A0A087XNU9_POEFO Loading...

Transcription initiation factor TFIID subunit 2

AlphaFold DB , UniProt , Accession A0A087XNU9, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 1,219 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
1M29.2Very low40.8Very low242 Ų242145.9 Ų145.9100%1.19272%0.715SS**  0132.20-71.4172.6168.700108.6
2N29.7Very low43.4Very low160 Ų160140.6 Ų140.686%0.85670%0.7SS**  trans-16052.7163.3-126.5-15.3000112.7K4N2-K4 PolarHBondContact O-N 2.88Å
3K29Very low46.1Very low212 Ų212130.8 Ų130.892%0.92265%0.65SS**  trans-72.677.1170.6-77.5-171175.4-177.40110K5K3-K5 PolarHBondContact O-N 3.2Å
4K33.6Very low48.7Very low189 Ų189124.9 Ų124.982%0.82263%0.626SS**  trans-56.2118.5148-79.9-174174.9-178.30105.7N2N2-K4 PolarHBondContact O-N 2.88Å
5K30.8Very low51.2Low193 Ų193116.9 Ų116.984%0.83959%0.586SS**  trans-59.5142.3168.6-70.4-177.9175.6-178.50107.4K3 K7K3-K5 PolarHBondContact O-N 3.2Å; K5-K7 PolarHBondContact O-N 3.47Å
6D34.8Very low53.4Low128 Ų128111.6 Ų111.668%0.68456%0.558SS**  trans-61.188.9164.2-87.1-29.6000107.6G8 K494D6-G8 PolarHBondContact O-N 2.65Å; D6-K494 IonicContact OD1-NZ 2.8Å; D6-K494 IonicContact OD2-NZ 3.23Å; D6-K494 PolarHBondContact OD2-NZ 2.95Å
7K37.5Very low55.5Low163 Ų163105.2 Ų105.271%0.70953%0.526SS*.  trans-67.1113.6153-91.7-170.3153.2-121.80105K5 E10K5-K7 PolarHBondContact O-N 3.47Å; K7-E10 IonicContact NZ-OE2 3.28Å; K7-E10 PolarHBondContact NZ-OE2 2.89Å
8G46.2Very low57.3Low58 Ų5899.7 Ų99.760%0.59850%0.499SS*.  trans-54.7152.7168.200000110D6 E10D6-G8 PolarHBondContact O-N 2.65Å; G8-E10 PolarHBondContact O-N 3Å
9F54.1Low59.1Low106 Ų10696.7 Ų96.747%0.46548%0.483SS..  trans-60.7110.6-178.4-177.6-97000110.3M351F9-M351 HydrophobicContact CB-CE 3.93Å; F9-M351 HydrophobicContact CB-SD 3.9Å; F9-M351 HydrophobicContact CD1-CE 4.47Å; F9-M351 HydrophobicContact CD1-CG 4.44Å; F9-M351 HydrophobicContact CD1-SD 4.1Å; F9-M351 HydrophobicContact CD2-SD 4.47Å; F9-M351 HydrophobicContact CG-CE 4.42Å; F9-M351 HydrophobicContact CG-SD 3.92Å
10E59.4Low60.9Low127 Ų12791.9 Ų91.959%0.59346%0.459SS*.  trans-92.4122.6173.3-68.2174.2134.900107.3K7 G8K7-E10 IonicContact NZ-OE2 3.28Å; K7-E10 PolarHBondContact NZ-OE2 2.89Å; G8-E10 PolarHBondContact O-N 3Å
11S64.9Low62.6Low27 Ų2788.3 Ų88.319%0.18944%0.442CS..  trans-54138.1176.71780000110R13 E187S11-R13 PolarHBondContact O-N 3.37Å; S11-E187 WeakPolarHBondContact CB-OE1 3.38Å; S11-E187 PolarHBondContact OG-OE1 3.13Å
12P71.6Confident65.7Low82 Ų8276.8 Ų76.853%0.53239%0.385SS..SBendtrans-68.4-3.7-179.528.6-35.2000113.5D109P12-D109 VanDerWaalsContact CG-O 3.27Å; P12-D109 WeakPolarHBondContact CG-O 3.49Å
13R78.9Confident68.8Low14 Ų1469.5 Ų69.55%0.05335%0.346CS..SBendtrans-74.4140.8176-91.9174.1-85.8-84-12.3112.8S11 F15 T45 P108 V182 S186 E187S11-R13 PolarHBondContact O-N 3.37Å; R13-F15 WeakPolarHBondContact CB-O 3.37Å; R13-F15 HydrophobicContact CG-CZ 4.46Å; R13-F15 PolarHBondContact O-N 2.96Å; R13-F15 VanDerWaalsContact O-N 3.12Å; R13-T45 PolarHBondContact O-OG1 2.9Å; R13-P108 PolarHBondContact NH1-O 2.84Å; R13-P108 PolarHBondContact NH2-O 2.83Å; R13-V182 VanDerWaalsContact NH1-CG1 3.28Å; R13-S186 PolarHBondContact NH2-OG 2.95Å; R13-E187 IonicContact CZ-OE1 2.68Å; R13-E187 VanDerWaalsContact CZ-OE1 3.3Å; R13-E187 IonicContact NE-OE1 3.45Å; R13-E187 PolarHBondContact NE-OE1 3.47Å; R13-E187 IonicContact NE-OE2 3.67Å; R13-E187 VanDerWaalsContact NH2-CG 3.32Å; R13-E187 IonicContact NH2-OE1 2.66Å; R13-E187 PolarHBondContact NH2-OE1 3.2Å
14P82.6Confident72Confident48 Ų4859.4 Ų59.431%0.31230%0.303SS..SBendtrans-76.814.117332.6-34.7000114.1T45 V46 L49P14-T45 WeakPolarHBondContact CA-OG1 3.39Å; P14-T45 PolarHBondContact O-N 3.4Å; P14-T45 PolarHBondContact O-OG1 2.79Å; P14-V46 HydrophobicContact CB-CG1 4.24Å; P14-V46 HydrophobicContact CB-CG2 3.51Å; P14-L49 HydrophobicContact CB-CD1 3.96Å; P14-L49 HydrophobicContact CG-CD1 3.81Å
15F86.1Confident74.6Confident4 Ų454 Ų542%0.01828%0.283CS..EExtended strand (participates in β ladder)trans-157.3163.2176.560.7-93.6000110.6R13 L17 I42 F43 T45 L49 I52 V182R13-F15 WeakPolarHBondContact CB-O 3.37Å; R13-F15 HydrophobicContact CG-CZ 4.46Å; R13-F15 PolarHBondContact O-N 2.96Å; R13-F15 VanDerWaalsContact O-N 3.12Å; F15-L17 HydrophobicContact CE2-CD2 4.41Å; F15-I42 HydrophobicContact CB-CG2 3.58Å; F15-I42 HydrophobicContact CD2-CG2 3.68Å; F15-I42 HydrophobicContact CG-CG2 3.78Å; F15-F43 CarbonylContact C-O 3.54Å; F15-F43 VanDerWaalsContact CA-O 3.29Å; F15-F43 WeakPolarHBondContact CA-O 3.12Å; F15-F43 WeakPolarHBondContact CB-O 3.28Å; F15-T45 PolarHBondContact N-OG1 2.79Å; F15-L49 HydrophobicContact CB-CD2 4.01Å; F15-L49 HydrophobicContact CD1-CD1 4.09Å; F15-L49 HydrophobicContact CD1-CD2 4.35Å; F15-I52 HydrophobicContact CE1-CG2 4.11Å; F15-I52 HydrophobicContact CZ-CG2 4.01Å; F15-V182 HydrophobicContact CE2-CG2 4.23Å; F15-V182 HydrophobicContact CZ-CG2 4.5Å
16K86.6Confident77.2Confident32 Ų3247.5 Ų47.514%0.13926%0.257CS..EExtended strand (participates in β ladder)trans-119.2148.4168.5-71.2-178.4176.4179.80110.9F43 T45 S479 H480K16-F43 PolarHBondContact N-O 2.88Å; K16-F43 PolarHBondContact O-N 2.92Å; K16-T45 HydrophobicContact CD-CG2 4.45Å; K16-T45 HydrophobicContact CG-CG2 4.03Å; K16-S479 WeakPolarHBondContact CD-OG 3.39Å; K16-S479 PolarHBondContact NZ-O 3Å; K16-H480 PolarHBondContact NZ-CD2 3.24Å; K16-H480 VanDerWaalsContact NZ-CD2 3.32Å; K16-H480 PolarHBondContact NZ-CE1 2.91Å; K16-H480 PolarHBondContact NZ-NE2 3.41Å; K16-H480 VanDerWaalsContact NZ-NE2 3.17Å
17L88.4Confident79.8Confident4 Ų442.4 Ų42.42%0.02123%0.23CC..EExtended strand (participates in β ladder)trans-87155.3164.9-61.8-176.9000110.4F15 L40 I42 V182 C189F15-L17 HydrophobicContact CE2-CD2 4.41Å; L17-L40 HydrophobicContact CD1-CD2 4.3Å; L17-L40 HydrophobicContact CD2-CB 4.32Å; L17-L40 HydrophobicContact CD2-CD2 4.2Å; L17-I42 HydrophobicContact CD2-CD1 4.24Å; L17-I42 HydrophobicContact CD2-CG1 3.79Å; L17-V182 HydrophobicContact CD1-CB 3.87Å; L17-V182 HydrophobicContact CD1-CG2 3.78Å; L17-V182 HydrophobicContact CG-CG2 4.45Å; L17-C189 HydrophobicContact CB-CB 4.19Å
18T88Confident82.3Confident5 Ų536.6 Ų36.63%0.03121%0.206CC..EExtended strand (participates in β ladder)trans-137.9-43.5179.651.90000113.1T41 F43 T190T18-T41 PolarHBondContact N-O 2.92Å; T18-T41 PolarHBondContact OG1-O 2.78Å; T18-T41 VanDerWaalsContact OG1-O 3.05Å; T18-F43 HydrophobicContact CG2-CD2 3.43Å; T18-F43 VanDerWaalsContact CG2-CD2 3.43Å; T18-F43 HydrophobicContact CG2-CE2 3.64Å; T18-F43 HydrophobicContact CG2-CG 4.21Å; T18-F43 WeakPolarHBondContact OG1-CD2 3.35Å; T18-F43 VanDerWaalsContact OG1-CE2 3.29Å; T18-F43 WeakPolarHBondContact OG1-CE2 3.47Å; T18-T190 PolarHBondContact O-N 2.83Å; T18-T190 PolarHBondContact O-OG1 3.3Å
19H92Very high84.2Confident43 Ų4334.8 Ų34.820%0.19918%0.182CC..EExtended strand (participates in β ladder)trans-139.3139.8175.8-169.564.2000110.2T41 T190H19-T41 VanDerWaalsContact O-CB 3.3Å; H19-T41 WeakPolarHBondContact O-CB 3.48Å; H19-T41 PolarHBondContact O-N 3.09Å; H19-T41 PolarHBondContact O-OG1 3.43Å; H19-T190 CarbonylContact C-O 3.44Å; H19-T190 VanDerWaalsContact CA-O 3.31Å; H19-T190 WeakPolarHBondContact CA-O 3.37Å; H19-T190 PolarHBondContact ND1-O 3.43Å; H19-T190 PolarHBondContact ND1-OG1 3.02Å
20Q94.3Very high85.7Confident1 Ų137.6 Ų37.61%0.00520%0.196CC..EExtended strand (participates in β ladder)trans-127.8135.5171.6-73.1-175.387.400110.3E39 L40 C189 T190 W191 K192Q20-E39 CarbonylContact C-O 3.59Å; Q20-E39 VanDerWaalsContact CA-O 3.29Å; Q20-E39 WeakPolarHBondContact CA-O 3.1Å; Q20-L40 HydrophobicContact CG-CD2 4.49Å; Q20-L40 HydrophobicContact CG-CG 4.22Å; Q20-C189 PolarHBondContact NE2-SG 3.34Å; Q20-T190 PolarHBondContact N-O 2.76Å; Q20-W191 HydrophobicContact CB-CD2 4.17Å; Q20-W191 HydrophobicContact CB-CE3 3.6Å; Q20-W191 HydrophobicContact CB-CH2 4.14Å; Q20-W191 HydrophobicContact CB-CZ3 3.58Å; Q20-W191 VanDerWaalsContact CD-CH2 3.45Å; Q20-W191 HydrophobicContact CG-CH2 4.36Å; Q20-W191 HydrophobicContact CG-CZ3 4.25Å; Q20-W191 WeakPolarHBondContact O-CA 3.42Å; Q20-K192 PolarHBondContact O-N 2.89Å
21V95.9Very high87Confident17 Ų1740.2 Ų40.210%0.10320%0.201CC..EExtended strand (participates in β ladder)trans-107.6124.8169.4-171.10000107.9V38 E39 K192V21-V38 CarbonylContact O-C 3.58Å; V21-V38 VanDerWaalsContact O-CA 3.25Å; V21-V38 WeakPolarHBondContact O-CA 3.42Å; V21-V38 WeakPolarHBondContact O-CG2 3.41Å; V21-E39 HydrophobicContact CB-CB 4.08Å; V21-E39 HydrophobicContact CB-CG 4.49Å; V21-E39 HydrophobicContact CG2-CB 4.33Å; V21-E39 PolarHBondContact N-O 3.12Å; V21-E39 PolarHBondContact O-N 3.4Å; V21-K192 CarbonylContact C-O 3.58Å; V21-K192 VanDerWaalsContact CA-O 3.28Å; V21-K192 WeakPolarHBondContact CA-O 3.27Å; V21-K192 HydrophobicContact CG1-CB 4.24Å; V21-K192 HydrophobicContact CG1-CD 4.16Å; V21-K192 HydrophobicContact CG1-CG 4.46Å; V21-K192 HydrophobicContact CG2-CB 4.24Å
22V95.5Very high88.2Confident0 Ų042.4 Ų42.40%021%0.207CC..EExtended strand (participates in β ladder)trans-115.9120172.4-178.20000108I24 V38 F179 W191 K192 L193 E194V22-I24 HydrophobicContact CG1-CG1 4.5Å; V22-V38 HydrophobicContact CG2-CG2 4.11Å; V22-F179 HydrophobicContact CG1-CD1 4.47Å; V22-F179 HydrophobicContact CG2-CD2 4.09Å; V22-F179 HydrophobicContact CG2-CE1 4.25Å; V22-F179 HydrophobicContact CG2-CE2 3.66Å; V22-F179 HydrophobicContact CG2-CZ 3.77Å; V22-W191 HydrophobicContact CG2-CE3 4.05Å; V22-W191 HydrophobicContact CG2-CZ3 3.78Å; V22-K192 PolarHBondContact N-O 3.1Å; V22-L193 HydrophobicContact CB-CD2 3.84Å; V22-L193 HydrophobicContact CG2-CD2 4.01Å; V22-L193 WeakPolarHBondContact O-CA 3.19Å; V22-E194 PolarHBondContact O-N 2.9Å
23C95.4Very high89.2Confident6 Ų639 Ų394%0.04119%0.185CC..EExtended strand (participates in β ladder)trans-124.4118.2-178.2-1700000110.2N25 G36 Y37 E194C23-N25 PolarHBondContact SG-OD1 3.18Å; C23-N25 VanDerWaalsContact SG-OD1 3.41Å; C23-G36 CarbonylContact O-C 3.47Å; C23-G36 WeakPolarHBondContact O-CA 3.3Å; C23-Y37 HydrophobicContact CB-CD1 3.9Å; C23-Y37 HydrophobicContact CB-CD2 4.36Å; C23-Y37 HydrophobicContact CB-CE1 3.35Å; C23-Y37 HydrophobicContact CB-CE2 3.9Å; C23-Y37 HydrophobicContact CB-CG 4.36Å; C23-Y37 PolarHBondContact N-O 2.82Å; C23-Y37 PolarHBondContact O-N 3.07Å; C23-Y37 VanDerWaalsContact SG-CE1 3.57Å; C23-E194 CarbonylContact C-O 3.58Å; C23-E194 WeakPolarHBondContact CA-O 3.14Å; C23-E194 HydrophobicContact CB-CB 4.21Å; C23-E194 PolarHBondContact SG-OE2 2.88Å
24I94.4Very high89.9Confident1 Ų138.4 Ų38.41%0.00518%0.183CC..EExtended strand (participates in β ladder)trans-107108.2178.1-57.7-175.5000108.5V22 I27 V34 W178 E194 F195 T196 L238V22-I24 HydrophobicContact CG1-CG1 4.5Å; I24-I27 HydrophobicContact CG2-CD1 4.18Å; I24-I27 HydrophobicContact CG2-CG1 3.63Å; I24-V34 HydrophobicContact CD1-CG1 4.13Å; I24-V34 HydrophobicContact CG1-CG1 4.48Å; I24-V34 HydrophobicContact CG2-CG1 3.51Å; I24-W178 HydrophobicContact CD1-CZ2 4.1Å; I24-E194 PolarHBondContact N-O 3.44Å; I24-F195 HydrophobicContact CB-CD1 4.07Å; I24-F195 HydrophobicContact CD1-CD1 3.84Å; I24-F195 HydrophobicContact CD1-CE1 3.74Å; I24-F195 HydrophobicContact CG1-CD1 3.99Å; I24-F195 HydrophobicContact CG1-CE1 4.08Å; I24-T196 WeakPolarHBondContact O-CB 3.25Å; I24-T196 PolarHBondContact O-N 3.43Å; I24-L238 HydrophobicContact CD1-CD2 3.87Å
25N88.3Confident90.4Very high75 Ų7539 Ų3940%0.40118%0.183SC..EExtended strand (participates in β ladder)trans-81.7-27.5-173.8-64.6-25.1000112.4C23 I35C23-N25 PolarHBondContact SG-OD1 3.18Å; C23-N25 VanDerWaalsContact SG-OD1 3.41Å; N25-I35 PolarHBondContact N-O 2.9Å
26N85.8Confident90.8Very high57 Ų5738.8 Ų38.831%0.30518%0.182SC..EExtended strand (participates in β ladder)trans-153.9122.8-176.9-156.621.6000112V34 I35 K220N26-V34 WeakPolarHBondContact O-CA 3.33Å; N26-I35 PolarHBondContact N-O 3.31Å; N26-I35 PolarHBondContact O-N 2.8Å; N26-K220 PolarHBondContact OD1-NZ 3.01Å
27I90Very high91.3Very high20 Ų2039.4 Ų39.410%0.10318%0.184CC..EExtended strand (participates in β ladder)trans-109.3121.7166.4-60.9-177.7000107.2I24 F29 V34 F150 V166 V197 L238 V240I24-I27 HydrophobicContact CG2-CD1 4.18Å; I24-I27 HydrophobicContact CG2-CG1 3.63Å; I27-F29 HydrophobicContact CG2-CE2 4.3Å; I27-F29 HydrophobicContact CG2-CZ 4.39Å; I27-V34 HydrophobicContact CG1-CG1 4.46Å; I27-F150 HydrophobicContact CG2-CE1 3.97Å; I27-F150 HydrophobicContact CG2-CZ 4.17Å; I27-V166 HydrophobicContact CG2-CG1 3.97Å; I27-V197 HydrophobicContact CD1-CG1 4.14Å; I27-L238 HydrophobicContact CD1-CD2 4.33Å; I27-V240 HydrophobicContact CD1-CG2 3.91Å
28N89.1Confident91.6Very high41 Ų4139.2 Ų39.222%0.21918%0.183CC..EExtended strand (participates in β ladder)trans-117.2101.8-176.4-174.1-29.4000110.7Q30 R31 K32 S33N28-Q30 VanDerWaalsContact C-N 3.35Å; N28-Q30 PolarHBondContact O-N 2.75Å; N28-Q30 WeakPolarHBondContact OD1-CB 3.46Å; N28-Q30 PolarHBondContact OD1-N 2.75Å; N28-R31 HydrophobicContact CB-CB 4.5Å; N28-R31 PolarHBondContact O-N 3.28Å; N28-R31 PolarHBondContact OD1-N 3.42Å; N28-K32 VanDerWaalsContact O-CA 3.26Å; N28-K32 WeakPolarHBondContact O-CA 3.42Å; N28-K32 PolarHBondContact O-N 2.61Å; N28-S33 PolarHBondContact N-O 3.33Å; N28-S33 PolarHBondContact O-N 3.07Å
29F86.9Confident92Very high21 Ų2141.3 Ų41.39%0.09219%0.192CC..THydrogen-bonded Turntrans-63.9-33178.2-68.7-81.5000113.8I27 K32 F150 V152 M159 V166 M201 V240I27-F29 HydrophobicContact CG2-CE2 4.3Å; I27-F29 HydrophobicContact CG2-CZ 4.39Å; F29-K32 PolarHBondContact O-N 2.73Å; F29-F150 AromaticContact CD1-CD1 3.93Å; F29-F150 HydrophobicContact CD1-CD1 3.93Å; F29-F150 HydrophobicContact CD1-CE1 4.15Å; F29-F150 HydrophobicContact CE1-CD1 4.31Å; F29-F150 HydrophobicContact CE1-CE1 4.42Å; F29-V152 HydrophobicContact CD1-CG2 4.34Å; F29-M159 HydrophobicContact CB-SD 4.35Å; F29-V166 HydrophobicContact CE1-CB 3.95Å; F29-V166 HydrophobicContact CE1-CG1 3.77Å; F29-V166 HydrophobicContact CZ-CG1 3.83Å; F29-M201 HydrophobicContact CE2-CE 4.35Å; F29-M201 HydrophobicContact CE2-CG 4.5Å; F29-V240 HydrophobicContact CZ-CG1 4.4Å
30Q85.4Confident92.1Very high164 Ų16439.3 Ų39.377%0.76618%0.183SC*.THydrogen-bonded Turntrans-69.6-39179.7-66.9-180-14.900112.4N28 M159N28-Q30 VanDerWaalsContact C-N 3.35Å; N28-Q30 PolarHBondContact O-N 2.75Å; N28-Q30 WeakPolarHBondContact OD1-CB 3.46Å; N28-Q30 PolarHBondContact OD1-N 2.75Å; Q30-M159 HydrophobicContact CG-CE 3.78Å
31R87.4Confident92Very high182 Ų18240.3 Ų40.369%0.68719%0.19SC*.THydrogen-bonded Turntrans-91.9-6.5176.8-66.3-170.5177.4-166.2-0.9113.4N28 S33N28-R31 HydrophobicContact CB-CB 4.5Å; N28-R31 PolarHBondContact O-N 3.28Å; N28-R31 PolarHBondContact OD1-N 3.42Å; R31-S33 VanDerWaalsContact C-N 3.27Å; R31-S33 PolarHBondContact O-N 2.59Å
32K90.1Very high91.8Very high74 Ų7439.5 Ų39.532%0.32219%0.185SC..THydrogen-bonded Turntrans46.251.4-167.9-58.6-171177.3-156.20110.9N28 F29 Q143 P144 F150N28-K32 VanDerWaalsContact O-CA 3.26Å; N28-K32 WeakPolarHBondContact O-CA 3.42Å; N28-K32 PolarHBondContact O-N 2.61Å; F29-K32 PolarHBondContact O-N 2.73Å; K32-Q143 HydrophobicContact CB-CG 4.44Å; K32-Q143 WeakPolarHBondContact O-CA 3.37Å; K32-Q143 PolarHBondContact O-N 3.12Å; K32-P144 VanDerWaalsContact O-CD 3.25Å; K32-P144 WeakPolarHBondContact O-CD 3.34Å; K32-F150 HydrophobicContact CB-CB 4.17Å; K32-F150 HydrophobicContact CB-CD1 4.31Å; K32-F150 HydrophobicContact CB-CD2 4.07Å; K32-F150 HydrophobicContact CB-CG 3.96Å; K32-F150 HydrophobicContact CD-CB 3.75Å; K32-F150 HydrophobicContact CD-CG 4.47Å; K32-F150 HydrophobicContact CG-CB 3.91Å; K32-F150 HydrophobicContact CG-CD1 4.34Å; K32-F150 HydrophobicContact CG-CG 4.12Å; K32-F150 PolarHBondContact NZ-O 3.35Å
33S92.4Very high91.4Very high10 Ų1043.3 Ų43.37%0.0720%0.202CC..EExtended strand (participates in β ladder)trans-131.3154.7-175.870.10000113.8N28 R31 L141 D142N28-S33 PolarHBondContact N-O 3.33Å; N28-S33 PolarHBondContact O-N 3.07Å; R31-S33 VanDerWaalsContact C-N 3.27Å; R31-S33 PolarHBondContact O-N 2.59Å; S33-L141 CarbonylContact C-O 3.56Å; S33-L141 WeakPolarHBondContact CA-O 3.44Å; S33-L141 WeakPolarHBondContact CB-O 3.45Å; S33-D142 WeakPolarHBondContact CB-OD1 3.32Å
34V93.3Very high91Very high1 Ų143.6 Ų43.61%0.00620%0.203CC..EExtended strand (participates in β ladder)trans-134.3135.5-176.1-176.60000109I24 N26 I27 S140 L141 L148 F150I24-V34 HydrophobicContact CD1-CG1 4.13Å; I24-V34 HydrophobicContact CG1-CG1 4.48Å; I24-V34 HydrophobicContact CG2-CG1 3.51Å; N26-V34 WeakPolarHBondContact O-CA 3.33Å; I27-V34 HydrophobicContact CG1-CG1 4.46Å; V34-S140 CarbonylContact O-C 3.52Å; V34-S140 VanDerWaalsContact O-CA 3.27Å; V34-S140 WeakPolarHBondContact O-CA 3.3Å; V34-L141 HydrophobicContact CB-CB 4.35Å; V34-L141 PolarHBondContact N-O 3.11Å; V34-L141 PolarHBondContact O-N 2.76Å; V34-L148 HydrophobicContact CG2-CD1 3.76Å; V34-F150 HydrophobicContact CG2-CE2 4.08Å; V34-F150 HydrophobicContact CG2-CZ 3.72Å
35I93.9Very high90.4Very high60 Ų6046.6 Ų46.631%0.30822%0.222SC..EExtended strand (participates in β ladder)trans-129.4131.8175.5-53.3177.4000109.1N25 N26N25-I35 PolarHBondContact N-O 2.9Å; N26-I35 PolarHBondContact N-O 3.31Å; N26-I35 PolarHBondContact O-N 2.8Å
36G94.4Very high90.2Very high1 Ų146 Ų461%0.0122%0.221CC..EExtended strand (participates in β ladder)trans-165.7-175.2-178.200000113.5C23 F139C23-G36 CarbonylContact O-C 3.47Å; C23-G36 WeakPolarHBondContact O-CA 3.3Å; G36-F139 PolarHBondContact N-O 2.81Å; G36-F139 VanDerWaalsContact N-O 3.15Å; G36-F139 PolarHBondContact O-N 3.39Å
37Y95.6Very high89.8Confident45 Ų4547.2 Ų47.218%0.17623%0.23CC..EExtended strand (participates in β ladder)trans-137.1159.2172.567.6-87000111.1C23 E39 Y136 I137C23-Y37 HydrophobicContact CB-CD1 3.9Å; C23-Y37 HydrophobicContact CB-CD2 4.36Å; C23-Y37 HydrophobicContact CB-CE1 3.35Å; C23-Y37 HydrophobicContact CB-CE2 3.9Å; C23-Y37 HydrophobicContact CB-CG 4.36Å; C23-Y37 PolarHBondContact N-O 2.82Å; C23-Y37 PolarHBondContact O-N 3.07Å; C23-Y37 VanDerWaalsContact SG-CE1 3.57Å; Y37-E39 HydrophobicContact CD2-CG 4.25Å; Y37-E39 HydrophobicContact CE2-CG 4.16Å; Y37-Y136 HydrophobicContact CD1-CE2 4.38Å; Y37-Y136 AromaticContact CD2-CD2 3.85Å; Y37-Y136 HydrophobicContact CD2-CD2 3.85Å; Y37-Y136 AromaticContact CD2-CE2 3.26Å; Y37-Y136 HydrophobicContact CD2-CE2 3.26Å; Y37-Y136 AromaticContact CD2-CZ 3.94Å; Y37-Y136 HydrophobicContact CE2-CD2 4.41Å; Y37-Y136 AromaticContact CE2-CE2 3.82Å; Y37-Y136 HydrophobicContact CE2-CE2 3.82Å; Y37-Y136 HydrophobicContact CG-CD2 4.48Å; Y37-Y136 AromaticContact CG-CE2 3.6Å; Y37-Y136 HydrophobicContact CG-CE2 3.6Å; Y37-Y136 AromaticContact CG-CZ 3.76Å; Y37-I137 CarbonylContact C-O 3.48Å; Y37-I137 WeakPolarHBondContact CA-O 3.43Å; Y37-I137 WeakPolarHBondContact CB-O 3.34Å
38V96.2Very high89.2Confident0 Ų050.8 Ų50.80%025%0.249CC..EExtended strand (participates in β ladder)trans-127.8131.7173.156.80000109.9V21 V22 L40 Y136 I137 F139 F179V21-V38 CarbonylContact O-C 3.58Å; V21-V38 VanDerWaalsContact O-CA 3.25Å; V21-V38 WeakPolarHBondContact O-CA 3.42Å; V21-V38 WeakPolarHBondContact O-CG2 3.41Å; V22-V38 HydrophobicContact CG2-CG2 4.11Å; V38-L40 HydrophobicContact CG1-CD1 4.03Å; V38-L40 HydrophobicContact CG2-CD1 3.87Å; V38-L40 HydrophobicContact CG2-CG 4.18Å; V38-Y136 WeakPolarHBondContact O-CA 3.01Å; V38-I137 HydrophobicContact CG1-CB 3.88Å; V38-I137 PolarHBondContact N-O 3.1Å; V38-I137 PolarHBondContact O-N 3.43Å; V38-F139 HydrophobicContact CB-CE1 4.42Å; V38-F139 HydrophobicContact CG1-CE1 4.25Å; V38-F179 HydrophobicContact CB-CD2 4.34Å; V38-F179 HydrophobicContact CG2-CD2 4.09Å; V38-F179 HydrophobicContact CG2-CE2 4.29Å
39E95.7Very high88.9Confident48 Ų4849.3 Ų49.322%0.22424%0.241CC..EExtended strand (participates in β ladder)trans-103.8122.1167.9-58.4-161.2171.200110.1Q20 V21 Y37 K134 V135 Y136Q20-E39 CarbonylContact C-O 3.59Å; Q20-E39 VanDerWaalsContact CA-O 3.29Å; Q20-E39 WeakPolarHBondContact CA-O 3.1Å; V21-E39 HydrophobicContact CB-CB 4.08Å; V21-E39 HydrophobicContact CB-CG 4.49Å; V21-E39 HydrophobicContact CG2-CB 4.33Å; V21-E39 PolarHBondContact N-O 3.12Å; V21-E39 PolarHBondContact O-N 3.4Å; Y37-E39 HydrophobicContact CD2-CG 4.25Å; Y37-E39 HydrophobicContact CE2-CG 4.16Å; E39-K134 IonicContact OE2-NZ 3.88Å; E39-K134 PolarHBondContact OE2-NZ 2.98Å; E39-V135 CarbonylContact C-O 3.55Å; E39-V135 WeakPolarHBondContact CA-O 3.27Å; E39-Y136 HydrophobicContact CG-CD2 4.01Å
40L94.4Very high88.8Confident1 Ų151.3 Ų51.31%0.00525%0.253CS..EExtended strand (participates in β ladder)trans-106.6123.7175-57.592.6000110L17 Q20 V38 I42 L54 K134 V135 I137L17-L40 HydrophobicContact CD1-CD2 4.3Å; L17-L40 HydrophobicContact CD2-CB 4.32Å; L17-L40 HydrophobicContact CD2-CD2 4.2Å; Q20-L40 HydrophobicContact CG-CD2 4.49Å; Q20-L40 HydrophobicContact CG-CG 4.22Å; V38-L40 HydrophobicContact CG1-CD1 4.03Å; V38-L40 HydrophobicContact CG2-CD1 3.87Å; V38-L40 HydrophobicContact CG2-CG 4.18Å; L40-I42 HydrophobicContact CB-CD1 4.38Å; L40-I42 HydrophobicContact CB-CG1 4.13Å; L40-L54 HydrophobicContact CD1-CD1 4.36Å; L40-L54 HydrophobicContact CD2-CD1 4.25Å; L40-L54 HydrophobicContact CD2-CD2 3.86Å; L40-K134 WeakPolarHBondContact O-CA 3.47Å; L40-V135 HydrophobicContact CB-CB 4.42Å; L40-V135 PolarHBondContact N-O 2.76Å; L40-V135 PolarHBondContact O-N 3.25Å; L40-I137 HydrophobicContact CD1-CD1 3.99Å; L40-I137 HydrophobicContact CD1-CG1 4.46Å
41T92.6Very high89Confident23 Ų2350 Ų5014%0.14124%0.241CC..EExtended strand (participates in β ladder)trans-93.6102.3174.7-54.80000109.6T18 H19 F43 V132T18-T41 PolarHBondContact N-O 2.92Å; T18-T41 PolarHBondContact OG1-O 2.78Å; T18-T41 VanDerWaalsContact OG1-O 3.05Å; H19-T41 VanDerWaalsContact O-CB 3.3Å; H19-T41 WeakPolarHBondContact O-CB 3.48Å; H19-T41 PolarHBondContact O-N 3.09Å; H19-T41 PolarHBondContact O-OG1 3.43Å; T41-F43 HydrophobicContact CG2-CE2 4.22Å; T41-V132 HydrophobicContact CG2-CG1 3.5Å
42I90.2Very high89.1Confident0 Ų041.3 Ų41.30%021%0.208CC..EExtended strand (participates in β ladder)trans-104.4130.9-170-50.3-165.2000110.6F15 L17 L40 I52 V132 L133 V135F15-I42 HydrophobicContact CB-CG2 3.58Å; F15-I42 HydrophobicContact CD2-CG2 3.68Å; F15-I42 HydrophobicContact CG-CG2 3.78Å; L17-I42 HydrophobicContact CD2-CD1 4.24Å; L17-I42 HydrophobicContact CD2-CG1 3.79Å; L40-I42 HydrophobicContact CB-CD1 4.38Å; L40-I42 HydrophobicContact CB-CG1 4.13Å; I42-I52 HydrophobicContact CD1-CD1 4.14Å; I42-I52 HydrophobicContact CD1-CG2 3.97Å; I42-V132 WeakPolarHBondContact O-CA 3.36Å; I42-L133 HydrophobicContact CB-CB 4.48Å; I42-L133 PolarHBondContact N-O 2.98Å; I42-L133 PolarHBondContact O-N 2.86Å; I42-V135 HydrophobicContact CD1-CB 4.36Å; I42-V135 HydrophobicContact CD1-CG2 3.52Å; I42-V135 HydrophobicContact CG1-CG2 4.16Å
43F87.8Confident89.2Confident80 Ų8041.2 Ų41.235%0.35121%0.208SC..EExtended strand (participates in β ladder)trans-106.4112.4169.5-78.7-110000108.9F15 K16 T18 T41 V132F15-F43 CarbonylContact C-O 3.54Å; F15-F43 VanDerWaalsContact CA-O 3.29Å; F15-F43 WeakPolarHBondContact CA-O 3.12Å; F15-F43 WeakPolarHBondContact CB-O 3.28Å; K16-F43 PolarHBondContact N-O 2.88Å; K16-F43 PolarHBondContact O-N 2.92Å; T18-F43 HydrophobicContact CG2-CD2 3.43Å; T18-F43 VanDerWaalsContact CG2-CD2 3.43Å; T18-F43 HydrophobicContact CG2-CE2 3.64Å; T18-F43 HydrophobicContact CG2-CG 4.21Å; T18-F43 WeakPolarHBondContact OG1-CD2 3.35Å; T18-F43 VanDerWaalsContact OG1-CE2 3.29Å; T18-F43 WeakPolarHBondContact OG1-CE2 3.47Å; T41-F43 HydrophobicContact CG2-CE2 4.22Å; F43-V132 HydrophobicContact CD1-CG2 4.07Å; F43-V132 HydrophobicContact CD2-CG1 4.24Å; F43-V132 HydrophobicContact CD2-CG2 4.3Å; F43-V132 HydrophobicContact CE1-CG2 3.56Å; F43-V132 HydrophobicContact CE2-CG1 3.95Å; F43-V132 HydrophobicContact CE2-CG2 3.81Å; F43-V132 HydrophobicContact CG-CG2 4.43Å; F43-V132 HydrophobicContact CZ-CG1 4.4Å; F43-V132 HydrophobicContact CZ-CG2 3.42Å; F43-V132 VanDerWaalsContact CZ-CG2 3.42Å
44P86.4Confident89.2Confident11 Ų1140.8 Ų40.87%0.07120%0.204CC..EExtended strand (participates in β ladder)trans-59.3138.2172.3-21.933.5000111.3L49 L130 K131 L133P44-L49 HydrophobicContact CB-CD2 3.97Å; P44-L49 HydrophobicContact CG-CD2 4.03Å; P44-L130 HydrophobicContact CB-CD2 4.2Å; P44-K131 VanDerWaalsContact CD-O 3.29Å; P44-K131 WeakPolarHBondContact CD-O 3.31Å; P44-L133 HydrophobicContact CG-CD1 4.31Å; P44-L133 HydrophobicContact CG-CG 4.43Å
45T83.3Confident89.1Confident65 Ų6540.8 Ų40.840%0.39920%0.204SC..SBendtrans-104.6-8.4171.157.30000112.4R13 P14 F15 K16R13-T45 PolarHBondContact O-OG1 2.9Å; P14-T45 WeakPolarHBondContact CA-OG1 3.39Å; P14-T45 PolarHBondContact O-N 3.4Å; P14-T45 PolarHBondContact O-OG1 2.79Å; F15-T45 PolarHBondContact N-OG1 2.79Å; K16-T45 HydrophobicContact CD-CG2 4.45Å; K16-T45 HydrophobicContact CG-CG2 4.03Å
46V83.9Confident89Confident62 Ų6237.9 Ų37.938%0.37619%0.19SC..SBendtrans-131.8148.2176.8-52.20000111.2P14P14-V46 HydrophobicContact CB-CG1 4.24Å; P14-V46 HydrophobicContact CB-CG2 3.51Å
47V77Confident88.7Confident83 Ų8338.2 Ų38.250%0.50319%0.191SC..SBendtrans-66.9149168-168.60000108.8D128V47-D128 HydrophobicContact CG1-CB 3.93Å; V47-D128 WeakPolarHBondContact CG1-OD1 3.48Å
48N77.7Confident88.3Confident94 Ų9438.2 Ų38.250%0.50319%0.192SC..  trans60.746.8-173.8-60.5-100.1000115.6N50 D128N48-N50 VanDerWaalsContact C-N 3.29Å; N48-N50 PolarHBondContact O-N 2.99Å; N48-D128 WeakPolarHBondContact CA-OD1 3.46Å; N48-D128 PolarHBondContact N-OD1 2.93Å
49L82.6Confident88Confident10 Ų1038.5 Ų38.55%0.05220%0.195CC..  trans-70.179.7173-177.662000112P14 F15 P44 I52 V119P14-L49 HydrophobicContact CB-CD1 3.96Å; P14-L49 HydrophobicContact CG-CD1 3.81Å; F15-L49 HydrophobicContact CB-CD2 4.01Å; F15-L49 HydrophobicContact CD1-CD1 4.09Å; F15-L49 HydrophobicContact CD1-CD2 4.35Å; P44-L49 HydrophobicContact CB-CD2 3.97Å; P44-L49 HydrophobicContact CG-CD2 4.03Å; L49-I52 HydrophobicContact CD2-CG1 4.36Å; L49-I52 HydrophobicContact CG-CG1 4.47Å; L49-V119 VanDerWaalsContact O-CG2 3.23Å; L49-V119 WeakPolarHBondContact O-CG2 3.28Å
50N85.1Confident87.9Confident63 Ų6343.7 Ų43.734%0.33721%0.212SC..  trans-82.6-21.3-172.8-66.2-22.4000114.7N48 V119N48-N50 VanDerWaalsContact C-N 3.29Å; N48-N50 PolarHBondContact O-N 2.99Å; N50-V119 PolarHBondContact O-N 2.78Å
51R88.5Confident87.8Confident136 Ų13644.7 Ų44.751%0.51322%0.217SC..EExtended strand (participates in β ladder)trans-140.7126.3-176.6-63.6178.574.9178.82.8110.7V116 I117R51-V116 HydrophobicContact CB-CG1 4.13Å; R51-I117 WeakPolarHBondContact CA-O 3.33Å
52I90.2Very high87.8Confident0 Ų048.8 Ų48.80%023%0.231CC..EExtended strand (participates in β ladder)trans-102.4127.8172.5-61.7160.3000106.9F15 I42 L49 L54 V116 I117 V119 V135F15-I52 HydrophobicContact CE1-CG2 4.11Å; F15-I52 HydrophobicContact CZ-CG2 4.01Å; I42-I52 HydrophobicContact CD1-CD1 4.14Å; I42-I52 HydrophobicContact CD1-CG2 3.97Å; L49-I52 HydrophobicContact CD2-CG1 4.36Å; L49-I52 HydrophobicContact CG-CG1 4.47Å; I52-L54 HydrophobicContact CG2-CD2 4.29Å; I52-L54 HydrophobicContact CG2-CG 4.26Å; I52-V116 CarbonylContact O-C 3.57Å; I52-V116 WeakPolarHBondContact O-CA 3.27Å; I52-I117 HydrophobicContact CB-CB 4.45Å; I52-I117 PolarHBondContact N-O 3.09Å; I52-I117 PolarHBondContact O-N 2.68Å; I52-V119 HydrophobicContact CD1-CG2 3.66Å; I52-V119 HydrophobicContact CG1-CG2 3.98Å; I52-V135 HydrophobicContact CD1-CG2 3.95Å
53K92.1Very high87.9Confident73 Ų7353 Ų5332%0.31725%0.247SC..EExtended strand (participates in β ladder)trans-105.2134.9173-55.1-174.7-156.51520109.2G111 N112 L115 V116K53-G111 WeakPolarHBondContact CD-O 3.46Å; K53-G111 PolarHBondContact NZ-O 2.87Å; K53-N112 PolarHBondContact NZ-OD1 3.48Å; K53-L115 CarbonylContact C-O 3.44Å; K53-L115 WeakPolarHBondContact CA-O 3.49Å; K53-V116 HydrophobicContact CG-CG1 4.15Å; K53-V116 HydrophobicContact CG-CG2 4.14Å
54L92.6Very high88.2Confident0 Ų049.3 Ų49.30%023%0.231CC..EExtended strand (participates in β ladder)trans-130.6158.9174.7-60.4176.2000109L40 I52 G113 E114 L115 I117 I137 V182L40-L54 HydrophobicContact CD1-CD1 4.36Å; L40-L54 HydrophobicContact CD2-CD1 4.25Å; L40-L54 HydrophobicContact CD2-CD2 3.86Å; I52-L54 HydrophobicContact CG2-CD2 4.29Å; I52-L54 HydrophobicContact CG2-CG 4.26Å; L54-G113 CarbonylContact O-C 3.53Å; L54-E114 PolarHBondContact O-N 3.43Å; L54-L115 HydrophobicContact CB-CB 4.42Å; L54-L115 HydrophobicContact CB-CD2 4.48Å; L54-L115 PolarHBondContact N-O 2.86Å; L54-L115 PolarHBondContact O-N 3.37Å; L54-I117 HydrophobicContact CD1-CD1 3.82Å; L54-I137 HydrophobicContact CD1-CD1 3.37Å; L54-V182 HydrophobicContact CD2-CG2 3.58Å
55N92.1Very high88.5Confident1 Ų152.3 Ų52.31%0.00524%0.241CC..BIsolated β-bridgetrans-96.5133.1174.1-55.8103.6000110.9V106 P108 G113 E114 R176 P180 C181 D183N55-V106 PolarHBondContact ND2-O 3.27Å; N55-P108 WeakPolarHBondContact OD1-CB 2.93Å; N55-G113 WeakPolarHBondContact ND2-CA 3.25Å; N55-E114 WeakPolarHBondContact CA-OE2 3.38Å; N55-E114 WeakPolarHBondContact CB-OE2 3.4Å; N55-E114 PolarHBondContact ND2-OE2 2.77Å; N55-R176 HydrophobicContact CB-CB 3.92Å; N55-R176 PolarHBondContact ND2-NH1 3.36Å; N55-R176 VanDerWaalsContact ND2-NH1 3.16Å; N55-P180 WeakPolarHBondContact O-CA 3.39Å; N55-C181 WeakPolarHBondContact CA-O 3.28Å; N55-C181 WeakPolarHBondContact CB-O 3.38Å; N55-C181 PolarHBondContact N-O 2.91Å; N55-C181 PolarHBondContact O-N 2.78Å; N55-D183 HydrophobicContact CB-CB 3.75Å; N55-D183 PolarHBondContact OD1-N 2.98Å; N55-D183 VanDerWaalsContact OD1-N 3.17Å
56S90.4Very high88.9Confident0 Ų049.2 Ų49.20%022%0.222CC..  trans-160.6136.8178.9179.80000108.3C59 Y75 E114 R176S56-C59 WeakPolarHBondContact OG-CB 3.36Å; S56-Y75 WeakPolarHBondContact O-CE2 3.26Å; S56-E114 VanDerWaalsContact O-CB 3.29Å; S56-E114 WeakPolarHBondContact O-CB 3.36Å; S56-E114 WeakPolarHBondContact O-CG 3.38Å; S56-R176 CarbonylContact C-O 3.54Å; S56-R176 WeakPolarHBondContact CA-O 3.31Å
57K87.9Confident89Confident7 Ų748.4 Ų48.43%0.0322%0.215CC..SBendtrans-138.7146.3170.9-69.4-166.6177.9-168.80110.1C59 D77 T79 E114 R176 F177 W954K57-C59 PolarHBondContact O-N 2.95Å; K57-C59 PolarHBondContact O-SG 2.71Å; K57-D77 VanDerWaalsContact CD-OD2 3.22Å; K57-D77 WeakPolarHBondContact CD-OD2 3.47Å; K57-D77 VanDerWaalsContact CE-OD2 3.28Å; K57-D77 WeakPolarHBondContact CE-OD2 3.37Å; K57-D77 WeakPolarHBondContact CG-OD2 3.48Å; K57-D77 IonicContact NZ-OD1 2.84Å; K57-D77 PolarHBondContact NZ-OD1 2.95Å; K57-D77 IonicContact NZ-OD2 3.86Å; K57-T79 PolarHBondContact NZ-OG1 2.99Å; K57-E114 WeakPolarHBondContact CE-OE1 3.41Å; K57-E114 HydrophobicContact CG-CG 4.31Å; K57-E114 WeakPolarHBondContact CG-OE1 3.5Å; K57-R176 HydrophobicContact CB-CG 4.43Å; K57-R176 HydrophobicContact CG-CG 4.29Å; K57-R176 PolarHBondContact N-O 2.95Å; K57-F177 HydrophobicContact CB-CD1 3.55Å; K57-F177 HydrophobicContact CB-CE1 3.6Å; K57-F177 HydrophobicContact CD-CE1 3.92Å; K57-F177 HydrophobicContact CD-CZ 4.27Å; K57-F177 HydrophobicContact CG-CE1 4.37Å; K57-W954 HydrophobicContact CD-CH2 3.81Å; K57-W954 HydrophobicContact CD-CZ2 4.26Å; K57-W954 VanDerWaalsContact NZ-CH2 3.27Å
58Q87.7Confident89.4Confident45 Ų4550.5 Ų50.521%0.2122%0.223CC..SBendtrans57.7-15.1-177.2100.5-158.4-3100116.7R60 Y75 L141 K145 G146 F177 H952Q58-R60 PolarHBondContact O-N 3.35Å; Q58-Y75 PolarHBondContact N-OH 2.88Å; Q58-L141 HydrophobicContact CG-CD2 3.44Å; Q58-L141 VanDerWaalsContact CG-CD2 3.44Å; Q58-K145 VanDerWaalsContact OE1-N 3.07Å; Q58-G146 PolarHBondContact NE2-O 2.87Å; Q58-F177 PolarHBondContact NE2-O 3.18Å; Q58-H952 PolarHBondContact OE1-ND1 3.38Å
59C90.2Very high90Very high7 Ų749 Ų495%0.04722%0.215CC..  trans-66.8127.2175.6-570000110.9S56 K57 I61 L141S56-C59 WeakPolarHBondContact OG-CB 3.36Å; K57-C59 PolarHBondContact O-N 2.95Å; K57-C59 PolarHBondContact O-SG 2.71Å; C59-I61 HydrophobicContact CB-CD1 4.31Å; C59-I61 PolarHBondContact O-N 2.81Å; C59-L141 HydrophobicContact CB-CD2 4.38Å
60R92.6Very high90.4Very high157 Ų15754.1 Ų54.159%0.59224%0.239SC*.EExtended strand (participates in β ladder)trans-85108.1170.2-177.8-178.8-173.61623.6108.9Q58 F139 S140Q58-R60 PolarHBondContact O-N 3.35Å; R60-F139 CarbonylContact O-C 3.57Å; R60-F139 VanDerWaalsContact O-CA 3.26Å; R60-F139 WeakPolarHBondContact O-CA 3.42Å; R60-S140 PolarHBondContact N-O 3.2Å; R60-S140 PolarHBondContact O-N 3.18Å
61I93.6Very high90.7Very high22 Ų2251.3 Ų51.311%0.11322%0.224CC..EExtended strand (participates in β ladder)trans-76.5124175.4-48-54.3000109.2C59 V64 F73 L115 I137 F139 P180C59-I61 HydrophobicContact CB-CD1 4.31Å; C59-I61 PolarHBondContact O-N 2.81Å; I61-V64 HydrophobicContact CG2-CG2 3.74Å; I61-F73 HydrophobicContact CB-CE2 3.95Å; I61-F73 HydrophobicContact CB-CZ 3.9Å; I61-F73 HydrophobicContact CG1-CE2 4.42Å; I61-F73 HydrophobicContact CG2-CE1 4.06Å; I61-F73 HydrophobicContact CG2-CE2 4.1Å; I61-F73 HydrophobicContact CG2-CZ 3.79Å; I61-L115 HydrophobicContact CD1-CD2 4.32Å; I61-L115 HydrophobicContact CG1-CD1 4.4Å; I61-L115 HydrophobicContact CG1-CD2 4.44Å; I61-I137 HydrophobicContact CD1-CG2 4.09Å; I61-I137 HydrophobicContact CG2-CG2 3.99Å; I61-F139 HydrophobicContact CD1-CB 4.18Å; I61-P180 HydrophobicContact CD1-CG 3.55Å
62Y91.4Very high90.9Very high109 Ų10948.4 Ų48.443%0.42722%0.223SC..EExtended strand (participates in β ladder)trans-88.5-47.7173.2-71.7-64.4000111.8E138 S140Y62-E138 HydrophobicContact CD2-CG 4.28Å; Y62-E138 PolarHBondContact N-O 3.2Å; Y62-S140 PolarHBondContact OH-OG 3.47Å
63R92.6Very high91Very high89 Ų8952 Ų5234%0.33624%0.239SC..EExtended strand (participates in β ladder)trans-152.1145.6-172.9-159.6175.4-172.8-166.52111.4R65 E70 E138R63-R65 HydrophobicContact CG-CG 4.35Å; R63-E70 IonicContact CZ-OE2 3.55Å; R63-E70 IonicContact NE-OE1 3.05Å; R63-E70 IonicContact NE-OE2 3.03Å; R63-E70 PolarHBondContact NE-OE2 3.17Å; R63-E70 IonicContact NH2-OE2 2.65Å; R63-E70 PolarHBondContact NH2-OE2 2.84Å; R63-E138 HydrophobicContact CB-CB 4.39Å; R63-E138 PolarHBondContact O-N 3.07Å
64V95.1Very high91Very high2 Ų251.5 Ų51.51%0.01224%0.239CC..EExtended strand (participates in β ladder)trans-127.5129.4172.9-179.20000108.8I61 A71 F73 I117 V135 Y136 I137I61-V64 HydrophobicContact CG2-CG2 3.74Å; V64-A71 HydrophobicContact CG1-CB 4.21Å; V64-A71 PolarHBondContact O-N 2.79Å; V64-F73 HydrophobicContact CB-CD1 4.12Å; V64-F73 HydrophobicContact CG2-CB 4.21Å; V64-F73 HydrophobicContact CG2-CD1 3.55Å; V64-F73 HydrophobicContact CG2-CE1 4.09Å; V64-F73 HydrophobicContact CG2-CG 3.97Å; V64-I117 HydrophobicContact CG1-CD1 3.68Å; V64-I117 HydrophobicContact CG1-CG1 3.94Å; V64-I117 HydrophobicContact CG1-CG2 3.77Å; V64-V135 HydrophobicContact CG1-CG1 4.37Å; V64-Y136 WeakPolarHBondContact CA-O 3.36Å; V64-I137 HydrophobicContact CG1-CG1 4.38Å; V64-I137 HydrophobicContact CG2-CG1 4.44Å; V64-I137 HydrophobicContact CG2-CG2 4.27Å
65R93.1Very high90.9Very high74 Ų7455.1 Ų55.128%0.27925%0.253SS..EExtended strand (participates in β ladder)trans-128.2145.8175.3-54.8177.677.2176.3-0.2110.2R63 D68 L69 V135 Y136R63-R65 HydrophobicContact CG-CG 4.35Å; R65-D68 PolarHBondContact NE-O 3.41Å; R65-D68 PolarHBondContact NH2-O 3.01Å; R65-L69 CarbonylContact C-O 3.27Å; R65-L69 WeakPolarHBondContact CA-O 3.4Å; R65-L69 WeakPolarHBondContact CB-O 3.49Å; R65-V135 CarbonylContact O-C 3.49Å; R65-V135 WeakPolarHBondContact O-CA 3.33Å; R65-Y136 PolarHBondContact N-O 2.88Å; R65-Y136 PolarHBondContact O-N 2.89Å
66V91.3Very high90.6Very high0 Ų060.2 Ų60.20%028%0.281CS..EExtended strand (participates in β ladder)trans-128.9119.2175.1-174.40000107.5D68 L69 A71 I117 L123 L133 K134 V135V66-D68 VanDerWaalsContact C-N 3.3Å; V66-D68 PolarHBondContact O-N 2.89Å; V66-L69 PolarHBondContact N-O 2.9Å; V66-L69 PolarHBondContact O-N 2.99Å; V66-A71 HydrophobicContact CG2-CB 3.73Å; V66-I117 HydrophobicContact CG2-CG2 4.25Å; V66-L123 HydrophobicContact CB-CD1 4.06Å; V66-L123 HydrophobicContact CG1-CD1 3.78Å; V66-L123 WeakPolarHBondContact O-CD1 3.4Å; V66-L133 HydrophobicContact CG1-CB 4.43Å; V66-K134 VanDerWaalsContact CA-O 3.31Å; V66-K134 WeakPolarHBondContact CA-O 3.21Å; V66-V135 HydrophobicContact CG1-CG2 4.42Å; V66-V135 HydrophobicContact CG2-CG1 4.36Å; V66-V135 HydrophobicContact CG2-CG2 4.2Å
67N86.4Confident90.3Very high45 Ų4561.3 Ų61.324%0.24129%0.286CS..THydrogen-bonded Turntrans42.257.1-171.1-66.5-0.2000111.6L69 L123 Q126 K134N67-L69 PolarHBondContact O-N 2.87Å; N67-L123 HydrophobicContact CB-CD1 4.07Å; N67-L123 HydrophobicContact CB-CD2 4.26Å; N67-Q126 PolarHBondContact ND2-OE1 2.79Å; N67-K134 PolarHBondContact N-O 3.49Å; N67-K134 PolarHBondContact OD1-N 2.87Å
68D84.6Confident89.9Confident126 Ų12663.7 Ų63.767%0.67430%0.302SS*.THydrogen-bonded Turntrans62.8-17.9-175.7-62.7-61000117.9R65 V66R65-D68 PolarHBondContact NE-O 3.41Å; R65-D68 PolarHBondContact NH2-O 3.01Å; V66-D68 VanDerWaalsContact C-N 3.3Å; V66-D68 PolarHBondContact O-N 2.89Å
69L89.3Confident89.4Confident62 Ų6261.6 Ų61.633%0.32529%0.293SS..EExtended strand (participates in β ladder)trans-74.9142.2175-61.2179.6000111.4R65 V66 N67 P120 E122 L123R65-L69 CarbonylContact C-O 3.27Å; R65-L69 WeakPolarHBondContact CA-O 3.4Å; R65-L69 WeakPolarHBondContact CB-O 3.49Å; V66-L69 PolarHBondContact N-O 2.9Å; V66-L69 PolarHBondContact O-N 2.99Å; N67-L69 PolarHBondContact O-N 2.87Å; L69-P120 HydrophobicContact CB-CG 4.26Å; L69-P120 HydrophobicContact CD1-CB 4.42Å; L69-E122 HydrophobicContact CD1-CB 4.18Å; L69-E122 WeakPolarHBondContact CD1-OE2 3.39Å; L69-L123 HydrophobicContact CD1-CD1 4.24Å; L69-L123 HydrophobicContact CD1-CD2 4.12Å; L69-L123 HydrophobicContact CD1-CG 3.99Å
70E91.5Very high88.7Confident118 Ų11864.4 Ų64.455%0.55131%0.307SS*.EExtended strand (participates in β ladder)trans-77.5132.7178.4-167.7156.1155.800111.4R63R63-E70 IonicContact CZ-OE2 3.55Å; R63-E70 IonicContact NE-OE1 3.05Å; R63-E70 IonicContact NE-OE2 3.03Å; R63-E70 PolarHBondContact NE-OE2 3.17Å; R63-E70 IonicContact NH2-OE2 2.65Å; R63-E70 PolarHBondContact NH2-OE2 2.84Å
71A90.9Very high87.6Confident4 Ų462.5 Ų62.53%0.03331%0.305CS..  trans-119.6125.1-168.400000112V64 V66 F73 I117 P120V64-A71 HydrophobicContact CG1-CB 4.21Å; V64-A71 PolarHBondContact O-N 2.79Å; V66-A71 HydrophobicContact CG2-CB 3.73Å; A71-F73 PolarHBondContact O-N 2.8Å; A71-I117 HydrophobicContact CB-CG2 3.91Å; A71-P120 HydrophobicContact CB-CG 4.18Å
72P92.8Very high86.3Confident76 Ų7662.7 Ų62.749%0.49431%0.307SS..  trans-71.7123.1-179.525.8-29.6000111K118P72-K118 HydrophobicContact CG-CB 4.24Å; P72-K118 HydrophobicContact CG-CD 4.33Å; P72-K118 WeakPolarHBondContact O-CB 3.46Å; P72-K118 PolarHBondContact O-N 3.39Å
73F93.3Very high85Confident76 Ų7657.6 Ų57.633%0.33329%0.287SS..EExtended strand (participates in β ladder)trans-108.3162.4178.968.8-87.6000112.3I61 V64 A71 L115 V116 I117I61-F73 HydrophobicContact CB-CE2 3.95Å; I61-F73 HydrophobicContact CB-CZ 3.9Å; I61-F73 HydrophobicContact CG1-CE2 4.42Å; I61-F73 HydrophobicContact CG2-CE1 4.06Å; I61-F73 HydrophobicContact CG2-CE2 4.1Å; I61-F73 HydrophobicContact CG2-CZ 3.79Å; V64-F73 HydrophobicContact CB-CD1 4.12Å; V64-F73 HydrophobicContact CG2-CB 4.21Å; V64-F73 HydrophobicContact CG2-CD1 3.55Å; V64-F73 HydrophobicContact CG2-CE1 4.09Å; V64-F73 HydrophobicContact CG2-CG 3.97Å; A71-F73 PolarHBondContact O-N 2.8Å; F73-L115 HydrophobicContact CB-CD1 4.04Å; F73-L115 HydrophobicContact CD2-CD1 3.62Å; F73-L115 HydrophobicContact CE2-CD1 4.46Å; F73-L115 HydrophobicContact CG-CD1 4.15Å; F73-V116 CarbonylContact C-O 3.4Å; F73-V116 WeakPolarHBondContact CA-O 3.34Å; F73-I117 HydrophobicContact CB-CG1 4.2Å
74I92Very high83.5Confident62 Ų6258.5 Ų58.532%0.31830%0.295SS..EExtended strand (participates in β ladder)trans-129.6131.3171.2-58.7174.1000106.5V116I74-V116 PolarHBondContact N-O 2.83Å; I74-V116 PolarHBondContact O-N 3.35Å
75Y90.7Very high81.7Confident76 Ų7665.1 Ų65.130%0.29833%0.331SS..EExtended strand (participates in β ladder)trans-120.1115.9176.6172.7-89.6000109.3S56 Q58 E114S56-Y75 WeakPolarHBondContact O-CE2 3.26Å; Q58-Y75 PolarHBondContact N-OH 2.88Å; Y75-E114 WeakPolarHBondContact CA-O 3.23Å; Y75-E114 HydrophobicContact CE2-CB 4.47Å
76N85.9Confident80.3Confident108 Ų10865.6 Ų65.658%0.57834%0.336SS*.  trans-133.1119.4179.4-68.5-2.3000109.5P78 E114N76-P78 WeakPolarHBondContact O-CD 3.37Å; N76-E114 PolarHBondContact N-O 3.33Å; N76-E114 WeakPolarHBondContact O-CA 3.35Å
77D83.1Confident78.7Confident22 Ų2268.8 Ų68.812%0.11836%0.358CS..  trans-108.896.4169.5-172.6-10.2000110.8K57 T79 L80K57-D77 VanDerWaalsContact CD-OD2 3.22Å; K57-D77 WeakPolarHBondContact CD-OD2 3.47Å; K57-D77 VanDerWaalsContact CE-OD2 3.28Å; K57-D77 WeakPolarHBondContact CE-OD2 3.37Å; K57-D77 WeakPolarHBondContact CG-OD2 3.48Å; K57-D77 IonicContact NZ-OD1 2.84Å; K57-D77 PolarHBondContact NZ-OD1 2.95Å; K57-D77 IonicContact NZ-OD2 3.86Å; D77-T79 PolarHBondContact O-N 2.88Å; D77-T79 WeakPolarHBondContact OD1-CB 3.29Å; D77-T79 PolarHBondContact OD1-N 2.84Å; D77-T79 PolarHBondContact OD1-OG1 2.81Å; D77-L80 HydrophobicContact CB-CD1 4Å; D77-L80 HydrophobicContact CB-CG 4.13Å
78P79.9Confident77.4Confident57 Ų5772.4 Ų72.437%0.3737%0.372SS..THydrogen-bonded Turntrans-72-2.8178.831.6-37.2000113.8N76 A102 V106N76-P78 WeakPolarHBondContact O-CD 3.37Å; P78-A102 HydrophobicContact CB-CB 4.34Å; P78-V106 HydrophobicContact CG-CG2 3.41Å; P78-V106 VanDerWaalsContact CG-CG2 3.41Å
79T76.6Confident76.6Confident1 Ų170.4 Ų70.41%0.00636%0.358CS..THydrogen-bonded Turntrans-88.8-12.1-177.771.40000114.1K57 D77 V82 V103 R957K57-T79 PolarHBondContact NZ-OG1 2.99Å; D77-T79 PolarHBondContact O-N 2.88Å; D77-T79 WeakPolarHBondContact OD1-CB 3.29Å; D77-T79 PolarHBondContact OD1-N 2.84Å; D77-T79 PolarHBondContact OD1-OG1 2.81Å; T79-V82 WeakPolarHBondContact O-CG2 3.46Å; T79-V103 HydrophobicContact CG2-CG2 4.43Å; T79-R957 PolarHBondContact O-NH1 3.17Å; T79-R957 PolarHBondContact O-NH2 2.92Å
80L75.7Confident75.8Confident66 Ų6668.9 Ų68.935%0.34635%0.348SS..SBendtrans-71.3-39-179.5-64.2172.6000113.1D77 N947 A951D77-L80 HydrophobicContact CB-CD1 4Å; D77-L80 HydrophobicContact CB-CG 4.13Å; L80-N947 CarbonylContact O-C 3.46Å; L80-A951 HydrophobicContact CD2-CB 3.89Å
81E70.3Confident75.2Confident118 Ų11865.6 Ų65.655%0.55134%0.335SS*.SBendtrans-132.241.4-170.6-67.8-169-172.600113.4C83 H84E81-C83 VanDerWaalsContact C-N 3.28Å; E81-C83 PolarHBondContact O-N 2.87Å; E81-C83 VanDerWaalsContact O-N 3.07Å; E81-H84 HydrophobicContact CB-CB 3.99Å; E81-H84 HydrophobicContact CG-CB 4.38Å; E81-H84 PolarHBondContact O-N 3.45Å
82V65.4Low74.6Confident25 Ų2565.4 Ų65.415%0.15233%0.333CS..THydrogen-bonded Turntrans-46.5-43.4-171.8-176.10000114.4T79 A98 Y99 A102T79-V82 WeakPolarHBondContact O-CG2 3.46Å; V82-A98 HydrophobicContact CG1-CB 3.77Å; V82-Y99 HydrophobicContact CG2-CD2 4.07Å; V82-A102 HydrophobicContact CG2-CB 4.31Å
83C65Low73.9Confident3 Ų366 Ų662%0.0233%0.332CS..THydrogen-bonded Turntrans-132.127.6-179.2-60.60000113.4E81 W943 N947E81-C83 VanDerWaalsContact C-N 3.28Å; E81-C83 PolarHBondContact O-N 2.87Å; E81-C83 VanDerWaalsContact O-N 3.07Å; C83-W943 HydrophobicContact CB-CZ2 3.83Å; C83-N947 PolarHBondContact N-OD1 2.86Å
84H61.3Low73.2Confident107 Ų10766 Ų6650%0.49533%0.33SS..THydrogen-bonded Turntrans-66.9-41.5-172.5-170.6-107.9000113.1E81 E86E81-H84 HydrophobicContact CB-CB 3.99Å; E81-H84 HydrophobicContact CG-CB 4.38Å; E81-H84 PolarHBondContact O-N 3.45Å; H84-E86 VanDerWaalsContact C-N 3.29Å; H84-E86 PolarHBondContact O-N 3.48Å
85N56.2Low72.8Confident142 Ų14263.1 Ų63.176%0.75932%0.316SS*.THydrogen-bonded Turntrans-78.9-6.9-175.3-64-29.7000114.4
86E63.1Low72.3Confident84 Ų8460.4 Ų60.439%0.39331%0.308SS..  trans-118.546.4-171.7-66-174.5121.200112.5H84 K88 Q89 Y94H84-E86 VanDerWaalsContact C-N 3.29Å; H84-E86 PolarHBondContact O-N 3.48Å; E86-K88 PolarHBondContact O-N 3.26Å; E86-Q89 PolarHBondContact O-N 2.82Å; E86-Y94 WeakPolarHBondContact OE2-CE1 3.4Å; E86-Y94 PolarHBondContact OE2-OH 2.92Å
87S57.8Low72Confident67 Ų6759 Ų5947%0.46931%0.306SS..G310 helixtrans-50.1-21.317860.90000115.2Q89 R90S87-Q89 VanDerWaalsContact C-N 3.33Å; S87-R90 WeakPolarHBondContact O-CG 3.5Å
88K60.4Low71.9Confident120 Ų12059 Ų5952%0.52231%0.31SS..G310 helixtrans-72.9-18.6175.6-59.1-167.3179.7-166.20113.7E86 R972E86-K88 PolarHBondContact O-N 3.26Å; K88-R972 PolarHBondContact O-NH1 2.73Å
89Q67.1Low72.1Confident85 Ų8556.7 Ų56.740%0.39729%0.294SS..G310 helixtrans-114.647.8-177.2-62.4-16065.800113.7E86 S87 N91 Y94E86-Q89 PolarHBondContact O-N 2.82Å; S87-Q89 VanDerWaalsContact C-N 3.33Å; Q89-N91 PolarHBondContact O-N 3.16Å; Q89-Y94 HydrophobicContact CB-CD1 4.14Å
90R72.8Confident72.4Confident29 Ų2957.6 Ų57.611%0.10930%0.299CS..  trans-70.670172-68.1174-179.4174.5-1.7112.3S87 D940 W943 Y964 L976S87-R90 WeakPolarHBondContact O-CG 3.5Å; R90-D940 IonicContact CZ-OD1 3.79Å; R90-D940 IonicContact NH1-OD1 2.73Å; R90-D940 PolarHBondContact NH1-OD1 3.02Å; R90-D940 IonicContact NH2-OD1 2.63Å; R90-D940 PolarHBondContact NH2-OD1 2.9Å; R90-D940 IonicContact NH2-OD2 2.68Å; R90-D940 PolarHBondContact NH2-OD2 2.79Å; R90-W943 HydrophobicContact CB-CD2 4.41Å; R90-W943 HydrophobicContact CB-CE3 4.26Å; R90-W943 HydrophobicContact CB-CH2 4.31Å; R90-W943 HydrophobicContact CB-CZ2 4.47Å; R90-W943 HydrophobicContact CB-CZ3 4.21Å; R90-W943 HydrophobicContact CG-CD2 3.87Å; R90-W943 HydrophobicContact CG-CE3 4.22Å; R90-W943 HydrophobicContact CG-CG 4.23Å; R90-W943 HydrophobicContact CG-CH2 4.48Å; R90-W943 HydrophobicContact CG-CZ2 4.17Å; R90-Y964 PolarHBondContact O-OH 3.16Å; R90-L976 HydrophobicContact CB-CD1 3.72Å; R90-L976 HydrophobicContact CG-CD1 4.31Å
91N78.2Confident72.7Confident50 Ų5057.3 Ų57.327%0.26731%0.306SS..  trans-123.7131.8177.2-58.8-9.2000108.3Q89 N93 Y94 F95 R972Q89-N91 PolarHBondContact O-N 3.16Å; N91-N93 VanDerWaalsContact C-N 3.32Å; N91-N93 PolarHBondContact O-N 3.37Å; N91-Y94 WeakPolarHBondContact O-CB 3.35Å; N91-Y94 PolarHBondContact O-N 3.07Å; N91-F95 PolarHBondContact O-N 3.05Å; N91-F95 VanDerWaalsContact O-N 3.16Å; N91-R972 WeakPolarHBondContact OD1-CB 3.17Å
92L78.6Confident73.4Confident0 Ų052.2 Ų52.20%028%0.284CS..Hα-helixtrans-63.6-36.9-176.1176.955.4000112.7Y94 F95 S96 H421 M946 V961 Y964 Y965 L970L92-Y94 PolarHBondContact O-N 3.29Å; L92-F95 HydrophobicContact CD1-CD1 4.31Å; L92-F95 PolarHBondContact O-N 3Å; L92-S96 WeakPolarHBondContact O-CB 3.23Å; L92-S96 PolarHBondContact O-N 3.06Å; L92-H421 HydrophobicContact CD2-CB 3.95Å; L92-H421 HydrophobicContact CG-CB 4.46Å; L92-M946 HydrophobicContact CD1-CE 4.23Å; L92-V961 HydrophobicContact CD1-CG1 3.64Å; L92-Y964 HydrophobicContact CB-CD1 4.22Å; L92-Y964 HydrophobicContact CB-CE1 4.31Å; L92-Y965 HydrophobicContact CD2-CD2 4.01Å; L92-Y965 HydrophobicContact CD2-CG 4.37Å; L92-L970 HydrophobicContact CD2-CD2 4.42Å
93N77.8Confident74.3Confident88 Ų8851.4 Ų51.447%0.47128%0.279SS..Hα-helixtrans-57.9-35.1174.2-70.6-6.7000112.9N91 S97N91-N93 VanDerWaalsContact C-N 3.32Å; N91-N93 PolarHBondContact O-N 3.37Å; N93-S97 WeakPolarHBondContact O-CB 3.39Å; N93-S97 PolarHBondContact O-N 3.36Å; N93-S97 PolarHBondContact O-OG 2.66Å
94Y79.9Confident75.2Confident76 Ų7653.4 Ų53.430%0.29829%0.293SS..Hα-helixtrans-73.4-49.2178.6-172.8-109.1000111E86 Q89 N91 L92 S96 S97 A98E86-Y94 WeakPolarHBondContact OE2-CE1 3.4Å; E86-Y94 PolarHBondContact OE2-OH 2.92Å; Q89-Y94 HydrophobicContact CB-CD1 4.14Å; N91-Y94 WeakPolarHBondContact O-CB 3.35Å; N91-Y94 PolarHBondContact O-N 3.07Å; L92-Y94 PolarHBondContact O-N 3.29Å; Y94-S96 PolarHBondContact O-N 2.8Å; Y94-S97 PolarHBondContact O-N 3.02Å; Y94-A98 WeakPolarHBondContact O-CB 3.35Å; Y94-A98 PolarHBondContact O-N 3.37Å
95F82.8Confident76.3Confident2 Ų251.1 Ų51.11%0.00929%0.293CS..Hα-helixtrans-57.2-46.5175.7177.4-91.3000112.4N91 L92 S97 A98 Y99 W943 M946 V961N91-F95 PolarHBondContact O-N 3.05Å; N91-F95 VanDerWaalsContact O-N 3.16Å; L92-F95 HydrophobicContact CD1-CD1 4.31Å; L92-F95 PolarHBondContact O-N 3Å; F95-S97 VanDerWaalsContact C-N 3.32Å; F95-S97 PolarHBondContact O-N 2.64Å; F95-A98 PolarHBondContact O-N 3.47Å; F95-Y99 HydrophobicContact CE1-CD1 4.5Å; F95-Y99 WeakPolarHBondContact O-CB 3.17Å; F95-Y99 PolarHBondContact O-N 3.12Å; F95-W943 HydrophobicContact CB-CH2 3.74Å; F95-W943 HydrophobicContact CB-CZ2 4.46Å; F95-W943 HydrophobicContact CB-CZ3 4.25Å; F95-W943 HydrophobicContact CD2-CH2 4.33Å; F95-W943 HydrophobicContact CD2-CZ2 4.42Å; F95-W943 HydrophobicContact CG-CH2 4.38Å; F95-M946 HydrophobicContact CD1-CE 4.01Å; F95-M946 HydrophobicContact CE1-CE 4.15Å; F95-M946 HydrophobicContact CE2-CB 4.25Å; F95-M946 HydrophobicContact CG-CE 4.27Å; F95-M946 HydrophobicContact CZ-CB 4.07Å; F95-M946 VanDerWaalsContact CZ-O 3.28Å; F95-M946 WeakPolarHBondContact CZ-O 3.34Å; F95-V961 HydrophobicContact CD1-CG2 4.31Å; F95-V961 HydrophobicContact CE1-CG2 3.62Å; F95-V961 HydrophobicContact CZ-CG2 4.37Å
96S80Confident77.6Confident19 Ų1944.7 Ų44.713%0.13326%0.259CS..Hα-helixtrans-61.9-40179.1-168.90000112L92 Y94 T100 H421L92-S96 WeakPolarHBondContact O-CB 3.23Å; L92-S96 PolarHBondContact O-N 3.06Å; Y94-S96 PolarHBondContact O-N 2.8Å; S96-T100 VanDerWaalsContact O-CB 3.27Å; S96-T100 WeakPolarHBondContact O-CB 3.36Å; S96-T100 PolarHBondContact O-N 3.16Å; S96-T100 PolarHBondContact O-OG1 2.98Å; S96-H421 WeakPolarHBondContact CB-O 3.36Å; S96-H421 PolarHBondContact OG-O 2.94Å
