å; L543-N545 PolarHBondContact O-N 3.29Å; L543-K546 PolarHBondContact O-N 3.29Å; L543-D547 PolarHBondContact O-N 2.58Å
544Q89.3Confident88.4Confident88 Ų8868.3 Ų68.341%0.41133%0.327SS..Hα-helixtrans-55.7-43.1175.1-73.5-175.3-1.700112.5H540 K546 D547 L548H540-Q544 PolarHBondContact CD2-NE2 3.41Å; H540-Q544 PolarHBondContact NE2-NE2 3.26Å; H540-Q544 WeakPolarHBondContact O-CG 3.5Å; H540-Q544 PolarHBondContact O-N 3.23Å; Q544-K546 VanDerWaalsContact C-N 3.3Å; Q544-K546 PolarHBondContact O-N 3.03Å; Q544-D547 PolarHBondContact O-N 2.87Å; Q544-L548 WeakPolarHBondContact O-CG 3.43Å; Q544-L548 PolarHBondContact O-N 3.48Å
545N85.7Confident88.5Confident80 Ų8065.3 Ų65.343%0.42832%0.316SS..Hα-helixtrans-65.2-32.3177.7-90.2-86.9000112.9L541 H542 L543 K549L541-N545 WeakPolarHBondContact O-CB 3.48Å; L541-N545 PolarHBondContact O-N 3.3Å; L541-N545 PolarHBondContact O-ND2 3.44Å; H542-N545 PolarHBondContact O-N 3Å; L543-N545 VanDerWaalsContact C-N 3.3Å; L543-N545 PolarHBondContact O-N 3.29Å; N545-K549 WeakPolarHBondContact O-CB 3.43Å; N545-K549 VanDerWaalsContact O-CD 3.31Å; N545-K549 WeakPolarHBondContact O-CD 3.5Å; N545-K549 WeakPolarHBondContact O-CG 3.48Å; N545-K549 PolarHBondContact O-N 2.85Å
546K88.8Confident88.5Confident69 Ų6969 Ų6930%0.333%0.333SS..Hα-helixtrans-74.4-42.6175-77.2-176.6172.11750111.7E434 H542 L543 Q544 K549 A550E434-K546 HydrophobicContact CG-CD 4.16Å; E434-K546 WeakPolarHBondContact OE1-CD 3.41Å; E434-K546 WeakPolarHBondContact OE1-CE 3.43Å; E434-K546 IonicContact OE1-NZ 2.82Å; E434-K546 PolarHBondContact OE1-NZ 3.07Å; E434-K546 VanDerWaalsContact OE2-CD 3.29Å; E434-K546 WeakPolarHBondContact OE2-CD 3.4Å; E434-K546 WeakPolarHBondContact OE2-CE 3.39Å; E434-K546 IonicContact OE2-NZ 2.78Å; E434-K546 PolarHBondContact OE2-NZ 3.22Å; H542-K546 PolarHBondContact O-N 3.12Å; H542-K546 VanDerWaalsContact O-N 3.07Å; L543-K546 PolarHBondContact O-N 3.29Å; Q544-K546 VanDerWaalsContact C-N 3.3Å; Q544-K546 PolarHBondContact O-N 3.03Å; K546-K549 PolarHBondContact O-N 3.03Å; K546-A550 PolarHBondContact O-N 2.81Å
547D90.7Very high88.4Confident12 Ų1272.3 Ų72.36%0.06435%0.351CS..Hα-helixtrans-58.4-50176-798.8000111.7R437 L441 L543 Q544 K549 A550 Q551R437-D547 WeakPolarHBondContact CD-OD2 3.39Å; R437-D547 IonicContact CZ-OD2 2.81Å; R437-D547 IonicContact NE-OD2 3.7Å; R437-D547 IonicContact NH1-OD2 3.22Å; R437-D547 PolarHBondContact NH1-OD2 2.73Å; L441-D547 HydrophobicContact CD1-CB 3.94Å; L441-D547 WeakPolarHBondContact CD1-OD1 3.46Å; L543-D547 PolarHBondContact O-N 2.58Å; Q544-D547 PolarHBondContact O-N 2.87Å; D547-K549 VanDerWaalsContact C-N 3.33Å; D547-K549 PolarHBondContact O-N 3.3Å; D547-A550 WeakPolarHBondContact O-CB 3.32Å; D547-A550 PolarHBondContact O-N 3.49Å; D547-A550 VanDerWaalsContact O-N 3.08Å; D547-Q551 WeakPolarHBondContact O-CG 3.37Å; D547-Q551 PolarHBondContact O-N 3.35Å
548L87.8Confident88.4Confident68 Ų6867 Ų6736%0.35633%0.326SS..Hα-helixtrans-59.7-41.8176.6-71.5170.1000112Q544 A550 Q551 I552 L641Q544-L548 WeakPolarHBondContact O-CG 3.43Å; Q544-L548 PolarHBondContact O-N 3.48Å; L548-A550 VanDerWaalsContact C-N 3.3Å; L548-A550 PolarHBondContact O-N 3Å; L548-Q551 PolarHBondContact O-N 3.43Å; L548-I552 VanDerWaalsContact O-CG1 3.27Å; L548-I552 WeakPolarHBondContact O-CG1 3.5Å; L548-I552 PolarHBondContact O-N 3.24Å; L548-L641 HydrophobicContact CD2-CD2 3.81Å
549K88.8Confident88.3Confident127 Ų12765.5 Ų65.555%0.55232%0.32SS*.Hα-helixtrans-67-27.9175.5-74.8170.5-173.1172.40113.1N545 K546 D547 R553N545-K549 WeakPolarHBondContact O-CB 3.43Å; N545-K549 VanDerWaalsContact O-CD 3.31Å; N545-K549 WeakPolarHBondContact O-CD 3.5Å; N545-K549 WeakPolarHBondContact O-CG 3.48Å; N545-K549 PolarHBondContact O-N 2.85Å; K546-K549 PolarHBondContact O-N 3.03Å; D547-K549 VanDerWaalsContact C-N 3.33Å; D547-K549 PolarHBondContact O-N 3.3Å; K549-R553 WeakPolarHBondContact O-CG 3.24Å; K549-R553 PolarHBondContact O-NE 3.33Å
550A88.1Confident88.1Confident11 Ų1167.6 Ų67.69%0.09134%0.338CS..Hα-helixtrans-73.5-48.4171.800000110.9L441 K546 D547 L548 I552 R553 H554L441-A550 HydrophobicContact CD1-CB 4.06Å; K546-A550 PolarHBondContact O-N 2.81Å; D547-A550 WeakPolarHBondContact O-CB 3.32Å; D547-A550 PolarHBondContact O-N 3.49Å; D547-A550 VanDerWaalsContact O-N 3.08Å; L548-A550 VanDerWaalsContact C-N 3.3Å; L548-A550 PolarHBondContact O-N 3Å; A550-I552 PolarHBondContact O-N 2.96Å; A550-R553 WeakPolarHBondContact O-CB 3.48Å; A550-R553 PolarHBondContact O-N 3.39Å; A550-R553 VanDerWaalsContact O-N 3.12Å; A550-H554 PolarHBondContact O-CD2 3.2Å; A550-H554 VanDerWaalsContact O-CG 3.22Å; A550-H554 PolarHBondContact O-N 2.98Å
551Q87.6Confident87.9Confident2 Ų264.7 Ų64.71%0.00933%0.325CS..Hα-helixtrans-60.8-41179.1-69.9170.3-0.700113.2L441 D547 L548 R553 H554 M555 Q640 L641L441-Q551 HydrophobicContact CD2-CG 4.09Å; D547-Q551 WeakPolarHBondContact O-CG 3.37Å; D547-Q551 PolarHBondContact O-N 3.35Å; L548-Q551 PolarHBondContact O-N 3.43Å; Q551-R553 VanDerWaalsContact C-N 3.31Å; Q551-R553 PolarHBondContact O-N 3.33Å; Q551-H554 PolarHBondContact O-N 3.14Å; Q551-M555 WeakPolarHBondContact O-CB 3.5Å; Q551-M555 PolarHBondContact O-N 2.9Å; Q551-Q640 VanDerWaalsContact NE2-CD 3.33Å; Q551-L641 HydrophobicContact CB-CD1 3.84Å; Q551-L641 HydrophobicContact CB-CG 4.48Å
552I85.8Confident87.7Confident72 Ų7264.6 Ų64.637%0.36932%0.323SS..Hα-helixtrans-60.5-40.7175.4-69.6165.5000111.2L548 A550 M556 L641L548-I552 VanDerWaalsContact O-CG1 3.27Å; L548-I552 WeakPolarHBondContact O-CG1 3.5Å; L548-I552 PolarHBondContact O-N 3.24Å; A550-I552 PolarHBondContact O-N 2.96Å; I552-M556 HydrophobicContact CG2-CE 3.98Å; I552-M556 WeakPolarHBondContact O-CG 3.44Å; I552-M556 PolarHBondContact O-N 3.44Å; I552-L641 HydrophobicContact CG1-CD1 4.36Å
553R87.4Confident87.4Confident150 Ų15063.3 Ų63.357%0.56632%0.317SS*.Hα-helixtrans-65.1-48.8174.9-72.6179.7-69.5155.21111.3K549 A550 Q551 M555 M556 D557K549-R553 WeakPolarHBondContact O-CG 3.24Å; K549-R553 PolarHBondContact O-NE 3.33Å; A550-R553 WeakPolarHBondContact O-CB 3.48Å; A550-R553 PolarHBondContact O-N 3.39Å; A550-R553 VanDerWaalsContact O-N 3.12Å; Q551-R553 VanDerWaalsContact C-N 3.31Å; Q551-R553 PolarHBondContact O-N 3.33Å; R553-M555 VanDerWaalsContact C-N 3.26Å; R553-M555 PolarHBondContact O-N 2.91Å; R553-M556 WeakPolarHBondContact O-CA 3.4Å; R553-M556 WeakPolarHBondContact O-CB 3.43Å; R553-M556 PolarHBondContact O-N 2.91Å; R553-D557 PolarHBondContact O-N 3.41Å
554H89.9Confident87.3Confident18 Ų1868 Ų688%0.08334%0.339CS..Hα-helixtrans-58.6-37.8178.6-60.9168.3000112.5L441 M445 A550 Q551 D557 L558 F638L441-H554 PolarHBondContact O-CE1 3.18Å; L441-H554 PolarHBondContact O-ND1 3Å; M445-H554 HydrophobicContact CB-CB 3.91Å; M445-H554 HydrophobicContact CG-CB 3.77Å; A550-H554 PolarHBondContact O-CD2 3.2Å; A550-H554 VanDerWaalsContact O-CG 3.22Å; A550-H554 PolarHBondContact O-N 2.98Å; Q551-H554 PolarHBondContact O-N 3.14Å; H554-D557 PolarHBondContact O-N 3.47Å; H554-L558 WeakPolarHBondContact O-CG 3.43Å; H554-L558 PolarHBondContact O-N 3.07Å; H554-F638 HydrophobicContact CB-CE2 4.43Å; H554-F638 HydrophobicContact CB-CZ 4.03Å
555M87.1Confident87Confident77 Ų7765.8 Ų65.838%0.37933%0.328SS..Hα-helixtrans-65.1-39.5174.1-175.8179.26300112.4Q551 R553 A559 F638 L641Q551-M555 WeakPolarHBondContact O-CB 3.5Å; Q551-M555 PolarHBondContact O-N 2.9Å; R553-M555 VanDerWaalsContact C-N 3.26Å; R553-M555 PolarHBondContact O-N 2.91Å; M555-A559 WeakPolarHBondContact O-CB 3.35Å; M555-A559 PolarHBondContact O-N 3.22Å; M555-F638 HydrophobicContact CB-CE2 4.36Å; M555-L641 HydrophobicContact SD-CD1 4.5Å
556M85.3Confident86.9Confident123 Ų12367.8 Ų67.861%0.60634%0.335SS*.Hα-helixtrans-65.4-41.4174.4-69.5176.6176.300112I552 R553 A559 C560I552-M556 HydrophobicContact CG2-CE 3.98Å; I552-M556 WeakPolarHBondContact O-CG 3.44Å; I552-M556 PolarHBondContact O-N 3.44Å; R553-M556 WeakPolarHBondContact O-CA 3.4Å; R553-M556 WeakPolarHBondContact O-CB 3.43Å; R553-M556 PolarHBondContact O-N 2.91Å; M556-A559 PolarHBondContact O-N 2.73Å; M556-C560 PolarHBondContact O-N 3.06Å
557D86.9Confident86.7Confident94 Ų9471.9 Ų71.950%0.50335%0.348SS..Hα-helixtrans-63.7-43.9178.3-63.8-34.5000111.6R553 H554 C560 L561R553-D557 PolarHBondContact O-N 3.41Å; H554-D557 PolarHBondContact O-N 3.47Å; D557-C560 WeakPolarHBondContact O-CB 3.35Å; D557-C560 PolarHBondContact O-N 3.2Å; D557-L561 PolarHBondContact O-N 3.28Å; D557-L561 VanDerWaalsContact O-N 3.17Å
558L87.7Confident86.3Confident5 Ų576.4 Ų76.43%0.02637%0.369CS..Hα-helixtrans-64.4-39.8174.5-68.8171.9000112.1K448 E449 L452 H554 C560 L561 Q562 M636 F638K448-L558 HydrophobicContact CB-CD1 3.87Å; K448-L558 HydrophobicContact CB-CD2 4.19Å; E449-L558 HydrophobicContact CB-CD2 4.26Å; L452-L558 HydrophobicContact CD2-CD2 4.39Å; H554-L558 WeakPolarHBondContact O-CG 3.43Å; H554-L558 PolarHBondContact O-N 3.07Å; L558-C560 VanDerWaalsContact C-N 3.34Å; L558-C560 PolarHBondContact O-N 2.93Å; L558-L561 PolarHBondContact O-N 3.3Å; L558-Q562 PolarHBondContact O-N 2.98Å; L558-M636 HydrophobicContact CB-CE 3.67Å; L558-M636 HydrophobicContact CB-SD 3.85Å; L558-F638 HydrophobicContact CD1-CE2 3.96Å; L558-F638 HydrophobicContact CD1-CZ 4.04Å
559A85.7Confident86.1Confident45 Ų4575.8 Ų75.837%0.37237%0.368SS..Hα-helixtrans-64.7-38.5178.300000111.8M555 M556 Q562 E563 M636M555-A559 WeakPolarHBondContact O-CB 3.35Å; M555-A559 PolarHBondContact O-N 3.22Å; M556-A559 PolarHBondContact O-N 2.73Å; A559-Q562 PolarHBondContact O-N 2.91Å; A559-E563 PolarHBondContact O-N 3.17Å; A559-M636 HydrophobicContact CB-CE 4.35Å