97S79.9Confident78.6Confident78 Ų7841.7 Ų41.755%0.54525%0.245SC..Hα-helixtrans-66.8-49.4175.6-57.50000112.1N93 Y94 F95 T100 A101N93-S97 WeakPolarHBondContact O-CB 3.39Å; N93-S97 PolarHBondContact O-N 3.36Å; N93-S97 PolarHBondContact O-OG 2.66Å; Y94-S97 PolarHBondContact O-N 3.02Å; F95-S97 VanDerWaalsContact C-N 3.32Å; F95-S97 PolarHBondContact O-N 2.64Å; S97-T100 PolarHBondContact O-N 2.93Å; S97-A101 PolarHBondContact O-N 2.88Å
98A82Confident79.7Confident23 Ų2338.6 Ų38.619%0.1922%0.223CC..Hα-helixtrans-65.3-41.3179.800000112.3V82 Y94 F95 A101 A102V82-A98 HydrophobicContact CG1-CB 3.77Å; Y94-A98 WeakPolarHBondContact O-CB 3.35Å; Y94-A98 PolarHBondContact O-N 3.37Å; F95-A98 PolarHBondContact O-N 3.47Å; A98-A101 PolarHBondContact O-N 3.19Å; A98-A102 WeakPolarHBondContact O-CB 3.28Å; A98-A102 PolarHBondContact O-N 2.85Å
99Y83.9Confident80.6Confident8 Ų834.1 Ų34.13%0.03121%0.205CC..Hα-helixtrans-66.4-42176-179.4-132.3000111.3V82 F95 A101 A102 V103 H428 T429V82-Y99 HydrophobicContact CG2-CD2 4.07Å; F95-Y99 HydrophobicContact CE1-CD1 4.5Å; F95-Y99 WeakPolarHBondContact O-CB 3.17Å; F95-Y99 PolarHBondContact O-N 3.12Å; Y99-A101 VanDerWaalsContact C-N 3.3Å; Y99-A101 PolarHBondContact O-N 2.81Å; Y99-A102 PolarHBondContact O-N 2.86Å; Y99-V103 HydrophobicContact CD2-CG2 3.87Å; Y99-V103 HydrophobicContact CE1-CG2 4.45Å; Y99-V103 HydrophobicContact CE2-CG2 3.49Å; Y99-V103 VanDerWaalsContact CE2-CG2 3.49Å; Y99-V103 HydrophobicContact CG-CG2 4.49Å; Y99-V103 WeakPolarHBondContact O-CB 3.38Å; Y99-V103 WeakPolarHBondContact O-CG2 3.28Å; Y99-V103 PolarHBondContact O-N 2.92Å; Y99-H428 WeakPolarHBondContact CE1-O 3.43Å; Y99-H428 PolarHBondContact OH-O 3.16Å; Y99-T429 HydrophobicContact CD1-CG2 3.73Å; Y99-T429 HydrophobicContact CE1-CG2 3.56Å
100T81.8Confident81.3Confident19 Ų1932.8 Ų32.812%0.11721%0.209CC..Hα-helixtrans-59.6-41.6173.3-59.50000111.2S96 S97 S104 S423S96-T100 VanDerWaalsContact O-CB 3.27Å; S96-T100 WeakPolarHBondContact O-CB 3.36Å; S96-T100 PolarHBondContact O-N 3.16Å; S96-T100 PolarHBondContact O-OG1 2.98Å; S97-T100 PolarHBondContact O-N 2.93Å; T100-S104 WeakPolarHBondContact O-CB 3.5Å; T100-S104 PolarHBondContact O-N 2.6Å; T100-S104 PolarHBondContact O-OG 3.34Å; T100-S423 VanDerWaalsContact OG1-CB 3.29Å; T100-S423 WeakPolarHBondContact OG1-CB 3.37Å
101A83Confident81.6Confident60 Ų6032 Ų3250%0.49621%0.21SC..Hα-helixtrans-65.8-43.9175.300000112.6S97 A98 Y99 V103 S104 A105S97-A101 PolarHBondContact O-N 2.88Å; A98-A101 PolarHBondContact O-N 3.19Å; Y99-A101 VanDerWaalsContact C-N 3.3Å; Y99-A101 PolarHBondContact O-N 2.81Å; A101-V103 PolarHBondContact O-N 2.92Å; A101-S104 PolarHBondContact O-N 3.14Å; A101-A105 WeakPolarHBondContact O-CB 3.23Å; A101-A105 PolarHBondContact O-N 2.88Å
102A84.3Confident82Confident11 Ų1131.8 Ų31.89%0.09121%0.209CC..Hα-helixtrans-63.1-39.8177.300000112.6P78 V82 A98 Y99 V106P78-A102 HydrophobicContact CB-CB 4.34Å; V82-A102 HydrophobicContact CG2-CB 4.31Å; A98-A102 WeakPolarHBondContact O-CB 3.28Å; A98-A102 PolarHBondContact O-N 2.85Å; Y99-A102 PolarHBondContact O-N 2.86Å; A102-V106 WeakPolarHBondContact O-CG2 3.38Å
103V84.5Confident82.3Confident9 Ų932.3 Ų32.36%0.05521%0.214CC..Hα-helixtrans-67.4-43.9172.9174.50000110.6T79 Y99 A101 A105 V106 D107 H426T79-V103 HydrophobicContact CG2-CG2 4.43Å; Y99-V103 HydrophobicContact CD2-CG2 3.87Å; Y99-V103 HydrophobicContact CE1-CG2 4.45Å; Y99-V103 HydrophobicContact CE2-CG2 3.49Å; Y99-V103 VanDerWaalsContact CE2-CG2 3.49Å; Y99-V103 HydrophobicContact CG-CG2 4.49Å; Y99-V103 WeakPolarHBondContact O-CB 3.38Å; Y99-V103 WeakPolarHBondContact O-CG2 3.28Å; Y99-V103 PolarHBondContact O-N 2.92Å; A101-V103 PolarHBondContact O-N 2.92Å; V103-A105 VanDerWaalsContact C-N 3.3Å; V103-A105 PolarHBondContact O-N 3.16Å; V103-V106 CarbonylContact O-C 3.58Å; V103-V106 WeakPolarHBondContact O-CA 3.46Å; V103-V106 PolarHBondContact O-N 3.22Å; V103-D107 PolarHBondContact O-N 2.91Å; V103-H426 HydrophobicContact CG1-CB 3.92Å
104S84.4Confident82.9Confident44 Ų4428.3 Ų28.331%0.30819%0.192SC..Hα-helixtrans-60.8-36.4177.6-54.10000112.8T100 A101 V106 D107 N112 H426T100-S104 WeakPolarHBondContact O-CB 3.5Å; T100-S104 PolarHBondContact O-N 2.6Å; T100-S104 PolarHBondContact O-OG 3.34Å; A101-S104 PolarHBondContact O-N 3.14Å; S104-V106 PolarHBondContact O-N 2.65Å; S104-D107 PolarHBondContact O-N 3.48Å; S104-N112 PolarHBondContact O-ND2 3.17Å; S104-H426 PolarHBondContact OG-CE1 2.79Å; S104-H426 VanDerWaalsContact OG-CE1 3.28Å
105A84.1Confident83.4Confident59 Ų5924.7 Ų24.749%0.48818%0.178SC..THydrogen-bonded Turntrans-68.4-12.1175.700000113.8A101 V103 N112A101-A105 WeakPolarHBondContact O-CB 3.23Å; A101-A105 PolarHBondContact O-N 2.88Å; V103-A105 VanDerWaalsContact C-N 3.3Å; V103-A105 PolarHBondContact O-N 3.16Å; A105-N112 WeakPolarHBondContact O-CB 3.25Å
106V83.1Confident83.9Confident7 Ų725.3 Ų25.34%0.04218%0.182CC..THydrogen-bonded Turntrans-117.8-8.6-178.2170.10000111.9N55 P78 A102 V103 S104 E114N55-V106 PolarHBondContact ND2-O 3.27Å; P78-V106 HydrophobicContact CG-CG2 3.41Å; P78-V106 VanDerWaalsContact CG-CG2 3.41Å; A102-V106 WeakPolarHBondContact O-CG2 3.38Å; V103-V106 CarbonylContact O-C 3.58Å; V103-V106 WeakPolarHBondContact O-CA 3.46Å; V103-V106 PolarHBondContact O-N 3.22Å; S104-V106 PolarHBondContact O-N 2.65Å; V106-E114 HydrophobicContact CG1-CG 3.69Å; V106-E114 VanDerWaalsContact CG1-OE1 3.24Å; V106-E114 WeakPolarHBondContact CG1-OE1 3.32Å; V106-E114 WeakPolarHBondContact CG1-OE2 3.43Å; V106-E114 HydrophobicContact CG2-CG 4.28Å
107D83.7Confident84.5Confident22 Ų2224.4 Ų24.412%0.11818%0.176CC..  trans-59.2119.8-169.5174.244.2000112.3V103 S104 D109 A110 N112 H426V103-D107 PolarHBondContact O-N 2.91Å; S104-D107 PolarHBondContact O-N 3.48Å; D107-D109 VanDerWaalsContact C-N 3.31Å; D107-D109 PolarHBondContact O-N 3.49Å; D107-D109 PolarHBondContact OD1-N 3.08Å; D107-D109 PolarHBondContact OD2-N 3.4Å; D107-A110 HydrophobicContact CB-CB 4.2Å; D107-A110 WeakPolarHBondContact OD2-CB 3.49Å; D107-A110 PolarHBondContact OD2-N 3.19Å; D107-N112 WeakPolarHBondContact O-CA 3.33Å; D107-N112 WeakPolarHBondContact O-CB 3.47Å; D107-N112 PolarHBondContact O-N 3.15Å; D107-H426 IonicContact OD1-CD2 3.61Å
108P81.3Confident85.1Confident1 Ų125.3 Ų25.31%0.00617%0.17CC..THydrogen-bonded Turntrans-67.4-30.4178.232.6-40.9000111.9R13 N55 A110 G111 D183R13-P108 PolarHBondContact NH1-O 2.84Å; R13-P108 PolarHBondContact NH2-O 2.83Å; N55-P108 WeakPolarHBondContact OD1-CB 2.93Å; P108-A110 VanDerWaalsContact C-N 3.34Å; P108-A110 PolarHBondContact O-N 2.97Å; P108-G111 PolarHBondContact O-N 2.94Å; P108-D183 VanDerWaalsContact CG-O 3.24Å; P108-D183 WeakPolarHBondContact CG-O 3.44Å
109D80Confident85.4Confident27 Ų2724.5 Ų24.514%0.14416%0.163CC..THydrogen-bonded Turntrans-72.8-30.9-176.4-69.6-0.9000110.8P12 D107 G111 S184 R350 W353P12-D109 VanDerWaalsContact CG-O 3.27Å; P12-D109 WeakPolarHBondContact CG-O 3.49Å; D107-D109 VanDerWaalsContact C-N 3.31Å; D107-D109 PolarHBondContact O-N 3.49Å; D107-D109 PolarHBondContact OD1-N 3.08Å; D107-D109 PolarHBondContact OD2-N 3.4Å; D109-G111 VanDerWaalsContact C-N 3.27Å; D109-G111 PolarHBondContact O-N 2.98Å; D109-S184 WeakPolarHBondContact OD1-CB 3.37Å; D109-S184 PolarHBondContact OD1-OG 3.04Å; D109-R350 IonicContact OD2-NH1 3.29Å; D109-R350 PolarHBondContact OD2-NH1 2.74Å; D109-W353 PolarHBondContact OD2-N 2.95Å
110A81Confident85.6Confident56 Ų5625.1 Ų25.146%0.46317%0.168SC..THydrogen-bonded Turntrans-77.12167.900000115.3D107 P108D107-A110 HydrophobicContact CB-CB 4.2Å; D107-A110 WeakPolarHBondContact OD2-CB 3.49Å; D107-A110 PolarHBondContact OD2-N 3.19Å; P108-A110 VanDerWaalsContact C-N 3.34Å; P108-A110 PolarHBondContact O-N 2.97Å
111G80Confident85.6Confident14 Ų1428 Ų2814%0.14419%0.189CC..THydrogen-bonded Turntrans7131.3-177.500000114K53 P108 D109K53-G111 WeakPolarHBondContact CD-O 3.46Å; K53-G111 PolarHBondContact NZ-O 2.87Å; P108-G111 PolarHBondContact O-N 2.94Å; D109-G111 VanDerWaalsContact C-N 3.27Å; D109-G111 PolarHBondContact O-N 2.98Å
112N85.9Confident85.5Confident45 Ų4531.9 Ų31.924%0.24120%0.196CC..  trans-100.4173.7169.4-72.8-36.7000112.1K53 S104 A105 D107K53-N112 PolarHBondContact NZ-OD1 3.48Å; S104-N112 PolarHBondContact O-ND2 3.17Å; A105-N112 WeakPolarHBondContact O-CB 3.25Å; D107-N112 WeakPolarHBondContact O-CA 3.33Å; D107-N112 WeakPolarHBondContact O-CB 3.47Å; D107-N112 PolarHBondContact O-N 3.15Å
113G85.8Confident85.2Confident10 Ų1031.7 Ų31.710%0.10319%0.194CC..  trans175154179.100000113.5L54 N55L54-G113 CarbonylContact O-C 3.53Å; N55-G113 WeakPolarHBondContact ND2-CA 3.25Å
114E89.1Confident84.8Confident4 Ų436.4 Ų36.42%0.01921%0.211CC..SBendtrans-69-35.6-174.1-58.890.6145.500112.9L54 N55 S56 K57 Y75 N76 V106 R176L54-E114 PolarHBondContact O-N 3.43Å; N55-E114 WeakPolarHBondContact CA-OE2 3.38Å; N55-E114 WeakPolarHBondContact CB-OE2 3.4Å; N55-E114 PolarHBondContact ND2-OE2 2.77Å; S56-E114 VanDerWaalsContact O-CB 3.29Å; S56-E114 WeakPolarHBondContact O-CB 3.36Å; S56-E114 WeakPolarHBondContact O-CG 3.38Å; K57-E114 WeakPolarHBondContact CE-OE1 3.41Å; K57-E114 HydrophobicContact CG-CG 4.31Å; K57-E114 WeakPolarHBondContact CG-OE1 3.5Å; Y75-E114 WeakPolarHBondContact CA-O 3.23Å; Y75-E114 HydrophobicContact CE2-CB 4.47Å; N76-E114 PolarHBondContact N-O 3.33Å; N76-E114 WeakPolarHBondContact O-CA 3.35Å; V106-E114 HydrophobicContact CG1-CG 3.69Å; V106-E114 VanDerWaalsContact CG1-OE1 3.24Å; V106-E114 WeakPolarHBondContact CG1-OE1 3.32Å; V106-E114 WeakPolarHBondContact CG1-OE2 3.43Å; V106-E114 HydrophobicContact CG2-CG 4.28Å; E114-R176 WeakPolarHBondContact OE1-CD 3.38Å; E114-R176 IonicContact OE1-CZ 3.36Å; E114-R176 IonicContact OE1-NE 3.32Å; E114-R176 IonicContact OE1-NH1 3.49Å; E114-R176 PolarHBondContact OE1-NH1 3Å; E114-R176 IonicContact OE2-NH1 2.67Å; E114-R176 PolarHBondContact OE2-NH1 3.01Å
115L92Very high84.1Confident0 Ų042 Ų420%023%0.23CC..EExtended strand (participates in β ladder)trans-103.9115.8-177.9178.863.8000109.9K53 L54 I61 F73 I117 I137 P180K53-L115 CarbonylContact C-O 3.44Å; K53-L115 WeakPolarHBondContact CA-O 3.49Å; L54-L115 HydrophobicContact CB-CB 4.42Å; L54-L115 HydrophobicContact CB-CD2 4.48Å; L54-L115 PolarHBondContact N-O 2.86Å; L54-L115 PolarHBondContact O-N 3.37Å; I61-L115 HydrophobicContact CD1-CD2 4.32Å; I61-L115 HydrophobicContact CG1-CD1 4.4Å; I61-L115 HydrophobicContact CG1-CD2 4.44Å; F73-L115 HydrophobicContact CB-CD1 4.04Å; F73-L115 HydrophobicContact CD2-CD1 3.62Å; F73-L115 HydrophobicContact CE2-CD1 4.46Å; F73-L115 HydrophobicContact CG-CD1 4.15Å; L115-I117 HydrophobicContact CG-CG1 4.36Å; L115-I137 HydrophobicContact CD2-CD1 4.28Å; L115-P180 HydrophobicContact CD2-CB 4.05Å
116V92.9Very high83.2Confident16 Ų1642.6 Ų42.610%0.09722%0.222CC..EExtended strand (participates in β ladder)trans-117.6106.6-179.8-166.30000111.1R51 I52 K53 F73 I74R51-V116 HydrophobicContact CB-CG1 4.13Å; I52-V116 CarbonylContact O-C 3.57Å; I52-V116 WeakPolarHBondContact O-CA 3.27Å; K53-V116 HydrophobicContact CG-CG1 4.15Å; K53-V116 HydrophobicContact CG-CG2 4.14Å; F73-V116 CarbonylContact C-O 3.4Å; F73-V116 WeakPolarHBondContact CA-O 3.34Å; I74-V116 PolarHBondContact N-O 2.83Å; I74-V116 PolarHBondContact O-N 3.35Å
117I92.5Very high82.2Confident0 Ų042.5 Ų42.50%022%0.222CC..EExtended strand (participates in β ladder)trans-88.6129.4178.7-56.9166.9000108.3R51 I52 L54 V64 V66 A71 F73 L115 V135 I137R51-I117 WeakPolarHBondContact CA-O 3.33Å; I52-I117 HydrophobicContact CB-CB 4.45Å; I52-I117 PolarHBondContact N-O 3.09Å; I52-I117 PolarHBondContact O-N 2.68Å; L54-I117 HydrophobicContact CD1-CD1 3.82Å; V64-I117 HydrophobicContact CG1-CD1 3.68Å; V64-I117 HydrophobicContact CG1-CG1 3.94Å; V64-I117 HydrophobicContact CG1-CG2 3.77Å; V66-I117 HydrophobicContact CG2-CG2 4.25Å; A71-I117 HydrophobicContact CB-CG2 3.91Å; F73-I117 HydrophobicContact CB-CG1 4.2Å; L115-I117 HydrophobicContact CG-CG1 4.36Å; I117-V135 HydrophobicContact CD1-CG1 3.82Å; I117-I137 HydrophobicContact CD1-CD1 3.86Å; I117-I137 HydrophobicContact CD1-CG1 4.44Å
118K91.8Very high81.2Confident96 Ų9644.2 Ų44.242%0.41723%0.232SC..EExtended strand (participates in β ladder)trans-87.8129.3170.4-61.4174.9-178.2174.50108.9P72P72-K118 HydrophobicContact CG-CB 4.24Å; P72-K118 HydrophobicContact CG-CD 4.33Å; P72-K118 WeakPolarHBondContact O-CB 3.46Å; P72-K118 PolarHBondContact O-N 3.39Å
119V88.4Confident80.6Confident7 Ų748.9 Ų48.94%0.04226%0.256CS..PPolyproline II helixtrans-73.1129.7175.7179.70000108.9L49 N50 I52 L123 W124L49-V119 VanDerWaalsContact O-CG2 3.23Å; L49-V119 WeakPolarHBondContact O-CG2 3.28Å; N50-V119 PolarHBondContact O-N 2.78Å; I52-V119 HydrophobicContact CD1-CG2 3.66Å; I52-V119 HydrophobicContact CG1-CG2 3.98Å; V119-L123 HydrophobicContact CG1-CB 3.98Å; V119-W124 PolarHBondContact O-NE1 3.45Å
120P87.8Confident80.2Confident20 Ų2051.6 Ų51.613%0.1327%0.271CS..PPolyproline II helixtrans-54.3140.6174.8-2835000113.1L69 A71 E122 L123 W124L69-P120 HydrophobicContact CB-CG 4.26Å; L69-P120 HydrophobicContact CD1-CB 4.42Å; A71-P120 HydrophobicContact CB-CG 4.18Å; P120-E122 PolarHBondContact O-N 2.69Å; P120-L123 HydrophobicContact CB-CD1 4.42Å; P120-L123 HydrophobicContact CB-CG 4.42Å; P120-L123 HydrophobicContact CG-CD1 4.27Å; P120-L123 PolarHBondContact O-N 2.92Å; P120-W124 VanDerWaalsContact O-CD1 3.22Å; P120-W124 PolarHBondContact O-N 3.02Å
121S82.8Confident80Confident80 Ų8054.1 Ų54.156%0.55927%0.271SS*.Hα-helixtrans-62.7-27.2-175.845.90000114.3L123 W124S121-L123 PolarHBondContact O-N 3.46Å; S121-W124 PolarHBondContact O-N 3.06Å
122E81.2Confident80.3Confident141 Ų14156.4 Ų56.466%0.65928%0.282SS*.Hα-helixtrans-62.6-30.4172.5-64.9172.3-162.700112.4L69 P120L69-E122 HydrophobicContact CD1-CB 4.18Å; L69-E122 WeakPolarHBondContact CD1-OE2 3.39Å; P120-E122 PolarHBondContact O-N 2.69Å
123L77.8Confident80.4Confident7 Ų754.3 Ų54.34%0.03727%0.271CS..Hα-helixtrans-92-8.2-179.1-58.4179.4000113.4V66 N67 L69 V119 P120 S121 K125 Q126 G127V66-L123 HydrophobicContact CB-CD1 4.06Å; V66-L123 HydrophobicContact CG1-CD1 3.78Å; V66-L123 WeakPolarHBondContact O-CD1 3.4Å; N67-L123 HydrophobicContact CB-CD1 4.07Å; N67-L123 HydrophobicContact CB-CD2 4.26Å; L69-L123 HydrophobicContact CD1-CD1 4.24Å; L69-L123 HydrophobicContact CD1-CD2 4.12Å; L69-L123 HydrophobicContact CD1-CG 3.99Å; V119-L123 HydrophobicContact CG1-CB 3.98Å; P120-L123 HydrophobicContact CB-CD1 4.42Å; P120-L123 HydrophobicContact CB-CG 4.42Å; P120-L123 HydrophobicContact CG-CD1 4.27Å; P120-L123 PolarHBondContact O-N 2.92Å; S121-L123 PolarHBondContact O-N 3.46Å; L123-K125 VanDerWaalsContact C-N 3.26Å; L123-K125 PolarHBondContact O-N 3.47Å; L123-Q126 HydrophobicContact CD2-CG 4.44Å; L123-Q126 WeakPolarHBondContact O-CA 3.42Å; L123-Q126 WeakPolarHBondContact O-CB 3.4Å; L123-Q126 PolarHBondContact O-N 3.02Å; L123-G127 PolarHBondContact O-N 2.92Å
124W76.2Confident80.7Confident109 Ų10959 Ų5941%0.41329%0.288SS..Hα-helixtrans-56.6-42.8177.6-65.4-3000111V119 P120 S121 Q126 G127 D128V119-W124 PolarHBondContact O-NE1 3.45Å; P120-W124 VanDerWaalsContact O-CD1 3.22Å; P120-W124 PolarHBondContact O-N 3.02Å; S121-W124 PolarHBondContact O-N 3.06Å; W124-Q126 VanDerWaalsContact C-N 3.26Å; W124-Q126 PolarHBondContact O-N 2.98Å; W124-G127 CarbonylContact O-C 3.53Å; W124-G127 WeakPolarHBondContact O-CA 3.46Å; W124-G127 PolarHBondContact O-N 3.12Å; W124-D128 PolarHBondContact O-N 3.18Å
125K69.6Low81Confident162 Ų16258.8 Ų58.870%0.70429%0.288SS*.Hα-helixtrans-58-33.8173.6-63.5-178.9-179.5178.10113.6L123 D129L123-K125 VanDerWaalsContact C-N 3.26Å; L123-K125 PolarHBondContact O-N 3.47Å; K125-D129 PolarHBondContact O-N 2.58Å; K125-D129 VanDerWaalsContact O-N 3.1Å
126Q64.6Low81.1Confident71 Ų7162 Ų6233%0.33230%0.3SS..Hα-helixtrans-75.8-34.5176.3-58.4-174.6900111.6N67 L123 W124 D129 L130 K131N67-Q126 PolarHBondContact ND2-OE1 2.79Å; L123-Q126 HydrophobicContact CD2-CG 4.44Å; L123-Q126 WeakPolarHBondContact O-CA 3.42Å; L123-Q126 WeakPolarHBondContact O-CB 3.4Å; L123-Q126 PolarHBondContact O-N 3.02Å; W124-Q126 VanDerWaalsContact C-N 3.26Å; W124-Q126 PolarHBondContact O-N 2.98Å; Q126-D129 PolarHBondContact O-N 2.88Å; Q126-L130 PolarHBondContact O-N 2.94Å; Q126-K131 WeakPolarHBondContact O-CB 3.47Å; Q126-K131 PolarHBondContact O-N 2.79Å
127G61.7Low81.3Confident4 Ų461.2 Ų61.24%0.04130%0.295CS..Hα-helixtrans-66.7-35.1170.200000112.9L123 W124 L130L123-G127 PolarHBondContact O-N 2.92Å; W124-G127 CarbonylContact O-C 3.53Å; W124-G127 WeakPolarHBondContact O-CA 3.46Å; W124-G127 PolarHBondContact O-N 3.12Å; G127-L130 WeakPolarHBondContact O-CA 3.24Å; G127-L130 PolarHBondContact O-N 3.08Å
128D63.7Low81.4Confident58 Ų5864.4 Ų64.431%0.3131%0.31SS..Hα-helixtrans-70.8-33.9176-62.2-27.7000112.2V47 N48 W124 L130V47-D128 HydrophobicContact CG1-CB 3.93Å; V47-D128 WeakPolarHBondContact CG1-OD1 3.48Å; N48-D128 WeakPolarHBondContact CA-OD1 3.46Å; N48-D128 PolarHBondContact N-OD1 2.93Å; W124-D128 PolarHBondContact O-N 3.18Å; D128-L130 PolarHBondContact O-N 3.12Å
129D66.9Low81.5Confident99 Ų9959.9 Ų59.953%0.52929%0.291SS..THydrogen-bonded Turntrans-690.2166.1-72.2-30.5000113.5K125 Q126 K131K125-D129 PolarHBondContact O-N 2.58Å; K125-D129 VanDerWaalsContact O-N 3.1Å; Q126-D129 PolarHBondContact O-N 2.88Å; D129-K131 HydrophobicContact CB-CD 3.7Å; D129-K131 HydrophobicContact CB-CG 3.83Å; D129-K131 PolarHBondContact O-N 3.4Å; D129-K131 WeakPolarHBondContact OD2-CE 3.5Å; D129-K131 IonicContact OD2-NZ 3.79Å; D129-K131 PolarHBondContact OD2-NZ 3.28Å
130L71.7Confident81.8Confident85 Ų8559.5 Ų59.545%0.44529%0.289SS..THydrogen-bonded Turntrans53.230.7-172.9-59.6174.8000114.1P44 Q126 G127 D128P44-L130 HydrophobicContact CB-CD2 4.2Å; Q126-L130 PolarHBondContact O-N 2.94Å; G127-L130 WeakPolarHBondContact O-CA 3.24Å; G127-L130 PolarHBondContact O-N 3.08Å; D128-L130 PolarHBondContact O-N 3.12Å
131K78.3Confident82Confident109 Ų10958.6 Ų58.647%0.47428%0.283SS..  trans-74.8154179.3-70.2165.5178.4160.80111.6P44 Q126 D129 L133P44-K131 VanDerWaalsContact CD-O 3.29Å; P44-K131 WeakPolarHBondContact CD-O 3.31Å; Q126-K131 WeakPolarHBondContact O-CB 3.47Å; Q126-K131 PolarHBondContact O-N 2.79Å; D129-K131 HydrophobicContact CB-CD 3.7Å; D129-K131 HydrophobicContact CB-CG 3.83Å; D129-K131 PolarHBondContact O-N 3.4Å; D129-K131 WeakPolarHBondContact OD2-CE 3.5Å; D129-K131 IonicContact OD2-NZ 3.79Å; D129-K131 PolarHBondContact OD2-NZ 3.28Å; K131-L133 PolarHBondContact O-N 2.89Å
132V85.4Confident82.3Confident61 Ų6159.3 Ų59.337%0.3728%0.28SS..  trans-64.1132178.1-170.90000110.1T41 I42 F43T41-V132 HydrophobicContact CG2-CG1 3.5Å; I42-V132 WeakPolarHBondContact O-CA 3.36Å; F43-V132 HydrophobicContact CD1-CG2 4.07Å; F43-V132 HydrophobicContact CD2-CG1 4.24Å; F43-V132 HydrophobicContact CD2-CG2 4.3Å; F43-V132 HydrophobicContact CE1-CG2 3.56Å; F43-V132 HydrophobicContact CE2-CG1 3.95Å; F43-V132 HydrophobicContact CE2-CG2 3.81Å; F43-V132 HydrophobicContact CG-CG2 4.43Å; F43-V132 HydrophobicContact CZ-CG1 4.4Å; F43-V132 HydrophobicContact CZ-CG2 3.42Å; F43-V132 VanDerWaalsContact CZ-CG2 3.42Å
133L89Confident82.5Confident1 Ų159.2 Ų59.21%0.00528%0.28CS..EExtended strand (participates in β ladder)trans-108128.9173.4-58.8179.1000109.2I42 P44 V66 K131I42-L133 HydrophobicContact CB-CB 4.48Å; I42-L133 PolarHBondContact N-O 2.98Å; I42-L133 PolarHBondContact O-N 2.86Å; P44-L133 HydrophobicContact CG-CD1 4.31Å; P44-L133 HydrophobicContact CG-CG 4.43Å; V66-L133 HydrophobicContact CG1-CB 4.43Å; K131-L133 PolarHBondContact O-N 2.89Å
134K91.9Very high83Confident109 Ų10959.9 Ų59.947%0.47428%0.284SS..EExtended strand (participates in β ladder)trans-93.8125.2166.9-75.3-169.6163.1-1470109.3E39 L40 V66 N67E39-K134 IonicContact OE2-NZ 3.88Å; E39-K134 PolarHBondContact OE2-NZ 2.98Å; L40-K134 WeakPolarHBondContact O-CA 3.47Å; V66-K134 VanDerWaalsContact CA-O 3.31Å; V66-K134 WeakPolarHBondContact CA-O 3.21Å; N67-K134 PolarHBondContact N-O 3.49Å; N67-K134 PolarHBondContact OD1-N 2.87Å
135V94.1Very high83.3Confident0 Ų061 Ų610%029%0.292CS..EExtended strand (participates in β ladder)trans-110.7117.7173.2-174.80000108.9E39 L40 I42 I52 V64 R65 V66 I117 I137E39-V135 CarbonylContact C-O 3.55Å; E39-V135 WeakPolarHBondContact CA-O 3.27Å; L40-V135 HydrophobicContact CB-CB 4.42Å; L40-V135 PolarHBondContact N-O 2.76Å; L40-V135 PolarHBondContact O-N 3.25Å; I42-V135 HydrophobicContact CD1-CB 4.36Å; I42-V135 HydrophobicContact CD1-CG2 3.52Å; I42-V135 HydrophobicContact CG1-CG2 4.16Å; I52-V135 HydrophobicContact CD1-CG2 3.95Å; V64-V135 HydrophobicContact CG1-CG1 4.37Å; R65-V135 CarbonylContact O-C 3.49Å; R65-V135 WeakPolarHBondContact O-CA 3.33Å; V66-V135 HydrophobicContact CG1-CG2 4.42Å; V66-V135 HydrophobicContact CG2-CG1 4.36Å; V66-V135 HydrophobicContact CG2-CG2 4.2Å; I117-V135 HydrophobicContact CD1-CG1 3.82Å; V135-I137 HydrophobicContact CG1-CD1 4.15Å; V135-I137 HydrophobicContact CG1-CG1 3.97Å
136Y95.6Very high84Confident66 Ų6653.3 Ų53.326%0.25926%0.259SS..EExtended strand (participates in β ladder)trans-103128.2175.9176-78.2000109Y37 V38 E39 V64 R65 E138Y37-Y136 HydrophobicContact CD1-CE2 4.38Å; Y37-Y136 AromaticContact CD2-CD2 3.85Å; Y37-Y136 HydrophobicContact CD2-CD2 3.85Å; Y37-Y136 AromaticContact CD2-CE2 3.26Å; Y37-Y136 HydrophobicContact CD2-CE2 3.26Å; Y37-Y136 AromaticContact CD2-CZ 3.94Å; Y37-Y136 HydrophobicContact CE2-CD2 4.41Å; Y37-Y136 AromaticContact CE2-CE2 3.82Å; Y37-Y136 HydrophobicContact CE2-CE2 3.82Å; Y37-Y136 HydrophobicContact CG-CD2 4.48Å; Y37-Y136 AromaticContact CG-CE2 3.6Å; Y37-Y136 HydrophobicContact CG-CE2 3.6Å; Y37-Y136 AromaticContact CG-CZ 3.76Å; V38-Y136 WeakPolarHBondContact O-CA 3.01Å; E39-Y136 HydrophobicContact CG-CD2 4.01Å; V64-Y136 WeakPolarHBondContact CA-O 3.36Å; R65-Y136 PolarHBondContact N-O 2.88Å; R65-Y136 PolarHBondContact O-N 2.89Å; Y136-E138 HydrophobicContact CE1-CB 4.02Å
137I95.6Very high85Confident0 Ų050.1 Ų50.10%025%0.245CC..EExtended strand (participates in β ladder)trans-130.6121.6-179.8-52.1175000109.4Y37 V38 L40 L54 I61 V64 L115 I117 V135 P180Y37-I137 CarbonylContact C-O 3.48Å; Y37-I137 WeakPolarHBondContact CA-O 3.43Å; Y37-I137 WeakPolarHBondContact CB-O 3.34Å; V38-I137 HydrophobicContact CG1-CB 3.88Å; V38-I137 PolarHBondContact N-O 3.1Å; V38-I137 PolarHBondContact O-N 3.43Å; L40-I137 HydrophobicContact CD1-CD1 3.99Å; L40-I137 HydrophobicContact CD1-CG1 4.46Å; L54-I137 HydrophobicContact CD1-CD1 3.37Å; I61-I137 HydrophobicContact CD1-CG2 4.09Å; I61-I137 HydrophobicContact CG2-CG2 3.99Å; V64-I137 HydrophobicContact CG1-CG1 4.38Å; V64-I137 HydrophobicContact CG2-CG1 4.44Å; V64-I137 HydrophobicContact CG2-CG2 4.27Å; L115-I137 HydrophobicContact CD2-CD1 4.28Å; I117-I137 HydrophobicContact CD1-CD1 3.86Å; I117-I137 HydrophobicContact CD1-CG1 4.44Å; V135-I137 HydrophobicContact CG1-CD1 4.15Å; V135-I137 HydrophobicContact CG1-CG1 3.97Å; I137-P180 HydrophobicContact CD1-CB 4.11Å; I137-P180 HydrophobicContact CG2-CB 4.39Å; I137-P180 HydrophobicContact CG2-CG 4.03Å
138E95.4Very high86.4Confident68 Ų6850.1 Ų50.132%0.31824%0.244SC..EExtended strand (participates in β ladder)trans-100.2130.7176.4-172.4175.2-174.100110.1Y62 R63 Y136Y62-E138 HydrophobicContact CD2-CG 4.28Å; Y62-E138 PolarHBondContact N-O 3.2Å; R63-E138 HydrophobicContact CB-CB 4.39Å; R63-E138 PolarHBondContact O-N 3.07Å; Y136-E138 HydrophobicContact CE1-CB 4.02Å
139F94.9Very high87.7Confident0 Ų048.2 Ų48.20%023%0.233CC..EExtended strand (participates in β ladder)trans-145.5155.7-171.967.1-84000113.6G36 V38 R60 I61 W178 F179 P180G36-F139 PolarHBondContact N-O 2.81Å; G36-F139 VanDerWaalsContact N-O 3.15Å; G36-F139 PolarHBondContact O-N 3.39Å; V38-F139 HydrophobicContact CB-CE1 4.42Å; V38-F139 HydrophobicContact CG1-CE1 4.25Å; R60-F139 CarbonylContact O-C 3.57Å; R60-F139 VanDerWaalsContact O-CA 3.26Å; R60-F139 WeakPolarHBondContact O-CA 3.42Å; I61-F139 HydrophobicContact CD1-CB 4.18Å; F139-W178 WeakPolarHBondContact CE2-O 3.49Å; F139-F179 HydrophobicContact CE1-CB 3.89Å; F139-F179 HydrophobicContact CE2-CB 3.81Å; F139-F179 HydrophobicContact CZ-CB 3.37Å; F139-P180 HydrophobicContact CD1-CG 4.44Å; F139-P180 HydrophobicContact CG-CG 4.48Å
140S94.3Very high88.9Confident0 Ų043.9 Ų43.90%021%0.21CC..EExtended strand (participates in β ladder)trans-121.2155.7161.467.80000113V34 R60 Y62 D142V34-S140 CarbonylContact O-C 3.52Å; V34-S140 VanDerWaalsContact O-CA 3.27Å; V34-S140 WeakPolarHBondContact O-CA 3.3Å; R60-S140 PolarHBondContact N-O 3.2Å; R60-S140 PolarHBondContact O-N 3.18Å; Y62-S140 PolarHBondContact OH-OG 3.47Å; S140-D142 PolarHBondContact OG-OD2 2.85Å
141L92.1Very high89.8Confident1 Ų140 Ų401%0.00519%0.19CC..EExtended strand (participates in β ladder)trans-116.3123.6159.5-71.2169.9000107.8S33 V34 Q58 C59 P144 L148 F177 W178S33-L141 CarbonylContact C-O 3.56Å; S33-L141 WeakPolarHBondContact CA-O 3.44Å; S33-L141 WeakPolarHBondContact CB-O 3.45Å; V34-L141 HydrophobicContact CB-CB 4.35Å; V34-L141 PolarHBondContact N-O 3.11Å; V34-L141 PolarHBondContact O-N 2.76Å; Q58-L141 HydrophobicContact CG-CD2 3.44Å; Q58-L141 VanDerWaalsContact CG-CD2 3.44Å; C59-L141 HydrophobicContact CB-CD2 4.38Å; L141-P144 HydrophobicContact CD1-CB 4.49Å; L141-L148 HydrophobicContact CD1-CD1 3.8Å; L141-L148 HydrophobicContact CD1-CG 4.44Å; L141-F177 WeakPolarHBondContact CD2-O 3.33Å; L141-W178 WeakPolarHBondContact CD1-O 3.27Å
142D87.9Confident90.2Very high94 Ų9435.7 Ų35.750%0.50317%0.172SC..EExtended strand (participates in β ladder)trans-113.6116.4172.3-67.5-59.7000108.1S33 S140S33-D142 WeakPolarHBondContact CB-OD1 3.32Å; S140-D142 PolarHBondContact OG-OD2 2.85Å
143Q87.1Confident90.1Very high140 Ų14034.5 Ų34.565%0.65417%0.166SC*.SBendtrans49.564-175.5-60.2-174.6-9.100113.6K32 K145K32-Q143 HydrophobicContact CB-CG 4.44Å; K32-Q143 WeakPolarHBondContact O-CA 3.37Å; K32-Q143 PolarHBondContact O-N 3.12Å; Q143-K145 PolarHBondContact O-N 3.46Å
144P86.6Confident89.5Confident20 Ų2041.3 Ų41.313%0.1320%0.202CC..  trans-59.7136.3-179.426.2-33.4000111.2K32 L141 L148 F150K32-P144 VanDerWaalsContact O-CD 3.25Å; K32-P144 WeakPolarHBondContact O-CD 3.34Å; L141-P144 HydrophobicContact CD1-CB 4.49Å; P144-L148 HydrophobicContact CB-CB 4.31Å; P144-L148 HydrophobicContact CG-CB 3.94Å; P144-F150 HydrophobicContact CG-CD2 3.92Å; P144-F150 HydrophobicContact CG-CE2 3.79Å
145K82.8Confident88.7Confident133 Ų13340.5 Ų40.558%0.57821%0.206SC*.SBendtrans-101.8-17.6-177.4-66178.3-179.4177.40113.3Q58 Q143 H909 H952Q58-K145 VanDerWaalsContact OE1-N 3.07Å; Q143-K145 PolarHBondContact O-N 3.46Å; K145-H909 PolarHBondContact O-NE2 2.86Å; K145-H952 HydrophobicContact CB-CB 3.81Å
146G84.6Confident87.5Confident1 Ų149 Ų491%0.0125%0.246CC..SBendtrans-141.7167.5170.400000110.1Q58 L148Q58-G146 PolarHBondContact NE2-O 2.87Å; G146-L148 PolarHBondContact O-N 3.28Å
147G85.1Confident86.5Confident4 Ų448 Ų484%0.04126%0.255CS..SBendtrans81-44.3174.700000115.2S168 F169G147-S168 CarbonylContact O-C 3.55Å; G147-S168 WeakPolarHBondContact O-CA 3.36Å; G147-F169 CarbonylContact C-O 3.54Å; G147-F169 VanDerWaalsContact CA-O 3.26Å; G147-F169 WeakPolarHBondContact CA-O 3.25Å; G147-F169 PolarHBondContact O-N 3.01Å
148L90.7Very high85.7Confident4 Ų450.7 Ų50.72%0.02127%0.274CS..EExtended strand (participates in β ladder)trans-127.2132171.8-66.5-176.5000109.8V34 L141 P144 G146 F167 W178V34-L148 HydrophobicContact CG2-CD1 3.76Å; L141-L148 HydrophobicContact CD1-CD1 3.8Å; L141-L148 HydrophobicContact CD1-CG 4.44Å; P144-L148 HydrophobicContact CB-CB 4.31Å; P144-L148 HydrophobicContact CG-CB 3.94Å; G146-L148 PolarHBondContact O-N 3.28Å; L148-F167 WeakPolarHBondContact CA-O 3.43Å; L148-W178 HydrophobicContact CD2-CD2 4.39Å; L148-W178 HydrophobicContact CD2-CG 4Å; L148-W178 HydrophobicContact CG-CG 4.23Å
149H91.5Very high84.9Confident17 Ų1749.8 Ų49.88%0.07927%0.271CS..EExtended strand (participates in β ladder)trans-109.2137173.2-168.741000110.8V151 V166 F167 F169 E300 P907H149-V151 VanDerWaalsContact CD2-CG2 3.48Å; H149-V151 WeakPolarHBondContact CD2-CG2 3.13Å; H149-V166 WeakPolarHBondContact O-CA 3.34Å; H149-V166 VanDerWaalsContact O-CG2 3.28Å; H149-V166 WeakPolarHBondContact O-CG2 3.32Å; H149-F167 HydrophobicContact CB-CE1 4.22Å; H149-F167 HydrophobicContact CB-CE2 4.35Å; H149-F167 HydrophobicContact CB-CZ 4.08Å; H149-F167 AromaticContact CD2-CE1 3.94Å; H149-F167 AromaticContact CD2-CZ 3.89Å; H149-F167 PolarHBondContact N-O 3.41Å; H149-F167 PolarHBondContact O-N 3.26Å; H149-F167 VanDerWaalsContact O-N 3.11Å; H149-F169 HydrophobicContact CB-CD1 3.61Å; H149-F169 HydrophobicContact CB-CE1 3.69Å; H149-E300 IonicContact CD2-OE2 2.67Å; H149-E300 IonicContact CE1-OE2 3.51Å; H149-E300 IonicContact NE2-OE2 2.67Å; H149-E300 PolarHBondContact NE2-OE2 3.45Å; H149-P907 PolarHBondContact CE1-O 2.92Å
150F91.8Very high84Confident8 Ų850.9 Ų50.94%0.03528%0.28CS..EExtended strand (participates in β ladder)trans-116.588.1-177.6-86.8-88000110.6I27 F29 K32 V34 P144 V152 V166I27-F150 HydrophobicContact CG2-CE1 3.97Å; I27-F150 HydrophobicContact CG2-CZ 4.17Å; F29-F150 AromaticContact CD1-CD1 3.93Å; F29-F150 HydrophobicContact CD1-CD1 3.93Å; F29-F150 HydrophobicContact CD1-CE1 4.15Å; F29-F150 HydrophobicContact CE1-CD1 4.31Å; F29-F150 HydrophobicContact CE1-CE1 4.42Å; K32-F150 HydrophobicContact CB-CB 4.17Å; K32-F150 HydrophobicContact CB-CD1 4.31Å; K32-F150 HydrophobicContact CB-CD2 4.07Å; K32-F150 HydrophobicContact CB-CG 3.96Å; K32-F150 HydrophobicContact CD-CB 3.75Å; K32-F150 HydrophobicContact CD-CG 4.47Å; K32-F150 HydrophobicContact CG-CB 3.91Å; K32-F150 HydrophobicContact CG-CD1 4.34Å; K32-F150 HydrophobicContact CG-CG 4.12Å; K32-F150 PolarHBondContact NZ-O 3.35Å; V34-F150 HydrophobicContact CG2-CE2 4.08Å; V34-F150 HydrophobicContact CG2-CZ 3.72Å; P144-F150 HydrophobicContact CG-CD2 3.92Å; P144-F150 HydrophobicContact CG-CE2 3.79Å; F150-V152 PolarHBondContact O-N 3.07Å; F150-V166 HydrophobicContact CD1-CB 3.79Å; F150-V166 HydrophobicContact CD1-CG2 3.87Å; F150-V166 HydrophobicContact CD2-CG2 3.9Å; F150-V166 HydrophobicContact CE1-CB 3.87Å; F150-V166 HydrophobicContact CE1-CG1 4.27Å; F150-V166 HydrophobicContact CE1-CG2 3.79Å; F150-V166 HydrophobicContact CE2-CG2 3.82Å; F150-V166 HydrophobicContact CG-CB 4.23Å; F150-V166 HydrophobicContact CG-CG2 3.93Å; F150-V166 HydrophobicContact CZ-CB 4.36Å; F150-V166 HydrophobicContact CZ-CG2 3.77Å
151V90.4Very high83.4Confident5 Ų558 Ų583%0.0331%0.313CS..EExtended strand (participates in β ladder)trans-75.7111.1174-1720000108.4H149 A164 H165 F167 E300H149-V151 VanDerWaalsContact CD2-CG2 3.48Å; H149-V151 WeakPolarHBondContact CD2-CG2 3.13Å; V151-A164 CarbonylContact O-C 3.58Å; V151-A164 WeakPolarHBondContact O-CA 3.43Å; V151-H165 PolarHBondContact N-O 3.36Å; V151-H165 PolarHBondContact O-N 2.79Å; V151-H165 VanDerWaalsContact O-O 3.09Å; V151-F167 HydrophobicContact CG2-CE1 3.88Å; V151-E300 HydrophobicContact CG2-CB 4.2Å; V151-E300 HydrophobicContact CG2-CG 4.29Å
152V87.6Confident82.9Confident17 Ų1761.3 Ų61.310%0.10333%0.325CS..  trans-134.2100.2179.1-177.20000107.4F29 F150 M159 A164F29-V152 HydrophobicContact CD1-CG2 4.34Å; F150-V152 PolarHBondContact O-N 3.07Å; V152-M159 HydrophobicContact CG1-SD 4.14Å; V152-A164 HydrophobicContact CG1-CB 4.34Å; V152-A164 HydrophobicContact CG2-CB 4.37Å
153P82.8Confident82.7Confident37 Ų3757.5 Ų57.524%0.2431%0.309CS..  trans-69138.8178.5-26.939.6000113V155 R162P153-V155 HydrophobicContact CB-CG2 4.13Å; P153-V155 PolarHBondContact O-N 2.81Å; P153-R162 WeakPolarHBondContact CD-O 3.23Å; P153-R162 VanDerWaalsContact CG-O 3.27Å; P153-R162 WeakPolarHBondContact CG-O 3.48Å
154D76.6Confident82.8Confident143 Ų14350.9 Ų50.977%0.76528%0.277SS*.  trans-81.345.5-179.6-65.5-52.8000112.6
155V75Confident83.1Confident92 Ų9250 Ų5056%0.55827%0.272SS*.  trans-101.4151.6177.6-172.90000109.5P153 R162P153-V155 HydrophobicContact CB-CG2 4.13Å; P153-V155 PolarHBondContact O-N 2.81Å; V155-R162 HydrophobicContact CB-CG 4.49Å; V155-R162 WeakPolarHBondContact O-CD 3.37Å; V155-R162 WeakPolarHBondContact O-CG 3.2Å; V155-R162 PolarHBondContact O-NE 3.49Å; V155-R162 VanDerWaalsContact O-NE 3.09Å; V155-R162 PolarHBondContact O-NH1 3.37Å; V155-R162 PolarHBondContact O-NH2 3.36Å
156E68.7Low83.7Confident180 Ų18043.9 Ų43.984%0.84125%0.245SC*.SBendtrans-67.8161.9173.4-62.6-169.816800112.6
157G75.1Confident84.1Confident43 Ų4344 Ų4444%0.44325%0.246SC..SBendtrans104.4-173.6-175.600000114.5R162G157-R162 PolarHBondContact O-NE 2.79Å; G157-R162 PolarHBondContact O-NH2 3.09Å
158S78.1Confident84.4Confident57 Ų5744.1 Ų44.140%0.39925%0.246SC..  trans-76.7166177.971.90000112.9A160 E161 R162S158-A160 VanDerWaalsContact C-N 3.26Å; S158-A160 PolarHBondContact O-N 2.88Å; S158-E161 WeakPolarHBondContact CA-OE2 3.34Å; S158-E161 WeakPolarHBondContact CB-OE2 3.47Å; S158-E161 PolarHBondContact N-OE2 3.04Å; S158-E161 PolarHBondContact O-N 3.44Å; S158-E161 VanDerWaalsContact OG-CD 3.26Å; S158-E161 WeakPolarHBondContact OG-CG 3.24Å; S158-E161 PolarHBondContact OG-N 3.35Å; S158-E161 PolarHBondContact OG-OE2 3.11Å; S158-R162 WeakPolarHBondContact O-CB 3.23Å; S158-R162 VanDerWaalsContact O-CG 3.22Å; S158-R162 WeakPolarHBondContact O-CG 3.45Å; S158-R162 PolarHBondContact O-N 3.29Å
159M78.6Confident84.1Confident50 Ų5044.5 Ų44.525%0.24625%0.247CC..THydrogen-bonded Turntrans-62.8-30.8-178.6-67.1-63.8173.800113.5F29 Q30 V152 A164 M201F29-M159 HydrophobicContact CB-SD 4.35Å; Q30-M159 HydrophobicContact CG-CE 3.78Å; V152-M159 HydrophobicContact CG1-SD 4.14Å; M159-A164 HydrophobicContact CB-CB 4.33Å; M159-A164 VanDerWaalsContact O-CB 3.31Å; M159-A164 WeakPolarHBondContact O-CB 3.24Å; M159-A164 PolarHBondContact O-N 2.91Å; M159-A164 HydrophobicContact SD-CB 4.2Å; M159-M201 HydrophobicContact CB-CE 4.03Å
160A77.3Confident82.9Confident23 Ų2344.4 Ų44.419%0.1925%0.251CS..THydrogen-bonded Turntrans-74-42.8175.600000111.8S158 R162 G163 M201 P242S158-A160 VanDerWaalsContact C-N 3.26Å; S158-A160 PolarHBondContact O-N 2.88Å; A160-R162 VanDerWaalsContact C-N 3.32Å; A160-R162 PolarHBondContact O-N 3.41Å; A160-G163 PolarHBondContact O-N 2.94Å; A160-M201 HydrophobicContact CB-CE 4.29Å; A160-P242 HydrophobicContact CB-CB 4.11Å
161E80.4Confident81.7Confident149 Ų14946.1 Ų46.170%0.69626%0.258SS*.THydrogen-bonded Turntrans-65.3-34.2176.6-68.2160.5137.700112.2S158 G163S158-E161 WeakPolarHBondContact CA-OE2 3.34Å; S158-E161 WeakPolarHBondContact CB-OE2 3.47Å; S158-E161 PolarHBondContact N-OE2 3.04Å; S158-E161 PolarHBondContact O-N 3.44Å; S158-E161 VanDerWaalsContact OG-CD 3.26Å; S158-E161 WeakPolarHBondContact OG-CG 3.24Å; S158-E161 PolarHBondContact OG-N 3.35Å; S158-E161 PolarHBondContact OG-OE2 3.11Å; E161-G163 PolarHBondContact O-N 2.95Å
162R81.5Confident80.9Confident70 Ų7046.7 Ų46.726%0.26426%0.26SS..THydrogen-bonded Turntrans-67.5-9.9170.8-68.6170.4-162.9-121-5.3114P153 V155 G157 S158 A160 A164P153-R162 WeakPolarHBondContact CD-O 3.23Å; P153-R162 VanDerWaalsContact CG-O 3.27Å; P153-R162 WeakPolarHBondContact CG-O 3.48Å; V155-R162 HydrophobicContact CB-CG 4.49Å; V155-R162 WeakPolarHBondContact O-CD 3.37Å; V155-R162 WeakPolarHBondContact O-CG 3.2Å; V155-R162 PolarHBondContact O-NE 3.49Å; V155-R162 VanDerWaalsContact O-NE 3.09Å; V155-R162 PolarHBondContact O-NH1 3.37Å; V155-R162 PolarHBondContact O-NH2 3.36Å; G157-R162 PolarHBondContact O-NE 2.79Å; G157-R162 PolarHBondContact O-NH2 3.09Å; S158-R162 WeakPolarHBondContact O-CB 3.23Å; S158-R162 VanDerWaalsContact O-CG 3.22Å; S158-R162 WeakPolarHBondContact O-CG 3.45Å; S158-R162 PolarHBondContact O-N 3.29Å; A160-R162 VanDerWaalsContact C-N 3.32Å; A160-R162 PolarHBondContact O-N 3.41Å; R162-A164 PolarHBondContact O-N 2.66Å
163G83.6Confident80.7Confident15 Ų1546 Ų4616%0.15526%0.256CS..THydrogen-bonded Turntrans66.522-172.200000114.1A160 E161 H165A160-G163 PolarHBondContact O-N 2.94Å; E161-G163 PolarHBondContact O-N 2.95Å; G163-H165 PolarHBondContact O-N 2.61Å; G163-H165 PolarHBondContact O-ND1 2.67Å
164A90.9Very high80.8Confident0 Ų044.8 Ų44.80%025%0.248CC..  trans-66.3129.5-175.600000111.2V151 V152 M159 R162 M201 P242V151-A164 CarbonylContact O-C 3.58Å; V151-A164 WeakPolarHBondContact O-CA 3.43Å; V152-A164 HydrophobicContact CG1-CB 4.34Å; V152-A164 HydrophobicContact CG2-CB 4.37Å; M159-A164 HydrophobicContact CB-CB 4.33Å; M159-A164 VanDerWaalsContact O-CB 3.31Å; M159-A164 WeakPolarHBondContact O-CB 3.24Å; M159-A164 PolarHBondContact O-N 2.91Å; M159-A164 HydrophobicContact SD-CB 4.2Å; R162-A164 PolarHBondContact O-N 2.66Å; A164-M201 WeakPolarHBondContact O-CE 3.3Å; A164-P242 WeakPolarHBondContact O-CD 3.47Å
165H93.1Very high81.4Confident2 Ų238.4 Ų38.41%0.00921%0.214CC..EExtended strand (participates in β ladder)trans-145.6153.7-174.460.2-77.1000111.9V151 G163 F167 V240 L259 D299V151-H165 PolarHBondContact N-O 3.36Å; V151-H165 PolarHBondContact O-N 2.79Å; V151-H165 VanDerWaalsContact O-O 3.09Å; G163-H165 PolarHBondContact O-N 2.61Å; G163-H165 PolarHBondContact O-ND1 2.67Å; H165-F167 AromaticContact CD2-CD1 3.93Å; H165-V240 CarbonylContact C-O 3.59Å; H165-V240 VanDerWaalsContact CA-O 3.26Å; H165-V240 WeakPolarHBondContact CA-O 3.42Å; H165-V240 WeakPolarHBondContact CB-O 3.41Å; H165-L259 HydrophobicContact CB-CD2 4.31Å; H165-D299 PolarHBondContact NE2-N 3.22Å; H165-D299 VanDerWaalsContact NE2-N 3.12Å
166V93.8Very high82.2Confident4 Ų434.1 Ų34.12%0.02419%0.188CC..EExtended strand (participates in β ladder)trans-126.1136.4176.357.60000108.8I27 F29 H149 F150 A239 V240I27-V166 HydrophobicContact CG2-CG1 3.97Å; F29-V166 HydrophobicContact CE1-CB 3.95Å; F29-V166 HydrophobicContact CE1-CG1 3.77Å; F29-V166 HydrophobicContact CZ-CG1 3.83Å; H149-V166 WeakPolarHBondContact O-CA 3.34Å; H149-V166 VanDerWaalsContact O-CG2 3.28Å; H149-V166 WeakPolarHBondContact O-CG2 3.32Å; F150-V166 HydrophobicContact CD1-CB 3.79Å; F150-V166 HydrophobicContact CD1-CG2 3.87Å; F150-V166 HydrophobicContact CD2-CG2 3.9Å; F150-V166 HydrophobicContact CE1-CB 3.87Å; F150-V166 HydrophobicContact CE1-CG1 4.27Å; F150-V166 HydrophobicContact CE1-CG2 3.79Å; F150-V166 HydrophobicContact CE2-CG2 3.82Å; F150-V166 HydrophobicContact CG-CB 4.23Å; F150-V166 HydrophobicContact CG-CG2 3.93Å; F150-V166 HydrophobicContact CZ-CB 4.36Å; F150-V166 HydrophobicContact CZ-CG2 3.77Å; V166-A239 CarbonylContact O-C 3.5Å; V166-A239 WeakPolarHBondContact O-CA 3.31Å; V166-V240 HydrophobicContact CG1-CB 3.78Å; V166-V240 HydrophobicContact CG1-CG2 4.35Å; V166-V240 PolarHBondContact N-O 3.32Å; V166-V240 PolarHBondContact O-N 2.95Å
167F93.9Very high83.2Confident4 Ų425.7 Ų25.72%0.01815%0.149CC..EExtended strand (participates in β ladder)trans-140.7148.5175.561.3-86.3000111.8L148 H149 V151 H165 F169 L238 A239 V298 D299L148-F167 WeakPolarHBondContact CA-O 3.43Å; H149-F167 HydrophobicContact CB-CE1 4.22Å; H149-F167 HydrophobicContact CB-CE2 4.35Å; H149-F167 HydrophobicContact CB-CZ 4.08Å; H149-F167 AromaticContact CD2-CE1 3.94Å; H149-F167 AromaticContact CD2-CZ 3.89Å; H149-F167 PolarHBondContact N-O 3.41Å; H149-F167 PolarHBondContact O-N 3.26Å; H149-F167 VanDerWaalsContact O-N 3.11Å; V151-F167 HydrophobicContact CG2-CE1 3.88Å; H165-F167 AromaticContact CD2-CD1 3.93Å; F167-F169 HydrophobicContact CD2-CB 4.08Å; F167-F169 HydrophobicContact CE2-CB 3.89Å; F167-L238 CarbonylContact C-O 3.58Å; F167-L238 WeakPolarHBondContact CA-O 3.47Å; F167-A239 HydrophobicContact CB-CB 4.15Å; F167-V298 HydrophobicContact CB-CG1 4.16Å; F167-V298 HydrophobicContact CD1-CB 3.77Å; F167-V298 HydrophobicContact CD1-CG1 3.94Å; F167-V298 HydrophobicContact CD1-CG2 3.91Å; F167-V298 HydrophobicContact CD2-CG2 4.02Å; F167-V298 HydrophobicContact CE1-CB 3.85Å; F167-V298 HydrophobicContact CE1-CG2 3.77Å; F167-V298 HydrophobicContact CE2-CG2 3.89Å; F167-V298 HydrophobicContact CG-CB 4.2Å; F167-V298 HydrophobicContact CG-CG1 4.06Å; F167-V298 HydrophobicContact CG-CG2 4.03Å; F167-V298 HydrophobicContact CZ-CB 4.36Å; F167-V298 HydrophobicContact CZ-CG2 3.76Å; F167-D299 VanDerWaalsContact CE1-O 3.24Å; F167-D299 WeakPolarHBondContact CE1-O 3.38Å; F167-D299 WeakPolarHBondContact CZ-O 3.44Å
168S91.9Very high83.8Confident6 Ų623.8 Ų23.84%0.04213%0.128CC..EExtended strand (participates in β ladder)trans-72.9129.7168.662.20000109.9G147 S237 L238G147-S168 CarbonylContact O-C 3.55Å; G147-S168 WeakPolarHBondContact O-CA 3.36Å; S168-S237 VanDerWaalsContact OG-CA 3.22Å; S168-S237 WeakPolarHBondContact OG-CA 3.43Å; S168-S237 WeakPolarHBondContact OG-CB 3.46Å; S168-L238 PolarHBondContact N-O 3.25Å; S168-L238 PolarHBondContact OG-N 3.4Å; S168-L238 PolarHBondContact OG-O 2.85Å
169F84.4Confident84.5Confident12 Ų1221.1 Ų21.15%0.05311%0.109CC..  trans-134156.3174.878.2-83.9000109.5G147 H149 F167 Y302 H909G147-F169 CarbonylContact C-O 3.54Å; G147-F169 VanDerWaalsContact CA-O 3.26Å; G147-F169 WeakPolarHBondContact CA-O 3.25Å; G147-F169 PolarHBondContact O-N 3.01Å; H149-F169 HydrophobicContact CB-CD1 3.61Å; H149-F169 HydrophobicContact CB-CE1 3.69Å; F167-F169 HydrophobicContact CD2-CB 4.08Å; F167-F169 HydrophobicContact CE2-CB 3.89Å; F169-Y302 HydrophobicContact CD2-CD1 4.22Å; F169-Y302 AromaticContact CD2-CD2 3.51Å; F169-Y302 HydrophobicContact CD2-CD2 3.51Å; F169-Y302 HydrophobicContact CD2-CE2 4.18Å; F169-Y302 AromaticContact CD2-CG 3.53Å; F169-Y302 HydrophobicContact CD2-CG 3.53Å; F169-Y302 AromaticContact CE2-CD2 3.59Å; F169-Y302 HydrophobicContact CE2-CD2 3.59Å; F169-Y302 AromaticContact CE2-CE2 3.97Å; F169-Y302 HydrophobicContact CE2-CE2 3.97Å; F169-Y302 HydrophobicContact CE2-CG 4.12Å; F169-Y302 HydrophobicContact CG-CG 4.49Å; F169-H909 AromaticContact CZ-CD2 3.9Å; F169-H909 AromaticContact CZ-CE1 3.59Å; F169-H909 AromaticContact CZ-NE2 3.52Å
170G65.8Low85.2Confident16 Ų1618.7 Ų18.717%0.16510%0.098CC..  trans168.8179.7175.600000112.5S174G170-S174 VanDerWaalsContact CA-OG 3.31Å; G170-S174 WeakPolarHBondContact CA-OG 3.42Å
171Y67.1Low85.9Confident44 Ų4417.6 Ų17.617%0.1739%0.089CC..SBendtrans-133.1110178-179.2-107.4000109.3N173 S174 W432 F435Y171-N173 PolarHBondContact O-N 3.37Å; Y171-S174 PolarHBondContact N-OG 3.21Å; Y171-S174 PolarHBondContact O-OG 3.35Å; Y171-W432 HydrophobicContact CD2-CZ3 4.15Å; Y171-W432 HydrophobicContact CE2-CZ3 4.14Å; Y171-F435 HydrophobicContact CE2-CD1 4.11Å; Y171-F435 AromaticContact CE2-CE1 3.66Å; Y171-F435 HydrophobicContact CE2-CE1 3.66Å; Y171-F435 HydrophobicContact CE2-CZ 4.13Å; Y171-F435 AromaticContact CZ-CD1 3.8Å; Y171-F435 AromaticContact CZ-CE1 3.65Å; Y171-F435 AromaticContact CZ-CZ 3.94Å; Y171-F435 VanDerWaalsContact OH-CD1 3.24Å; Y171-F435 WeakPolarHBondContact OH-CD1 3.16Å; Y171-F435 VanDerWaalsContact OH-CD2 3.25Å; Y171-F435 WeakPolarHBondContact OH-CD2 3.45Å; Y171-F435 WeakPolarHBondContact OH-CE1 3.49Å; Y171-F435 WeakPolarHBondContact OH-CE2 3.43Å; Y171-F435 WeakPolarHBondContact OH-CG 3.44Å; Y171-F435 WeakPolarHBondContact OH-CZ 3.39Å
172Q73Confident86.4Confident16 Ų1610.6 Ų10.68%0.0756%0.056CC..SBendtrans55.8-114.5-172.4-62.8-175.645.700112.8S174 Y185 W353Q172-S174 PolarHBondContact O-N 2.92Å; Q172-Y185 WeakPolarHBondContact CA-OH 3.3Å; Q172-Y185 HydrophobicContact CB-CE2 3.86Å; Q172-Y185 HydrophobicContact CG-CE2 4.17Å; Q172-W353 VanDerWaalsContact CD-CZ3 3.45Å; Q172-W353 VanDerWaalsContact NE2-CH2 3.33Å; Q172-W353 VanDerWaalsContact OE1-CE3 3.23Å
173N83Confident86.7Confident2 Ų27.3 Ų7.31%0.0114%0.043CC..SBendtrans-77.572.5-172-44.2-6.4000109.7Y171 D183 H428Y171-N173 PolarHBondContact O-N 3.37Å; N173-D183 VanDerWaalsContact CA-OD2 3.28Å; N173-D183 WeakPolarHBondContact CA-OD2 3.49Å; N173-D183 VanDerWaalsContact CB-OD2 3.26Å; N173-D183 WeakPolarHBondContact CB-OD2 3.45Å; N173-H428 WeakPolarHBondContact CA-CE1 3.49Å; N173-H428 WeakPolarHBondContact CB-CE1 3.25Å; N173-H428 WeakPolarHBondContact CB-NE2 3.4Å; N173-H428 PolarHBondContact N-CE1 3.18Å; N173-H428 VanDerWaalsContact N-CE1 3.34Å; N173-H428 PolarHBondContact ND2-NE2 2.93Å; N173-H428 VanDerWaalsContact ND2-NE2 3.14Å; N173-H428 PolarHBondContact O-CE1 3.07Å
174S85Confident86.9Confident12 Ų126.6 Ų6.68%0.0844%0.036CC..  trans-114.8-10.6177.9-67.20000112.9G170 Y171 Q172 R176 F177G170-S174 VanDerWaalsContact CA-OG 3.31Å; G170-S174 WeakPolarHBondContact CA-OG 3.42Å; Y171-S174 PolarHBondContact N-OG 3.21Å; Y171-S174 PolarHBondContact O-OG 3.35Å; Q172-S174 PolarHBondContact O-N 2.92Å; S174-R176 PolarHBondContact O-N 3.04Å; S174-F177 WeakPolarHBondContact O-CB 3.5Å; S174-F177 PolarHBondContact O-N 2.62Å
175T90.3Very high86.7Confident9 Ų97.8 Ų7.86%0.0554%0.041CC..G310 helixtrans-63.7-26-179-54.50000111.6F177 W178 F179 D183 A233 P234T175-F177 PolarHBondContact O-N 3.3Å; T175-F177 VanDerWaalsContact O-N 3.09Å; T175-W178 HydrophobicContact CG2-CE3 4.32Å; T175-W178 PolarHBondContact O-N 3.21Å; T175-F179 HydrophobicContact CG2-CD1 3.98Å; T175-F179 HydrophobicContact CG2-CE1 3.32Å; T175-F179 HydrophobicContact CG2-CE2 4.47Å; T175-F179 HydrophobicContact CG2-CZ 3.6Å; T175-F179 PolarHBondContact O-N 2.87Å; T175-D183 WeakPolarHBondContact CB-OD1 3.37Å; T175-D183 PolarHBondContact N-OD1 3.42Å; T175-A233 HydrophobicContact CG2-CB 4.33Å; T175-A233 PolarHBondContact OG1-O 3.23Å; T175-P234 WeakPolarHBondContact OG1-CA 3.32Å
176R90Very high86.3Confident2 Ų28.3 Ų8.31%0.0085%0.045CC..G310 helixtrans-54.5-24.8169.474.2-178.670.5-138.8-9.3114.9N55 S56 K57 E114 S174 D183N55-R176 HydrophobicContact CB-CB 3.92Å; N55-R176 PolarHBondContact ND2-NH1 3.36Å; N55-R176 VanDerWaalsContact ND2-NH1 3.16Å; S56-R176 CarbonylContact C-O 3.54Å; S56-R176 WeakPolarHBondContact CA-O 3.31Å; K57-R176 HydrophobicContact CB-CG 4.43Å; K57-R176 HydrophobicContact CG-CG 4.29Å; K57-R176 PolarHBondContact N-O 2.95Å; E114-R176 WeakPolarHBondContact OE1-CD 3.38Å; E114-R176 IonicContact OE1-CZ 3.36Å; E114-R176 IonicContact OE1-NE 3.32Å; E114-R176 IonicContact OE1-NH1 3.49Å; E114-R176 PolarHBondContact OE1-NH1 3Å; E114-R176 IonicContact OE2-NH1 2.67Å; E114-R176 PolarHBondContact OE2-NH1 3.01Å; S174-R176 PolarHBondContact O-N 3.04Å; R176-D183 HydrophobicContact CB-CB 4.14Å; R176-D183 WeakPolarHBondContact CB-OD2 3.34Å; R176-D183 WeakPolarHBondContact CG-OD2 3.31Å; R176-D183 IonicContact CZ-OD2 2.69Å; R176-D183 VanDerWaalsContact CZ-OD2 3.24Å; R176-D183 PolarHBondContact N-OD2 2.9Å; R176-D183 IonicContact NE-OD2 2.69Å; R176-D183 PolarHBondContact NE-OD2 3.25Å; R176-D183 IonicContact NH2-OD2 2.62Å; R176-D183 PolarHBondContact NH2-OD2 3.44Å
177F90.1Very high86Confident3 Ų38.6 Ų8.61%0.0135%0.046CC..G310 helixtrans-82.9-18177.2-71.7-61.1000113K57 Q58 L141 S174 T175 H952 W954K57-F177 HydrophobicContact CB-CD1 3.55Å; K57-F177 HydrophobicContact CB-CE1 3.6Å; K57-F177 HydrophobicContact CD-CE1 3.92Å; K57-F177 HydrophobicContact CD-CZ 4.27Å; K57-F177 HydrophobicContact CG-CE1 4.37Å; Q58-F177 PolarHBondContact NE2-O 3.18Å; L141-F177 WeakPolarHBondContact CD2-O 3.33Å; S174-F177 WeakPolarHBondContact O-CB 3.5Å; S174-F177 PolarHBondContact O-N 2.62Å; T175-F177 PolarHBondContact O-N 3.3Å; T175-F177 VanDerWaalsContact O-N 3.09Å; F177-H952 HydrophobicContact CE1-CB 4.44Å; F177-H952 WeakPolarHBondContact CE2-O 3.42Å; F177-H952 VanDerWaalsContact CZ-O 3.23Å; F177-H952 WeakPolarHBondContact CZ-O 3.42Å; F177-W954 HydrophobicContact CE1-CH2 4.35Å; F177-W954 HydrophobicContact CE1-CZ2 4.3Å; F177-W954 AromaticContact CE2-CE2 3.7Å; F177-W954 HydrophobicContact CE2-CH2 4.1Å; F177-W954 AromaticContact CE2-CZ2 3.35Å; F177-W954 HydrophobicContact CE2-CZ2 3.35Å; F177-W954 AromaticContact CE2-NE1 3.85Å; F177-W954 AromaticContact CZ-CE2 3.92Å; F177-W954 AromaticContact CZ-CH2 3.47Å; F177-W954 HydrophobicContact CZ-CH2 3.47Å; F177-W954 VanDerWaalsContact CZ-CH2 3.47Å; F177-W954 AromaticContact CZ-CZ2 3.21Å; F177-W954 HydrophobicContact CZ-CZ2 3.21Å; F177-W954 HydrophobicContact CZ-CZ3 4.43Å
178W88.8Confident85.8Confident4 Ų49 Ų92%0.0155%0.048CC..THydrogen-bonded Turntrans-97.2-45.9-178.7176.223.6000111.8I24 F139 L141 L148 T175 F195 I236 L238I24-W178 HydrophobicContact CD1-CZ2 4.1Å; F139-W178 WeakPolarHBondContact CE2-O 3.49Å; L141-W178 WeakPolarHBondContact CD1-O 3.27Å; L148-W178 HydrophobicContact CD2-CD2 4.39Å; L148-W178 HydrophobicContact CD2-CG 4Å; L148-W178 HydrophobicContact CG-CG 4.23Å; T175-W178 HydrophobicContact CG2-CE3 4.32Å; T175-W178 PolarHBondContact O-N 3.21Å; W178-F195 HydrophobicContact CH2-CZ 4.35Å; W178-F195 HydrophobicContact CZ2-CE1 4Å; W178-F195 HydrophobicContact CZ2-CZ 4.26Å; W178-I236 HydrophobicContact CH2-CG2 4.14Å; W178-I236 HydrophobicContact CZ3-CB 4.44Å; W178-I236 HydrophobicContact CZ3-CG2 3.96Å; W178-L238 HydrophobicContact CH2-CB 3.79Å; W178-L238 HydrophobicContact CZ2-CB 3.71Å; W178-L238 HydrophobicContact CZ2-CD2 3.91Å; W178-L238 HydrophobicContact CZ2-CG 4.46Å
179F92.7Very high85.7Confident0 Ų08.7 Ų8.70%05%0.046CC..SBendtrans-154.8160173.965.1-85000112.9V22 V38 F139 T175 C181 W191V22-F179 HydrophobicContact CG1-CD1 4.47Å; V22-F179 HydrophobicContact CG2-CD2 4.09Å; V22-F179 HydrophobicContact CG2-CE1 4.25Å; V22-F179 HydrophobicContact CG2-CE2 3.66Å; V22-F179 HydrophobicContact CG2-CZ 3.77Å; V38-F179 HydrophobicContact CB-CD2 4.34Å; V38-F179 HydrophobicContact CG2-CD2 4.09Å; V38-F179 HydrophobicContact CG2-CE2 4.29Å; F139-F179 HydrophobicContact CE1-CB 3.89Å; F139-F179 HydrophobicContact CE2-CB 3.81Å; F139-F179 HydrophobicContact CZ-CB 3.37Å; T175-F179 HydrophobicContact CG2-CD1 3.98Å; T175-F179 HydrophobicContact CG2-CE1 3.32Å; T175-F179 HydrophobicContact CG2-CE2 4.47Å; T175-F179 HydrophobicContact CG2-CZ 3.6Å; T175-F179 PolarHBondContact O-N 2.87Å; F179-C181 HydrophobicContact CD2-CB 3.93Å; F179-C181 HydrophobicContact CE2-CB 3.58Å; F179-C181 HydrophobicContact CZ-CB 4.25Å; F179-C181 PolarHBondContact O-N 3.33Å; F179-C181 PolarHBondContact O-SG 3.04Å; F179-C181 VanDerWaalsContact O-SG 3.37Å; F179-W191 AromaticContact CE2-CH2 3.96Å; F179-W191 HydrophobicContact CE2-CH2 3.96Å; F179-W191 AromaticContact CE2-CZ3 3.72Å; F179-W191 HydrophobicContact CE2-CZ3 3.72Å; F179-W191 AromaticContact CZ-CH2 3.66Å; F179-W191 HydrophobicContact CZ-CH2 3.66Å; F179-W191 AromaticContact CZ-CZ3 3.46Å; F179-W191 HydrophobicContact CZ-CZ3 3.46Å; F179-W191 VanDerWaalsContact CZ-CZ3 3.46Å