560C87.9Confident85.9Confident82 Ų8274.2 Ų74.255%0.55436%0.363SS*.Hα-helixtrans-60.8-43172.9-173.90000111.8M556 D557 L558 E563 Q564M556-C560 PolarHBondContact O-N 3.06Å; D557-C560 WeakPolarHBondContact O-CB 3.35Å; D557-C560 PolarHBondContact O-N 3.2Å; L558-C560 VanDerWaalsContact C-N 3.34Å; L558-C560 PolarHBondContact O-N 2.93Å; C560-E563 PolarHBondContact O-N 3.44Å; C560-Q564 PolarHBondContact O-N 2.82Å
561L85.3Confident85.9Confident29 Ų2976.6 Ų76.615%0.15238%0.383CS..Hα-helixtrans-63.9-42.1176-166.6111.1000112.2L452 K453 D557 L558 Q564 Q565L452-L561 HydrophobicContact CB-CD2 4.37Å; L452-L561 HydrophobicContact CD2-CD2 3.64Å; L452-L561 HydrophobicContact CG-CD2 3.89Å; K453-L561 HydrophobicContact CG-CD2 4.17Å; D557-L561 PolarHBondContact O-N 3.28Å; D557-L561 VanDerWaalsContact O-N 3.17Å; L558-L561 PolarHBondContact O-N 3.3Å; L561-Q564 PolarHBondContact O-N 2.94Å; L561-Q565 WeakPolarHBondContact O-CG 3.49Å; L561-Q565 PolarHBondContact O-N 3.48Å
562Q86.4Confident85.8Confident69 Ų6980.2 Ų80.232%0.32241%0.405SS..Hα-helixtrans-60.8-44.8174.1171171.33.900111.5L558 A559 Q564 Q565 H566L558-Q562 PolarHBondContact O-N 2.98Å; A559-Q562 PolarHBondContact O-N 2.91Å; Q562-Q564 VanDerWaalsContact C-N 3.35Å; Q562-Q564 PolarHBondContact O-N 2.81Å; Q562-Q565 PolarHBondContact O-N 3.08Å; Q562-H566 PolarHBondContact O-N 3.46Å
563E84.8Confident85.8Confident95 Ų9581.1 Ų81.144%0.44441%0.41SS..Hα-helixtrans-62.6-41.5178.4-162.6-168.8149.400111.7A559 C560 Q565 H566 R567A559-E563 PolarHBondContact O-N 3.17Å; C560-E563 PolarHBondContact O-N 3.44Å; E563-Q565 VanDerWaalsContact C-N 3.32Å; E563-Q565 PolarHBondContact O-N 3.42Å; E563-H566 PolarHBondContact O-N 3.42Å; E563-R567 WeakPolarHBondContact O-CG 3.46Å; E563-R567 PolarHBondContact O-N 2.83Å; E563-R567 IonicContact OE1-CZ 2.83Å; E563-R567 VanDerWaalsContact OE1-CZ 3.31Å; E563-R567 IonicContact OE1-NE 3.59Å; E563-R567 PolarHBondContact OE1-NE 3.35Å; E563-R567 VanDerWaalsContact OE1-NE 3.16Å; E563-R567 IonicContact OE1-NH2 3.76Å; E563-R567 PolarHBondContact OE1-NH2 2.94Å
564Q85.6Confident85.7Confident113 Ų11378.4 Ų78.453%0.52841%0.407SS..Hα-helixtrans-59.3-41.3176-170.5-176.614.900112.3C560 L561 Q562 Q568C560-Q564 PolarHBondContact O-N 2.82Å; L561-Q564 PolarHBondContact O-N 2.94Å; Q562-Q564 VanDerWaalsContact C-N 3.35Å; Q562-Q564 PolarHBondContact O-N 2.81Å; Q564-Q568 PolarHBondContact O-N 2.9Å
565Q83.8Confident85.7Confident40 Ų4080.4 Ų80.419%0.18743%0.426CS..Hα-helixtrans-73.5-32.6177-66.3-62.6-79.200112.5Y456 L561 Q562 E563 Q568 T569Y456-Q565 HydrophobicContact CD1-CB 4.19Å; Y456-Q565 HydrophobicContact CD1-CG 4.48Å; Y456-Q565 HydrophobicContact CD2-CB 4.02Å; Y456-Q565 HydrophobicContact CD2-CG 3.59Å; Y456-Q565 HydrophobicContact CE1-CB 4.1Å; Y456-Q565 HydrophobicContact CE2-CB 3.87Å; Y456-Q565 HydrophobicContact CE2-CG 3.79Å; Y456-Q565 HydrophobicContact CG-CB 4.17Å; Y456-Q565 HydrophobicContact CG-CG 3.95Å; L561-Q565 WeakPolarHBondContact O-CG 3.49Å; L561-Q565 PolarHBondContact O-N 3.48Å; Q562-Q565 PolarHBondContact O-N 3.08Å; E563-Q565 VanDerWaalsContact C-N 3.32Å; E563-Q565 PolarHBondContact O-N 3.42Å; Q565-Q568 PolarHBondContact O-N 3.39Å; Q565-T569 PolarHBondContact O-N 3.32Å; Q565-T569 VanDerWaalsContact O-N 3.07Å; Q565-T569 PolarHBondContact O-OG1 2.92Å
566H82.9Confident85.7Confident122 Ų12280.6 Ų80.657%0.56543%0.429SS*.Hα-helixtrans-62.7-47.9173.2-170.255000111.3Q562 E563 Q568 T569 E570Q562-H566 PolarHBondContact O-N 3.46Å; E563-H566 PolarHBondContact O-N 3.42Å; H566-Q568 VanDerWaalsContact C-N 3.27Å; H566-Q568 PolarHBondContact O-N 3.48Å; H566-T569 CarbonylContact O-C 3.6Å; H566-T569 WeakPolarHBondContact O-CA 3.34Å; H566-T569 WeakPolarHBondContact O-CB 3.33Å; H566-T569 PolarHBondContact O-N 3.03Å; H566-E570 WeakPolarHBondContact O-CB 3.34Å; H566-E570 PolarHBondContact O-N 3.05Å
567R85.6Confident85.8Confident156 Ų15677.3 Ų77.359%0.58941%0.413SS*.Hα-helixtrans-58.3-35.7176.5-67.6177.3-172.7-156.56.8113E563 A571E563-R567 WeakPolarHBondContact O-CG 3.46Å; E563-R567 PolarHBondContact O-N 2.83Å; E563-R567 IonicContact OE1-CZ 2.83Å; E563-R567 VanDerWaalsContact OE1-CZ 3.31Å; E563-R567 IonicContact OE1-NE 3.59Å; E563-R567 PolarHBondContact OE1-NE 3.35Å; E563-R567 VanDerWaalsContact OE1-NE 3.16Å; E563-R567 IonicContact OE1-NH2 3.76Å; E563-R567 PolarHBondContact OE1-NH2 2.94Å; R567-A571 WeakPolarHBondContact O-CB 3.49Å; R567-A571 PolarHBondContact O-N 2.94Å
568Q82.1Confident85.9Confident106 Ų10676.6 Ų76.650%0.49541%0.413SS..Hα-helixtrans-67.9-40.4174.3-72.5-179.1-10.500112Q564 Q565 H566 V572Q564-Q568 PolarHBondContact O-N 2.9Å; Q565-Q568 PolarHBondContact O-N 3.39Å; H566-Q568 VanDerWaalsContact C-N 3.27Å; H566-Q568 PolarHBondContact O-N 3.48Å; Q568-V572 WeakPolarHBondContact O-CG2 3.47Å; Q568-V572 PolarHBondContact O-N 3.18Å
569T83.6Confident85.9Confident56 Ų5679.9 Ų79.934%0.34443%0.434SS..Hα-helixtrans-68.1-41.2176.7-520000111.3Q565 H566 V572 L573Q565-T569 PolarHBondContact O-N 3.32Å; Q565-T569 VanDerWaalsContact O-N 3.07Å; Q565-T569 PolarHBondContact O-OG1 2.92Å; H566-T569 CarbonylContact O-C 3.6Å; H566-T569 WeakPolarHBondContact O-CA 3.34Å; H566-T569 WeakPolarHBondContact O-CB 3.33Å; H566-T569 PolarHBondContact O-N 3.03Å; T569-V572 PolarHBondContact O-N 3.2Å; T569-L573 PolarHBondContact O-N 2.99Å
570E84.7Confident85.9Confident93 Ų9379.9 Ų79.944%0.43543%0.427SS..Hα-helixtrans-62.3-41.7175.7-178.1178.5-161.100112H566 V572 L573 N574H566-E570 WeakPolarHBondContact O-CB 3.34Å; H566-E570 PolarHBondContact O-N 3.05Å; E570-V572 VanDerWaalsContact C-N 3.32Å; E570-V572 PolarHBondContact O-N 3.48Å; E570-L573 PolarHBondContact O-N 3.08Å; E570-N574 WeakPolarHBondContact O-CB 3.46Å; E570-N574 VanDerWaalsContact O-CG 3.24Å; E570-N574 PolarHBondContact O-N 2.8Å; E570-N574 PolarHBondContact O-ND2 2.95Å
571A87Confident85.9Confident62 Ų6284.4 Ų84.451%0.51243%0.433SS..Hα-helixtrans-61.1-39.7174.700000112.5R567 A575R567-A571 WeakPolarHBondContact O-CB 3.49Å; R567-A571 PolarHBondContact O-N 2.94Å; A571-A575 PolarHBondContact O-N 3.17Å
572V86Confident86Confident78 Ų7890.4 Ų90.447%0.47346%0.458SS..Hα-helixtrans-66.6-46.3174.2173.40000110.8Q568 T569 E570 N574 A575 L576Q568-V572 WeakPolarHBondContact O-CG2 3.47Å; Q568-V572 PolarHBondContact O-N 3.18Å; T569-V572 PolarHBondContact O-N 3.2Å; E570-V572 VanDerWaalsContact C-N 3.32Å; E570-V572 PolarHBondContact O-N 3.48Å; V572-N574 VanDerWaalsContact C-N 3.35Å; V572-N574 PolarHBondContact O-N 3.12Å; V572-A575 PolarHBondContact O-N 2.79Å; V572-L576 HydrophobicContact CG1-CD1 3.71Å; V572-L576 HydrophobicContact CG1-CG 4.22Å; V572-L576 WeakPolarHBondContact O-CG 3.42Å; V572-L576 PolarHBondContact O-N 3.5Å
573L85.4Confident85.9Confident91 Ų9192.6 Ų92.648%0.47647%0.468SS..Hα-helixtrans-57.7-46.1177.3-168.292.1000111.8T569 E570 A575 L576 L577T569-L573 PolarHBondContact O-N 2.99Å; E570-L573 PolarHBondContact O-N 3.08Å; L573-A575 VanDerWaalsContact C-N 3.27Å; L573-A575 PolarHBondContact O-N 2.89Å; L573-L576 PolarHBondContact O-N 2.74Å; L573-L577 HydrophobicContact CD2-CD1 3.86Å; L573-L577 HydrophobicContact CG-CD1 3.79Å; L573-L577 HydrophobicContact CG-CG 4.18Å; L573-L577 WeakPolarHBondContact O-CG 3.42Å; L573-L577 PolarHBondContact O-N 3.02Å
574N87Confident86Confident93 Ų9389.1 Ų89.150%0.49745%0.451SS..Hα-helixtrans-68.1-22.9-179.5-72.2-21.2000113.3E570 V572 P578E570-N574 WeakPolarHBondContact O-CB 3.46Å; E570-N574 VanDerWaalsContact O-CG 3.24Å; E570-N574 PolarHBondContact O-N 2.8Å; E570-N574 PolarHBondContact O-ND2 2.95Å; V572-N574 VanDerWaalsContact C-N 3.35Å; V572-N574 PolarHBondContact O-N 3.12Å; N574-P578 WeakPolarHBondContact O-CD 3.48Å; N574-P578 VanDerWaalsContact O-CG 3.31Å; N574-P578 WeakPolarHBondContact O-CG 3.37Å
575A88.3Confident85.9Confident60 Ų6086.3 Ų86.350%0.49644%0.443SS..Hα-helixtrans-83.3-36.2170.500000112.5A571 V572 L573 T579A571-A575 PolarHBondContact O-N 3.17Å; V572-A575 PolarHBondContact O-N 2.79Å; L573-A575 VanDerWaalsContact C-N 3.27Å; L573-A575 PolarHBondContact O-N 2.89Å; A575-T579 PolarHBondContact O-OG1 3Å
576L87.1Confident86Confident81 Ų8188.5 Ų88.542%0.42446%0.459SS..Hα-helixtrans-74-45.9-179-71.8175.9000112.8M467 V572 L573 T579 L580M467-L576 HydrophobicContact CE-CD2 4.4Å; V572-L576 HydrophobicContact CG1-CD1 3.71Å; V572-L576 HydrophobicContact CG1-CG 4.22Å; V572-L576 WeakPolarHBondContact O-CG 3.42Å; V572-L576 PolarHBondContact O-N 3.5Å; L573-L576 PolarHBondContact O-N 2.74Å; L576-T579 WeakPolarHBondContact O-CB 3.47Å; L576-T579 PolarHBondContact O-N 2.81Å; L576-T579 VanDerWaalsContact O-N 3.07Å; L576-L580 WeakPolarHBondContact O-CB 3.34Å; L576-L580 PolarHBondContact O-N 3.15Å
577L87.8Confident86.1Confident54 Ų5485.8 Ų85.828%0.28345%0.448SS..Hα-helixtrans-57.9-45.3-174.4-73.6172.3000114.1L573 T579 R581 I604 V608L573-L577 HydrophobicContact CD2-CD1 3.86Å; L573-L577 HydrophobicContact CG-CD1 3.79Å; L573-L577 HydrophobicContact CG-CG 4.18Å; L573-L577 WeakPolarHBondContact O-CG 3.42Å; L573-L577 PolarHBondContact O-N 3.02Å; L577-T579 VanDerWaalsContact C-N 3.32Å; L577-T579 PolarHBondContact O-N 3.33Å; L577-R581 WeakPolarHBondContact O-CB 3.26Å; L577-R581 PolarHBondContact O-N 3.17Å; L577-I604 HydrophobicContact CD2-CG2 4.3Å; L577-V608 HydrophobicContact CD1-CG2 4.39Å; L577-V608 HydrophobicContact CD2-CG2 4.14Å