180P93.6Very high86.1Confident0 Ų08.8 Ų8.80%05%0.047CC..SBendtrans-66.4115176.9-20.534.3000111.9N55 I61 L115 I137 F139N55-P180 WeakPolarHBondContact O-CA 3.39Å; I61-P180 HydrophobicContact CD1-CG 3.55Å; L115-P180 HydrophobicContact CD2-CB 4.05Å; I137-P180 HydrophobicContact CD1-CB 4.11Å; I137-P180 HydrophobicContact CG2-CB 4.39Å; I137-P180 HydrophobicContact CG2-CG 4.03Å; F139-P180 HydrophobicContact CD1-CG 4.44Å; F139-P180 HydrophobicContact CG-CG 4.48Å
181C91.8Very high87.5Confident0 Ų08 Ų80%04%0.04CC..BIsolated β-bridgetrans-148.2175.7-173.358.80000111.6N55 F179 A233N55-C181 WeakPolarHBondContact CA-O 3.28Å; N55-C181 WeakPolarHBondContact CB-O 3.38Å; N55-C181 PolarHBondContact N-O 2.91Å; N55-C181 PolarHBondContact O-N 2.78Å; F179-C181 HydrophobicContact CD2-CB 3.93Å; F179-C181 HydrophobicContact CE2-CB 3.58Å; F179-C181 HydrophobicContact CZ-CB 4.25Å; F179-C181 PolarHBondContact O-N 3.33Å; F179-C181 PolarHBondContact O-SG 3.04Å; F179-C181 VanDerWaalsContact O-SG 3.37Å; C181-A233 HydrophobicContact CB-CB 4.34Å
182V90.1Very high88.8Confident2 Ų29.5 Ų9.51%0.0125%0.047CC..  trans-92.1102.2162.5-179.80000107.8R13 F15 L17 L54 S184 E187R13-V182 VanDerWaalsContact NH1-CG1 3.28Å; F15-V182 HydrophobicContact CE2-CG2 4.23Å; F15-V182 HydrophobicContact CZ-CG2 4.5Å; L17-V182 HydrophobicContact CD1-CB 3.87Å; L17-V182 HydrophobicContact CD1-CG2 3.78Å; L17-V182 HydrophobicContact CG-CG2 4.45Å; L54-V182 HydrophobicContact CD2-CG2 3.58Å; V182-S184 PolarHBondContact O-N 3.46Å; V182-E187 HydrophobicContact CG1-CB 4.4Å; V182-E187 HydrophobicContact CG1-CG 3.84Å
183D88.2Confident89.9Confident0 Ų08.7 Ų8.70%04%0.043CC..  trans-90.257.5-166.1-172.537000111.1N55 P108 N173 T175 R176N55-D183 HydrophobicContact CB-CB 3.75Å; N55-D183 PolarHBondContact OD1-N 2.98Å; N55-D183 VanDerWaalsContact OD1-N 3.17Å; P108-D183 VanDerWaalsContact CG-O 3.24Å; P108-D183 WeakPolarHBondContact CG-O 3.44Å; N173-D183 VanDerWaalsContact CA-OD2 3.28Å; N173-D183 WeakPolarHBondContact CA-OD2 3.49Å; N173-D183 VanDerWaalsContact CB-OD2 3.26Å; N173-D183 WeakPolarHBondContact CB-OD2 3.45Å; T175-D183 WeakPolarHBondContact CB-OD1 3.37Å; T175-D183 PolarHBondContact N-OD1 3.42Å; R176-D183 HydrophobicContact CB-CB 4.14Å; R176-D183 WeakPolarHBondContact CB-OD2 3.34Å; R176-D183 WeakPolarHBondContact CG-OD2 3.31Å; R176-D183 IonicContact CZ-OD2 2.69Å; R176-D183 VanDerWaalsContact CZ-OD2 3.24Å; R176-D183 PolarHBondContact N-OD2 2.9Å; R176-D183 IonicContact NE-OD2 2.69Å; R176-D183 PolarHBondContact NE-OD2 3.25Å; R176-D183 IonicContact NH2-OD2 2.62Å; R176-D183 PolarHBondContact NH2-OD2 3.44Å
184S87.8Confident90.6Very high0 Ų09.6 Ų9.60%05%0.047CC..  trans-124.7146.9179.6178.50000110.9D109 V182 S186D109-S184 WeakPolarHBondContact OD1-CB 3.37Å; D109-S184 PolarHBondContact OD1-OG 3.04Å; V182-S184 PolarHBondContact O-N 3.46Å; S184-S186 VanDerWaalsContact C-N 3.26Å; S184-S186 PolarHBondContact O-N 3.4Å; S184-S186 PolarHBondContact OG-N 2.97Å; S184-S186 PolarHBondContact OG-OG 3.48Å
185Y85.4Confident91Very high25 Ų259 Ų910%0.0984%0.043CC..THydrogen-bonded Turntrans-71.9-16.7170.3-78.4-91.6000113.6Q172 P234 N235 S349 R350Q172-Y185 WeakPolarHBondContact CA-OH 3.3Å; Q172-Y185 HydrophobicContact CB-CE2 3.86Å; Q172-Y185 HydrophobicContact CG-CE2 4.17Å; Y185-P234 HydrophobicContact CD1-CB 4.43Å; Y185-P234 HydrophobicContact CD2-CB 4.08Å; Y185-P234 HydrophobicContact CD2-CG 3.83Å; Y185-P234 HydrophobicContact CE1-CB 3.86Å; Y185-P234 HydrophobicContact CE2-CB 3.44Å; Y185-P234 VanDerWaalsContact CE2-CB 3.44Å; Y185-P234 HydrophobicContact CE2-CG 3.64Å; Y185-P234 HydrophobicContact CG-CG 4.35Å; Y185-P234 WeakPolarHBondContact OH-CB 3.48Å; Y185-N235 WeakPolarHBondContact CE1-OD1 3.43Å; Y185-S349 WeakPolarHBondContact CD1-OG 3.26Å; Y185-R350 VanDerWaalsContact CD2-NH2 3.34Å; Y185-R350 HydrophobicContact CG-CG 4.19Å
186S86.4Confident91.2Very high13 Ų139.4 Ų9.49%0.0915%0.045CC..THydrogen-bonded Turntrans-81.8-16.4-177.782.50000114.2R13 S184 L486R13-S186 PolarHBondContact NH2-OG 2.95Å; S184-S186 VanDerWaalsContact C-N 3.26Å; S184-S186 PolarHBondContact O-N 3.4Å; S184-S186 PolarHBondContact OG-N 2.97Å; S184-S186 PolarHBondContact OG-OG 3.48Å; S186-L486 WeakPolarHBondContact O-CD1 3.25Å
187E87.3Confident91.4Very high11 Ų119.5 Ų9.55%0.0515%0.046CC..  trans-102.493.2-174.2-62.8-62.3147.800111.1S11 R13 V182S11-E187 WeakPolarHBondContact CB-OE1 3.38Å; S11-E187 PolarHBondContact OG-OE1 3.13Å; R13-E187 IonicContact CZ-OE1 2.68Å; R13-E187 VanDerWaalsContact CZ-OE1 3.3Å; R13-E187 IonicContact NE-OE1 3.45Å; R13-E187 PolarHBondContact NE-OE1 3.47Å; R13-E187 IonicContact NE-OE2 3.67Å; R13-E187 VanDerWaalsContact NH2-CG 3.32Å; R13-E187 IonicContact NH2-OE1 2.66Å; R13-E187 PolarHBondContact NH2-OE1 3.2Å; V182-E187 HydrophobicContact CG1-CB 4.4Å; V182-E187 HydrophobicContact CG1-CG 3.84Å
188L89.2Confident91.4Very high12 Ų1213.3 Ų13.36%0.0637%0.067CC..EExtended strand (participates in β ladder)trans-84.5128.3179.5-55.4176.2000110.9P230 A232 W482 M485 L486L188-P230 HydrophobicContact CB-CB 4.21Å; L188-A232 HydrophobicContact CD2-CB 4.18Å; L188-W482 HydrophobicContact CD1-CB 4.35Å; L188-W482 WeakPolarHBondContact CD1-O 3.34Å; L188-M485 HydrophobicContact CD1-CB 3.81Å; L188-M485 HydrophobicContact CD1-SD 4.27Å; L188-L486 HydrophobicContact CD1-CD2 3.89Å; L188-L486 HydrophobicContact CD1-CG 4.18Å; L188-L486 HydrophobicContact CD2-CD2 4.28Å; L188-L486 HydrophobicContact CG-CD2 4.02Å
189C89.9Confident91.4Very high0 Ų014.4 Ų14.40%08%0.077CC..EExtended strand (participates in β ladder)trans-146.7161.8178.254.70000111.8L17 Q20 W191 P230 T231L17-C189 HydrophobicContact CB-CB 4.19Å; Q20-C189 PolarHBondContact NE2-SG 3.34Å; C189-W191 VanDerWaalsContact O-CD1 3.22Å; C189-W191 PolarHBondContact O-NE1 2.77Å; C189-W191 VanDerWaalsContact SG-CZ2 3.57Å; C189-P230 CarbonylContact O-C 3.52Å; C189-P230 WeakPolarHBondContact O-CA 3.42Å; C189-T231 PolarHBondContact N-O 2.83Å; C189-T231 PolarHBondContact O-N 3.09Å; C189-T231 VanDerWaalsContact O-O 3.08Å
190T92.6Very high91.2Very high13 Ų1317.3 Ų17.38%0.0810%0.097CC..EExtended strand (participates in β ladder)trans-90.1150.6176.558.40000110.4T18 H19 Q20 P228 P230 W482T18-T190 PolarHBondContact O-N 2.83Å; T18-T190 PolarHBondContact O-OG1 3.3Å; H19-T190 CarbonylContact C-O 3.44Å; H19-T190 VanDerWaalsContact CA-O 3.31Å; H19-T190 WeakPolarHBondContact CA-O 3.37Å; H19-T190 PolarHBondContact ND1-O 3.43Å; H19-T190 PolarHBondContact ND1-OG1 3.02Å; Q20-T190 PolarHBondContact N-O 2.76Å; T190-P228 WeakPolarHBondContact CG2-O 3.45Å; T190-P230 HydrophobicContact CG2-CB 4.45Å; T190-W482 HydrophobicContact CG2-CH2 4.19Å; T190-W482 HydrophobicContact CG2-CZ2 4.48Å
191W94.4Very high91.1Very high1 Ų117.3 Ų17.30%0.00410%0.097CC..EExtended strand (participates in β ladder)trans-126.6138.9-171.6-60.381000112.9Q20 V22 F179 C189 L193 L227 T231 A233 I236Q20-W191 HydrophobicContact CB-CD2 4.17Å; Q20-W191 HydrophobicContact CB-CE3 3.6Å; Q20-W191 HydrophobicContact CB-CH2 4.14Å; Q20-W191 HydrophobicContact CB-CZ3 3.58Å; Q20-W191 VanDerWaalsContact CD-CH2 3.45Å; Q20-W191 HydrophobicContact CG-CH2 4.36Å; Q20-W191 HydrophobicContact CG-CZ3 4.25Å; Q20-W191 WeakPolarHBondContact O-CA 3.42Å; V22-W191 HydrophobicContact CG2-CE3 4.05Å; V22-W191 HydrophobicContact CG2-CZ3 3.78Å; F179-W191 AromaticContact CE2-CH2 3.96Å; F179-W191 HydrophobicContact CE2-CH2 3.96Å; F179-W191 AromaticContact CE2-CZ3 3.72Å; F179-W191 HydrophobicContact CE2-CZ3 3.72Å; F179-W191 AromaticContact CZ-CH2 3.66Å; F179-W191 HydrophobicContact CZ-CH2 3.66Å; F179-W191 AromaticContact CZ-CZ3 3.46Å; F179-W191 HydrophobicContact CZ-CZ3 3.46Å; F179-W191 VanDerWaalsContact CZ-CZ3 3.46Å; C189-W191 VanDerWaalsContact O-CD1 3.22Å; C189-W191 PolarHBondContact O-NE1 2.77Å; C189-W191 VanDerWaalsContact SG-CZ2 3.57Å; W191-L193 HydrophobicContact CB-CD2 4.11Å; W191-L193 HydrophobicContact CB-CG 4.17Å; W191-L193 HydrophobicContact CE3-CD2 3.93Å; W191-L227 HydrophobicContact CB-CB 4.2Å; W191-L227 PolarHBondContact N-O 3.4Å; W191-L227 VanDerWaalsContact N-O 3.11Å; W191-L227 PolarHBondContact O-N 3.35Å; W191-T231 PolarHBondContact NE1-O 3.11Å; W191-A233 HydrophobicContact CH2-CB 3.83Å; W191-A233 HydrophobicContact CZ2-CB 3.74Å; W191-I236 HydrophobicContact CD2-CD1 4.07Å; W191-I236 HydrophobicContact CD2-CG1 3.89Å; W191-I236 HydrophobicContact CE3-CG1 4.38Å; W191-I236 HydrophobicContact CG-CD1 3.91Å; W191-I236 HydrophobicContact CG-CG1 4.28Å; W191-I236 HydrophobicContact CH2-CG1 4.37Å; W191-I236 HydrophobicContact CZ2-CG1 3.9Å
192K96.3Very high91.2Very high74 Ų7418.6 Ų18.632%0.32211%0.105SC..EExtended strand (participates in β ladder)trans-114.6127.6159.9-171.3-168.4-168.8-151.70107.4Q20 V21 V22 E194 V226Q20-K192 PolarHBondContact O-N 2.89Å; V21-K192 CarbonylContact C-O 3.58Å; V21-K192 VanDerWaalsContact CA-O 3.28Å; V21-K192 WeakPolarHBondContact CA-O 3.27Å; V21-K192 HydrophobicContact CG1-CB 4.24Å; V21-K192 HydrophobicContact CG1-CD 4.16Å; V21-K192 HydrophobicContact CG1-CG 4.46Å; V21-K192 HydrophobicContact CG2-CB 4.24Å; V22-K192 PolarHBondContact N-O 3.1Å; K192-E194 WeakPolarHBondContact CE-OE1 3.17Å; K192-E194 IonicContact NZ-OE1 3.14Å; K192-E194 PolarHBondContact NZ-OE1 3.15Å; K192-V226 HydrophobicContact CG-CG2 4.31Å
193L95.9Very high91.4Very high0 Ų018.5 Ų18.50%010%0.104CC..EExtended strand (participates in β ladder)trans-128.3124-172-52.7173000109.1V22 W191 F195 S205 Y225 I236V22-L193 HydrophobicContact CB-CD2 3.84Å; V22-L193 HydrophobicContact CG2-CD2 4.01Å; V22-L193 WeakPolarHBondContact O-CA 3.19Å; W191-L193 HydrophobicContact CB-CD2 4.11Å; W191-L193 HydrophobicContact CB-CG 4.17Å; W191-L193 HydrophobicContact CE3-CD2 3.93Å; L193-F195 HydrophobicContact CB-CE2 3.54Å; L193-F195 HydrophobicContact CB-CZ 3.66Å; L193-F195 HydrophobicContact CD1-CE2 4.45Å; L193-F195 HydrophobicContact CD1-CZ 4.43Å; L193-F195 HydrophobicContact CG-CZ 4.44Å; L193-S205 WeakPolarHBondContact CD1-OG 3.2Å; L193-Y225 PolarHBondContact N-O 3.29Å; L193-Y225 PolarHBondContact O-N 3.31Å; L193-I236 HydrophobicContact CD1-CG2 3.81Å; L193-I236 HydrophobicContact CD2-CG2 4.25Å
194E95.9Very high91.7Very high21 Ų2118.5 Ų18.510%0.09810%0.104CC..EExtended strand (participates in β ladder)trans-125.6118.5-173.9-55.5-167.9145.700110.3V22 C23 I24 K192 F223 H224V22-E194 PolarHBondContact O-N 2.9Å; C23-E194 CarbonylContact C-O 3.58Å; C23-E194 WeakPolarHBondContact CA-O 3.14Å; C23-E194 HydrophobicContact CB-CB 4.21Å; C23-E194 PolarHBondContact SG-OE2 2.88Å; I24-E194 PolarHBondContact N-O 3.44Å; K192-E194 WeakPolarHBondContact CE-OE1 3.17Å; K192-E194 IonicContact NZ-OE1 3.14Å; K192-E194 PolarHBondContact NZ-OE1 3.15Å; E194-F223 WeakPolarHBondContact CA-O 3.36Å; E194-H224 IonicContact OE1-CE1 2.68Å; E194-H224 PolarHBondContact OE1-CE1 3.45Å; E194-H224 IonicContact OE1-ND1 2.76Å; E194-H224 PolarHBondContact OE1-ND1 3.1Å
195F95.4Very high92Very high0 Ų018.5 Ų18.50%010%0.104CC..EExtended strand (participates in β ladder)trans-124.8108.8-172.3-56.8-61.7000111.4I24 W178 L193 A203 S205 T222 F223 Y225 L238I24-F195 HydrophobicContact CB-CD1 4.07Å; I24-F195 HydrophobicContact CD1-CD1 3.84Å; I24-F195 HydrophobicContact CD1-CE1 3.74Å; I24-F195 HydrophobicContact CG1-CD1 3.99Å; I24-F195 HydrophobicContact CG1-CE1 4.08Å; W178-F195 HydrophobicContact CH2-CZ 4.35Å; W178-F195 HydrophobicContact CZ2-CE1 4Å; W178-F195 HydrophobicContact CZ2-CZ 4.26Å; L193-F195 HydrophobicContact CB-CE2 3.54Å; L193-F195 HydrophobicContact CB-CZ 3.66Å; L193-F195 HydrophobicContact CD1-CE2 4.45Å; L193-F195 HydrophobicContact CD1-CZ 4.43Å; L193-F195 HydrophobicContact CG-CZ 4.44Å; F195-A203 HydrophobicContact CB-CB 3.91Å; F195-S205 VanDerWaalsContact CE2-CB 3.4Å; F195-S205 WeakPolarHBondContact CE2-OG 3.48Å; F195-T222 WeakPolarHBondContact O-CA 3.2Å; F195-F223 PolarHBondContact N-O 2.97Å; F195-F223 PolarHBondContact O-N 3Å; F195-Y225 HydrophobicContact CD2-CD2 4.01Å; F195-Y225 HydrophobicContact CD2-CE2 4.46Å; F195-Y225 HydrophobicContact CE2-CD2 4.21Å; F195-L238 HydrophobicContact CD1-CD1 3.89Å; F195-L238 HydrophobicContact CD1-CD2 3.79Å; F195-L238 HydrophobicContact CD1-CG 4.46Å; F195-L238 HydrophobicContact CD2-CD1 3.78Å; F195-L238 HydrophobicContact CE1-CD1 4Å; F195-L238 HydrophobicContact CE1-CD2 3.75Å; F195-L238 HydrophobicContact CE1-CG 4.34Å; F195-L238 HydrophobicContact CE2-CD1 3.88Å; F195-L238 HydrophobicContact CG-CD1 3.78Å; F195-L238 HydrophobicContact CG-CD2 4.47Å; F195-L238 HydrophobicContact CZ-CB 4.49Å; F195-L238 HydrophobicContact CZ-CD1 3.97Å; F195-L238 HydrophobicContact CZ-CD2 4.38Å
196T94.3Very high92.4Very high16 Ų1617.3 Ų17.310%0.09810%0.099CC..EExtended strand (participates in β ladder)trans-94.3108.9178-570000110.7I24 T215 K220 K221 T222I24-T196 WeakPolarHBondContact O-CB 3.25Å; I24-T196 PolarHBondContact O-N 3.43Å; T196-T215 HydrophobicContact CG2-CG2 4.11Å; T196-K220 HydrophobicContact CG2-CB 4.25Å; T196-K220 HydrophobicContact CG2-CD 4.01Å; T196-K221 CarbonylContact C-O 3.49Å; T196-K221 WeakPolarHBondContact CA-O 3.48Å; T196-T222 WeakPolarHBondContact OG1-CG2 3.41Å; T196-T222 PolarHBondContact OG1-OG1 3.29Å
197V92.6Very high92.6Very high4 Ų416.7 Ų16.72%0.02410%0.096CC..EExtended strand (participates in β ladder)trans-127.4168.1-171.9-56.30000111.5I27 M201 A203 K220 K221 F223 V240I27-V197 HydrophobicContact CD1-CG1 4.14Å; V197-M201 HydrophobicContact CG2-CB 4.41Å; V197-A203 HydrophobicContact CG1-CB 4.06Å; V197-A203 HydrophobicContact CG2-CB 4.3Å; V197-K220 CarbonylContact O-C 3.55Å; V197-K220 WeakPolarHBondContact O-CA 3.16Å; V197-K220 WeakPolarHBondContact O-CB 3.35Å; V197-K220 WeakPolarHBondContact O-CG 3.38Å; V197-K221 PolarHBondContact N-O 2.92Å; V197-K221 PolarHBondContact O-N 3.35Å; V197-F223 HydrophobicContact CG2-CD2 3.91Å; V197-F223 HydrophobicContact CG2-CE2 3.58Å; V197-V240 HydrophobicContact CB-CG1 4.01Å; V197-V240 HydrophobicContact CG1-CG1 3.65Å; V197-V240 HydrophobicContact CG1-CG2 4.04Å
198D90.4Very high92.9Very high83 Ų8318.5 Ų18.544%0.44411%0.106SC..EExtended strand (participates in β ladder)trans-59.8144.1174.6-169.6-76.3000111.3S200 M201D198-S200 PolarHBondContact O-N 3.05Å; D198-S200 VanDerWaalsContact O-N 3.15Å; D198-S200 WeakPolarHBondContact OD1-CB 3.41Å; D198-S200 PolarHBondContact OD1-N 2.82Å; D198-S200 PolarHBondContact OD1-OG 2.96Å; D198-M201 HydrophobicContact CB-CG 4.07Å; D198-M201 PolarHBondContact O-N 2.86Å
199A88.8Confident93.1Very high27 Ų2721.9 Ų21.922%0.22312%0.123CC..THydrogen-bonded Turntrans-62.6-20.7-178.700000114.1M201 Y214 R219 K221A199-M201 VanDerWaalsContact C-N 3.33Å; A199-Y214 HydrophobicContact CB-CE1 4.37Å; A199-R219 WeakPolarHBondContact CB-O 3.49Å; A199-R219 PolarHBondContact N-O 2.9Å; A199-K221 HydrophobicContact CB-CG 4.41Å; A199-K221 VanDerWaalsContact O-CE 3.29Å; A199-K221 WeakPolarHBondContact O-CE 3.19Å; A199-K221 PolarHBondContact O-NZ 2.89Å
200S89Confident93.2Very high61 Ų6126.6 Ų26.643%0.42715%0.152SC..THydrogen-bonded Turntrans-77.3-13.8172.262.10000114.3D198D198-S200 PolarHBondContact O-N 3.05Å; D198-S200 VanDerWaalsContact O-N 3.15Å; D198-S200 WeakPolarHBondContact OD1-CB 3.41Å; D198-S200 PolarHBondContact OD1-N 2.82Å; D198-S200 PolarHBondContact OD1-OG 2.96Å
201M90.7Very high93.2Very high1 Ų131.1 Ų31.11%0.00517%0.172CC..  trans-104.7155.3-175.6-60.8-66.2-17700111.9F29 M159 A160 A164 V197 D198 A199 V240 P242F29-M201 HydrophobicContact CE2-CE 4.35Å; F29-M201 HydrophobicContact CE2-CG 4.5Å; M159-M201 HydrophobicContact CB-CE 4.03Å; A160-M201 HydrophobicContact CB-CE 4.29Å; A164-M201 WeakPolarHBondContact O-CE 3.3Å; V197-M201 HydrophobicContact CG2-CB 4.41Å; D198-M201 HydrophobicContact CB-CG 4.07Å; D198-M201 PolarHBondContact O-N 2.86Å; A199-M201 VanDerWaalsContact C-N 3.33Å; M201-V240 HydrophobicContact CB-CG1 4.05Å; M201-P242 HydrophobicContact SD-CB 4.06Å; M201-P242 VanDerWaalsContact SD-CD 3.6Å; M201-P242 HydrophobicContact SD-CG 4.32Å; M201-P242 VanDerWaalsContact SD-N 3.36Å
202V94.2Very high93.1Very high26 Ų2633.6 Ų33.616%0.15819%0.187CC..EExtended strand (participates in β ladder)trans-112.6127.6170.9-179.10000108.2V204 F223 V240 G241 F243 F257V202-V204 HydrophobicContact CG1-CG2 4.05Å; V202-F223 HydrophobicContact CG1-CE1 4.39Å; V202-F223 HydrophobicContact CG1-CZ 4.34Å; V202-V240 WeakPolarHBondContact O-CA 3.45Å; V202-G241 PolarHBondContact N-O 2.71Å; V202-G241 PolarHBondContact O-N 3.2Å; V202-F243 HydrophobicContact CB-CB 4.42Å; V202-F243 HydrophobicContact CB-CD2 4.42Å; V202-F257 HydrophobicContact CG1-CE1 4.3Å
203A94.6Very high93Very high0 Ų033.3 Ų33.30%019%0.189CC..EExtended strand (participates in β ladder)trans-92.2134.8167.400000109.4F195 V197 F223 Y225 L238 A239 V240F195-A203 HydrophobicContact CB-CB 3.91Å; V197-A203 HydrophobicContact CG1-CB 4.06Å; V197-A203 HydrophobicContact CG2-CB 4.3Å; A203-F223 HydrophobicContact CB-CB 4.36Å; A203-F223 HydrophobicContact CB-CD2 3.71Å; A203-F223 HydrophobicContact CB-CE2 4.18Å; A203-F223 HydrophobicContact CB-CG 4.07Å; A203-Y225 PolarHBondContact O-OH 2.92Å; A203-L238 HydrophobicContact CB-CD1 4.41Å; A203-A239 CarbonylContact C-O 3.57Å; A203-A239 WeakPolarHBondContact CA-O 3.16Å; A203-V240 HydrophobicContact CB-CG2 3.93Å
204V95.3Very high92.7Very high0 Ų038.6 Ų38.60%021%0.209CC..EExtended strand (participates in β ladder)trans-128.1129.7178.8-162.60000108.5V202 L238 A239 F243 F257 K294 V296 M311V202-V204 HydrophobicContact CG1-CG2 4.05Å; V204-L238 WeakPolarHBondContact O-CA 3.4Å; V204-A239 PolarHBondContact N-O 3.39Å; V204-A239 PolarHBondContact O-N 3.05Å; V204-F243 HydrophobicContact CG2-CD2 3.95Å; V204-F243 HydrophobicContact CG2-CE2 4.27Å; V204-F257 HydrophobicContact CG1-CD2 3.9Å; V204-F257 HydrophobicContact CG1-CE1 4.35Å; V204-F257 HydrophobicContact CG1-CE2 3.71Å; V204-F257 HydrophobicContact CG1-CG 4.33Å; V204-F257 HydrophobicContact CG1-CZ 3.95Å; V204-F257 HydrophobicContact CG2-CB 4.49Å; V204-F257 HydrophobicContact CG2-CD1 3.59Å; V204-F257 HydrophobicContact CG2-CD2 4.27Å; V204-F257 HydrophobicContact CG2-CE1 3.78Å; V204-F257 HydrophobicContact CG2-CE2 4.46Å; V204-F257 HydrophobicContact CG2-CG 3.86Å; V204-F257 HydrophobicContact CG2-CZ 4.23Å; V204-K294 HydrophobicContact CG1-CB 4.48Å; V204-K294 HydrophobicContact CG1-CD 4.01Å; V204-V296 HydrophobicContact CB-CG2 4.12Å; V204-V296 HydrophobicContact CG1-CG2 3.92Å; V204-V296 HydrophobicContact CG2-CG2 4.5Å; V204-M311 HydrophobicContact CB-SD 4.21Å; V204-M311 HydrophobicContact CG1-SD 3.66Å
205S94.4Very high92.2Very high0 Ų039.4 Ų39.40%022%0.216CC..EExtended strand (participates in β ladder)trans-152.5176.6-178.5-166.50000111.7L193 F195 S237 K294L193-S205 WeakPolarHBondContact CD1-OG 3.2Å; F195-S205 VanDerWaalsContact CE2-CB 3.4Å; F195-S205 WeakPolarHBondContact CE2-OG 3.48Å; S205-S237 WeakPolarHBondContact CA-O 3.36Å; S205-S237 WeakPolarHBondContact CB-O 3.34Å; S205-S237 PolarHBondContact OG-O 3.27Å; S205-K294 WeakPolarHBondContact O-CD 3.34Å; S205-K294 PolarHBondContact O-NZ 3.3Å
206C92.6Very high91.6Very high0 Ų048.3 Ų48.30%026%0.257CS..SBendtrans-66.9150.3-178.8-54.10000112.8L227 I236 S237 A309C206-L227 HydrophobicContact CB-CD2 4.08Å; C206-I236 HydrophobicContact CB-CD1 4.31Å; C206-S237 PolarHBondContact SG-N 2.97Å; C206-S237 VanDerWaalsContact SG-N 3.39Å; C206-A309 HydrophobicContact CB-CB 4.34Å; C206-A309 VanDerWaalsContact CB-O 3.24Å; C206-A309 WeakPolarHBondContact CB-O 3.48Å; C206-A309 PolarHBondContact SG-O 3.23Å
207G91Very high91Very high1 Ų153.1 Ų53.11%0.0128%0.282CS..SBendtrans81.9-176.5-178.700000114.1V226 K294 S310G207-V226 CarbonylContact C-O 3.35Å; G207-V226 WeakPolarHBondContact CA-O 3.43Å; G207-K294 PolarHBondContact O-NZ 3.01Å; G207-S310 PolarHBondContact N-OG 3.36Å
208D92.9Very high90.6Very high49 Ų4958.5 Ų58.526%0.26231%0.308SS..EExtended strand (participates in β ladder)trans-81.5142.7-175-61.3-53.6000112.1V210 Y225 V226 S291D208-V210 PolarHBondContact O-N 3.43Å; D208-Y225 CarbonylContact O-C 3.6Å; D208-Y225 VanDerWaalsContact O-CA 3.23Å; D208-Y225 WeakPolarHBondContact O-CA 3.44Å; D208-V226 PolarHBondContact N-O 3.44Å; D208-V226 PolarHBondContact O-N 3.5Å; D208-S291 VanDerWaalsContact OD1-CB 3.26Å; D208-S291 WeakPolarHBondContact OD1-CB 3.38Å; D208-S291 PolarHBondContact OD1-OG 2.9Å; D208-S291 PolarHBondContact OD2-OG 3.27Å
209L93.3Very high90.4Very high83 Ų8364.1 Ų64.144%0.43532%0.323SS..EExtended strand (participates in β ladder)trans-78.9108.5169.5-177.757.1000108.4E211 F223 Y225L209-E211 WeakPolarHBondContact CD1-O 3.47Å; L209-F223 HydrophobicContact CD1-CB 4.37Å; L209-F223 HydrophobicContact CD1-CD1 4.09Å; L209-Y225 HydrophobicContact CB-CD1 4.07Å; L209-Y225 HydrophobicContact CB-CE1 3.61Å; L209-Y225 HydrophobicContact CD1-CD1 4.25Å; L209-Y225 HydrophobicContact CD1-CE1 3.87Å; L209-Y225 HydrophobicContact CD1-CE2 4.26Å; L209-Y225 HydrophobicContact CG-CE1 4.24Å
210V92.9Very high90.4Very high99 Ų9965.6 Ų65.660%0.633%0.325SS*.EExtended strand (participates in β ladder)trans-85.9-44.3-179.9-178.60000110.7D208 H224 V226D208-V210 PolarHBondContact O-N 3.43Å; V210-H224 PolarHBondContact N-O 3.14Å; V210-V226 HydrophobicContact CG2-CB 3.91Å; V210-V226 HydrophobicContact CG2-CG2 3.67Å
211E92.3Very high90.6Very high108 Ų10864.5 Ų64.551%0.50531%0.312SS..EExtended strand (participates in β ladder)trans-152.6152.4-176.6-160.3174.3178.400111.6L209 I213 H224L209-E211 WeakPolarHBondContact CD1-O 3.47Å; E211-I213 HydrophobicContact CB-CG1 4.49Å; E211-I213 HydrophobicContact CG-CD1 4.31Å; E211-I213 HydrophobicContact CG-CG1 3.73Å; E211-H224 HydrophobicContact CB-CB 4.44Å; E211-H224 PolarHBondContact O-N 2.86Å
212T93Very high90.8Very high53 Ų5365.5 Ų65.533%0.32532%0.318SS..EExtended strand (participates in β ladder)trans-128.5104.8168.1-56.60000108.9K221 T222 F223T212-K221 HydrophobicContact CG2-CB 4.3Å; T212-T222 WeakPolarHBondContact CA-O 3.47Å; T212-F223 HydrophobicContact CG2-CD1 3.85Å; T212-F223 HydrophobicContact CG2-CD2 4.47Å; T212-F223 HydrophobicContact CG2-CE1 3.72Å; T212-F223 HydrophobicContact CG2-CE2 4.36Å; T212-F223 HydrophobicContact CG2-CG 4.24Å; T212-F223 HydrophobicContact CG2-CZ 4Å; T212-F223 WeakPolarHBondContact OG1-CD1 3.48Å
213I93.2Very high90.9Very high68 Ų6864.9 Ų64.935%0.34931%0.314SS..EExtended strand (participates in β ladder)trans-98.4138.2-175-51.8-178.4000109.1E211 K221 T222E211-I213 HydrophobicContact CB-CG1 4.49Å; E211-I213 HydrophobicContact CG-CD1 4.31Å; E211-I213 HydrophobicContact CG-CG1 3.73Å; I213-K221 CarbonylContact O-C 3.56Å; I213-K221 WeakPolarHBondContact O-CA 3.44Å; I213-T222 PolarHBondContact N-O 3Å; I213-T222 PolarHBondContact O-N 3.25Å
214Y90.9Very high90.9Very high111 Ų11166.3 Ų66.344%0.43532%0.32SS..EExtended strand (participates in β ladder)trans-82.3135.1166.9-77.9-100.6000109.9A199 M218 K221A199-Y214 HydrophobicContact CB-CE1 4.37Å; Y214-M218 HydrophobicContact CD1-CE 3.63Å; Y214-M218 HydrophobicContact CD1-SD 4.22Å; Y214-M218 HydrophobicContact CD2-CE 4.36Å; Y214-M218 HydrophobicContact CE1-CE 4.13Å; Y214-M218 HydrophobicContact CG-CE 3.75Å; Y214-M218 HydrophobicContact CG-SD 4.1Å; Y214-K221 HydrophobicContact CD1-CG 4.1Å; Y214-K221 HydrophobicContact CE1-CD 4.45Å; Y214-K221 HydrophobicContact CE1-CG 3.91Å; Y214-K221 VanDerWaalsContact CZ-CE 3.45Å; Y214-K221 WeakPolarHBondContact OH-CE 3.33Å
215T84.6Confident91Very high37 Ų3766.6 Ų66.623%0.22732%0.321CS..PPolyproline II helixtrans-59.3151.916958.10000110.4T196 D217 M218 K220T196-T215 HydrophobicContact CG2-CG2 4.11Å; T215-D217 PolarHBondContact O-N 2.69Å; T215-M218 WeakPolarHBondContact O-CA 3.3Å; T215-M218 PolarHBondContact O-N 2.85Å; T215-K220 HydrophobicContact CG2-CB 3.58Å; T215-K220 PolarHBondContact N-O 2.8Å; T215-K220 WeakPolarHBondContact OG1-CB 3.47Å; T215-K220 PolarHBondContact OG1-N 3.02Å; T215-K220 PolarHBondContact OG1-O 3.41Å; T215-K220 VanDerWaalsContact OG1-O 3.13Å
216H82.5Confident91Very high187 Ų18769 Ų6987%0.86634%0.336SS*.THydrogen-bonded Turntrans-46.9-34.8-179.5-175.4-84000114.7M218H216-M218 VanDerWaalsContact C-N 3.27Å; H216-M218 PolarHBondContact O-N 3.34Å
217D81.6Confident91Very high118 Ų11869.1 Ų69.163%0.63134%0.337SS*.THydrogen-bonded Turntrans-822.7179.9-58-17000114.1T215 R219T215-D217 PolarHBondContact O-N 2.69Å; D217-R219 PolarHBondContact O-N 3.17Å
218M83.4Confident91Very high117 Ų11772.6 Ų72.658%0.57636%0.359SS*.SBendtrans56.8-5.3-174-63.1-62.1-66.100117.1Y214 T215 H216 K220Y214-M218 HydrophobicContact CD1-CE 3.63Å; Y214-M218 HydrophobicContact CD1-SD 4.22Å; Y214-M218 HydrophobicContact CD2-CE 4.36Å; Y214-M218 HydrophobicContact CE1-CE 4.13Å; Y214-M218 HydrophobicContact CG-CE 3.75Å; Y214-M218 HydrophobicContact CG-SD 4.1Å; T215-M218 WeakPolarHBondContact O-CA 3.3Å; T215-M218 PolarHBondContact O-N 2.85Å; H216-M218 VanDerWaalsContact C-N 3.27Å; H216-M218 PolarHBondContact O-N 3.34Å; M218-K220 VanDerWaalsContact C-N 3.35Å; M218-K220 PolarHBondContact O-N 2.96Å
219R86.5Confident90.9Very high200 Ų20071.3 Ų71.376%0.75535%0.352SS*.SBendtrans-74-19-178.2-67.5174.4-172.5-1560114.8A199 D217A199-R219 WeakPolarHBondContact CB-O 3.49Å; A199-R219 PolarHBondContact N-O 2.9Å; D217-R219 PolarHBondContact O-N 3.17Å
220K90.4Very high90.8Very high58 Ų5867.4 Ų67.425%0.25233%0.332SS..EExtended strand (participates in β ladder)trans-133.6154.6-174.4-75175.5155.8-162.30111.6N26 T196 V197 T215 M218N26-K220 PolarHBondContact OD1-NZ 3.01Å; T196-K220 HydrophobicContact CG2-CB 4.25Å; T196-K220 HydrophobicContact CG2-CD 4.01Å; V197-K220 CarbonylContact O-C 3.55Å; V197-K220 WeakPolarHBondContact O-CA 3.16Å; V197-K220 WeakPolarHBondContact O-CB 3.35Å; V197-K220 WeakPolarHBondContact O-CG 3.38Å; T215-K220 HydrophobicContact CG2-CB 3.58Å; T215-K220 PolarHBondContact N-O 2.8Å; T215-K220 WeakPolarHBondContact OG1-CB 3.47Å; T215-K220 PolarHBondContact OG1-N 3.02Å; T215-K220 PolarHBondContact OG1-O 3.41Å; T215-K220 VanDerWaalsContact OG1-O 3.13Å; M218-K220 VanDerWaalsContact C-N 3.35Å; M218-K220 PolarHBondContact O-N 2.96Å
221K93.2Very high90.7Very high39 Ų3962.7 Ų62.717%0.1730%0.303CS..EExtended strand (participates in β ladder)trans-115.4138.5172.8-70.4166.9177.8164.30109.4T196 V197 A199 T212 I213 Y214 F223T196-K221 CarbonylContact C-O 3.49Å; T196-K221 WeakPolarHBondContact CA-O 3.48Å; V197-K221 PolarHBondContact N-O 2.92Å; V197-K221 PolarHBondContact O-N 3.35Å; A199-K221 HydrophobicContact CB-CG 4.41Å; A199-K221 VanDerWaalsContact O-CE 3.29Å; A199-K221 WeakPolarHBondContact O-CE 3.19Å; A199-K221 PolarHBondContact O-NZ 2.89Å; T212-K221 HydrophobicContact CG2-CB 4.3Å; I213-K221 CarbonylContact O-C 3.56Å; I213-K221 WeakPolarHBondContact O-CA 3.44Å; Y214-K221 HydrophobicContact CD1-CG 4.1Å; Y214-K221 HydrophobicContact CE1-CD 4.45Å; Y214-K221 HydrophobicContact CE1-CG 3.91Å; Y214-K221 VanDerWaalsContact CZ-CE 3.45Å; Y214-K221 WeakPolarHBondContact OH-CE 3.33Å; K221-F223 HydrophobicContact CB-CD2 4.3Å; K221-F223 HydrophobicContact CB-CE2 3.78Å; K221-F223 HydrophobicContact CB-CZ 4.43Å; K221-F223 HydrophobicContact CD-CE2 4.25Å; K221-F223 HydrophobicContact CD-CZ 4.19Å
222T94.1Very high90.6Very high21 Ų2157.6 Ų57.613%0.12928%0.279CS..EExtended strand (participates in β ladder)trans-110.2115.1169.8-55.90000108.5F195 T196 T212 I213 H224F195-T222 WeakPolarHBondContact O-CA 3.2Å; T196-T222 WeakPolarHBondContact OG1-CG2 3.41Å; T196-T222 PolarHBondContact OG1-OG1 3.29Å; T212-T222 WeakPolarHBondContact CA-O 3.47Å; I213-T222 PolarHBondContact N-O 3Å; I213-T222 PolarHBondContact O-N 3.25Å; T222-H224 WeakPolarHBondContact CG2-NE2 3.38Å
223F95.3Very high90.5Very high14 Ų1455.1 Ų55.16%0.06126%0.264CS..EExtended strand (participates in β ladder)trans-92.1125.3176.5-67.1-99.5000109.1E194 F195 V197 V202 A203 L209 T212 K221 Y225E194-F223 WeakPolarHBondContact CA-O 3.36Å; F195-F223 PolarHBondContact N-O 2.97Å; F195-F223 PolarHBondContact O-N 3Å; V197-F223 HydrophobicContact CG2-CD2 3.91Å; V197-F223 HydrophobicContact CG2-CE2 3.58Å; V202-F223 HydrophobicContact CG1-CE1 4.39Å; V202-F223 HydrophobicContact CG1-CZ 4.34Å; A203-F223 HydrophobicContact CB-CB 4.36Å; A203-F223 HydrophobicContact CB-CD2 3.71Å; A203-F223 HydrophobicContact CB-CE2 4.18Å; A203-F223 HydrophobicContact CB-CG 4.07Å; L209-F223 HydrophobicContact CD1-CB 4.37Å; L209-F223 HydrophobicContact CD1-CD1 4.09Å; T212-F223 HydrophobicContact CG2-CD1 3.85Å; T212-F223 HydrophobicContact CG2-CD2 4.47Å; T212-F223 HydrophobicContact CG2-CE1 3.72Å; T212-F223 HydrophobicContact CG2-CE2 4.36Å; T212-F223 HydrophobicContact CG2-CG 4.24Å; T212-F223 HydrophobicContact CG2-CZ 4Å; T212-F223 WeakPolarHBondContact OG1-CD1 3.48Å; K221-F223 HydrophobicContact CB-CD2 4.3Å; K221-F223 HydrophobicContact CB-CE2 3.78Å; K221-F223 HydrophobicContact CB-CZ 4.43Å; K221-F223 HydrophobicContact CD-CE2 4.25Å; K221-F223 HydrophobicContact CD-CZ 4.19Å; F223-Y225 HydrophobicContact CB-CD2 4.26Å; F223-Y225 HydrophobicContact CB-CE2 3.84Å
224H96Very high90.4Very high30 Ų3052.1 Ų52.114%0.13925%0.249CC..EExtended strand (participates in β ladder)trans-105.7104.7177.7-61.7-90.6000109.8E194 V210 E211 T222E194-H224 IonicContact OE1-CE1 2.68Å; E194-H224 PolarHBondContact OE1-CE1 3.45Å; E194-H224 IonicContact OE1-ND1 2.76Å; E194-H224 PolarHBondContact OE1-ND1 3.1Å; V210-H224 PolarHBondContact N-O 3.14Å; E211-H224 HydrophobicContact CB-CB 4.44Å; E211-H224 PolarHBondContact O-N 2.86Å; T222-H224 WeakPolarHBondContact CG2-NE2 3.38Å
225Y96.1Very high90.4Very high6 Ų647 Ų472%0.02423%0.229CC..EExtended strand (participates in β ladder)trans-99.7142.9174.4-71.6-78.5000111.3L193 F195 A203 D208 L209 F223L193-Y225 PolarHBondContact N-O 3.29Å; L193-Y225 PolarHBondContact O-N 3.31Å; F195-Y225 HydrophobicContact CD2-CD2 4.01Å; F195-Y225 HydrophobicContact CD2-CE2 4.46Å; F195-Y225 HydrophobicContact CE2-CD2 4.21Å; A203-Y225 PolarHBondContact O-OH 2.92Å; D208-Y225 CarbonylContact O-C 3.6Å; D208-Y225 VanDerWaalsContact O-CA 3.23Å; D208-Y225 WeakPolarHBondContact O-CA 3.44Å; L209-Y225 HydrophobicContact CB-CD1 4.07Å; L209-Y225 HydrophobicContact CB-CE1 3.61Å; L209-Y225 HydrophobicContact CD1-CD1 4.25Å; L209-Y225 HydrophobicContact CD1-CE1 3.87Å; L209-Y225 HydrophobicContact CD1-CE2 4.26Å; L209-Y225 HydrophobicContact CG-CE1 4.24Å; F223-Y225 HydrophobicContact CB-CD2 4.26Å; F223-Y225 HydrophobicContact CB-CE2 3.84Å
226V95.1Very high90.8Very high50 Ų5045.4 Ų45.430%0.30322%0.219SC..EExtended strand (participates in β ladder)trans-130.7124.8174.31780000109.7K192 G207 D208 V210 P228K192-V226 HydrophobicContact CG-CG2 4.31Å; G207-V226 CarbonylContact C-O 3.35Å; G207-V226 WeakPolarHBondContact CA-O 3.43Å; D208-V226 PolarHBondContact N-O 3.44Å; D208-V226 PolarHBondContact O-N 3.5Å; V210-V226 HydrophobicContact CG2-CB 3.91Å; V210-V226 HydrophobicContact CG2-CG2 3.67Å; V226-P228 WeakPolarHBondContact O-CD 3.39Å
227L93.6Very high91.3Very high3 Ų336.5 Ų36.52%0.01618%0.178CC..EExtended strand (participates in β ladder)trans-10897.6172.9-178.157.5000108.9W191 C206 I229 T231 I236 Y290 A309W191-L227 HydrophobicContact CB-CB 4.2Å; W191-L227 PolarHBondContact N-O 3.4Å; W191-L227 VanDerWaalsContact N-O 3.11Å; W191-L227 PolarHBondContact O-N 3.35Å; C206-L227 HydrophobicContact CB-CD2 4.08Å; L227-I229 VanDerWaalsContact C-N 3.32Å; L227-I229 HydrophobicContact CD1-CB 4.25Å; L227-T231 HydrophobicContact CD2-CG2 4.16Å; L227-T231 WeakPolarHBondContact CD2-OG1 3.46Å; L227-I236 HydrophobicContact CD2-CD1 3.72Å; L227-Y290 HydrophobicContact CD1-CD1 4.16Å; L227-Y290 HydrophobicContact CD1-CE1 4.2Å; L227-A309 HydrophobicContact CD2-CB 3.92Å
228P90.4Very high91.9Very high74 Ų7431.1 Ų31.148%0.48115%0.149SC..EExtended strand (participates in β ladder)trans-76.7-20.1-177.731.2-35.7000112.9T190 V226T190-P228 WeakPolarHBondContact CG2-O 3.45Å; V226-P228 WeakPolarHBondContact O-CD 3.39Å
229I90.9Very high92.5Very high22 Ų2225.5 Ų25.511%0.11312%0.121CC..EExtended strand (participates in β ladder)trans-76.7126.9176.9-66.2156.1000108.6L227 T231 P289 Y290 F347L227-I229 VanDerWaalsContact C-N 3.32Å; L227-I229 HydrophobicContact CD1-CB 4.25Å; I229-T231 HydrophobicContact CG2-CG2 4.26Å; I229-T231 PolarHBondContact O-N 3.07Å; I229-P289 WeakPolarHBondContact CD1-O 3.35Å; I229-Y290 HydrophobicContact CB-CE1 4.31Å; I229-Y290 HydrophobicContact CD1-CD1 3.46Å; I229-Y290 VanDerWaalsContact CD1-CD1 3.46Å; I229-Y290 HydrophobicContact CD1-CE1 4.04Å; I229-Y290 HydrophobicContact CD1-CG 4.09Å; I229-Y290 HydrophobicContact CG2-CE1 4.01Å; I229-F347 HydrophobicContact CG2-CD2 4.22Å; I229-F347 HydrophobicContact CG2-CE2 4.29Å
230P90.4Very high92.9Very high1 Ų116 Ų161%0.0069%0.086CC..EExtended strand (participates in β ladder)trans-70.9120.1-176.829.6-35.1000110.6L188 C189 T190 W482 M485L188-P230 HydrophobicContact CB-CB 4.21Å; C189-P230 CarbonylContact O-C 3.52Å; C189-P230 WeakPolarHBondContact O-CA 3.42Å; T190-P230 HydrophobicContact CG2-CB 4.45Å; P230-W482 HydrophobicContact CB-CD2 3.78Å; P230-W482 HydrophobicContact CB-CE3 3.91Å; P230-W482 HydrophobicContact CB-CG 4.2Å; P230-W482 HydrophobicContact CB-CH2 4.4Å; P230-W482 HydrophobicContact CB-CZ2 4.29Å; P230-W482 HydrophobicContact CB-CZ3 4.22Å; P230-W482 HydrophobicContact CG-CD2 3.98Å; P230-W482 HydrophobicContact CG-CG 3.97Å; P230-M485 HydrophobicContact CG-CE 4.24Å; P230-M485 HydrophobicContact CG-SD 3.77Å
231T90.4Very high93.1Very high0 Ų013.2 Ų13.20%07%0.074CC..EExtended strand (participates in β ladder)trans-136.2155.9-175.151.80000111.6C189 W191 L227 I229 Y290 A309C189-T231 PolarHBondContact N-O 2.83Å; C189-T231 PolarHBondContact O-N 3.09Å; C189-T231 VanDerWaalsContact O-O 3.08Å; W191-T231 PolarHBondContact NE1-O 3.11Å; L227-T231 HydrophobicContact CD2-CG2 4.16Å; L227-T231 WeakPolarHBondContact CD2-OG1 3.46Å; I229-T231 HydrophobicContact CG2-CG2 4.26Å; I229-T231 PolarHBondContact O-N 3.07Å; T231-Y290 HydrophobicContact CG2-CE1 4.28Å; T231-A309 HydrophobicContact CG2-CB 3.99Å
232A91Very high93Very high0 Ų012.1 Ų12.10%07%0.07CC..EExtended strand (participates in β ladder)trans-77.3150.9178.700000112.6L188 N235L188-A232 HydrophobicContact CD2-CB 4.18Å; A232-N235 WeakPolarHBondContact O-CB 3.21Å; A232-N235 PolarHBondContact O-N 3.5Å
233A90.9Very high93Very high1 Ų111.6 Ų11.61%0.0087%0.066CC..G310 helixtrans-58.2-35.1-179.300000115.3T175 C181 W191 N235 I236T175-A233 HydrophobicContact CG2-CB 4.33Å; T175-A233 PolarHBondContact OG1-O 3.23Å; C181-A233 HydrophobicContact CB-CB 4.34Å; W191-A233 HydrophobicContact CH2-CB 3.83Å; W191-A233 HydrophobicContact CZ2-CB 3.74Å; A233-N235 PolarHBondContact O-N 3.09Å; A233-I236 PolarHBondContact O-N 3.1Å
234P90.3Very high92.8Very high5 Ų514.1 Ų14.13%0.0328%0.078CC..G310 helixtrans-58.8-19.9170.8-30.939.6000115.7T175 Y185T175-P234 WeakPolarHBondContact OG1-CA 3.32Å; Y185-P234 HydrophobicContact CD1-CB 4.43Å; Y185-P234 HydrophobicContact CD2-CB 4.08Å; Y185-P234 HydrophobicContact CD2-CG 3.83Å; Y185-P234 HydrophobicContact CE1-CB 3.86Å; Y185-P234 HydrophobicContact CE2-CB 3.44Å; Y185-P234 VanDerWaalsContact CE2-CB 3.44Å; Y185-P234 HydrophobicContact CE2-CG 3.64Å; Y185-P234 HydrophobicContact CG-CG 4.35Å; Y185-P234 WeakPolarHBondContact OH-CB 3.48Å
235N91.6Very high92.7Very high5 Ų517.3 Ų17.33%0.02710%0.095CC..G310 helixtrans-94.66.6-177.2-64.5-26.7000113.3Y185 A232 A233 Y308 A309 G345 C346Y185-N235 WeakPolarHBondContact CE1-OD1 3.43Å; A232-N235 WeakPolarHBondContact O-CB 3.21Å; A232-N235 PolarHBondContact O-N 3.5Å; A233-N235 PolarHBondContact O-N 3.09Å; N235-Y308 WeakPolarHBondContact O-CB 3.38Å; N235-A309 HydrophobicContact CB-CB 4.36Å; N235-A309 WeakPolarHBondContact O-CB 3.32Å; N235-A309 PolarHBondContact O-N 3.44Å; N235-G345 PolarHBondContact ND2-O 3.34Å; N235-C346 WeakPolarHBondContact ND2-CA 3.47Å
236I92.8Very high92.5Very high3 Ų318.3 Ų18.32%0.01510%0.101CC..  trans-99.4134175.6-50.5-59000109.9W178 W191 L193 C206 L227 A233W178-I236 HydrophobicContact CH2-CG2 4.14Å; W178-I236 HydrophobicContact CZ3-CB 4.44Å; W178-I236 HydrophobicContact CZ3-CG2 3.96Å; W191-I236 HydrophobicContact CD2-CD1 4.07Å; W191-I236 HydrophobicContact CD2-CG1 3.89Å; W191-I236 HydrophobicContact CE3-CG1 4.38Å; W191-I236 HydrophobicContact CG-CD1 3.91Å; W191-I236 HydrophobicContact CG-CG1 4.28Å; W191-I236 HydrophobicContact CH2-CG1 4.37Å; W191-I236 HydrophobicContact CZ2-CG1 3.9Å; L193-I236 HydrophobicContact CD1-CG2 3.81Å; L193-I236 HydrophobicContact CD2-CG2 4.25Å; C206-I236 HydrophobicContact CB-CD1 4.31Å; L227-I236 HydrophobicContact CD2-CD1 3.72Å; A233-I236 PolarHBondContact O-N 3.1Å
237S92.8Very high92.3Very high0 Ų019.6 Ų19.60%011%0.108CC..  trans-142160.6179.250.40000112.7S168 S205 C206 Y308 M311S168-S237 VanDerWaalsContact OG-CA 3.22Å; S168-S237 WeakPolarHBondContact OG-CA 3.43Å; S168-S237 WeakPolarHBondContact OG-CB 3.46Å; S205-S237 WeakPolarHBondContact CA-O 3.36Å; S205-S237 WeakPolarHBondContact CB-O 3.34Å; S205-S237 PolarHBondContact OG-O 3.27Å; C206-S237 PolarHBondContact SG-N 2.97Å; C206-S237 VanDerWaalsContact SG-N 3.39Å; S237-Y308 VanDerWaalsContact OG-CB 3.23Å; S237-Y308 WeakPolarHBondContact OG-CB 3.4Å; S237-Y308 WeakPolarHBondContact OG-CD2 3.24Å; S237-M311 WeakPolarHBondContact OG-CE 3.44Å
238L94.9Very high92.1Very high4 Ų419.8 Ų19.82%0.02111%0.109CC..EExtended strand (participates in β ladder)trans-136.8133.8-179.7171.965.1000109.1I24 I27 F167 S168 W178 F195 A203 V204 V240I24-L238 HydrophobicContact CD1-CD2 3.87Å; I27-L238 HydrophobicContact CD1-CD2 4.33Å; F167-L238 CarbonylContact C-O 3.58Å; F167-L238 WeakPolarHBondContact CA-O 3.47Å; S168-L238 PolarHBondContact N-O 3.25Å; S168-L238 PolarHBondContact OG-N 3.4Å; S168-L238 PolarHBondContact OG-O 2.85Å; W178-L238 HydrophobicContact CH2-CB 3.79Å; W178-L238 HydrophobicContact CZ2-CB 3.71Å; W178-L238 HydrophobicContact CZ2-CD2 3.91Å; W178-L238 HydrophobicContact CZ2-CG 4.46Å; F195-L238 HydrophobicContact CD1-CD1 3.89Å; F195-L238 HydrophobicContact CD1-CD2 3.79Å; F195-L238 HydrophobicContact CD1-CG 4.46Å; F195-L238 HydrophobicContact CD2-CD1 3.78Å; F195-L238 HydrophobicContact CE1-CD1 4Å; F195-L238 HydrophobicContact CE1-CD2 3.75Å; F195-L238 HydrophobicContact CE1-CG 4.34Å; F195-L238 HydrophobicContact CE2-CD1 3.88Å; F195-L238 HydrophobicContact CG-CD1 3.78Å; F195-L238 HydrophobicContact CG-CD2 4.47Å; F195-L238 HydrophobicContact CZ-CB 4.49Å; F195-L238 HydrophobicContact CZ-CD1 3.97Å; F195-L238 HydrophobicContact CZ-CD2 4.38Å; A203-L238 HydrophobicContact CB-CD1 4.41Å; V204-L238 WeakPolarHBondContact O-CA 3.4Å; L238-V240 HydrophobicContact CD1-CG2 3.73Å; L238-V240 HydrophobicContact CD2-CG2 4.26Å; L238-V240 HydrophobicContact CG-CG2 3.98Å
239A95.5Very high92Very high0 Ų020.8 Ų20.80%012%0.116CC..EExtended strand (participates in β ladder)trans-127.7136.4164.700000109.4V166 F167 A203 V204 F243 V296V166-A239 CarbonylContact O-C 3.5Å; V166-A239 WeakPolarHBondContact O-CA 3.31Å; F167-A239 HydrophobicContact CB-CB 4.15Å; A203-A239 CarbonylContact C-O 3.57Å; A203-A239 WeakPolarHBondContact CA-O 3.16Å; V204-A239 PolarHBondContact N-O 3.39Å; V204-A239 PolarHBondContact O-N 3.05Å; A239-F243 HydrophobicContact CB-CE2 4.06Å; A239-F243 HydrophobicContact CB-CZ 4.1Å; A239-V296 HydrophobicContact CB-CB 4.45Å; A239-V296 HydrophobicContact CB-CG1 3.85Å; A239-V296 HydrophobicContact CB-CG2 4.38Å
240V95.3Very high91.9Very high0 Ų027.7 Ų27.70%014%0.142CC..EExtended strand (participates in β ladder)trans-134.5124178-176.30000109.2I27 F29 H165 V166 V197 M201 V202 A203 L238I27-V240 HydrophobicContact CD1-CG2 3.91Å; F29-V240 HydrophobicContact CZ-CG1 4.4Å; H165-V240 CarbonylContact C-O 3.59Å; H165-V240 VanDerWaalsContact CA-O 3.26Å; H165-V240 WeakPolarHBondContact CA-O 3.42Å; H165-V240 WeakPolarHBondContact CB-O 3.41Å; V166-V240 HydrophobicContact CG1-CB 3.78Å; V166-V240 HydrophobicContact CG1-CG2 4.35Å; V166-V240 PolarHBondContact N-O 3.32Å; V166-V240 PolarHBondContact O-N 2.95Å; V197-V240 HydrophobicContact CB-CG1 4.01Å; V197-V240 HydrophobicContact CG1-CG1 3.65Å; V197-V240 HydrophobicContact CG1-CG2 4.04Å; M201-V240 HydrophobicContact CB-CG1 4.05Å; V202-V240 WeakPolarHBondContact O-CA 3.45Å; A203-V240 HydrophobicContact CB-CG2 3.93Å; L238-V240 HydrophobicContact CD1-CG2 3.73Å; L238-V240 HydrophobicContact CD2-CG2 4.26Å; L238-V240 HydrophobicContact CG-CG2 3.98Å
241G94Very high91.7Very high0 Ų030.4 Ų30.40%016%0.155CC..EExtended strand (participates in β ladder)trans-172.5180-178.800000112V202 F243V202-G241 PolarHBondContact N-O 2.71Å; V202-G241 PolarHBondContact O-N 3.2Å; G241-F243 VanDerWaalsContact N-CE2 3.3Å; G241-F243 PolarHBondContact O-N 3Å
242P92.1Very high91.4Very high15 Ų1537 Ų3710%0.09719%0.186CC..  trans-80.659.3179.133.2-33.5000109.9A160 A164 M201 E244 P260A160-P242 HydrophobicContact CB-CB 4.11Å; A164-P242 WeakPolarHBondContact O-CD 3.47Å; M201-P242 HydrophobicContact SD-CB 4.06Å; M201-P242 VanDerWaalsContact SD-CD 3.6Å; M201-P242 HydrophobicContact SD-CG 4.32Å; M201-P242 VanDerWaalsContact SD-N 3.36Å; P242-E244 PolarHBondContact O-N 3.07Å; P242-P260 HydrophobicContact CB-CG 4.24Å; P242-P260 HydrophobicContact CG-CG 4.22Å; P242-P260 VanDerWaalsContact O-CD 3.28Å; P242-P260 WeakPolarHBondContact O-CD 3.17Å; P242-P260 VanDerWaalsContact O-CG 3.27Å; P242-P260 WeakPolarHBondContact O-CG 3.37Å
243F94.3Very high91.2Very high11 Ų1143.5 Ų43.55%0.04822%0.216CC..  trans-76.1126.4-169.8-62.4-59.5000112.9V202 V204 A239 G241 F257 C258 L259 V296 V298V202-F243 HydrophobicContact CB-CB 4.42Å; V202-F243 HydrophobicContact CB-CD2 4.42Å; V204-F243 HydrophobicContact CG2-CD2 3.95Å; V204-F243 HydrophobicContact CG2-CE2 4.27Å; A239-F243 HydrophobicContact CB-CE2 4.06Å; A239-F243 HydrophobicContact CB-CZ 4.1Å; G241-F243 VanDerWaalsContact N-CE2 3.3Å; G241-F243 PolarHBondContact O-N 3Å; F243-F257 HydrophobicContact CB-CB 4.05Å; F243-F257 HydrophobicContact CB-CD1 4.16Å; F243-F257 HydrophobicContact CD1-CB 4.41Å; F243-F257 HydrophobicContact CG-CB 4.14Å; F243-C258 CarbonylContact C-O 3.59Å; F243-C258 VanDerWaalsContact CA-O 3.28Å; F243-C258 WeakPolarHBondContact CA-O 3.47Å; F243-L259 HydrophobicContact CD1-CD2 4.28Å; F243-L259 HydrophobicContact CE1-CD2 3.97Å; F243-V296 HydrophobicContact CD1-CG1 4.36Å; F243-V296 HydrophobicContact CE1-CG1 3.71Å; F243-V296 HydrophobicContact CE2-CG1 4.06Å; F243-V296 HydrophobicContact CZ-CG1 3.54Å; F243-V298 HydrophobicContact CZ-CG1 4.45Å
244E91.7Very high91.2Very high67 Ų6743.7 Ų43.731%0.31322%0.217SC..EExtended strand (participates in β ladder)trans-73.6136.4162-70.9-175.1-142.400109.4P242 F257 C258 P260 Q261 L263P242-E244 PolarHBondContact O-N 3.07Å; E244-F257 WeakPolarHBondContact O-CA 3.33Å; E244-C258 PolarHBondContact N-O 3.42Å; E244-C258 PolarHBondContact O-N 3.32Å; E244-P260 WeakPolarHBondContact OE1-CA 3.33Å; E244-Q261 PolarHBondContact OE1-N 2.92Å; E244-L263 VanDerWaalsContact OE2-CB 3.3Å; E244-L263 WeakPolarHBondContact OE2-CB 3.33Å; E244-L263 WeakPolarHBondContact OE2-CD2 3.33Å
245I92.4Very high91.4Very high97 Ų9744.8 Ų44.850%0.49722%0.224SC..EExtended strand (participates in β ladder)trans-104.5128.6-175.9-49.9-179.7000110.1H256 F257I245-H256 WeakPolarHBondContact CA-O 3.47Å; I245-F257 HydrophobicContact CD1-CD1 4.5Å; I245-F257 HydrophobicContact CD1-CE1 3.9Å; I245-F257 HydrophobicContact CG1-CD1 3.92Å; I245-F257 HydrophobicContact CG1-CE1 3.77Å; I245-F257 HydrophobicContact CG2-CE1 4.13Å; I245-F257 HydrophobicContact CG2-CZ 4.44Å
246L92.8Very high91.5Very high27 Ų2744.6 Ų44.614%0.14122%0.223CC..EExtended strand (participates in β ladder)trans-121.9116171.2176.870.3000109.3H256 L263 L266 K267L246-H256 HydrophobicContact CB-CB 4.22Å; L246-H256 PolarHBondContact N-O 3.31Å; L246-H256 PolarHBondContact O-CD2 2.75Å; L246-H256 PolarHBondContact O-N 3.48Å; L246-L263 HydrophobicContact CB-CD1 3.88Å; L246-L263 HydrophobicContact CD1-CD1 4.39Å; L246-L266 HydrophobicContact CB-CD2 3.98Å; L246-L266 HydrophobicContact CD2-CD2 3.91Å; L246-L266 HydrophobicContact CD2-CG 3.92Å; L246-K267 HydrophobicContact CD1-CD 4.45Å; L246-K267 HydrophobicContact CD1-CG 3.97Å; L246-K267 HydrophobicContact CD2-CB 4.44Å; L246-K267 HydrophobicContact CD2-CG 3.6Å; L246-K267 HydrophobicContact CG-CG 4.46Å
247V91.2Very high91.7Very high76 Ų7645 Ų4546%0.46123%0.225SC..EExtended strand (participates in β ladder)trans-81.5139.2166.5-173.40000108.3H252 T255V247-H252 HydrophobicContact CG1-CB 4.28Å; V247-T255 HydrophobicContact CG2-CG2 4.35Å
248D88.9Confident91.7Very high7 Ų745 Ų454%0.03723%0.225CC..  trans-70.2136.7177.1-175.9-84.2000111.4Y250 M251 H252 V254D248-Y250 VanDerWaalsContact C-N 3.32Å; D248-Y250 PolarHBondContact O-N 3.08Å; D248-Y250 WeakPolarHBondContact OD1-CA 3.26Å; D248-Y250 WeakPolarHBondContact OD1-CB 3.46Å; D248-Y250 PolarHBondContact OD1-N 3.12Å; D248-M251 PolarHBondContact OD1-N 3.34Å; D248-H252 PolarHBondContact O-ND1 3.16Å; D248-H252 VanDerWaalsContact O-ND1 3.11Å; D248-V254 HydrophobicContact CB-CB 3.89Å; D248-V254 HydrophobicContact CB-CG1 4.01Å; D248-V254 PolarHBondContact N-O 2.77Å; D248-V254 VanDerWaalsContact N-O 3.11Å
249P88.9Confident91.6Very high96 Ų9645.8 Ų45.862%0.62323%0.229SC*.SBendtrans-74.4-16.9-176.630.1-36.5000114.4
250Y88.5Confident91.2Very high167 Ų16748 Ų4866%0.65524%0.243SC*.SBendtrans-101.5-35.3178.7-56.3-79000112.3D248 H274D248-Y250 VanDerWaalsContact C-N 3.32Å; D248-Y250 PolarHBondContact O-N 3.08Å; D248-Y250 WeakPolarHBondContact OD1-CA 3.26Å; D248-Y250 WeakPolarHBondContact OD1-CB 3.46Å; D248-Y250 PolarHBondContact OD1-N 3.12Å; Y250-H274 AromaticContact CD2-CD2 3.32Å; Y250-H274 WeakPolarHBondContact CD2-CD2 3.17Å; Y250-H274 AromaticContact CD2-NE2 3.72Å; Y250-H274 AromaticContact CE2-CD2 3.67Å; Y250-H274 AromaticContact CE2-NE2 3.58Å; Y250-H274 AromaticContact CG-CD2 3.96Å
251M85.7Confident90.9Very high57 Ų5756.4 Ų56.428%0.28128%0.282SS..  trans-127.590.8-178.1-68.1-179.5172.900110.9D248 E253 V254 H274 F277D248-M251 PolarHBondContact OD1-N 3.34Å; M251-E253 PolarHBondContact O-N 3.45Å; M251-V254 HydrophobicContact CB-CB 4.35Å; M251-V254 HydrophobicContact CB-CG2 3.85Å; M251-V254 WeakPolarHBondContact O-CB 3.09Å; M251-V254 PolarHBondContact O-N 2.94Å; M251-H274 HydrophobicContact CE-CB 4Å; M251-H274 HydrophobicContact CG-CB 4.4Å; M251-H274 HydrophobicContact SD-CB 3.95Å; M251-F277 HydrophobicContact CE-CB 3.77Å; M251-F277 HydrophobicContact SD-CB 3.82Å; M251-F277 HydrophobicContact SD-CD2 4.05Å; M251-F277 HydrophobicContact SD-CG 4.04Å
252H83.3Confident90.8Very high140 Ų14058.6 Ų58.665%0.64829%0.294SS*.THydrogen-bonded Turntrans-64.8-12.4-175.1-56-24.7000115.2V247 D248V247-H252 HydrophobicContact CG1-CB 4.28Å; D248-H252 PolarHBondContact O-ND1 3.16Å; D248-H252 VanDerWaalsContact O-ND1 3.11Å
253E86.8Confident90.7Very high136 Ų13659.7 Ų59.764%0.63630%0.298SS*.THydrogen-bonded Turntrans-75.4-13.7171-64.4171.2-178.100112.6M251 C292 F293M251-E253 PolarHBondContact O-N 3.45Å; E253-C292 VanDerWaalsContact O-CA 3.3Å; E253-C292 WeakPolarHBondContact O-CA 3.44Å; E253-C292 WeakPolarHBondContact O-CB 3.23Å; E253-F293 PolarHBondContact O-N 2.75Å
254V92.2Very high90.5Very high5 Ų563.5 Ų63.53%0.0333%0.325CS..EExtended strand (participates in β ladder)trans-93.4126.9175.9176.50000110D248 M251 H256 L273 F277 F293D248-V254 HydrophobicContact CB-CB 3.89Å; D248-V254 HydrophobicContact CB-CG1 4.01Å; D248-V254 PolarHBondContact N-O 2.77Å; D248-V254 VanDerWaalsContact N-O 3.11Å; M251-V254 HydrophobicContact CB-CB 4.35Å; M251-V254 HydrophobicContact CB-CG2 3.85Å; M251-V254 WeakPolarHBondContact O-CB 3.09Å; M251-V254 PolarHBondContact O-N 2.94Å; V254-H256 VanDerWaalsContact CG1-CE1 3.46Å; V254-H256 WeakPolarHBondContact CG1-CE1 3.43Å; V254-L273 HydrophobicContact CG1-CD2 3.69Å; V254-F277 HydrophobicContact CG2-CD2 4.45Å; V254-F277 HydrophobicContact CG2-CE2 3.83Å; V254-F277 HydrophobicContact CG2-CZ 4.29Å; V254-F293 WeakPolarHBondContact CA-O 3.33Å; V254-F293 HydrophobicContact CG1-CD1 4.17Å; V254-F293 HydrophobicContact CG2-CB 4.39Å; V254-F293 HydrophobicContact CG2-CD1 4.41Å
255T93.9Very high90.5Very high28 Ų2863.1 Ų63.117%0.17232%0.324CS..EExtended strand (participates in β ladder)trans-131.3136.6178.753.20000111.5V247 F293 K294 T295V247-T255 HydrophobicContact CG2-CG2 4.35Å; T255-F293 PolarHBondContact N-O 2.94Å; T255-K294 CarbonylContact O-C 3.26Å; T255-K294 VanDerWaalsContact O-CA 3.3Å; T255-K294 WeakPolarHBondContact O-CA 3.48Å; T255-T295 PolarHBondContact O-N 3.37Å
256H94.9Very high90.5Very high1 Ų158.5 Ų58.51%0.00530%0.3CS..EExtended strand (participates in β ladder)trans-119.6141.7-177.6-47.9-75.5000110.8I245 L246 V254 L266 M270 T295I245-H256 WeakPolarHBondContact CA-O 3.47Å; L246-H256 HydrophobicContact CB-CB 4.22Å; L246-H256 PolarHBondContact N-O 3.31Å; L246-H256 PolarHBondContact O-CD2 2.75Å; L246-H256 PolarHBondContact O-N 3.48Å; V254-H256 VanDerWaalsContact CG1-CE1 3.46Å; V254-H256 WeakPolarHBondContact CG1-CE1 3.43Å; H256-L266 HydrophobicContact CB-CD1 4.12Å; H256-L266 HydrophobicContact CB-CD2 3.76Å; H256-L266 HydrophobicContact CB-CG 4.24Å; H256-M270 VanDerWaalsContact CE1-CG 3.41Å; H256-M270 WeakPolarHBondContact CE1-CG 3.48Å; H256-M270 PolarHBondContact CE1-SD 3.14Å; H256-T295 WeakPolarHBondContact CA-O 3.49Å; H256-T295 PolarHBondContact ND1-OG1 3.26Å
257F95Very high90.4Very high12 Ų1262.7 Ų62.75%0.05332%0.317CS..EExtended strand (participates in β ladder)trans-128.5123.6-178-59.4-93.4000108.1V202 V204 F243 E244 I245 K294 T295 V296 F297V202-F257 HydrophobicContact CG1-CE1 4.3Å; V204-F257 HydrophobicContact CG1-CD2 3.9Å; V204-F257 HydrophobicContact CG1-CE1 4.35Å; V204-F257 HydrophobicContact CG1-CE2 3.71Å; V204-F257 HydrophobicContact CG1-CG 4.33Å; V204-F257 HydrophobicContact CG1-CZ 3.95Å; V204-F257 HydrophobicContact CG2-CB 4.49Å; V204-F257 HydrophobicContact CG2-CD1 3.59Å; V204-F257 HydrophobicContact CG2-CD2 4.27Å; V204-F257 HydrophobicContact CG2-CE1 3.78Å; V204-F257 HydrophobicContact CG2-CE2 4.46Å; V204-F257 HydrophobicContact CG2-CG 3.86Å; V204-F257 HydrophobicContact CG2-CZ 4.23Å; F243-F257 HydrophobicContact CB-CB 4.05Å; F243-F257 HydrophobicContact CB-CD1 4.16Å; F243-F257 HydrophobicContact CD1-CB 4.41Å; F243-F257 HydrophobicContact CG-CB 4.14Å; E244-F257 WeakPolarHBondContact O-CA 3.33Å; I245-F257 HydrophobicContact CD1-CD1 4.5Å; I245-F257 HydrophobicContact CD1-CE1 3.9Å; I245-F257 HydrophobicContact CG1-CD1 3.92Å; I245-F257 HydrophobicContact CG1-CE1 3.77Å; I245-F257 HydrophobicContact CG2-CE1 4.13Å; I245-F257 HydrophobicContact CG2-CZ 4.44Å; F257-K294 HydrophobicContact CE2-CB 4.24Å; F257-K294 HydrophobicContact CE2-CG 4.21Å; F257-T295 PolarHBondContact N-O 3.29Å; F257-V296 HydrophobicContact CB-CB 4.48Å; F257-V296 HydrophobicContact CB-CG1 4.23Å; F257-V296 HydrophobicContact CB-CG2 4.24Å; F257-V296 HydrophobicContact CD2-CG2 4.28Å; F257-V296 WeakPolarHBondContact O-CA 3.29Å; F257-F297 PolarHBondContact O-N 3Å
258C94.1Very high90.3Very high0 Ų060.8 Ų60.80%030%0.304CS..EExtended strand (participates in β ladder)trans-132.7160.1172.569.10000111.2F243 E244 L262 L266 F297F243-C258 CarbonylContact C-O 3.59Å; F243-C258 VanDerWaalsContact CA-O 3.28Å; F243-C258 WeakPolarHBondContact CA-O 3.47Å; E244-C258 PolarHBondContact N-O 3.42Å; E244-C258 PolarHBondContact O-N 3.32Å; C258-L262 HydrophobicContact CB-CB 4.36Å; C258-L266 HydrophobicContact CB-CD2 4Å; C258-F297 HydrophobicContact CB-CB 4.23Å
259L91.6Very high90.4Very high20 Ų2060.6 Ų60.611%0.10530%0.303CS..  trans-59.3157.2167.9-59.3174.3000110.5H165 F243 L262 D299 T316H165-L259 HydrophobicContact CB-CD2 4.31Å; F243-L259 HydrophobicContact CD1-CD2 4.28Å; F243-L259 HydrophobicContact CE1-CD2 3.97Å; L259-L262 HydrophobicContact CB-CD1 4.13Å; L259-D299 HydrophobicContact CD1-CB 4.46Å; L259-T316 HydrophobicContact CD1-CG2 4.34Å
260P88.6Confident90.4Very high46 Ų4656.1 Ų56.130%0.29927%0.274SS..THydrogen-bonded Turntrans-57.4158.3-175.2-26.536000113.6P242 E244 L262P242-P260 HydrophobicContact CB-CG 4.24Å; P242-P260 HydrophobicContact CG-CG 4.22Å; P242-P260 VanDerWaalsContact O-CD 3.28Å; P242-P260 WeakPolarHBondContact O-CD 3.17Å; P242-P260 VanDerWaalsContact O-CG 3.27Å; P242-P260 WeakPolarHBondContact O-CG 3.37Å; E244-P260 WeakPolarHBondContact OE1-CA 3.33Å; P260-L262 PolarHBondContact O-N 3.36Å
261Q88.7Confident90.4Very high176 Ų17649.9 Ų49.982%0.82225%0.254SS*.THydrogen-bonded Turntrans68.5-17.7179.7-45174.811.700115.4E244 L263 P264E244-Q261 PolarHBondContact OE1-N 2.92Å; Q261-L263 VanDerWaalsContact C-N 3.34Å; Q261-L263 PolarHBondContact O-N 2.82Å; Q261-P264 WeakPolarHBondContact O-CD 3.05Å
262L90.9Very high90.4Very high47 Ų4749 Ų4925%0.24625%0.248CC..  trans-81.6-7.9-178.3-57.9-178.7000114.4C258 L259 P260 P264 L265 L266 T316 L319C258-L262 HydrophobicContact CB-CB 4.36Å; L259-L262 HydrophobicContact CB-CD1 4.13Å; P260-L262 PolarHBondContact O-N 3.36Å; L262-P264 VanDerWaalsContact C-N 3.34Å; L262-P264 VanDerWaalsContact O-N 3.16Å; L262-L265 HydrophobicContact CD2-CD1 4.33Å; L262-L265 WeakPolarHBondContact O-CB 3.46Å; L262-L265 PolarHBondContact O-N 2.91Å; L262-L266 PolarHBondContact O-N 3.1Å; L262-L266 VanDerWaalsContact O-N 3.12Å; L262-T316 HydrophobicContact CD1-CG2 4.08Å; L262-L319 HydrophobicContact CB-CD1 4.18Å; L262-L319 HydrophobicContact CD1-CD1 4.04Å
263L90Very high90.8Very high37 Ų3742.5 Ų42.519%0.19422%0.218CC..Hα-helixtrans-49.2-38.5-177-173.273.4000115.4E244 L246 Q261 L265 L266 K267E244-L263 VanDerWaalsContact OE2-CB 3.3Å; E244-L263 WeakPolarHBondContact OE2-CB 3.33Å; E244-L263 WeakPolarHBondContact OE2-CD2 3.33Å; L246-L263 HydrophobicContact CB-CD1 3.88Å; L246-L263 HydrophobicContact CD1-CD1 4.39Å; Q261-L263 VanDerWaalsContact C-N 3.34Å; Q261-L263 PolarHBondContact O-N 2.82Å; L263-L265 VanDerWaalsContact C-N 3.34Å; L263-L265 PolarHBondContact O-N 3.16Å; L263-L266 HydrophobicContact CD1-CD2 4.37Å; L263-L266 PolarHBondContact O-N 2.95Å; L263-K267 WeakPolarHBondContact O-CG 3.33Å; L263-K267 PolarHBondContact O-N 2.95Å
264P91.3Very high91Very high92 Ų9237.7 Ų37.760%0.59720%0.196SC*.Hα-helixtrans-66.3-34.2177.3-21.234.6000113.4Q261 L262Q261-P264 WeakPolarHBondContact O-CD 3.05Å; L262-P264 VanDerWaalsContact C-N 3.34Å; L262-P264 VanDerWaalsContact O-N 3.16Å
265L91.2Very high90.9Very high58 Ų5840 Ų4030%0.30421%0.206SC..Hα-helixtrans-74-38.6177.3-55.1176.8000110.6L262 L263 H268 S269 L319L262-L265 HydrophobicContact CD2-CD1 4.33Å; L262-L265 WeakPolarHBondContact O-CB 3.46Å; L262-L265 PolarHBondContact O-N 2.91Å; L263-L265 VanDerWaalsContact C-N 3.34Å; L263-L265 PolarHBondContact O-N 3.16Å; L265-H268 PolarHBondContact O-N 2.96Å; L265-S269 VanDerWaalsContact O-CB 3.32Å; L265-S269 WeakPolarHBondContact O-CB 3.34Å; L265-S269 PolarHBondContact O-N 3.43Å; L265-S269 PolarHBondContact O-OG 3.1Å; L265-L319 HydrophobicContact CB-CB 4.12Å
266L91.8Very high90.8Very high0 Ų038.6 Ų38.60%020%0.198CC..Hα-helixtrans-58.9-48.7174.5-177.767000111.8L246 H256 C258 L262 L263 H268 S269 M270 F297 L319L246-L266 HydrophobicContact CB-CD2 3.98Å; L246-L266 HydrophobicContact CD2-CD2 3.91Å; L246-L266 HydrophobicContact CD2-CG 3.92Å; H256-L266 HydrophobicContact CB-CD1 4.12Å; H256-L266 HydrophobicContact CB-CD2 3.76Å; H256-L266 HydrophobicContact CB-CG 4.24Å; C258-L266 HydrophobicContact CB-CD2 4Å; L262-L266 PolarHBondContact O-N 3.1Å; L262-L266 VanDerWaalsContact O-N 3.12Å; L263-L266 HydrophobicContact CD1-CD2 4.37Å; L263-L266 PolarHBondContact O-N 2.95Å; L266-H268 PolarHBondContact O-N 3.26Å; L266-S269 PolarHBondContact O-N 2.83Å; L266-M270 HydrophobicContact CD1-CG 3.91Å; L266-M270 WeakPolarHBondContact O-CB 3.24Å; L266-M270 PolarHBondContact O-N 3.01Å; L266-F297 HydrophobicContact CD1-CD2 3.59Å; L266-F297 HydrophobicContact CD1-CE2 3.36Å; L266-F297 HydrophobicContact CD1-CZ 4.35Å; L266-L319 HydrophobicContact CB-CD2 4.29Å; L266-L319 HydrophobicContact CD1-CD2 3.9Å
267K90.9Very high90.7Very high115 Ų11539 Ų3950%0.520%0.199SC..Hα-helixtrans-56-34179-77.6175.4177.5178.10113.6L246 L263L246-K267 HydrophobicContact CD1-CD 4.45Å; L246-K267 HydrophobicContact CD1-CG 3.97Å; L246-K267 HydrophobicContact CD2-CB 4.44Å; L246-K267 HydrophobicContact CD2-CG 3.6Å; L246-K267 HydrophobicContact CG-CG 4.46Å; L263-K267 WeakPolarHBondContact O-CG 3.33Å; L263-K267 PolarHBondContact O-N 2.95Å
268H90.3Very high90.5Very high37 Ų3744.8 Ų44.817%0.17123%0.226CC..Hα-helixtrans-82.5-45.8173.8-176.556.2000112.5L265 L266 M270 S271 Y272 P322L265-H268 PolarHBondContact O-N 2.96Å; L266-H268 PolarHBondContact O-N 3.26Å; H268-M270 PolarHBondContact O-N 2.76Å; H268-S271 PolarHBondContact O-N 3.48Å; H268-S271 PolarHBondContact O-OG 2.76Å; H268-S271 VanDerWaalsContact O-OG 3.12Å; H268-Y272 PolarHBondContact CE1-OH 2.77Å; H268-Y272 VanDerWaalsContact CE1-OH 3.26Å; H268-P322 VanDerWaalsContact CD2-N 3.35Å; H268-P322 WeakPolarHBondContact NE2-CA 3.2Å
269S89.8Confident90.5Very high2 Ų246 Ų461%0.01423%0.232CC..Hα-helixtrans-63.1-27.9-174.7-56.10000113.2L265 L266 L319 H320L265-S269 VanDerWaalsContact O-CB 3.32Å; L265-S269 WeakPolarHBondContact O-CB 3.34Å; L265-S269 PolarHBondContact O-N 3.43Å; L265-S269 PolarHBondContact O-OG 3.1Å; L266-S269 PolarHBondContact O-N 2.83Å; S269-L319 WeakPolarHBondContact OG-CA 3.26Å; S269-H320 PolarHBondContact OG-N 2.85Å; S269-H320 PolarHBondContact OG-ND1 3.28Å; S269-H320 PolarHBondContact OG-O 3.46Å
270M89.7Confident90.6Very high3 Ų345 Ų452%0.01523%0.227CC..THydrogen-bonded Turntrans-96.9-8.9-179.6-77.3-66.617800115.3H256 L266 H268 Y272 L273 T295 F297 F314 L335H256-M270 VanDerWaalsContact CE1-CG 3.41Å; H256-M270 WeakPolarHBondContact CE1-CG 3.48Å; H256-M270 PolarHBondContact CE1-SD 3.14Å; L266-M270 HydrophobicContact CD1-CG 3.91Å; L266-M270 WeakPolarHBondContact O-CB 3.24Å; L266-M270 PolarHBondContact O-N 3.01Å; H268-M270 PolarHBondContact O-N 2.76Å; M270-Y272 PolarHBondContact O-N 3.02Å; M270-L273 WeakPolarHBondContact O-CB 3.4Å; M270-L273 PolarHBondContact O-N 3.19Å; M270-L273 HydrophobicContact SD-CB 4.27Å; M270-L273 HydrophobicContact SD-CD2 3.93Å; M270-T295 HydrophobicContact CE-CG2 3.72Å; M270-T295 WeakPolarHBondContact CE-OG1 3.48Å; M270-T295 HydrophobicContact SD-CG2 4.5Å; M270-F297 HydrophobicContact CE-CE2 3.49Å; M270-F297 VanDerWaalsContact CE-CE2 3.49Å; M270-F297 HydrophobicContact CE-CZ 3.64Å; M270-F314 HydrophobicContact CE-CE2 4.4Å; M270-L335 HydrophobicContact CE-CD2 3.5Å; M270-L335 VanDerWaalsContact CE-CD2 3.5Å; M270-L335 HydrophobicContact SD-CD1 4.19Å; M270-L335 HydrophobicContact SD-CD2 3.86Å
271S88.3Confident90.7Very high36 Ų3644.4 Ų44.425%0.25222%0.22SC..THydrogen-bonded Turntrans-63.5-6-173.368.90000115.1H268 H274H268-S271 PolarHBondContact O-N 3.48Å; H268-S271 PolarHBondContact O-OG 2.76Å; H268-S271 VanDerWaalsContact O-OG 3.12Å; S271-H274 PolarHBondContact O-CD2 2.88Å; S271-H274 PolarHBondContact O-NE2 2.95Å
272Y86.1Confident90.8Very high39 Ų3942.6 Ų42.615%0.15321%0.211CC..THydrogen-bonded Turntrans-107-1.3179.4-47.9-54.3000113.1H268 M270 H274 E275 I276 R332H268-Y272 PolarHBondContact CE1-OH 2.77Å; H268-Y272 VanDerWaalsContact CE1-OH 3.26Å; M270-Y272 PolarHBondContact O-N 3.02Å; Y272-H274 VanDerWaalsContact C-N 3.33Å; Y272-H274 PolarHBondContact O-N 3.22Å; Y272-E275 VanDerWaalsContact O-CB 3.31Å; Y272-E275 WeakPolarHBondContact O-CB 3.43Å; Y272-E275 PolarHBondContact O-N 3.24Å; Y272-I276 PolarHBondContact O-N 3.3Å; Y272-R332 HydrophobicContact CD2-CG 4.27Å; Y272-R332 VanDerWaalsContact CG-CZ 3.43Å
273L90.4Very high90.9Very high2 Ų241.7 Ų41.71%0.0121%0.207CC..Hα-helixtrans-66.9-35.4-176.817965.5000112V254 M270 E275 I276 F277 F293V254-L273 HydrophobicContact CG1-CD2 3.69Å; M270-L273 WeakPolarHBondContact O-CB 3.4Å; M270-L273 PolarHBondContact O-N 3.19Å; M270-L273 HydrophobicContact SD-CB 4.27Å; M270-L273 HydrophobicContact SD-CD2 3.93Å; L273-E275 VanDerWaalsContact C-N 3.25Å; L273-E275 PolarHBondContact O-N 2.94Å; L273-I276 HydrophobicContact CD1-CD1 4.39Å; L273-I276 WeakPolarHBondContact O-CB 3.4Å; L273-I276 PolarHBondContact O-N 3.05Å; L273-I276 VanDerWaalsContact O-N 3.09Å; L273-F277 HydrophobicContact CD1-CD2 4.24Å; L273-F277 HydrophobicContact CD1-CE2 4.07Å; L273-F277 HydrophobicContact CD2-CE2 4.14Å; L273-F277 HydrophobicContact CG-CD2 3.97Å; L273-F277 HydrophobicContact CG-CE2 3.89Å; L273-F277 WeakPolarHBondContact O-CD2 3.33Å; L273-F277 PolarHBondContact O-N 3.22Å; L273-F277 VanDerWaalsContact O-N 3.08Å; L273-F293 HydrophobicContact CD1-CE1 4.12Å; L273-F293 HydrophobicContact CD2-CD1 3.94Å; L273-F293 HydrophobicContact CD2-CE1 3.63Å; L273-F293 HydrophobicContact CG-CE1 4.45Å
274H90.5Very high90.8Very high36 Ų3640 Ų4017%0.16720%0.198CC..Hα-helixtrans-61.5-34174.571.974.9000112.1Y250 M251 S271 Y272 I276 F277 E278Y250-H274 AromaticContact CD2-CD2 3.32Å; Y250-H274 WeakPolarHBondContact CD2-CD2 3.17Å; Y250-H274 AromaticContact CD2-NE2 3.72Å; Y250-H274 AromaticContact CE2-CD2 3.67Å; Y250-H274 AromaticContact CE2-NE2 3.58Å; Y250-H274 AromaticContact CG-CD2 3.96Å; M251-H274 HydrophobicContact CE-CB 4Å; M251-H274 HydrophobicContact CG-CB 4.4Å; M251-H274 HydrophobicContact SD-CB 3.95Å; S271-H274 PolarHBondContact O-CD2 2.88Å; S271-H274 PolarHBondContact O-NE2 2.95Å; Y272-H274 VanDerWaalsContact C-N 3.33Å; Y272-H274 PolarHBondContact O-N 3.22Å; H274-I276 VanDerWaalsContact C-N 3.27Å; H274-I276 PolarHBondContact O-N 3.06Å; H274-F277 PolarHBondContact O-N 3.45Å; H274-E278 WeakPolarHBondContact O-CB 3.29Å; H274-E278 PolarHBondContact O-N 3.4Å
275E90.8Very high90.7Very high52 Ų5240.1 Ų40.124%0.24320%0.197CC..Hα-helixtrans-62.4-35.8175.1-51176.5171.500111Y272 L273 F279 R332Y272-E275 VanDerWaalsContact O-CB 3.31Å; Y272-E275 WeakPolarHBondContact O-CB 3.43Å; Y272-E275 PolarHBondContact O-N 3.24Å; L273-E275 VanDerWaalsContact C-N 3.25Å; L273-E275 PolarHBondContact O-N 2.94Å; E275-F279 VanDerWaalsContact O-CB 3.26Å; E275-F279 WeakPolarHBondContact O-CB 3.21Å; E275-F279 PolarHBondContact O-N 3.24Å; E275-R332 IonicContact OE1-NH2 3.68Å; E275-R332 IonicContact OE2-CZ 2.75Å; E275-R332 IonicContact OE2-NH1 2.76Å; E275-R332 PolarHBondContact OE2-NH1 2.99Å; E275-R332 IonicContact OE2-NH2 2.63Å; E275-R332 PolarHBondContact OE2-NH2 3.45Å
276I92.3Very high90.5Very high0 Ų038.9 Ų38.90%019%0.192CC..Hα-helixtrans-73.2-42.3178.8-56171.1000110.3Y272 L273 H274 Y280 L335 A336 L339 Y370Y272-I276 PolarHBondContact O-N 3.3Å; L273-I276 HydrophobicContact CD1-CD1 4.39Å; L273-I276 WeakPolarHBondContact O-CB 3.4Å; L273-I276 PolarHBondContact O-N 3.05Å; L273-I276 VanDerWaalsContact O-N 3.09Å; H274-I276 VanDerWaalsContact C-N 3.27Å; H274-I276 PolarHBondContact O-N 3.06Å; I276-Y280 HydrophobicContact CG2-CD2 4.17Å; I276-Y280 HydrophobicContact CG2-CE1 4.4Å; I276-Y280 HydrophobicContact CG2-CE2 3.88Å; I276-Y280 WeakPolarHBondContact O-CB 3.48Å; I276-Y280 PolarHBondContact O-N 3.48Å; I276-L335 HydrophobicContact CD1-CB 3.64Å; I276-A336 HydrophobicContact CD1-CB 4.34Å; I276-A336 HydrophobicContact CG2-CB 4.27Å; I276-L339 HydrophobicContact CB-CD2 4.46Å; I276-L339 HydrophobicContact CG2-CB 4.5Å; I276-L339 HydrophobicContact CG2-CD2 3.8Å; I276-Y370 HydrophobicContact CB-CE2 4.44Å; I276-Y370 HydrophobicContact CD1-CE1 4.5Å; I276-Y370 HydrophobicContact CG1-CD2 4.47Å; I276-Y370 HydrophobicContact CG1-CE1 4.15Å; I276-Y370 HydrophobicContact CG1-CE2 3.74Å
277F91.9Very high90.4Very high10 Ų1048 Ų484%0.04423%0.227CC..Hα-helixtrans-61.6-53175.6-89.7-77000111.8M251 V254 L273 H274 F279 Y280 E281 Y288 F293 L339M251-F277 HydrophobicContact CE-CB 3.77Å; M251-F277 HydrophobicContact SD-CB 3.82Å; M251-F277 HydrophobicContact SD-CD2 4.05Å; M251-F277 HydrophobicContact SD-CG 4.04Å; V254-F277 HydrophobicContact CG2-CD2 4.45Å; V254-F277 HydrophobicContact CG2-CE2 3.83Å; V254-F277 HydrophobicContact CG2-CZ 4.29Å; L273-F277 HydrophobicContact CD1-CD2 4.24Å; L273-F277 HydrophobicContact CD1-CE2 4.07Å; L273-F277 HydrophobicContact CD2-CE2 4.14Å; L273-F277 HydrophobicContact CG-CD2 3.97Å; L273-F277 HydrophobicContact CG-CE2 3.89Å; L273-F277 WeakPolarHBondContact O-CD2 3.33Å; L273-F277 PolarHBondContact O-N 3.22Å; L273-F277 VanDerWaalsContact O-N 3.08Å; H274-F277 PolarHBondContact O-N 3.45Å; F277-F279 VanDerWaalsContact C-N 3.32Å; F277-F279 PolarHBondContact O-N 2.96Å; F277-Y280 PolarHBondContact O-N 3.39Å; F277-Y280 VanDerWaalsContact O-N 3.13Å; F277-E281 WeakPolarHBondContact O-CG 3.37Å; F277-E281 PolarHBondContact O-N 3.47Å; F277-Y288 HydrophobicContact CE1-CD1 4.17Å; F277-Y288 AromaticContact CE1-CD2 3.85Å; F277-Y288 HydrophobicContact CE1-CD2 3.85Å; F277-Y288 HydrophobicContact CE1-CE2 4.28Å; F277-Y288 AromaticContact CE1-CG 3.79Å; F277-Y288 HydrophobicContact CE1-CG 3.79Å; F277-F293 AromaticContact CE2-CD1 3.75Å; F277-F293 HydrophobicContact CE2-CD1 3.75Å; F277-F293 HydrophobicContact CE2-CE1 4.25Å; F277-F293 HydrophobicContact CE2-CG 4.29Å; F277-F293 HydrophobicContact CZ-CB 3.82Å; F277-F293 AromaticContact CZ-CD1 3.72Å; F277-F293 HydrophobicContact CZ-CD1 3.72Å; F277-F293 HydrophobicContact CZ-CE1 4.42Å; F277-F293 AromaticContact CZ-CG 3.78Å; F277-F293 HydrophobicContact CZ-CG 3.78Å; F277-L339 HydrophobicContact CD1-CD2 3.94Å; F277-L339 HydrophobicContact CD2-CD2 3.96Å; F277-L339 HydrophobicContact CE1-CD1 4.01Å; F277-L339 HydrophobicContact CE1-CD2 3.96Å; F277-L339 HydrophobicContact CE1-CG 4.42Å; F277-L339 HydrophobicContact CE2-CD1 3.99Å; F277-L339 HydrophobicContact CE2-CD2 3.98Å; F277-L339 HydrophobicContact CG-CD2 3.94Å; F277-L339 HydrophobicContact CZ-CD1 3.56Å; F277-L339 HydrophobicContact CZ-CD2 3.99Å; F277-L339 HydrophobicContact CZ-CG 4.35Å
278E91.9Very high90.3Very high132 Ų13243.8 Ų43.862%0.61721%0.208SC*.Hα-helixtrans-55.3-47.8-179.2-175.8171.3-161.100111.4H274 Y280 E281 E282H274-E278 WeakPolarHBondContact O-CB 3.29Å; H274-E278 PolarHBondContact O-N 3.4Å; E278-Y280 PolarHBondContact O-N 3.22Å; E278-E281 PolarHBondContact O-N 2.9Å; E278-E282 WeakPolarHBondContact O-CB 3.34Å; E278-E282 PolarHBondContact O-N 2.8Å
279F93.1Very high90.2Very high25 Ų2543.4 Ų43.411%0.1121%0.209CC..Hα-helixtrans-65-35.8177.6-179.6-101.5000113.8E275 F277 I283 L369 Y370 K373E275-F279 VanDerWaalsContact O-CB 3.26Å; E275-F279 WeakPolarHBondContact O-CB 3.21Å; E275-F279 PolarHBondContact O-N 3.24Å; F277-F279 VanDerWaalsContact C-N 3.32Å; F277-F279 PolarHBondContact O-N 2.96Å; F279-I283 HydrophobicContact CD1-CD1 4.19Å; F279-I283 HydrophobicContact CD2-CD1 4.31Å; F279-I283 HydrophobicContact CE1-CD1 3.48Å; F279-I283 VanDerWaalsContact CE1-CD1 3.48Å; F279-I283 HydrophobicContact CE2-CD1 3.64Å; F279-I283 HydrophobicContact CE2-CG1 4.39Å; F279-I283 HydrophobicContact CZ-CD1 3.2Å; F279-I283 HydrophobicContact CZ-CG1 4.33Å; F279-I283 WeakPolarHBondContact O-CB 3.43Å; F279-I283 WeakPolarHBondContact O-CG1 3.44Å; F279-I283 PolarHBondContact O-N 2.94Å; F279-I283 VanDerWaalsContact O-N 3.08Å; F279-L369 HydrophobicContact CE1-CB 4.4Å; F279-L369 HydrophobicContact CZ-CB 4.28Å; F279-L369 WeakPolarHBondContact CZ-O 3.49Å; F279-Y370 AromaticContact CD1-CD2 3.71Å; F279-Y370 HydrophobicContact CD1-CD2 3.71Å; F279-Y370 HydrophobicContact CD1-CG 4.29Å; F279-Y370 HydrophobicContact CE1-CD2 4.14Å; F279-Y370 HydrophobicContact CE1-CG 4.37Å; F279-Y370 VanDerWaalsContact CE1-N 3.35Å; F279-Y370 HydrophobicContact CG-CD2 4.22Å; F279-K373 HydrophobicContact CD2-CG 4.26Å; F279-K373 HydrophobicContact CE2-CB 3.69Å; F279-K373 HydrophobicContact CE2-CG 3.7Å; F279-K373 HydrophobicContact CZ-CB 3.87Å; F279-K373 HydrophobicContact CZ-CG 4.39Å
280Y93Very high90.1Very high1 Ų143.7 Ų43.70%0.00421%0.21CC..Hα-helixtrans-75.4-36.4176.1-76.31.7000112.6I276 F277 E278 L284 A336 L339 A340 F343 I366 Y367I276-Y280 HydrophobicContact CG2-CD2 4.17Å; I276-Y280 HydrophobicContact CG2-CE1 4.4Å; I276-Y280 HydrophobicContact CG2-CE2 3.88Å; I276-Y280 WeakPolarHBondContact O-CB 3.48Å; I276-Y280 PolarHBondContact O-N 3.48Å; F277-Y280 PolarHBondContact O-N 3.39Å; F277-Y280 VanDerWaalsContact O-N 3.13Å; E278-Y280 PolarHBondContact O-N 3.22Å; Y280-L284 WeakPolarHBondContact O-CB 3.35Å; Y280-L284 VanDerWaalsContact O-CG 3.29Å; Y280-L284 WeakPolarHBondContact O-CG 3.45Å; Y280-L284 PolarHBondContact O-N 3.46Å; Y280-A336 PolarHBondContact OH-O 3.4Å; Y280-L339 HydrophobicContact CD2-CB 4.31Å; Y280-L339 HydrophobicContact CD2-CD2 3.97Å; Y280-L339 HydrophobicContact CD2-CG 4.33Å; Y280-L339 HydrophobicContact CE2-CB 3.95Å; Y280-L339 HydrophobicContact CE2-CD2 4.33Å; Y280-L339 HydrophobicContact CE2-CG 4.46Å; Y280-A340 HydrophobicContact CE2-CB 3.96Å; Y280-F343 HydrophobicContact CD2-CE2 4.32Å; Y280-I366 HydrophobicContact CD1-CG2 3.81Å; Y280-I366 HydrophobicContact CE1-CG2 3.47Å; Y280-I366 VanDerWaalsContact CE1-CG2 3.47Å; Y280-I366 HydrophobicContact CE2-CG2 4.21Å; Y280-I366 HydrophobicContact CG-CG2 4.34Å; Y280-Y367 WeakPolarHBondContact OH-CA 3.34Å; Y280-Y367 WeakPolarHBondContact OH-CB 3.27Å
281E91.3Very high90.1Very high32 Ų3246.2 Ų46.215%0.1523%0.228CC..Hα-helixtrans-69.6-34174.8-65.6-163.8148.500112F277 E278 T285 C286 R287 Y288F277-E281 WeakPolarHBondContact O-CG 3.37Å; F277-E281 PolarHBondContact O-N 3.47Å; E278-E281 PolarHBondContact O-N 2.9Å; E281-T285 VanDerWaalsContact O-CA 3.24Å; E281-T285 WeakPolarHBondContact O-CA 3.38Å; E281-T285 PolarHBondContact O-N 3.16Å; E281-C286 PolarHBondContact O-N 3.27Å; E281-R287 VanDerWaalsContact CD-CD 3.43Å; E281-R287 WeakPolarHBondContact OE1-CA 3.36Å; E281-R287 VanDerWaalsContact OE1-CD 3.25Å; E281-R287 WeakPolarHBondContact OE1-CD 3.19Å; E281-R287 WeakPolarHBondContact OE2-CD 3.47Å; E281-R287 IonicContact OE2-CZ 2.8Å; E281-R287 IonicContact OE2-NE 2.69Å; E281-R287 IonicContact OE2-NH1 3.17Å; E281-R287 PolarHBondContact OE2-NH1 3.37Å; E281-Y288 PolarHBondContact OE1-N 3.29Å
282E92.2Very high90.1Very high139 Ų13945.5 Ų45.565%0.6522%0.222SC*.Hα-helixtrans-61.1-57.9169.6-176.2-177.8-158.600111.2E278 L284 T285E278-E282 WeakPolarHBondContact O-CB 3.34Å; E278-E282 PolarHBondContact O-N 2.8Å; E282-L284 PolarHBondContact O-N 3.27Å; E282-T285 WeakPolarHBondContact O-CG2 3.34Å; E282-T285 PolarHBondContact O-N 2.95Å
283I91.1Very high90.4Very high28 Ų2843.8 Ų43.814%0.14422%0.216CC..Hα-helixtrans-66.3-39.7-175.2-77-173000113.2F279 T285 L369 L459F279-I283 HydrophobicContact CD1-CD1 4.19Å; F279-I283 HydrophobicContact CD2-CD1 4.31Å; F279-I283 HydrophobicContact CE1-CD1 3.48Å; F279-I283 VanDerWaalsContact CE1-CD1 3.48Å; F279-I283 HydrophobicContact CE2-CD1 3.64Å; F279-I283 HydrophobicContact CE2-CG1 4.39Å; F279-I283 HydrophobicContact CZ-CD1 3.2Å; F279-I283 HydrophobicContact CZ-CG1 4.33Å; F279-I283 WeakPolarHBondContact O-CB 3.43Å; F279-I283 WeakPolarHBondContact O-CG1 3.44Å; F279-I283 PolarHBondContact O-N 2.94Å; F279-I283 VanDerWaalsContact O-N 3.08Å; I283-T285 VanDerWaalsContact C-N 3.3Å; I283-L369 HydrophobicContact CD1-CB 4.19Å; I283-L369 HydrophobicContact CD1-CD1 4.14Å; I283-L369 HydrophobicContact CG2-CD1 4.43Å; I283-L459 HydrophobicContact CG2-CD1 4.33Å; I283-L459 HydrophobicContact CG2-CD2 3.63Å
284L89.3Confident90.6Very high1 Ų144.1 Ų44.11%0.00522%0.217CC..Hα-helixtrans-83.7-10.8179.7-60.3175.1000112Y280 E282 C286 F343 F344 I366 F462 L466Y280-L284 WeakPolarHBondContact O-CB 3.35Å; Y280-L284 VanDerWaalsContact O-CG 3.29Å; Y280-L284 WeakPolarHBondContact O-CG 3.45Å; Y280-L284 PolarHBondContact O-N 3.46Å; E282-L284 PolarHBondContact O-N 3.27Å; L284-C286 HydrophobicContact CB-CB 4.34Å; L284-C286 PolarHBondContact O-N 2.85Å; L284-C286 VanDerWaalsContact O-N 3.16Å; L284-F343 HydrophobicContact CD1-CD1 3.69Å; L284-F343 HydrophobicContact CD1-CD2 4.29Å; L284-F343 HydrophobicContact CD1-CE1 3.77Å; L284-F343 HydrophobicContact CD1-CE2 4.38Å; L284-F343 HydrophobicContact CD1-CG 3.95Å; L284-F343 HydrophobicContact CD1-CZ 4.13Å; L284-F344 HydrophobicContact CD1-CE2 4.26Å; L284-F344 HydrophobicContact CD2-CE2 4.11Å; L284-F344 HydrophobicContact CD2-CZ 4.35Å; L284-I366 HydrophobicContact CD2-CD1 3.96Å; L284-F462 HydrophobicContact CD2-CB 4.16Å; L284-F462 HydrophobicContact CD2-CD2 4.43Å; L284-L466 HydrophobicContact CB-CD1 3.85Å; L284-L466 HydrophobicContact CD1-CD1 4Å; L284-L466 HydrophobicContact CD2-CD1 3.98Å; L284-L466 HydrophobicContact CG-CD1 4.15Å
285T89.4Confident90.8Very high95 Ų9542.4 Ų42.458%0.58321%0.209SC*.THydrogen-bonded Turntrans50.532.8-174.3550000112.7E281 E282 I283 N463E281-T285 VanDerWaalsContact O-CA 3.24Å; E281-T285 WeakPolarHBondContact O-CA 3.38Å; E281-T285 PolarHBondContact O-N 3.16Å; E282-T285 WeakPolarHBondContact O-CG2 3.34Å; E282-T285 PolarHBondContact O-N 2.95Å; I283-T285 VanDerWaalsContact C-N 3.3Å; T285-N463 PolarHBondContact OG1-ND2 2.96Å
286C86.3Confident91Very high31 Ų3139.9 Ų39.921%0.20920%0.197CC..SBendtrans-146.3134.7-169.7-1760000109.3E281 L284 L466E281-C286 PolarHBondContact O-N 3.27Å; L284-C286 HydrophobicContact CB-CB 4.34Å; L284-C286 PolarHBondContact O-N 2.85Å; L284-C286 VanDerWaalsContact O-N 3.16Å; C286-L466 HydrophobicContact CB-CD1 4.35Å
287R89.3Confident91.1Very high193 Ų19340 Ų4073%0.72820%0.198SC*.  trans-65.8158172.6-68.1-62.3-167.4170.13.2111.7E281E281-R287 VanDerWaalsContact CD-CD 3.43Å; E281-R287 WeakPolarHBondContact OE1-CA 3.36Å; E281-R287 VanDerWaalsContact OE1-CD 3.25Å; E281-R287 WeakPolarHBondContact OE1-CD 3.19Å; E281-R287 WeakPolarHBondContact OE2-CD 3.47Å; E281-R287 IonicContact OE2-CZ 2.8Å; E281-R287 IonicContact OE2-NE 2.69Å; E281-R287 IonicContact OE2-NH1 3.17Å; E281-R287 PolarHBondContact OE2-NH1 3.37Å
288Y90.1Very high91.1Very high25 Ų2539.5 Ų39.510%0.09820%0.196CC..  trans-53.7128.9171.4-175.6-121.4000111F277 E281 Y290 F293 Q342 F343F277-Y288 HydrophobicContact CE1-CD1 4.17Å; F277-Y288 AromaticContact CE1-CD2 3.85Å; F277-Y288 HydrophobicContact CE1-CD2 3.85Å; F277-Y288 HydrophobicContact CE1-CE2 4.28Å; F277-Y288 AromaticContact CE1-CG 3.79Å; F277-Y288 HydrophobicContact CE1-CG 3.79Å; E281-Y288 PolarHBondContact OE1-N 3.29Å; Y288-Y290 VanDerWaalsContact C-N 3.29Å; Y288-Y290 WeakPolarHBondContact CD1-O 3.42Å; Y288-Y290 HydrophobicContact CE1-CD2 4.16Å; Y288-Y290 HydrophobicContact CE1-CG 4.4Å; Y288-Y290 HydrophobicContact CE2-CD2 4.14Å; Y288-Y290 AromaticContact CZ-CD2 3.75Å; Y288-Y290 PolarHBondContact O-N 2.95Å; Y288-F293 HydrophobicContact CE1-CB 3.97Å; Y288-F293 WeakPolarHBondContact OH-CD2 3.43Å; Y288-Q342 PolarHBondContact OH-OE1 3.02Å; Y288-F343 AromaticContact CD2-CE2 3.93Å; Y288-F343 HydrophobicContact CD2-CE2 3.93Å; Y288-F343 AromaticContact CD2-CZ 3.93Å; Y288-F343 HydrophobicContact CD2-CZ 3.93Å
289P86.6Confident91Very high30 Ų3036 Ų3620%0.19518%0.181CC..SBendtrans-74.3-10.4-170.7-22.134.6000116.2I229 F343 F347I229-P289 WeakPolarHBondContact CD1-O 3.35Å; P289-F343 HydrophobicContact CG-CD1 4.13Å; P289-F343 HydrophobicContact CG-CE1 4.16Å; P289-F347 HydrophobicContact CB-CB 4.5Å; P289-F347 HydrophobicContact CB-CD1 3.88Å; P289-F347 HydrophobicContact CB-CD2 3.61Å; P289-F347 HydrophobicContact CB-CE1 3.9Å; P289-F347 HydrophobicContact CB-CE2 3.64Å; P289-F347 HydrophobicContact CB-CG 3.73Å; P289-F347 HydrophobicContact CB-CZ 3.78Å; P289-F347 HydrophobicContact CG-CB 4.37Å; P289-F347 HydrophobicContact CG-CD1 3.59Å; P289-F347 HydrophobicContact CG-CD2 4.22Å; P289-F347 HydrophobicContact CG-CE1 3.81Å; P289-F347 HydrophobicContact CG-CE2 4.42Å; P289-F347 HydrophobicContact CG-CG 3.8Å; P289-F347 HydrophobicContact CG-CZ 4.22Å
290Y88.9Confident90.6Very high8 Ų836.1 Ų36.13%0.03118%0.182CC..SBendtrans-110.4152.6179.8-55-91.7000110.5L227 I229 T231 Y288 C292 A309 C346 F347L227-Y290 HydrophobicContact CD1-CD1 4.16Å; L227-Y290 HydrophobicContact CD1-CE1 4.2Å; I229-Y290 HydrophobicContact CB-CE1 4.31Å; I229-Y290 HydrophobicContact CD1-CD1 3.46Å; I229-Y290 VanDerWaalsContact CD1-CD1 3.46Å; I229-Y290 HydrophobicContact CD1-CE1 4.04Å; I229-Y290 HydrophobicContact CD1-CG 4.09Å; I229-Y290 HydrophobicContact CG2-CE1 4.01Å; T231-Y290 HydrophobicContact CG2-CE1 4.28Å; Y288-Y290 VanDerWaalsContact C-N 3.29Å; Y288-Y290 WeakPolarHBondContact CD1-O 3.42Å; Y288-Y290 HydrophobicContact CE1-CD2 4.16Å; Y288-Y290 HydrophobicContact CE1-CG 4.4Å; Y288-Y290 HydrophobicContact CE2-CD2 4.14Å; Y288-Y290 AromaticContact CZ-CD2 3.75Å; Y288-Y290 PolarHBondContact O-N 2.95Å; Y290-C292 VanDerWaalsContact C-N 3.32Å; Y290-C292 PolarHBondContact O-N 3.37Å; Y290-A309 HydrophobicContact CE1-CB 4.07Å; Y290-C346 PolarHBondContact OH-O 2.98Å; Y290-F347 HydrophobicContact CE2-CB 4.19Å; Y290-F347 PolarHBondContact OH-N 3.3Å
291S88.6Confident90.2Very high56 Ų5636.7 Ų36.739%0.39219%0.187SC..SBendtrans-69.1-19.8-179.336.40000115.6D208D208-S291 VanDerWaalsContact OD1-CB 3.26Å; D208-S291 WeakPolarHBondContact OD1-CB 3.38Å; D208-S291 PolarHBondContact OD1-OG 2.9Å; D208-S291 PolarHBondContact OD2-OG 3.27Å
292C89.6Confident89.8Confident20 Ų2035.7 Ų35.714%0.13518%0.182CC..  trans-153.6156.3176.259.40000111E253 Y290 S310E253-C292 VanDerWaalsContact O-CA 3.3Å; E253-C292 WeakPolarHBondContact O-CA 3.44Å; E253-C292 WeakPolarHBondContact O-CB 3.23Å; Y290-C292 VanDerWaalsContact C-N 3.32Å; Y290-C292 PolarHBondContact O-N 3.37Å; C292-S310 WeakPolarHBondContact O-CB 3.35Å
293F92.8Very high89.4Confident3 Ų330.6 Ų30.61%0.01316%0.16CC..EExtended strand (participates in β ladder)trans-121.3126.2172.9176.3-116.6000110.5E253 V254 T255 L273 F277 Y288 T295 L339 Q342E253-F293 PolarHBondContact O-N 2.75Å; V254-F293 WeakPolarHBondContact CA-O 3.33Å; V254-F293 HydrophobicContact CG1-CD1 4.17Å; V254-F293 HydrophobicContact CG2-CB 4.39Å; V254-F293 HydrophobicContact CG2-CD1 4.41Å; T255-F293 PolarHBondContact N-O 2.94Å; L273-F293 HydrophobicContact CD1-CE1 4.12Å; L273-F293 HydrophobicContact CD2-CD1 3.94Å; L273-F293 HydrophobicContact CD2-CE1 3.63Å; L273-F293 HydrophobicContact CG-CE1 4.45Å; F277-F293 AromaticContact CE2-CD1 3.75Å; F277-F293 HydrophobicContact CE2-CD1 3.75Å; F277-F293 HydrophobicContact CE2-CE1 4.25Å; F277-F293 HydrophobicContact CE2-CG 4.29Å; F277-F293 HydrophobicContact CZ-CB 3.82Å; F277-F293 AromaticContact CZ-CD1 3.72Å; F277-F293 HydrophobicContact CZ-CD1 3.72Å; F277-F293 HydrophobicContact CZ-CE1 4.42Å; F277-F293 AromaticContact CZ-CG 3.78Å; F277-F293 HydrophobicContact CZ-CG 3.78Å; Y288-F293 HydrophobicContact CE1-CB 3.97Å; Y288-F293 WeakPolarHBondContact OH-CD2 3.43Å; F293-T295 HydrophobicContact CD1-CG2 4.01Å; F293-T295 HydrophobicContact CE1-CG2 3.25Å; F293-T295 HydrophobicContact CZ-CG2 3.57Å; F293-L339 HydrophobicContact CD1-CD1 4.33Å; F293-L339 HydrophobicContact CD2-CD1 4.06Å; F293-L339 HydrophobicContact CE1-CD1 3.99Å; F293-L339 HydrophobicContact CE2-CD1 3.71Å; F293-L339 HydrophobicContact CG-CD1 4.36Å; F293-L339 HydrophobicContact CZ-CD1 3.66Å; F293-Q342 VanDerWaalsContact CD2-OE1 3.26Å
294K94.3Very high89Confident9 Ų933.9 Ų33.94%0.03918%0.175CC..EExtended strand (participates in β ladder)trans-114.1129.7-176.7-62.8167.8-179.9166.50110.7V204 S205 G207 T255 F257 S310 M311 S312V204-K294 HydrophobicContact CG1-CB 4.48Å; V204-K294 HydrophobicContact CG1-CD 4.01Å; S205-K294 WeakPolarHBondContact O-CD 3.34Å; S205-K294 PolarHBondContact O-NZ 3.3Å; G207-K294 PolarHBondContact O-NZ 3.01Å; T255-K294 CarbonylContact O-C 3.26Å; T255-K294 VanDerWaalsContact O-CA 3.3Å; T255-K294 WeakPolarHBondContact O-CA 3.48Å; F257-K294 HydrophobicContact CE2-CB 4.24Å; F257-K294 HydrophobicContact CE2-CG 4.21Å; K294-S310 PolarHBondContact N-O 3.13Å; K294-M311 HydrophobicContact CB-CB 4.07Å; K294-M311 HydrophobicContact CB-CG 3.88Å; K294-M311 HydrophobicContact CB-SD 4.38Å; K294-M311 CarbonylContact O-C 3.53Å; K294-M311 VanDerWaalsContact O-CA 3.25Å; K294-M311 WeakPolarHBondContact O-CA 3.06Å; K294-S312 PolarHBondContact O-N 3.35Å
295T94.3Very high88.9Confident0 Ų034.5 Ų34.50%018%0.178CC..EExtended strand (participates in β ladder)trans-115.4124.4170.7730000110.7T255 H256 F257 M270 F293 S312 F314T255-T295 PolarHBondContact O-N 3.37Å; H256-T295 WeakPolarHBondContact CA-O 3.49Å; H256-T295 PolarHBondContact ND1-OG1 3.26Å; F257-T295 PolarHBondContact N-O 3.29Å; M270-T295 HydrophobicContact CE-CG2 3.72Å; M270-T295 WeakPolarHBondContact CE-OG1 3.48Å; M270-T295 HydrophobicContact SD-CG2 4.5Å; F293-T295 HydrophobicContact CD1-CG2 4.01Å; F293-T295 HydrophobicContact CE1-CG2 3.25Å; F293-T295 HydrophobicContact CZ-CG2 3.57Å; T295-S312 WeakPolarHBondContact CA-O 3.27Å; T295-F314 HydrophobicContact CG2-CE2 3.84Å
296V94.9Very high88.8Confident0 Ų030.9 Ų30.90%016%0.157CC..EExtended strand (participates in β ladder)trans-113.3124.1177.1-168.40000110V204 A239 F243 F257 V298 M311 S312 I313 F314V204-V296 HydrophobicContact CB-CG2 4.12Å; V204-V296 HydrophobicContact CG1-CG2 3.92Å; V204-V296 HydrophobicContact CG2-CG2 4.5Å; A239-V296 HydrophobicContact CB-CB 4.45Å; A239-V296 HydrophobicContact CB-CG1 3.85Å; A239-V296 HydrophobicContact CB-CG2 4.38Å; F243-V296 HydrophobicContact CD1-CG1 4.36Å; F243-V296 HydrophobicContact CE1-CG1 3.71Å; F243-V296 HydrophobicContact CE2-CG1 4.06Å; F243-V296 HydrophobicContact CZ-CG1 3.54Å; F257-V296 HydrophobicContact CB-CB 4.48Å; F257-V296 HydrophobicContact CB-CG1 4.23Å; F257-V296 HydrophobicContact CB-CG2 4.24Å; F257-V296 HydrophobicContact CD2-CG2 4.28Å; F257-V296 WeakPolarHBondContact O-CA 3.29Å; V296-V298 HydrophobicContact CG1-CG1 3.91Å; V296-M311 HydrophobicContact CG2-CG 4.27Å; V296-M311 HydrophobicContact CG2-SD 3.76Å; V296-S312 PolarHBondContact N-O 3.11Å; V296-I313 WeakPolarHBondContact O-CA 3.45Å; V296-F314 PolarHBondContact O-N 3.21Å
297F94.7Very high89Confident2 Ų230.2 Ų30.21%0.00915%0.153CC..EExtended strand (participates in β ladder)trans-93.3117.6171-75.7-85.4000110.4F257 C258 L266 M270 F314 S315 T316 L318 L319F257-F297 PolarHBondContact O-N 3Å; C258-F297 HydrophobicContact CB-CB 4.23Å; L266-F297 HydrophobicContact CD1-CD2 3.59Å; L266-F297 HydrophobicContact CD1-CE2 3.36Å; L266-F297 HydrophobicContact CD1-CZ 4.35Å; M270-F297 HydrophobicContact CE-CE2 3.49Å; M270-F297 VanDerWaalsContact CE-CE2 3.49Å; M270-F297 HydrophobicContact CE-CZ 3.64Å; F297-F314 WeakPolarHBondContact CA-O 3.45Å; F297-F314 HydrophobicContact CD1-CB 3.75Å; F297-F314 HydrophobicContact CE1-CB 3.51Å; F297-F314 HydrophobicContact CE1-CG 4.26Å; F297-F314 HydrophobicContact CG-CB 4.43Å; F297-F314 HydrophobicContact CZ-CB 4.01Å; F297-F314 HydrophobicContact CZ-CD2 4.41Å; F297-F314 HydrophobicContact CZ-CG 4.32Å; F297-S315 WeakPolarHBondContact CD1-O 3.38Å; F297-T316 HydrophobicContact CB-CG2 4.4Å; F297-L318 HydrophobicContact CE1-CB 4.32Å; F297-L319 HydrophobicContact CB-CD1 4.2Å; F297-L319 HydrophobicContact CD1-CD1 3.96Å; F297-L319 HydrophobicContact CD1-CD2 3.83Å; F297-L319 HydrophobicContact CD1-CG 3.66Å; F297-L319 HydrophobicContact CD2-CD2 4.02Å; F297-L319 HydrophobicContact CE1-CD2 3.58Å; F297-L319 HydrophobicContact CE1-CG 3.75Å; F297-L319 HydrophobicContact CE2-CD2 3.78Å; F297-L319 HydrophobicContact CG-CD1 3.97Å; F297-L319 HydrophobicContact CG-CD2 4.03Å; F297-L319 HydrophobicContact CG-CG 4.08Å; F297-L319 HydrophobicContact CZ-CD2 3.54Å; F297-L319 HydrophobicContact CZ-CG 4.25Å
298V91.7Very high89.1Confident0 Ų022 Ų220%012%0.122CC..EExtended strand (participates in β ladder)trans-121152177.9-56.70000110.2F167 F243 V296 A301 I313 F314 T316F167-V298 HydrophobicContact CB-CG1 4.16Å; F167-V298 HydrophobicContact CD1-CB 3.77Å; F167-V298 HydrophobicContact CD1-CG1 3.94Å; F167-V298 HydrophobicContact CD1-CG2 3.91Å; F167-V298 HydrophobicContact CD2-CG2 4.02Å; F167-V298 HydrophobicContact CE1-CB 3.85Å; F167-V298 HydrophobicContact CE1-CG2 3.77Å; F167-V298 HydrophobicContact CE2-CG2 3.89Å; F167-V298 HydrophobicContact CG-CB 4.2Å; F167-V298 HydrophobicContact CG-CG1 4.06Å; F167-V298 HydrophobicContact CG-CG2 4.03Å; F167-V298 HydrophobicContact CZ-CB 4.36Å; F167-V298 HydrophobicContact CZ-CG2 3.76Å; F243-V298 HydrophobicContact CZ-CG1 4.45Å; V296-V298 HydrophobicContact CG1-CG1 3.91Å; V298-A301 HydrophobicContact CG2-CB 4.03Å; V298-I313 HydrophobicContact CB-CG2 4.48Å; V298-I313 HydrophobicContact CG1-CG2 4.15Å; V298-I313 HydrophobicContact CG2-CG2 3.51Å; V298-F314 PolarHBondContact N-O 3.09Å; V298-T316 PolarHBondContact O-N 3.46Å; V298-T316 PolarHBondContact O-OG1 2.7Å
299D89.3Confident89Confident58 Ų5820.8 Ų20.831%0.3112%0.117SC..SBendtrans-82.1166.5170.1-151.4-9.3000110.5H165 F167 L259 A301H165-D299 PolarHBondContact NE2-N 3.22Å; H165-D299 VanDerWaalsContact NE2-N 3.12Å; F167-D299 VanDerWaalsContact CE1-O 3.24Å; F167-D299 WeakPolarHBondContact CE1-O 3.38Å; F167-D299 WeakPolarHBondContact CZ-O 3.44Å; L259-D299 HydrophobicContact CD1-CB 4.46Å; D299-A301 PolarHBondContact O-N 3.37Å
300E85.1Confident89.2Confident28 Ų2819.4 Ų19.413%0.13111%0.108CC..SBendtrans5525.2176.9-51.7-164.3145.300115H149 V151 Y302 Y869 V908H149-E300 IonicContact CD2-OE2 2.67Å; H149-E300 IonicContact CE1-OE2 3.51Å; H149-E300 IonicContact NE2-OE2 2.67Å; H149-E300 PolarHBondContact NE2-OE2 3.45Å; V151-E300 HydrophobicContact CG2-CB 4.2Å; V151-E300 HydrophobicContact CG2-CG 4.29Å; E300-Y302 PolarHBondContact O-N 2.83Å; E300-Y869 WeakPolarHBondContact OE1-CE2 3.38Å; E300-V908 HydrophobicContact CB-CG1 4.34Å; E300-V908 HydrophobicContact CG-CG2 4.46Å; E300-V908 VanDerWaalsContact OE1-CG2 3.29Å; E300-V908 WeakPolarHBondContact OE1-CG2 3.44Å
301A85.3Confident89.4Confident12 Ų1219 Ų1910%0.09911%0.107CC..  trans-59.1125.9-174.900000113.4V298 D299 V303V298-A301 HydrophobicContact CG2-CB 4.03Å; D299-A301 PolarHBondContact O-N 3.37Å; A301-V303 VanDerWaalsContact C-N 3.28Å; A301-V303 PolarHBondContact O-N 2.8Å
302Y83.3Confident89.7Confident11 Ų1116.3 Ų16.34%0.0439%0.088CC..SBendtrans-55.2-36.5-177.4-177.1-102.3000114.8F169 E300 H909 D953 R955F169-Y302 HydrophobicContact CD2-CD1 4.22Å; F169-Y302 AromaticContact CD2-CD2 3.51Å; F169-Y302 HydrophobicContact CD2-CD2 3.51Å; F169-Y302 HydrophobicContact CD2-CE2 4.18Å; F169-Y302 AromaticContact CD2-CG 3.53Å; F169-Y302 HydrophobicContact CD2-CG 3.53Å; F169-Y302 AromaticContact CE2-CD2 3.59Å; F169-Y302 HydrophobicContact CE2-CD2 3.59Å; F169-Y302 AromaticContact CE2-CE2 3.97Å; F169-Y302 HydrophobicContact CE2-CE2 3.97Å; F169-Y302 HydrophobicContact CE2-CG 4.12Å; F169-Y302 HydrophobicContact CG-CG 4.49Å; E300-Y302 PolarHBondContact O-N 2.83Å; Y302-H909 HydrophobicContact CD2-CB 3.81Å; Y302-H909 HydrophobicContact CE2-CB 4.1Å; Y302-D953 WeakPolarHBondContact CE2-OD2 3.42Å; Y302-D953 PolarHBondContact OH-OD1 3.02Å; Y302-R955 PolarHBondContact O-NH1 3.03Å; Y302-R955 WeakPolarHBondContact OH-CB 3.37Å
303V83.8Confident89.9Confident32 Ų3215.6 Ų15.619%0.1948%0.083CC..SBendtrans-138147.2170176.10000106.8A301 V305 W432A301-V303 VanDerWaalsContact C-N 3.28Å; A301-V303 PolarHBondContact O-N 2.8Å; V303-V305 WeakPolarHBondContact CG1-O 3.48Å; V303-V305 PolarHBondContact O-N 3.36Å; V303-V305 VanDerWaalsContact O-N 3.09Å; V303-W432 HydrophobicContact CG2-CH2 3.81Å; V303-W432 HydrophobicContact CG2-CZ2 4.21Å
304Q82.9Confident89.9Confident97 Ų9715.5 Ų15.545%0.4538%0.082SC..SBendtrans-55.9-28.5-176.9-64.6176.6-9.400113.9S315Q304-S315 PolarHBondContact O-N 2.68Å; Q304-S315 VanDerWaalsContact O-N 3.16Å
305V86.2Confident89.8Confident14 Ų1415.5 Ų15.59%0.0858%0.083CC..EExtended strand (participates in β ladder)trans-138.1125.2179.3179.70000108.9V303 F314 L318 C334 A338V303-V305 WeakPolarHBondContact CG1-O 3.48Å; V303-V305 PolarHBondContact O-N 3.36Å; V303-V305 VanDerWaalsContact O-N 3.09Å; V305-F314 HydrophobicContact CG1-CD1 4.44Å; V305-F314 HydrophobicContact CG1-CE1 4.01Å; V305-F314 HydrophobicContact CG2-CD1 4.03Å; V305-F314 HydrophobicContact CG2-CE1 4.04Å; V305-L318 HydrophobicContact CG2-CD1 4.5Å; V305-C334 HydrophobicContact CG2-CB 3.58Å; V305-A338 HydrophobicContact CG1-CB 3.48Å; V305-A338 VanDerWaalsContact CG1-CB 3.48Å
306S88.2Confident89.6Confident19 Ų1916.4 Ų16.413%0.1339%0.089CC..EExtended strand (participates in β ladder)trans-129.1110.9172.7-640000110Y308 S312 I313S306-Y308 WeakPolarHBondContact O-CD2 3.46Å; S306-S312 WeakPolarHBondContact O-CA 3.48Å; S306-I313 PolarHBondContact N-O 3.16Å; S306-I313 PolarHBondContact O-N 2.87Å
307S89.9Confident89.3Confident18 Ų1817.8 Ų17.813%0.12610%0.096CC..EExtended strand (participates in β ladder)trans-95.7125.3-172.1-400000111.1A338 Q341S307-A338 PolarHBondContact OG-O 2.94Å; S307-Q341 PolarHBondContact OG-OE1 2.87Å
308Y91.3Very high89Confident20 Ų2017.9 Ų17.98%0.07810%0.097CC..EExtended strand (participates in β ladder)trans-130.3175.7-178.9-60.7-82.5000111.4N235 S237 S306 S310 M311 I313 Q342N235-Y308 WeakPolarHBondContact O-CB 3.38Å; S237-Y308 VanDerWaalsContact OG-CB 3.23Å; S237-Y308 WeakPolarHBondContact OG-CB 3.4Å; S237-Y308 WeakPolarHBondContact OG-CD2 3.24Å; S306-Y308 WeakPolarHBondContact O-CD2 3.46Å; Y308-S310 PolarHBondContact O-N 3.27Å; Y308-M311 CarbonylContact C-O 3.55Å; Y308-M311 VanDerWaalsContact C-O 3.27Å; Y308-M311 VanDerWaalsContact CA-O 3.27Å; Y308-M311 WeakPolarHBondContact CA-O 3.44Å; Y308-M311 VanDerWaalsContact CB-O 3.31Å; Y308-M311 WeakPolarHBondContact CB-O 3.31Å; Y308-M311 PolarHBondContact N-O 2.86Å; Y308-M311 PolarHBondContact O-N 3.38Å; Y308-I313 HydrophobicContact CD2-CD1 4.36Å; Y308-I313 HydrophobicContact CD2-CG1 4.25Å; Y308-I313 HydrophobicContact CE2-CB 4.41Å; Y308-I313 HydrophobicContact CE2-CD1 3.89Å; Y308-I313 HydrophobicContact CE2-CG1 4.08Å; Y308-Q342 WeakPolarHBondContact O-CG 3.3Å; Y308-Q342 PolarHBondContact O-NE2 3.43Å
309A88.1Confident88.9Confident0 Ų018.1 Ų18.10%010%0.098CC..THydrogen-bonded Turntrans-63.7123.617700000111.1C206 L227 T231 N235 Y290 M311C206-A309 HydrophobicContact CB-CB 4.34Å; C206-A309 VanDerWaalsContact CB-O 3.24Å; C206-A309 WeakPolarHBondContact CB-O 3.48Å; C206-A309 PolarHBondContact SG-O 3.23Å; L227-A309 HydrophobicContact CD2-CB 3.92Å; T231-A309 HydrophobicContact CG2-CB 3.99Å; N235-A309 HydrophobicContact CB-CB 4.36Å; N235-A309 WeakPolarHBondContact O-CB 3.32Å; N235-A309 PolarHBondContact O-N 3.44Å; Y290-A309 HydrophobicContact CE1-CB 4.07Å; A309-M311 PolarHBondContact O-N 3.29Å
310S90.6Very high88.9Confident0 Ų015.5 Ų15.50%08%0.084CC..THydrogen-bonded Turntrans52.66.5-176.691.70000116.7G207 C292 K294 Y308G207-S310 PolarHBondContact N-OG 3.36Å; C292-S310 WeakPolarHBondContact O-CB 3.35Å; K294-S310 PolarHBondContact N-O 3.13Å; Y308-S310 PolarHBondContact O-N 3.27Å
311M93.1Very high89.1Confident0 Ų015.4 Ų15.40%09%0.087CC..EExtended strand (participates in β ladder)trans-145.8143.1-176-174164.175.500111.5V204 S237 K294 V296 Y308 A309 Q342V204-M311 HydrophobicContact CB-SD 4.21Å; V204-M311 HydrophobicContact CG1-SD 3.66Å; S237-M311 WeakPolarHBondContact OG-CE 3.44Å; K294-M311 HydrophobicContact CB-CB 4.07Å; K294-M311 HydrophobicContact CB-CG 3.88Å; K294-M311 HydrophobicContact CB-SD 4.38Å; K294-M311 CarbonylContact O-C 3.53Å; K294-M311 VanDerWaalsContact O-CA 3.25Å; K294-M311 WeakPolarHBondContact O-CA 3.06Å; V296-M311 HydrophobicContact CG2-CG 4.27Å; V296-M311 HydrophobicContact CG2-SD 3.76Å; Y308-M311 CarbonylContact C-O 3.55Å; Y308-M311 VanDerWaalsContact C-O 3.27Å; Y308-M311 VanDerWaalsContact CA-O 3.27Å; Y308-M311 WeakPolarHBondContact CA-O 3.44Å; Y308-M311 VanDerWaalsContact CB-O 3.31Å; Y308-M311 WeakPolarHBondContact CB-O 3.31Å; Y308-M311 PolarHBondContact N-O 2.86Å; Y308-M311 PolarHBondContact O-N 3.38Å; A309-M311 PolarHBondContact O-N 3.29Å; M311-Q342 VanDerWaalsContact C-NE2 3.33Å; M311-Q342 VanDerWaalsContact N-NE2 3.18Å; M311-Q342 PolarHBondContact O-NE2 3.34Å; M311-Q342 VanDerWaalsContact O-NE2 3.11Å
312S93.6Very high89.1Confident0 Ų018.5 Ų18.50%011%0.105CC..EExtended strand (participates in β ladder)trans-129.8131.9171.6-68.80000110.3K294 T295 V296 S306 F314 Q342K294-S312 PolarHBondContact O-N 3.35Å; T295-S312 WeakPolarHBondContact CA-O 3.27Å; V296-S312 PolarHBondContact N-O 3.11Å; S306-S312 WeakPolarHBondContact O-CA 3.48Å; S312-F314 VanDerWaalsContact CB-CE2 3.49Å; S312-Q342 PolarHBondContact OG-NE2 3.44Å
313I94.1Very high89.3Confident5 Ų523 Ų233%0.02613%0.128CC..EExtended strand (participates in β ladder)trans-98.8130.6176-58-178.5000108.2V296 V298 S306 Y308V296-I313 WeakPolarHBondContact O-CA 3.45Å; V298-I313 HydrophobicContact CB-CG2 4.48Å; V298-I313 HydrophobicContact CG1-CG2 4.15Å; V298-I313 HydrophobicContact CG2-CG2 3.51Å; S306-I313 PolarHBondContact N-O 3.16Å; S306-I313 PolarHBondContact O-N 2.87Å; Y308-I313 HydrophobicContact CD2-CD1 4.36Å; Y308-I313 HydrophobicContact CD2-CG1 4.25Å; Y308-I313 HydrophobicContact CE2-CB 4.41Å; Y308-I313 HydrophobicContact CE2-CD1 3.89Å; Y308-I313 HydrophobicContact CE2-CG1 4.08Å
314F93.2Very high89.5Confident1 Ų122.1 Ų22.10%0.00412%0.122CC..EExtended strand (participates in β ladder)trans-125.1150.2-176.7-66-81.3000110.7M270 T295 V296 F297 V298 V305 S312 L318 L335 A338M270-F314 HydrophobicContact CE-CE2 4.4Å; T295-F314 HydrophobicContact CG2-CE2 3.84Å; V296-F314 PolarHBondContact O-N 3.21Å; F297-F314 WeakPolarHBondContact CA-O 3.45Å; F297-F314 HydrophobicContact CD1-CB 3.75Å; F297-F314 HydrophobicContact CE1-CB 3.51Å; F297-F314 HydrophobicContact CE1-CG 4.26Å; F297-F314 HydrophobicContact CG-CB 4.43Å; F297-F314 HydrophobicContact CZ-CB 4.01Å; F297-F314 HydrophobicContact CZ-CD2 4.41Å; F297-F314 HydrophobicContact CZ-CG 4.32Å; V298-F314 PolarHBondContact N-O 3.09Å; V305-F314 HydrophobicContact CG1-CD1 4.44Å; V305-F314 HydrophobicContact CG1-CE1 4.01Å; V305-F314 HydrophobicContact CG2-CD1 4.03Å; V305-F314 HydrophobicContact CG2-CE1 4.04Å; S312-F314 VanDerWaalsContact CB-CE2 3.49Å; F314-L318 HydrophobicContact CB-CD1 4.42Å; F314-L318 HydrophobicContact CD1-CD1 3.98Å; F314-L335 HydrophobicContact CE1-CD2 3.92Å; F314-L335 HydrophobicContact CE2-CD2 4.27Å; F314-L335 HydrophobicContact CZ-CD2 3.72Å; F314-A338 HydrophobicContact CE1-CB 3.73Å; F314-A338 HydrophobicContact CZ-CB 3.55Å
315S91.8Very high89.6Confident8 Ų818 Ų186%0.05610%0.103CC..EExtended strand (participates in β ladder)trans-69.3133.5167.6-179.80000111.1F297 Q304 N317 L318F297-S315 WeakPolarHBondContact CD1-O 3.38Å; Q304-S315 PolarHBondContact O-N 2.68Å; Q304-S315 VanDerWaalsContact O-N 3.16Å; S315-N317 PolarHBondContact O-N 3.09Å; S315-N317 WeakPolarHBondContact OG-CB 3.43Å; S315-N317 PolarHBondContact OG-N 3.14Å; S315-L318 PolarHBondContact O-N 2.98Å; S315-L318 VanDerWaalsContact O-N 3.09Å
316T91Very high89.5Confident19 Ų1918.3 Ų18.312%0.11710%0.104CC..G310 helixtrans-43.5-32.8164.540.90000113.2L259 L262 F297 V298 L318 L319L259-T316 HydrophobicContact CD1-CG2 4.34Å; L262-T316 HydrophobicContact CD1-CG2 4.08Å; F297-T316 HydrophobicContact CB-CG2 4.4Å; V298-T316 PolarHBondContact O-N 3.46Å; V298-T316 PolarHBondContact O-OG1 2.7Å; T316-L318 PolarHBondContact O-N 2.74Å; T316-L318 VanDerWaalsContact O-N 3.07Å; T316-L319 VanDerWaalsContact O-CB 3.3Å; T316-L319 WeakPolarHBondContact O-CB 3.09Å; T316-L319 WeakPolarHBondContact O-CG 3.27Å; T316-L319 PolarHBondContact O-N 3.1Å
317N88.5Confident89.5Confident29 Ų2917.4 Ų17.416%0.15510%0.098CC..G310 helixtrans-59-20.8-179.5-64.9-8.3000114.5S315 R836 F872S315-N317 PolarHBondContact O-N 3.09Å; S315-N317 WeakPolarHBondContact OG-CB 3.43Å; S315-N317 PolarHBondContact OG-N 3.14Å; N317-R836 PolarHBondContact O-NE 3.2Å; N317-R836 VanDerWaalsContact O-NE 3.09Å; N317-R836 PolarHBondContact O-NH2 2.94Å; N317-F872 VanDerWaalsContact OD1-CE2 3.3Å; N317-F872 WeakPolarHBondContact OD1-CE2 3.35Å; N317-F872 VanDerWaalsContact OD1-CZ 3.23Å; N317-F872 WeakPolarHBondContact OD1-CZ 3.38Å
318L88.1Confident89.3Confident4 Ų417.5 Ų17.52%0.02110%0.098CC..G310 helixtrans-80-15.6177.5-62.7176.4000113.4F297 V305 F314 S315 T316 H320 T331 C334F297-L318 HydrophobicContact CE1-CB 4.32Å; V305-L318 HydrophobicContact CG2-CD1 4.5Å; F314-L318 HydrophobicContact CB-CD1 4.42Å; F314-L318 HydrophobicContact CD1-CD1 3.98Å; S315-L318 PolarHBondContact O-N 2.98Å; S315-L318 VanDerWaalsContact O-N 3.09Å; T316-L318 PolarHBondContact O-N 2.74Å; T316-L318 VanDerWaalsContact O-N 3.07Å; L318-H320 PolarHBondContact O-ND1 3.43Å; L318-T331 HydrophobicContact CB-CG2 4.31Å; L318-T331 PolarHBondContact O-OG1 2.97Å; L318-C334 HydrophobicContact CD1-CB 3.88Å; L318-C334 HydrophobicContact CD2-CB 4.42Å
319L89.9Confident89Confident6 Ų618.4 Ų18.43%0.03111%0.106CC..  trans-71.9128.9177.1-62.9175.8000110.4L262 L265 L266 S269 F297 T316 F835L262-L319 HydrophobicContact CB-CD1 4.18Å; L262-L319 HydrophobicContact CD1-CD1 4.04Å; L265-L319 HydrophobicContact CB-CB 4.12Å; L266-L319 HydrophobicContact CB-CD2 4.29Å; L266-L319 HydrophobicContact CD1-CD2 3.9Å; S269-L319 WeakPolarHBondContact OG-CA 3.26Å; F297-L319 HydrophobicContact CB-CD1 4.2Å; F297-L319 HydrophobicContact CD1-CD1 3.96Å; F297-L319 HydrophobicContact CD1-CD2 3.83Å; F297-L319 HydrophobicContact CD1-CG 3.66Å; F297-L319 HydrophobicContact CD2-CD2 4.02Å; F297-L319 HydrophobicContact CE1-CD2 3.58Å; F297-L319 HydrophobicContact CE1-CG 3.75Å; F297-L319 HydrophobicContact CE2-CD2 3.78Å; F297-L319 HydrophobicContact CG-CD1 3.97Å; F297-L319 HydrophobicContact CG-CD2 4.03Å; F297-L319 HydrophobicContact CG-CG 4.08Å; F297-L319 HydrophobicContact CZ-CD2 3.54Å; F297-L319 HydrophobicContact CZ-CG 4.25Å; T316-L319 VanDerWaalsContact O-CB 3.3Å; T316-L319 WeakPolarHBondContact O-CB 3.09Å; T316-L319 WeakPolarHBondContact O-CG 3.27Å; T316-L319 PolarHBondContact O-N 3.1Å; L319-F835 WeakPolarHBondContact O-CE2 3.37Å
320H89.2Confident89.1Confident3 Ų323 Ų231%0.01413%0.128CC..  trans-145.1158.8-177.159.6-69.7000112.9S269 L318 I324 Q327 F835S269-H320 PolarHBondContact OG-N 2.85Å; S269-H320 PolarHBondContact OG-ND1 3.28Å; S269-H320 PolarHBondContact OG-O 3.46Å; L318-H320 PolarHBondContact O-ND1 3.43Å; H320-I324 HydrophobicContact CB-CB 4.42Å; H320-I324 HydrophobicContact CB-CD1 4.14Å; H320-Q327 HydrophobicContact CB-CB 4.23Å; H320-Q327 HydrophobicContact CB-CG 3.92Å; H320-F835 HydrophobicContact CB-CE2 4.34Å; H320-F835 HydrophobicContact CB-CZ 4.24Å
321S88.8Confident89.1Confident26 Ų2623.2 Ų23.218%0.18213%0.129CC..  trans-85.3150.6172.8166.20000110.2M323 I324S321-M323 PolarHBondContact O-N 3.25Å; S321-M323 PolarHBondContact OG-N 3.33Å; S321-I324 WeakPolarHBondContact O-CB 3.45Å; S321-I324 PolarHBondContact O-N 2.93Å
322P86.1Confident88.9Confident76 Ų7624.3 Ų24.349%0.49413%0.133SC..THydrogen-bonded Turntrans-58.2-10172.924-35.2000114.4H268 I324H268-P322 VanDerWaalsContact CD2-N 3.35Å; H268-P322 WeakPolarHBondContact NE2-CA 3.2Å; P322-I324 PolarHBondContact O-N 3.37Å