578P88.4Confident86Confident78 Ų7883 Ų8351%0.50644%0.441SS..Hα-helixtrans-65.8-35.3174.9-20.934.1000112.7N574 K582N574-P578 WeakPolarHBondContact O-CD 3.48Å; N574-P578 VanDerWaalsContact O-CG 3.31Å; N574-P578 WeakPolarHBondContact O-CG 3.37Å; P578-K582 WeakPolarHBondContact O-CB 3.48Å; P578-K582 PolarHBondContact O-N 3.09Å
579T87.8Confident86.1Confident74 Ų7484.6 Ų84.645%0.45445%0.452SS..Hα-helixtrans-68.4-46.4179.6-550000111A575 L576 L577 K582 Q583A575-T579 PolarHBondContact O-OG1 3Å; L576-T579 WeakPolarHBondContact O-CB 3.47Å; L576-T579 PolarHBondContact O-N 2.81Å; L576-T579 VanDerWaalsContact O-N 3.07Å; L577-T579 VanDerWaalsContact C-N 3.32Å; L577-T579 PolarHBondContact O-N 3.33Å; T579-K582 PolarHBondContact O-N 3.25Å; T579-Q583 WeakPolarHBondContact O-CG 3.41Å; T579-Q583 PolarHBondContact O-N 3.01Å
580L87.3Confident86.2Confident46 Ų4684.9 Ų84.924%0.24146%0.461CS..Hα-helixtrans-60.1-47174.9179.165.5000111.2L576 K582 Q583 Y584 F601 I604L576-L580 WeakPolarHBondContact O-CB 3.34Å; L576-L580 PolarHBondContact O-N 3.15Å; L580-K582 VanDerWaalsContact C-N 3.34Å; L580-K582 PolarHBondContact O-N 3.36Å; L580-Q583 PolarHBondContact O-N 3.4Å; L580-Y584 WeakPolarHBondContact O-CB 3.4Å; L580-Y584 PolarHBondContact O-N 3.08Å; L580-F601 HydrophobicContact CD2-CD2 4.5Å; L580-F601 HydrophobicContact CG-CD2 4.32Å; L580-F601 HydrophobicContact CG-CE2 4.2Å; L580-I604 HydrophobicContact CD2-CD1 3.84Å; L580-I604 HydrophobicContact CD2-CG2 4.24Å
581R86.8Confident85.9Confident176 Ų17683.6 Ų83.666%0.66447%0.472SS*.Hα-helixtrans-58.9-44.2175.8-177179.1176.5-172-0.2111.7L577 Y584 C585L577-R581 WeakPolarHBondContact O-CB 3.26Å; L577-R581 PolarHBondContact O-N 3.17Å; R581-Y584 PolarHBondContact O-N 3.04Å; R581-C585 PolarHBondContact O-N 2.84Å; R581-C585 PolarHBondContact O-SG 3.04Å; R581-C585 VanDerWaalsContact O-SG 3.36Å
582K87.8Confident85.6Confident155 Ų15586.5 Ų86.567%0.67448%0.478SS*.Hα-helixtrans-61.4-45177.3-173.7178.6179.6-178.90111.5P578 T579 L580 C585 T586P578-K582 WeakPolarHBondContact O-CB 3.48Å; P578-K582 PolarHBondContact O-N 3.09Å; T579-K582 PolarHBondContact O-N 3.25Å; L580-K582 VanDerWaalsContact C-N 3.34Å; L580-K582 PolarHBondContact O-N 3.36Å; K582-C585 PolarHBondContact O-N 3.02Å; K582-T586 PolarHBondContact O-N 3.33Å; K582-T586 PolarHBondContact O-OG1 2.96Å; K582-T586 VanDerWaalsContact O-OG1 3.09Å
583Q84.6Confident85.1Confident115 Ų11584.6 Ų84.654%0.53747%0.468SS..Hα-helixtrans-64.5-42.8177.1-74179.3-22.500112.4T579 L580 C585 T586 L587T579-Q583 WeakPolarHBondContact O-CG 3.41Å; T579-Q583 PolarHBondContact O-N 3.01Å; L580-Q583 PolarHBondContact O-N 3.4Å; Q583-C585 PolarHBondContact O-N 2.97Å; Q583-T586 PolarHBondContact O-N 3.26Å; Q583-L587 WeakPolarHBondContact O-CB 3.25Å; Q583-L587 WeakPolarHBondContact O-CG 3.43Å; Q583-L587 PolarHBondContact O-N 2.86Å
584Y85.6Confident85Confident23 Ų2386.1 Ų86.19%0.0948%0.477CS..Hα-helixtrans-58.9-46.4175.1176.1-97.2000111.7L580 R581 L587 K588 F597 E598 F601L580-Y584 WeakPolarHBondContact O-CB 3.4Å; L580-Y584 PolarHBondContact O-N 3.08Å; R581-Y584 PolarHBondContact O-N 3.04Å; Y584-L587 PolarHBondContact O-N 3.43Å; Y584-K588 HydrophobicContact CE1-CD 3.96Å; Y584-K588 VanDerWaalsContact O-CB 3.3Å; Y584-K588 WeakPolarHBondContact O-CB 3.44Å; Y584-K588 PolarHBondContact O-N 3.27Å; Y584-K588 PolarHBondContact OH-NZ 3.32Å; Y584-F597 HydrophobicContact CD2-CD1 4.2Å; Y584-F597 AromaticContact CD2-CE1 3.75Å; Y584-F597 HydrophobicContact CD2-CE1 3.75Å; Y584-E598 HydrophobicContact CE2-CG 4.34Å; Y584-E598 PolarHBondContact OH-OE1 2.75Å; Y584-F601 HydrophobicContact CD1-CD1 4.13Å; Y584-F601 HydrophobicContact CD1-CD2 4.43Å; Y584-F601 AromaticContact CD1-CE1 3.84Å; Y584-F601 HydrophobicContact CD1-CE1 3.84Å; Y584-F601 HydrophobicContact CD1-CE2 4.16Å; Y584-F601 HydrophobicContact CD1-CG 4.42Å; Y584-F601 AromaticContact CD1-CZ 3.86Å; Y584-F601 HydrophobicContact CD1-CZ 3.86Å; Y584-F601 HydrophobicContact CD2-CB 3.97Å; Y584-F601 HydrophobicContact CD2-CD1 4.02Å; Y584-F601 AromaticContact CD2-CD2 3.8Å; Y584-F601 HydrophobicContact CD2-CD2 3.8Å; Y584-F601 HydrophobicContact CD2-CE2 4.3Å; Y584-F601 AromaticContact CD2-CG 3.64Å; Y584-F601 HydrophobicContact CD2-CG 3.64Å; Y584-F601 HydrophobicContact CE1-CD1 4.13Å; Y584-F601 HydrophobicContact CE1-CE1 4.03Å; Y584-F601 HydrophobicContact CE2-CB 4.11Å; Y584-F601 HydrophobicContact CE2-CD1 4.06Å; Y584-F601 AromaticContact CE2-CG 3.99Å; Y584-F601 HydrophobicContact CE2-CG 3.99Å; Y584-F601 HydrophobicContact CG-CD1 4.09Å; Y584-F601 AromaticContact CG-CD2 3.74Å; Y584-F601 HydrophobicContact CG-CD2 3.74Å; Y584-F601 HydrophobicContact CG-CE1 4.11Å; Y584-F601 AromaticContact CG-CE2 3.76Å; Y584-F601 HydrophobicContact CG-CE2 3.76Å; Y584-F601 AromaticContact CG-CG 3.91Å; Y584-F601 HydrophobicContact CG-CG 3.91Å; Y584-F601 AromaticContact CG-CZ 3.95Å; Y584-F601 HydrophobicContact CG-CZ 3.95Å
585C84.4Confident84.6Confident53 Ų5385.8 Ų85.836%0.35849%0.488SS..Hα-helixtrans-58-53.1174.4-69.30000111.5R581 K582 Q583 L587 K588 D589R581-C585 PolarHBondContact O-N 2.84Å; R581-C585 PolarHBondContact O-SG 3.04Å; R581-C585 VanDerWaalsContact O-SG 3.36Å; K582-C585 PolarHBondContact O-N 3.02Å; Q583-C585 PolarHBondContact O-N 2.97Å; C585-L587 VanDerWaalsContact C-N 3.32Å; C585-L587 PolarHBondContact O-N 2.8Å; C585-K588 PolarHBondContact O-N 3.09Å; C585-K588 VanDerWaalsContact O-N 3.11Å; C585-D589 WeakPolarHBondContact O-CB 3.11Å; C585-D589 PolarHBondContact O-N 2.98Å
586T85.9Confident84.1Confident86 Ų8686.1 Ų86.153%0.52849%0.49SS..Hα-helixtrans-58.9-39.1-179.8-55.50000113.3K582 Q583 A590K582-T586 PolarHBondContact O-N 3.33Å; K582-T586 PolarHBondContact O-OG1 2.96Å; K582-T586 VanDerWaalsContact O-OG1 3.09Å; Q583-T586 PolarHBondContact O-N 3.26Å; T586-A590 VanDerWaalsContact O-CB 3.26Å; T586-A590 WeakPolarHBondContact O-CB 3.3Å; T586-A590 PolarHBondContact O-N 3.42Å; T586-A590 VanDerWaalsContact O-N 3.09Å
587L85.6Confident83.7Confident65 Ų6585.4 Ų85.434%0.3448%0.484SS..Hα-helixtrans-69.8-35.8177.1-73.5168.9000112.6Q583 Y584 C585 G591 L592 F597Q583-L587 WeakPolarHBondContact O-CB 3.25Å; Q583-L587 WeakPolarHBondContact O-CG 3.43Å; Q583-L587 PolarHBondContact O-N 2.86Å; Y584-L587 PolarHBondContact O-N 3.43Å; C585-L587 VanDerWaalsContact C-N 3.32Å; C585-L587 PolarHBondContact O-N 2.8Å; L587-G591 PolarHBondContact O-N 3.11Å; L587-L592 HydrophobicContact CD2-CB 4.43Å; L587-L592 PolarHBondContact O-N 3.43Å; L587-F597 HydrophobicContact CD1-CE1 3.68Å; L587-F597 HydrophobicContact CD1-CZ 3.8Å
588K83.8Confident83.4Confident99 Ų9984.9 Ų84.943%0.4348%0.48SS..Hα-helixtrans-70.6-44.8176.5-170.9171.1-166.71430111.9Y584 C585 A590 G591 E598Y584-K588 HydrophobicContact CE1-CD 3.96Å; Y584-K588 VanDerWaalsContact O-CB 3.3Å; Y584-K588 WeakPolarHBondContact O-CB 3.44Å; Y584-K588 PolarHBondContact O-N 3.27Å; Y584-K588 PolarHBondContact OH-NZ 3.32Å; C585-K588 PolarHBondContact O-N 3.09Å; C585-K588 VanDerWaalsContact O-N 3.11Å; K588-A590 PolarHBondContact O-N 3.24Å; K588-G591 PolarHBondContact O-N 3.39Å; K588-E598 IonicContact NZ-OE1 3.37Å; K588-E598 PolarHBondContact NZ-OE1 3.39Å
589D84.1Confident83.2Confident138 Ų13884.5 Ų84.574%0.73848%0.479SS*.Hα-helixtrans-64.5-30.2177.2-60.5-24.2000111.5C585 G591C585-D589 WeakPolarHBondContact O-CB 3.11Å; C585-D589 PolarHBondContact O-N 2.98Å; D589-G591 VanDerWaalsContact C-N 3.33Å
590A85.1Confident82.9Confident63 Ų6385.1 Ų85.152%0.52148%0.48SS..THydrogen-bonded Turntrans-80.9-4.1172.900000114.5T586 K588 L592T586-A590 VanDerWaalsContact O-CB 3.26Å; T586-A590 WeakPolarHBondContact O-CB 3.3Å; T586-A590 PolarHBondContact O-N 3.42Å; T586-A590 VanDerWaalsContact O-N 3.09Å; K588-A590 PolarHBondContact O-N 3.24Å; A590-L592 VanDerWaalsContact C-N 3.27Å; A590-L592 HydrophobicContact CB-CD1 4.17Å; A590-L592 HydrophobicContact CB-CG 4.27Å; A590-L592 PolarHBondContact O-N 3.02Å
591G79.1Confident82.8Confident65 Ų6584 Ų8467%0.6747%0.473SS*.THydrogen-bonded Turntrans69.916.7-177.800000115.1L587 K588 D589L587-G591 PolarHBondContact O-N 3.11Å; K588-G591 PolarHBondContact O-N 3.39Å; D589-G591 VanDerWaalsContact C-N 3.33Å
592L79.7Confident82.6Confident123 Ų12380.4 Ų80.464%0.64446%0.462SS*.  trans-10114.9-175.2-64.7173.5000113.3L587 A590 N594L587-L592 HydrophobicContact CD2-CB 4.43Å; L587-L592 PolarHBondContact O-N 3.43Å; A590-L592 VanDerWaalsContact C-N 3.27Å; A590-L592 HydrophobicContact CB-CD1 4.17Å; A590-L592 HydrophobicContact CB-CG 4.27Å; A590-L592 PolarHBondContact O-N 3.02Å; L592-N594 PolarHBondContact O-N 3.45Å
593S76.6Confident82.4Confident38 Ų3878.8 Ų78.827%0.26646%0.457SS..  trans-79.4109.3-179.857.30000112.2
594N81.8Confident82.4Confident123 Ų12376.4 Ų76.466%0.65845%0.447SS*.  trans-72.8146.1170.7-73.4-19.7000111.5L592 A596 F597 E598L592-N594 PolarHBondContact O-N 3.45Å; N594-A596 PolarHBondContact O-N 3.05Å; N594-A596 VanDerWaalsContact O-N 3.17Å; N594-F597 WeakPolarHBondContact O-CB 3.33Å; N594-F597 PolarHBondContact O-N 3.14Å; N594-E598 PolarHBondContact O-N 3.24Å
595A78.8Confident82.1Confident87 Ų8780.1 Ų80.172%0.71947%0.465SS*.Hα-helixtrans-57.9-31.7-179.800000114S599A595-S599 PolarHBondContact O-N 3.01Å; A595-S599 VanDerWaalsContact O-N 3.14Å