323M86.7Confident88.7Confident106 Ų10627.5 Ų27.552%0.52215%0.145SC..THydrogen-bonded Turntrans-77-3173.2-58.317817700113.6S321 S779S321-M323 PolarHBondContact O-N 3.25Å; S321-M323 PolarHBondContact OG-N 3.33Å; M323-S779 WeakPolarHBondContact O-CB 3.24Å; M323-S779 PolarHBondContact O-N 2.72Å; M323-S779 PolarHBondContact O-OG 3.16Å
324I87.4Confident88.6Confident13 Ų1327.8 Ų27.87%0.06715%0.148CC..  trans-118.6101.1-169.2-55.4170000110H320 S321 P322 Q327 T328 Y782 F835H320-I324 HydrophobicContact CB-CB 4.42Å; H320-I324 HydrophobicContact CB-CD1 4.14Å; S321-I324 WeakPolarHBondContact O-CB 3.45Å; S321-I324 PolarHBondContact O-N 2.93Å; P322-I324 PolarHBondContact O-N 3.37Å; I324-Q327 HydrophobicContact CG2-CB 3.87Å; I324-T328 PolarHBondContact O-OG1 2.96Å; I324-Y782 HydrophobicContact CG2-CE2 3.87Å; I324-F835 HydrophobicContact CD1-CB 3.79Å; I324-F835 HydrophobicContact CD1-CD1 4.16Å; I324-F835 HydrophobicContact CD1-CD2 3.64Å; I324-F835 HydrophobicContact CD1-CE2 4.23Å; I324-F835 HydrophobicContact CD1-CG 3.6Å; I324-F835 HydrophobicContact CG2-CD1 4.01Å; I324-F835 HydrophobicContact CG2-CE1 4.29Å; I324-F835 HydrophobicContact CG2-CG 4.48Å
325I84.9Confident88.5Confident12 Ų1228 Ų286%0.06215%0.148CC..THydrogen-bonded Turntrans-73-56.2-171.6-58.2167000110.9Q327 T328 P329 F730 F733 Y736 F778I325-Q327 PolarHBondContact O-N 3Å; I325-T328 WeakPolarHBondContact O-CB 3.31Å; I325-T328 PolarHBondContact O-N 3.08Å; I325-T328 PolarHBondContact O-OG1 3Å; I325-P329 WeakPolarHBondContact O-CD 3.45Å; I325-F730 HydrophobicContact CD1-CB 3.7Å; I325-F730 HydrophobicContact CD1-CD2 4.44Å; I325-F733 HydrophobicContact CD1-CD1 3.93Å; I325-F733 HydrophobicContact CD1-CE1 3.65Å; I325-F733 HydrophobicContact CG1-CD1 4.46Å; I325-F733 HydrophobicContact CG1-CE1 3.87Å; I325-F733 HydrophobicContact CG1-CZ 4.26Å; I325-F733 HydrophobicContact CG2-CD1 3.93Å; I325-F733 HydrophobicContact CG2-CD2 4.13Å; I325-F733 HydrophobicContact CG2-CE1 3.86Å; I325-F733 HydrophobicContact CG2-CE2 4.04Å; I325-F733 HydrophobicContact CG2-CG 4.09Å; I325-F733 HydrophobicContact CG2-CZ 3.92Å; I325-Y736 HydrophobicContact CD1-CD1 4.35Å; I325-F778 HydrophobicContact CD1-CB 4.04Å; I325-F778 HydrophobicContact CD1-CD1 3.99Å; I325-F778 HydrophobicContact CD1-CD2 4.26Å; I325-F778 HydrophobicContact CD1-CG 3.83Å; I325-F778 HydrophobicContact CG1-CB 4.4Å; I325-F778 HydrophobicContact CG1-CD1 3.71Å; I325-F778 HydrophobicContact CG1-CE1 4.15Å; I325-F778 HydrophobicContact CG1-CG 4.09Å
326D85Confident88.6Confident19 Ų1927.6 Ų27.610%0.10215%0.146CC..THydrogen-bonded Turntrans-58.3-27.4-169.9-51.8-117.7000114.3Y736 K740 Y782D326-Y736 PolarHBondContact OD2-OH 3.23Å; D326-K740 IonicContact OD1-NZ 3.86Å; D326-K740 PolarHBondContact OD1-NZ 2.75Å; D326-Y782 HydrophobicContact CB-CD2 3.88Å; D326-Y782 HydrophobicContact CB-CE2 3.81Å; D326-Y782 HydrophobicContact CB-CG 4.37Å; D326-Y782 VanDerWaalsContact OD2-CD2 3.23Å; D326-Y782 WeakPolarHBondContact OD2-CD2 3.36Å
327Q87.9Confident88.6Confident0 Ų028.5 Ų28.50%015%0.149CC..Hα-helixtrans-79.9-24.9179.9-172.954.54500113.3H320 I324 I325 Q330 T331 F835H320-Q327 HydrophobicContact CB-CB 4.23Å; H320-Q327 HydrophobicContact CB-CG 3.92Å; I324-Q327 HydrophobicContact CG2-CB 3.87Å; I325-Q327 PolarHBondContact O-N 3Å; Q327-Q330 PolarHBondContact O-N 3.22Å; Q327-T331 PolarHBondContact NE2-OG1 3.29Å; Q327-T331 PolarHBondContact O-N 3.42Å; Q327-T331 PolarHBondContact O-OG1 2.79Å; Q327-F835 HydrophobicContact CB-CE1 4.09Å; Q327-F835 HydrophobicContact CB-CZ 4.48Å; Q327-F835 HydrophobicContact CG-CE1 4.03Å; Q327-F835 HydrophobicContact CG-CZ 4Å
328T85.6Confident88.8Confident20 Ų2027.1 Ų27.112%0.12314%0.141CC..Hα-helixtrans-53.5-53.5-177.5-56.60000113.2I324 I325 Q330 R332I324-T328 PolarHBondContact O-OG1 2.96Å; I325-T328 WeakPolarHBondContact O-CB 3.31Å; I325-T328 PolarHBondContact O-N 3.08Å; I325-T328 PolarHBondContact O-OG1 3Å; T328-Q330 PolarHBondContact O-N 3.48Å; T328-R332 PolarHBondContact O-N 2.83Å; T328-R332 VanDerWaalsContact O-N 3.1Å
329P86.4Confident89Confident40 Ų4026.9 Ų26.926%0.2614%0.14SC..Hα-helixtrans-66.7-36-18026.1-35000112.6I325 R333 F375I325-P329 WeakPolarHBondContact O-CD 3.45Å; P329-R333 WeakPolarHBondContact O-CB 3.13Å; P329-R333 PolarHBondContact O-N 2.93Å; P329-F375 HydrophobicContact CB-CE1 3.81Å; P329-F375 HydrophobicContact CB-CZ 3.97Å
330Q88.3Confident89.2Confident97 Ų9726.7 Ų26.745%0.45314%0.139SC..Hα-helixtrans-63.2-49.9178.3-60.7-173.815.900111.1Q327 T328 R333 C334Q327-Q330 PolarHBondContact O-N 3.22Å; T328-Q330 PolarHBondContact O-N 3.48Å; Q330-R333 PolarHBondContact O-N 2.86Å; Q330-C334 PolarHBondContact O-N 3.09Å; Q330-C334 PolarHBondContact O-SG 3.3Å
331T90.7Very high89.2Confident4 Ų427.5 Ų27.53%0.02514%0.143CC..Hα-helixtrans-63.7-43.9179.2-62.80000111.4L318 Q327 R333 C334 L335L318-T331 HydrophobicContact CB-CG2 4.31Å; L318-T331 PolarHBondContact O-OG1 2.97Å; Q327-T331 PolarHBondContact NE2-OG1 3.29Å; Q327-T331 PolarHBondContact O-N 3.42Å; Q327-T331 PolarHBondContact O-OG1 2.79Å; T331-R333 VanDerWaalsContact C-N 3.35Å; T331-R333 PolarHBondContact O-N 3Å; T331-C334 PolarHBondContact O-N 3.02Å; T331-L335 HydrophobicContact CG2-CD1 4.27Å; T331-L335 HydrophobicContact CG2-CG 4.45Å; T331-L335 WeakPolarHBondContact O-CG 3.39Å; T331-L335 PolarHBondContact O-N 3.13Å
332R89.3Confident89.4Confident22 Ų2226.3 Ų26.38%0.08314%0.135CC..Hα-helixtrans-57.8-43.3174.1-78.7177.6171.4-111.28.8112.3Y272 E275 T328 L335 A336 Y370 F375Y272-R332 HydrophobicContact CD2-CG 4.27Å; Y272-R332 VanDerWaalsContact CG-CZ 3.43Å; E275-R332 IonicContact OE1-NH2 3.68Å; E275-R332 IonicContact OE2-CZ 2.75Å; E275-R332 IonicContact OE2-NH1 2.76Å; E275-R332 PolarHBondContact OE2-NH1 2.99Å; E275-R332 IonicContact OE2-NH2 2.63Å; E275-R332 PolarHBondContact OE2-NH2 3.45Å; T328-R332 PolarHBondContact O-N 2.83Å; T328-R332 VanDerWaalsContact O-N 3.1Å; R332-L335 PolarHBondContact O-N 3.34Å; R332-A336 WeakPolarHBondContact O-CB 3.39Å; R332-A336 PolarHBondContact O-N 2.94Å; R332-Y370 PolarHBondContact NH1-OH 2.82Å; R332-F375 HydrophobicContact CB-CE2 4.43Å; R332-F375 HydrophobicContact CB-CZ 3.96Å; R332-F375 HydrophobicContact CG-CZ 4.49Å
333R90.1Very high89.6Confident68 Ų6822.8 Ų22.826%0.25711%0.111SC..Hα-helixtrans-61.5-44.6175.1-179.5174.5175.7157.92.7111.9P329 Q330 T331 A336 Q337 Y367 L371 W383 E387P329-R333 WeakPolarHBondContact O-CB 3.13Å; P329-R333 PolarHBondContact O-N 2.93Å; Q330-R333 PolarHBondContact O-N 2.86Å; T331-R333 VanDerWaalsContact C-N 3.35Å; T331-R333 PolarHBondContact O-N 3Å; R333-A336 PolarHBondContact O-N 3.11Å; R333-Q337 VanDerWaalsContact O-CB 3.31Å; R333-Q337 WeakPolarHBondContact O-CB 3.43Å; R333-Q337 PolarHBondContact O-N 2.88Å; R333-Y367 HydrophobicContact CG-CE2 4.41Å; R333-Y367 PolarHBondContact NH2-OH 3.05Å; R333-L371 HydrophobicContact CB-CD2 4.19Å; R333-L371 HydrophobicContact CG-CD1 4.29Å; R333-L371 HydrophobicContact CG-CD2 4.37Å; R333-W383 VanDerWaalsContact NH1-CD1 3.27Å; R333-E387 IonicContact NH2-OE1 3.77Å
334C91.7Very high89.6Confident11 Ų1117.7 Ų17.77%0.0749%0.087CC..Hα-helixtrans-61.9-42.2177.6-70.20000112.7V305 L318 Q330 T331 A338V305-C334 HydrophobicContact CG2-CB 3.58Å; L318-C334 HydrophobicContact CD1-CB 3.88Å; L318-C334 HydrophobicContact CD2-CB 4.42Å; Q330-C334 PolarHBondContact O-N 3.09Å; Q330-C334 PolarHBondContact O-SG 3.3Å; T331-C334 PolarHBondContact O-N 3.02Å; C334-A338 WeakPolarHBondContact O-CB 3.49Å; C334-A338 PolarHBondContact O-N 3.14Å
335L91.8Very high89.4Confident4 Ų417.5 Ų17.52%0.0219%0.087CC..Hα-helixtrans-63.9-47.7175.8-66174.4000111.7M270 I276 F314 T331 R332 Q337 A338 L339M270-L335 HydrophobicContact CE-CD2 3.5Å; M270-L335 VanDerWaalsContact CE-CD2 3.5Å; M270-L335 HydrophobicContact SD-CD1 4.19Å; M270-L335 HydrophobicContact SD-CD2 3.86Å; I276-L335 HydrophobicContact CD1-CB 3.64Å; F314-L335 HydrophobicContact CE1-CD2 3.92Å; F314-L335 HydrophobicContact CE2-CD2 4.27Å; F314-L335 HydrophobicContact CZ-CD2 3.72Å; T331-L335 HydrophobicContact CG2-CD1 4.27Å; T331-L335 HydrophobicContact CG2-CG 4.45Å; T331-L335 WeakPolarHBondContact O-CG 3.39Å; T331-L335 PolarHBondContact O-N 3.13Å; R332-L335 PolarHBondContact O-N 3.34Å; L335-Q337 VanDerWaalsContact C-N 3.33Å; L335-Q337 PolarHBondContact O-N 3.36Å; L335-A338 WeakPolarHBondContact O-CB 3.36Å; L335-A338 PolarHBondContact O-N 3.32Å; L335-L339 PolarHBondContact O-N 3.05Å; L335-L339 VanDerWaalsContact O-N 3.08Å
336A92.8Very high89.3Confident0 Ų017.1 Ų17.10%09%0.086CC..Hα-helixtrans-62.2-39.5178.800000112.3I276 Y280 R332 R333 A340 Y370I276-A336 HydrophobicContact CD1-CB 4.34Å; I276-A336 HydrophobicContact CG2-CB 4.27Å; Y280-A336 PolarHBondContact OH-O 3.4Å; R332-A336 WeakPolarHBondContact O-CB 3.39Å; R332-A336 PolarHBondContact O-N 2.94Å; R333-A336 PolarHBondContact O-N 3.11Å; A336-A340 WeakPolarHBondContact O-CB 3.29Å; A336-A340 PolarHBondContact O-N 3.23Å; A336-A340 VanDerWaalsContact O-N 3.09Å; A336-Y370 HydrophobicContact CB-CD1 3.56Å; A336-Y370 HydrophobicContact CB-CE1 3.98Å; A336-Y370 HydrophobicContact CB-CG 4.25Å
337Q92.5Very high89.4Confident38 Ų3816.3 Ų16.318%0.1788%0.081CC..Hα-helixtrans-64.8-42.3174.4-176.4-17913.900112.1R333 L335 Q341 Y367R333-Q337 VanDerWaalsContact O-CB 3.31Å; R333-Q337 WeakPolarHBondContact O-CB 3.43Å; R333-Q337 PolarHBondContact O-N 2.88Å; L335-Q337 VanDerWaalsContact C-N 3.33Å; L335-Q337 PolarHBondContact O-N 3.36Å; Q337-Q341 VanDerWaalsContact O-CG 3.29Å; Q337-Q341 WeakPolarHBondContact O-CG 3.47Å; Q337-Q341 PolarHBondContact O-N 3.18Å; Q337-Q341 VanDerWaalsContact O-N 3.17Å; Q337-Y367 HydrophobicContact CB-CD1 4.04Å; Q337-Y367 HydrophobicContact CB-CE1 4.29Å; Q337-Y367 HydrophobicContact CB-CG 4.45Å; Q337-Y367 HydrophobicContact CG-CD1 4.08Å; Q337-Y367 HydrophobicContact CG-CE1 3.98Å
338A91.9Very high89.5Confident0 Ų016.5 Ų16.50%08%0.082CC..Hα-helixtrans-60.3-49.9178.200000111.4V305 S307 F314 C334 L335 A340 Q341 Q342V305-A338 HydrophobicContact CG1-CB 3.48Å; V305-A338 VanDerWaalsContact CG1-CB 3.48Å; S307-A338 PolarHBondContact OG-O 2.94Å; F314-A338 HydrophobicContact CE1-CB 3.73Å; F314-A338 HydrophobicContact CZ-CB 3.55Å; C334-A338 WeakPolarHBondContact O-CB 3.49Å; C334-A338 PolarHBondContact O-N 3.14Å; L335-A338 WeakPolarHBondContact O-CB 3.36Å; L335-A338 PolarHBondContact O-N 3.32Å; A338-A340 PolarHBondContact O-N 3.49Å; A338-Q341 PolarHBondContact O-N 2.95Å; A338-Q342 PolarHBondContact O-N 2.93Å
339L92.9Very high89.6Confident0 Ų015.6 Ų15.60%08%0.077CC..Hα-helixtrans-67.6-39.4-175.8-151.172.6000111.3I276 F277 Y280 F293 L335 Q341 Q342 F343I276-L339 HydrophobicContact CB-CD2 4.46Å; I276-L339 HydrophobicContact CG2-CB 4.5Å; I276-L339 HydrophobicContact CG2-CD2 3.8Å; F277-L339 HydrophobicContact CD1-CD2 3.94Å; F277-L339 HydrophobicContact CD2-CD2 3.96Å; F277-L339 HydrophobicContact CE1-CD1 4.01Å; F277-L339 HydrophobicContact CE1-CD2 3.96Å; F277-L339 HydrophobicContact CE1-CG 4.42Å; F277-L339 HydrophobicContact CE2-CD1 3.99Å; F277-L339 HydrophobicContact CE2-CD2 3.98Å; F277-L339 HydrophobicContact CG-CD2 3.94Å; F277-L339 HydrophobicContact CZ-CD1 3.56Å; F277-L339 HydrophobicContact CZ-CD2 3.99Å; F277-L339 HydrophobicContact CZ-CG 4.35Å; Y280-L339 HydrophobicContact CD2-CB 4.31Å; Y280-L339 HydrophobicContact CD2-CD2 3.97Å; Y280-L339 HydrophobicContact CD2-CG 4.33Å; Y280-L339 HydrophobicContact CE2-CB 3.95Å; Y280-L339 HydrophobicContact CE2-CD2 4.33Å; Y280-L339 HydrophobicContact CE2-CG 4.46Å; F293-L339 HydrophobicContact CD1-CD1 4.33Å; F293-L339 HydrophobicContact CD2-CD1 4.06Å; F293-L339 HydrophobicContact CE1-CD1 3.99Å; F293-L339 HydrophobicContact CE2-CD1 3.71Å; F293-L339 HydrophobicContact CG-CD1 4.36Å; F293-L339 HydrophobicContact CZ-CD1 3.66Å; L335-L339 PolarHBondContact O-N 3.05Å; L335-L339 VanDerWaalsContact O-N 3.08Å; L339-Q341 VanDerWaalsContact C-N 3.29Å; L339-Q341 PolarHBondContact O-N 2.91Å; L339-Q342 PolarHBondContact O-N 3.24Å; L339-Q342 VanDerWaalsContact O-N 3.14Å; L339-F343 WeakPolarHBondContact O-CD2 3.47Å; L339-F343 PolarHBondContact O-N 3.12Å
340A92.6Very high89.6Confident1 Ų113.7 Ų13.71%0.0086%0.064CC..Hα-helixtrans-63.6-33.4175.800000112.8Y280 A336 A338 F344 S363 I366Y280-A340 HydrophobicContact CE2-CB 3.96Å; A336-A340 WeakPolarHBondContact O-CB 3.29Å; A336-A340 PolarHBondContact O-N 3.23Å; A336-A340 VanDerWaalsContact O-N 3.09Å; A338-A340 PolarHBondContact O-N 3.49Å; A340-F344 PolarHBondContact O-N 3.02Å; A340-S363 WeakPolarHBondContact CB-O 3.47Å; A340-S363 WeakPolarHBondContact O-CB 3.5Å; A340-I366 HydrophobicContact CB-CB 4.49Å; A340-I366 HydrophobicContact CB-CG2 4.35Å
341Q90.9Very high89.4Confident21 Ų2110.3 Ų10.310%0.0985%0.049CC..Hα-helixtrans-75.4-20.7175.8-72178.51700113.7S307 Q337 A338 L339 F344 G345 C346S307-Q341 PolarHBondContact OG-OE1 2.87Å; Q337-Q341 VanDerWaalsContact O-CG 3.29Å; Q337-Q341 WeakPolarHBondContact O-CG 3.47Å; Q337-Q341 PolarHBondContact O-N 3.18Å; Q337-Q341 VanDerWaalsContact O-N 3.17Å; A338-Q341 PolarHBondContact O-N 2.95Å; L339-Q341 VanDerWaalsContact C-N 3.29Å; L339-Q341 PolarHBondContact O-N 2.91Å; Q341-F344 CarbonylContact O-C 3.54Å; Q341-F344 VanDerWaalsContact O-C 3.26Å; Q341-G345 VanDerWaalsContact O-CA 3.27Å; Q341-G345 WeakPolarHBondContact O-CA 3.41Å; Q341-G345 PolarHBondContact O-N 3.34Å; Q341-C346 PolarHBondContact O-N 2.92Å
342Q91Very high89.1Confident1 Ų111.9 Ų11.91%0.0056%0.06CC..Hα-helixtrans-72.5-45.8171.6-72.8-170.3-29.400111.8Y288 F293 Y308 M311 S312 A338 L339 C346 F347Y288-Q342 PolarHBondContact OH-OE1 3.02Å; F293-Q342 VanDerWaalsContact CD2-OE1 3.26Å; Y308-Q342 WeakPolarHBondContact O-CG 3.3Å; Y308-Q342 PolarHBondContact O-NE2 3.43Å; M311-Q342 VanDerWaalsContact C-NE2 3.33Å; M311-Q342 VanDerWaalsContact N-NE2 3.18Å; M311-Q342 PolarHBondContact O-NE2 3.34Å; M311-Q342 VanDerWaalsContact O-NE2 3.11Å; S312-Q342 PolarHBondContact OG-NE2 3.44Å; A338-Q342 PolarHBondContact O-N 2.93Å; L339-Q342 PolarHBondContact O-N 3.24Å; L339-Q342 VanDerWaalsContact O-N 3.14Å; Q342-C346 WeakPolarHBondContact O-CB 3.25Å; Q342-C346 PolarHBondContact O-N 3.18Å; Q342-F347 PolarHBondContact O-N 3.22Å
343F90.7Very high88.8Confident1 Ų111.7 Ų11.70%0.0046%0.059CC..Hα-helixtrans-59.9-49171.6-76.7-90000111.2Y280 L284 Y288 P289 L339 I348 L466Y280-F343 HydrophobicContact CD2-CE2 4.32Å; L284-F343 HydrophobicContact CD1-CD1 3.69Å; L284-F343 HydrophobicContact CD1-CD2 4.29Å; L284-F343 HydrophobicContact CD1-CE1 3.77Å; L284-F343 HydrophobicContact CD1-CE2 4.38Å; L284-F343 HydrophobicContact CD1-CG 3.95Å; L284-F343 HydrophobicContact CD1-CZ 4.13Å; Y288-F343 AromaticContact CD2-CE2 3.93Å; Y288-F343 HydrophobicContact CD2-CE2 3.93Å; Y288-F343 AromaticContact CD2-CZ 3.93Å; Y288-F343 HydrophobicContact CD2-CZ 3.93Å; P289-F343 HydrophobicContact CG-CD1 4.13Å; P289-F343 HydrophobicContact CG-CE1 4.16Å; L339-F343 WeakPolarHBondContact O-CD2 3.47Å; L339-F343 PolarHBondContact O-N 3.12Å; F343-I348 PolarHBondContact O-N 3.24Å; F343-I348 VanDerWaalsContact O-N 3.17Å; F343-L466 HydrophobicContact CD1-CD2 4.12Å
344F88.1Confident88.5Confident0 Ų09.3 Ų9.30%05%0.054CC..BIsolated β-bridgetrans-118.287.6-176.4-60.9-87.5000111L284 A340 Q341 I348 I362 I366 F462 L466L284-F344 HydrophobicContact CD1-CE2 4.26Å; L284-F344 HydrophobicContact CD2-CE2 4.11Å; L284-F344 HydrophobicContact CD2-CZ 4.35Å; A340-F344 PolarHBondContact O-N 3.02Å; Q341-F344 CarbonylContact O-C 3.54Å; Q341-F344 VanDerWaalsContact O-C 3.26Å; F344-I348 HydrophobicContact CD1-CB 4.45Å; F344-I348 HydrophobicContact CD1-CD1 3.91Å; F344-I348 HydrophobicContact CE1-CD1 3.55Å; F344-I348 HydrophobicContact CZ-CD1 4.32Å; F344-I362 HydrophobicContact CB-CG2 4.3Å; F344-I362 HydrophobicContact CD1-CB 4.2Å; F344-I362 HydrophobicContact CD1-CD1 4.17Å; F344-I362 HydrophobicContact CD1-CG2 3.58Å; F344-I362 HydrophobicContact CD2-CG2 3.73Å; F344-I362 HydrophobicContact CE1-CD1 4.37Å; F344-I362 HydrophobicContact CE1-CG2 3.72Å; F344-I362 HydrophobicContact CE2-CG2 3.89Å; F344-I362 HydrophobicContact CG-CB 4.24Å; F344-I362 HydrophobicContact CG-CG2 3.58Å; F344-I362 HydrophobicContact CZ-CG2 3.88Å; F344-I366 HydrophobicContact CD2-CD1 3.58Å; F344-I366 HydrophobicContact CE2-CD1 3.31Å; F344-I366 HydrophobicContact CZ-CD1 4.18Å; F344-F462 HydrophobicContact CZ-CB 4.32Å; F344-L466 HydrophobicContact CE2-CD1 4.39Å; F344-L466 HydrophobicContact CZ-CD1 3.96Å; F344-L466 HydrophobicContact CZ-CD2 4.15Å; F344-L466 HydrophobicContact CZ-CG 4.01Å
345G81.9Confident88.3Confident8 Ų89.2 Ų9.28%0.0825%0.053CC..THydrogen-bonded Turntrans149.3-55-172.600000111.3N235 Q341 I348 S349N235-G345 PolarHBondContact ND2-O 3.34Å; Q341-G345 VanDerWaalsContact O-CA 3.27Å; Q341-G345 WeakPolarHBondContact O-CA 3.41Å; Q341-G345 PolarHBondContact O-N 3.34Å; G345-I348 CarbonylContact C-O 3.53Å; G345-I348 WeakPolarHBondContact CA-O 3.44Å; G345-I348 PolarHBondContact N-O 3.16Å; G345-S349 PolarHBondContact O-OG 3.32Å
346C82.3Confident88.2Confident4 Ų49.4 Ų9.43%0.0275%0.054CC..THydrogen-bonded Turntrans-90.8-46.7-179.5-54.30000113.9N235 Y290 Q341 Q342N235-C346 WeakPolarHBondContact ND2-CA 3.47Å; Y290-C346 PolarHBondContact OH-O 2.98Å; Q341-C346 PolarHBondContact O-N 2.92Å; Q342-C346 WeakPolarHBondContact O-CB 3.25Å; Q342-C346 PolarHBondContact O-N 3.18Å
347F87.3Confident88.1Confident2 Ų29.4 Ų9.41%0.0095%0.054CC..THydrogen-bonded Turntrans-87.5-57.8-178.8-178.7-114.6000112.6I229 P289 Y290 Q342 L466 A469 M485I229-F347 HydrophobicContact CG2-CD2 4.22Å; I229-F347 HydrophobicContact CG2-CE2 4.29Å; P289-F347 HydrophobicContact CB-CB 4.5Å; P289-F347 HydrophobicContact CB-CD1 3.88Å; P289-F347 HydrophobicContact CB-CD2 3.61Å; P289-F347 HydrophobicContact CB-CE1 3.9Å; P289-F347 HydrophobicContact CB-CE2 3.64Å; P289-F347 HydrophobicContact CB-CG 3.73Å; P289-F347 HydrophobicContact CB-CZ 3.78Å; P289-F347 HydrophobicContact CG-CB 4.37Å; P289-F347 HydrophobicContact CG-CD1 3.59Å; P289-F347 HydrophobicContact CG-CD2 4.22Å; P289-F347 HydrophobicContact CG-CE1 3.81Å; P289-F347 HydrophobicContact CG-CE2 4.42Å; P289-F347 HydrophobicContact CG-CG 3.8Å; P289-F347 HydrophobicContact CG-CZ 4.22Å; Y290-F347 HydrophobicContact CE2-CB 4.19Å; Y290-F347 PolarHBondContact OH-N 3.3Å; Q342-F347 PolarHBondContact O-N 3.22Å; F347-L466 HydrophobicContact CD1-CD2 4.03Å; F347-L466 HydrophobicContact CE1-CD2 4.24Å; F347-A469 HydrophobicContact CD1-CB 4.25Å; F347-A469 HydrophobicContact CE1-CB 3.59Å; F347-A469 HydrophobicContact CZ-CB 3.96Å; F347-M485 HydrophobicContact CD2-CE 4.06Å; F347-M485 HydrophobicContact CE2-CE 3.97Å; F347-M485 WeakPolarHBondContact O-CE 3.44Å
348I90.3Very high88.1Confident5 Ų57.6 Ų7.63%0.0265%0.046CC..BIsolated β-bridgetrans-85.4128.5162.3-64.5167.8000107.5F343 F344 G345 L359 L465 L466 A469 L487F343-I348 PolarHBondContact O-N 3.24Å; F343-I348 VanDerWaalsContact O-N 3.17Å; F344-I348 HydrophobicContact CD1-CB 4.45Å; F344-I348 HydrophobicContact CD1-CD1 3.91Å; F344-I348 HydrophobicContact CE1-CD1 3.55Å; F344-I348 HydrophobicContact CZ-CD1 4.32Å; G345-I348 CarbonylContact C-O 3.53Å; G345-I348 WeakPolarHBondContact CA-O 3.44Å; G345-I348 PolarHBondContact N-O 3.16Å; I348-L359 HydrophobicContact CG2-CD2 3.99Å; I348-L465 HydrophobicContact CD1-CB 3.98Å; I348-L466 HydrophobicContact CD1-CD2 3.66Å; I348-L466 HydrophobicContact CD1-CG 4.06Å; I348-L466 HydrophobicContact CG1-CD2 4.37Å; I348-A469 HydrophobicContact CG1-CB 3.88Å; I348-L487 HydrophobicContact CG2-CB 3.87Å; I348-L487 HydrophobicContact CG2-CD2 4.18Å
349S87.3Confident88.1Confident0 Ų07.8 Ų7.80%05%0.046CC..EExtended strand (participates in β ladder)trans-125.7174.4-176.3-140.70000113Y185 G345 M485 L486 L487Y185-S349 WeakPolarHBondContact CD1-OG 3.26Å; G345-S349 PolarHBondContact O-OG 3.32Å; S349-M485 PolarHBondContact N-O 2.64Å; S349-M485 VanDerWaalsContact N-O 3.07Å; S349-L486 CarbonylContact O-C 3.55Å; S349-L486 WeakPolarHBondContact O-CA 3Å; S349-L487 PolarHBondContact O-N 2.69Å
350R87.5Confident88Confident1 Ų19.3 Ų9.30%0.0045%0.053CC..EExtended strand (participates in β ladder)trans-96.1144.1-172.659175.6177.574-8.7113.3D109 Y185 S352 D355 E356 L359D109-R350 IonicContact OD2-NH1 3.29Å; D109-R350 PolarHBondContact OD2-NH1 2.74Å; Y185-R350 VanDerWaalsContact CD2-NH2 3.34Å; Y185-R350 HydrophobicContact CG-CG 4.19Å; R350-S352 WeakPolarHBondContact CD-O 3.44Å; R350-D355 HydrophobicContact CB-CB 4.3Å; R350-E356 WeakPolarHBondContact CD-OE2 3.35Å; R350-E356 IonicContact CZ-OE2 2.65Å; R350-E356 IonicContact NE-OE2 3.63Å; R350-E356 PolarHBondContact NE-OE2 2.95Å; R350-L359 HydrophobicContact CB-CD1 3.81Å; R350-L359 HydrophobicContact CG-CD1 4.37Å
351M83.6Confident88.1Confident25 Ų259.2 Ų9.212%0.1235%0.053CC..SBendtrans-72.1-39.8171.4-74.9-170.7169.300113.2F9 L486 L487 S488F9-M351 HydrophobicContact CB-CE 3.93Å; F9-M351 HydrophobicContact CB-SD 3.9Å; F9-M351 HydrophobicContact CD1-CE 4.47Å; F9-M351 HydrophobicContact CD1-CG 4.44Å; F9-M351 HydrophobicContact CD1-SD 4.1Å; F9-M351 HydrophobicContact CD2-SD 4.47Å; F9-M351 HydrophobicContact CG-CE 4.42Å; F9-M351 HydrophobicContact CG-SD 3.92Å; M351-L486 HydrophobicContact CE-CB 3.91Å; M351-L486 HydrophobicContact CG-CB 3.63Å; M351-L486 HydrophobicContact CG-CD1 4.45Å; M351-L487 PolarHBondContact N-O 3.31Å; M351-S488 VanDerWaalsContact SD-CB 3.58Å; M351-S488 PolarHBondContact SD-OG 3.12Å
352S83.8Confident88.2Confident37 Ų378.2 Ų8.226%0.2595%0.048SC..SBendtrans-144.6162.6-179.676.10000111.2R350 A354 D355R350-S352 WeakPolarHBondContact CD-O 3.44Å; S352-A354 PolarHBondContact O-N 2.99Å; S352-A354 PolarHBondContact OG-N 3.17Å; S352-D355 PolarHBondContact N-OD2 2.98Å; S352-D355 PolarHBondContact O-N 3.35Å; S352-D355 PolarHBondContact OG-OD2 2.9Å
353W84.4Confident88.3Confident18 Ų188.3 Ų8.37%0.0685%0.049CC..G310 helixtrans-51.4-38.6174.3172.6-121.1000113.2D109 Q172 D355 E356 I424 P427 L430 F435D109-W353 PolarHBondContact OD2-N 2.95Å; Q172-W353 VanDerWaalsContact CD-CZ3 3.45Å; Q172-W353 VanDerWaalsContact NE2-CH2 3.33Å; Q172-W353 VanDerWaalsContact OE1-CE3 3.23Å; W353-D355 PolarHBondContact O-N 3.45Å; W353-E356 HydrophobicContact CE3-CB 3.89Å; W353-E356 HydrophobicContact CE3-CG 4.3Å; W353-E356 HydrophobicContact CH2-CB 3.98Å; W353-E356 HydrophobicContact CH2-CG 3.84Å; W353-E356 HydrophobicContact CZ3-CB 3.42Å; W353-E356 VanDerWaalsContact CZ3-CB 3.42Å; W353-E356 HydrophobicContact CZ3-CG 3.39Å; W353-E356 WeakPolarHBondContact O-CB 3.17Å; W353-E356 PolarHBondContact O-N 2.69Å; W353-I424 PolarHBondContact NE1-O 3.12Å; W353-I424 VanDerWaalsContact NE1-O 3.11Å; W353-P427 HydrophobicContact CD2-CB 4.15Å; W353-P427 HydrophobicContact CD2-CG 4.37Å; W353-P427 HydrophobicContact CE3-CB 4.11Å; W353-P427 HydrophobicContact CE3-CG 4.38Å; W353-P427 HydrophobicContact CH2-CB 4.37Å; W353-P427 HydrophobicContact CZ2-CB 4.37Å; W353-P427 HydrophobicContact CZ3-CB 4.23Å; W353-L430 HydrophobicContact CH2-CD1 4.49Å; W353-L430 HydrophobicContact CZ2-CD1 3.47Å; W353-L430 VanDerWaalsContact CZ2-CD1 3.47Å; W353-F435 HydrophobicContact CH2-CE2 4.4Å
354A83.9Confident88.4Confident19 Ų198.5 Ų8.516%0.1575%0.05CC..G310 helixtrans-66.2-7.8179.600000114.4S352 H404 P405S352-A354 PolarHBondContact O-N 2.99Å; S352-A354 PolarHBondContact OG-N 3.17Å; A354-H404 PolarHBondContact O-ND1 3.42Å; A354-P405 HydrophobicContact CB-CG 4.34Å
355D87.6Confident88.7Confident9 Ų98.5 Ų8.55%0.0485%0.05CC..G310 helixtrans-100.6-4.1178.1-58.8-65000113.7R350 S352 W353 W357 V358 H404 T489R350-D355 HydrophobicContact CB-CB 4.3Å; S352-D355 PolarHBondContact N-OD2 2.98Å; S352-D355 PolarHBondContact O-N 3.35Å; S352-D355 PolarHBondContact OG-OD2 2.9Å; W353-D355 PolarHBondContact O-N 3.45Å; D355-W357 PolarHBondContact O-N 2.76Å; D355-W357 VanDerWaalsContact O-N 3.15Å; D355-V358 PolarHBondContact O-N 3.17Å; D355-V358 VanDerWaalsContact O-N 3.15Å; D355-H404 IonicContact OD1-CE1 2.75Å; D355-T489 WeakPolarHBondContact OD1-CB 3.25Å; D355-T489 PolarHBondContact OD1-N 3.18Å; D355-T489 PolarHBondContact OD1-OG1 3.07Å
356E88.2Confident89.3Confident7 Ų78.1 Ų8.13%0.0335%0.047CC..Hα-helixtrans-55.2-33.7-178.9-178.178.9-144.200112.8R350 W353 V358 L359 K360 F438R350-E356 WeakPolarHBondContact CD-OE2 3.35Å; R350-E356 IonicContact CZ-OE2 2.65Å; R350-E356 IonicContact NE-OE2 3.63Å; R350-E356 PolarHBondContact NE-OE2 2.95Å; W353-E356 HydrophobicContact CE3-CB 3.89Å; W353-E356 HydrophobicContact CE3-CG 4.3Å; W353-E356 HydrophobicContact CH2-CB 3.98Å; W353-E356 HydrophobicContact CH2-CG 3.84Å; W353-E356 HydrophobicContact CZ3-CB 3.42Å; W353-E356 VanDerWaalsContact CZ3-CB 3.42Å; W353-E356 HydrophobicContact CZ3-CG 3.39Å; W353-E356 WeakPolarHBondContact O-CB 3.17Å; W353-E356 PolarHBondContact O-N 2.69Å; E356-V358 PolarHBondContact O-N 2.82Å; E356-V358 VanDerWaalsContact O-N 3.14Å; E356-L359 PolarHBondContact O-N 3.38Å; E356-K360 HydrophobicContact CG-CG 4.09Å; E356-K360 PolarHBondContact O-N 2.95Å; E356-K360 WeakPolarHBondContact OE1-CE 3.43Å; E356-K360 WeakPolarHBondContact OE1-CG 3.19Å; E356-K360 IonicContact OE1-NZ 3.47Å; E356-F438 HydrophobicContact CB-CE1 4.27Å; E356-F438 HydrophobicContact CB-CZ 4.15Å; E356-F438 HydrophobicContact CG-CE1 4.04Å; E356-F438 HydrophobicContact CG-CZ 4.42Å
357W91.4Very high89.8Confident0 Ų08.6 Ų8.60%05%0.048CC..Hα-helixtrans-57.7-31.2-177.879.2-95.1000112.1D355 G361 L403 F438 A442 V445 T489 I508 V512D355-W357 PolarHBondContact O-N 2.76Å; D355-W357 VanDerWaalsContact O-N 3.15Å; W357-G361 WeakPolarHBondContact O-CA 3.45Å; W357-G361 PolarHBondContact O-N 3.46Å; W357-L403 HydrophobicContact CB-CB 3.96Å; W357-L403 HydrophobicContact CB-CD2 4.21Å; W357-L403 HydrophobicContact CB-CG 4.47Å; W357-L403 HydrophobicContact CD2-CB 4.37Å; W357-L403 HydrophobicContact CE3-CD1 4.27Å; W357-L403 HydrophobicContact CG-CB 3.94Å; W357-F438 HydrophobicContact CB-CE1 4.16Å; W357-F438 HydrophobicContact CB-CE2 4.07Å; W357-F438 HydrophobicContact CB-CZ 3.6Å; W357-A442 HydrophobicContact CB-CB 4.36Å; W357-A442 WeakPolarHBondContact O-CB 3.42Å; W357-V445 HydrophobicContact CH2-CG1 4.47Å; W357-V445 HydrophobicContact CZ3-CG1 3.91Å; W357-T489 HydrophobicContact CZ2-CG2 3.88Å; W357-T489 PolarHBondContact NE1-OG1 2.81Å; W357-I508 HydrophobicContact CH2-CD1 4.02Å; W357-I508 HydrophobicContact CZ2-CD1 4.41Å; W357-V512 HydrophobicContact CD2-CG1 4.16Å; W357-V512 HydrophobicContact CH2-CG1 4.34Å; W357-V512 HydrophobicContact CH2-CG2 3.97Å; W357-V512 HydrophobicContact CZ2-CG1 3.64Å; W357-V512 HydrophobicContact CZ2-CG2 4.09Å; W357-V512 HydrophobicContact CZ3-CG2 4.32Å
358V93Very high90Very high1 Ų18.5 Ų8.51%0.0065%0.048CC..Hα-helixtrans-68.2-42.5177.5-175.30000110.6D355 E356 I362 L487 F492D355-V358 PolarHBondContact O-N 3.17Å; D355-V358 VanDerWaalsContact O-N 3.15Å; E356-V358 PolarHBondContact O-N 2.82Å; E356-V358 VanDerWaalsContact O-N 3.14Å; V358-I362 HydrophobicContact CG1-CD1 3.71Å; V358-I362 HydrophobicContact CG1-CG1 4.4Å; V358-I362 WeakPolarHBondContact O-CB 3.41Å; V358-I362 WeakPolarHBondContact O-CG1 3.26Å; V358-I362 PolarHBondContact O-N 3.04Å; V358-L487 HydrophobicContact CB-CD2 4.47Å; V358-L487 HydrophobicContact CG1-CD2 3.56Å; V358-L487 HydrophobicContact CG1-CG 4.28Å; V358-F492 HydrophobicContact CG1-CB 4.19Å; V358-F492 HydrophobicContact CG1-CD1 3.65Å; V358-F492 HydrophobicContact CG1-CD2 3.99Å; V358-F492 HydrophobicContact CG1-CE1 3.91Å; V358-F492 HydrophobicContact CG1-CE2 4.25Å; V358-F492 HydrophobicContact CG1-CG 3.69Å; V358-F492 HydrophobicContact CG1-CZ 4.19Å; V358-F492 HydrophobicContact CG2-CD1 4.19Å
359L91.9Very high90.1Very high3 Ų38.8 Ų8.82%0.0165%0.049CC..Hα-helixtrans-71.8-44.7-179-58.2178.4000111.8I348 R350 E356 G361 S363 L487I348-L359 HydrophobicContact CG2-CD2 3.99Å; R350-L359 HydrophobicContact CB-CD1 3.81Å; R350-L359 HydrophobicContact CG-CD1 4.37Å; E356-L359 PolarHBondContact O-N 3.38Å; L359-G361 VanDerWaalsContact C-N 3.34Å; L359-S363 WeakPolarHBondContact O-CB 3.29Å; L359-S363 PolarHBondContact O-N 3.21Å; L359-S363 PolarHBondContact O-OG 3.28Å; L359-L487 HydrophobicContact CD2-CD2 4.23Å
360K91.3Very high90.3Very high32 Ų329 Ų914%0.1395%0.05CC..Hα-helixtrans-70.5-30.2175.4-63.4-53.4-175.6-162.10112.7E356 S363 G364 F435 Q439E356-K360 HydrophobicContact CG-CG 4.09Å; E356-K360 PolarHBondContact O-N 2.95Å; E356-K360 WeakPolarHBondContact OE1-CE 3.43Å; E356-K360 WeakPolarHBondContact OE1-CG 3.19Å; E356-K360 IonicContact OE1-NZ 3.47Å; K360-S363 WeakPolarHBondContact CA-OG 3.43Å; K360-S363 PolarHBondContact O-OG 2.91Å; K360-G364 WeakPolarHBondContact O-CA 3.45Å; K360-G364 PolarHBondContact O-N 2.88Å; K360-F435 HydrophobicContact CG-CZ 4.47Å; K360-Q439 HydrophobicContact CB-CG 4.36Å; K360-Q439 HydrophobicContact CG-CG 4.44Å
361G93.6Very high90.4Very high0 Ų09.6 Ų9.60%05%0.053CC..Hα-helixtrans-65.6-53.7170.400000112.4W357 L359 G364 Y365 M446W357-G361 WeakPolarHBondContact O-CA 3.45Å; W357-G361 PolarHBondContact O-N 3.46Å; L359-G361 VanDerWaalsContact C-N 3.34Å; G361-G364 CarbonylContact O-C 3.58Å; G361-G364 PolarHBondContact O-N 3.44Å; G361-Y365 WeakPolarHBondContact O-CB 3.4Å; G361-Y365 PolarHBondContact O-N 3.14Å; G361-M446 VanDerWaalsContact C-CG 3.5Å
362I94.1Very high90.8Very high0 Ų011.4 Ų11.40%06%0.06CC..Hα-helixtrans-63.8-48.5-178.6-65.8167.2000111.1F344 V358 G364 Y365 I366 M446 F462 L487 F492F344-I362 HydrophobicContact CB-CG2 4.3Å; F344-I362 HydrophobicContact CD1-CB 4.2Å; F344-I362 HydrophobicContact CD1-CD1 4.17Å; F344-I362 HydrophobicContact CD1-CG2 3.58Å; F344-I362 HydrophobicContact CD2-CG2 3.73Å; F344-I362 HydrophobicContact CE1-CD1 4.37Å; F344-I362 HydrophobicContact CE1-CG2 3.72Å; F344-I362 HydrophobicContact CE2-CG2 3.89Å; F344-I362 HydrophobicContact CG-CB 4.24Å; F344-I362 HydrophobicContact CG-CG2 3.58Å; F344-I362 HydrophobicContact CZ-CG2 3.88Å; V358-I362 HydrophobicContact CG1-CD1 3.71Å; V358-I362 HydrophobicContact CG1-CG1 4.4Å; V358-I362 WeakPolarHBondContact O-CB 3.41Å; V358-I362 WeakPolarHBondContact O-CG1 3.26Å; V358-I362 PolarHBondContact O-N 3.04Å; I362-G364 VanDerWaalsContact C-N 3.28Å; I362-G364 PolarHBondContact O-N 2.77Å; I362-Y365 PolarHBondContact O-N 3.07Å; I362-I366 HydrophobicContact CG2-CD1 3.57Å; I362-I366 HydrophobicContact CG2-CG1 4.35Å; I362-I366 WeakPolarHBondContact O-CG1 3.38Å; I362-I366 PolarHBondContact O-N 3.45Å; I362-M446 HydrophobicContact CG1-CE 3.67Å; I362-M446 HydrophobicContact CG1-SD 4.15Å; I362-F462 HydrophobicContact CB-CE1 4.41Å; I362-F462 HydrophobicContact CD1-CD1 4.4Å; I362-F462 HydrophobicContact CD1-CE1 4.01Å; I362-F462 HydrophobicContact CG1-CE1 3.74Å; I362-F462 HydrophobicContact CG1-CZ 4.2Å; I362-F462 HydrophobicContact CG2-CD1 4.17Å; I362-F462 HydrophobicContact CG2-CE1 3.84Å; I362-F462 HydrophobicContact CG2-CE2 4.35Å; I362-F462 HydrophobicContact CG2-CZ 3.93Å; I362-L487 HydrophobicContact CD1-CD2 4.33Å; I362-F492 HydrophobicContact CD1-CD2 4.4Å; I362-F492 HydrophobicContact CD1-CE2 3.76Å; I362-F492 HydrophobicContact CD1-CZ 4.07Å; I362-F492 HydrophobicContact CG1-CE2 4.45Å; I362-F492 HydrophobicContact CG1-CZ 4.32Å
363S93Very high91.1Very high3 Ų316.3 Ų16.32%0.0218%0.077CC..Hα-helixtrans-61.8-38176.155.50000111.8A340 L359 K360 Y367A340-S363 WeakPolarHBondContact CB-O 3.47Å; A340-S363 WeakPolarHBondContact O-CB 3.5Å; L359-S363 WeakPolarHBondContact O-CB 3.29Å; L359-S363 PolarHBondContact O-N 3.21Å; L359-S363 PolarHBondContact O-OG 3.28Å; K360-S363 WeakPolarHBondContact CA-OG 3.43Å; K360-S363 PolarHBondContact O-OG 2.91Å; S363-Y367 VanDerWaalsContact O-CD1 3.23Å; S363-Y367 WeakPolarHBondContact O-CD1 3.19Å; S363-Y367 PolarHBondContact O-N 3.49Å
364G92.6Very high91.2Very high4 Ų417.3 Ų17.34%0.0419%0.085CC..Hα-helixtrans-61.3-41.5172.400000114K360 G361 I362 G368 H443K360-G364 WeakPolarHBondContact O-CA 3.45Å; K360-G364 PolarHBondContact O-N 2.88Å; G361-G364 CarbonylContact O-C 3.58Å; G361-G364 PolarHBondContact O-N 3.44Å; I362-G364 VanDerWaalsContact C-N 3.28Å; I362-G364 PolarHBondContact O-N 2.77Å; G364-G368 PolarHBondContact O-N 2.96Å; G364-H443 PolarHBondContact O-CE1 3.02Å; G364-H443 PolarHBondContact O-ND1 3Å
365Y94.2Very high91.2Very high0 Ų017.2 Ų17.20%08%0.081CC..Hα-helixtrans-70.1-44.9178.9176.1-104.6000111.6G361 I362 G368 L369 E450 M458 F462G361-Y365 WeakPolarHBondContact O-CB 3.4Å; G361-Y365 PolarHBondContact O-N 3.14Å; I362-Y365 PolarHBondContact O-N 3.07Å; Y365-G368 CarbonylContact O-C 3.51Å; Y365-G368 WeakPolarHBondContact O-CA 3.5Å; Y365-G368 PolarHBondContact O-N 3.22Å; Y365-L369 HydrophobicContact CD1-CD1 4.28Å; Y365-L369 HydrophobicContact CE1-CD1 3.67Å; Y365-L369 HydrophobicContact CE1-CG 4.17Å; Y365-L369 HydrophobicContact CE2-CD2 4.33Å; Y365-L369 PolarHBondContact O-N 2.66Å; Y365-E450 HydrophobicContact CE2-CB 4.42Å; Y365-E450 HydrophobicContact CE2-CG 4.5Å; Y365-E450 WeakPolarHBondContact CE2-OE2 3.49Å; Y365-E450 PolarHBondContact OH-OE1 2.86Å; Y365-M458 HydrophobicContact CD1-SD 3.96Å; Y365-M458 HydrophobicContact CE1-CG 4.35Å; Y365-M458 HydrophobicContact CE1-SD 3.54Å; Y365-M458 VanDerWaalsContact CE1-SD 3.54Å; Y365-M458 HydrophobicContact CE2-SD 4.43Å; Y365-F462 AromaticContact CD1-CE2 3.79Å; Y365-F462 HydrophobicContact CD1-CE2 3.79Å; Y365-F462 AromaticContact CD1-CZ 3.99Å; Y365-F462 HydrophobicContact CD1-CZ 3.99Å; Y365-F462 AromaticContact CE1-CE2 3.94Å; Y365-F462 HydrophobicContact CE1-CE2 3.94Å; Y365-F462 HydrophobicContact CE1-CZ 4.34Å
366I93.3Very high91.3Very high1 Ų117.3 Ų17.31%0.0058%0.084CC..Hα-helixtrans-62.6-46.9-179.3-68.8164.2000111.9Y280 L284 A340 F344 I362 G368 L369 Y370 F462Y280-I366 HydrophobicContact CD1-CG2 3.81Å; Y280-I366 HydrophobicContact CE1-CG2 3.47Å; Y280-I366 VanDerWaalsContact CE1-CG2 3.47Å; Y280-I366 HydrophobicContact CE2-CG2 4.21Å; Y280-I366 HydrophobicContact CG-CG2 4.34Å; L284-I366 HydrophobicContact CD2-CD1 3.96Å; A340-I366 HydrophobicContact CB-CB 4.49Å; A340-I366 HydrophobicContact CB-CG2 4.35Å; F344-I366 HydrophobicContact CD2-CD1 3.58Å; F344-I366 HydrophobicContact CE2-CD1 3.31Å; F344-I366 HydrophobicContact CZ-CD1 4.18Å; I362-I366 HydrophobicContact CG2-CD1 3.57Å; I362-I366 HydrophobicContact CG2-CG1 4.35Å; I362-I366 WeakPolarHBondContact O-CG1 3.38Å; I362-I366 PolarHBondContact O-N 3.45Å; I366-G368 PolarHBondContact O-N 2.67Å; I366-L369 PolarHBondContact O-N 3.01Å; I366-Y370 PolarHBondContact O-N 3.15Å; I366-F462 HydrophobicContact CG1-CE2 4.34Å
367Y92.7Very high91.3Very high14 Ų1419.2 Ų19.26%0.05510%0.096CC..Hα-helixtrans-66.7-28.3174.787-115.1000111.4Y280 R333 Q337 S363 Y370 L371 W383Y280-Y367 WeakPolarHBondContact OH-CA 3.34Å; Y280-Y367 WeakPolarHBondContact OH-CB 3.27Å; R333-Y367 HydrophobicContact CG-CE2 4.41Å; R333-Y367 PolarHBondContact NH2-OH 3.05Å; Q337-Y367 HydrophobicContact CB-CD1 4.04Å; Q337-Y367 HydrophobicContact CB-CE1 4.29Å; Q337-Y367 HydrophobicContact CB-CG 4.45Å; Q337-Y367 HydrophobicContact CG-CD1 4.08Å; Q337-Y367 HydrophobicContact CG-CE1 3.98Å; S363-Y367 VanDerWaalsContact O-CD1 3.23Å; S363-Y367 WeakPolarHBondContact O-CD1 3.19Å; S363-Y367 PolarHBondContact O-N 3.49Å; Y367-Y370 WeakPolarHBondContact O-CB 3.46Å; Y367-Y370 PolarHBondContact O-N 3.14Å; Y367-L371 HydrophobicContact CD2-CD1 3.83Å; Y367-L371 HydrophobicContact CD2-CG 4.27Å; Y367-L371 HydrophobicContact CE2-CD1 3.87Å; Y367-L371 WeakPolarHBondContact O-CG 3.35Å; Y367-L371 PolarHBondContact O-N 3.39Å; Y367-W383 HydrophobicContact CD2-CH2 4.28Å; Y367-W383 AromaticContact CE2-CH2 3.46Å; Y367-W383 HydrophobicContact CE2-CH2 3.46Å; Y367-W383 VanDerWaalsContact CE2-CH2 3.46Å; Y367-W383 AromaticContact CE2-CZ2 3.79Å; Y367-W383 HydrophobicContact CE2-CZ2 3.79Å; Y367-W383 HydrophobicContact CE2-CZ3 4.18Å; Y367-W383 AromaticContact CZ-CH2 3.88Å; Y367-W383 AromaticContact CZ-CZ2 3.98Å; Y367-W383 WeakPolarHBondContact OH-CZ2 3.36Å
368G91.8Very high91.3Very high0 Ų020 Ų200%010%0.1CC..Hα-helixtrans-62.8-39.5171.600000113.7G364 Y365 I366 Y370 L371 K372 Y380G364-G368 PolarHBondContact O-N 2.96Å; Y365-G368 CarbonylContact O-C 3.51Å; Y365-G368 WeakPolarHBondContact O-CA 3.5Å; Y365-G368 PolarHBondContact O-N 3.22Å; I366-G368 PolarHBondContact O-N 2.67Å; G368-Y370 VanDerWaalsContact C-N 3.33Å; G368-Y370 PolarHBondContact O-N 3.15Å; G368-L371 PolarHBondContact O-N 3.03Å; G368-K372 WeakPolarHBondContact O-CB 3.42Å; G368-K372 PolarHBondContact O-N 3.42Å; G368-Y380 WeakPolarHBondContact O-CD2 3.39Å; G368-Y380 WeakPolarHBondContact O-CE2 3.33Å
369L92.4Very high91.1Very high11 Ų1121.6 Ų21.66%0.05811%0.108CC..Hα-helixtrans-62.9-38.6172.1-65.3179.6000111.7F279 I283 Y365 I366 K372 K373 M455F279-L369 HydrophobicContact CE1-CB 4.4Å; F279-L369 HydrophobicContact CZ-CB 4.28Å; F279-L369 WeakPolarHBondContact CZ-O 3.49Å; I283-L369 HydrophobicContact CD1-CB 4.19Å; I283-L369 HydrophobicContact CD1-CD1 4.14Å; I283-L369 HydrophobicContact CG2-CD1 4.43Å; Y365-L369 HydrophobicContact CD1-CD1 4.28Å; Y365-L369 HydrophobicContact CE1-CD1 3.67Å; Y365-L369 HydrophobicContact CE1-CG 4.17Å; Y365-L369 HydrophobicContact CE2-CD2 4.33Å; Y365-L369 PolarHBondContact O-N 2.66Å; I366-L369 PolarHBondContact O-N 3.01Å; L369-K372 WeakPolarHBondContact O-CB 3.44Å; L369-K372 PolarHBondContact O-N 2.81Å; L369-K373 PolarHBondContact O-N 2.95Å; L369-M455 HydrophobicContact CD2-SD 4.46Å
370Y92.4Very high91.1Very high3 Ų322.1 Ų22.11%0.01211%0.11CC..Hα-helixtrans-63-46.8173.1176.1-101.3000111.3I276 F279 R332 A336 I366 Y367 G368 K372 K373 T374I276-Y370 HydrophobicContact CB-CE2 4.44Å; I276-Y370 HydrophobicContact CD1-CE1 4.5Å; I276-Y370 HydrophobicContact CG1-CD2 4.47Å; I276-Y370 HydrophobicContact CG1-CE1 4.15Å; I276-Y370 HydrophobicContact CG1-CE2 3.74Å; F279-Y370 AromaticContact CD1-CD2 3.71Å; F279-Y370 HydrophobicContact CD1-CD2 3.71Å; F279-Y370 HydrophobicContact CD1-CG 4.29Å; F279-Y370 HydrophobicContact CE1-CD2 4.14Å; F279-Y370 HydrophobicContact CE1-CG 4.37Å; F279-Y370 VanDerWaalsContact CE1-N 3.35Å; F279-Y370 HydrophobicContact CG-CD2 4.22Å; R332-Y370 PolarHBondContact NH1-OH 2.82Å; A336-Y370 HydrophobicContact CB-CD1 3.56Å; A336-Y370 HydrophobicContact CB-CE1 3.98Å; A336-Y370 HydrophobicContact CB-CG 4.25Å; I366-Y370 PolarHBondContact O-N 3.15Å; Y367-Y370 WeakPolarHBondContact O-CB 3.46Å; Y367-Y370 PolarHBondContact O-N 3.14Å; G368-Y370 VanDerWaalsContact C-N 3.33Å; G368-Y370 PolarHBondContact O-N 3.15Å; Y370-K372 VanDerWaalsContact C-N 3.3Å; Y370-K372 PolarHBondContact O-N 3.45Å; Y370-K373 PolarHBondContact O-N 3.15Å; Y370-K373 VanDerWaalsContact O-N 3.12Å; Y370-T374 HydrophobicContact CE1-CG2 4.49Å; Y370-T374 WeakPolarHBondContact CE2-OG1 3.39Å; Y370-T374 WeakPolarHBondContact O-CB 3.44Å; Y370-T374 PolarHBondContact O-N 3.46Å; Y370-T374 PolarHBondContact O-OG1 3.05Å
371L90Very high91.1Very high14 Ų1422.7 Ų22.77%0.07311%0.111CC..Hα-helixtrans-58.6-41.9175.5-64.2179.3000111.9R333 Y367 G368 K373 F375 W383R333-L371 HydrophobicContact CB-CD2 4.19Å; R333-L371 HydrophobicContact CG-CD1 4.29Å; R333-L371 HydrophobicContact CG-CD2 4.37Å; Y367-L371 HydrophobicContact CD2-CD1 3.83Å; Y367-L371 HydrophobicContact CD2-CG 4.27Å; Y367-L371 HydrophobicContact CE2-CD1 3.87Å; Y367-L371 WeakPolarHBondContact O-CG 3.35Å; Y367-L371 PolarHBondContact O-N 3.39Å; G368-L371 PolarHBondContact O-N 3.03Å; L371-K373 VanDerWaalsContact C-N 3.35Å; L371-K373 PolarHBondContact O-N 2.86Å; L371-F375 HydrophobicContact CB-CD2 4.45Å; L371-F375 HydrophobicContact CD2-CD2 3.61Å; L371-F375 HydrophobicContact CD2-CE2 3.56Å; L371-F375 PolarHBondContact O-N 3.43Å; L371-W383 HydrophobicContact CD1-CD2 4.24Å; L371-W383 HydrophobicContact CD1-CE3 3.72Å; L371-W383 HydrophobicContact CD1-CH2 4.34Å; L371-W383 HydrophobicContact CD1-CZ3 3.77Å
372K91.4Very high91Very high63 Ų6322.9 Ų22.927%0.27411%0.112SC..Hα-helixtrans-59.8-39.5175-173.2-173.2174.8-171.70112.6G368 L369 Y370 G376 V377 Y380G368-K372 WeakPolarHBondContact O-CB 3.42Å; G368-K372 PolarHBondContact O-N 3.42Å; L369-K372 WeakPolarHBondContact O-CB 3.44Å; L369-K372 PolarHBondContact O-N 2.81Å; Y370-K372 VanDerWaalsContact C-N 3.3Å; Y370-K372 PolarHBondContact O-N 3.45Å; K372-G376 CarbonylContact O-C 3.58Å; K372-G376 VanDerWaalsContact O-C 3.32Å; K372-G376 WeakPolarHBondContact O-CA 3.27Å; K372-G376 PolarHBondContact O-N 3.17Å; K372-V377 HydrophobicContact CG-CG2 4.14Å; K372-Y380 HydrophobicContact CB-CD1 3.86Å; K372-Y380 HydrophobicContact CB-CD2 4.11Å; K372-Y380 HydrophobicContact CB-CE1 4.38Å; K372-Y380 HydrophobicContact CB-CG 3.72Å; K372-Y380 HydrophobicContact CD-CD1 4Å; K372-Y380 HydrophobicContact CD-CE1 4.07Å; K372-Y380 HydrophobicContact CG-CD1 3.8Å; K372-Y380 HydrophobicContact CG-CE1 4.35Å; K372-Y380 HydrophobicContact CG-CG 4.12Å
373K89.9Confident90.9Very high140 Ų14023.5 Ų23.561%0.60911%0.114SC*.Hα-helixtrans-79.2-40.5-179.8-174.765.3173.5-176.50113.2F279 L369 Y370 L371F279-K373 HydrophobicContact CD2-CG 4.26Å; F279-K373 HydrophobicContact CE2-CB 3.69Å; F279-K373 HydrophobicContact CE2-CG 3.7Å; F279-K373 HydrophobicContact CZ-CB 3.87Å; F279-K373 HydrophobicContact CZ-CG 4.39Å; L369-K373 PolarHBondContact O-N 2.95Å; Y370-K373 PolarHBondContact O-N 3.15Å; Y370-K373 VanDerWaalsContact O-N 3.12Å; L371-K373 VanDerWaalsContact C-N 3.35Å; L371-K373 PolarHBondContact O-N 2.86Å
374T87.3Confident90.8Very high39 Ų3923.5 Ų23.524%0.23911%0.114CC..Hα-helixtrans-88-37.7-171.9-570000113.8Y370Y370-T374 HydrophobicContact CE1-CG2 4.49Å; Y370-T374 WeakPolarHBondContact CE2-OG1 3.39Å; Y370-T374 WeakPolarHBondContact O-CB 3.44Å; Y370-T374 PolarHBondContact O-N 3.46Å; Y370-T374 PolarHBondContact O-OG1 3.05Å
375F83.8Confident90.8Very high18 Ų1824 Ų248%0.07912%0.115CC..THydrogen-bonded Turntrans-106.6-6.5179.4-56.2-74.7000113P329 R332 L371 E379 F1100P329-F375 HydrophobicContact CB-CE1 3.81Å; P329-F375 HydrophobicContact CB-CZ 3.97Å; R332-F375 HydrophobicContact CB-CE2 4.43Å; R332-F375 HydrophobicContact CB-CZ 3.96Å; R332-F375 HydrophobicContact CG-CZ 4.49Å; L371-F375 HydrophobicContact CB-CD2 4.45Å; L371-F375 HydrophobicContact CD2-CD2 3.61Å; L371-F375 HydrophobicContact CD2-CE2 3.56Å; L371-F375 PolarHBondContact O-N 3.43Å; F375-E379 HydrophobicContact CB-CB 4.22Å; F375-E379 HydrophobicContact CB-CG 4.36Å; F375-F1100 HydrophobicContact CD1-CD2 4.47Å; F375-F1100 HydrophobicContact CD1-CE2 4.11Å; F375-F1100 HydrophobicContact CE1-CE2 4.34Å
376G88.4Confident90.6Very high11 Ų1127.5 Ų27.511%0.11313%0.131CC..  trans89.8159.4173.900000114.2K372 N378 E379 Y380K372-G376 CarbonylContact O-C 3.58Å; K372-G376 VanDerWaalsContact O-C 3.32Å; K372-G376 WeakPolarHBondContact O-CA 3.27Å; K372-G376 PolarHBondContact O-N 3.17Å; G376-N378 PolarHBondContact O-N 3.45Å; G376-N378 VanDerWaalsContact O-N 3.16Å; G376-E379 PolarHBondContact O-N 2.9Å; G376-Y380 PolarHBondContact O-N 3.39Å
377V89.6Confident90.5Very high47 Ų4727.9 Ų27.929%0.28513%0.133SC..Hα-helixtrans-58.3-33.3-172.8-175.40000113K372 Y380 R381K372-V377 HydrophobicContact CG-CG2 4.14Å; V377-Y380 PolarHBondContact O-N 2.73Å; V377-R381 HydrophobicContact CG1-CG 4.29Å; V377-R381 WeakPolarHBondContact O-CB 3.45Å; V377-R381 WeakPolarHBondContact O-CG 3.42Å; V377-R381 PolarHBondContact O-N 3.24Å
378N90.1Very high90.5Very high16 Ų1627.8 Ų27.89%0.08613%0.133CC..Hα-helixtrans-70.6-39.5-178.1-73.8-34.1000113G376 H382 V648 F680G376-N378 PolarHBondContact O-N 3.45Å; G376-N378 VanDerWaalsContact O-N 3.16Å; N378-H382 WeakPolarHBondContact O-CB 3.49Å; N378-H382 PolarHBondContact O-N 3.09Å; N378-H382 VanDerWaalsContact O-N 3.1Å; N378-V648 HydrophobicContact CB-CG2 3.92Å; N378-F680 HydrophobicContact CB-CD2 4.14Å; N378-F680 HydrophobicContact CB-CE2 4.39Å; N378-F680 HydrophobicContact CB-CG 4.46Å
379E88.9Confident90.5Very high35 Ų3531.6 Ų31.616%0.16415%0.154CC..Hα-helixtrans-71.3-36.3174.8-170.9159.9134.200111.2F375 G376 H382 W383 F680 Y681F375-E379 HydrophobicContact CB-CB 4.22Å; F375-E379 HydrophobicContact CB-CG 4.36Å; G376-E379 PolarHBondContact O-N 2.9Å; E379-H382 PolarHBondContact O-N 3.43Å; E379-W383 WeakPolarHBondContact O-CB 3.29Å; E379-W383 PolarHBondContact O-N 3.17Å; E379-F680 HydrophobicContact CB-CE2 4.15Å; E379-F680 HydrophobicContact CB-CZ 3.8Å; E379-F680 HydrophobicContact CG-CZ 4.14Å; E379-Y681 VanDerWaalsContact CD-OH 3.32Å; E379-Y681 WeakPolarHBondContact OE2-CE1 3.49Å; E379-Y681 PolarHBondContact OE2-OH 3.21Å
380Y91.6Very high90.4Very high14 Ų1434.1 Ų34.16%0.05517%0.165CC..Hα-helixtrans-65.1-45.6173.6175.7-109000113.2G368 K372 G376 V377 H382 W383 I384G368-Y380 WeakPolarHBondContact O-CD2 3.39Å; G368-Y380 WeakPolarHBondContact O-CE2 3.33Å; K372-Y380 HydrophobicContact CB-CD1 3.86Å; K372-Y380 HydrophobicContact CB-CD2 4.11Å; K372-Y380 HydrophobicContact CB-CE1 4.38Å; K372-Y380 HydrophobicContact CB-CG 3.72Å; K372-Y380 HydrophobicContact CD-CD1 4Å; K372-Y380 HydrophobicContact CD-CE1 4.07Å; K372-Y380 HydrophobicContact CG-CD1 3.8Å; K372-Y380 HydrophobicContact CG-CE1 4.35Å; K372-Y380 HydrophobicContact CG-CG 4.12Å; G376-Y380 PolarHBondContact O-N 3.39Å; V377-Y380 PolarHBondContact O-N 2.73Å; Y380-H382 VanDerWaalsContact C-N 3.31Å; Y380-H382 PolarHBondContact O-N 3.18Å; Y380-W383 AromaticContact CD2-CE3 3.84Å; Y380-W383 HydrophobicContact CD2-CE3 3.84Å; Y380-W383 AromaticContact CD2-CZ3 3.98Å; Y380-W383 HydrophobicContact CD2-CZ3 3.98Å; Y380-W383 HydrophobicContact CE2-CE3 4.11Å; Y380-W383 AromaticContact CE2-CZ3 3.84Å; Y380-W383 HydrophobicContact CE2-CZ3 3.84Å; Y380-W383 PolarHBondContact O-N 3.41Å; Y380-I384 HydrophobicContact CD1-CD1 3.81Å; Y380-I384 HydrophobicContact CD2-CD1 4.44Å; Y380-I384 HydrophobicContact CE1-CD1 3.38Å; Y380-I384 HydrophobicContact CE1-CG1 4.42Å; Y380-I384 HydrophobicContact CE2-CD1 4.05Å; Y380-I384 HydrophobicContact CE2-CG1 4.24Å; Y380-I384 HydrophobicContact CG-CD1 4.32Å; Y380-I384 VanDerWaalsContact CZ-CD1 3.5Å; Y380-I384 WeakPolarHBondContact O-CG1 3.36Å; Y380-I384 PolarHBondContact O-N 2.85Å
381R91.4Very high90.4Very high43 Ų4334 Ų3416%0.16217%0.165CC..Hα-helixtrans-59.4-42.4174-80.1-179.473.585.64.1111.5V377 K385 P621 D647 V649V377-R381 HydrophobicContact CG1-CG 4.29Å; V377-R381 WeakPolarHBondContact O-CB 3.45Å; V377-R381 WeakPolarHBondContact O-CG 3.42Å; V377-R381 PolarHBondContact O-N 3.24Å; R381-K385 PolarHBondContact O-N 3.47Å; R381-P621 PolarHBondContact NH2-O 2.78Å; R381-D647 IonicContact CZ-OD1 2.92Å; R381-D647 IonicContact CZ-OD2 2.79Å; R381-D647 IonicContact NE-OD1 3.18Å; R381-D647 PolarHBondContact NE-OD1 3.45Å; R381-D647 IonicContact NH2-OD1 2.89Å; R381-D647 PolarHBondContact NH2-OD1 3.17Å; R381-D647 IonicContact NH2-OD2 3.23Å; R381-D647 PolarHBondContact NH2-OD2 2.88Å; R381-V649 HydrophobicContact CB-CG2 4.16Å
382H91.3Very high90.4Very high5 Ų533.7 Ų33.72%0.02316%0.163CC..Hα-helixtrans-63.6-46.1175.2172.790.6000112N378 E379 Y380 I384 K385 E386 V648 E652 F680 K682N378-H382 WeakPolarHBondContact O-CB 3.49Å; N378-H382 PolarHBondContact O-N 3.09Å; N378-H382 VanDerWaalsContact O-N 3.1Å; E379-H382 PolarHBondContact O-N 3.43Å; Y380-H382 VanDerWaalsContact C-N 3.31Å; Y380-H382 PolarHBondContact O-N 3.18Å; H382-I384 PolarHBondContact O-N 3.49Å; H382-K385 WeakPolarHBondContact O-CA 3.2Å; H382-K385 VanDerWaalsContact O-CB 3.31Å; H382-K385 WeakPolarHBondContact O-CB 3.41Å; H382-K385 PolarHBondContact O-N 2.83Å; H382-E386 VanDerWaalsContact CD2-CD 3.48Å; H382-E386 IonicContact CD2-OE1 3.21Å; H382-E386 IonicContact CD2-OE2 3.18Å; H382-E386 PolarHBondContact CD2-OE2 3.24Å; H382-E386 VanDerWaalsContact NE2-CG 3.35Å; H382-E386 WeakPolarHBondContact NE2-CG 3.36Å; H382-E386 IonicContact NE2-OE1 3.47Å; H382-E386 PolarHBondContact NE2-OE1 2.67Å; H382-E386 IonicContact NE2-OE2 3.46Å; H382-E386 PolarHBondContact NE2-OE2 3Å; H382-E386 PolarHBondContact O-N 3.47Å; H382-V648 HydrophobicContact CB-CG1 4.03Å; H382-E652 IonicContact CE1-OE1 2.92Å; H382-E652 PolarHBondContact CE1-OE1 2.83Å; H382-E652 IonicContact CE1-OE2 3.99Å; H382-E652 IonicContact CG-OE1 2.87Å; H382-E652 VanDerWaalsContact ND1-CD 3.29Å; H382-E652 IonicContact ND1-OE1 2.73Å; H382-E652 PolarHBondContact ND1-OE1 3.11Å; H382-E652 IonicContact ND1-OE2 3.21Å; H382-E652 PolarHBondContact ND1-OE2 3.19Å; H382-E652 VanDerWaalsContact ND1-OE2 3.09Å; H382-F680 HydrophobicContact CB-CE1 4.07Å; H382-K682 VanDerWaalsContact CD2-CD 3.44Å; H382-K682 WeakPolarHBondContact CD2-CD 3.35Å; H382-K682 PolarHBondContact CD2-NZ 3.22Å; H382-K682 VanDerWaalsContact CE1-CD 3.48Å; H382-K682 WeakPolarHBondContact CE1-CD 3.5Å; H382-K682 WeakPolarHBondContact NE2-CD 3.14Å; H382-K682 PolarHBondContact NE2-NZ 3.06Å
383W91.9Very high90.3Very high13 Ų1335.9 Ų35.95%0.04918%0.175CC..Hα-helixtrans-64-38.3178.4167.848.7000112.5R333 Y367 L371 E379 Y380 K385 E386 E387 H443R333-W383 VanDerWaalsContact NH1-CD1 3.27Å; Y367-W383 HydrophobicContact CD2-CH2 4.28Å; Y367-W383 AromaticContact CE2-CH2 3.46Å; Y367-W383 HydrophobicContact CE2-CH2 3.46Å; Y367-W383 VanDerWaalsContact CE2-CH2 3.46Å; Y367-W383 AromaticContact CE2-CZ2 3.79Å; Y367-W383 HydrophobicContact CE2-CZ2 3.79Å; Y367-W383 HydrophobicContact CE2-CZ3 4.18Å; Y367-W383 AromaticContact CZ-CH2 3.88Å; Y367-W383 AromaticContact CZ-CZ2 3.98Å; Y367-W383 WeakPolarHBondContact OH-CZ2 3.36Å; L371-W383 HydrophobicContact CD1-CD2 4.24Å; L371-W383 HydrophobicContact CD1-CE3 3.72Å; L371-W383 HydrophobicContact CD1-CH2 4.34Å; L371-W383 HydrophobicContact CD1-CZ3 3.77Å; E379-W383 WeakPolarHBondContact O-CB 3.29Å; E379-W383 PolarHBondContact O-N 3.17Å; Y380-W383 AromaticContact CD2-CE3 3.84Å; Y380-W383 HydrophobicContact CD2-CE3 3.84Å; Y380-W383 AromaticContact CD2-CZ3 3.98Å; Y380-W383 HydrophobicContact CD2-CZ3 3.98Å; Y380-W383 HydrophobicContact CE2-CE3 4.11Å; Y380-W383 AromaticContact CE2-CZ3 3.84Å; Y380-W383 HydrophobicContact CE2-CZ3 3.84Å; Y380-W383 PolarHBondContact O-N 3.41Å; W383-K385 PolarHBondContact O-N 3.1Å; W383-E386 WeakPolarHBondContact O-CB 3.14Å; W383-E386 PolarHBondContact O-N 3.46Å; W383-E386 VanDerWaalsContact O-N 3.15Å; W383-E387 VanDerWaalsContact CE2-OE1 3.28Å; W383-E387 VanDerWaalsContact CZ2-CD 3.44Å; W383-E387 HydrophobicContact CZ2-CG 4.1Å; W383-E387 VanDerWaalsContact CZ2-OE1 3.24Å; W383-E387 WeakPolarHBondContact CZ2-OE1 3.06Å; W383-E387 PolarHBondContact NE1-OE1 2.79Å; W383-E387 VanDerWaalsContact O-CG 3.32Å; W383-E387 WeakPolarHBondContact O-CG 3.5Å; W383-E387 PolarHBondContact O-N 3.19Å; W383-H443 AromaticContact CH2-CE1 3.48Å; W383-H443 VanDerWaalsContact CH2-CE1 3.48Å; W383-H443 WeakPolarHBondContact CH2-CE1 3.42Å; W383-H443 AromaticContact CH2-ND1 3.88Å; W383-H443 AromaticContact CH2-NE2 3.73Å; W383-H443 AromaticContact CZ3-CE1 3.81Å; W383-H443 AromaticContact CZ3-NE2 3.99Å
384I92.4Very high90.2Very high2 Ų230.3 Ų30.31%0.0115%0.15CC..Hα-helixtrans-55.1-41.7170.7-70.5159.5000110.9Y380 H382 E387 L388 L444 M623Y380-I384 HydrophobicContact CD1-CD1 3.81Å; Y380-I384 HydrophobicContact CD2-CD1 4.44Å; Y380-I384 HydrophobicContact CE1-CD1 3.38Å; Y380-I384 HydrophobicContact CE1-CG1 4.42Å; Y380-I384 HydrophobicContact CE2-CD1 4.05Å; Y380-I384 HydrophobicContact CE2-CG1 4.24Å; Y380-I384 HydrophobicContact CG-CD1 4.32Å; Y380-I384 VanDerWaalsContact CZ-CD1 3.5Å; Y380-I384 WeakPolarHBondContact O-CG1 3.36Å; Y380-I384 PolarHBondContact O-N 2.85Å; H382-I384 PolarHBondContact O-N 3.49Å; I384-E387 PolarHBondContact O-N 3.19Å; I384-L388 WeakPolarHBondContact O-CB 3.24Å; I384-L388 PolarHBondContact O-N 2.93Å; I384-L444 HydrophobicContact CG2-CD2 3.85Å; I384-M623 HydrophobicContact CB-CE 3.96Å; I384-M623 HydrophobicContact CD1-CE 4.49Å; I384-M623 HydrophobicContact CG2-CE 3.56Å; I384-M623 HydrophobicContact CG2-SD 3.97Å
385K91.4Very high90.2Very high16 Ų1628.5 Ų28.57%0.0714%0.139CC..Hα-helixtrans-66.6-44.9176.2-169.2-171175.6-177.40111.8R381 H382 W383 E387 L388 D389 M623 V649 E652R381-K385 PolarHBondContact O-N 3.47Å; H382-K385 WeakPolarHBondContact O-CA 3.2Å; H382-K385 VanDerWaalsContact O-CB 3.31Å; H382-K385 WeakPolarHBondContact O-CB 3.41Å; H382-K385 PolarHBondContact O-N 2.83Å; W383-K385 PolarHBondContact O-N 3.1Å; K385-E387 PolarHBondContact O-N 3.43Å; K385-L388 PolarHBondContact O-N 3.37Å; K385-L388 VanDerWaalsContact O-N 3.16Å; K385-D389 WeakPolarHBondContact CE-OD2 3.35Å; K385-D389 WeakPolarHBondContact O-CB 3.47Å; K385-D389 PolarHBondContact O-N 3.19Å; K385-M623 HydrophobicContact CB-SD 4.3Å; K385-V649 HydrophobicContact CD-CG1 4.3Å; K385-E652 IonicContact NZ-OE2 3.91Å
386E91.4Very high90.3Very high72 Ų7229.7 Ų29.734%0.33615%0.146SC..Hα-helixtrans-55.2-37.8173.4-71.4177134.800111.9H382 W383 Q390 K682H382-E386 VanDerWaalsContact CD2-CD 3.48Å; H382-E386 IonicContact CD2-OE1 3.21Å; H382-E386 IonicContact CD2-OE2 3.18Å; H382-E386 PolarHBondContact CD2-OE2 3.24Å; H382-E386 VanDerWaalsContact NE2-CG 3.35Å; H382-E386 WeakPolarHBondContact NE2-CG 3.36Å; H382-E386 IonicContact NE2-OE1 3.47Å; H382-E386 PolarHBondContact NE2-OE1 2.67Å; H382-E386 IonicContact NE2-OE2 3.46Å; H382-E386 PolarHBondContact NE2-OE2 3Å; H382-E386 PolarHBondContact O-N 3.47Å; W383-E386 WeakPolarHBondContact O-CB 3.14Å; W383-E386 PolarHBondContact O-N 3.46Å; W383-E386 VanDerWaalsContact O-N 3.15Å; E386-Q390 WeakPolarHBondContact O-CB 3.36Å; E386-Q390 VanDerWaalsContact O-CG 3.31Å; E386-Q390 WeakPolarHBondContact O-CG 3.37Å; E386-Q390 PolarHBondContact O-N 3Å; E386-Q390 PolarHBondContact O-NE2 3.47Å; E386-K682 VanDerWaalsContact CD-NZ 3.3Å; E386-K682 IonicContact OE1-NZ 3Å; E386-K682 PolarHBondContact OE1-NZ 3.48Å; E386-K682 IonicContact OE2-NZ 2.71Å; E386-K682 PolarHBondContact OE2-NZ 2.82Å
387E91.2Very high90Very high10 Ų1036 Ų365%0.04717%0.17CC..Hα-helixtrans-73.4-41.9176.1-56.3-127.5139.900112.5R333 W383 I384 K385 Q390 I391 C440 H443R333-E387 IonicContact NH2-OE1 3.77Å; W383-E387 VanDerWaalsContact CE2-OE1 3.28Å; W383-E387 VanDerWaalsContact CZ2-CD 3.44Å; W383-E387 HydrophobicContact CZ2-CG 4.1Å; W383-E387 VanDerWaalsContact CZ2-OE1 3.24Å; W383-E387 WeakPolarHBondContact CZ2-OE1 3.06Å; W383-E387 PolarHBondContact NE1-OE1 2.79Å; W383-E387 VanDerWaalsContact O-CG 3.32Å; W383-E387 WeakPolarHBondContact O-CG 3.5Å; W383-E387 PolarHBondContact O-N 3.19Å; I384-E387 PolarHBondContact O-N 3.19Å; K385-E387 PolarHBondContact O-N 3.43Å; E387-Q390 PolarHBondContact O-N 3.41Å; E387-I391 WeakPolarHBondContact O-CD1 3.19Å; E387-I391 WeakPolarHBondContact O-CG1 2.94Å; E387-I391 PolarHBondContact O-N 3.07Å; E387-C440 HydrophobicContact CB-CB 4.3Å; E387-C440 PolarHBondContact OE1-SG 3.26Å; E387-C440 WeakPolarHBondContact OE2-CA 3.02Å; E387-C440 WeakPolarHBondContact OE2-CB 3.25Å; E387-C440 PolarHBondContact OE2-SG 3.13Å; E387-H443 IonicContact OE2-CD2 3.58Å
388L91.8Very high89.2Confident11 Ų1136.7 Ų36.76%0.05817%0.171CC..Hα-helixtrans-62.2-48.4177.9178.860.9000111.1I384 K385 Q390 I391 V392 L444 L626I384-L388 WeakPolarHBondContact O-CB 3.24Å; I384-L388 PolarHBondContact O-N 2.93Å; K385-L388 PolarHBondContact O-N 3.37Å; K385-L388 VanDerWaalsContact O-N 3.16Å; L388-Q390 VanDerWaalsContact C-N 3.33Å; L388-Q390 PolarHBondContact O-N 2.99Å; L388-I391 PolarHBondContact O-N 3.26Å; L388-V392 HydrophobicContact CD1-CG2 4.16Å; L388-V392 HydrophobicContact CG-CG2 4.3Å; L388-V392 WeakPolarHBondContact O-CB 3.43Å; L388-V392 WeakPolarHBondContact O-CG2 3.28Å; L388-V392 PolarHBondContact O-N 3.2Å; L388-L444 HydrophobicContact CB-CD1 4.19Å; L388-L444 HydrophobicContact CD1-CD1 4.26Å; L388-L626 HydrophobicContact CD1-CB 4.28Å; L388-L626 HydrophobicContact CD1-CD2 4.42Å
389D91.1Very high88.5Confident80 Ų8036.3 Ų36.343%0.42817%0.171SC..Hα-helixtrans-63.2-37.4178.9-76.2-31.2000111.6K385 V392 E393K385-D389 WeakPolarHBondContact CE-OD2 3.35Å; K385-D389 WeakPolarHBondContact O-CB 3.47Å; K385-D389 PolarHBondContact O-N 3.19Å; D389-V392 PolarHBondContact O-N 2.85Å; D389-E393 WeakPolarHBondContact O-CB 3.47Å; D389-E393 PolarHBondContact O-N 2.9Å
390Q90.9Very high88Confident65 Ų6535 Ų3530%0.30417%0.167SC..Hα-helixtrans-62.3-44.4172.9-83.6170.487.300112.8E386 E387 L388 E393 Y394 M437E386-Q390 WeakPolarHBondContact O-CB 3.36Å; E386-Q390 VanDerWaalsContact O-CG 3.31Å; E386-Q390 WeakPolarHBondContact O-CG 3.37Å; E386-Q390 PolarHBondContact O-N 3Å; E386-Q390 PolarHBondContact O-NE2 3.47Å; E387-Q390 PolarHBondContact O-N 3.41Å; L388-Q390 VanDerWaalsContact C-N 3.33Å; L388-Q390 PolarHBondContact O-N 2.99Å; Q390-E393 PolarHBondContact O-N 3.33Å; Q390-Y394 WeakPolarHBondContact O-CB 3.44Å; Q390-Y394 PolarHBondContact O-N 3.47Å; Q390-M437 HydrophobicContact CB-CE 4.13Å; Q390-M437 HydrophobicContact CB-SD 4.12Å
391I91.3Very high87.6Confident1 Ų134.4 Ų34.41%0.00516%0.164CC..Hα-helixtrans-68-40.8177.6-66.1158.3000110.6E387 L388 Y394 E395 M437 C440 K441 L444 V517E387-I391 WeakPolarHBondContact O-CD1 3.19Å; E387-I391 WeakPolarHBondContact O-CG1 2.94Å; E387-I391 PolarHBondContact O-N 3.07Å; L388-I391 PolarHBondContact O-N 3.26Å; I391-Y394 PolarHBondContact O-N 3.11Å; I391-E395 HydrophobicContact CG2-CG 4.06Å; I391-E395 WeakPolarHBondContact O-CB 3.18Å; I391-E395 WeakPolarHBondContact O-CG 3.33Å; I391-E395 PolarHBondContact O-N 3.47Å; I391-M437 HydrophobicContact CG1-SD 4.08Å; I391-C440 HydrophobicContact CD1-CB 3.75Å; I391-C440 HydrophobicContact CG1-CB 4.13Å; I391-K441 HydrophobicContact CD1-CB 4.1Å; I391-L444 HydrophobicContact CD1-CD1 3.58Å; I391-L444 HydrophobicContact CD1-CG 4.43Å; I391-V517 HydrophobicContact CG2-CG2 4.14Å
392V90.3Very high87.2Confident6 Ų632.5 Ų32.54%0.03616%0.158CC..Hα-helixtrans-58.6-47.4174.8170.30000110.7L388 D389 L396 V517 K628L388-V392 HydrophobicContact CD1-CG2 4.16Å; L388-V392 HydrophobicContact CG-CG2 4.3Å; L388-V392 WeakPolarHBondContact O-CB 3.43Å; L388-V392 WeakPolarHBondContact O-CG2 3.28Å; L388-V392 PolarHBondContact O-N 3.2Å; D389-V392 PolarHBondContact O-N 2.85Å; V392-L396 HydrophobicContact CG1-CD1 3.87Å; V392-L396 WeakPolarHBondContact O-CB 3.21Å; V392-L396 WeakPolarHBondContact O-CD1 3.5Å; V392-L396 WeakPolarHBondContact O-CG 3.43Å; V392-L396 PolarHBondContact O-N 3.27Å; V392-V517 HydrophobicContact CG2-CG1 3.79Å; V392-V517 HydrophobicContact CG2-CG2 4.34Å; V392-K628 HydrophobicContact CG1-CB 3.81Å; V392-K628 HydrophobicContact CG1-CD 3.78Å; V392-K628 HydrophobicContact CG1-CG 3.85Å; V392-K628 HydrophobicContact CG2-CB 4.46Å
393E89.4Confident86.8Confident110 Ų11032.4 Ų32.451%0.51416%0.157SC..Hα-helixtrans-65.9-40.7178.5-170.6179.5175.300112.1D389 Q390 K397D389-E393 WeakPolarHBondContact O-CB 3.47Å; D389-E393 PolarHBondContact O-N 2.9Å; Q390-E393 PolarHBondContact O-N 3.33Å; E393-K397 HydrophobicContact CG-CD 4.13Å; E393-K397 WeakPolarHBondContact O-CB 3.35Å; E393-K397 VanDerWaalsContact O-CG 3.26Å; E393-K397 WeakPolarHBondContact O-CG 2.98Å; E393-K397 PolarHBondContact O-N 3.46Å; E393-K397 WeakPolarHBondContact OE1-CE 3.14Å; E393-K397 IonicContact OE1-NZ 3.47Å; E393-K397 PolarHBondContact OE1-NZ 2.97Å
394Y88.1Confident85.8Confident23 Ų2333.6 Ų33.69%0.0916%0.163CC..Hα-helixtrans-69.9-51.2-179.7-173.4-92.4000112.8Q390 I391 L396 K397 M398 V401 E433 Y434 M437Q390-Y394 WeakPolarHBondContact O-CB 3.44Å; Q390-Y394 PolarHBondContact O-N 3.47Å; I391-Y394 PolarHBondContact O-N 3.11Å; Y394-L396 VanDerWaalsContact C-N 3.32Å; Y394-L396 PolarHBondContact O-N 3.38Å; Y394-K397 PolarHBondContact O-N 2.89Å; Y394-K397 VanDerWaalsContact O-N 3.11Å; Y394-M398 HydrophobicContact CD1-CB 4.48Å; Y394-M398 HydrophobicContact CD2-CG 4.34Å; Y394-M398 HydrophobicContact CE1-CB 4.08Å; Y394-M398 HydrophobicContact CE2-CB 4.26Å; Y394-M398 HydrophobicContact CE2-CG 3.97Å; Y394-M398 PolarHBondContact O-N 2.67Å; Y394-V401 HydrophobicContact CD1-CG2 3.9Å; Y394-V401 HydrophobicContact CE1-CG2 3.83Å; Y394-E433 HydrophobicContact CE2-CB 4.05Å; Y394-Y434 HydrophobicContact CE1-CD2 4.14Å; Y394-M437 HydrophobicContact CD1-CB 4.22Å; Y394-M437 HydrophobicContact CD1-CG 3.82Å; Y394-M437 HydrophobicContact CD2-CG 3.96Å; Y394-M437 HydrophobicContact CE1-CG 4.38Å; Y394-M437 HydrophobicContact CE2-CG 4.5Å; Y394-M437 HydrophobicContact CG-CB 4.47Å; Y394-M437 HydrophobicContact CG-CG 3.59Å; Y394-M437 HydrophobicContact CG-SD 4.35Å
395E87.2Confident84.5Confident0 Ų034 Ų340%017%0.166CC..Hα-helixtrans-65.9-35.2-175.7-66.9-160.4174.400111.9I391 K397 G399 V401 K441 G516 V517 G545I391-E395 HydrophobicContact CG2-CG 4.06Å; I391-E395 WeakPolarHBondContact O-CB 3.18Å; I391-E395 WeakPolarHBondContact O-CG 3.33Å; I391-E395 PolarHBondContact O-N 3.47Å; E395-K397 VanDerWaalsContact C-N 3.33Å; E395-K397 PolarHBondContact O-N 3.28Å; E395-G399 WeakPolarHBondContact CA-O 3.29Å; E395-G399 CarbonylContact O-C 3.52Å; E395-G399 WeakPolarHBondContact O-CA 3.28Å; E395-G399 PolarHBondContact O-N 3.1Å; E395-V401 VanDerWaalsContact CD-N 3.34Å; E395-V401 HydrophobicContact CG-CG2 4.26Å; E395-V401 WeakPolarHBondContact OE1-CB 3.27Å; E395-V401 PolarHBondContact OE1-N 2.91Å; E395-K441 WeakPolarHBondContact OE1-CD 3.47Å; E395-K441 IonicContact OE1-NZ 3.84Å; E395-K441 PolarHBondContact OE1-NZ 3.2Å; E395-K441 IonicContact OE2-NZ 2.85Å; E395-K441 PolarHBondContact OE2-NZ 3.48Å; E395-G516 WeakPolarHBondContact OE2-CA 3.36Å; E395-V517 HydrophobicContact CB-CG2 4.22Å; E395-V517 HydrophobicContact CG-CG2 4.47Å; E395-V517 PolarHBondContact OE2-N 3.19Å; E395-G545 WeakPolarHBondContact O-CA 3.39Å
396L85.4Confident83.1Confident44 Ų4437.3 Ų37.323%0.2319%0.188CC..Hα-helixtrans-66.5-31.4174.1-69.9174.3000113.2V392 Y394 S544 T546 K628V392-L396 HydrophobicContact CG1-CD1 3.87Å; V392-L396 WeakPolarHBondContact O-CB 3.21Å; V392-L396 WeakPolarHBondContact O-CD1 3.5Å; V392-L396 WeakPolarHBondContact O-CG 3.43Å; V392-L396 PolarHBondContact O-N 3.27Å; Y394-L396 VanDerWaalsContact C-N 3.32Å; Y394-L396 PolarHBondContact O-N 3.38Å; L396-S544 PolarHBondContact O-OG 3.06Å; L396-T546 HydrophobicContact CD2-CG2 3.68Å; L396-K628 HydrophobicContact CD1-CD 4.2Å
397K82.4Confident81.4Confident143 Ų14339 Ų3962%0.62219%0.194SC*.Hα-helixtrans-85.7-46-179.5-76177.4178.5179.30113.9E393 Y394 E395E393-K397 HydrophobicContact CG-CD 4.13Å; E393-K397 WeakPolarHBondContact O-CB 3.35Å; E393-K397 VanDerWaalsContact O-CG 3.26Å; E393-K397 WeakPolarHBondContact O-CG 2.98Å; E393-K397 PolarHBondContact O-N 3.46Å; E393-K397 WeakPolarHBondContact OE1-CE 3.14Å; E393-K397 IonicContact OE1-NZ 3.47Å; E393-K397 PolarHBondContact OE1-NZ 2.97Å; Y394-K397 PolarHBondContact O-N 2.89Å; Y394-K397 VanDerWaalsContact O-N 3.11Å; E395-K397 VanDerWaalsContact C-N 3.33Å; E395-K397 PolarHBondContact O-N 3.28Å
398M73.6Confident78.9Confident62 Ų6243.2 Ų43.231%0.30523%0.225SC..Hα-helixtrans-111.1-9.7-168.1-62.8-66.3-84.300113.5Y394Y394-M398 HydrophobicContact CD1-CB 4.48Å; Y394-M398 HydrophobicContact CD2-CG 4.34Å; Y394-M398 HydrophobicContact CE1-CB 4.08Å; Y394-M398 HydrophobicContact CE2-CB 4.26Å; Y394-M398 HydrophobicContact CE2-CG 3.97Å; Y394-M398 PolarHBondContact O-N 2.67Å
399G76.1Confident76.3Confident7 Ų746.6 Ų46.67%0.07226%0.263CS..  trans94.7164.8-171.300000112.9E395E395-G399 WeakPolarHBondContact CA-O 3.29Å; E395-G399 CarbonylContact O-C 3.52Å; E395-G399 WeakPolarHBondContact O-CA 3.28Å; E395-G399 PolarHBondContact O-N 3.1Å
400G77.5Confident73.7Confident8 Ų846.6 Ų46.68%0.08228%0.282CS..  trans-64.2143.6-170.400000115.1
401V82.9Confident71.2Confident1 Ų151.5 Ų51.51%0.00630%0.302CS..  trans-85133.8169.6-179.70000109.1Y394 E395 Y434 M437 F438 K441 S515Y394-V401 HydrophobicContact CD1-CG2 3.9Å; Y394-V401 HydrophobicContact CE1-CG2 3.83Å; E395-V401 VanDerWaalsContact CD-N 3.34Å; E395-V401 HydrophobicContact CG-CG2 4.26Å; E395-V401 WeakPolarHBondContact OE1-CB 3.27Å; E395-V401 PolarHBondContact OE1-N 2.91Å; V401-Y434 HydrophobicContact CB-CE2 4.33Å; V401-Y434 HydrophobicContact CG1-CE1 4.04Å; V401-Y434 HydrophobicContact CG1-CE2 4.3Å; V401-Y434 HydrophobicContact CG2-CD2 4.21Å; V401-Y434 HydrophobicContact CG2-CE2 4.04Å; V401-M437 HydrophobicContact CG2-CB 3.88Å; V401-F438 HydrophobicContact CG1-CB 4.01Å; V401-K441 HydrophobicContact CB-CD 4.07Å; V401-K441 HydrophobicContact CG1-CD 4.37Å; V401-K441 PolarHBondContact O-NZ 3.01Å; V401-S515 WeakPolarHBondContact O-CB 3.33Å
402L83.8Confident69Low4 Ų459.8 Ų59.82%0.02134%0.341CS..  trans-113.1129.8-177-176.264000109.3P405 P416 I424 Y434 V512 D513L402-P405 HydrophobicContact CD2-CB 3.93Å; L402-P416 HydrophobicContact CD2-CG 3.72Å; L402-I424 HydrophobicContact CB-CD1 4.2Å; L402-I424 HydrophobicContact CD2-CD1 4.24Å; L402-Y434 PolarHBondContact N-OH 2.93Å; L402-V512 WeakPolarHBondContact CD1-O 3.46Å; L402-D513 WeakPolarHBondContact CD1-O 3.33Å
403L81.8Confident66.9Low2 Ų269 Ų691%0.0138%0.38CS..SBendtrans-93.5-40-174.4-63.4-176.9000112.7W357 F438 K441 A442 V445 V512W357-L403 HydrophobicContact CB-CB 3.96Å; W357-L403 HydrophobicContact CB-CD2 4.21Å; W357-L403 HydrophobicContact CB-CG 4.47Å; W357-L403 HydrophobicContact CD2-CB 4.37Å; W357-L403 HydrophobicContact CE3-CD1 4.27Å; W357-L403 HydrophobicContact CG-CB 3.94Å; L403-F438 HydrophobicContact CD2-CD2 3.59Å; L403-F438 HydrophobicContact CD2-CE2 3.92Å; L403-F438 HydrophobicContact CD2-CG 4.08Å; L403-K441 HydrophobicContact CD1-CG 4.22Å; L403-K441 HydrophobicContact CD2-CB 4.26Å; L403-K441 HydrophobicContact CD2-CD 4.49Å; L403-K441 HydrophobicContact CD2-CG 4.34Å; L403-K441 HydrophobicContact CG-CD 4.44Å; L403-K441 HydrophobicContact CG-CG 4.39Å; L403-A442 HydrophobicContact CD2-CB 4.45Å; L403-V445 HydrophobicContact CD1-CB 4.24Å; L403-V445 HydrophobicContact CD1-CG2 3.88Å; L403-V512 HydrophobicContact CB-CB 4.39Å; L403-V512 HydrophobicContact CB-CG1 3.79Å; L403-V512 HydrophobicContact CD1-CG2 4.3Å; L403-V512 PolarHBondContact N-O 3.48Å
404H71.8Confident64.6Low38 Ų3869.5 Ų69.518%0.17639%0.386CS..  trans-129.3101.2175.7-166.871.7000110.5A354 D355 T406 V512A354-H404 PolarHBondContact O-ND1 3.42Å; D355-H404 IonicContact OD1-CE1 2.75Å; H404-T406 PolarHBondContact O-N 2.87Å; H404-V512 HydrophobicContact CB-CG1 3.55Å; H404-V512 PolarHBondContact N-O 3.47Å
405P65.6Low62.9Low12 Ų1272.3 Ų72.38%0.07840%0.403CS..  trans-74.295.1175.530.3-35.2000110.6A354 L402 F407 I424A354-P405 HydrophobicContact CB-CG 4.34Å; L402-P405 HydrophobicContact CD2-CB 3.93Å; P405-F407 VanDerWaalsContact C-N 3.28Å; P405-F407 HydrophobicContact CB-CD2 4.29Å; P405-F407 HydrophobicContact CB-CE1 4.11Å; P405-F407 HydrophobicContact CB-CE2 3.64Å; P405-F407 HydrophobicContact CB-CZ 3.51Å; P405-F407 HydrophobicContact CG-CD2 4.41Å; P405-F407 HydrophobicContact CG-CE2 3.57Å; P405-F407 HydrophobicContact CG-CZ 3.81Å; P405-F407 VanDerWaalsContact O-CD2 3.26Å; P405-F407 WeakPolarHBondContact O-CD2 3.41Å; P405-F407 PolarHBondContact O-N 3.11Å; P405-I424 HydrophobicContact CG-CG2 4.27Å
406T62.2Low61.2Low85 Ų8576.2 Ų76.252%0.52143%0.428SS..  trans-68.183.1171.553.50000110.9H404 S408H404-T406 PolarHBondContact O-N 2.87Å; T406-S408 VanDerWaalsContact C-N 3.34Å; T406-S408 PolarHBondContact O-N 2.56Å
407F55.1Low59.7Low106 Ų10674.6 Ų74.647%0.46542%0.42SS..  trans-66.189.7174.4-62.9-65.5000110.7P405 G409 K425P405-F407 VanDerWaalsContact C-N 3.28Å; P405-F407 HydrophobicContact CB-CD2 4.29Å; P405-F407 HydrophobicContact CB-CE1 4.11Å; P405-F407 HydrophobicContact CB-CE2 3.64Å; P405-F407 HydrophobicContact CB-CZ 3.51Å; P405-F407 HydrophobicContact CG-CD2 4.41Å; P405-F407 HydrophobicContact CG-CE2 3.57Å; P405-F407 HydrophobicContact CG-CZ 3.81Å; P405-F407 VanDerWaalsContact O-CD2 3.26Å; P405-F407 WeakPolarHBondContact O-CD2 3.41Å; P405-F407 PolarHBondContact O-N 3.11Å; F407-G409 PolarHBondContact O-N 3.36Å; F407-K425 HydrophobicContact CE1-CD 4.42Å; F407-K425 HydrophobicContact CE1-CG 3.91Å; F407-K425 HydrophobicContact CE2-CG 3.7Å; F407-K425 HydrophobicContact CZ-CB 4.38Å; F407-K425 HydrophobicContact CZ-CD 4.19Å; F407-K425 HydrophobicContact CZ-CG 3.26Å
408S39Very low58.2Low99 Ų9972.1 Ų72.169%0.69242%0.419SS*.  trans-58.7125.4173.577.10000109.5T406 G410T406-S408 VanDerWaalsContact C-N 3.34Å; T406-S408 PolarHBondContact O-N 2.56Å; S408-G410 PolarHBondContact O-N 2.67Å
409G37.1Very low57.3Low83 Ų8374.3 Ų74.386%0.85643%0.428SS*.THydrogen-bonded Turntrans-64.3130.1-159.600000114.4F407F407-G409 PolarHBondContact O-N 3.36Å
410G36.1Very low56.5Low80 Ų8075 Ų7583%0.82543%0.43SS*.THydrogen-bonded Turntrans93.68.1161.400000117.6S408S408-G410 PolarHBondContact O-N 2.67Å
411K39.2Very low55.8Low167 Ų16775.1 Ų75.173%0.72643%0.428SS*.  trans-128.698170.9-71.2-172.6179.2-179.60111.8K413K411-K413 PolarHBondContact O-N 3.49Å; K411-K413 VanDerWaalsContact O-N 3.12Å
412E44.3Very low54.9Low176 Ų17675.6 Ų75.682%0.82243%0.43SS*.THydrogen-bonded Turntrans-76.58-172.4-56-174.2108.800115.5
413K45.9Very low54Low198 Ų19875.9 Ų75.986%0.86143%0.432SS*.THydrogen-bonded Turntrans-94.7-22.7-172.3-72.5-165.5170.7-171.90115K411 N415K411-K413 PolarHBondContact O-N 3.49Å; K411-K413 VanDerWaalsContact O-N 3.12Å; K413-N415 PolarHBondContact O-N 3.24Å
414D42.2Very low53.5Low122 Ų12276.5 Ų76.565%0.65244%0.436SS*.  trans-93.478.5-173.9-56.7-38.5000110.1P416D414-P416 WeakPolarHBondContact O-CD 3.46Å
415N52Low53.4Low82 Ų8278.1 Ų78.144%0.43944%0.442SS..  trans-68.8113.9159-102.66.7000107K413 T417K413-N415 PolarHBondContact O-N 3.24Å; N415-T417 PolarHBondContact O-N 3.48Å; N415-T417 VanDerWaalsContact O-N 3.16Å
416P50.8Low53.9Low81 Ų8178.1 Ų78.153%0.52644%0.441SS..SBendtrans-67.4-18.7-174.127.5-35.6000113.2L402 D414 P418L402-P416 HydrophobicContact CD2-CG 3.72Å; D414-P416 WeakPolarHBondContact O-CD 3.46Å; P416-P418 VanDerWaalsContact O-CD 3.3Å; P416-P418 WeakPolarHBondContact O-CD 3.42Å
417T54.4Low54.6Low10 Ų1074.5 Ų74.56%0.06142%0.419CS..  trans-114.378.5177.755.10000110.2N415 H419 L420 I424N415-T417 PolarHBondContact O-N 3.48Å; N415-T417 VanDerWaalsContact O-N 3.16Å; T417-H419 PolarHBondContact O-N 3.42Å; T417-H419 VanDerWaalsContact O-N 3.09Å; T417-L420 PolarHBondContact O-N 3.29Å; T417-L420 VanDerWaalsContact O-N 3.09Å; T417-I424 HydrophobicContact CG2-CD1 4.48Å
418P50.2Low55.6Low92 Ų9269.9 Ų69.960%0.59740%0.399SS*.THydrogen-bonded Turntrans-65-14.1-176.326.9-36000114.1P416P416-P418 VanDerWaalsContact O-CD 3.3Å; P416-P418 WeakPolarHBondContact O-CD 3.42Å
419H54.9Low57.5Low108 Ų10865.3 Ų65.350%0.537%0.367SS..THydrogen-bonded Turntrans-80.3-20175.8-51.7-67000113.5T417 H421T417-H419 PolarHBondContact O-N 3.42Å; T417-H419 VanDerWaalsContact O-N 3.09Å; H419-H421 PolarHBondContact O-N 3.35Å
420L59.7Low59.6Low22 Ų2262.1 Ų62.112%0.11533%0.33CS..  trans-84.6117-179.3-165.672.7000109.8T417 F422 I424 Y434T417-L420 PolarHBondContact O-N 3.29Å; T417-L420 VanDerWaalsContact O-N 3.09Å; L420-F422 HydrophobicContact CD1-CD2 4.49Å; L420-F422 HydrophobicContact CD2-CB 4.27Å; L420-F422 HydrophobicContact CG-CB 4.15Å; L420-F422 PolarHBondContact O-N 3.1Å; L420-F422 VanDerWaalsContact O-N 3.16Å; L420-I424 HydrophobicContact CD2-CD1 3.89Å; L420-I424 HydrophobicContact CD2-CG1 3.58Å; L420-Y434 HydrophobicContact CD1-CD2 3.91Å; L420-Y434 HydrophobicContact CD1-CE2 4.04Å; L420-Y434 HydrophobicContact CD2-CD2 4.33Å; L420-Y434 HydrophobicContact CD2-CE2 3.85Å
421H62.2Low61.8Low9 Ų958.4 Ų58.44%0.04229%0.291CS..SBendtrans-75.22.9179.161-99000114L92 S96 H419 Y965 L970L92-H421 HydrophobicContact CD2-CB 3.95Å; L92-H421 HydrophobicContact CG-CB 4.46Å; S96-H421 WeakPolarHBondContact CB-O 3.36Å; S96-H421 PolarHBondContact OG-O 2.94Å; H419-H421 PolarHBondContact O-N 3.35Å; H421-Y965 HydrophobicContact CB-CD2 4.04Å; H421-Y965 HydrophobicContact CB-CE2 4.39Å; H421-Y965 VanDerWaalsContact CE1-CB 3.46Å; H421-Y965 WeakPolarHBondContact CE1-CB 3.41Å; H421-Y965 AromaticContact CE1-CD1 3.53Å; H421-Y965 AromaticContact CE1-CG 3.38Å; H421-Y965 AromaticContact CG-CD2 3.83Å; H421-Y965 AromaticContact CG-CG 3.96Å; H421-Y965 AromaticContact ND1-CD1 3.54Å; H421-Y965 AromaticContact ND1-CD2 3.39Å; H421-Y965 WeakPolarHBondContact ND1-CD2 3.25Å; H421-Y965 AromaticContact ND1-CE1 3.95Å; H421-Y965 AromaticContact ND1-CE2 3.83Å; H421-Y965 AromaticContact ND1-CG 3.23Å; H421-L970 HydrophobicContact CB-CD2 3.63Å
422F64.4Low64Low12 Ų1253.4 Ų53.45%0.05327%0.268CS..SBendtrans-114.2157.1-179.7-69.6-67.2000112.6L420 T429 C958 V961 N962L420-F422 HydrophobicContact CD1-CD2 4.49Å; L420-F422 HydrophobicContact CD2-CB 4.27Å; L420-F422 HydrophobicContact CG-CB 4.15Å; L420-F422 PolarHBondContact O-N 3.1Å; L420-F422 VanDerWaalsContact O-N 3.16Å; F422-T429 WeakPolarHBondContact CB-O 3.15Å; F422-T429 WeakPolarHBondContact CD1-O 3.13Å; F422-T429 WeakPolarHBondContact CG-O 3.44Å; F422-C958 HydrophobicContact CE1-CB 4.13Å; F422-C958 HydrophobicContact CZ-CB 4.04Å; F422-C958 WeakPolarHBondContact CZ-O 3.5Å; F422-V961 HydrophobicContact CD1-CG1 4.28Å; F422-V961 HydrophobicContact CE1-CB 3.76Å; F422-V961 HydrophobicContact CE1-CG1 3.38Å; F422-V961 HydrophobicContact CE1-CG2 4.44Å; F422-V961 HydrophobicContact CZ-CB 3.84Å; F422-V961 HydrophobicContact CZ-CG1 3.56Å; F422-N962 WeakPolarHBondContact CE2-OD1 3.4Å
423S65.3Low65.9Low9 Ų948 Ų486%0.06324%0.243CC..  trans-84.8135166.2-166.30000111.5T100 K425 T429T100-S423 VanDerWaalsContact OG1-CB 3.29Å; T100-S423 WeakPolarHBondContact OG1-CB 3.37Å; S423-K425 VanDerWaalsContact C-N 3.27Å; S423-K425 WeakPolarHBondContact OG-CB 3.39Å; S423-K425 PolarHBondContact OG-N 3.35Å; S423-T429 WeakPolarHBondContact O-CB 3.46Å; S423-T429 PolarHBondContact O-OG1 2.92Å
424I71.5Confident67.8Low16 Ų1638.8 Ų38.88%0.08220%0.203CC..THydrogen-bonded Turntrans-82.8-8.8175-54165000111.1W353 L402 P405 T417 L420 H426 L430 Y434W353-I424 PolarHBondContact NE1-O 3.12Å; W353-I424 VanDerWaalsContact NE1-O 3.11Å; L402-I424 HydrophobicContact CB-CD1 4.2Å; L402-I424 HydrophobicContact CD2-CD1 4.24Å; P405-I424 HydrophobicContact CG-CG2 4.27Å; T417-I424 HydrophobicContact CG2-CD1 4.48Å; L420-I424 HydrophobicContact CD2-CD1 3.89Å; L420-I424 HydrophobicContact CD2-CG1 3.58Å; I424-H426 VanDerWaalsContact C-N 3.28Å; I424-H426 PolarHBondContact O-N 2.76Å; I424-L430 HydrophobicContact CG1-CD2 4.47Å; I424-Y434 WeakPolarHBondContact CD1-OH 3.35Å
425K70.1Confident70Confident72 Ų7233.3 Ų33.331%0.31317%0.173SC..THydrogen-bonded Turntrans-60.9-26.9-173.8-74.8179.1176.8-179.40115.1F407 S423F407-K425 HydrophobicContact CE1-CD 4.42Å; F407-K425 HydrophobicContact CE1-CG 3.91Å; F407-K425 HydrophobicContact CE2-CG 3.7Å; F407-K425 HydrophobicContact CZ-CB 4.38Å; F407-K425 HydrophobicContact CZ-CD 4.19Å; F407-K425 HydrophobicContact CZ-CG 3.26Å; S423-K425 VanDerWaalsContact C-N 3.27Å; S423-K425 WeakPolarHBondContact OG-CB 3.39Å; S423-K425 PolarHBondContact OG-N 3.35Å
426H75.5Confident71.7Confident12 Ų1233.9 Ų33.96%0.05617%0.172CC..SBendtrans-137.1154.1-175-53.896.7000110.6V103 S104 D107 I424 H428 T429V103-H426 HydrophobicContact CG1-CB 3.92Å; S104-H426 PolarHBondContact OG-CE1 2.79Å; S104-H426 VanDerWaalsContact OG-CE1 3.28Å; D107-H426 IonicContact OD1-CD2 3.61Å; I424-H426 VanDerWaalsContact C-N 3.28Å; I424-H426 PolarHBondContact O-N 2.76Å; H426-H428 VanDerWaalsContact C-N 3.28Å; H426-H428 PolarHBondContact O-N 3.22Å; H426-T429 PolarHBondContact O-OG1 3.21Å
427P76.3Confident73.6Confident8 Ų830.6 Ų30.65%0.05215%0.149CC..G310 helixtrans-67.1-30.2174.527.5-34.6000112.4W353 T429 L430W353-P427 HydrophobicContact CD2-CB 4.15Å; W353-P427 HydrophobicContact CD2-CG 4.37Å; W353-P427 HydrophobicContact CE3-CB 4.11Å; W353-P427 HydrophobicContact CE3-CG 4.38Å; W353-P427 HydrophobicContact CH2-CB 4.37Å; W353-P427 HydrophobicContact CZ2-CB 4.37Å; W353-P427 HydrophobicContact CZ3-CB 4.23Å; P427-T429 PolarHBondContact O-N 3.47Å; P427-T429 VanDerWaalsContact O-N 3.15Å; P427-L430 PolarHBondContact O-N 3.49Å
428H76.4Confident75.3Confident10 Ų1030.5 Ų30.55%0.04615%0.148CC..G310 helixtrans-73.3-1.6-176-52.2-44.2000115.1Y99 N173 H426 W954Y99-H428 WeakPolarHBondContact CE1-O 3.43Å; Y99-H428 PolarHBondContact OH-O 3.16Å; N173-H428 WeakPolarHBondContact CA-CE1 3.49Å; N173-H428 WeakPolarHBondContact CB-CE1 3.25Å; N173-H428 WeakPolarHBondContact CB-NE2 3.4Å; N173-H428 PolarHBondContact N-CE1 3.18Å; N173-H428 VanDerWaalsContact N-CE1 3.34Å; N173-H428 PolarHBondContact ND2-NE2 2.93Å; N173-H428 VanDerWaalsContact ND2-NE2 3.14Å; N173-H428 PolarHBondContact O-CE1 3.07Å; H426-H428 VanDerWaalsContact C-N 3.28Å; H426-H428 PolarHBondContact O-N 3.22Å; H428-W954 HydrophobicContact CB-CB 4.45Å; H428-W954 HydrophobicContact CB-CD2 4.19Å; H428-W954 HydrophobicContact CB-CE3 4.4Å; H428-W954 HydrophobicContact CB-CG 4.21Å; H428-W954 AromaticContact CE1-CD1 3.49Å; H428-W954 VanDerWaalsContact CE1-CD1 3.49Å; H428-W954 AromaticContact CE1-CE2 4Å; H428-W954 AromaticContact CE1-NE1 3.13Å; H428-W954 PolarHBondContact CE1-NE1 3.44Å; H428-W954 AromaticContact ND1-CD1 3.12Å; H428-W954 AromaticContact ND1-CD2 3.68Å; H428-W954 AromaticContact ND1-CE2 3.66Å; H428-W954 AromaticContact ND1-CG 3.38Å; H428-W954 AromaticContact ND1-NE1 3.25Å; H428-W954 PolarHBondContact ND1-NE1 3.39Å
429T78.8Confident77.2Confident2 Ų228.2 Ų28.21%0.01213%0.13CC..G310 helixtrans-1145.9177.543.50000112.5Y99 F422 S423 H426 P427Y99-T429 HydrophobicContact CD1-CG2 3.73Å; Y99-T429 HydrophobicContact CE1-CG2 3.56Å; F422-T429 WeakPolarHBondContact CB-O 3.15Å; F422-T429 WeakPolarHBondContact CD1-O 3.13Å; F422-T429 WeakPolarHBondContact CG-O 3.44Å; S423-T429 WeakPolarHBondContact O-CB 3.46Å; S423-T429 PolarHBondContact O-OG1 2.92Å; H426-T429 PolarHBondContact O-OG1 3.21Å; P427-T429 PolarHBondContact O-N 3.47Å; P427-T429 VanDerWaalsContact O-N 3.15Å
430L80.7Confident79Confident16 Ų1623.4 Ų23.48%0.08411%0.108CC..  trans-102.2132.1-176.2-67.8177.2000113.2W353 I424 P427 Y434W353-L430 HydrophobicContact CH2-CD1 4.49Å; W353-L430 HydrophobicContact CZ2-CD1 3.47Å; W353-L430 VanDerWaalsContact CZ2-CD1 3.47Å; I424-L430 HydrophobicContact CG1-CD2 4.47Å; P427-L430 PolarHBondContact O-N 3.49Å; L430-Y434 HydrophobicContact CD1-CD1 4.43Å; L430-Y434 HydrophobicContact CD2-CD1 3.76Å; L430-Y434 HydrophobicContact CD2-CE1 3.89Å; L430-Y434 HydrophobicContact CD2-CG 4.49Å
431S83Confident80.5Confident2 Ų222.3 Ų22.31%0.01410%0.102CC..  trans-57.5141.4166.81750000111.5E433 Y434 F435 N962S431-E433 VanDerWaalsContact C-N 3.25Å; S431-E433 PolarHBondContact O-N 3.47Å; S431-E433 PolarHBondContact OG-N 3.35Å; S431-Y434 WeakPolarHBondContact O-CB 3.47Å; S431-Y434 PolarHBondContact O-N 3.17Å; S431-F435 PolarHBondContact O-N 3.11Å; S431-N962 WeakPolarHBondContact CB-ND2 3.31Å; S431-N962 PolarHBondContact OG-ND2 2.97Å
432W84.8Confident82Confident62 Ų6221.9 Ų21.924%0.23510%0.1CC..Hα-helixtrans-59.7-35.8177.4-175.9-114.4000112.5Y171 V303 F435 K436 H913 R955Y171-W432 HydrophobicContact CD2-CZ3 4.15Å; Y171-W432 HydrophobicContact CE2-CZ3 4.14Å; V303-W432 HydrophobicContact CG2-CH2 3.81Å; V303-W432 HydrophobicContact CG2-CZ2 4.21Å; W432-F435 HydrophobicContact CE3-CD1 4.27Å; W432-F435 AromaticContact CZ3-CD1 3.99Å; W432-F435 HydrophobicContact CZ3-CD1 3.99Å; W432-F435 HydrophobicContact CZ3-CE1 4.46Å; W432-F435 PolarHBondContact O-N 2.96Å; W432-K436 PolarHBondContact O-N 3.31Å; W432-H913 AromaticContact CD1-CE1 3.7Å; W432-H913 AromaticContact CD1-NE2 3.42Å; W432-H913 AromaticContact CG-CE1 3.91Å; W432-R955 HydrophobicContact CB-CG 4.29Å
433E84Confident83.3Confident64 Ų6421.4 Ų21.430%0.29910%0.098SC..Hα-helixtrans-67.3-42.8176.8-57.5-163.2137.700111.7Y394 S431 F435 K436 M437 K921Y394-E433 HydrophobicContact CE2-CB 4.05Å; S431-E433 VanDerWaalsContact C-N 3.25Å; S431-E433 PolarHBondContact O-N 3.47Å; S431-E433 PolarHBondContact OG-N 3.35Å; E433-F435 VanDerWaalsContact C-N 3.29Å; E433-F435 PolarHBondContact O-N 2.65Å; E433-K436 PolarHBondContact O-N 3.03Å; E433-M437 WeakPolarHBondContact O-CG 3.29Å; E433-M437 PolarHBondContact O-N 3.4Å; E433-K921 WeakPolarHBondContact OE1-CE 3.4Å; E433-K921 IonicContact OE1-NZ 3.95Å; E433-K921 PolarHBondContact OE1-NZ 2.56Å
434Y87.1Confident84.6Confident4 Ų421.4 Ų21.42%0.01610%0.097CC..Hα-helixtrans-59.6-42.3173.7-171.5-84.4000110.7Y394 V401 L402 L420 I424 L430 S431 M437 F438Y394-Y434 HydrophobicContact CE1-CD2 4.14Å; V401-Y434 HydrophobicContact CB-CE2 4.33Å; V401-Y434 HydrophobicContact CG1-CE1 4.04Å; V401-Y434 HydrophobicContact CG1-CE2 4.3Å; V401-Y434 HydrophobicContact CG2-CD2 4.21Å; V401-Y434 HydrophobicContact CG2-CE2 4.04Å; L402-Y434 PolarHBondContact N-OH 2.93Å; L420-Y434 HydrophobicContact CD1-CD2 3.91Å; L420-Y434 HydrophobicContact CD1-CE2 4.04Å; L420-Y434 HydrophobicContact CD2-CD2 4.33Å; L420-Y434 HydrophobicContact CD2-CE2 3.85Å; I424-Y434 WeakPolarHBondContact CD1-OH 3.35Å; L430-Y434 HydrophobicContact CD1-CD1 4.43Å; L430-Y434 HydrophobicContact CD2-CD1 3.76Å; L430-Y434 HydrophobicContact CD2-CE1 3.89Å; L430-Y434 HydrophobicContact CD2-CG 4.49Å; S431-Y434 WeakPolarHBondContact O-CB 3.47Å; S431-Y434 PolarHBondContact O-N 3.17Å; Y434-M437 PolarHBondContact O-N 2.88Å; Y434-F438 WeakPolarHBondContact O-CB 3.45Å; Y434-F438 PolarHBondContact O-N 3.47Å
435F87.2Confident85.6Confident6 Ų620.7 Ų20.73%0.0269%0.094CC..Hα-helixtrans-67.9-37.3177.4-179.5-112.5000113.3Y171 W353 K360 S431 W432 E433 M437 F438 Q439Y171-F435 HydrophobicContact CE2-CD1 4.11Å; Y171-F435 AromaticContact CE2-CE1 3.66Å; Y171-F435 HydrophobicContact CE2-CE1 3.66Å; Y171-F435 HydrophobicContact CE2-CZ 4.13Å; Y171-F435 AromaticContact CZ-CD1 3.8Å; Y171-F435 AromaticContact CZ-CE1 3.65Å; Y171-F435 AromaticContact CZ-CZ 3.94Å; Y171-F435 VanDerWaalsContact OH-CD1 3.24Å; Y171-F435 WeakPolarHBondContact OH-CD1 3.16Å; Y171-F435 VanDerWaalsContact OH-CD2 3.25Å; Y171-F435 WeakPolarHBondContact OH-CD2 3.45Å; Y171-F435 WeakPolarHBondContact OH-CE1 3.49Å; Y171-F435 WeakPolarHBondContact OH-CE2 3.43Å; Y171-F435 WeakPolarHBondContact OH-CG 3.44Å; Y171-F435 WeakPolarHBondContact OH-CZ 3.39Å; W353-F435 HydrophobicContact CH2-CE2 4.4Å; K360-F435 HydrophobicContact CG-CZ 4.47Å; S431-F435 PolarHBondContact O-N 3.11Å; W432-F435 HydrophobicContact CE3-CD1 4.27Å; W432-F435 AromaticContact CZ3-CD1 3.99Å; W432-F435 HydrophobicContact CZ3-CD1 3.99Å; W432-F435 HydrophobicContact CZ3-CE1 4.46Å; W432-F435 PolarHBondContact O-N 2.96Å; E433-F435 VanDerWaalsContact C-N 3.29Å; E433-F435 PolarHBondContact O-N 2.65Å; F435-M437 VanDerWaalsContact C-N 3.34Å; F435-M437 PolarHBondContact O-N 3.39Å; F435-F438 HydrophobicContact CD2-CB 4.43Å; F435-F438 AromaticContact CD2-CD1 3.89Å; F435-F438 HydrophobicContact CD2-CD1 3.89Å; F435-F438 HydrophobicContact CD2-CG 4.43Å; F435-F438 AromaticContact CE2-CD1 3.75Å; F435-F438 HydrophobicContact CE2-CD1 3.75Å; F435-F438 HydrophobicContact CE2-CE1 4.11Å; F435-F438 WeakPolarHBondContact O-CB 3.37Å; F435-F438 PolarHBondContact O-N 3.22Å; F435-Q439 HydrophobicContact CE1-CG 4.01Å; F435-Q439 HydrophobicContact CE2-CG 4.11Å; F435-Q439 HydrophobicContact CZ-CG 3.72Å; F435-Q439 PolarHBondContact O-N 2.96Å
436K88.3Confident86.7Confident95 Ų9517.2 Ų17.241%0.4138%0.079SC..Hα-helixtrans-59.6-46.6171.8-168.1-165.4178.3-160.80110.7W432 E433 F438 Q439 C440W432-K436 PolarHBondContact O-N 3.31Å; E433-K436 PolarHBondContact O-N 3.03Å; K436-F438 VanDerWaalsContact C-N 3.33Å; K436-F438 PolarHBondContact O-N 2.81Å; K436-Q439 WeakPolarHBondContact O-CB 3.4Å; K436-Q439 PolarHBondContact O-N 3.13Å; K436-C440 PolarHBondContact O-N 3.35Å; K436-C440 VanDerWaalsContact O-N 3.1Å; K436-C440 PolarHBondContact O-SG 2.91Å
437M90Very high87.5Confident12 Ų1217.7 Ų17.76%0.0598%0.08CC..Hα-helixtrans-67.1-33.3178.4-63.5-60.8100.100112.6Q390 I391 Y394 V401 E433 Y434 F435 C440 K441Q390-M437 HydrophobicContact CB-CE 4.13Å; Q390-M437 HydrophobicContact CB-SD 4.12Å; I391-M437 HydrophobicContact CG1-SD 4.08Å; Y394-M437 HydrophobicContact CD1-CB 4.22Å; Y394-M437 HydrophobicContact CD1-CG 3.82Å; Y394-M437 HydrophobicContact CD2-CG 3.96Å; Y394-M437 HydrophobicContact CE1-CG 4.38Å; Y394-M437 HydrophobicContact CE2-CG 4.5Å; Y394-M437 HydrophobicContact CG-CB 4.47Å; Y394-M437 HydrophobicContact CG-CG 3.59Å; Y394-M437 HydrophobicContact CG-SD 4.35Å; V401-M437 HydrophobicContact CG2-CB 3.88Å; E433-M437 WeakPolarHBondContact O-CG 3.29Å; E433-M437 PolarHBondContact O-N 3.4Å; Y434-M437 PolarHBondContact O-N 2.88Å; F435-M437 VanDerWaalsContact C-N 3.34Å; F435-M437 PolarHBondContact O-N 3.39Å; M437-C440 PolarHBondContact O-N 3.25Å; M437-K441 WeakPolarHBondContact O-CB 3.49Å; M437-K441 PolarHBondContact O-N 3.43Å
438F90.4Very high88.1Confident7 Ų717.6 Ų17.63%0.0318%0.079CC..Hα-helixtrans-60.9-41.4170.4174.2-83.9000112E356 W357 V401 L403 Y434 F435 K436 A442E356-F438 HydrophobicContact CB-CE1 4.27Å; E356-F438 HydrophobicContact CB-CZ 4.15Å; E356-F438 HydrophobicContact CG-CE1 4.04Å; E356-F438 HydrophobicContact CG-CZ 4.42Å; W357-F438 HydrophobicContact CB-CE1 4.16Å; W357-F438 HydrophobicContact CB-CE2 4.07Å; W357-F438 HydrophobicContact CB-CZ 3.6Å; V401-F438 HydrophobicContact CG1-CB 4.01Å; L403-F438 HydrophobicContact CD2-CD2 3.59Å; L403-F438 HydrophobicContact CD2-CE2 3.92Å; L403-F438 HydrophobicContact CD2-CG 4.08Å; Y434-F438 WeakPolarHBondContact O-CB 3.45Å; Y434-F438 PolarHBondContact O-N 3.47Å; F435-F438 HydrophobicContact CD2-CB 4.43Å; F435-F438 AromaticContact CD2-CD1 3.89Å; F435-F438 HydrophobicContact CD2-CD1 3.89Å; F435-F438 HydrophobicContact CD2-CG 4.43Å; F435-F438 AromaticContact CE2-CD1 3.75Å; F435-F438 HydrophobicContact CE2-CD1 3.75Å; F435-F438 HydrophobicContact CE2-CE1 4.11Å; F435-F438 WeakPolarHBondContact O-CB 3.37Å; F435-F438 PolarHBondContact O-N 3.22Å; K436-F438 VanDerWaalsContact C-N 3.33Å; K436-F438 PolarHBondContact O-N 2.81Å; F438-A442 VanDerWaalsContact O-CB 3.24Å; F438-A442 WeakPolarHBondContact O-CB 3.34Å; F438-A442 PolarHBondContact O-N 3.42Å
439Q90.9Very high88.9Confident45 Ų4517.1 Ų17.121%0.218%0.077CC..Hα-helixtrans-63.1-50.6173.7-69.3-169.2-5.500112.2K360 F435 K436 K441 A442 H443K360-Q439 HydrophobicContact CB-CG 4.36Å; K360-Q439 HydrophobicContact CG-CG 4.44Å; F435-Q439 HydrophobicContact CE1-CG 4.01Å; F435-Q439 HydrophobicContact CE2-CG 4.11Å; F435-Q439 HydrophobicContact CZ-CG 3.72Å; F435-Q439 PolarHBondContact O-N 2.96Å; K436-Q439 WeakPolarHBondContact O-CB 3.4Å; K436-Q439 PolarHBondContact O-N 3.13Å; Q439-K441 PolarHBondContact O-N 3.29Å; Q439-A442 PolarHBondContact O-N 3.49Å; Q439-H443 PolarHBondContact O-N 3.17Å
440C91.9Very high89.4Confident6 Ų618.3 Ų18.34%0.0418%0.082CC..Hα-helixtrans-62.5-42.4179.9-62.70000111.3E387 I391 K436 M437 A442 H443 L444E387-C440 HydrophobicContact CB-CB 4.3Å; E387-C440 PolarHBondContact OE1-SG 3.26Å; E387-C440 WeakPolarHBondContact OE2-CA 3.02Å; E387-C440 WeakPolarHBondContact OE2-CB 3.25Å; E387-C440 PolarHBondContact OE2-SG 3.13Å; I391-C440 HydrophobicContact CD1-CB 3.75Å; I391-C440 HydrophobicContact CG1-CB 4.13Å; K436-C440 PolarHBondContact O-N 3.35Å; K436-C440 VanDerWaalsContact O-N 3.1Å; K436-C440 PolarHBondContact O-SG 2.91Å; M437-C440 PolarHBondContact O-N 3.25Å; C440-A442 PolarHBondContact O-N 3.03Å; C440-H443 WeakPolarHBondContact O-CB 3.22Å; C440-H443 PolarHBondContact O-N 2.92Å; C440-L444 WeakPolarHBondContact O-CG 3.29Å; C440-L444 PolarHBondContact O-N 3.23Å
441K92.1Very high89.8Confident0 Ų020.9 Ų20.90%010%0.096CC..Hα-helixtrans-65.3-37.9177-169.1171.5-171.3165.60111.8I391 E395 V401 L403 M437 Q439 L444 V445 L626I391-K441 HydrophobicContact CD1-CB 4.1Å; E395-K441 WeakPolarHBondContact OE1-CD 3.47Å; E395-K441 IonicContact OE1-NZ 3.84Å; E395-K441 PolarHBondContact OE1-NZ 3.2Å; E395-K441 IonicContact OE2-NZ 2.85Å; E395-K441 PolarHBondContact OE2-NZ 3.48Å; V401-K441 HydrophobicContact CB-CD 4.07Å; V401-K441 HydrophobicContact CG1-CD 4.37Å; V401-K441 PolarHBondContact O-NZ 3.01Å; L403-K441 HydrophobicContact CD1-CG 4.22Å; L403-K441 HydrophobicContact CD2-CB 4.26Å; L403-K441 HydrophobicContact CD2-CD 4.49Å; L403-K441 HydrophobicContact CD2-CG 4.34Å; L403-K441 HydrophobicContact CG-CD 4.44Å; L403-K441 HydrophobicContact CG-CG 4.39Å; M437-K441 WeakPolarHBondContact O-CB 3.49Å; M437-K441 PolarHBondContact O-N 3.43Å; Q439-K441 PolarHBondContact O-N 3.29Å; K441-L444 PolarHBondContact O-N 3.29Å; K441-V445 WeakPolarHBondContact O-CB 3.37Å; K441-V445 VanDerWaalsContact O-CG2 3.28Å; K441-V445 WeakPolarHBondContact O-CG2 3.37Å; K441-V445 PolarHBondContact O-N 2.81Å; K441-L626 HydrophobicContact CD-CD1 4.45Å; K441-L626 HydrophobicContact CG-CD1 4.01Å
442A92.6Very high90Very high0 Ų026 Ų260%012%0.115CC..Hα-helixtrans-65-40.2172.900000112.8W357 L403 F438 Q439 C440 M446W357-A442 HydrophobicContact CB-CB 4.36Å; W357-A442 WeakPolarHBondContact O-CB 3.42Å; L403-A442 HydrophobicContact CD2-CB 4.45Å; F438-A442 VanDerWaalsContact O-CB 3.24Å; F438-A442 WeakPolarHBondContact O-CB 3.34Å; F438-A442 PolarHBondContact O-N 3.42Å; Q439-A442 PolarHBondContact O-N 3.49Å; C440-A442 PolarHBondContact O-N 3.03Å; A442-M446 WeakPolarHBondContact O-CG 3.29Å; A442-M446 PolarHBondContact O-N 2.92Å
443H93.3Very high90.2Very high2 Ų223.2 Ų23.21%0.00910%0.104CC..Hα-helixtrans-59.7-51172.3169.685.2000111.2G364 W383 E387 Q439 C440 V445 M446 R447G364-H443 PolarHBondContact O-CE1 3.02Å; G364-H443 PolarHBondContact O-ND1 3Å; W383-H443 AromaticContact CH2-CE1 3.48Å; W383-H443 VanDerWaalsContact CH2-CE1 3.48Å; W383-H443 WeakPolarHBondContact CH2-CE1 3.42Å; W383-H443 AromaticContact CH2-ND1 3.88Å; W383-H443 AromaticContact CH2-NE2 3.73Å; W383-H443 AromaticContact CZ3-CE1 3.81Å; W383-H443 AromaticContact CZ3-NE2 3.99Å; E387-H443 IonicContact OE2-CD2 3.58Å; Q439-H443 PolarHBondContact O-N 3.17Å; C440-H443 WeakPolarHBondContact O-CB 3.22Å; C440-H443 PolarHBondContact O-N 2.92Å; H443-V445 PolarHBondContact O-N 3.17Å; H443-M446 WeakPolarHBondContact O-CB 3.48Å; H443-M446 PolarHBondContact O-N 3.44Å; H443-R447 PolarHBondContact O-N 3.38Å; H443-R447 VanDerWaalsContact O-N 3.15Å
444L92.1Very high90.5Very high8 Ų823.1 Ų23.14%0.04211%0.111CC..Hα-helixtrans-65.1-38.1180-63.9-178.7000112.4I384 L388 I391 C440 K441 M446 R447 L448 L626I384-L444 HydrophobicContact CG2-CD2 3.85Å; L388-L444 HydrophobicContact CB-CD1 4.19Å; L388-L444 HydrophobicContact CD1-CD1 4.26Å; I391-L444 HydrophobicContact CD1-CD1 3.58Å; I391-L444 HydrophobicContact CD1-CG 4.43Å; C440-L444 WeakPolarHBondContact O-CG 3.29Å; C440-L444 PolarHBondContact O-N 3.23Å; K441-L444 PolarHBondContact O-N 3.29Å; L444-M446 VanDerWaalsContact C-N 3.33Å; L444-M446 PolarHBondContact O-N 3.33Å; L444-R447 CarbonylContact O-C 3.55Å; L444-R447 WeakPolarHBondContact O-CA 3.49Å; L444-R447 WeakPolarHBondContact O-CB 3.45Å; L444-R447 PolarHBondContact O-N 3.14Å; L444-R447 VanDerWaalsContact O-N 3.1Å; L444-L448 WeakPolarHBondContact O-CG 3.47Å; L444-L448 PolarHBondContact O-N 2.76Å; L444-L626 HydrophobicContact CB-CD2 3.57Å; L444-L626 HydrophobicContact CD1-CD2 3.75Å; L444-L626 HydrophobicContact CG-CD2 4.31Å
445V92.7Very high90.7Very high1 Ų126.7 Ų26.71%0.00613%0.129CC..Hα-helixtrans-63.6-37174.8166.70000112W357 L403 K441 H443 R447 L448 I449 W511 V512W357-V445 HydrophobicContact CH2-CG1 4.47Å; W357-V445 HydrophobicContact CZ3-CG1 3.91Å; L403-V445 HydrophobicContact CD1-CB 4.24Å; L403-V445 HydrophobicContact CD1-CG2 3.88Å; K441-V445 WeakPolarHBondContact O-CB 3.37Å; K441-V445 VanDerWaalsContact O-CG2 3.28Å; K441-V445 WeakPolarHBondContact O-CG2 3.37Å; K441-V445 PolarHBondContact O-N 2.81Å; H443-V445 PolarHBondContact O-N 3.17Å; V445-R447 VanDerWaalsContact C-N 3.3Å; V445-R447 PolarHBondContact O-N 3.35Å; V445-L448 HydrophobicContact CG2-CD1 4.46Å; V445-L448 WeakPolarHBondContact O-CB 3.36Å; V445-L448 PolarHBondContact O-N 3.32Å; V445-L448 VanDerWaalsContact O-N 3.1Å; V445-I449 HydrophobicContact CG1-CD1 4.33Å; V445-I449 WeakPolarHBondContact O-CG1 3.41Å; V445-I449 PolarHBondContact O-N 3.06Å; V445-W511 HydrophobicContact CG2-CB 3.88Å; V445-V512 HydrophobicContact CG1-CG2 3.81Å
446M92.9Very high90.8Very high0 Ų032.4 Ų32.40%016%0.156CC..Hα-helixtrans-61.7-39.2171.5-75.8-65-59.500112G361 I362 A442 H443 L444 L448 I449 E450 M458 F462 F492G361-M446 VanDerWaalsContact C-CG 3.5Å; I362-M446 HydrophobicContact CG1-CE 3.67Å; I362-M446 HydrophobicContact CG1-SD 4.15Å; A442-M446 WeakPolarHBondContact O-CG 3.29Å; A442-M446 PolarHBondContact O-N 2.92Å; H443-M446 WeakPolarHBondContact O-CB 3.48Å; H443-M446 PolarHBondContact O-N 3.44Å; L444-M446 VanDerWaalsContact C-N 3.33Å; L444-M446 PolarHBondContact O-N 3.33Å; M446-L448 VanDerWaalsContact C-N 3.34Å; M446-L448 PolarHBondContact O-N 3.35Å; M446-I449 WeakPolarHBondContact O-CB 3.31Å; M446-I449 PolarHBondContact O-N 3.05Å; M446-I449 VanDerWaalsContact O-N 3.13Å; M446-I449 HydrophobicContact SD-CD1 4.09Å; M446-E450 PolarHBondContact O-N 3.21Å; M446-M458 HydrophobicContact CE-CE 3.97Å; M446-M458 HydrophobicContact CE-SD 3.82Å; M446-F462 HydrophobicContact CE-CE1 3.89Å; M446-F462 HydrophobicContact CE-CZ 3.66Å; M446-F492 HydrophobicContact CE-CZ 3.98Å; M446-F492 HydrophobicContact SD-CE1 3.99Å; M446-F492 HydrophobicContact SD-CZ 3.84Å
447R91.9Very high91Very high22 Ų2231.5 Ų31.58%0.08315%0.152CC..Hα-helixtrans-65.5-31.9171.5-169.5176.3177.2-86.4-10.1113H443 L444 V445 I449 E450 N451 D622 M623H443-R447 PolarHBondContact O-N 3.38Å; H443-R447 VanDerWaalsContact O-N 3.15Å; L444-R447 CarbonylContact O-C 3.55Å; L444-R447 WeakPolarHBondContact O-CA 3.49Å; L444-R447 WeakPolarHBondContact O-CB 3.45Å; L444-R447 PolarHBondContact O-N 3.14Å; L444-R447 VanDerWaalsContact O-N 3.1Å; V445-R447 VanDerWaalsContact C-N 3.3Å; V445-R447 PolarHBondContact O-N 3.35Å; R447-I449 VanDerWaalsContact C-N 3.33Å; R447-E450 PolarHBondContact O-N 3.24Å; R447-N451 WeakPolarHBondContact O-CB 3.13Å; R447-N451 VanDerWaalsContact O-CG 3.26Å; R447-N451 PolarHBondContact O-N 3.19Å; R447-N451 PolarHBondContact O-ND2 3.09Å; R447-D622 VanDerWaalsContact CZ-O 3.28Å; R447-D622 PolarHBondContact NH1-O 2.79Å; R447-D622 PolarHBondContact NH2-O 3.5Å; R447-M623 PolarHBondContact NH1-O 2.95Å
448L90Very high91.1Very high5 Ų531.3 Ų31.33%0.02615%0.151CC..Hα-helixtrans-65.3-35.6170.3-59.1-173.1000112.2L444 V445 M446 R452 L507 W511 S624 L626L444-L448 WeakPolarHBondContact O-CG 3.47Å; L444-L448 PolarHBondContact O-N 2.76Å; V445-L448 HydrophobicContact CG2-CD1 4.46Å; V445-L448 WeakPolarHBondContact O-CB 3.36Å; V445-L448 PolarHBondContact O-N 3.32Å; V445-L448 VanDerWaalsContact O-N 3.1Å; M446-L448 VanDerWaalsContact C-N 3.34Å; M446-L448 PolarHBondContact O-N 3.35Å; L448-R452 WeakPolarHBondContact O-CG 3.47Å; L448-R452 PolarHBondContact O-N 3.3Å; L448-L507 HydrophobicContact CB-CD1 4.35Å; L448-L507 HydrophobicContact CB-CD2 4.16Å; L448-W511 HydrophobicContact CD1-CB 4.37Å; L448-W511 HydrophobicContact CD1-CD2 3.94Å; L448-W511 HydrophobicContact CD1-CG 3.74Å; L448-S624 WeakPolarHBondContact CD2-O 3.38Å; L448-L626 HydrophobicContact CD1-CG 4.4Å
449I91.4Very high91.1Very high1 Ų132.7 Ų32.71%0.00516%0.159CC..Hα-helixtrans-69.8-44.3176.2-64.3167.2000110V445 M446 R447 N451 R452 I453 M458 F492 I496 I504 L507 I508V445-I449 HydrophobicContact CG1-CD1 4.33Å; V445-I449 WeakPolarHBondContact O-CG1 3.41Å; V445-I449 PolarHBondContact O-N 3.06Å; M446-I449 WeakPolarHBondContact O-CB 3.31Å; M446-I449 PolarHBondContact O-N 3.05Å; M446-I449 VanDerWaalsContact O-N 3.13Å; M446-I449 HydrophobicContact SD-CD1 4.09Å; R447-I449 VanDerWaalsContact C-N 3.33Å; I449-N451 PolarHBondContact O-N 3.23Å; I449-R452 PolarHBondContact O-N 3.31Å; I449-R452 VanDerWaalsContact O-N 3.12Å; I449-I453 HydrophobicContact CG2-CD1 3.56Å; I449-I453 WeakPolarHBondContact O-CB 3.26Å; I449-I453 PolarHBondContact O-N 3.25Å; I449-M458 HydrophobicContact CB-CE 3.8Å; I449-M458 HydrophobicContact CG2-CE 3.46Å; I449-M458 VanDerWaalsContact CG2-CE 3.46Å; I449-F492 HydrophobicContact CD1-CE1 4.45Å; I449-I496 HydrophobicContact CG2-CD1 4.17Å; I449-I504 HydrophobicContact CG2-CD1 4.47Å; I449-L507 HydrophobicContact CG1-CD2 3.83Å; I449-I508 HydrophobicContact CD1-CD1 4.44Å
450E90.8Very high91.2Very high26 Ų2635.2 Ų35.212%0.12117%0.17CC..Hα-helixtrans-52.7-53.5172175.6-173.6-13800111.1Y365 M446 R447 R452 I453 S454 M458Y365-E450 HydrophobicContact CE2-CB 4.42Å; Y365-E450 HydrophobicContact CE2-CG 4.5Å; Y365-E450 WeakPolarHBondContact CE2-OE2 3.49Å; Y365-E450 PolarHBondContact OH-OE1 2.86Å; M446-E450 PolarHBondContact O-N 3.21Å; R447-E450 PolarHBondContact O-N 3.24Å; E450-R452 PolarHBondContact O-N 3.46Å; E450-I453 PolarHBondContact O-N 3.17Å; E450-S454 PolarHBondContact O-N 2.58Å; E450-M458 HydrophobicContact CB-CE 4.08Å; E450-M458 HydrophobicContact CB-SD 4.35Å
451N88.9Confident91.2Very high70 Ų7035.1 Ų35.137%0.37417%0.169SC..Hα-helixtrans-58-16.7179.3-75.4-29.6000114.6R447 I449R447-N451 WeakPolarHBondContact O-CB 3.13Å; R447-N451 VanDerWaalsContact O-CG 3.26Å; R447-N451 PolarHBondContact O-N 3.19Å; R447-N451 PolarHBondContact O-ND2 3.09Å; I449-N451 PolarHBondContact O-N 3.23Å
452R86.9Confident91.2Very high109 Ų10935.1 Ų35.141%0.41117%0.169SC..Hα-helixtrans-99.6-27.4175-65.9-60.3-170.6-158.3-1113.4L448 I449 E450 K502 L507L448-R452 WeakPolarHBondContact O-CG 3.47Å; L448-R452 PolarHBondContact O-N 3.3Å; I449-R452 PolarHBondContact O-N 3.31Å; I449-R452 VanDerWaalsContact O-N 3.12Å; E450-R452 PolarHBondContact O-N 3.46Å; R452-K502 WeakPolarHBondContact O-CD 3.44Å; R452-K502 PolarHBondContact O-NZ 3.43Å; R452-L507 HydrophobicContact CG-CD2 4.39Å
453I89.1Confident91.2Very high4 Ų437.9 Ų37.92%0.02118%0.184CC..Hα-helixtrans-111.1-26.1-167.7-76.9149.1000113.6I449 E450 F457 I496 K502 I504I449-I453 HydrophobicContact CG2-CD1 3.56Å; I449-I453 WeakPolarHBondContact O-CB 3.26Å; I449-I453 PolarHBondContact O-N 3.25Å; E450-I453 PolarHBondContact O-N 3.17Å; I453-F457 HydrophobicContact CG2-CB 3.51Å; I453-F457 HydrophobicContact CG2-CG 4.47Å; I453-F457 WeakPolarHBondContact O-CD2 3.48Å; I453-I496 HydrophobicContact CD1-CG2 3.36Å; I453-I496 HydrophobicContact CG1-CG2 4.37Å; I453-K502 HydrophobicContact CG1-CD 4.17Å; I453-I504 HydrophobicContact CD1-CD1 4.5Å; I453-I504 HydrophobicContact CD1-CG2 3.66Å; I453-I504 HydrophobicContact CG1-CG2 4.44Å
454S90.6Very high91Very high63 Ų6341.3 Ų41.344%0.44120%0.199SC..  trans80.3150.6-162.5-166.50000114.1E450 M458E450-S454 PolarHBondContact O-N 2.58Å; S454-M458 PolarHBondContact O-N 3.47Å
455M90.2Very high91Very high78 Ų7841.9 Ų41.938%0.38420%0.202SC..Hα-helixtrans-60.9-44.3-177.9-176.3179.369.500111.9L369 F457 M458 L459L369-M455 HydrophobicContact CD2-SD 4.46Å; M455-F457 PolarHBondContact O-N 3.25Å; M455-M458 WeakPolarHBondContact O-CA 3.44Å; M455-M458 WeakPolarHBondContact O-CB 3.43Å; M455-M458 PolarHBondContact O-N 3.07Å; M455-L459 HydrophobicContact CG-CD1 4.47Å; M455-L459 HydrophobicContact CG-CG 4.42Å; M455-L459 WeakPolarHBondContact O-CG 3.3Å; M455-L459 PolarHBondContact O-N 3.26Å
456E90.5Very high90.9Very high127 Ų12741.8 Ų41.859%0.59320%0.202SC*.Hα-helixtrans-55.6-51.1-178.1-61.9177.3169.200112.7M458 L459 Q460E456-M458 PolarHBondContact O-N 3.19Å; E456-L459 PolarHBondContact O-N 3.35Å; E456-Q460 WeakPolarHBondContact O-CG 3.03Å; E456-Q460 PolarHBondContact O-N 3.12Å
457F92.3Very high90.7Very high76 Ų7644.1 Ų44.133%0.33322%0.218SC..Hα-helixtrans-65.8-28.1177.8-70.1-70.2000112.1I453 M455 V461 V499I453-F457 HydrophobicContact CG2-CB 3.51Å; I453-F457 HydrophobicContact CG2-CG 4.47Å; I453-F457 WeakPolarHBondContact O-CD2 3.48Å; M455-F457 PolarHBondContact O-N 3.25Å; F457-V461 WeakPolarHBondContact O-CG2 3.3Å; F457-V461 PolarHBondContact O-N 2.77Å; F457-V461 VanDerWaalsContact O-N 3.07Å; F457-V499 HydrophobicContact CB-CG1 4.34Å; F457-V499 HydrophobicContact CD1-CG1 3.94Å