596A77.9Confident82Confident66 Ų6682.1 Ų82.155%0.54547%0.469SS..Hα-helixtrans-64.3-48.6172.500000111.8N594 E598 S599 D600N594-A596 PolarHBondContact O-N 3.05Å; N594-A596 VanDerWaalsContact O-N 3.17Å; A596-E598 VanDerWaalsContact C-N 3.3Å; A596-E598 PolarHBondContact O-N 2.61Å; A596-S599 WeakPolarHBondContact O-CA 3.32Å; A596-S599 WeakPolarHBondContact O-CB 3.43Å; A596-S599 PolarHBondContact O-N 3.29Å; A596-D600 VanDerWaalsContact O-CG 3.28Å; A596-D600 PolarHBondContact O-N 3.25Å
597F79.9Confident81.7Confident67 Ų6783.9 Ų83.929%0.29448%0.475SS..Hα-helixtrans-63.6-34.3178.9-174.5-107.9000112.6Y584 L587 N594 S599 F601Y584-F597 HydrophobicContact CD2-CD1 4.2Å; Y584-F597 AromaticContact CD2-CE1 3.75Å; Y584-F597 HydrophobicContact CD2-CE1 3.75Å; L587-F597 HydrophobicContact CD1-CE1 3.68Å; L587-F597 HydrophobicContact CD1-CZ 3.8Å; N594-F597 WeakPolarHBondContact O-CB 3.33Å; N594-F597 PolarHBondContact O-N 3.14Å; F597-S599 VanDerWaalsContact C-N 3.31Å; F597-F601 WeakPolarHBondContact O-CB 3.35Å; F597-F601 PolarHBondContact O-N 2.8Å
598E80.8Confident81.4Confident42 Ų4284.8 Ų84.820%0.19648%0.483CS..Hα-helixtrans-68.2-27.7170.4-68.4-139.5136.900113.5Y584 K588 N594 A596 K602Y584-E598 HydrophobicContact CE2-CG 4.34Å; Y584-E598 PolarHBondContact OH-OE1 2.75Å; K588-E598 IonicContact NZ-OE1 3.37Å; K588-E598 PolarHBondContact NZ-OE1 3.39Å; N594-E598 PolarHBondContact O-N 3.24Å; A596-E598 VanDerWaalsContact C-N 3.3Å; A596-E598 PolarHBondContact O-N 2.61Å; E598-K602 VanDerWaalsContact O-CD 3.29Å; E598-K602 WeakPolarHBondContact O-CD 3.41Å; E598-K602 WeakPolarHBondContact O-CG 3.48Å; E598-K602 PolarHBondContact O-N 3.16Å; E598-K602 IonicContact OE2-NZ 3.57Å
599S84.6Confident81.1Confident71 Ų7185 Ų8550%0.49749%0.485SS..Hα-helixtrans-72.2-48.8173.6-167.50000110.7A595 A596 F597 F601 K602 E603A595-S599 PolarHBondContact O-N 3.01Å; A595-S599 VanDerWaalsContact O-N 3.14Å; A596-S599 WeakPolarHBondContact O-CA 3.32Å; A596-S599 WeakPolarHBondContact O-CB 3.43Å; A596-S599 PolarHBondContact O-N 3.29Å; F597-S599 VanDerWaalsContact C-N 3.31Å; S599-F601 VanDerWaalsContact C-N 3.33Å; S599-F601 PolarHBondContact O-N 3.19Å; S599-K602 WeakPolarHBondContact O-CB 3.43Å; S599-K602 PolarHBondContact O-N 3.3Å; S599-K602 VanDerWaalsContact O-N 3.13Å; S599-E603 PolarHBondContact O-N 2.99Å
600D82.2Confident80.5Confident86 Ų8688.9 Ų88.946%0.4649%0.49SS..Hα-helixtrans-61.3-41.3-179.8-55.3-20.5000111.4A596 E603 I604A596-D600 VanDerWaalsContact O-CG 3.28Å; A596-D600 PolarHBondContact O-N 3.25Å; D600-E603 PolarHBondContact O-N 3.33Å; D600-I604 WeakPolarHBondContact O-CG1 3.26Å; D600-I604 PolarHBondContact O-N 3.34Å; D600-I604 VanDerWaalsContact O-N 3.11Å
601F84.3Confident79.3Confident23 Ų2391.2 Ų91.210%0.10149%0.488CS..Hα-helixtrans-64.3-40175.5-172.1-92.4000112.2L580 Y584 F597 S599 I604 E605L580-F601 HydrophobicContact CD2-CD2 4.5Å; L580-F601 HydrophobicContact CG-CD2 4.32Å; L580-F601 HydrophobicContact CG-CE2 4.2Å; Y584-F601 HydrophobicContact CD1-CD1 4.13Å; Y584-F601 HydrophobicContact CD1-CD2 4.43Å; Y584-F601 AromaticContact CD1-CE1 3.84Å; Y584-F601 HydrophobicContact CD1-CE1 3.84Å; Y584-F601 HydrophobicContact CD1-CE2 4.16Å; Y584-F601 HydrophobicContact CD1-CG 4.42Å; Y584-F601 AromaticContact CD1-CZ 3.86Å; Y584-F601 HydrophobicContact CD1-CZ 3.86Å; Y584-F601 HydrophobicContact CD2-CB 3.97Å; Y584-F601 HydrophobicContact CD2-CD1 4.02Å; Y584-F601 AromaticContact CD2-CD2 3.8Å; Y584-F601 HydrophobicContact CD2-CD2 3.8Å; Y584-F601 HydrophobicContact CD2-CE2 4.3Å; Y584-F601 AromaticContact CD2-CG 3.64Å; Y584-F601 HydrophobicContact CD2-CG 3.64Å; Y584-F601 HydrophobicContact CE1-CD1 4.13Å; Y584-F601 HydrophobicContact CE1-CE1 4.03Å; Y584-F601 HydrophobicContact CE2-CB 4.11Å; Y584-F601 HydrophobicContact CE2-CD1 4.06Å; Y584-F601 AromaticContact CE2-CG 3.99Å; Y584-F601 HydrophobicContact CE2-CG 3.99Å; Y584-F601 HydrophobicContact CG-CD1 4.09Å; Y584-F601 AromaticContact CG-CD2 3.74Å; Y584-F601 HydrophobicContact CG-CD2 3.74Å; Y584-F601 HydrophobicContact CG-CE1 4.11Å; Y584-F601 AromaticContact CG-CE2 3.76Å; Y584-F601 HydrophobicContact CG-CE2 3.76Å; Y584-F601 AromaticContact CG-CG 3.91Å; Y584-F601 HydrophobicContact CG-CG 3.91Å; Y584-F601 AromaticContact CG-CZ 3.95Å; Y584-F601 HydrophobicContact CG-CZ 3.95Å; F597-F601 WeakPolarHBondContact O-CB 3.35Å; F597-F601 PolarHBondContact O-N 2.8Å; S599-F601 VanDerWaalsContact C-N 3.33Å; S599-F601 PolarHBondContact O-N 3.19Å; F601-I604 PolarHBondContact O-N 3.42Å; F601-E605 HydrophobicContact CD1-CG 4.2Å; F601-E605 HydrophobicContact CE1-CG 3.84Å; F601-E605 HydrophobicContact CZ-CG 4.48Å; F601-E605 PolarHBondContact O-N 2.99Å
602K82.6Confident77.8Confident100 Ų10097.7 Ų97.744%0.43550%0.498SS..Hα-helixtrans-65.6-37.2174.8-75.9166.8-171.1153.40112E598 S599 I604 E605 H606E598-K602 VanDerWaalsContact O-CD 3.29Å; E598-K602 WeakPolarHBondContact O-CD 3.41Å; E598-K602 WeakPolarHBondContact O-CG 3.48Å; E598-K602 PolarHBondContact O-N 3.16Å; E598-K602 IonicContact OE2-NZ 3.57Å; S599-K602 WeakPolarHBondContact O-CB 3.43Å; S599-K602 PolarHBondContact O-N 3.3Å; S599-K602 VanDerWaalsContact O-N 3.13Å; K602-I604 VanDerWaalsContact C-N 3.32Å; K602-I604 PolarHBondContact O-N 2.95Å; K602-E605 PolarHBondContact O-N 3.29Å; K602-H606 WeakPolarHBondContact O-CB 3.3Å; K602-H606 PolarHBondContact O-CD2 3.13Å; K602-H606 PolarHBondContact O-N 2.88Å
603E83.4Confident76.4Confident121 Ų12197.6 Ų97.657%0.56550%0.502SS*.Hα-helixtrans-61.2-43.2174.3-172.3174.5177.900111.1S599 D600 H606 L607S599-E603 PolarHBondContact O-N 2.99Å; D600-E603 PolarHBondContact O-N 3.33Å; E603-H606 PolarHBondContact O-N 2.84Å; E603-L607 HydrophobicContact CG-CD1 4.5Å; E603-L607 WeakPolarHBondContact O-CG 3.43Å; E603-L607 PolarHBondContact O-N 3.28Å
604I83.6Confident74.8Confident66 Ų66100.9 Ų100.934%0.33852%0.52SS..Hα-helixtrans-64.1-42.3174.8-64.6169000111.5L577 L580 D600 F601 K602 L607 V608L577-I604 HydrophobicContact CD2-CG2 4.3Å; L580-I604 HydrophobicContact CD2-CD1 3.84Å; L580-I604 HydrophobicContact CD2-CG2 4.24Å; D600-I604 WeakPolarHBondContact O-CG1 3.26Å; D600-I604 PolarHBondContact O-N 3.34Å; D600-I604 VanDerWaalsContact O-N 3.11Å; F601-I604 PolarHBondContact O-N 3.42Å; K602-I604 VanDerWaalsContact C-N 3.32Å; K602-I604 PolarHBondContact O-N 2.95Å; I604-L607 PolarHBondContact O-N 3.49Å; I604-V608 HydrophobicContact CG2-CG2 4.49Å; I604-V608 WeakPolarHBondContact O-CG2 3.38Å; I604-V608 PolarHBondContact O-N 2.98Å
605E80.4Confident73Confident100 Ų10099 Ų9947%0.46751%0.513SS..Hα-helixtrans-58.7-47.4172.4-76.4-169.7141.900111.7F601 K602 L607 V608 E609F601-E605 HydrophobicContact CD1-CG 4.2Å; F601-E605 HydrophobicContact CE1-CG 3.84Å; F601-E605 HydrophobicContact CZ-CG 4.48Å; F601-E605 PolarHBondContact O-N 2.99Å; K602-E605 PolarHBondContact O-N 3.29Å; E605-L607 VanDerWaalsContact C-N 3.3Å; E605-L607 PolarHBondContact O-N 3.43Å; E605-V608 PolarHBondContact O-N 3.42Å; E605-V608 VanDerWaalsContact O-N 3.13Å; E605-E609 WeakPolarHBondContact O-CB 3.47Å; E605-E609 WeakPolarHBondContact O-CG 3.34Å; E605-E609 PolarHBondContact O-N 3.11Å
606H82.5Confident71.1Confident95 Ų95103.4 Ų103.444%0.4451%0.511SS..Hα-helixtrans-58.7-39.1177.9-86.4-70000113K602 E603 R610 K611K602-H606 WeakPolarHBondContact O-CB 3.3Å; K602-H606 PolarHBondContact O-CD2 3.13Å; K602-H606 PolarHBondContact O-N 2.88Å; E603-H606 PolarHBondContact O-N 2.84Å; H606-R610 PolarHBondContact O-N 3.31Å; H606-K611 PolarHBondContact O-N 3.11Å
607L80.1Confident69.4Low123 Ų123104.6 Ų104.664%0.64452%0.521SS*.Hα-helixtrans-66.5-43.4174.5-71.4170.1000112E603 I604 E605 R610E603-L607 HydrophobicContact CG-CD1 4.5Å; E603-L607 WeakPolarHBondContact O-CG 3.43Å; E603-L607 PolarHBondContact O-N 3.28Å; I604-L607 PolarHBondContact O-N 3.49Å; E605-L607 VanDerWaalsContact C-N 3.3Å; E605-L607 PolarHBondContact O-N 3.43Å; L607-R610 PolarHBondContact O-N 3.32Å
608V78.9Confident67.7Low84 Ų84108.3 Ų108.351%0.50954%0.544SS..Hα-helixtrans-67.3-41178.6170.60000111.8L577 I604 E605 R610L577-V608 HydrophobicContact CD1-CG2 4.39Å; L577-V608 HydrophobicContact CD2-CG2 4.14Å; I604-V608 HydrophobicContact CG2-CG2 4.49Å; I604-V608 WeakPolarHBondContact O-CG2 3.38Å; I604-V608 PolarHBondContact O-N 2.98Å; E605-V608 PolarHBondContact O-N 3.42Å; E605-V608 VanDerWaalsContact O-N 3.13Å; V608-R610 PolarHBondContact O-N 3.3Å
609E78Confident66Low103 Ų103113.3 Ų113.348%0.48157%0.567SS.*THydrogen-bonded Turntrans-69-11.7175.7-69.7178.4115.800113.5E605 K611E605-E609 WeakPolarHBondContact O-CB 3.47Å; E605-E609 WeakPolarHBondContact O-CG 3.34Å; E605-E609 PolarHBondContact O-N 3.11Å; E609-K611 HydrophobicContact CB-CD 4.3Å; E609-K611 HydrophobicContact CB-CG 4.08Å; E609-K611 VanDerWaalsContact CD-CE 3.44Å; E609-K611 PolarHBondContact O-N 3.09Å; E609-K611 VanDerWaalsContact OE1-CE 3.3Å; E609-K611 WeakPolarHBondContact OE1-CE 3.21Å; E609-K611 IonicContact OE1-NZ 3.75Å; E609-K611 PolarHBondContact OE1-NZ 2.94Å; E609-K611 WeakPolarHBondContact OE2-CD 3.29Å; E609-K611 WeakPolarHBondContact OE2-CE 3.46Å; E609-K611 IonicContact OE2-NZ 3.19Å; E609-K611 PolarHBondContact OE2-NZ 3.24Å
610R70Confident63.9Low221 Ų221115.1 Ų115.183%0.83458%0.575SS**THydrogen-bonded Turntrans54.331.5-176.7-54.2179.2-179.1176.3-0.3113.2H606 L607 V608 K612H606-R610 PolarHBondContact O-N 3.31Å; L607-R610 PolarHBondContact O-N 3.32Å; V608-R610 PolarHBondContact O-N 3.3Å; R610-K612 PolarHBondContact O-N 2.99Å; R610-K612 VanDerWaalsContact O-N 3.16Å