458M91.8Very high90.6Very high7 Ų746.8 Ų46.83%0.03423%0.233CC..Hα-helixtrans-70.4-42172.7-176.5167.7-71.900111.8Y365 M446 I449 E450 S454 M455 E456 V461 F462Y365-M458 HydrophobicContact CD1-SD 3.96Å; Y365-M458 HydrophobicContact CE1-CG 4.35Å; Y365-M458 HydrophobicContact CE1-SD 3.54Å; Y365-M458 VanDerWaalsContact CE1-SD 3.54Å; Y365-M458 HydrophobicContact CE2-SD 4.43Å; M446-M458 HydrophobicContact CE-CE 3.97Å; M446-M458 HydrophobicContact CE-SD 3.82Å; I449-M458 HydrophobicContact CB-CE 3.8Å; I449-M458 HydrophobicContact CG2-CE 3.46Å; I449-M458 VanDerWaalsContact CG2-CE 3.46Å; E450-M458 HydrophobicContact CB-CE 4.08Å; E450-M458 HydrophobicContact CB-SD 4.35Å; S454-M458 PolarHBondContact O-N 3.47Å; M455-M458 WeakPolarHBondContact O-CA 3.44Å; M455-M458 WeakPolarHBondContact O-CB 3.43Å; M455-M458 PolarHBondContact O-N 3.07Å; E456-M458 PolarHBondContact O-N 3.19Å; M458-V461 WeakPolarHBondContact O-CB 3.4Å; M458-V461 PolarHBondContact O-N 3.03Å; M458-F462 HydrophobicContact CG-CD2 4.42Å; M458-F462 HydrophobicContact CG-CE1 3.85Å; M458-F462 HydrophobicContact CG-CE2 3.67Å; M458-F462 HydrophobicContact CG-CZ 3.34Å; M458-F462 WeakPolarHBondContact O-CG 3.48Å; M458-F462 PolarHBondContact O-N 3.15Å; M458-F462 HydrophobicContact SD-CE2 4.23Å; M458-F462 HydrophobicContact SD-CZ 3.7Å
459L91.2Very high90.6Very high37 Ų3746.6 Ų46.619%0.19423%0.233CC..Hα-helixtrans-64.6-40.2173.8-60.4-172.6000111.8I283 M455 E456 V461 F462 N463I283-L459 HydrophobicContact CG2-CD1 4.33Å; I283-L459 HydrophobicContact CG2-CD2 3.63Å; M455-L459 HydrophobicContact CG-CD1 4.47Å; M455-L459 HydrophobicContact CG-CG 4.42Å; M455-L459 WeakPolarHBondContact O-CG 3.3Å; M455-L459 PolarHBondContact O-N 3.26Å; E456-L459 PolarHBondContact O-N 3.35Å; L459-V461 VanDerWaalsContact C-N 3.29Å; L459-V461 PolarHBondContact O-N 3.15Å; L459-F462 HydrophobicContact CD2-CD2 4Å; L459-F462 HydrophobicContact CD2-CE2 4.33Å; L459-F462 PolarHBondContact O-N 3Å; L459-F462 VanDerWaalsContact O-N 3.1Å; L459-N463 PolarHBondContact O-N 3.47Å
460Q91.4Very high90.5Very high98 Ų9848.9 Ų48.946%0.45825%0.249SC..Hα-helixtrans-58.8-38.5171.7-70.3173.421.500112.3E456 K464 V499E456-Q460 WeakPolarHBondContact O-CG 3.03Å; E456-Q460 PolarHBondContact O-N 3.12Å; Q460-K464 WeakPolarHBondContact O-CB 3.36Å; Q460-K464 PolarHBondContact O-N 2.67Å; Q460-V499 HydrophobicContact CB-CG1 4.02Å
461V92.3Very high90.3Very high3 Ų351.5 Ų51.52%0.01827%0.266CS..Hα-helixtrans-64.9-42.5172.8167.90000111.2F457 M458 L459 K464 L465 F492 I496 V499F457-V461 WeakPolarHBondContact O-CG2 3.3Å; F457-V461 PolarHBondContact O-N 2.77Å; F457-V461 VanDerWaalsContact O-N 3.07Å; M458-V461 WeakPolarHBondContact O-CB 3.4Å; M458-V461 PolarHBondContact O-N 3.03Å; L459-V461 VanDerWaalsContact C-N 3.29Å; L459-V461 PolarHBondContact O-N 3.15Å; V461-K464 PolarHBondContact O-N 3.21Å; V461-L465 HydrophobicContact CG1-CD1 4.11Å; V461-L465 VanDerWaalsContact O-CG 3.3Å; V461-L465 WeakPolarHBondContact O-CG 3.37Å; V461-L465 PolarHBondContact O-N 2.97Å; V461-F492 HydrophobicContact CG1-CD2 4.48Å; V461-F492 HydrophobicContact CG1-CE2 4.09Å; V461-I496 HydrophobicContact CG1-CG1 4.01Å; V461-I496 HydrophobicContact CG2-CG1 4.07Å; V461-V499 HydrophobicContact CG2-CB 3.81Å; V461-V499 HydrophobicContact CG2-CG1 4.01Å; V461-V499 HydrophobicContact CG2-CG2 3.9Å
462F92.4Very high90.2Very high1 Ų148.1 Ų48.10%0.00425%0.248CC..Hα-helixtrans-66.2-46.7179.2-60.3-21.8000112.8L284 F344 I362 Y365 I366 M446 M458 L459 K464 L465 L466 F492L284-F462 HydrophobicContact CD2-CB 4.16Å; L284-F462 HydrophobicContact CD2-CD2 4.43Å; F344-F462 HydrophobicContact CZ-CB 4.32Å; I362-F462 HydrophobicContact CB-CE1 4.41Å; I362-F462 HydrophobicContact CD1-CD1 4.4Å; I362-F462 HydrophobicContact CD1-CE1 4.01Å; I362-F462 HydrophobicContact CG1-CE1 3.74Å; I362-F462 HydrophobicContact CG1-CZ 4.2Å; I362-F462 HydrophobicContact CG2-CD1 4.17Å; I362-F462 HydrophobicContact CG2-CE1 3.84Å; I362-F462 HydrophobicContact CG2-CE2 4.35Å; I362-F462 HydrophobicContact CG2-CZ 3.93Å; Y365-F462 AromaticContact CD1-CE2 3.79Å; Y365-F462 HydrophobicContact CD1-CE2 3.79Å; Y365-F462 AromaticContact CD1-CZ 3.99Å; Y365-F462 HydrophobicContact CD1-CZ 3.99Å; Y365-F462 AromaticContact CE1-CE2 3.94Å; Y365-F462 HydrophobicContact CE1-CE2 3.94Å; Y365-F462 HydrophobicContact CE1-CZ 4.34Å; I366-F462 HydrophobicContact CG1-CE2 4.34Å; M446-F462 HydrophobicContact CE-CE1 3.89Å; M446-F462 HydrophobicContact CE-CZ 3.66Å; M458-F462 HydrophobicContact CG-CD2 4.42Å; M458-F462 HydrophobicContact CG-CE1 3.85Å; M458-F462 HydrophobicContact CG-CE2 3.67Å; M458-F462 HydrophobicContact CG-CZ 3.34Å; M458-F462 WeakPolarHBondContact O-CG 3.48Å; M458-F462 PolarHBondContact O-N 3.15Å; M458-F462 HydrophobicContact SD-CE2 4.23Å; M458-F462 HydrophobicContact SD-CZ 3.7Å; L459-F462 HydrophobicContact CD2-CD2 4Å; L459-F462 HydrophobicContact CD2-CE2 4.33Å; L459-F462 PolarHBondContact O-N 3Å; L459-F462 VanDerWaalsContact O-N 3.1Å; F462-K464 VanDerWaalsContact C-N 3.32Å; F462-K464 PolarHBondContact O-N 2.8Å; F462-L465 PolarHBondContact O-N 3.38Å; F462-L465 VanDerWaalsContact O-N 3.14Å; F462-L466 WeakPolarHBondContact O-CG 3.42Å; F462-L466 PolarHBondContact O-N 3.21Å; F462-F492 HydrophobicContact CE1-CE2 4.5Å
463N91.7Very high90.1Very high57 Ų5743.9 Ų43.931%0.30524%0.235SC..Hα-helixtrans-57.4-45.7172.6176.4-16.1000110.4T285 L459 L465 L466 S467T285-N463 PolarHBondContact OG1-ND2 2.96Å; L459-N463 PolarHBondContact O-N 3.47Å; N463-L465 VanDerWaalsContact C-N 3.27Å; N463-L465 PolarHBondContact O-N 2.89Å; N463-L466 PolarHBondContact O-N 3.06Å; N463-L466 VanDerWaalsContact O-N 3.16Å; N463-S467 WeakPolarHBondContact O-CB 3.23Å; N463-S467 PolarHBondContact O-N 2.79Å; N463-S467 PolarHBondContact O-OG 3.3Å
464K91Very high89.7Confident75 Ų7548 Ų4833%0.32627%0.265SS..Hα-helixtrans-59.1-34.4176.8-175.5174.9-179.5178.20113.5Q460 V461 F462 S467 L468 V499Q460-K464 WeakPolarHBondContact O-CB 3.36Å; Q460-K464 PolarHBondContact O-N 2.67Å; V461-K464 PolarHBondContact O-N 3.21Å; F462-K464 VanDerWaalsContact C-N 3.32Å; F462-K464 PolarHBondContact O-N 2.8Å; K464-S467 WeakPolarHBondContact CA-OG 3.24Å; K464-S467 PolarHBondContact O-OG 3.49Å; K464-L468 HydrophobicContact CG-CD1 4.49Å; K464-L468 WeakPolarHBondContact O-CB 3.44Å; K464-L468 WeakPolarHBondContact O-CD1 3.05Å; K464-L468 WeakPolarHBondContact O-CG 3.26Å; K464-L468 PolarHBondContact O-N 3.45Å; K464-V499 HydrophobicContact CD-CG2 3.89Å
465L91Very high89.2Confident19 Ų1948 Ų4810%0.09926%0.258CS..Hα-helixtrans-73.2-44.3174.3-67.5169.7000111.8I348 V461 F462 N463 L468 A469 L487 F492I348-L465 HydrophobicContact CD1-CB 3.98Å; V461-L465 HydrophobicContact CG1-CD1 4.11Å; V461-L465 VanDerWaalsContact O-CG 3.3Å; V461-L465 WeakPolarHBondContact O-CG 3.37Å; V461-L465 PolarHBondContact O-N 2.97Å; F462-L465 PolarHBondContact O-N 3.38Å; F462-L465 VanDerWaalsContact O-N 3.14Å; N463-L465 VanDerWaalsContact C-N 3.27Å; N463-L465 PolarHBondContact O-N 2.89Å; L465-L468 PolarHBondContact O-N 3.47Å; L465-A469 WeakPolarHBondContact O-CB 3.12Å; L465-A469 PolarHBondContact O-N 2.99Å; L465-L487 HydrophobicContact CD1-CD2 4.31Å; L465-L487 HydrophobicContact CD2-CD1 3.84Å; L465-F492 HydrophobicContact CD1-CD2 3.99Å; L465-F492 HydrophobicContact CD1-CE2 4.19Å
466L90.9Very high88.1Confident0 Ų052.9 Ų52.90%028%0.277CS..Hα-helixtrans-67.3-39.7-179.9-72.1167.1000112.7L284 C286 F343 F344 F347 I348 F462 N463 A469 S470L284-L466 HydrophobicContact CB-CD1 3.85Å; L284-L466 HydrophobicContact CD1-CD1 4Å; L284-L466 HydrophobicContact CD2-CD1 3.98Å; L284-L466 HydrophobicContact CG-CD1 4.15Å; C286-L466 HydrophobicContact CB-CD1 4.35Å; F343-L466 HydrophobicContact CD1-CD2 4.12Å; F344-L466 HydrophobicContact CE2-CD1 4.39Å; F344-L466 HydrophobicContact CZ-CD1 3.96Å; F344-L466 HydrophobicContact CZ-CD2 4.15Å; F344-L466 HydrophobicContact CZ-CG 4.01Å; F347-L466 HydrophobicContact CD1-CD2 4.03Å; F347-L466 HydrophobicContact CE1-CD2 4.24Å; I348-L466 HydrophobicContact CD1-CD2 3.66Å; I348-L466 HydrophobicContact CD1-CG 4.06Å; I348-L466 HydrophobicContact CG1-CD2 4.37Å; F462-L466 WeakPolarHBondContact O-CG 3.42Å; F462-L466 PolarHBondContact O-N 3.21Å; N463-L466 PolarHBondContact O-N 3.06Å; N463-L466 VanDerWaalsContact O-N 3.16Å; L466-A469 PolarHBondContact O-N 3.39Å; L466-S470 VanDerWaalsContact O-CB 3.26Å; L466-S470 WeakPolarHBondContact O-CB 3.5Å; L466-S470 PolarHBondContact O-N 3.06Å
467S89.4Confident86.8Confident49 Ų4954.2 Ų54.234%0.34328%0.277SS..Hα-helixtrans-68.3-36.8176.751.40000112.7N463 K464 T471N463-S467 WeakPolarHBondContact O-CB 3.23Å; N463-S467 PolarHBondContact O-N 2.79Å; N463-S467 PolarHBondContact O-OG 3.3Å; K464-S467 WeakPolarHBondContact CA-OG 3.24Å; K464-S467 PolarHBondContact O-OG 3.49Å; S467-T471 WeakPolarHBondContact O-CB 3.3Å; S467-T471 PolarHBondContact O-N 2.57Å; S467-T471 PolarHBondContact O-OG1 3.22Å
468L89.4Confident85.6Confident78 Ų7855.5 Ų55.541%0.40828%0.284SS..Hα-helixtrans-63.7-46.8169.4-74.7171.2000111.5K464 L465 T471 A472K464-L468 HydrophobicContact CG-CD1 4.49Å; K464-L468 WeakPolarHBondContact O-CB 3.44Å; K464-L468 WeakPolarHBondContact O-CD1 3.05Å; K464-L468 WeakPolarHBondContact O-CG 3.26Å; K464-L468 PolarHBondContact O-N 3.45Å; L465-L468 PolarHBondContact O-N 3.47Å; L468-T471 PolarHBondContact O-N 2.91Å; L468-A472 WeakPolarHBondContact O-CB 3.41Å; L468-A472 PolarHBondContact O-N 3.44Å
469A89.3Confident84.2Confident1 Ų156.4 Ų56.41%0.00829%0.291CS..Hα-helixtrans-63.3-41.6177.800000112.3F347 I348 L465 L466 A472 S473 M485F347-A469 HydrophobicContact CD1-CB 4.25Å; F347-A469 HydrophobicContact CE1-CB 3.59Å; F347-A469 HydrophobicContact CZ-CB 3.96Å; I348-A469 HydrophobicContact CG1-CB 3.88Å; L465-A469 WeakPolarHBondContact O-CB 3.12Å; L465-A469 PolarHBondContact O-N 2.99Å; L466-A469 PolarHBondContact O-N 3.39Å; A469-A472 PolarHBondContact O-N 3.2Å; A469-S473 WeakPolarHBondContact O-CB 3.34Å; A469-S473 PolarHBondContact O-N 3.41Å; A469-S473 PolarHBondContact O-OG 2.67Å; A469-M485 HydrophobicContact CB-CB 4.42Å; A469-M485 HydrophobicContact CB-CG 4.02Å
470S88.6Confident83.1Confident49 Ų4960.7 Ų60.734%0.34331%0.31SS..Hα-helixtrans-61.2-50.5174.9-177.20000111.5L466 A472 S473 S474L466-S470 VanDerWaalsContact O-CB 3.26Å; L466-S470 WeakPolarHBondContact O-CB 3.5Å; L466-S470 PolarHBondContact O-N 3.06Å; S470-A472 PolarHBondContact O-N 3.45Å; S470-S473 PolarHBondContact O-N 3.46Å; S470-S473 PolarHBondContact O-OG 3.47Å; S470-S474 PolarHBondContact O-N 3.49Å; S470-S474 PolarHBondContact O-OG 3.39Å
471T88.1Confident82.4Confident80 Ų8058 Ų5849%0.49130%0.298SS..Hα-helixtrans-57.4-35.9175.8-55.70000112.8S467 L468S467-T471 WeakPolarHBondContact O-CB 3.3Å; S467-T471 PolarHBondContact O-N 2.57Å; S467-T471 PolarHBondContact O-OG1 3.22Å; L468-T471 PolarHBondContact O-N 2.91Å
472A86.3Confident81.9Confident0 Ų058.3 Ų58.30%030%0.299CS..Hα-helixtrans-75.4-44.1176.600000112.6L468 A469 S470 S474 Q475 M481 Q484 M485L468-A472 WeakPolarHBondContact O-CB 3.41Å; L468-A472 PolarHBondContact O-N 3.44Å; A469-A472 PolarHBondContact O-N 3.2Å; S470-A472 PolarHBondContact O-N 3.45Å; A472-S474 PolarHBondContact O-N 3.3Å; A472-Q475 PolarHBondContact O-N 3.31Å; A472-M481 WeakPolarHBondContact CB-O 3.43Å; A472-Q484 HydrophobicContact CB-CB 4.09Å; A472-M485 HydrophobicContact CB-CG 3.87Å; A472-M485 HydrophobicContact CB-SD 4.43Å
473S85.6Confident81.3Confident20 Ų2060.3 Ų60.314%0.1431%0.313CS..Hα-helixtrans-65.2-36.3-178.470.80000113.1A469 S470 Q475A469-S473 WeakPolarHBondContact O-CB 3.34Å; A469-S473 PolarHBondContact O-N 3.41Å; A469-S473 PolarHBondContact O-OG 2.67Å; S470-S473 PolarHBondContact O-N 3.46Å; S470-S473 PolarHBondContact O-OG 3.47Å; S473-Q475 PolarHBondContact O-N 3.42Å
474S80.1Confident80.9Confident91 Ų9162.1 Ų62.164%0.63632%0.32SS*.THydrogen-bonded Turntrans-66.9-15.2178-55.30000114.4S470 A472S470-S474 PolarHBondContact O-N 3.49Å; S470-S474 PolarHBondContact O-OG 3.39Å; A472-S474 PolarHBondContact O-N 3.3Å
475Q80Confident80.7Confident62 Ų6258.6 Ų58.629%0.2931%0.305SS..SBendtrans-89.8113.4-177.3-66.9-16538.700112.4A472 S473 Y477 M481 W482A472-Q475 PolarHBondContact O-N 3.31Å; S473-Q475 PolarHBondContact O-N 3.42Å; Q475-Y477 PolarHBondContact O-N 2.94Å; Q475-M481 VanDerWaalsContact NE2-CE 3.29Å; Q475-M481 PolarHBondContact OE1-SD 3.07Å; Q475-M481 VanDerWaalsContact OE1-SD 3.33Å; Q475-W482 PolarHBondContact O-NE1 3.24Å
476K67.8Low80.5Confident180 Ų18058.5 Ų58.578%0.78330%0.304SS*.THydrogen-bonded Turntrans-65.6127.5179.4-63-172.7177.7-176.20111.3Q478K476-Q478 VanDerWaalsContact C-N 3.32Å; K476-Q478 PolarHBondContact O-N 3.43Å
477Y63.2Low80.4Confident155 Ų15558.9 Ų58.961%0.60831%0.306SS*.THydrogen-bonded Turntrans60.317.8169-53.7-70.3000118.3Q475 S479Q475-Y477 PolarHBondContact O-N 2.94Å; Y477-S479 PolarHBondContact O-N 2.78Å
478Q65.3Low80.3Confident103 Ų10357.5 Ų57.548%0.48130%0.296SS..  trans-98.281.2172.4-64.9-157.236.600112.6K476 H480 M481 W482K476-Q478 VanDerWaalsContact C-N 3.32Å; K476-Q478 PolarHBondContact O-N 3.43Å; Q478-H480 PolarHBondContact O-N 3.33Å; Q478-M481 HydrophobicContact CB-CB 4.4Å; Q478-M481 HydrophobicContact CB-CG 4.43Å; Q478-M481 PolarHBondContact O-N 3.31Å; Q478-W482 PolarHBondContact O-N 2.99Å
479S62.6Low80.2Confident26 Ų2654.1 Ų54.118%0.18228%0.279CS..THydrogen-bonded Turntrans-65.10.2-178.370.60000115.7K16 Y477K16-S479 WeakPolarHBondContact CD-OG 3.39Å; K16-S479 PolarHBondContact NZ-O 3Å; Y477-S479 PolarHBondContact O-N 2.78Å
480H68.8Low80.1Confident128 Ų12860.1 Ų60.159%0.59331%0.306SS*.THydrogen-bonded Turntrans-97.1-10.8169.3-73.8-100.3000113.4K16 Q478 S483K16-H480 PolarHBondContact NZ-CD2 3.24Å; K16-H480 VanDerWaalsContact NZ-CD2 3.32Å; K16-H480 PolarHBondContact NZ-CE1 2.91Å; K16-H480 PolarHBondContact NZ-NE2 3.41Å; K16-H480 VanDerWaalsContact NZ-NE2 3.17Å; Q478-H480 PolarHBondContact O-N 3.33Å; H480-S483 PolarHBondContact O-OG 3Å; H480-S483 VanDerWaalsContact O-OG 3.14Å
481M76.8Confident80Confident42 Ų4259.6 Ų59.621%0.20731%0.305CS..THydrogen-bonded Turntrans-99.3-31.5174.2-67.7-163.858.700112.1A472 Q475 Q478 S483 Q484A472-M481 WeakPolarHBondContact CB-O 3.43Å; Q475-M481 VanDerWaalsContact NE2-CE 3.29Å; Q475-M481 PolarHBondContact OE1-SD 3.07Å; Q475-M481 VanDerWaalsContact OE1-SD 3.33Å; Q478-M481 HydrophobicContact CB-CB 4.4Å; Q478-M481 HydrophobicContact CB-CG 4.43Å; Q478-M481 PolarHBondContact O-N 3.31Å; M481-S483 PolarHBondContact O-N 3.48Å; M481-S483 VanDerWaalsContact O-N 3.11Å; M481-Q484 VanDerWaalsContact O-CB 3.27Å; M481-Q484 WeakPolarHBondContact O-CB 3.44Å; M481-Q484 WeakPolarHBondContact O-CG 3.45Å; M481-Q484 PolarHBondContact O-N 3.04Å
482W81.2Confident80.1Confident9 Ų955.9 Ų55.93%0.03428%0.282CS..G310 helixtrans-57.3-25.8174.1-58.4-17.3000113.5L188 T190 P230 Q475 Q478 Q484 M485L188-W482 HydrophobicContact CD1-CB 4.35Å; L188-W482 WeakPolarHBondContact CD1-O 3.34Å; T190-W482 HydrophobicContact CG2-CH2 4.19Å; T190-W482 HydrophobicContact CG2-CZ2 4.48Å; P230-W482 HydrophobicContact CB-CD2 3.78Å; P230-W482 HydrophobicContact CB-CE3 3.91Å; P230-W482 HydrophobicContact CB-CG 4.2Å; P230-W482 HydrophobicContact CB-CH2 4.4Å; P230-W482 HydrophobicContact CB-CZ2 4.29Å; P230-W482 HydrophobicContact CB-CZ3 4.22Å; P230-W482 HydrophobicContact CG-CD2 3.98Å; P230-W482 HydrophobicContact CG-CG 3.97Å; Q475-W482 PolarHBondContact O-NE1 3.24Å; Q478-W482 PolarHBondContact O-N 2.99Å; W482-Q484 PolarHBondContact O-N 3.01Å; W482-M485 WeakPolarHBondContact O-CB 3.38Å; W482-M485 PolarHBondContact O-N 3.24Å
483S79.9Confident80.2Confident43 Ų4357.6 Ų57.630%0.30129%0.291SS..G310 helixtrans-63.9-8172.354.10000114.5H480 M481 M485 L486H480-S483 PolarHBondContact O-OG 3Å; H480-S483 VanDerWaalsContact O-OG 3.14Å; M481-S483 PolarHBondContact O-N 3.48Å; M481-S483 VanDerWaalsContact O-N 3.11Å; S483-M485 VanDerWaalsContact C-N 3.33Å; S483-L486 PolarHBondContact O-N 3.28Å
484Q83.8Confident80.4Confident94 Ų9460.8 Ų60.844%0.43930%0.303SS..G310 helixtrans-78.8-15.4169.5-59.4178.612.500112.9A472 M481 W482 L486A472-Q484 HydrophobicContact CB-CB 4.09Å; M481-Q484 VanDerWaalsContact O-CB 3.27Å; M481-Q484 WeakPolarHBondContact O-CB 3.44Å; M481-Q484 WeakPolarHBondContact O-CG 3.45Å; M481-Q484 PolarHBondContact O-N 3.04Å; W482-Q484 PolarHBondContact O-N 3.01Å; Q484-L486 VanDerWaalsContact C-N 3.27Å
485M86.4Confident80.8Confident2 Ų257 Ų571%0.0128%0.276CS..SBendtrans-80.5-10.5169.1-58.3169.563.500112.4L188 P230 F347 S349 A469 A472 W482 S483L188-M485 HydrophobicContact CD1-CB 3.81Å; L188-M485 HydrophobicContact CD1-SD 4.27Å; P230-M485 HydrophobicContact CG-CE 4.24Å; P230-M485 HydrophobicContact CG-SD 3.77Å; F347-M485 HydrophobicContact CD2-CE 4.06Å; F347-M485 HydrophobicContact CE2-CE 3.97Å; F347-M485 WeakPolarHBondContact O-CE 3.44Å; S349-M485 PolarHBondContact N-O 2.64Å; S349-M485 VanDerWaalsContact N-O 3.07Å; A469-M485 HydrophobicContact CB-CB 4.42Å; A469-M485 HydrophobicContact CB-CG 4.02Å; A472-M485 HydrophobicContact CB-CG 3.87Å; A472-M485 HydrophobicContact CB-SD 4.43Å; W482-M485 WeakPolarHBondContact O-CB 3.38Å; W482-M485 PolarHBondContact O-N 3.24Å; S483-M485 VanDerWaalsContact C-N 3.33Å
486L87.1Confident81.3Confident17 Ų1754.2 Ų54.29%0.08926%0.263CS..EExtended strand (participates in β ladder)trans-88120.8175.4-57.7177.6000110S186 L188 S349 M351 S483 Q484S186-L486 WeakPolarHBondContact O-CD1 3.25Å; L188-L486 HydrophobicContact CD1-CD2 3.89Å; L188-L486 HydrophobicContact CD1-CG 4.18Å; L188-L486 HydrophobicContact CD2-CD2 4.28Å; L188-L486 HydrophobicContact CG-CD2 4.02Å; S349-L486 CarbonylContact O-C 3.55Å; S349-L486 WeakPolarHBondContact O-CA 3Å; M351-L486 HydrophobicContact CE-CB 3.91Å; M351-L486 HydrophobicContact CG-CB 3.63Å; M351-L486 HydrophobicContact CG-CD1 4.45Å; S483-L486 PolarHBondContact O-N 3.28Å; Q484-L486 VanDerWaalsContact C-N 3.27Å
487L88.3Confident82.4Confident7 Ų748.2 Ų48.24%0.03724%0.244CC..EExtended strand (participates in β ladder)trans-94.2135.7174.3-166.256.2000109.9I348 S349 M351 V358 L359 I362 L465 A491 F492I348-L487 HydrophobicContact CG2-CB 3.87Å; I348-L487 HydrophobicContact CG2-CD2 4.18Å; S349-L487 PolarHBondContact O-N 2.69Å; M351-L487 PolarHBondContact N-O 3.31Å; V358-L487 HydrophobicContact CB-CD2 4.47Å; V358-L487 HydrophobicContact CG1-CD2 3.56Å; V358-L487 HydrophobicContact CG1-CG 4.28Å; L359-L487 HydrophobicContact CD2-CD2 4.23Å; I362-L487 HydrophobicContact CD1-CD2 4.33Å; L465-L487 HydrophobicContact CD1-CD2 4.31Å; L465-L487 HydrophobicContact CD2-CD1 3.84Å; L487-A491 HydrophobicContact CD1-CB 4.43Å; L487-F492 HydrophobicContact CD1-CB 3.97Å; L487-F492 HydrophobicContact CD2-CD2 4.45Å; L487-F492 HydrophobicContact CG-CB 4.38Å
488S88.4Confident83.7Confident20 Ų2046.2 Ų46.214%0.1424%0.244CC..  trans-122.1158.4163.352.50000109.6M351 H490 A491 F492M351-S488 VanDerWaalsContact SD-CB 3.58Å; M351-S488 PolarHBondContact SD-OG 3.12Å; S488-H490 VanDerWaalsContact C-N 3.28Å; S488-H490 PolarHBondContact O-N 2.85Å; S488-A491 PolarHBondContact O-N 3.28Å; S488-A491 WeakPolarHBondContact OG-CB 3.41Å; S488-A491 PolarHBondContact OG-N 3.39Å; S488-F492 PolarHBondContact O-N 2.7Å
489T87.1Confident84.8Confident7 Ų742.8 Ų42.84%0.04323%0.23CC..Hα-helixtrans-49.9-49.8175.2-580000110.5D355 W357 A491 F492 L493D355-T489 WeakPolarHBondContact OD1-CB 3.25Å; D355-T489 PolarHBondContact OD1-N 3.18Å; D355-T489 PolarHBondContact OD1-OG1 3.07Å; W357-T489 HydrophobicContact CZ2-CG2 3.88Å; W357-T489 PolarHBondContact NE1-OG1 2.81Å; T489-A491 PolarHBondContact O-N 3Å; T489-F492 WeakPolarHBondContact O-CB 3.44Å; T489-F492 PolarHBondContact O-N 2.99Å; T489-L493 HydrophobicContact CG2-CD1 4.04Å; T489-L493 HydrophobicContact CG2-CG 4.43Å; T489-L493 VanDerWaalsContact O-CG 3.25Å; T489-L493 WeakPolarHBondContact O-CG 3.26Å; T489-L493 PolarHBondContact O-N 3.39Å
490H86.7Confident86.1Confident127 Ų12742.6 Ų42.659%0.58823%0.228SC*.Hα-helixtrans-62.4-39.6178.1179.6-106.8000113.6S488 K494S488-H490 VanDerWaalsContact C-N 3.28Å; S488-H490 PolarHBondContact O-N 2.85Å; H490-K494 VanDerWaalsContact O-CB 3.25Å; H490-K494 WeakPolarHBondContact O-CB 3.45Å; H490-K494 PolarHBondContact O-N 2.83Å
491A87.1Confident86.8Confident39 Ų3939.9 Ų39.932%0.32224%0.235SC..Hα-helixtrans-66.6-39.5176.300000112.1L487 S488 T489 K494 S495L487-A491 HydrophobicContact CD1-CB 4.43Å; S488-A491 PolarHBondContact O-N 3.28Å; S488-A491 WeakPolarHBondContact OG-CB 3.41Å; S488-A491 PolarHBondContact OG-N 3.39Å; T489-A491 PolarHBondContact O-N 3Å; A491-K494 PolarHBondContact O-N 3.13Å; A491-S495 PolarHBondContact O-N 3.37Å
492F89.3Confident87.2Confident1 Ų142.4 Ų42.40%0.00425%0.245CC..Hα-helixtrans-62.1-50.6175.7-177.3-124.5000111.8V358 I362 M446 I449 V461 F462 L465 L487 S488 T489 K494 S495 I496V358-F492 HydrophobicContact CG1-CB 4.19Å; V358-F492 HydrophobicContact CG1-CD1 3.65Å; V358-F492 HydrophobicContact CG1-CD2 3.99Å; V358-F492 HydrophobicContact CG1-CE1 3.91Å; V358-F492 HydrophobicContact CG1-CE2 4.25Å; V358-F492 HydrophobicContact CG1-CG 3.69Å; V358-F492 HydrophobicContact CG1-CZ 4.19Å; V358-F492 HydrophobicContact CG2-CD1 4.19Å; I362-F492 HydrophobicContact CD1-CD2 4.4Å; I362-F492 HydrophobicContact CD1-CE2 3.76Å; I362-F492 HydrophobicContact CD1-CZ 4.07Å; I362-F492 HydrophobicContact CG1-CE2 4.45Å; I362-F492 HydrophobicContact CG1-CZ 4.32Å; M446-F492 HydrophobicContact CE-CZ 3.98Å; M446-F492 HydrophobicContact SD-CE1 3.99Å; M446-F492 HydrophobicContact SD-CZ 3.84Å; I449-F492 HydrophobicContact CD1-CE1 4.45Å; V461-F492 HydrophobicContact CG1-CD2 4.48Å; V461-F492 HydrophobicContact CG1-CE2 4.09Å; F462-F492 HydrophobicContact CE1-CE2 4.5Å; L465-F492 HydrophobicContact CD1-CD2 3.99Å; L465-F492 HydrophobicContact CD1-CE2 4.19Å; L487-F492 HydrophobicContact CD1-CB 3.97Å; L487-F492 HydrophobicContact CD2-CD2 4.45Å; L487-F492 HydrophobicContact CG-CB 4.38Å; S488-F492 PolarHBondContact O-N 2.7Å; T489-F492 WeakPolarHBondContact O-CB 3.44Å; T489-F492 PolarHBondContact O-N 2.99Å; F492-K494 VanDerWaalsContact C-N 3.34Å; F492-K494 PolarHBondContact O-N 2.78Å; F492-S495 WeakPolarHBondContact O-CA 3.45Å; F492-S495 WeakPolarHBondContact O-CB 3.34Å; F492-S495 PolarHBondContact O-N 2.74Å; F492-I496 HydrophobicContact CD1-CD1 3.93Å; F492-I496 HydrophobicContact CD2-CD1 4.3Å; F492-I496 HydrophobicContact CE1-CD1 3.58Å; F492-I496 HydrophobicContact CE2-CD1 3.97Å; F492-I496 HydrophobicContact CE2-CG1 4.41Å; F492-I496 HydrophobicContact CG-CD1 4.28Å; F492-I496 HydrophobicContact CZ-CD1 3.61Å; F492-I496 HydrophobicContact CZ-CG1 4.48Å; F492-I496 PolarHBondContact O-N 3.23Å
493L88.9Confident87.1Confident36 Ų3648 Ų4819%0.18828%0.275CS..Hα-helixtrans-61.9-40.3177.3-60.8176.9000112.2T489 S495 I496 S497 I504 I508T489-L493 HydrophobicContact CG2-CD1 4.04Å; T489-L493 HydrophobicContact CG2-CG 4.43Å; T489-L493 VanDerWaalsContact O-CG 3.25Å; T489-L493 WeakPolarHBondContact O-CG 3.26Å; T489-L493 PolarHBondContact O-N 3.39Å; L493-S495 VanDerWaalsContact C-N 3.31Å; L493-S495 PolarHBondContact O-N 2.7Å; L493-I496 PolarHBondContact O-N 3.24Å; L493-S497 WeakPolarHBondContact O-CB 3.4Å; L493-S497 PolarHBondContact O-N 3.43Å; L493-I504 HydrophobicContact CD2-CD1 3.42Å; L493-I504 VanDerWaalsContact CD2-CD1 3.42Å; L493-I504 HydrophobicContact CD2-CG1 4.02Å; L493-I508 HydrophobicContact CD1-CG1 3.96Å; L493-I508 HydrophobicContact CD1-CG2 4.24Å; L493-I508 HydrophobicContact CD2-CD1 3.64Å; L493-I508 HydrophobicContact CD2-CG1 3.56Å; L493-I508 HydrophobicContact CG-CG1 4.42Å
494K89.3Confident87.4Confident88 Ų8846.4 Ų46.438%0.38326%0.263SS..Hα-helixtrans-63.1-36.2172.9-169.2173.1-177.1178.40111.2D6 H490 A491 F492 N498D6-K494 IonicContact OD1-NZ 2.8Å; D6-K494 IonicContact OD2-NZ 3.23Å; D6-K494 PolarHBondContact OD2-NZ 2.95Å; H490-K494 VanDerWaalsContact O-CB 3.25Å; H490-K494 WeakPolarHBondContact O-CB 3.45Å; H490-K494 PolarHBondContact O-N 2.83Å; A491-K494 PolarHBondContact O-N 3.13Å; F492-K494 VanDerWaalsContact C-N 3.34Å; F492-K494 PolarHBondContact O-N 2.78Å; K494-N498 WeakPolarHBondContact O-CB 2.78Å; K494-N498 VanDerWaalsContact O-CG 3.23Å; K494-N498 PolarHBondContact O-N 2.88Å; K494-N498 PolarHBondContact O-ND2 3.37Å
495S89.9Confident87.4Confident10 Ų1042.9 Ų42.97%0.0725%0.252CS..Hα-helixtrans-65.8-48.5174.3-160.60000111.7A491 F492 L493 N498 V499A491-S495 PolarHBondContact O-N 3.37Å; F492-S495 WeakPolarHBondContact O-CA 3.45Å; F492-S495 WeakPolarHBondContact O-CB 3.34Å; F492-S495 PolarHBondContact O-N 2.74Å; L493-S495 VanDerWaalsContact C-N 3.31Å; L493-S495 PolarHBondContact O-N 2.7Å; S495-N498 PolarHBondContact O-N 3.26Å; S495-V499 WeakPolarHBondContact O-CG2 3.49Å; S495-V499 PolarHBondContact O-N 3.05Å
496I90.4Very high87.4Confident5 Ų546.7 Ų46.73%0.02628%0.277CS..Hα-helixtrans-60.2-47.6178.6-68.1166.6000112I449 I453 V461 F492 L493 N498 V499 S500 I504I449-I496 HydrophobicContact CG2-CD1 4.17Å; I453-I496 HydrophobicContact CD1-CG2 3.36Å; I453-I496 HydrophobicContact CG1-CG2 4.37Å; V461-I496 HydrophobicContact CG1-CG1 4.01Å; V461-I496 HydrophobicContact CG2-CG1 4.07Å; F492-I496 HydrophobicContact CD1-CD1 3.93Å; F492-I496 HydrophobicContact CD2-CD1 4.3Å; F492-I496 HydrophobicContact CE1-CD1 3.58Å; F492-I496 HydrophobicContact CE2-CD1 3.97Å; F492-I496 HydrophobicContact CE2-CG1 4.41Å; F492-I496 HydrophobicContact CG-CD1 4.28Å; F492-I496 HydrophobicContact CZ-CD1 3.61Å; F492-I496 HydrophobicContact CZ-CG1 4.48Å; F492-I496 PolarHBondContact O-N 3.23Å; L493-I496 PolarHBondContact O-N 3.24Å; I496-N498 VanDerWaalsContact C-N 3.32Å; I496-N498 PolarHBondContact O-N 3.31Å; I496-V499 PolarHBondContact O-N 3.34Å; I496-V499 VanDerWaalsContact O-N 3.15Å; I496-S500 WeakPolarHBondContact O-CB 3.49Å; I496-S500 PolarHBondContact O-N 2.86Å; I496-S500 PolarHBondContact O-OG 3.41Å; I496-I504 HydrophobicContact CB-CD1 4.14Å; I496-I504 HydrophobicContact CD1-CD1 3.72Å; I496-I504 HydrophobicContact CG2-CD1 3.72Å; I496-I504 HydrophobicContact CG2-CG1 4.33Å
497S89.8Confident87.4Confident54 Ų5446.8 Ų46.838%0.37828%0.278SS..Hα-helixtrans-63.8-38.6-179.4-1730000111.6L493 V499 G501L493-S497 WeakPolarHBondContact O-CB 3.4Å; L493-S497 PolarHBondContact O-N 3.43Å; S497-V499 VanDerWaalsContact C-N 3.3Å; S497-V499 PolarHBondContact O-N 2.86Å; S497-G501 WeakPolarHBondContact O-CA 2.98Å; S497-G501 PolarHBondContact O-N 2.95Å
498N90.1Very high87.4Confident113 Ų11346.7 Ų46.760%0.60428%0.277SS*.Hα-helixtrans-68.7-19.6175-77.9-47.3000114.8K494 S495 I496K494-N498 WeakPolarHBondContact O-CB 2.78Å; K494-N498 VanDerWaalsContact O-CG 3.23Å; K494-N498 PolarHBondContact O-N 2.88Å; K494-N498 PolarHBondContact O-ND2 3.37Å; S495-N498 PolarHBondContact O-N 3.26Å; I496-N498 VanDerWaalsContact C-N 3.32Å; I496-N498 PolarHBondContact O-N 3.31Å
499V89.6Confident87.2Confident31 Ų3152.1 Ų52.119%0.18830%0.298CS..Hα-helixtrans-98.8-44.8-179.8170.30000111.3F457 Q460 V461 K464 S495 I496 S497F457-V499 HydrophobicContact CB-CG1 4.34Å; F457-V499 HydrophobicContact CD1-CG1 3.94Å; Q460-V499 HydrophobicContact CB-CG1 4.02Å; V461-V499 HydrophobicContact CG2-CB 3.81Å; V461-V499 HydrophobicContact CG2-CG1 4.01Å; V461-V499 HydrophobicContact CG2-CG2 3.9Å; K464-V499 HydrophobicContact CD-CG2 3.89Å; S495-V499 WeakPolarHBondContact O-CG2 3.49Å; S495-V499 PolarHBondContact O-N 3.05Å; I496-V499 PolarHBondContact O-N 3.34Å; I496-V499 VanDerWaalsContact O-N 3.15Å; S497-V499 VanDerWaalsContact C-N 3.3Å; S497-V499 PolarHBondContact O-N 2.86Å
500S88.9Confident87.1Confident21 Ų2153.1 Ų53.115%0.14730%0.302CS..Hα-helixtrans-92.3-15.9-174.666.30000114.9I496 K502I496-S500 WeakPolarHBondContact O-CB 3.49Å; I496-S500 PolarHBondContact O-N 2.86Å; I496-S500 PolarHBondContact O-OG 3.41Å; S500-K502 PolarHBondContact O-N 3.48Å; S500-K502 PolarHBondContact OG-N 3.47Å
501G84Confident87.2Confident71 Ų7147.2 Ų47.273%0.73228%0.275SS*.  trans66.9-1.6-172.400000115.3S497S497-G501 WeakPolarHBondContact O-CA 2.98Å; S497-G501 PolarHBondContact O-N 2.95Å
502K85.4Confident87.1Confident96 Ų9645.4 Ų45.442%0.41726%0.26SS..  trans-92.6146.1-177.3-67.2168.1-179171.10110.9R452 I453 S500R452-K502 WeakPolarHBondContact O-CD 3.44Å; R452-K502 PolarHBondContact O-NZ 3.43Å; I453-K502 HydrophobicContact CG1-CD 4.17Å; S500-K502 PolarHBondContact O-N 3.48Å; S500-K502 PolarHBondContact OG-N 3.47Å
503D79.1Confident86.8Confident126 Ų12647.4 Ų47.467%0.67427%0.271SS*.  trans-88.9120.8166.5-176.518.1000110G505D503-G505 WeakPolarHBondContact OD1-CA 3.43Å; D503-G505 PolarHBondContact OD1-N 2.94Å
504I85.9Confident86.4Confident9 Ų950.7 Ų50.75%0.04629%0.285CS..  trans-105.92.5173.953.4165.1000113I449 I453 L493 I496 P506 L507 I508I449-I504 HydrophobicContact CG2-CD1 4.47Å; I453-I504 HydrophobicContact CD1-CD1 4.5Å; I453-I504 HydrophobicContact CD1-CG2 3.66Å; I453-I504 HydrophobicContact CG1-CG2 4.44Å; L493-I504 HydrophobicContact CD2-CD1 3.42Å; L493-I504 VanDerWaalsContact CD2-CD1 3.42Å; L493-I504 HydrophobicContact CD2-CG1 4.02Å; I496-I504 HydrophobicContact CB-CD1 4.14Å; I496-I504 HydrophobicContact CD1-CD1 3.72Å; I496-I504 HydrophobicContact CG2-CD1 3.72Å; I496-I504 HydrophobicContact CG2-CG1 4.33Å; I504-P506 VanDerWaalsContact C-CD 3.42Å; I504-P506 VanDerWaalsContact C-N 3.29Å; I504-L507 WeakPolarHBondContact O-CB 3.2Å; I504-L507 PolarHBondContact O-N 3.42Å; I504-I508 WeakPolarHBondContact O-CG1 3.47Å; I504-I508 PolarHBondContact O-N 3.27Å; I504-I508 VanDerWaalsContact O-N 3.12Å
505G83.9Confident85.9Confident21 Ų2147.9 Ų47.922%0.21628%0.276CS..Hα-helixtrans-48.9-39.9175.300000114.7D503 K509D503-G505 WeakPolarHBondContact OD1-CA 3.43Å; D503-G505 PolarHBondContact OD1-N 2.94Å; G505-K509 WeakPolarHBondContact O-CG 3.36Å; G505-K509 PolarHBondContact O-N 3.36Å; G505-K509 VanDerWaalsContact O-N 3.1Å
506P86.4Confident85.4Confident82 Ų8247.4 Ų47.453%0.53227%0.273SS..Hα-helixtrans-63.9-36.8173.6-24.635.5000114I504 Q510I504-P506 VanDerWaalsContact C-CD 3.42Å; I504-P506 VanDerWaalsContact C-N 3.29Å; P506-Q510 WeakPolarHBondContact O-CB 3.17Å; P506-Q510 PolarHBondContact O-N 3.2Å
507L86.9Confident85.3Confident18 Ų1847.2 Ų47.29%0.09427%0.272CS..Hα-helixtrans-68.8-42.9179.4-171.975.5000111L448 I449 R452 I504 Q510 W511L448-L507 HydrophobicContact CB-CD1 4.35Å; L448-L507 HydrophobicContact CB-CD2 4.16Å; I449-L507 HydrophobicContact CG1-CD2 3.83Å; R452-L507 HydrophobicContact CG-CD2 4.39Å; I504-L507 WeakPolarHBondContact O-CB 3.2Å; I504-L507 PolarHBondContact O-N 3.42Å; L507-Q510 PolarHBondContact O-N 3.4Å; L507-W511 VanDerWaalsContact O-CD1 3.31Å; L507-W511 PolarHBondContact O-N 3.33Å; L507-W511 VanDerWaalsContact O-N 3.07Å
508I87.6Confident85.3Confident6 Ų644.6 Ų44.63%0.03125%0.254CS..Hα-helixtrans-61.6-46.4176.1-58.8-58.5000110.4W357 I449 L493 I504 Q510 W511 V512 D513W357-I508 HydrophobicContact CH2-CD1 4.02Å; W357-I508 HydrophobicContact CZ2-CD1 4.41Å; I449-I508 HydrophobicContact CD1-CD1 4.44Å; L493-I508 HydrophobicContact CD1-CG1 3.96Å; L493-I508 HydrophobicContact CD1-CG2 4.24Å; L493-I508 HydrophobicContact CD2-CD1 3.64Å; L493-I508 HydrophobicContact CD2-CG1 3.56Å; L493-I508 HydrophobicContact CG-CG1 4.42Å; I504-I508 WeakPolarHBondContact O-CG1 3.47Å; I504-I508 PolarHBondContact O-N 3.27Å; I504-I508 VanDerWaalsContact O-N 3.12Å; I508-Q510 PolarHBondContact O-N 3.46Å; I508-Q510 VanDerWaalsContact O-N 3.17Å; I508-W511 PolarHBondContact O-N 3.32Å; I508-V512 HydrophobicContact CB-CG2 4.49Å; I508-V512 HydrophobicContact CD1-CG2 3.87Å; I508-V512 HydrophobicContact CG2-CB 3.83Å; I508-V512 HydrophobicContact CG2-CG1 4.19Å; I508-V512 HydrophobicContact CG2-CG2 4.19Å; I508-V512 WeakPolarHBondContact O-CA 3.23Å; I508-V512 VanDerWaalsContact O-CB 3.27Å; I508-V512 WeakPolarHBondContact O-CB 3.49Å; I508-V512 PolarHBondContact O-N 3.16Å; I508-D513 PolarHBondContact O-N 3.3Å
509K85.6Confident85.3Confident133 Ų13340.5 Ų40.558%0.57823%0.231SC*.Hα-helixtrans-59.3-28.7176.1-75.3173179.7178.10114.2G505 D513 Q514G505-K509 WeakPolarHBondContact O-CG 3.36Å; G505-K509 PolarHBondContact O-N 3.36Å; G505-K509 VanDerWaalsContact O-N 3.1Å; K509-D513 WeakPolarHBondContact CA-OD2 3.46Å; K509-D513 WeakPolarHBondContact CG-OD2 3.38Å; K509-Q514 WeakPolarHBondContact O-CB 3.47Å; K509-Q514 VanDerWaalsContact O-CD 3.23Å; K509-Q514 WeakPolarHBondContact O-CG 3.48Å
510Q85.4Confident85.4Confident28 Ų2839 Ų3913%0.13122%0.222CC..Hα-helixtrans-88.7-28.9-177.8-173.2176.45100113.8P506 L507 I508 Q547 Y549P506-Q510 WeakPolarHBondContact O-CB 3.17Å; P506-Q510 PolarHBondContact O-N 3.2Å; L507-Q510 PolarHBondContact O-N 3.4Å; I508-Q510 PolarHBondContact O-N 3.46Å; I508-Q510 VanDerWaalsContact O-N 3.17Å; Q510-Q547 PolarHBondContact O-NE2 3.48Å; Q510-Q547 PolarHBondContact O-OE1 3.27Å; Q510-Y549 VanDerWaalsContact NE2-CD2 3.27Å
511W87.5Confident85.5Confident4 Ų441.9 Ų41.92%0.01523%0.232CC..Hα-helixtrans-126.8-10.8-170.8-57104.6000115.5V445 L448 L507 I508 Q514 V518 Q547 Y549 I625 L626V445-W511 HydrophobicContact CG2-CB 3.88Å; L448-W511 HydrophobicContact CD1-CB 4.37Å; L448-W511 HydrophobicContact CD1-CD2 3.94Å; L448-W511 HydrophobicContact CD1-CG 3.74Å; L507-W511 VanDerWaalsContact O-CD1 3.31Å; L507-W511 PolarHBondContact O-N 3.33Å; L507-W511 VanDerWaalsContact O-N 3.07Å; I508-W511 PolarHBondContact O-N 3.32Å; W511-Q514 CarbonylContact C-O 3.58Å; W511-V518 HydrophobicContact CH2-CG2 3.55Å; W511-V518 HydrophobicContact CZ2-CG2 4.39Å; W511-V518 HydrophobicContact CZ3-CG2 4.21Å; W511-Q547 VanDerWaalsContact CE3-NE2 3.31Å; W511-Q547 VanDerWaalsContact CZ3-NE2 3.25Å; W511-Y549 AromaticContact CZ2-CD2 3.96Å; W511-Y549 HydrophobicContact CZ2-CD2 3.96Å; W511-Y549 AromaticContact CZ2-CE2 3.96Å; W511-Y549 HydrophobicContact CZ2-CE2 3.96Å; W511-I625 HydrophobicContact CH2-CG2 3.66Å; W511-I625 HydrophobicContact CZ2-CG2 3.8Å; W511-L626 HydrophobicContact CD2-CG 4.47Å; W511-L626 HydrophobicContact CE3-CB 4.08Å; W511-L626 HydrophobicContact CE3-CD1 3.71Å; W511-L626 HydrophobicContact CE3-CG 3.81Å; W511-L626 HydrophobicContact CH2-CB 4.03Å; W511-L626 HydrophobicContact CH2-CG 4.4Å; W511-L626 HydrophobicContact CZ3-CB 3.53Å; W511-L626 HydrophobicContact CZ3-CD1 4.03Å; W511-L626 HydrophobicContact CZ3-CG 3.79Å
512V85.5Confident85.9Confident0 Ų038.6 Ų38.60%020%0.198CC..THydrogen-bonded Turntrans-116.8-48.3-176.3-175.30000110.7W357 L402 L403 H404 V445 I508W357-V512 HydrophobicContact CD2-CG1 4.16Å; W357-V512 HydrophobicContact CH2-CG1 4.34Å; W357-V512 HydrophobicContact CH2-CG2 3.97Å; W357-V512 HydrophobicContact CZ2-CG1 3.64Å; W357-V512 HydrophobicContact CZ2-CG2 4.09Å; W357-V512 HydrophobicContact CZ3-CG2 4.32Å; L402-V512 WeakPolarHBondContact CD1-O 3.46Å; L403-V512 HydrophobicContact CB-CB 4.39Å; L403-V512 HydrophobicContact CB-CG1 3.79Å; L403-V512 HydrophobicContact CD1-CG2 4.3Å; L403-V512 PolarHBondContact N-O 3.48Å; H404-V512 HydrophobicContact CB-CG1 3.55Å; H404-V512 PolarHBondContact N-O 3.47Å; V445-V512 HydrophobicContact CG1-CG2 3.81Å; I508-V512 HydrophobicContact CB-CG2 4.49Å; I508-V512 HydrophobicContact CD1-CG2 3.87Å; I508-V512 HydrophobicContact CG2-CB 3.83Å; I508-V512 HydrophobicContact CG2-CG1 4.19Å; I508-V512 HydrophobicContact CG2-CG2 4.19Å; I508-V512 WeakPolarHBondContact O-CA 3.23Å; I508-V512 VanDerWaalsContact O-CB 3.27Å; I508-V512 WeakPolarHBondContact O-CB 3.49Å; I508-V512 PolarHBondContact O-N 3.16Å
513D82.9Confident86.3Confident43 Ų4335.6 Ų35.623%0.2319%0.189CC..SBendtrans-84.8-17.2175.5-51.1-26.3000112.4L402 I508 K509L402-D513 WeakPolarHBondContact CD1-O 3.33Å; I508-D513 PolarHBondContact O-N 3.3Å; K509-D513 WeakPolarHBondContact CA-OD2 3.46Å; K509-D513 WeakPolarHBondContact CG-OD2 3.38Å
514Q79.9Confident86.9Confident105 Ų10532.5 Ų32.549%0.49117%0.17SC..SBendtrans-119.4145.5176.2-73.8176.52.200110.7K509 W511K509-Q514 WeakPolarHBondContact O-CB 3.47Å; K509-Q514 VanDerWaalsContact O-CD 3.23Å; K509-Q514 WeakPolarHBondContact O-CG 3.48Å; W511-Q514 CarbonylContact C-O 3.58Å
515S78.3Confident87.2Confident29 Ų2934.5 Ų34.520%0.20319%0.188CC..  trans-122.8103.7-173.262.10000111.5V401V401-S515 WeakPolarHBondContact O-CB 3.33Å
516G81.1Confident87.4Confident0 Ų035.7 Ų35.70%019%0.187CC..  trans-176.4165.916400000112.5E395 G545 Q547E395-G516 WeakPolarHBondContact OE2-CA 3.36Å; G516-G545 CarbonylContact C-O 3.59Å; G516-G545 WeakPolarHBondContact CA-O 3.26Å; G516-Q547 PolarHBondContact O-NE2 3.01Å
517V86.8Confident87.5Confident1 Ų134 Ų341%0.00617%0.174CC..BIsolated β-bridgetrans-96.5146.2168.7168.70000109.5I391 V392 E395 G545 T546 Q547I391-V517 HydrophobicContact CG2-CG2 4.14Å; V392-V517 HydrophobicContact CG2-CG1 3.79Å; V392-V517 HydrophobicContact CG2-CG2 4.34Å; E395-V517 HydrophobicContact CB-CG2 4.22Å; E395-V517 HydrophobicContact CG-CG2 4.47Å; E395-V517 PolarHBondContact OE2-N 3.19Å; V517-G545 PolarHBondContact N-O 2.86Å; V517-T546 WeakPolarHBondContact O-CA 3.3Å; V517-Q547 PolarHBondContact O-N 3.25Å; V517-Q547 VanDerWaalsContact O-N 3.09Å
518V90Very high87.3Confident0 Ų039 Ų390%019%0.191CC..EExtended strand (participates in β ladder)trans-90.1119.3177.5-179.40000109.4W511 F520 Q547 Y549 I625 L626 R627 K628W511-V518 HydrophobicContact CH2-CG2 3.55Å; W511-V518 HydrophobicContact CZ2-CG2 4.39Å; W511-V518 HydrophobicContact CZ3-CG2 4.21Å; V518-F520 HydrophobicContact CB-CE2 4.27Å; V518-F520 HydrophobicContact CB-CZ 4.42Å; V518-F520 HydrophobicContact CG1-CD1 4.15Å; V518-F520 HydrophobicContact CG1-CD2 4Å; V518-F520 HydrophobicContact CG1-CE1 3.66Å; V518-F520 HydrophobicContact CG1-CE2 3.51Å; V518-F520 HydrophobicContact CG1-CG 4.31Å; V518-F520 HydrophobicContact CG1-CZ 3.34Å; V518-Q547 HydrophobicContact CG2-CG 4.15Å; V518-Y549 HydrophobicContact CG2-CD2 4.19Å; V518-Y549 HydrophobicContact CG2-CG 4.39Å; V518-I625 HydrophobicContact CB-CG2 4.33Å; V518-I625 HydrophobicContact CG2-CG2 4.31Å; V518-L626 PolarHBondContact N-O 3.1Å; V518-R627 CarbonylContact O-C 3.56Å; V518-R627 VanDerWaalsContact O-CA 3.23Å; V518-R627 WeakPolarHBondContact O-CA 3.5Å; V518-K628 PolarHBondContact O-N 2.66Å
519K90.4Very high87.2Confident27 Ų2748.4 Ų48.412%0.11723%0.232CC..EExtended strand (participates in β ladder)trans-96.8114.1173.3-171.8174.9-177.2-178.20110.7F521 Q539 D540 T546 K628 E630K519-F521 HydrophobicContact CD-CE2 3.84Å; K519-F521 HydrophobicContact CD-CZ 4.1Å; K519-F521 HydrophobicContact CG-CE2 4.21Å; K519-Q539 WeakPolarHBondContact O-CA 3.46Å; K519-D540 HydrophobicContact CB-CB 4.25Å; K519-D540 HydrophobicContact CD-CB 4.35Å; K519-D540 HydrophobicContact CG-CB 4.45Å; K519-D540 PolarHBondContact O-N 3.08Å; K519-T546 HydrophobicContact CB-CG2 4.18Å; K519-K628 WeakPolarHBondContact CA-O 3.43Å; K519-E630 WeakPolarHBondContact CE-OE1 3.37Å; K519-E630 WeakPolarHBondContact CE-OE2 3.28Å; K519-E630 IonicContact NZ-OE1 3.7Å; K519-E630 PolarHBondContact NZ-OE1 2.88Å; K519-E630 IonicContact NZ-OE2 3.34Å; K519-E630 PolarHBondContact NZ-OE2 2.9Å
520F91.5Very high87.3Confident0 Ų048.3 Ų48.30%023%0.228CC..EExtended strand (participates in β ladder)trans-101.1136.2170.8-59.3-70.5000111.3V518 I537 R538 Q539 Y549 I553 I570 I625 R627 K628 V629 E630V518-F520 HydrophobicContact CB-CE2 4.27Å; V518-F520 HydrophobicContact CB-CZ 4.42Å; V518-F520 HydrophobicContact CG1-CD1 4.15Å; V518-F520 HydrophobicContact CG1-CD2 4Å; V518-F520 HydrophobicContact CG1-CE1 3.66Å; V518-F520 HydrophobicContact CG1-CE2 3.51Å; V518-F520 HydrophobicContact CG1-CG 4.31Å; V518-F520 HydrophobicContact CG1-CZ 3.34Å; F520-I537 HydrophobicContact CB-CG2 4.47Å; F520-I537 HydrophobicContact CD1-CG2 3.86Å; F520-I537 HydrophobicContact CG-CG2 4.47Å; F520-R538 WeakPolarHBondContact CA-O 3.45Å; F520-Q539 HydrophobicContact CD1-CG 4.03Å; F520-Q539 HydrophobicContact CE1-CG 3.97Å; F520-Y549 HydrophobicContact CZ-CD1 4.04Å; F520-Y549 HydrophobicContact CZ-CG 4.2Å; F520-I553 HydrophobicContact CD2-CD1 4.11Å; F520-I553 HydrophobicContact CE1-CD1 4.41Å; F520-I553 HydrophobicContact CE2-CD1 3.57Å; F520-I553 HydrophobicContact CZ-CD1 3.73Å; F520-I570 HydrophobicContact CD1-CD1 4.22Å; F520-I570 HydrophobicContact CE1-CD1 3.39Å; F520-I570 HydrophobicContact CZ-CD1 3.79Å; F520-I625 HydrophobicContact CE2-CD1 4.25Å; F520-I625 HydrophobicContact CE2-CG2 4.37Å; F520-I625 HydrophobicContact CZ-CD1 4.37Å; F520-R627 HydrophobicContact CD2-CB 4.17Å; F520-R627 HydrophobicContact CE2-CB 4.19Å; F520-K628 PolarHBondContact N-O 3.38Å; F520-V629 HydrophobicContact CB-CG2 4.23Å; F520-V629 HydrophobicContact CD2-CG2 4.1Å; F520-V629 WeakPolarHBondContact O-CA 3.41Å; F520-E630 PolarHBondContact O-N 2.96Å
521F92.3Very high87.4Confident80 Ų8048.9 Ų48.935%0.35123%0.232SC..EExtended strand (participates in β ladder)trans-108.3123.8164.1-71.2-87.4000108.6K519 R538 D540 E630K519-F521 HydrophobicContact CD-CE2 3.84Å; K519-F521 HydrophobicContact CD-CZ 4.1Å; K519-F521 HydrophobicContact CG-CE2 4.21Å; F521-R538 HydrophobicContact CB-CB 4.33Å; F521-R538 PolarHBondContact N-O 2.91Å; F521-R538 PolarHBondContact O-N 3.42Å; F521-D540 HydrophobicContact CD2-CB 4.21Å; F521-D540 HydrophobicContact CE2-CB 3.77Å; F521-E630 WeakPolarHBondContact CA-O 3.38Å; F521-E630 HydrophobicContact CD1-CB 3.98Å; F521-E630 HydrophobicContact CE1-CB 4.18Å; F521-E630 VanDerWaalsContact CE1-OE2 3.23Å; F521-E630 WeakPolarHBondContact CE1-OE2 3.03Å
522G91.1Very high87.5Confident3 Ų349.5 Ų49.53%0.03124%0.236CC..EExtended strand (participates in β ladder)trans-118.1128.7179.900000112.4E536 E630 F631 E632G522-E536 WeakPolarHBondContact CA-O 3.32Å; G522-E630 PolarHBondContact N-O 3.09Å; G522-F631 WeakPolarHBondContact O-CA 3.32Å; G522-E632 PolarHBondContact O-N 3.48Å
523S93.1Very high87.8Confident33 Ų3349.5 Ų49.523%0.23124%0.236CC..EExtended strand (participates in β ladder)trans-134162.516965.60000110E536S523-E536 PolarHBondContact N-O 3.11Å; S523-E536 PolarHBondContact O-N 3Å; S523-E536 VanDerWaalsContact O-O 3.12Å
524F93.1Very high88.3Confident60 Ų6050.5 Ų50.526%0.26324%0.239SC..EExtended strand (participates in β ladder)trans-148154.5-175.376.4-80.9000112.7L533 E534 L535 L614 I617 F631 E632 Q633 M637F524-L533 HydrophobicContact CB-CD1 3.75Å; F524-L533 HydrophobicContact CD2-CD1 3.59Å; F524-L533 HydrophobicContact CG-CD1 4.06Å; F524-E534 WeakPolarHBondContact CA-O 3.32Å; F524-L535 HydrophobicContact CB-CD1 3.93Å; F524-L614 HydrophobicContact CD2-CD1 4.38Å; F524-L614 HydrophobicContact CE2-CD1 4.22Å; F524-I617 HydrophobicContact CB-CD1 4.19Å; F524-I617 HydrophobicContact CD1-CD1 4.01Å; F524-I617 HydrophobicContact CD2-CD1 3.96Å; F524-I617 HydrophobicContact CE1-CD1 4.41Å; F524-I617 HydrophobicContact CE2-CD1 4.37Å; F524-I617 HydrophobicContact CG-CD1 3.77Å; F524-F631 AromaticContact CD1-CE1 3.72Å; F524-F631 HydrophobicContact CD1-CE1 3.72Å; F524-F631 HydrophobicContact CD1-CZ 4.07Å; F524-F631 HydrophobicContact CE1-CE1 4.17Å; F524-E632 WeakPolarHBondContact CE1-O 3.41Å; F524-Q633 HydrophobicContact CE1-CG 3.84Å; F524-M637 HydrophobicContact CE1-CE 4.22Å; F524-M637 HydrophobicContact CE1-SD 4.31Å; F524-M637 HydrophobicContact CE2-CE 4.42Å; F524-M637 HydrophobicContact CZ-CE 3.66Å; F524-M637 HydrophobicContact CZ-SD 3.76Å
525A91.1Very high88.9Confident52 Ų5245.6 Ų45.643%0.4322%0.217SC..EExtended strand (participates in β ladder)trans-133.2141.2170.400000110E534A525-E534 PolarHBondContact N-O 3.1Å; A525-E534 PolarHBondContact O-N 3.42Å
526F89.8Confident89.6Confident45 Ų4545.3 Ų45.320%0.19721%0.212CC..EExtended strand (participates in β ladder)trans-102.3111.6176.8178-110.9000111.5R528 C581 P613 L614F526-R528 HydrophobicContact CD1-CB 4.45Å; F526-R528 HydrophobicContact CE1-CB 4.03Å; F526-R528 PolarHBondContact O-N 3.23Å; F526-C581 HydrophobicContact CE2-CB 4.27Å; F526-P613 HydrophobicContact CE2-CG 4.13Å; F526-P613 HydrophobicContact CZ-CG 3.93Å; F526-L614 HydrophobicContact CB-CD1 4.09Å; F526-L614 HydrophobicContact CD2-CD1 4.03Å; F526-L614 HydrophobicContact CD2-CG 4.48Å; F526-L614 HydrophobicContact CG-CD1 4.26Å
527N88.5Confident90.1Very high46 Ų4645.5 Ų45.525%0.24621%0.213CC..EExtended strand (participates in β ladder)trans-87.984.1179.5-165.6-29.9000111.3K529 R530 N531 V532 E534N527-K529 PolarHBondContact O-N 3.19Å; N527-K529 VanDerWaalsContact O-N 3.07Å; N527-K529 PolarHBondContact OD1-N 2.71Å; N527-R530 HydrophobicContact CB-CB 4.42Å; N527-R530 VanDerWaalsContact ND2-CD 3.27Å; N527-R530 WeakPolarHBondContact ND2-CD 3.4Å; N527-R530 PolarHBondContact O-N 2.86Å; N527-N531 PolarHBondContact O-N 3.08Å; N527-V532 PolarHBondContact N-O 3.41Å; N527-V532 PolarHBondContact O-N 3.02Å; N527-E534 HydrophobicContact CB-CG 4.14Å; N527-E534 VanDerWaalsContact CB-OE1 3.3Å; N527-E534 WeakPolarHBondContact CB-OE1 3.37Å; N527-E534 PolarHBondContact ND2-OE1 3.48Å
528R82.6Confident90.3Very high124 Ų12451.4 Ų51.447%0.46824%0.235SC..THydrogen-bonded Turntrans-47.4-34.8177.1178.5-178.9176.482.6-22.6114.8F526 R530 S585 D611F526-R528 HydrophobicContact CD1-CB 4.45Å; F526-R528 HydrophobicContact CE1-CB 4.03Å; F526-R528 PolarHBondContact O-N 3.23Å; R528-R530 VanDerWaalsContact C-N 3.3Å; R528-R530 PolarHBondContact O-N 3.24Å; R528-S585 PolarHBondContact NH1-OG 2.92Å; R528-D611 IonicContact CZ-OD1 2.78Å; R528-D611 VanDerWaalsContact CZ-OD1 3.23Å; R528-D611 IonicContact CZ-OD2 2.8Å; R528-D611 IonicContact NE-OD2 3.8Å; R528-D611 PolarHBondContact NE-OD2 3.33Å; R528-D611 VanDerWaalsContact NH1-CA 3.35Å; R528-D611 VanDerWaalsContact NH1-CB 3.28Å; R528-D611 PolarHBondContact NH1-O 3.16Å; R528-D611 VanDerWaalsContact NH1-O 3.09Å; R528-D611 IonicContact NH1-OD1 2.89Å; R528-D611 PolarHBondContact NH1-OD1 3.05Å; R528-D611 IonicContact NH1-OD2 3.82Å; R528-D611 IonicContact NH2-OD1 3.56Å; R528-D611 PolarHBondContact NH2-OD1 3.28Å; R528-D611 IonicContact NH2-OD2 3.22Å; R528-D611 PolarHBondContact NH2-OD2 3.12Å
529K85.3Confident90.3Very high204 Ų20452 Ų5289%0.88724%0.238SC*.THydrogen-bonded Turntrans-69.9-28.9-179.4-71-176.6179.4177.30112.6N527N527-K529 PolarHBondContact O-N 3.19Å; N527-K529 VanDerWaalsContact O-N 3.07Å; N527-K529 PolarHBondContact OD1-N 2.71Å
530R86.3Confident90Very high130 Ų13051.8 Ų51.849%0.49124%0.238SC..THydrogen-bonded Turntrans-100-16.4-179.6-59.8172.273.6-149.9-0.4112.5N527 R528 V532 E534 D578N527-R530 HydrophobicContact CB-CB 4.42Å; N527-R530 VanDerWaalsContact ND2-CD 3.27Å; N527-R530 WeakPolarHBondContact ND2-CD 3.4Å; N527-R530 PolarHBondContact O-N 2.86Å; R528-R530 VanDerWaalsContact C-N 3.3Å; R528-R530 PolarHBondContact O-N 3.24Å; R530-V532 VanDerWaalsContact C-N 3.27Å; R530-V532 HydrophobicContact CB-CB 3.94Å; R530-V532 HydrophobicContact CB-CG2 3.79Å; R530-E534 IonicContact CZ-OE1 3.2Å; R530-E534 IonicContact NH1-OE1 2.65Å; R530-E534 PolarHBondContact NH1-OE1 3.37Å; R530-D578 IonicContact CZ-OD2 3.99Å; R530-D578 IonicContact NH1-OD1 3.21Å; R530-D578 IonicContact NH1-OD2 3.97Å; R530-D578 PolarHBondContact NH1-OD2 3.34Å; R530-D578 IonicContact NH2-OD2 3.16Å; R530-D578 PolarHBondContact NH2-OD2 3.21Å
531N87.9Confident89.4Confident40 Ų4057.6 Ų57.621%0.21426%0.261CS..THydrogen-bonded Turntrans5542.9-164.5-149.371.4000111.9N527 C581 S583N527-N531 PolarHBondContact O-N 3.08Å; N531-C581 PolarHBondContact ND2-O 2.87Å; N531-C581 WeakPolarHBondContact O-CB 3.3Å; N531-C581 PolarHBondContact O-N 3.22Å; N531-S583 PolarHBondContact ND2-O 3.42Å
532V90.9Very high88.7Confident17 Ų1759.1 Ų59.110%0.10328%0.277CS..EExtended strand (participates in β ladder)trans-121.3135.6-176.2167.80000109.4N527 R530 E534 D578 I579N527-V532 PolarHBondContact N-O 3.41Å; N527-V532 PolarHBondContact O-N 3.02Å; R530-V532 VanDerWaalsContact C-N 3.27Å; R530-V532 HydrophobicContact CB-CB 3.94Å; R530-V532 HydrophobicContact CB-CG2 3.79Å; V532-E534 HydrophobicContact CG1-CG 3.99Å; V532-D578 HydrophobicContact CG1-CB 3.6Å; V532-I579 CarbonylContact C-O 3.59Å; V532-I579 WeakPolarHBondContact CA-O 3.26Å
533L91.1Very high88Confident0 Ų061.3 Ų61.30%029%0.292CS..EExtended strand (participates in β ladder)trans-87.3110.1165.7165.358.5000108.3F524 L535 V557 I579 L614 I617F524-L533 HydrophobicContact CB-CD1 3.75Å; F524-L533 HydrophobicContact CD2-CD1 3.59Å; F524-L533 HydrophobicContact CG-CD1 4.06Å; L533-L535 PolarHBondContact O-N 2.71Å; L533-V557 HydrophobicContact CD2-CG1 3.96Å; L533-V557 HydrophobicContact CD2-CG2 3.8Å; L533-I579 HydrophobicContact CB-CB 4.16Å; L533-I579 HydrophobicContact CD2-CB 4.46Å; L533-I579 HydrophobicContact CD2-CD1 4.37Å; L533-I579 HydrophobicContact CG-CB 4.37Å; L533-I579 PolarHBondContact N-O 3.49Å; L533-I579 PolarHBondContact O-N 3.25Å; L533-L614 HydrophobicContact CB-CD1 4.39Å; L533-L614 HydrophobicContact CD1-CD1 3.82Å; L533-L614 HydrophobicContact CD2-CD1 4.27Å; L533-L614 HydrophobicContact CD2-CD2 4.29Å; L533-L614 HydrophobicContact CG-CD1 4.4Å; L533-I617 HydrophobicContact CD1-CD1 4.08Å; L533-I617 HydrophobicContact CD2-CD1 3.85Å; L533-I617 HydrophobicContact CD2-CG1 4.46Å
534E92.4Very high86.9Confident64 Ų6462.8 Ų62.830%0.29930%0.302SS..EExtended strand (participates in β ladder)trans-88.597.1176.9-56.5-177.2173.600107.1F524 A525 N527 R530 V532F524-E534 WeakPolarHBondContact CA-O 3.32Å; A525-E534 PolarHBondContact N-O 3.1Å; A525-E534 PolarHBondContact O-N 3.42Å; N527-E534 HydrophobicContact CB-CG 4.14Å; N527-E534 VanDerWaalsContact CB-OE1 3.3Å; N527-E534 WeakPolarHBondContact CB-OE1 3.37Å; N527-E534 PolarHBondContact ND2-OE1 3.48Å; R530-E534 IonicContact CZ-OE1 3.2Å; R530-E534 IonicContact NH1-OE1 2.65Å; R530-E534 PolarHBondContact NH1-OE1 3.37Å; V532-E534 HydrophobicContact CG1-CG 3.99Å