611K61.2Low61.8Low111 Ų111115.6 Ų115.648%0.48359%0.591SS.*  trans-62.1117.7175.2-77.8172.6179.7157.70108.3H606 E609 V613H606-K611 PolarHBondContact O-N 3.11Å; E609-K611 HydrophobicContact CB-CD 4.3Å; E609-K611 HydrophobicContact CB-CG 4.08Å; E609-K611 VanDerWaalsContact CD-CE 3.44Å; E609-K611 PolarHBondContact O-N 3.09Å; E609-K611 VanDerWaalsContact OE1-CE 3.3Å; E609-K611 WeakPolarHBondContact OE1-CE 3.21Å; E609-K611 IonicContact OE1-NZ 3.75Å; E609-K611 PolarHBondContact OE1-NZ 2.94Å; E609-K611 WeakPolarHBondContact OE2-CD 3.29Å; E609-K611 WeakPolarHBondContact OE2-CE 3.46Å; E609-K611 IonicContact OE2-NZ 3.19Å; E609-K611 PolarHBondContact OE2-NZ 3.24Å; K611-V613 PolarHBondContact O-N 3.19Å
612K47.3Very low59.4Low202 Ų202122.7 Ų122.788%0.87863%0.625SS**  trans-64.8104.8178.7-77.1-172.3175.9-175.40110R610 V614R610-K612 PolarHBondContact O-N 2.99Å; R610-K612 VanDerWaalsContact O-N 3.16Å; K612-V614 PolarHBondContact O-N 3.16Å
613V50.6Low57Low120 Ų120125.8 Ų125.873%0.72764%0.641SS**  trans-65.7120.2162.9-178.80000107.7K611 V615K611-V613 PolarHBondContact O-N 3.19Å; V613-V615 HydrophobicContact CG1-CG2 4.14Å; V613-V615 PolarHBondContact O-N 2.91Å; V613-V615 VanDerWaalsContact O-N 3.16Å
614V42.6Very low54.5Low107 Ų107125 Ų12565%0.64865%0.646SS**  trans-81.192.4172.9178.10000107.4K612K612-V614 PolarHBondContact O-N 3.16Å
615V42.6Very low52Low83 Ų83129.3 Ų129.350%0.50366%0.662SS.*  trans-75.7121.2167.9-176.10000107.5V613 Q619 T620V613-V615 HydrophobicContact CG1-CG2 4.14Å; V613-V615 PolarHBondContact O-N 2.91Å; V613-V615 VanDerWaalsContact O-N 3.16Å; V615-Q619 HydrophobicContact CG1-CB 4.22Å; V615-T620 HydrophobicContact CG1-CG2 4.11Å
616W39.2Very low49.9Very low180 Ų180134 Ų13468%0.68268%0.684SS**  trans-73.9145.9174.4-65.383.4000109.4D618 Q619W616-D618 PolarHBondContact O-N 3.14Å; W616-Q619 PolarHBondContact O-N 3.5Å
617A42.9Very low47.5Very low91 Ų91137 Ų13775%0.75270%0.704SS**G310 helixtrans-57.9-23.4-173.900000113.4Q619A617-Q619 PolarHBondContact O-N 3Å
618D44.8Very low45.4Very low146 Ų146136.7 Ų136.778%0.78170%0.702SS**G310 helixtrans-66.3-18.9179.3-4538.1000113.3W616W616-D618 PolarHBondContact O-N 3.14Å
619Q45.3Very low43.8Very low146 Ų146135.5 Ų135.568%0.68270%0.697SS**G310 helixtrans-103.12.8-170.8-74-174-25.700115.5V615 W616 A617V615-Q619 HydrophobicContact CG1-CB 4.22Å; W616-Q619 PolarHBondContact O-N 3.5Å; A617-Q619 PolarHBondContact O-N 3Å
620T39.8Very low42.6Very low109 Ų109134 Ų13467%0.66970%0.696SS**  trans-122.582.5176.556.20000112.2V615V615-T620 HydrophobicContact CG1-CG2 4.11Å
621A37.9Very low42.1Very low96 Ų96125.7 Ų125.779%0.79368%0.678SS**  trans-128.626.516500000112.6Q623A621-Q623 PolarHBondContact O-N 3.36Å
622E34.6Very low42.2Very low172 Ų172122.8 Ų122.880%0.80467%0.668SS**  trans-74.4107157-70.5-133151.600108.4
623Q31.2Very low42.8Very low165 Ų165117.8 Ų117.877%0.77166%0.658SS**PPolyproline II helixtrans-56.3133.4166.1-72.6-81.7-9.100108.8A621 K625A621-Q623 PolarHBondContact O-N 3.36Å; Q623-K625 PolarHBondContact O-N 3.06Å
624P30.8Very low43.6Very low104 Ų104116.5 Ų116.568%0.67565%0.65SS**PPolyproline II helixtrans-59.6125.6174.825.4-32.8000109Q626P624-Q626 PolarHBondContact O-N 2.86Å
625K32.1Very low44.7Very low158 Ų158112 Ų11269%0.68762%0.622SS**PPolyproline II helixtrans-60.7139.8177.4-71.4170.9-177162.70108.1Q623 N627 D628Q623-K625 PolarHBondContact O-N 3.06Å; K625-N627 PolarHBondContact O-N 3.33Å; K625-D628 PolarHBondContact O-N 3.05Å
626Q35Very low45.7Very low199 Ų199109.5 Ų109.593%0.9361%0.606SS**THydrogen-bonded Turntrans-64.28-165.4-142.5171.316.600116P624P624-Q626 PolarHBondContact O-N 2.86Å
627N32.4Very low46.9Very low158 Ų158104.3 Ų104.385%0.84559%0.594SS**THydrogen-bonded Turntrans-123-0.4-173.1-69.8-34.2000114.3K625K625-N627 PolarHBondContact O-N 3.33Å
628D36.2Very low48Very low115 Ų115100.4 Ų100.462%0.61556%0.56SS**PPolyproline II helixtrans-72.2135.3177-80.5-45000111.6K625K625-D628 PolarHBondContact O-N 3.05Å
629P45.9Very low48.7Very low60 Ų6099 Ų9939%0.3956%0.559SS.*PPolyproline II helixtrans-65.5144.5-179.927.4-34.2000110.8F455 G631F455-P629 HydrophobicContact CD2-CB 4.46Å; F455-P629 HydrophobicContact CE2-CG 4.32Å; P629-G631 PolarHBondContact O-N 3.31Å
630P51.7Low49.4Very low72 Ų7297.5 Ų97.547%0.46855%0.552SS.*PPolyproline II helixtrans-57.8128.3-178.823.9-34.1000110.6V634 L635P630-V634 HydrophobicContact CB-CB 4.26Å; P630-V634 HydrophobicContact CB-CG1 4.25Å; P630-L635 HydrophobicContact CG-CD2 3.95Å; P630-L635 HydrophobicContact CG-CG 4.43Å
631G59.4Low50.1Low45 Ų4595.2 Ų95.246%0.46454%0.536SS..PPolyproline II helixtrans-57149.8-178.800000112.1P629 S633 V634 L635P629-G631 PolarHBondContact O-N 3.31Å; G631-S633 PolarHBondContact O-N 2.95Å; G631-V634 WeakPolarHBondContact O-CB 3.48Å; G631-V634 PolarHBondContact O-N 2.93Å; G631-L635 PolarHBondContact O-N 3.36Å
632I64.7Low50.4Low51 Ų5192.2 Ų92.226%0.26251%0.514SS..Hα-helixtrans-49.9-36.2-172-61.5171000112.5F455 Y456 V634 L635 M636F455-I632 HydrophobicContact CD1-CD1 4.5Å; F455-I632 HydrophobicContact CD1-CG1 4.26Å; F455-I632 HydrophobicContact CE1-CD1 3.71Å; F455-I632 HydrophobicContact CE1-CG1 3.7Å; F455-I632 HydrophobicContact CZ-CD1 4.14Å; F455-I632 HydrophobicContact CZ-CG1 3.87Å; Y456-I632 HydrophobicContact CE1-CD1 4.4Å; I632-V634 VanDerWaalsContact C-N 3.29Å; I632-V634 PolarHBondContact O-N 3.13Å; I632-L635 WeakPolarHBondContact O-CB 3.49Å; I632-L635 PolarHBondContact O-N 3.32Å; I632-M636 HydrophobicContact CG2-CG 4.13Å; I632-M636 VanDerWaalsContact O-CG 3.24Å; I632-M636 WeakPolarHBondContact O-CG 3.22Å; I632-M636 PolarHBondContact O-N 3.4Å; I632-M636 VanDerWaalsContact O-N 3.08Å
633S59.7Low50.3Low96 Ų9690 Ų9067%0.67152%0.515SS*.Hα-helixtrans-58.7-35.8176-164.90000113.9G631 T637G631-S633 PolarHBondContact O-N 2.95Å; S633-T637 PolarHBondContact O-N 3.34Å; S633-T637 PolarHBondContact O-OG1 3.36Å
634V65.7Low50.4Low93 Ų9388.8 Ų88.856%0.56452%0.518SS*.Hα-helixtrans-75-35.2178.2-177.30000110.8P630 G631 I632 M636P630-V634 HydrophobicContact CB-CB 4.26Å; P630-V634 HydrophobicContact CB-CG1 4.25Å; G631-V634 WeakPolarHBondContact O-CB 3.48Å; G631-V634 PolarHBondContact O-N 2.93Å; I632-V634 VanDerWaalsContact C-N 3.29Å; I632-V634 PolarHBondContact O-N 3.13Å; V634-M636 VanDerWaalsContact C-N 3.27Å; V634-M636 PolarHBondContact O-N 2.96Å
635L66.3Low50.4Low12 Ų1291.9 Ų91.96%0.06352%0.523CS..Hα-helixtrans-64.8-32.3174.3-66.1176.4000112.4E451 L452 F455 P630 G631 I632E451-L635 HydrophobicContact CB-CD2 4.05Å; L452-L635 HydrophobicContact CD1-CD1 4.47Å; F455-L635 HydrophobicContact CB-CD1 4.18Å; F455-L635 HydrophobicContact CD2-CD1 4.31Å; F455-L635 HydrophobicContact CG-CD1 4.25Å; P630-L635 HydrophobicContact CG-CD2 3.95Å; P630-L635 HydrophobicContact CG-CG 4.43Å; G631-L635 PolarHBondContact O-N 3.36Å; I632-L635 WeakPolarHBondContact O-CB 3.49Å; I632-L635 PolarHBondContact O-N 3.32Å
636M64.4Low50.1Low31 Ų3190.3 Ų90.315%0.15353%0.529CS..THydrogen-bonded Turntrans-89.7-3-176.1-65.5-63.9-70.200114.9L452 L558 A559 I632 V634L452-M636 HydrophobicContact CD2-SD 3.92Å; L558-M636 HydrophobicContact CB-CE 3.67Å; L558-M636 HydrophobicContact CB-SD 3.85Å; A559-M636 HydrophobicContact CB-CE 4.35Å; I632-M636 HydrophobicContact CG2-CG 4.13Å; I632-M636 VanDerWaalsContact O-CG 3.24Å; I632-M636 WeakPolarHBondContact O-CG 3.22Å; I632-M636 PolarHBondContact O-N 3.4Å; I632-M636 VanDerWaalsContact O-N 3.08Å; V634-M636 VanDerWaalsContact C-N 3.27Å; V634-M636 PolarHBondContact O-N 2.96Å
637T64.6Low49.8Very low71 Ų7187.7 Ų87.744%0.43652%0.52SS..  trans-95125.4-174.9-59.90000112S633S633-T637 PolarHBondContact O-N 3.34Å; S633-T637 PolarHBondContact O-OG1 3.36Å
638F66.3Low49.6Very low9 Ų986 Ų864%0.03952%0.517CS..  trans-93.7126.2162.9-68.4-88.2000109.1E444 H554 M555 L558 Q640 L641E444-F638 HydrophobicContact CG-CE1 4.28Å; H554-F638 HydrophobicContact CB-CE2 4.43Å; H554-F638 HydrophobicContact CB-CZ 4.03Å; M555-F638 HydrophobicContact CB-CE2 4.36Å; L558-F638 HydrophobicContact CD1-CE2 3.96Å; L558-F638 HydrophobicContact CD1-CZ 4.04Å; F638-Q640 PolarHBondContact O-N 3.18Å; F638-L641 PolarHBondContact O-N 3.47Å
639P59.6Low49Very low118 Ų11886.3 Ų86.377%0.76653%0.527SS*.G310 helixtrans-56.3-29.6-174.9-28.535.2000114.9L641P639-L641 VanDerWaalsContact C-N 3.3Å; P639-L641 PolarHBondContact O-N 2.73Å
640Q58.7Low48Very low113 Ų11389.3 Ų89.353%0.52855%0.549SS..G310 helixtrans-79.8-9-177.9-60.9175.223.500113.6Q551 F638Q551-Q640 VanDerWaalsContact NE2-CD 3.33Å; F638-Q640 PolarHBondContact O-N 3.18Å
641L54.3Low46.8Very low62 Ų6291 Ų9133%0.32556%0.562SS.*G310 helixtrans-114.39.5177-63.2178.6000112.6L548 Q551 I552 M555 F638 P639L548-L641 HydrophobicContact CD2-CD2 3.81Å; Q551-L641 HydrophobicContact CB-CD1 3.84Å; Q551-L641 HydrophobicContact CB-CG 4.48Å; I552-L641 HydrophobicContact CG1-CD1 4.36Å; M555-L641 HydrophobicContact SD-CD1 4.5Å; F638-L641 PolarHBondContact O-N 3.47Å; P639-L641 VanDerWaalsContact C-N 3.3Å; P639-L641 PolarHBondContact O-N 2.73Å
642G44.5Very low45.2Very low32 Ų3294.3 Ų94.333%0.3358%0.578SS.*SBendtrans-65.2148.8176.900000112.3V644G642-V644 PolarHBondContact O-N 3.14Å
643P33.1Very low43.3Very low127 Ų12797.2 Ų97.283%0.82560%0.603SS**  trans-62.7123172.426.8-33000109.6Q645P643-Q645 PolarHBondContact O-N 2.91Å
644V32.9Very low41.7Very low139 Ų13998.7 Ų98.784%0.84261%0.613SS**  trans-58.8112.2174.21790000108.3G642G642-V644 PolarHBondContact O-N 3.14Å
645Q30.1Very low39.7Very low168 Ų16898 Ų9879%0.78563%0.625SS**PPolyproline II helixtrans-64.5134.3171.7-71.7-171.4-10.100108.9P643 I647P643-Q645 PolarHBondContact O-N 2.91Å; Q645-I647 PolarHBondContact O-N 3.01Å
646P26.6Very low37.8Very low125 Ų125102.4 Ų102.481%0.81266%0.657SS**PPolyproline II helixtrans-64120175.326.4-32.8000109.3
647I28.8Very low36Very low144 Ų144107.3 Ų107.374%0.73868%0.683SS**PPolyproline II helixtrans-61.6128.1178.2-61.6171.5000108.7Q645 C649Q645-I647 PolarHBondContact O-N 3.01Å; I647-C649 PolarHBondContact O-N 3.17Å
648P27.6Very low34.1Very low122 Ų122111.2 Ų111.279%0.79270%0.701SS**  trans-73.4111.5178.228.5-33000110.9C650P648-C650 PolarHBondContact O-N 2.99Å
649C23.5Very low32.1Very low122 Ų122116.3 Ų116.382%0.82473%0.732SS**  trans-83.499.3179.2-63.10000113I647I647-C649 PolarHBondContact O-N 3.17Å
650C26.1Very low30.5Very low124 Ų124120 Ų12084%0.83874%0.737SS**  trans-152.6142.7155-81.70000106.9P648P648-C650 PolarHBondContact O-N 2.99Å
651S25.6Very low28.9Very low108 Ų108120.8 Ų120.876%0.75575%0.749SS**  cis-174.9138.40.148.20000110.2
652S25.6Very low27.7Very low114 Ų114123.7 Ų123.780%0.79777%0.772SS**  trans-174.8113.5148.445.30000115.4
653S26.1Very low26.8Very low112 Ų112127.9 Ų127.978%0.78379%0.791SS**  trans35.1119.4141.860.10000123.1
654S26.6Very low26.5Very low126 Ų126129.8 Ų129.888%0.88179%0.789SS**  -171.3156.7103.336.40000111.8
655G23.4Very low26.2Very low78 Ų78131.8 Ų131.880%0.80479%0.786SS**  trans-68.5-170.1-159.100000119
656S25.2Very low26.1Very low105 Ų105135.6 Ų135.673%0.73479%0.793SS**  cis-162.1173.94.755.50000111.9
657N26.1Very low26.2Very low134 Ų134135.4 Ų135.472%0.71779%0.79SS**  trans80.599.3158.4-61-14.8000121.6
658L25.6Very low26.3Very low153 Ų153140 Ų14080%0.80180%0.798SS**  trans44.1127.5132.2-77.386.2000121.2
659V25.4Very low26.4Very low116 Ų116145.9 Ų145.970%0.70381%0.805SS**  177.9124.694.4157.60000111.7
660K24.2Very low26.8Very low196 Ų196148.7 Ų148.785%0.85280%0.803SS**  trans53.3110.6153.8-64.8167.9-169.1175.80121.8
661T24.8Very low27Very low130 Ų130151.1 Ų151.180%0.79881%0.807SS**  trans-71.4162.1142.445.90000110.6
662P29.2Very low27.1Very low123 Ų123153 Ų15380%0.79981%0.805SS**  -146.1153.185.236.2-16.5000117.9
663T26.3Very low28Very low119 Ų119152.4 Ų152.473%0.7380%0.799SS**  trans-41.2160.416958.80000119.9
664Q26.8Very low27.9Very low168 Ų168152.4 Ų152.479%0.78580%0.799SS**  -170.5118.8117.3-100.2-177.943.600111.3
665K27.6Very low28.8Very low181 Ų181151.1 Ų151.179%0.78779%0.787SS**  77.5120.391.3-79-171-175.6173.80116.5
666R26.5Very low29Very low247 Ų247154.7 Ų154.793%0.93279%0.787SS**  trans156.6144.1135.7-89.9-174.4166.2175-2.5110.5
667T28.9Very low29.2Very low122 Ų122158.6 Ų158.675%0.74879%0.791SS**  cis-155.9137.1-32.8-38.60000107
668R30.7Very low29.2Very low239 Ų239155.9 Ų155.990%0.90279%0.794SS**  trans-86.8144.3165.9-106.8179166.7178.9-5.1109.9
669R31.1Very low29.2Very low247 Ų247156.4 Ų156.493%0.93279%0.793SS**  trans-113.5140.2152.5-87.4-172.4171.8177.9-2.2109.4
670K31.8Very low29.3Very low181 Ų181157.9 Ų157.979%0.78779%0.792SS**  trans-97158.6177.6-59.1176176.7-178.90109.6
671L29.1Very low29.4Very low175 Ų175153.2 Ų153.292%0.91678%0.78SS**  trans-138.9160137.5-91170.4000108.6
672M28.4Very low29.4Very low147 Ų147153.8 Ų153.872%0.72478%0.777SS**  trans-147.8-179.7-164-70.1-112.77900108.2
673P43.5Very low29.2Very low102 Ų102156.7 Ų156.766%0.66278%0.777SS**  cis-139175.7-45.937.9-21.7000115.2
674S25.5Very low29.2Very low112 Ų112156 Ų15678%0.78378%0.777SS**  trans71.8171.3148.8-116.90000119.1
675P43.9Very low29.6Very low98 Ų98153.4 Ų153.464%0.63678%0.775SS**  cis-138.8170.6-523.22.4000118.7
676L28.9Very low30.1Very low153 Ų153149.6 Ų149.680%0.80177%0.768SS**  trans70.7151.7156.1-62.2149.3000117.8
677K29.2Very low30Very low188 Ų188142.6 Ų142.682%0.81776%0.757SS**  cis-149.8132.35.6-131.5159.4-174.3-179.30107.1
678G26.5Very low29.7Very low76 Ų76145.1 Ų145.178%0.78476%0.761SS**  81.5150.9104.700000113.5
679Q26.1Very low29.4Very low165 Ų165138.8 Ų138.877%0.77175%0.753SS**  cis-169.5170.4-11.9-164.7171.72.600106.7
680H27.3Very low29.1Very low147 Ų147132.8 Ų132.868%0.68174%0.744SS**  trans75.8149.9166.6-63.5-68.5000119.9
681T24.6Very low28.8Very low98 Ų98131.6 Ų131.660%0.60174%0.741SS**  -179.6133.4-51.126.50000109.4
682L25.8Very low28.7Very low141 Ų141131.6 Ų131.674%0.73874%0.741SS**  trans63.2159.7159.5-75.576.7000115.1
683K24.1Very low28.7Very low185 Ų185131.1 Ų131.180%0.80474%0.742SS**  cis-156.6151.71.5-130.5165.4-179.3167.70108.9
684S26.5Very low27.8Very low104 Ų104134.3 Ų134.373%0.72775%0.753SS**  trans-94.1-171.8158.160.80000109.5
685P36.8Very low27.8Very low114 Ų114133.5 Ų133.574%0.7475%0.747SS**  cis-133.4-129.9-9.539.6-17.1000110.4
686P37.6Very low26.9Very low100 Ų100137.1 Ų137.165%0.64976%0.76SS**  -122.7-175.6-57.135.2-17.6000115
687S24Very low26.8Very low100 Ų100135.6 Ų135.670%0.69976%0.763SS**  trans67.2152.4149.657.10000120.1
688Q23.1Very low26.7Very low175 Ų175135.9 Ų135.982%0.81876%0.764SS**  cis-165.1145-7.2-118173.6-1.700109.5
689S24.1Very low26.8Very low107 Ų107140.3 Ų140.375%0.74876%0.764SS**  trans46.7155.6151.464.40000121.1
690V24.5Very low26.8Very low121 Ų121140.2 Ų140.273%0.73377%0.768SS**  cis-148.1155.229.6169.90000110.9
691Q26.1Very low26.8Very low155 Ų155141.9 Ų141.972%0.72478%0.776SS**  trans-21.1145.9167.1-57.7162.2-43.300120.2
692L26.1Very low26.9Very low176 Ų176142.8 Ų142.892%0.92178%0.784SS**  -141.6144.6110.6-88.4-177.2000109.7
693N28.2Very low27.1Very low137 Ų137143.6 Ų143.673%0.73379%0.787SS**  trans-83.8150.7177.8-66.4-38.7000111
694D25.3Very low27.3Very low168 Ų168140.7 Ų140.790%0.89879%0.785SS**  -150.8156.6122.3-132.4-25.1000112.8
695S25.7Very low27.3Very low95 Ų95143 Ų14366%0.66478%0.778SS**  trans-104.5149-162.3-59.40000114.3
696L24.4Very low26.9Very low174 Ų174142.9 Ų142.991%0.91178%0.776SS**  159.798.8125.5-84.8167.1000111.5
697S26.6Very low26.4Very low122 Ų122142.9 Ų142.985%0.85378%0.776SS**  trans-147.787.1168.461.70000111.8
698K28Very low26.5Very low193 Ų193146.9 Ų146.984%0.83978%0.784SS**  trans-161.2136.6173.4-93.3-169.9-179.6-1740103.7
699E27.4Very low26.7Very low170 Ų170144.4 Ų144.479%0.79478%0.776SS**  cis-125.9174.79.3-79.3149.2164.900109
700L26.6Very low26.8Very low163 Ų163145.6 Ų145.685%0.85378%0.783SS**  -160.9137.662.2-76160000110.7
701Q27.1Very low26.9Very low181 Ų181150.4 Ų150.485%0.84679%0.788SS**PPolyproline II helixtrans-97.8144.6169.4-70-178.1-20.800110.5
702P28Very low26.9Very low118 Ų118152.2 Ų152.277%0.76679%0.793SS**PPolyproline II helixtrans-74.8131.3168.530.7-32.1000110.6V704P702-V704 PolarHBondContact O-N 3.03Å
703I29.7Very low26.8Very low157 Ų157149.1 Ų149.181%0.80578%0.782SS**PPolyproline II helixtrans-73.6123.2178.2-62.9171.8000109.7
704V27.1Very low26.6Very low125 Ų125151.8 Ų151.876%0.75879%0.787SS**  trans-104.8132.7169176.20000108.2P702P702-V704 PolarHBondContact O-N 3.03Å
705Y26.2Very low26.5Very low151 Ų151152.4 Ų152.459%0.59279%0.785SS**  trans-133.6114.3169.1-172.2-95.1000111K533 P707K533-Y705 PolarHBondContact NZ-OH 3.36Å; Y705-P707 HydrophobicContact CE1-CB 4.41Å; Y705-P707 HydrophobicContact CE1-CG 4.26Å
706T29.2Very low26.4Very low112 Ų112155.3 Ų155.369%0.68779%0.793SS**  trans-98148.4169.337.20000110.7
707P26.9Very low27Very low100 Ų100152.3 Ų152.365%0.64978%0.784SS**  trans-128.8119.7148.731.4-17.4000112.1Y705Y705-P707 HydrophobicContact CE1-CB 4.41Å; Y705-P707 HydrophobicContact CE1-CG 4.26Å
708E26.7Very low26.9Very low185 Ų185151.7 Ų151.786%0.86478%0.78SS**  trans-71.7163.1147.7-51.8179141.800107.5
709D27.7Very low26.8Very low122 Ų122148.5 Ų148.565%0.65278%0.776SS**  cis-157152.111.2-163.8-2.6000109
710C25.3Very low26.8Very low133 Ų133146.7 Ų146.790%0.89978%0.777SS**  trans177.1115.2151.9-100.30000112.4
711R25.9Very low26.7Very low221 Ų221144.2 Ų144.283%0.83477%0.768SS**  trans-86.8148.7179.2-53.9174.6-175-175.2-0.2112.7
712K26.4Very low26.5Very low193 Ų193143.7 Ų143.784%0.83977%0.771SS**  trans-172103.8131-103.6163.9-173.5-178.60114.8
713T24.6Very low26.4Very low111 Ų111145 Ų14568%0.68177%0.769SS**  trans55114.3132.852.20000123.9
714F23.1Very low26.3Very low193 Ų193146.8 Ų146.885%0.84677%0.771SS**  trans60.3145.4140-66.3-76.4000119.9
715Q23.5Very low26.4Very low182 Ų182146 Ų14685%0.8577%0.769SS**  cis-151150.324.1-139.8166.829.700112.5
716N23.6Very low26.3Very low155 Ų155144.1 Ų144.183%0.82978%0.778SS**  trans-99.5172.7170.4-105.3-12.5000109.4
717P36.9Very low26.1Very low111 Ų111143.9 Ų143.972%0.72178%0.781SS**  cis-139.3-17135.836.4-11.1000113.9
718S26.1Very low26Very low110 Ų110149.2 Ų149.277%0.76979%0.794SS**  cis-155.5157.829.9-58.60000116.2
719T24.7Very low25.9Very low125 Ų125146.2 Ų146.277%0.76779%0.789SS**  trans-52.7158.61743.50000119.2
720V27.3Very low25.7Very low133 Ų133147 Ų14781%0.80680%0.798SS**  175.399.1122.4158.60000107.4
721T24.8Very low25.6Very low110 Ų110144.5 Ų144.568%0.67578%0.782SS**  65.911886.9-42.20000115.5
722L23.8Very low25.5Very low171 Ų171142.4 Ų142.490%0.89578%0.779SS**  trans-118128-173.8-138.8160.4000109.8
723I25.7Very low25.3Very low144 Ų144141.2 Ų141.274%0.73878%0.777SS**  trans-123.3133.1-176.7-66.3178.5000111
724K27.4Very low25.3Very low195 Ų195139.8 Ų139.885%0.84878%0.777SS**  trans-82.4147.3168-76.6178.5174175.60111.2
725P29.5Very low25.3Very low108 Ų108138.1 Ų138.170%0.70178%0.775SS**  -127.9131.9129.47.813.9000110.1
726S22.7Very low25.3Very low112 Ų112134.2 Ų134.278%0.78377%0.768SS**  68.7109.465.378.50000114.2
727S25.7Very low25.3Very low108 Ų108131.7 Ų131.776%0.75576%0.762SS**  trans-80.4144.717450.30000112.9
728F25.6Very low24.7Very low212 Ų212133.3 Ų133.393%0.9377%0.765SS**  trans-148.8159.5148.9-101-69.9000112.3
729T24Very low24.8Very low121 Ų121135.2 Ų135.274%0.74277%0.765SS**  trans-112.8147.4-165.845.60000112.9
730T24.1Very low24.8Very low139 Ų139136.1 Ų136.185%0.85377%0.765SS**  trans178.8158.2149.127.80000108.3
731S22.8Very low24.8Very low81 Ų81134.3 Ų134.357%0.56676%0.758SS**  cis176.9153.7-35.849.60000108.1
732F22.9Very low24.7Very low176 Ų176136.4 Ų136.477%0.77277%0.765SS**  trans68.3149.9164-67.7-64.7000117.5
733Q23Very low24.8Very low169 Ų169135.5 Ų135.579%0.7976%0.761SS**  cis-152.9169.2-12.1-148150.1-200111.6
734A23.9Very low24.9Very low81 Ų81134.5 Ų134.567%0.66977%0.767SS**  trans-58.5172-176.300000118
735I24Very low24.8Very low157 Ų157134.2 Ų134.281%0.80577%0.769SS**  -175.7124.9108.5-91.4161.2000114.3
736S22.8Very low24.5Very low101 Ų101139.1 Ų139.171%0.70678%0.779SS**  trans40.3146.6148.975.60000127.3
737S24.7Very low24.5Very low102 Ų102142 Ų14271%0.71378%0.782SS**  trans123.8132.7142.970.50000112.5
738N24.1Very low24.4Very low144 Ų144141.6 Ų141.677%0.7778%0.778SS**  cis-135.2164.410.9-60.4-71.5000108.6
739I27.6Very low24.2Very low150 Ų150139.6 Ų139.677%0.76977%0.772SS**  cis68.5100.435.5-56.3-172.6000116.1
740N24.7Very low24.2Very low144 Ų144140.2 Ų140.277%0.7778%0.775SS**  trans57119.5147.6-60.54.7000123.2
741S26.3Very low24.1Very low95 Ų95138.1 Ų138.166%0.66477%0.772SS**  trans-14.8144.4135.152.20000118.8
742D23.2Very low24.4Very low155 Ų155141.3 Ų141.383%0.82978%0.781SS**  -162.1163.893.9-123.1-33.6000115.8
743N25.9Very low24.9Very low152 Ų152138.6 Ų138.681%0.81378%0.781SS**  trans-93.4154.6175.6-81.9-46.3000112.3
744S27Very low25Very low122 Ų122137.8 Ų137.885%0.85378%0.777SS**  trans-177162.5131.439.40000113.6
745Q26.5Very low25.1Very low189 Ų189140.3 Ų140.388%0.88378%0.779SS**  trans-92.5163.5-166.1-56140-62.500113.8
746K23.3Very low25.1Very low211 Ų211144.1 Ų144.192%0.91778%0.784SS**  trans-159.6156.3134-115.5173.2-175.8-178.60113.1
747M21.8Very low25.2Very low172 Ų172148.9 Ų148.985%0.84779%0.786SS**  trans-120166.7179.8-84-161.273.600112.1
748C23.7Very low25.2Very low100 Ų100151.4 Ų151.468%0.67678%0.784SS**  trans91.1131.9148.7-76.70000122.7
749E22Very low25.2Very low170 Ų170152 Ų15279%0.79478%0.782SS**  trans85.5111.5137.4-72.8-178.2133.200124.5
750V24.6Very low25Very low134 Ų134150.4 Ų150.481%0.81278%0.783SS**  52.6121.3120.5-178.10000120.7
751A22.1Very low25Very low96 Ų96147.2 Ų147.279%0.79378%0.784SS**  trans-158135.3137.200000112.8
752I28.3Very low25.1Very low147 Ų147150.3 Ų150.375%0.75479%0.788SS**  trans-124.4136.3163.4-59.4168.8000106.6
753P32.9Very low25.3Very low119 Ų119152.3 Ų152.377%0.77379%0.792SS**  -142.7126.5120.625.8-6.4000112.3
754H25.9Very low25.4Very low153 Ų153151.4 Ų151.471%0.70879%0.788SS**  85.6114.773.2-98.9-39.1000118.2
755N25Very low25.6Very low133 Ų133152.8 Ų152.871%0.71178%0.784SS**  trans71.1117.6135.8-66.7-6.1000123.4
756R24.5Very low25.6Very low238 Ų238150.7 Ų150.790%0.89878%0.78SS**  174.2153.3113-92.9-178.4-178.4-169.12.7109.4
757R24.1Very low25.6Very low200 Ų200146 Ų14676%0.75577%0.773SS**  cis-175.8135.4-20.8-167.7-169.4-155-162.98.2108.9
758K25.7Very low25.8Very low155 Ų155143.4 Ų143.467%0.67477%0.767SS**  trans61.9162.2161.4-80.4162.3157.2-111.70116.2
759E24Very low25.8Very low157 Ų157147.5 Ų147.573%0.73477%0.774SS**  cis-144.4169.813.5-149.8122-124.100112.2
760C24.3Very low25.9Very low117 Ų117144 Ų14479%0.79176%0.764SS**  trans-104.7153.2176.4-175.50000110.3
761G24.7Very low25.9Very low76 Ų76144.5 Ų144.578%0.78476%0.761SS**  trans-153104.5169.700000111.4
762Q27.4Very low26.1Very low160 Ų160145.1 Ų145.175%0.74876%0.758SS**  trans-78.7155.7159.3-75.6168.9-100.800109.1
763E28.4Very low26.1Very low197 Ų197145.4 Ų145.492%0.92176%0.756SS**  -162.6147.5128.1-110163.1-147.600110.9
764D28.1Very low25.7Very low134 Ų134147.6 Ų147.672%0.71776%0.762SS**  trans-99.4-176.2-175.9-73.7-64.1000111.7
765L30.6Very low25.8Very low150 Ų150145.5 Ų145.579%0.78575%0.754SS**  trans97.4101.1153.1-53.9177.7000120.2
766D25.8Very low25.8Very low146 Ų146148.5 Ų148.578%0.78176%0.761SS**  65.3150.9115.8-70.9-14000125.1
767S24.6Very low26Very low111 Ų111141.4 Ų141.478%0.77675%0.748SS**  trans84.7140.5167.276.60000117.8
768T24.4Very low26Very low119 Ų119139 Ų13973%0.7375%0.749SS**  cis139.5123.2-13.5-81.50000108.1
769F24.3Very low26Very low186 Ų186140.4 Ų140.482%0.81676%0.755SS**  trans68.5154.3166.1-84.6-131.2000117.6
770T23.5Very low25.9Very low95 Ų95137.5 Ų137.558%0.58375%0.751SS**  cis-167.3156.5-23.218.70000110.6
771I26Very low26Very low145 Ų145141.2 Ų141.274%0.74475%0.754SS**  trans56.2113.5140.1-61.2161.3000120.7
772C24.9Very low26Very low109 Ų109144.6 Ų144.674%0.73675%0.753SS**  174121109.9-108.30000107.7
773E28.8Very low26.1Very low154 Ų154143.3 Ų143.372%0.7276%0.759SS**  76116.760.3-164.4175.3-115.500113.4I775E773-I775 HydrophobicContact CG-CD1 4.07Å; E773-I775 HydrophobicContact CG-CG1 4.08Å
774D24.9Very low25.9Very low165 Ų165142.2 Ų142.288%0.88275%0.751SS**  trans-152.6154.1147.8-144.3-18.3000111.6
775I28.5Very low25.9Very low108 Ų108144.1 Ų144.155%0.55476%0.755SS**  trans-128.4148.2-146.6-70.4165.1000113.7E773E773-I775 HydrophobicContact CG-CD1 4.07Å; E773-I775 HydrophobicContact CG-CG1 4.08Å
776K25Very low25.6Very low197 Ų197146.5 Ų146.586%0.85776%0.762SS**  trans179.898.9142.2-95.1144.7-169.1168.50110.7
777S27.8Very low25.5Very low89 Ų89144.6 Ų144.662%0.62276%0.761SS**  65.2120.183.975.50000114.3
778L24.7Very low25.6Very low149 Ų149146.6 Ų146.678%0.7876%0.762SS**  -164.2138.663.1-84.3153.9000114.2
779K24.5Very low26.1Very low184 Ų184146.4 Ų146.480%0.876%0.763SS**  34.1148.7126.7-69.3179.3-178.2172.20121.2
780C23.6Very low26.1Very low96 Ų96143.9 Ų143.965%0.64976%0.758SS**  cis-166.9141.918.4-127.70000115.8
781K25.7Very low26.3Very low196 Ų196144.7 Ų144.785%0.85276%0.759SS**  trans62.2151.1136.7-71.8-176.5176.7-172.40126
782L23.8Very low26.4Very low147 Ų147144.8 Ų144.877%0.7776%0.76SS**  trans-70175.2178.6-78.784.2000115.5
783P29.3Very low26.5Very low132 Ų132147.7 Ų147.786%0.85776%0.761SS**  -134.5172.2109.739.3-30.9000116.3
784K25.8Very low26.4Very low174 Ų174147.7 Ų147.776%0.75777%0.766SS**  trans-139.4145.7172.7-112.5-168.3179.9-173.10110.1
785Q27.7Very low26.7Very low174 Ų174146.2 Ų146.281%0.81376%0.756SS**  trans59.2115.4156.6-78.3177.7-75.400122.4
786E24.3Very low26.6Very low200 Ų200147.9 Ų147.994%0.93577%0.766SS**  trans-179.5161135.7-105169.9-152.900108.4
787S23.6Very low26.7Very low107 Ų107147.2 Ų147.275%0.74877%0.765SS**  cis-147.2-162.5-6.471.40000111.1
788L27.1Very low26.7Very low152 Ų152154.3 Ų154.380%0.79678%0.779SS**  trans-108.5159163.9-101.1163000109.9
789P33.8Very low26.7Very low115 Ų115155.4 Ų155.475%0.74779%0.785SS**  -151169.778.440-19.9000118.7
790N25.6Very low26.7Very low133 Ų133153.9 Ų153.971%0.71179%0.785SS**  trans7.9155.9148.5-79.325.9000122.2
791D27.6Very low27.6Very low113 Ų113154.8 Ų154.860%0.60479%0.79SS**  cis-160.9-179.931.6-131.2-44.3000115
792N27Very low27.6Very low146 Ų146150.9 Ų150.978%0.78179%0.787SS**  trans76.8107.3174.6-54.2-36.3000116.6
793K27.7Very low27.7Very low171 Ų171148.7 Ų148.774%0.74378%0.784SS**  cis75103.249.5-71.4-170.5174.51750116.7
794D27.4Very low27.7Very low154 Ų154152.5 Ų152.582%0.82479%0.787SS**  178.3104.3128.5-90.4-15.2000106.4
795I29.6Very low27.6Very low133 Ų133149.3 Ų149.368%0.68279%0.787SS**  60.795.967.3-47-179.9000114.3
796L27.4Very low27.6Very low144 Ų144147.1 Ų147.175%0.75479%0.786SS**  165102.2128-86.8175.3000107.8
797Q27.7Very low27.8Very low182 Ų182145.9 Ų145.985%0.8578%0.777SS**  85.8130.389.7-89.4-168.2-4.800115.6
798R26.6Very low28.1Very low238 Ų238148.8 Ų148.890%0.89878%0.779SS**  trans-48.6149.8174.7-59.6165.3171.9142.2-4.3113.2
799L25.7Very low28Very low173 Ų173147.3 Ų147.391%0.90678%0.781SS**  trans-158104.6136.1-100.4-179.6000111.3
800D24.3Very low27.9Very low152 Ų152150.1 Ų150.181%0.81379%0.786SS**  trans-108.8165.2145-88.1-45.1000106
801P42.6Very low28Very low115 Ų115149 Ų14975%0.74779%0.786SS**  cis-127.7-179-14.839.3-24.1000112.2
802S24.6Very low28Very low113 Ų113151.5 Ų151.579%0.7980%0.798SS**  179.5144.7128.147.80000114.5
803S26.7Very low28.3Very low102 Ų102150 Ų15071%0.71380%0.797SS**  trans-72.8145.7174.151.60000114.3
804F28.9Very low28.3Very low211 Ų211148 Ų14893%0.92580%0.803SS**  trans-136.8140.3141.9-93.5-78.2000110.8
805S23.9Very low28.4Very low108 Ų108148.8 Ų148.876%0.75580%0.804SS**  trans-138.9124.9-174.3165.40000110.4
806T27.4Very low28.7Very low127 Ų127148.7 Ų148.778%0.77981%0.81SS**  trans-155.7103.9161.96.20000111.8
807K29.5Very low29Very low174 Ų174147.7 Ų147.776%0.75781%0.812SS**  39.3133.9127.3-63-179.5-177-178.90118.7
808H29.1Very low29.2Very low169 Ų169144.1 Ų144.178%0.78281%0.807SS**  cis-153160.4-2.1-86.8-70.8000105.6
809S25.6Very low29.5Very low120 Ų120143 Ų14384%0.83980%0.804SS**  -168.1-173.657.861.90000112.2
810M30.3Very low29.7Very low174 Ų174143.1 Ų143.186%0.85780%0.802SS**  trans-82.2159.1-151.5-72.1-72.5-80.700117.3
811P28.9Very low30Very low110 Ų110140.4 Ų140.471%0.71480%0.801SS**  trans-93.4158.7-171.337.3-36.2000115
812I28.3Very low29.4Very low166 Ų166143.9 Ų143.985%0.85181%0.81SS**  trans-115132.2166.3-63.5178.1000108.5
813P32.2Very low29.7Very low115 Ų115144.8 Ų144.875%0.74781%0.811SS**  trans-89.1142.2-170.534.2-35.2000113.9
814S27.4Very low29.9Very low127 Ų127146.4 Ų146.489%0.88882%0.816SS**  trans-100.981.1170.247.20000111.8
815M30.3Very low29.8Very low171 Ų171141.4 Ų141.484%0.84281%0.814SS**  trans-84140.4164.4-77.9-152.57600111.8P817M815-P817 WeakPolarHBondContact O-CD 3.38Å
816V36.2Very low30.1Very low131 Ų131140.7 Ų140.779%0.79481%0.814SS**  trans-68.7134.1169.8176.50000110.4
817P33.7Very low30.2Very low123 Ų123144.9 Ų144.980%0.79982%0.822SS**  trans-106.8122.1158.6219.7000111.1M815M815-P817 WeakPolarHBondContact O-CD 3.38Å
818S30.5Very low30.1Very low107 Ų107147.9 Ų147.975%0.74883%0.828SS**  trans-84.9138.8167.8-179.20000111M820S818-M820 PolarHBondContact O-N 3.27Å
819Y33.5Very low30.3Very low214 Ų214148.7 Ų148.784%0.83983%0.83SS**SBendtrans39.470.9150-155-96000118.5
820M29.6Very low30.4Very low176 Ų176154.6 Ų154.687%0.86783%0.834SS**  trans-165.129.9155.6-104-86.487.200113S818S818-M820 PolarHBondContact O-N 3.27Å
821A31.8Very low30.3Very low95 Ų95155.2 Ų155.279%0.78583%0.832SS**  trans-127.5107.3-178.300000111.5
822M28.9Very low30.3Very low188 Ų188157.4 Ų157.493%0.92684%0.837SS**  trans178.157.3152.1-91.2-100.1-79.500112.1
823T31.2Very low30.1Very low133 Ų133155.9 Ų155.982%0.81684%0.835SS**  trans-144.4124161.1500000105.7
824T30.1Very low29.9Very low135 Ų135155.5 Ų155.583%0.82884%0.835SS**  cis-155.2158.219.650.30000110.1
825A26.8Very low29.8Very low107 Ų107154 Ų15488%0.88483%0.825SS**  trans-150.272.916900000113.1
826A29.9Very low29.6Very low92 Ų92151.5 Ų151.576%0.7682%0.819SS**  trans-167.896.7160.100000112.5
827K29.7Very low29.2Very low215 Ų215149.2 Ų149.294%0.93581%0.809SS**  trans174.5117.3142-99.9162.9-175.2179.40113.1
828R28.5Very low28.8Very low237 Ų237149.9 Ų149.989%0.89481%0.806SS**  trans-165.1138161.7-105.3175.9-172.6-170.32.6104.7
829K33.3Very low28.7Very low187 Ų187150.8 Ų150.881%0.81381%0.807SS**  cis-150.3160.214.6-87.9171.9173.4175.60109.9
830R27.5Very low28.3Very low243 Ų243145 Ų14592%0.91780%0.798SS**  -172.9130.5114.1-98.8172-167.5-174.95.7111.7
831K28.3Very low28.2Very low188 Ų188143.4 Ų143.482%0.81779%0.792SS**  trans34.8120.1155.1-68.6-171.6171.3-1750119.6
832L28.2Very low27.9Very low156 Ų156144.8 Ų144.882%0.81779%0.791SS**  62.3127.386.1-80.7158.1000112.2
833T25.5Very low27.9Very low133 Ų133140 Ų14082%0.81678%0.782SS**  cis-123.8-178.52650.60000111.9
834S26.2Very low27.6Very low108 Ų108140.8 Ų140.876%0.75578%0.781SS**  cis-147.716918.358.60000114.1
835S26.4Very low27.6Very low96 Ų96140.9 Ų140.967%0.67178%0.775SS**  trans-61.5172.9166.259.10000112
836T26.1Very low27.5Very low118 Ų118142.6 Ų142.672%0.72477%0.769SS**  cis-162.5125.724.4-12.90000106.5
837S27.4Very low27.4Very low83 Ų83143.8 Ų143.858%0.5877%0.772SS**  93.9144.794.868.20000116.2
838N26.5Very low27.3Very low136 Ų136136.2 Ų136.273%0.72776%0.755SS**  trans93.9110153.2-61-10000119.8
839T26.6Very low27.3Very low127 Ų127135.3 Ų135.378%0.77976%0.758SS**  48144.5128.949.60000120.9
840S25.9Very low27.2Very low91 Ų91130 Ų13064%0.63675%0.749SS**  cis-178.6164.20.344.40000111.3
841L27.7Very low27.5Very low143 Ų143128 Ų12875%0.74975%0.747SS**  trans68.9107.9144.9-74.9164.4000121.3
842T25.8Very low27.5Very low125 Ų125130.1 Ų130.177%0.76775%0.75SS**  65.6146.4123.955.20000124.7
843A27.9Very low27.6Very low88 Ų88128.7 Ų128.773%0.72775%0.747SS**  trans909214700000119.6
844D26.5Very low27.8Very low149 Ų149132.9 Ų132.980%0.79775%0.748SS**  48.9132.6110.5-83.9-23.2000123.4
845I28.5Very low28Very low137 Ų137137.2 Ų137.270%0.70376%0.756SS**  trans87.3133.7138-69166.9000120.1
846N26Very low28.2Very low142 Ų142138.6 Ų138.676%0.75976%0.756SS**  trans86.1106.7155.2-80.3-14.9000123.5
847S26.6Very low28.4Very low117 Ų117139.6 Ų139.682%0.81876%0.757SS**  64.5132.212073.90000122.5
848G27.2Very low28.7Very low57 Ų57141.2 Ų141.259%0.58877%0.768SS**  trans150.8107.5136.400000118.3
849F28.7Very low28.9Very low217 Ų217139.7 Ų139.795%0.95277%0.769SS**  trans58.4156.6145.7-58.8-85.9000120
850A31.2Very low29.1Very low76 Ų76140.6 Ų140.663%0.62877%0.769SS**  cis-169164.1-25.600000111.2
851K33.8Very low29.4Very low200 Ų200144.2 Ų144.287%0.8777%0.773SS**  trans46.4120.1153.9-66.7170.4-178.4177.10119
852R28.9Very low29.4Very low234 Ų234144.9 Ų144.988%0.88377%0.772SS**  cis86.1130.345.1-163-146.2-82.8-165.5-4.3114
853V30.3Very low29.6Very low125 Ų125146 Ų14676%0.75877%0.772SS**  trans114.7132.7153.8-171.30000117.3
854R29.9Very low29.6Very low222 Ų222150.2 Ų150.284%0.83878%0.777SS**  trans-52.8168.8177.9-56.2168.5172.9170.1-5.2116.4
855Q30.7Very low29.7Very low198 Ų198151.5 Ų151.593%0.92578%0.778SS**  trans-141.4141.2153.7-155.2169.116.400110.3
856D30.2Very low29.7Very low125 Ų125152.9 Ų152.967%0.66879%0.787SS**  trans-123.1144.4-178.4-92.2-45.3000111.1
857N31.2Very low29.8Very low139 Ų139155.5 Ų155.574%0.74379%0.792SS**  trans64.6148.2144.8-66.5-30.9000125
858S32.3Very low30.7Very low117 Ų117155.3 Ų155.382%0.81879%0.787SS**  trans72.8152.1151.771.10000118.7
859S31.1Very low30.7Very low105 Ų105158 Ų15873%0.73479%0.792SS**  cis-169.8140-19.546.70000111.2
860D30.3Very low30.6Very low146 Ų146154.9 Ų154.978%0.78178%0.783SS**  trans40.2146.2139.9-1397.2000124.9
861K32Very low30.4Very low167 Ų167157.7 Ų157.773%0.72678%0.783SS**  trans90.7110.6156.2-64.4-168.2176.9178.10124.8
862H28.9Very low30Very low157 Ų157154.3 Ų154.373%0.72777%0.77SS**  89134.9122.8-99.2-80.4000125.1
863L29.4Very low30Very low147 Ų147152.9 Ų152.977%0.7777%0.77SS**  trans70.5148.7158.6-56.4168.3000116.2
864Q28.1Very low30Very low178 Ų178156.5 Ų156.583%0.83277%0.77SS**  cis-149.716210-155.4164-900111.3
865E28.2Very low29.9Very low175 Ų175152.7 Ų152.782%0.81877%0.766SS**  trans-74.2153.9176.8-62.1173.211300113.6
866N28Very low29.8Very low167 Ų167151.3 Ų151.389%0.89376%0.764SS**  trans-171.9119.2132.7-93.1-33.4000112.7
867K29Very low29.6Very low197 Ų197150 Ų15086%0.85776%0.763SS**  trans-98.7179.2153.8-89.5-178.9176.81770107.5
868P45.7Very low29.4Very low112 Ų112152.1 Ų152.173%0.72777%0.766SS**  cis-117.6-162.6028-3.3000110.9
869T26.2Very low29.2Very low113 Ų113152.8 Ų152.869%0.69376%0.764SS**  -175.8155.150.7-32.20000110.8
870M26.8Very low29.4Very low153 Ų153154.8 Ų154.875%0.75477%0.767SS**  trans11.1153.5148.1-65-177.3129.300121.2
871E26.9Very low30.1Very low134 Ų134153.4 Ų153.463%0.62677%0.766SS**  cis-170.7167.51.4-118-171.8138.400113
872H26.9Very low29.9Very low129 Ų129150 Ų15060%0.59776%0.763SS**  trans34.2118.4146.7-78.297.5000123.7
873K29Very low29.9Very low205 Ų205149.9 Ų149.989%0.89177%0.767SS**  -178.5101.1119.3-99164.2-176.2175.80109.4
874R29.5Very low29.9Very low201 Ų201147.9 Ų147.976%0.75876%0.761SS**  49.2105.282.4-83.3-168.7179.9178.73.1116.4
875N28Very low30Very low141 Ų141150.2 Ų150.275%0.75476%0.762SS**  48134.3127.1-57.9-4.2000121.2
876I27.5Very low30Very low169 Ų169150.8 Ų150.887%0.86776%0.762SS**  169149117.2-89.3155.3000107.6
877C26Very low30Very low97 Ų97151.5 Ų151.566%0.65576%0.757SS**  cis174.9163-25.3-1540000106.2
878K27.7Very low30Very low185 Ų185146 Ų14680%0.80476%0.757SS**  trans79.9128.5144.7-87.5173.1-176.4-177.70123.7
879V29.1Very low29.3Very low130 Ų130150.2 Ų150.279%0.78876%0.758SS**  111.2125.3126.3164.70000119.3
880N34.1Very low29.4Very low147 Ų147150.8 Ų150.879%0.78676%0.757SS**  trans-72.2166.3172.8-61.1-40.1000112.2
881P44.4Very low29.7Very low117 Ų117150.7 Ų150.776%0.7676%0.758SS**  -146.5129.9105.829.7-10.4000117.2
882S28.2Very low30Very low95 Ų95150 Ų15066%0.66477%0.768SS**  28.1145.7125.560.70000125.6
883L30.2Very low30.4Very low155 Ų155153.9 Ų153.981%0.81278%0.783SS**  trans88.4123.4141.1-69.8152.2000123.8
884V29Very low30.6Very low106 Ų106147.7 Ų147.764%0.64278%0.777SS**  87.1106.1125.5169.50000123.2
885R29.6Very low31Very low227 Ų227145.4 Ų145.486%0.85778%0.78SS**  167117.4120-95.4158.6-157.7-158.36.3109.2
886K29.3Very low31.8Very low186 Ų186146.2 Ų146.281%0.80978%0.784SS**  99.4110.463.5-92.7-162.8175.8-176.20112.8
887F28.2Very low32.6Very low182 Ų182153.2 Ų153.280%0.79880%0.799SS**  trans41.5117.1139.9-77.8-88.7000121.5
888G28.3Very low32.9Very low83 Ų83156 Ų15686%0.85681%0.806SS**  trans-128.6137.5146.500000108.9
889R30.3Very low33.2Very low200 Ų200154.5 Ų154.576%0.75581%0.807SS**  trans-123.8138.4-162.3-122.1-175.2-171.7179.72.5111.5
890N29.2Very low33.4Very low124 Ų124155.8 Ų155.866%0.66381%0.808SS**  trans70.3142.4132.6-82.39.1000124.5
891I32.4Very low33.4Very low151 Ų151156.4 Ų156.477%0.77481%0.809SS**  trans78.2114.7139.7-66.1159.7000119.1
892S32.3Very low32.7Very low119 Ų119158.8 Ų158.883%0.83281%0.812SS**  -145.5138.9105.666.80000111.9
893K36.8Very low33Very low211 Ų211163.1 Ų163.192%0.91782%0.822SS**  trans-105.4159.7168.1-74.5-179.8173.5-178.80107.9
894G31.8Very low33.2Very low75 Ų75163.6 Ų163.677%0.77382%0.823SS**  trans-177.984.9167.800000115.2
895N39.8Very low33.5Very low153 Ų153168.1 Ų168.182%0.81884%0.836SS**  trans-70175.4159.9-56.1-12.3000108.8
896L43.1Very low33.8Very low159 Ų159163.2 Ų163.283%0.83284%0.835SS**  cis-152.8149.924.3-72.386.7000110.4
897R44.6Very low34.2Very low315 Ų315161.1 Ų161.1100%1.18984%0.837SS**  -166.70101.2-107.1-174-179.9-170.60.9111.5

Retrieved 897 of 897 residues in 1407.3 ms (Link to these results)

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