535L92.7Very high86Confident2 Ų260.5 Ų60.51%0.0130%0.296CS..EExtended strand (participates in β ladder)trans-96.1128.1-175.8-178.270.1000110.5F524 L533 I537 V555 L568 K576 H577 I579 F631F524-L535 HydrophobicContact CB-CD1 3.93Å; L533-L535 PolarHBondContact O-N 2.71Å; L535-I537 HydrophobicContact CD2-CD1 4.04Å; L535-I537 HydrophobicContact CD2-CG1 4.22Å; L535-I537 HydrophobicContact CG-CG1 4.19Å; L535-V555 HydrophobicContact CD2-CG1 4Å; L535-V555 HydrophobicContact CD2-CG2 4.31Å; L535-L568 HydrophobicContact CD2-CD1 3.86Å; L535-K576 WeakPolarHBondContact O-CA 3.43Å; L535-H577 PolarHBondContact N-O 3.14Å; L535-H577 PolarHBondContact O-N 2.84Å; L535-I579 HydrophobicContact CB-CD1 4.28Å; L535-I579 HydrophobicContact CD2-CD1 3.88Å; L535-F631 HydrophobicContact CD1-CE2 4.02Å; L535-F631 HydrophobicContact CD1-CZ 3.9Å
536E92.8Very high85.6Confident24 Ų2459 Ų5911%0.11228%0.281CS..EExtended strand (participates in β ladder)trans-112.3117.4176.1-178.1166.1-168.800110.6G522 S523 R538 S574 L575 K576G522-E536 WeakPolarHBondContact CA-O 3.32Å; S523-E536 PolarHBondContact N-O 3.11Å; S523-E536 PolarHBondContact O-N 3Å; S523-E536 VanDerWaalsContact O-O 3.12Å; E536-R538 HydrophobicContact CG-CG 4.2Å; E536-R538 IonicContact OE1-CZ 3.23Å; E536-R538 IonicContact OE1-NE 4Å; E536-R538 PolarHBondContact OE1-NE 2.83Å; E536-R538 IonicContact OE1-NH2 3.28Å; E536-R538 PolarHBondContact OE1-NH2 3.21Å; E536-R538 IonicContact OE2-NH2 2.75Å; E536-R538 PolarHBondContact OE2-NH2 3.1Å; E536-S574 PolarHBondContact OE1-OG 3.33Å; E536-L575 WeakPolarHBondContact CA-O 3.45Å; E536-K576 HydrophobicContact CB-CG 4.24Å; E536-K576 VanDerWaalsContact CD-NZ 3.26Å; E536-K576 HydrophobicContact CG-CG 4.05Å; E536-K576 VanDerWaalsContact OE1-CE 3.27Å; E536-K576 WeakPolarHBondContact OE1-CE 3.13Å; E536-K576 IonicContact OE1-NZ 3.31Å; E536-K576 PolarHBondContact OE1-NZ 3.5Å; E536-K576 VanDerWaalsContact OE2-CE 3.28Å; E536-K576 WeakPolarHBondContact OE2-CE 2.95Å; E536-K576 IonicContact OE2-NZ 3.67Å; E536-K576 PolarHBondContact OE2-NZ 3.18Å
537I92.4Very high85.4Confident4 Ų457.8 Ų57.82%0.02128%0.276CS..EExtended strand (participates in β ladder)trans-113.1116.6175.9-57.4178.5000108.4F520 L535 V555 L568 I570 L575 I619F520-I537 HydrophobicContact CB-CG2 4.47Å; F520-I537 HydrophobicContact CD1-CG2 3.86Å; F520-I537 HydrophobicContact CG-CG2 4.47Å; L535-I537 HydrophobicContact CD2-CD1 4.04Å; L535-I537 HydrophobicContact CD2-CG1 4.22Å; L535-I537 HydrophobicContact CG-CG1 4.19Å; I537-V555 HydrophobicContact CD1-CG2 4.32Å; I537-L568 HydrophobicContact CD1-CD1 4.07Å; I537-I570 HydrophobicContact CG2-CD1 4.37Å; I537-L575 PolarHBondContact N-O 2.92Å; I537-L575 PolarHBondContact O-N 3.35Å; I537-I619 HydrophobicContact CD1-CD1 4.21Å; I537-I619 HydrophobicContact CG1-CD1 4.35Å
538R91.4Very high85.3Confident124 Ų12459.3 Ų59.347%0.46828%0.281SS..EExtended strand (participates in β ladder)trans-106.6143.9174.6-57.4-175.2-176.1150.45.5110.5F520 F521 E536 N573F520-R538 WeakPolarHBondContact CA-O 3.45Å; F521-R538 HydrophobicContact CB-CB 4.33Å; F521-R538 PolarHBondContact N-O 2.91Å; F521-R538 PolarHBondContact O-N 3.42Å; E536-R538 HydrophobicContact CG-CG 4.2Å; E536-R538 IonicContact OE1-CZ 3.23Å; E536-R538 IonicContact OE1-NE 4Å; E536-R538 PolarHBondContact OE1-NE 2.83Å; E536-R538 IonicContact OE1-NH2 3.28Å; E536-R538 PolarHBondContact OE1-NH2 3.21Å; E536-R538 IonicContact OE2-NH2 2.75Å; E536-R538 PolarHBondContact OE2-NH2 3.1Å; R538-N573 CarbonylContact C-O 3.59Å; R538-N573 WeakPolarHBondContact CA-O 3.45Å
539Q89.5Confident85.5Confident14 Ų1453.6 Ų53.67%0.06526%0.259CS..EExtended strand (participates in β ladder)trans-103.9131.4173.4-57.9-165.366.700110K519 F520 Y549 I570 E572 N573K519-Q539 WeakPolarHBondContact O-CA 3.46Å; F520-Q539 HydrophobicContact CD1-CG 4.03Å; F520-Q539 HydrophobicContact CE1-CG 3.97Å; Q539-Y549 PolarHBondContact NE2-O 2.97Å; Q539-Y549 PolarHBondContact OE1-O 3.2Å; Q539-I570 HydrophobicContact CG-CG2 4.41Å; Q539-E572 PolarHBondContact NE2-O 2.88Å; Q539-N573 PolarHBondContact N-O 3.18Å
540D84.1Confident85.6Confident22 Ų2247.8 Ų47.812%0.11824%0.241CC..EExtended strand (participates in β ladder)trans-98.2125.7162.2175.729000110.1K519 F521 T542 S543K519-D540 HydrophobicContact CB-CB 4.25Å; K519-D540 HydrophobicContact CD-CB 4.35Å; K519-D540 HydrophobicContact CG-CB 4.45Å; K519-D540 PolarHBondContact O-N 3.08Å; F521-D540 HydrophobicContact CD2-CB 4.21Å; F521-D540 HydrophobicContact CE2-CB 3.77Å; D540-T542 WeakPolarHBondContact OD1-CA 3.32Å; D540-T542 WeakPolarHBondContact OD1-CB 3.34Å; D540-T542 PolarHBondContact OD1-N 3.44Å; D540-T542 PolarHBondContact OD1-OG1 3.49Å; D540-S543 PolarHBondContact OD1-N 3.48Å; D540-S543 WeakPolarHBondContact OD2-CB 3.2Å; D540-S543 PolarHBondContact OD2-OG 2.97Å
541Y78.1Confident85.6Confident122 Ų12242.2 Ų42.248%0.47822%0.224SC..  trans-129.211.5176.867.4-80.9000111.1T546 N573Y541-T546 VanDerWaalsContact C-OG1 3.29Å; Y541-T546 VanDerWaalsContact CA-OG1 3.24Å; Y541-T546 WeakPolarHBondContact CA-OG1 3.31Å; Y541-N573 HydrophobicContact CE1-CB 4.37Å; Y541-N573 WeakPolarHBondContact CE1-ND2 3.43Å; Y541-N573 PolarHBondContact OH-ND2 2.99Å
542T78Confident85.7Confident112 Ų11242.1 Ų42.169%0.68723%0.225SC*.SBendtrans-97.9-26.3-178.665.40000112.3D540D540-T542 WeakPolarHBondContact OD1-CA 3.32Å; D540-T542 WeakPolarHBondContact OD1-CB 3.34Å; D540-T542 PolarHBondContact OD1-N 3.44Å; D540-T542 PolarHBondContact OD1-OG1 3.49Å
543S76.9Confident85.6Confident48 Ų4841.3 Ų41.334%0.33622%0.22SC..SBendtrans-66.2144.3172.2-68.50000112.2D540 G545 T546D540-S543 PolarHBondContact OD1-N 3.48Å; D540-S543 WeakPolarHBondContact OD2-CB 3.2Å; D540-S543 PolarHBondContact OD2-OG 2.97Å; S543-G545 PolarHBondContact O-N 3Å; S543-T546 PolarHBondContact O-N 2.92Å; S543-T546 VanDerWaalsContact O-N 3.16Å; S543-T546 PolarHBondContact O-OG1 3.02Å
544S70.6Confident85.6Confident64 Ų6445.9 Ų45.945%0.44824%0.24SC..THydrogen-bonded Turntrans-54.9135.3173.944.10000112L396 T546L396-S544 PolarHBondContact O-OG 3.06Å; S544-T546 PolarHBondContact O-N 3.24Å
545G74.1Confident85.6Confident13 Ų1342.8 Ų42.813%0.13423%0.226CC..THydrogen-bonded Turntrans71.810.4-179.100000115.5E395 G516 V517 S543E395-G545 WeakPolarHBondContact O-CA 3.39Å; G516-G545 CarbonylContact C-O 3.59Å; G516-G545 WeakPolarHBondContact CA-O 3.26Å; V517-G545 PolarHBondContact N-O 2.86Å; S543-G545 PolarHBondContact O-N 3Å
546T83Confident85.6Confident20 Ų2042.9 Ų42.912%0.12323%0.226CC..BIsolated β-bridgetrans-94.7153.1171.762.20000112.9L396 V517 K519 Y541 S543 S544L396-T546 HydrophobicContact CD2-CG2 3.68Å; V517-T546 WeakPolarHBondContact O-CA 3.3Å; K519-T546 HydrophobicContact CB-CG2 4.18Å; Y541-T546 VanDerWaalsContact C-OG1 3.29Å; Y541-T546 VanDerWaalsContact CA-OG1 3.24Å; Y541-T546 WeakPolarHBondContact CA-OG1 3.31Å; S543-T546 PolarHBondContact O-N 2.92Å; S543-T546 VanDerWaalsContact O-N 3.16Å; S543-T546 PolarHBondContact O-OG1 3.02Å; S544-T546 PolarHBondContact O-N 3.24Å
547Q85.1Confident85.5Confident19 Ų1941.7 Ų41.79%0.08922%0.221CC..  trans-134.6149.7173.969.21769.700112.5Q510 W511 G516 V517 V518 Y549Q510-Q547 PolarHBondContact O-NE2 3.48Å; Q510-Q547 PolarHBondContact O-OE1 3.27Å; W511-Q547 VanDerWaalsContact CE3-NE2 3.31Å; W511-Q547 VanDerWaalsContact CZ3-NE2 3.25Å; G516-Q547 PolarHBondContact O-NE2 3.01Å; V517-Q547 PolarHBondContact O-N 3.25Å; V517-Q547 VanDerWaalsContact O-N 3.09Å; V518-Q547 HydrophobicContact CG2-CG 4.15Å; Q547-Y549 PolarHBondContact O-N 2.93Å
548K86.3Confident85.4Confident79 Ų7941.6 Ų41.634%0.34322%0.22SC..  trans-70.1128.9174175.8171.5177.7169.10110.5V550 E571 N573K548-V550 HydrophobicContact CD-CG2 4.48Å; K548-V550 HydrophobicContact CG-CG2 4.48Å; K548-E571 WeakPolarHBondContact CE-O 3.39Å; K548-E571 PolarHBondContact NZ-O 3.36Å; K548-N573 WeakPolarHBondContact CD-OD1 3.39Å; K548-N573 VanDerWaalsContact CE-OD1 3.29Å; K548-N573 WeakPolarHBondContact CE-OD1 3.19Å; K548-N573 PolarHBondContact NZ-OD1 3.01Å
549Y87.6Confident85.4Confident4 Ų435.7 Ų35.72%0.01620%0.198CC..  trans-88.8143.4167.3-169.7-105000111.7Q510 W511 V518 F520 Q539 Q547 G551 P552 I570 I625Q510-Y549 VanDerWaalsContact NE2-CD2 3.27Å; W511-Y549 AromaticContact CZ2-CD2 3.96Å; W511-Y549 HydrophobicContact CZ2-CD2 3.96Å; W511-Y549 AromaticContact CZ2-CE2 3.96Å; W511-Y549 HydrophobicContact CZ2-CE2 3.96Å; V518-Y549 HydrophobicContact CG2-CD2 4.19Å; V518-Y549 HydrophobicContact CG2-CG 4.39Å; F520-Y549 HydrophobicContact CZ-CD1 4.04Å; F520-Y549 HydrophobicContact CZ-CG 4.2Å; Q539-Y549 PolarHBondContact NE2-O 2.97Å; Q539-Y549 PolarHBondContact OE1-O 3.2Å; Q547-Y549 PolarHBondContact O-N 2.93Å; Y549-G551 WeakPolarHBondContact CE1-O 3.24Å; Y549-P552 PolarHBondContact OH-O 2.95Å; Y549-I570 HydrophobicContact CD1-CB 4.21Å; Y549-I570 HydrophobicContact CD1-CD1 4.31Å; Y549-I625 HydrophobicContact CD1-CD1 4.39Å; Y549-I625 HydrophobicContact CD2-CG2 4.27Å; Y549-I625 HydrophobicContact CE1-CD1 3.8Å; Y549-I625 HydrophobicContact CE2-CD1 4Å; Y549-I625 HydrophobicContact CE2-CG1 4.18Å; Y549-I625 HydrophobicContact CE2-CG2 4.24Å
550V86.1Confident85.2Confident82 Ų8235.2 Ų35.250%0.49720%0.195SC..  trans-135129.6164.7177.20000107.1K548 I570K548-V550 HydrophobicContact CD-CG2 4.48Å; K548-V550 HydrophobicContact CG-CG2 4.48Å; V550-I570 CarbonylContact C-O 3.53Å; V550-I570 VanDerWaalsContact CA-O 3.23Å; V550-I570 WeakPolarHBondContact CA-O 3.5Å
551G86.3Confident85.1Confident13 Ų1338.3 Ų38.313%0.13421%0.212CC..EExtended strand (participates in β ladder)trans138.7-175.7179.700000114.9Y549 I570Y549-G551 WeakPolarHBondContact CE1-O 3.24Å; G551-I570 PolarHBondContact N-O 2.97Å; G551-I570 PolarHBondContact O-N 3.26Å
552P89.5Confident85.5Confident37 Ų3732.8 Ų32.824%0.2419%0.192CC..EExtended strand (participates in β ladder)trans-80.3129.3-174.728.7-33.2000112.6Y549 T567 L568 Q569Y549-P552 PolarHBondContact OH-O 2.95Å; P552-T567 HydrophobicContact CB-CG2 3.79Å; P552-L568 CarbonylContact C-O 3.59Å; P552-L568 WeakPolarHBondContact CA-O 3.44Å; P552-Q569 VanDerWaalsContact N-OE1 3.1Å
553I90.3Very high85.9Confident0 Ų029.2 Ų29.20%017%0.172CC..EExtended strand (participates in β ladder)trans-109.9142.6168.2-158160.3000110.2F520 V555 T567 L568 I570 I619 D620 I625F520-I553 HydrophobicContact CD2-CD1 4.11Å; F520-I553 HydrophobicContact CE1-CD1 4.41Å; F520-I553 HydrophobicContact CE2-CD1 3.57Å; F520-I553 HydrophobicContact CZ-CD1 3.73Å; I553-V555 HydrophobicContact CG2-CG2 4.28Å; I553-T567 WeakPolarHBondContact O-CA 3.24Å; I553-L568 HydrophobicContact CG2-CB 4.09Å; I553-L568 PolarHBondContact N-O 3.41Å; I553-L568 PolarHBondContact O-N 3.45Å; I553-I570 HydrophobicContact CB-CD1 4.02Å; I553-I570 HydrophobicContact CB-CG1 4.44Å; I553-I570 HydrophobicContact CD1-CD1 4.09Å; I553-I570 HydrophobicContact CG2-CD1 3.76Å; I553-I570 HydrophobicContact CG2-CG1 3.98Å; I553-I619 HydrophobicContact CD1-CG2 3.37Å; I553-I619 HydrophobicContact CG1-CG2 3.94Å; I553-D620 HydrophobicContact CD1-CB 4.42Å; I553-D620 HydrophobicContact CG1-CB 4.03Å; I553-I625 HydrophobicContact CB-CD1 4.35Å; I553-I625 HydrophobicContact CD1-CD1 3.8Å; I553-I625 HydrophobicContact CG1-CD1 3.82Å
554K91.1Very high86.5Confident96 Ų9629.5 Ų29.542%0.41717%0.167SC..EExtended strand (participates in β ladder)trans-83.7140.7167.9-68.3-176.5-178.2-178.50109.9H566 D620 D622K554-H566 CarbonylContact C-O 3.58Å; K554-H566 WeakPolarHBondContact CA-O 3.23Å; K554-D620 WeakPolarHBondContact O-CA 3.31Å; K554-D620 PolarHBondContact O-N 3.41Å; K554-D622 VanDerWaalsContact CD-OD2 3.24Å; K554-D622 WeakPolarHBondContact CD-OD2 3.36Å; K554-D622 WeakPolarHBondContact CE-OD2 3.27Å; K554-D622 IonicContact NZ-OD2 2.61Å; K554-D622 PolarHBondContact NZ-OD2 3.3Å
555V92.3Very high87.5Confident0 Ų031.4 Ų31.40%017%0.172CC..EExtended strand (participates in β ladder)trans-131.6123169-178.20000108.4L535 I537 I553 V557 H566 L568 I617 R618 I619L535-V555 HydrophobicContact CD2-CG1 4Å; L535-V555 HydrophobicContact CD2-CG2 4.31Å; I537-V555 HydrophobicContact CD1-CG2 4.32Å; I553-V555 HydrophobicContact CG2-CG2 4.28Å; V555-V557 HydrophobicContact CG1-CG2 4.4Å; V555-H566 PolarHBondContact N-O 2.99Å; V555-H566 PolarHBondContact O-N 3.26Å; V555-L568 HydrophobicContact CB-CD1 4.42Å; V555-L568 HydrophobicContact CG2-CD1 3.74Å; V555-L568 HydrophobicContact CG2-CG 4.25Å; V555-I617 HydrophobicContact CG1-CG2 3.79Å; V555-R618 CarbonylContact C-O 3.56Å; V555-R618 WeakPolarHBondContact CA-O 3.46Å; V555-I619 HydrophobicContact CG2-CG1 4.37Å
556T91.4Very high88.3Confident3 Ų332.5 Ų32.52%0.01817%0.174CC..EExtended strand (participates in β ladder)trans-102.9120.3177.6-58.20000108.9F564 N565 M596 R618T556-F564 WeakPolarHBondContact CA-O 3.49Å; T556-N565 WeakPolarHBondContact CB-OD1 3.41Å; T556-N565 VanDerWaalsContact CG2-OD1 3.28Å; T556-N565 WeakPolarHBondContact CG2-OD1 3.14Å; T556-N565 PolarHBondContact OG1-OD1 3.02Å; T556-M596 HydrophobicContact CG2-SD 3.98Å; T556-R618 PolarHBondContact N-O 3.23Å; T556-R618 PolarHBondContact O-N 2.98Å
557V92.1Very high88.6Confident0 Ų036 Ų360%020%0.195CC..EExtended strand (participates in β ladder)trans-105.7117.9176.2-177.60000107.8L533 V555 E559 F564 I579 L614 I617L533-V557 HydrophobicContact CD2-CG1 3.96Å; L533-V557 HydrophobicContact CD2-CG2 3.8Å; V555-V557 HydrophobicContact CG1-CG2 4.4Å; V557-E559 HydrophobicContact CG1-CG 3.97Å; V557-F564 PolarHBondContact N-O 2.98Å; V557-F564 PolarHBondContact O-N 3.03Å; V557-I579 HydrophobicContact CG2-CD1 4.37Å; V557-L614 HydrophobicContact CG1-CD2 3.68Å; V557-I617 HydrophobicContact CG1-CG1 4.49Å
558Q90.5Very high88.9Confident1 Ų135.8 Ų35.81%0.00520%0.195CC..EExtended strand (participates in β ladder)trans-87.6115.7169.4-176.171.746.700108.6P594 L615 W616Q558-P594 PolarHBondContact NE2-O 3.15Å; Q558-P594 VanDerWaalsContact NE2-O 3.12Å; Q558-L615 HydrophobicContact CB-CB 4.38Å; Q558-L615 HydrophobicContact CG-CB 4.08Å; Q558-L615 HydrophobicContact CG-CD1 3.93Å; Q558-L615 PolarHBondContact O-N 2.86Å; Q558-W616 HydrophobicContact CB-CD2 3.86Å; Q558-W616 HydrophobicContact CB-CE3 4.42Å; Q558-W616 HydrophobicContact CB-CG 4.11Å; Q558-W616 HydrophobicContact CB-CZ2 4.17Å; Q558-W616 HydrophobicContact CG-CD2 4.09Å; Q558-W616 HydrophobicContact CG-CE3 4.26Å; Q558-W616 HydrophobicContact CG-CH2 3.89Å; Q558-W616 HydrophobicContact CG-CZ2 3.74Å; Q558-W616 HydrophobicContact CG-CZ3 4.14Å; Q558-W616 PolarHBondContact N-O 3.26Å
559E89.7Confident89Confident0 Ų036.7 Ų36.70%020%0.2CC..EExtended strand (participates in β ladder)trans-107.6174.3174.9-51.6-178179.700111.4V557 D561 G562 F564 C581 H582 S583 P613 L614V557-E559 HydrophobicContact CG1-CG 3.97Å; E559-D561 VanDerWaalsContact C-N 3.33Å; E559-D561 PolarHBondContact O-N 3.24Å; E559-G562 PolarHBondContact N-O 3.24Å; E559-G562 PolarHBondContact O-N 2.83Å; E559-F564 HydrophobicContact CB-CD2 4.27Å; E559-F564 HydrophobicContact CB-CE2 4.21Å; E559-F564 HydrophobicContact CG-CD2 3.79Å; E559-F564 HydrophobicContact CG-CE2 4.13Å; E559-C581 VanDerWaalsContact OE1-CA 3.27Å; E559-C581 WeakPolarHBondContact OE1-CA 3.26Å; E559-H582 PolarHBondContact OE1-N 3.4Å; E559-H582 VanDerWaalsContact OE1-N 3.07Å; E559-H582 IonicContact OE1-ND1 2.9Å; E559-H582 PolarHBondContact OE2-N 2.83Å; E559-H582 VanDerWaalsContact OE2-N 3.12Å; E559-S583 WeakPolarHBondContact CB-OG 3.38Å; E559-S583 WeakPolarHBondContact OE2-CA 3.36Å; E559-S583 WeakPolarHBondContact OE2-CB 3.33Å; E559-S583 PolarHBondContact OE2-N 2.72Å; E559-S583 PolarHBondContact OE2-OG 2.95Å; E559-P613 CarbonylContact C-O 3.59Å; E559-P613 WeakPolarHBondContact CA-O 3.25Å; E559-L614 HydrophobicContact CG-CD2 4.25Å
560L85.3Confident89Confident4 Ų436.6 Ų36.62%0.02120%0.2CC..THydrogen-bonded Turntrans-59.4-35175.2-70.1-179.7000114.6K591 I593 L605 M608 P613 L615L560-K591 VanDerWaalsContact C-NZ 3.31Å; L560-K591 HydrophobicContact CB-CD 4.48Å; L560-K591 PolarHBondContact O-NZ 2.78Å; L560-I593 HydrophobicContact CD2-CD1 3.66Å; L560-L605 HydrophobicContact CD2-CD1 3.65Å; L560-L605 HydrophobicContact CD2-CD2 3.93Å; L560-L605 HydrophobicContact CD2-CG 4.46Å; L560-M608 HydrophobicContact CD1-CE 4.22Å; L560-M608 HydrophobicContact CD2-CE 4.13Å; L560-M608 HydrophobicContact CD2-SD 4.11Å; L560-P613 HydrophobicContact CD1-CB 4.16Å; L560-P613 HydrophobicContact CG-CB 4.3Å; L560-P613 PolarHBondContact N-O 3.13Å; L560-L615 HydrophobicContact CD2-CD2 4.12Å; L560-L615 HydrophobicContact CD2-CG 4.48Å
561D83.9Confident88.9Confident88 Ų8839.2 Ų39.247%0.47121%0.207SC..THydrogen-bonded Turntrans-95.1-2.9-178.9-67.4-59.5000113.5E559 S583 K591 P594E559-D561 VanDerWaalsContact C-N 3.33Å; E559-D561 PolarHBondContact O-N 3.24Å; D561-S583 WeakPolarHBondContact CB-OG 3.47Å; D561-S583 PolarHBondContact N-OG 2.83Å; D561-S583 VanDerWaalsContact OD2-CA 3.32Å; D561-S583 WeakPolarHBondContact OD2-CA 3.42Å; D561-S583 WeakPolarHBondContact OD2-CB 3.46Å; D561-S583 PolarHBondContact OD2-OG 2.8Å; D561-K591 IonicContact OD1-NZ 2.71Å; D561-K591 PolarHBondContact OD1-NZ 3.48Å; D561-K591 IonicContact OD2-NZ 3.39Å; D561-P594 WeakPolarHBondContact O-CG 3.49Å
562G85.4Confident88.8Confident6 Ų644.9 Ų44.96%0.06223%0.23CC..EExtended strand (participates in β ladder)trans152.2-177.6172.300000114.9E559 F564E559-G562 PolarHBondContact N-O 3.24Å; E559-G562 PolarHBondContact O-N 2.83Å; G562-F564 WeakPolarHBondContact O-CD2 3.23Å; G562-F564 WeakPolarHBondContact O-CE2 3.45Å
563S86.9Confident88.6Confident37 Ų3745.7 Ų45.726%0.25923%0.232SC..EExtended strand (participates in β ladder)trans-86.1129172.2580000111.9M596S563-M596 WeakPolarHBondContact OG-CG 3.16Å
564F89.9Confident88.4Confident54 Ų5448.1 Ų48.124%0.23725%0.249CC..EExtended strand (participates in β ladder)trans-119.6127.3177.1-61.8-85.1000111.2T556 V557 E559 G562 H582T556-F564 WeakPolarHBondContact CA-O 3.49Å; V557-F564 PolarHBondContact N-O 2.98Å; V557-F564 PolarHBondContact O-N 3.03Å; E559-F564 HydrophobicContact CB-CD2 4.27Å; E559-F564 HydrophobicContact CB-CE2 4.21Å; E559-F564 HydrophobicContact CG-CD2 3.79Å; E559-F564 HydrophobicContact CG-CE2 4.13Å; G562-F564 WeakPolarHBondContact O-CD2 3.23Å; G562-F564 WeakPolarHBondContact O-CE2 3.45Å; F564-H582 AromaticContact CD1-CE1 3.71Å; F564-H582 AromaticContact CD1-CG 3.92Å; F564-H582 AromaticContact CD1-ND1 3.46Å; F564-H582 WeakPolarHBondContact CD1-ND1 3.49Å; F564-H582 AromaticContact CD2-ND1 3.94Å; F564-H582 HydrophobicContact CE1-CB 3.97Å; F564-H582 AromaticContact CE1-CG 3.63Å; F564-H582 AromaticContact CE1-ND1 3.68Å; F564-H582 HydrophobicContact CE2-CB 3.97Å; F564-H582 AromaticContact CG-ND1 3.6Å; F564-H582 HydrophobicContact CZ-CB 3.62Å; F564-H582 AromaticContact CZ-CG 3.82Å
565N90.2Very high88.3Confident104 Ų10444.9 Ų44.956%0.55624%0.236SC*.EExtended strand (participates in β ladder)trans-99.9116.4-179.5-74.3-31.7000110.2T556T556-N565 WeakPolarHBondContact CB-OD1 3.41Å; T556-N565 VanDerWaalsContact CG2-OD1 3.28Å; T556-N565 WeakPolarHBondContact CG2-OD1 3.14Å; T556-N565 PolarHBondContact OG1-OD1 3.02Å
566H91.3Very high88.2Confident35 Ų3551.6 Ų51.616%0.16227%0.265CS..EExtended strand (participates in β ladder)trans-109.1144176.8-60.2-86.8000109.6K554 V555K554-H566 CarbonylContact C-O 3.58Å; K554-H566 WeakPolarHBondContact CA-O 3.23Å; V555-H566 PolarHBondContact N-O 2.99Å; V555-H566 PolarHBondContact O-N 3.26Å
567T90.7Very high88.1Confident93 Ų9354.5 Ų54.557%0.57128%0.278SS*.EExtended strand (participates in β ladder)trans-114.4121171.1-57.80000108.3P552 I553P552-T567 HydrophobicContact CB-CG2 3.79Å; I553-T567 WeakPolarHBondContact O-CA 3.24Å
568L90Very high88.1Confident15 Ų1558.3 Ų58.38%0.07930%0.299CS..EExtended strand (participates in β ladder)trans-110.8138.2-176.9-52.7-179.2000109.1L535 I537 P552 I553 V555 H577L535-L568 HydrophobicContact CD2-CD1 3.86Å; I537-L568 HydrophobicContact CD1-CD1 4.07Å; P552-L568 CarbonylContact C-O 3.59Å; P552-L568 WeakPolarHBondContact CA-O 3.44Å; I553-L568 HydrophobicContact CG2-CB 4.09Å; I553-L568 PolarHBondContact N-O 3.41Å; I553-L568 PolarHBondContact O-N 3.45Å; V555-L568 HydrophobicContact CB-CD1 4.42Å; V555-L568 HydrophobicContact CG2-CD1 3.74Å; V555-L568 HydrophobicContact CG2-CG 4.25Å; L568-H577 HydrophobicContact CD1-CB 4.32Å; L568-H577 HydrophobicContact CD2-CB 4.27Å
569Q89.6Confident88.2Confident99 Ų9958.5 Ų58.546%0.46330%0.3SS..EExtended strand (participates in β ladder)trans-92.3116.5176.9-67.1-69.65.500109.6P552 L575P552-Q569 VanDerWaalsContact N-OE1 3.1Å; Q569-L575 VanDerWaalsContact O-CD2 3.26Å; Q569-L575 WeakPolarHBondContact O-CD2 3.49Å
570I87.3Confident88.1Confident2 Ų262.1 Ų62.11%0.0132%0.324CS..EExtended strand (participates in β ladder)trans-89.4111.1175.9-57-172.8000108.7F520 I537 Q539 Y549 V550 G551 I553 L575F520-I570 HydrophobicContact CD1-CD1 4.22Å; F520-I570 HydrophobicContact CE1-CD1 3.39Å; F520-I570 HydrophobicContact CZ-CD1 3.79Å; I537-I570 HydrophobicContact CG2-CD1 4.37Å; Q539-I570 HydrophobicContact CG-CG2 4.41Å; Y549-I570 HydrophobicContact CD1-CB 4.21Å; Y549-I570 HydrophobicContact CD1-CD1 4.31Å; V550-I570 CarbonylContact C-O 3.53Å; V550-I570 VanDerWaalsContact CA-O 3.23Å; V550-I570 WeakPolarHBondContact CA-O 3.5Å; G551-I570 PolarHBondContact N-O 2.97Å; G551-I570 PolarHBondContact O-N 3.26Å; I553-I570 HydrophobicContact CB-CD1 4.02Å; I553-I570 HydrophobicContact CB-CG1 4.44Å; I553-I570 HydrophobicContact CD1-CD1 4.09Å; I553-I570 HydrophobicContact CG2-CD1 3.76Å; I553-I570 HydrophobicContact CG2-CG1 3.98Å; I570-L575 HydrophobicContact CG1-CD2 4.18Å
571E83.6Confident88.2Confident136 Ų13662.5 Ų62.564%0.63633%0.326SS*.  trans-116.2-41.1175.7-61.2-177.2-173.200111.2K548K548-E571 WeakPolarHBondContact CE-O 3.39Å; K548-E571 PolarHBondContact NZ-O 3.36Å
572E84.3Confident88.2Confident132 Ų13263.3 Ų63.362%0.61733%0.327SS*.SBendtrans-95.2172.9-179.4-61.8-161166.200113.8Q539Q539-E572 PolarHBondContact NE2-O 2.88Å
573N84.4Confident88.1Confident55 Ų5563 Ų6329%0.29432%0.324SS..SBendtrans-81.9-19.8179.7-58.52.9000112.1R538 Q539 Y541 K548R538-N573 CarbonylContact C-O 3.59Å; R538-N573 WeakPolarHBondContact CA-O 3.45Å; Q539-N573 PolarHBondContact N-O 3.18Å; Y541-N573 HydrophobicContact CE1-CB 4.37Å; Y541-N573 WeakPolarHBondContact CE1-ND2 3.43Å; Y541-N573 PolarHBondContact OH-ND2 2.99Å; K548-N573 WeakPolarHBondContact CD-OD1 3.39Å; K548-N573 VanDerWaalsContact CE-OD1 3.29Å; K548-N573 WeakPolarHBondContact CE-OD1 3.19Å; K548-N573 PolarHBondContact NZ-OD1 3.01Å
574S87Confident87.7Confident50 Ų5068.4 Ų68.435%0.3534%0.343SS..EExtended strand (participates in β ladder)trans-143.4105.3177.4178.60000108.5E536E536-S574 PolarHBondContact OE1-OG 3.33Å
575L88.7Confident86.8Confident28 Ų2867.2 Ų67.215%0.14734%0.341CS..EExtended strand (participates in β ladder)trans-108.7128.9-172.9-179.563.4000110.2E536 I537 Q569 I570 H577E536-L575 WeakPolarHBondContact CA-O 3.45Å; I537-L575 PolarHBondContact N-O 2.92Å; I537-L575 PolarHBondContact O-N 3.35Å; Q569-L575 VanDerWaalsContact O-CD2 3.26Å; Q569-L575 WeakPolarHBondContact O-CD2 3.49Å; I570-L575 HydrophobicContact CG1-CD2 4.18Å; L575-H577 VanDerWaalsContact CD2-CD2 3.47Å; L575-H577 WeakPolarHBondContact CD2-CD2 3.22Å
576K90.8Very high85.8Confident142 Ų14270.8 Ų70.862%0.61735%0.347SS*.EExtended strand (participates in β ladder)trans-111.1122.4171.6-63.8-170.9-177.5-124.20109.4L535 E536L535-K576 WeakPolarHBondContact O-CA 3.43Å; E536-K576 HydrophobicContact CB-CG 4.24Å; E536-K576 VanDerWaalsContact CD-NZ 3.26Å; E536-K576 HydrophobicContact CG-CG 4.05Å; E536-K576 VanDerWaalsContact OE1-CE 3.27Å; E536-K576 WeakPolarHBondContact OE1-CE 3.13Å; E536-K576 IonicContact OE1-NZ 3.31Å; E536-K576 PolarHBondContact OE1-NZ 3.5Å; E536-K576 VanDerWaalsContact OE2-CE 3.28Å; E536-K576 WeakPolarHBondContact OE2-CE 2.95Å; E536-K576 IonicContact OE2-NZ 3.67Å; E536-K576 PolarHBondContact OE2-NZ 3.18Å
577H89.5Confident84.5Confident63 Ų6378.7 Ų78.729%0.29238%0.375SS..EExtended strand (participates in β ladder)trans-124.6127.5179.5-93.5-53000111.9L535 L568 L575 I579L535-H577 PolarHBondContact N-O 3.14Å; L535-H577 PolarHBondContact O-N 2.84Å; L568-H577 HydrophobicContact CD1-CB 4.32Å; L568-H577 HydrophobicContact CD2-CB 4.27Å; L575-H577 VanDerWaalsContact CD2-CD2 3.47Å; L575-H577 WeakPolarHBondContact CD2-CD2 3.22Å; H577-I579 PolarHBondContact O-N 3.2Å
578D92Very high83.4Confident81 Ų8177.7 Ų77.743%0.43337%0.366SS..EExtended strand (participates in β ladder)trans-81.7103.3170.8-75.5-1.1000109.7R530 V532R530-D578 IonicContact CZ-OD2 3.99Å; R530-D578 IonicContact NH1-OD1 3.21Å; R530-D578 IonicContact NH1-OD2 3.97Å; R530-D578 PolarHBondContact NH1-OD2 3.34Å; R530-D578 IonicContact NH2-OD2 3.16Å; R530-D578 PolarHBondContact NH2-OD2 3.21Å; V532-D578 HydrophobicContact CG1-CB 3.6Å
579I91Very high82.5Confident4 Ų485.1 Ų85.12%0.02140%0.398CS..EExtended strand (participates in β ladder)trans-91.2120173.5-62.6176.8000108.6V532 L533 L535 V557 H577 C581V532-I579 CarbonylContact C-O 3.59Å; V532-I579 WeakPolarHBondContact CA-O 3.26Å; L533-I579 HydrophobicContact CB-CB 4.16Å; L533-I579 HydrophobicContact CD2-CB 4.46Å; L533-I579 HydrophobicContact CD2-CD1 4.37Å; L533-I579 HydrophobicContact CG-CB 4.37Å; L533-I579 PolarHBondContact N-O 3.49Å; L533-I579 PolarHBondContact O-N 3.25Å; L535-I579 HydrophobicContact CB-CD1 4.28Å; L535-I579 HydrophobicContact CD2-CD1 3.88Å; V557-I579 HydrophobicContact CG2-CD1 4.37Å; H577-I579 PolarHBondContact O-N 3.2Å; I579-C581 PolarHBondContact O-N 3.05Å
580P89.4Confident81.9Confident77 Ų7786.8 Ų86.850%0.540%0.404SS..EExtended strand (participates in β ladder)trans-72.3123.2176.329.2-32.9000110.3
581C85.7Confident81.6Confident11 Ų1188.6 Ų88.67%0.07441%0.412CS..PPolyproline II helixtrans-78.9132.6174.7-66.80000110.6F526 N531 E559 I579 P613F526-C581 HydrophobicContact CE2-CB 4.27Å; N531-C581 PolarHBondContact ND2-O 2.87Å; N531-C581 WeakPolarHBondContact O-CB 3.3Å; N531-C581 PolarHBondContact O-N 3.22Å; E559-C581 VanDerWaalsContact OE1-CA 3.27Å; E559-C581 WeakPolarHBondContact OE1-CA 3.26Å; I579-C581 PolarHBondContact O-N 3.05Å; C581-P613 HydrophobicContact CB-CG 4.5Å
582H83.8Confident81.6Confident105 Ų10587 Ų8749%0.48640%0.403SS..  trans-83.6-39-178.3-59.683.2000111.2E559 F564E559-H582 PolarHBondContact OE1-N 3.4Å; E559-H582 VanDerWaalsContact OE1-N 3.07Å; E559-H582 IonicContact OE1-ND1 2.9Å; E559-H582 PolarHBondContact OE2-N 2.83Å; E559-H582 VanDerWaalsContact OE2-N 3.12Å; F564-H582 AromaticContact CD1-CE1 3.71Å; F564-H582 AromaticContact CD1-CG 3.92Å; F564-H582 AromaticContact CD1-ND1 3.46Å; F564-H582 WeakPolarHBondContact CD1-ND1 3.49Å; F564-H582 AromaticContact CD2-ND1 3.94Å; F564-H582 HydrophobicContact CE1-CB 3.97Å; F564-H582 AromaticContact CE1-CG 3.63Å; F564-H582 AromaticContact CE1-ND1 3.68Å; F564-H582 HydrophobicContact CE2-CB 3.97Å; F564-H582 AromaticContact CG-ND1 3.6Å; F564-H582 HydrophobicContact CZ-CB 3.62Å; F564-H582 AromaticContact CZ-CG 3.82Å
583S83.8Confident81.5Confident0 Ų080.7 Ų80.70%037%0.373CS..SBendtrans-69.9151.7178.3-55.10000111.7N531 E559 D561N531-S583 PolarHBondContact ND2-O 3.42Å; E559-S583 WeakPolarHBondContact CB-OG 3.38Å; E559-S583 WeakPolarHBondContact OE2-CA 3.36Å; E559-S583 WeakPolarHBondContact OE2-CB 3.33Å; E559-S583 PolarHBondContact OE2-N 2.72Å; E559-S583 PolarHBondContact OE2-OG 2.95Å; D561-S583 WeakPolarHBondContact CB-OG 3.47Å; D561-S583 PolarHBondContact N-OG 2.83Å; D561-S583 VanDerWaalsContact OD2-CA 3.32Å; D561-S583 WeakPolarHBondContact OD2-CA 3.42Å; D561-S583 WeakPolarHBondContact OD2-CB 3.46Å; D561-S583 PolarHBondContact OD2-OG 2.8Å
584K79.4Confident81.4Confident150 Ų15080.2 Ų80.265%0.65237%0.373SS*.  trans-113.3125.9172-64.2-174.8179.5-176.30109.3R586K584-R586 PolarHBondContact O-N 2.83Å
585S69.9Low81.1Confident30 Ų3078.3 Ų78.321%0.2136%0.359CS..  trans-60.1130176.547.60000110.6R528 D611R528-S585 PolarHBondContact NH1-OG 2.92Å; S585-D611 WeakPolarHBondContact CB-O 3.43Å; S585-D611 PolarHBondContact OG-O 2.82Å
586R68.9Low80.3Confident178 Ų17881.2 Ų81.267%0.67237%0.373SS*.  trans-137.9143178.9-68.6-172-175.5-141.95.7108.2K584 N588K584-R586 PolarHBondContact O-N 2.83Å; R586-N588 PolarHBondContact O-N 3.38Å
587R64.9Low79.3Confident202 Ų20277.7 Ų77.776%0.76236%0.36SS*.  trans-75.760.2180-65-172.1174.1-176.2-3.3112.6A610 D611R587-A610 HydrophobicContact CG-CB 4.24Å; R587-D611 IonicContact NH2-OD1 3.07Å
588N67.1Low78.3Confident71 Ų7177.5 Ų77.538%0.3838%0.376SS..  trans-93.9119.3174.2-68.510.5000108.7R586 K590R586-N588 PolarHBondContact O-N 3.38Å; N588-K590 VanDerWaalsContact C-N 3.3Å; N588-K590 PolarHBondContact O-N 3.33Å
589K71.6Confident77.6Confident172 Ų17276.6 Ų76.675%0.74837%0.369SS*.SBendtrans-68.8-30.3175.6-69-170.2175.7-171.80113L605K589-L605 PolarHBondContact O-N 2.97Å
590K77.1Confident77Confident133 Ų13382.4 Ų82.458%0.57840%0.396SS*.EExtended strand (participates in β ladder)trans-135.2147.8171.6-61.4-161.6174.1-151.20109.8N588 M603 D604N588-K590 VanDerWaalsContact C-N 3.3Å; N588-K590 PolarHBondContact O-N 3.33Å; K590-M603 VanDerWaalsContact CA-O 3.28Å; K590-M603 WeakPolarHBondContact CA-O 3.42Å; K590-D604 WeakPolarHBondContact CE-OD2 3.29Å; K590-D604 IonicContact NZ-OD2 3.64Å; K590-D604 PolarHBondContact NZ-OD2 3.13Å
591K81.1Confident76.6Confident41 Ų4180.3 Ų80.318%0.17838%0.382CS..EExtended strand (participates in β ladder)trans-149.4144.6174.4-159.4-161.3168.2-170.10109.1L560 D561 I593 M603 L605L560-K591 VanDerWaalsContact C-NZ 3.31Å; L560-K591 HydrophobicContact CB-CD 4.48Å; L560-K591 PolarHBondContact O-NZ 2.78Å; D561-K591 IonicContact OD1-NZ 2.71Å; D561-K591 PolarHBondContact OD1-NZ 3.48Å; D561-K591 IonicContact OD2-NZ 3.39Å; K591-I593 HydrophobicContact CB-CD1 4.43Å; K591-I593 HydrophobicContact CB-CG1 4.17Å; K591-I593 HydrophobicContact CD-CD1 4.5Å; K591-I593 HydrophobicContact CD-CG1 4.11Å; K591-I593 HydrophobicContact CG-CG1 4.42Å; K591-M603 PolarHBondContact N-O 3.25Å; K591-M603 PolarHBondContact O-N 3.49Å; K591-L605 HydrophobicContact CB-CD1 3.87Å
592K82.4Confident76.4Confident102 Ų10284.3 Ų84.344%0.44340%0.403SS..EExtended strand (participates in β ladder)trans-73.4131158.8-70.1-166.3167.7-130.60109.8E600 V601 D602K592-E600 HydrophobicContact CD-CB 4.48Å; K592-E600 WeakPolarHBondContact CD-OE2 3.36Å; K592-V601 WeakPolarHBondContact CA-O 3.44Å; K592-D602 WeakPolarHBondContact CE-OD2 3.31Å; K592-D602 VanDerWaalsContact CG-OD1 3.23Å; K592-D602 WeakPolarHBondContact CG-OD1 3.42Å; K592-D602 IonicContact NZ-OD2 3.97Å
593I82.9Confident76.3Confident0 Ų079.3 Ų79.30%038%0.38CS..EExtended strand (participates in β ladder)trans-130.3123.3-176.3-57.9-172.8000107.5L560 K591 L595 V601 M603 L605 L615L560-I593 HydrophobicContact CD2-CD1 3.66Å; K591-I593 HydrophobicContact CB-CD1 4.43Å; K591-I593 HydrophobicContact CB-CG1 4.17Å; K591-I593 HydrophobicContact CD-CD1 4.5Å; K591-I593 HydrophobicContact CD-CG1 4.11Å; K591-I593 HydrophobicContact CG-CG1 4.42Å; I593-L595 PolarHBondContact O-N 3.25Å; I593-V601 PolarHBondContact N-O 2.91Å; I593-V601 PolarHBondContact O-N 3.25Å; I593-M603 HydrophobicContact CB-SD 4.21Å; I593-M603 HydrophobicContact CD1-CB 4.13Å; I593-M603 HydrophobicContact CD1-CG 4.37Å; I593-M603 HydrophobicContact CD1-SD 3.87Å; I593-M603 HydrophobicContact CG1-SD 4.42Å; I593-L605 HydrophobicContact CD1-CD1 4.48Å; I593-L605 HydrophobicContact CD1-CD2 4.11Å; I593-L615 HydrophobicContact CD1-CD1 3.77Å; I593-L615 HydrophobicContact CG2-CD1 3.99Å
594P83.1Confident76.1Confident45 Ų4582 Ų8229%0.29239%0.394SS..EExtended strand (participates in β ladder)trans-74.2124.2174.129.5-30.6000109.5Q558 D561Q558-P594 PolarHBondContact NE2-O 3.15Å; Q558-P594 VanDerWaalsContact NE2-O 3.12Å; D561-P594 WeakPolarHBondContact O-CG 3.49Å
595L80.4Confident76.3Confident10 Ų1075.3 Ų75.35%0.05237%0.365CS..  trans-85.1171.6173.4-60.5176.1000110.9I593 N597 G598 E599 V601 W616 Y644I593-L595 PolarHBondContact O-N 3.25Å; L595-N597 WeakPolarHBondContact CB-OD1 3.28Å; L595-N597 PolarHBondContact O-N 3.47Å; L595-G598 PolarHBondContact O-N 3.31Å; L595-E599 PolarHBondContact N-O 2.98Å; L595-V601 HydrophobicContact CD1-CB 4.32Å; L595-V601 HydrophobicContact CD1-CG2 3.54Å; L595-V601 HydrophobicContact CG-CG2 4.25Å; L595-W616 HydrophobicContact CD2-CH2 3.73Å; L595-W616 HydrophobicContact CD2-CZ2 4.06Å; L595-Y644 VanDerWaalsContact CD1-O 3.31Å; L595-Y644 WeakPolarHBondContact CD1-O 3.46Å
596M71.6Confident76.7Confident89 Ų8978.4 Ų78.444%0.43839%0.387SS..THydrogen-bonded Turntrans-55.5-25.3-180-116.9-170.672.300114.5T556 S563 R618T556-M596 HydrophobicContact CG2-SD 3.98Å; S563-M596 WeakPolarHBondContact OG-CG 3.16Å; M596-R618 PolarHBondContact SD-NH2 3.34Å; M596-R618 VanDerWaalsContact SD-NH2 3.37Å
597N69.4Low77Confident67 Ų6772.8 Ų72.836%0.35838%0.378SS..THydrogen-bonded Turntrans-91.85.2178.267.5-13.8000114L595 E599 R646L595-N597 WeakPolarHBondContact CB-OD1 3.28Å; L595-N597 PolarHBondContact O-N 3.47Å; N597-E599 VanDerWaalsContact C-N 3.29Å; N597-E599 VanDerWaalsContact ND2-CD 3.34Å; N597-E599 WeakPolarHBondContact ND2-CG 3.44Å; N597-E599 PolarHBondContact ND2-OE2 2.89Å; N597-E599 PolarHBondContact O-N 3.24Å; N597-E599 WeakPolarHBondContact OD1-CB 3.46Å; N597-E599 PolarHBondContact OD1-N 2.8Å; N597-E599 VanDerWaalsContact OD1-N 3.09Å; N597-R646 WeakPolarHBondContact ND2-CG 3.38Å
598G69.5Low77.7Confident60 Ų6064.1 Ų64.162%0.61935%0.347SS*.SBendtrans78.10.3-176.700000115.6L595 E600L595-G598 PolarHBondContact O-N 3.31Å; G598-E600 PolarHBondContact O-N 3.08Å
599E76.9Confident78.1Confident62 Ų6265.2 Ų65.229%0.2935%0.352SS..  trans-68.1118.1171-71.3-175.9123.100109.7L595 N597 V601 R646L595-E599 PolarHBondContact N-O 2.98Å; N597-E599 VanDerWaalsContact C-N 3.29Å; N597-E599 VanDerWaalsContact ND2-CD 3.34Å; N597-E599 WeakPolarHBondContact ND2-CG 3.44Å; N597-E599 PolarHBondContact ND2-OE2 2.89Å; N597-E599 PolarHBondContact O-N 3.24Å; N597-E599 WeakPolarHBondContact OD1-CB 3.46Å; N597-E599 PolarHBondContact OD1-N 2.8Å; N597-E599 VanDerWaalsContact OD1-N 3.09Å; E599-V601 HydrophobicContact CB-CG2 4.18Å; E599-V601 PolarHBondContact O-N 3.33Å; E599-R646 IonicContact OE1-NH2 3.2Å; E599-R646 PolarHBondContact OE1-NH2 2.65Å; E599-R646 IonicContact OE2-CZ 2.69Å; E599-R646 IonicContact OE2-NE 2.68Å; E599-R646 PolarHBondContact OE2-NE 2.92Å; E599-R646 IonicContact OE2-NH2 3.69Å; E599-R646 PolarHBondContact OE2-NH2 3.41Å
600E78Confident78.1Confident125 Ų12559 Ų5958%0.58433%0.333SS*.EExtended strand (participates in β ladder)trans-78.3104.6166.6-79.7-168.4176.400110.4K592 G598K592-E600 HydrophobicContact CD-CB 4.48Å; K592-E600 WeakPolarHBondContact CD-OE2 3.36Å; G598-E600 PolarHBondContact O-N 3.08Å
601V81.6Confident78Confident34 Ų3454.8 Ų54.821%0.20632%0.317CS..EExtended strand (participates in β ladder)trans-103.1133.1-179.9-173.60000111.5K592 I593 L595 E599 M603 Y644K592-V601 WeakPolarHBondContact CA-O 3.44Å; I593-V601 PolarHBondContact N-O 2.91Å; I593-V601 PolarHBondContact O-N 3.25Å; L595-V601 HydrophobicContact CD1-CB 4.32Å; L595-V601 HydrophobicContact CD1-CG2 3.54Å; L595-V601 HydrophobicContact CG-CG2 4.25Å; E599-V601 HydrophobicContact CB-CG2 4.18Å; E599-V601 PolarHBondContact O-N 3.33Å; V601-M603 PolarHBondContact O-N 2.86Å; V601-M603 VanDerWaalsContact O-N 3.16Å; V601-Y644 HydrophobicContact CB-CD1 4.46Å; V601-Y644 HydrophobicContact CG1-CD1 3.62Å; V601-Y644 HydrophobicContact CG1-CE1 3.52Å
602D80.6Confident78.1Confident95 Ų9553.6 Ų53.651%0.50831%0.314SS..EExtended strand (participates in β ladder)trans-72.997.8171.5-85.5-65000110.4K592K592-D602 WeakPolarHBondContact CE-OD2 3.31Å; K592-D602 VanDerWaalsContact CG-OD1 3.23Å; K592-D602 WeakPolarHBondContact CG-OD1 3.42Å; K592-D602 IonicContact NZ-OD2 3.97Å
603M81.7Confident78.2Confident0 Ų048.8 Ų48.80%029%0.293CS..EExtended strand (participates in β ladder)trans-91.1139.9177.7-68.2-174.355.600111.7K590 K591 I593 V601 L605 L615 W616 Y640 Y644K590-M603 VanDerWaalsContact CA-O 3.28Å; K590-M603 WeakPolarHBondContact CA-O 3.42Å; K591-M603 PolarHBondContact N-O 3.25Å; K591-M603 PolarHBondContact O-N 3.49Å; I593-M603 HydrophobicContact CB-SD 4.21Å; I593-M603 HydrophobicContact CD1-CB 4.13Å; I593-M603 HydrophobicContact CD1-CG 4.37Å; I593-M603 HydrophobicContact CD1-SD 3.87Å; I593-M603 HydrophobicContact CG1-SD 4.42Å; V601-M603 PolarHBondContact O-N 2.86Å; V601-M603 VanDerWaalsContact O-N 3.16Å; M603-L605 HydrophobicContact CB-CD2 4.26Å; M603-L615 HydrophobicContact CE-CD1 3.84Å; M603-L615 HydrophobicContact CE-CD2 3.93Å; M603-L615 HydrophobicContact CE-CG 4.45Å; M603-L615 HydrophobicContact SD-CD1 3.86Å; M603-W616 HydrophobicContact CE-CZ3 4.11Å; M603-W616 HydrophobicContact SD-CZ3 4.47Å; M603-Y640 HydrophobicContact CE-CD1 3.81Å; M603-Y640 HydrophobicContact CE-CD2 4.06Å; M603-Y640 HydrophobicContact CE-CE1 4.23Å; M603-Y640 HydrophobicContact CE-CE2 4.47Å; M603-Y640 HydrophobicContact CE-CG 3.72Å; M603-Y644 HydrophobicContact CB-CE2 4.44Å; M603-Y644 HydrophobicContact CE-CD2 3.71Å; M603-Y644 HydrophobicContact CE-CE2 3.73Å; M603-Y644 HydrophobicContact CG-CD2 4.01Å; M603-Y644 HydrophobicContact CG-CE1 4.36Å; M603-Y644 HydrophobicContact CG-CE2 3.69Å; M603-Y644 HydrophobicContact CG-CG 4.47Å; M603-Y644 HydrophobicContact SD-CD2 3.88Å; M603-Y644 HydrophobicContact SD-CE2 4.09Å; M603-Y644 HydrophobicContact SD-CG 4.41Å
604D81Confident78.5Confident57 Ų5748.9 Ų48.931%0.30529%0.294SS..EExtended strand (participates in β ladder)trans-90.6113.8169.1-163.8-48.1000109.4K590 S606 Y640K590-D604 WeakPolarHBondContact CE-OD2 3.29Å; K590-D604 IonicContact NZ-OD2 3.64Å; K590-D604 PolarHBondContact NZ-OD2 3.13Å; D604-S606 VanDerWaalsContact OD1-CB 3.23Å; D604-S606 WeakPolarHBondContact OD1-CB 3.37Å; D604-S606 PolarHBondContact OD1-N 3.18Å; D604-S606 VanDerWaalsContact OD1-N 3.14Å; D604-S606 PolarHBondContact OD1-OG 3.47Å; D604-Y640 WeakPolarHBondContact O-CE1 3.42Å; D604-Y640 PolarHBondContact O-OH 2.76Å
605L81.9Confident78.7Confident9 Ų946.7 Ų46.75%0.04728%0.28CS..  trans-97.812.1-171.4-59.5174000112.4L560 K589 K591 I593 M603 A607 M608 L615L560-L605 HydrophobicContact CD2-CD1 3.65Å; L560-L605 HydrophobicContact CD2-CD2 3.93Å; L560-L605 HydrophobicContact CD2-CG 4.46Å; K589-L605 PolarHBondContact O-N 2.97Å; K591-L605 HydrophobicContact CB-CD1 3.87Å; I593-L605 HydrophobicContact CD1-CD1 4.48Å; I593-L605 HydrophobicContact CD1-CD2 4.11Å; M603-L605 HydrophobicContact CB-CD2 4.26Å; L605-A607 PolarHBondContact O-N 3.05Å; L605-M608 HydrophobicContact CB-CE 4.49Å; L605-M608 HydrophobicContact CD2-SD 4.22Å; L605-M608 WeakPolarHBondContact O-CB 3.41Å; L605-M608 PolarHBondContact O-N 2.74Å; L605-M608 VanDerWaalsContact O-N 3.16Å; L605-L615 HydrophobicContact CD2-CD2 3.94Å
606S79.1Confident79.2Confident94 Ų9446.3 Ų46.366%0.65728%0.277SS*.THydrogen-bonded Turntrans-65.9-18-175.754.80000115.3D604D604-S606 VanDerWaalsContact OD1-CB 3.23Å; D604-S606 WeakPolarHBondContact OD1-CB 3.37Å; D604-S606 PolarHBondContact OD1-N 3.18Å; D604-S606 VanDerWaalsContact OD1-N 3.14Å; D604-S606 PolarHBondContact OD1-OG 3.47Å
607A75.6Confident80.2Confident60 Ų6042.2 Ų42.250%0.49626%0.257SS..THydrogen-bonded Turntrans-94.7-11.1175.300000113.9L605 F636L605-A607 PolarHBondContact O-N 3.05Å; A607-F636 HydrophobicContact CB-CB 4.27Å
608M79.3Confident81.1Confident20 Ų2039.5 Ų39.510%0.09924%0.242CC..SBendtrans-81.6148.7-179.8-168.8-172.772.200110.6L560 L605 A610 S612 L615 F636L560-M608 HydrophobicContact CD1-CE 4.22Å; L560-M608 HydrophobicContact CD2-CE 4.13Å; L560-M608 HydrophobicContact CD2-SD 4.11Å; L605-M608 HydrophobicContact CB-CE 4.49Å; L605-M608 HydrophobicContact CD2-SD 4.22Å; L605-M608 WeakPolarHBondContact O-CB 3.41Å; L605-M608 PolarHBondContact O-N 2.74Å; L605-M608 VanDerWaalsContact O-N 3.16Å; M608-A610 PolarHBondContact O-N 3.25Å; M608-S612 VanDerWaalsContact CE-O 3.28Å; M608-S612 WeakPolarHBondContact CE-O 3.5Å; M608-L615 HydrophobicContact SD-CD2 3.82Å; M608-F636 HydrophobicContact CB-CE2 4.33Å; M608-F636 HydrophobicContact CG-CE2 4.02Å; M608-F636 HydrophobicContact CG-CZ 4.42Å
609D76.1Confident82.2Confident94 Ų9437 Ų3750%0.50321%0.214SC..  trans-59.4120.8167.917810.2000110.1D611 S612D609-D611 PolarHBondContact O-N 2.86Å; D609-D611 PolarHBondContact OD1-N 3.2Å; D609-S612 PolarHBondContact O-N 3.14Å; D609-S612 VanDerWaalsContact O-N 3.12Å
610A70.6Confident82.8Confident42 Ų4234 Ų3435%0.34720%0.201SC..THydrogen-bonded Turntrans-56.8-18.2178.700000114.1R587 M608R587-A610 HydrophobicContact CG-CB 4.24Å; M608-A610 PolarHBondContact O-N 3.25Å
611D75.9Confident83.1Confident45 Ų4528.6 Ų28.624%0.24118%0.176CC..THydrogen-bonded Turntrans-101.3-8.6-177.3-81.20.4000114.4R528 S585 R587 D609R528-D611 IonicContact CZ-OD1 2.78Å; R528-D611 VanDerWaalsContact CZ-OD1 3.23Å; R528-D611 IonicContact CZ-OD2 2.8Å; R528-D611 IonicContact NE-OD2 3.8Å; R528-D611 PolarHBondContact NE-OD2 3.33Å; R528-D611 VanDerWaalsContact NH1-CA 3.35Å; R528-D611 VanDerWaalsContact NH1-CB 3.28Å; R528-D611 PolarHBondContact NH1-O 3.16Å; R528-D611 VanDerWaalsContact NH1-O 3.09Å; R528-D611 IonicContact NH1-OD1 2.89Å; R528-D611 PolarHBondContact NH1-OD1 3.05Å; R528-D611 IonicContact NH1-OD2 3.82Å; R528-D611 IonicContact NH2-OD1 3.56Å; R528-D611 PolarHBondContact NH2-OD1 3.28Å; R528-D611 IonicContact NH2-OD2 3.22Å; R528-D611 PolarHBondContact NH2-OD2 3.12Å; S585-D611 WeakPolarHBondContact CB-O 3.43Å; S585-D611 PolarHBondContact OG-O 2.82Å; R587-D611 IonicContact NH2-OD1 3.07Å; D609-D611 PolarHBondContact O-N 2.86Å; D609-D611 PolarHBondContact OD1-N 3.2Å
612S82.3Confident83.3Confident16 Ų1629.4 Ų29.411%0.11218%0.179CC..  trans-105.8145.7176.2-177.30000112.8M608 D609 L614M608-S612 VanDerWaalsContact CE-O 3.28Å; M608-S612 WeakPolarHBondContact CE-O 3.5Å; D609-S612 PolarHBondContact O-N 3.14Å; D609-S612 VanDerWaalsContact O-N 3.12Å; S612-L614 PolarHBondContact OG-N 3.37Å
613P84.8Confident83.6Confident0 Ų025.3 Ų25.30%016%0.157CC..  trans-104.610174.340.1-35.2000114.3F526 E559 L560 C581F526-P613 HydrophobicContact CE2-CG 4.13Å; F526-P613 HydrophobicContact CZ-CG 3.93Å; E559-P613 CarbonylContact C-O 3.59Å; E559-P613 WeakPolarHBondContact CA-O 3.25Å; L560-P613 HydrophobicContact CD1-CB 4.16Å; L560-P613 HydrophobicContact CG-CB 4.3Å; L560-P613 PolarHBondContact N-O 3.13Å; C581-P613 HydrophobicContact CB-CG 4.5Å
614L88.2Confident83.8Confident2 Ų226.8 Ų26.81%0.0117%0.167CC..EExtended strand (participates in β ladder)trans-94.3136.7-173.2-58.6175000111.7F524 F526 L533 V557 E559 S612F524-L614 HydrophobicContact CD2-CD1 4.38Å; F524-L614 HydrophobicContact CE2-CD1 4.22Å; F526-L614 HydrophobicContact CB-CD1 4.09Å; F526-L614 HydrophobicContact CD2-CD1 4.03Å; F526-L614 HydrophobicContact CD2-CG 4.48Å; F526-L614 HydrophobicContact CG-CD1 4.26Å; L533-L614 HydrophobicContact CB-CD1 4.39Å; L533-L614 HydrophobicContact CD1-CD1 3.82Å; L533-L614 HydrophobicContact CD2-CD1 4.27Å; L533-L614 HydrophobicContact CD2-CD2 4.29Å; L533-L614 HydrophobicContact CG-CD1 4.4Å; V557-L614 HydrophobicContact CG1-CD2 3.68Å; E559-L614 HydrophobicContact CG-CD2 4.25Å; S612-L614 PolarHBondContact OG-N 3.37Å
615L87.9Confident84.2Confident0 Ų024.1 Ų24.10%015%0.153CC..EExtended strand (participates in β ladder)trans-106.2-55.9179.1-63.4178000113Q558 L560 I593 M603 L605 M608 M637 Y640Q558-L615 HydrophobicContact CB-CB 4.38Å; Q558-L615 HydrophobicContact CG-CB 4.08Å; Q558-L615 HydrophobicContact CG-CD1 3.93Å; Q558-L615 PolarHBondContact O-N 2.86Å; L560-L615 HydrophobicContact CD2-CD2 4.12Å; L560-L615 HydrophobicContact CD2-CG 4.48Å; I593-L615 HydrophobicContact CD1-CD1 3.77Å; I593-L615 HydrophobicContact CG2-CD1 3.99Å; M603-L615 HydrophobicContact CE-CD1 3.84Å; M603-L615 HydrophobicContact CE-CD2 3.93Å; M603-L615 HydrophobicContact CE-CG 4.45Å; M603-L615 HydrophobicContact SD-CD1 3.86Å; L605-L615 HydrophobicContact CD2-CD2 3.94Å; M608-L615 HydrophobicContact SD-CD2 3.82Å; L615-M637 WeakPolarHBondContact O-CA 3.45Å; L615-M637 VanDerWaalsContact O-CB 3.25Å; L615-M637 WeakPolarHBondContact O-CB 3.24Å; L615-M637 WeakPolarHBondContact O-CE 3.38Å; L615-M637 WeakPolarHBondContact O-CG 2.92Å; L615-Y640 HydrophobicContact CD2-CD2 4.34Å; L615-Y640 HydrophobicContact CD2-CE2 4.47Å
616W91.1Very high84.5Confident1 Ų123.9 Ų23.90%0.00415%0.152CC..EExtended strand (participates in β ladder)trans-153.2160.917257.898000111.4Q558 L595 M603 Q641 E645Q558-W616 HydrophobicContact CB-CD2 3.86Å; Q558-W616 HydrophobicContact CB-CE3 4.42Å; Q558-W616 HydrophobicContact CB-CG 4.11Å; Q558-W616 HydrophobicContact CB-CZ2 4.17Å; Q558-W616 HydrophobicContact CG-CD2 4.09Å; Q558-W616 HydrophobicContact CG-CE3 4.26Å; Q558-W616 HydrophobicContact CG-CH2 3.89Å; Q558-W616 HydrophobicContact CG-CZ2 3.74Å; Q558-W616 HydrophobicContact CG-CZ3 4.14Å; Q558-W616 PolarHBondContact N-O 3.26Å; L595-W616 HydrophobicContact CD2-CH2 3.73Å; L595-W616 HydrophobicContact CD2-CZ2 4.06Å; M603-W616 HydrophobicContact CE-CZ3 4.11Å; M603-W616 HydrophobicContact SD-CZ3 4.47Å; W616-Q641 HydrophobicContact CB-CB 4.24Å; W616-Q641 HydrophobicContact CD2-CB 4.08Å; W616-Q641 HydrophobicContact CG-CB 3.95Å; W616-Q641 HydrophobicContact CG-CG 4.28Å; W616-E645 HydrophobicContact CZ2-CB 4.39Å; W616-E645 PolarHBondContact NE1-OE2 3.26Å
617I91.9Very high85Confident3 Ų320 Ų202%0.01512%0.123CC..EExtended strand (participates in β ladder)trans-126.6130.8178.1-57.6169.1000108.4F524 L533 V555 V557 F631 Q633F524-I617 HydrophobicContact CB-CD1 4.19Å; F524-I617 HydrophobicContact CD1-CD1 4.01Å; F524-I617 HydrophobicContact CD2-CD1 3.96Å; F524-I617 HydrophobicContact CE1-CD1 4.41Å; F524-I617 HydrophobicContact CE2-CD1 4.37Å; F524-I617 HydrophobicContact CG-CD1 3.77Å; L533-I617 HydrophobicContact CD1-CD1 4.08Å; L533-I617 HydrophobicContact CD2-CD1 3.85Å; L533-I617 HydrophobicContact CD2-CG1 4.46Å; V555-I617 HydrophobicContact CG1-CG2 3.79Å; V557-I617 HydrophobicContact CG1-CG1 4.49Å; I617-F631 HydrophobicContact CB-CE1 4.28Å; I617-F631 HydrophobicContact CB-CZ 4.04Å; I617-F631 HydrophobicContact CD1-CE1 4.48Å; I617-F631 HydrophobicContact CD1-CZ 4.16Å; I617-F631 HydrophobicContact CG2-CE2 4.29Å; I617-F631 HydrophobicContact CG2-CZ 3.91Å; I617-Q633 PolarHBondContact O-NE2 3.38Å
618R90.1Very high85.7Confident10 Ų1020.6 Ų20.64%0.03811%0.114CC..EExtended strand (participates in β ladder)trans-115.7135.1171.8-68.6-173.1-68.6-165.9-18.8110.6V555 T556 M596 E645 D647V555-R618 CarbonylContact C-O 3.56Å; V555-R618 WeakPolarHBondContact CA-O 3.46Å; T556-R618 PolarHBondContact N-O 3.23Å; T556-R618 PolarHBondContact O-N 2.98Å; M596-R618 PolarHBondContact SD-NH2 3.34Å; M596-R618 VanDerWaalsContact SD-NH2 3.37Å; R618-E645 IonicContact CZ-OE1 3.51Å; R618-E645 IonicContact CZ-OE2 2.68Å; R618-E645 VanDerWaalsContact CZ-OE2 3.23Å; R618-E645 IonicContact NE-OE2 2.73Å; R618-E645 IonicContact NH1-OE1 3.05Å; R618-E645 PolarHBondContact NH1-OE1 2.84Å; R618-E645 IonicContact NH1-OE2 3.26Å; R618-E645 IonicContact NH2-OE1 3.57Å; R618-E645 PolarHBondContact NH2-OE1 3.12Å; R618-E645 IonicContact NH2-OE2 3.48Å; R618-E645 PolarHBondContact NH2-OE2 3.14Å; R618-D647 IonicContact NH1-OD2 3.19Å; R618-D647 PolarHBondContact NH1-OD2 2.83Å
619I90.9Very high86.3Confident8 Ų821.4 Ų21.44%0.04112%0.12CC..EExtended strand (participates in β ladder)trans-97.8127.3167.8-62.4-175.2000108I537 I553 V555 R627 V629 F631I537-I619 HydrophobicContact CD1-CD1 4.21Å; I537-I619 HydrophobicContact CG1-CD1 4.35Å; I553-I619 HydrophobicContact CD1-CG2 3.37Å; I553-I619 HydrophobicContact CG1-CG2 3.94Å; V555-I619 HydrophobicContact CG2-CG1 4.37Å; I619-R627 PolarHBondContact O-NH2 2.88Å; I619-R627 VanDerWaalsContact O-NH2 3.11Å; I619-V629 HydrophobicContact CB-CG1 4.41Å; I619-V629 HydrophobicContact CD1-CG1 4.23Å; I619-V629 HydrophobicContact CG2-CG2 4.46Å; I619-F631 HydrophobicContact CD1-CD2 3.66Å; I619-F631 HydrophobicContact CD1-CE2 3.77Å; I619-F631 HydrophobicContact CG1-CD2 4.09Å; I619-F631 HydrophobicContact CG1-CE2 4.09Å
620D89.4Confident86.9Confident0 Ų019.7 Ų19.70%011%0.109CC..  trans47.763174.9175.749.4000114.6I553 K554 D622 M623 S624 I625 R627I553-D620 HydrophobicContact CD1-CB 4.42Å; I553-D620 HydrophobicContact CG1-CB 4.03Å; K554-D620 WeakPolarHBondContact O-CA 3.31Å; K554-D620 PolarHBondContact O-N 3.41Å; D620-D622 PolarHBondContact O-N 3.18Å; D620-D622 VanDerWaalsContact O-N 3.08Å; D620-M623 PolarHBondContact O-N 3.16Å; D620-M623 VanDerWaalsContact OD2-CA 3.31Å; D620-M623 WeakPolarHBondContact OD2-CA 3.19Å; D620-S624 VanDerWaalsContact CG-N 3.28Å; D620-S624 WeakPolarHBondContact OD1-CB 3.36Å; D620-S624 PolarHBondContact OD1-N 3.4Å; D620-S624 PolarHBondContact OD1-OG 3.42Å; D620-S624 PolarHBondContact OD2-N 3.27Å; D620-I625 PolarHBondContact OD2-N 3.22Å; D620-R627 PolarHBondContact O-NH2 2.81Å; D620-R627 VanDerWaalsContact OD2-CD 3.3Å; D620-R627 WeakPolarHBondContact OD2-CD 3.4Å; D620-R627 IonicContact OD2-CZ 2.65Å; D620-R627 IonicContact OD2-NE 2.82Å; D620-R627 PolarHBondContact OD2-NE 3.02Å
621P86.1Confident87.8Confident11 Ų1119.1 Ų19.17%0.07110%0.099CC..THydrogen-bonded Turntrans-64.9-11.1179.329.7-37.5000113.9R381 M623R381-P621 PolarHBondContact NH2-O 2.78Å; P621-M623 VanDerWaalsContact C-N 3.34Å
622D84.6Confident88.4Confident51 Ų5124 Ų2427%0.27312%0.12SC..THydrogen-bonded Turntrans-85.9-6.5175.4-61.5-30.9000113R447 K554 D620 S624R447-D622 VanDerWaalsContact CZ-O 3.28Å; R447-D622 PolarHBondContact NH1-O 2.79Å; R447-D622 PolarHBondContact NH2-O 3.5Å; K554-D622 VanDerWaalsContact CD-OD2 3.24Å; K554-D622 WeakPolarHBondContact CD-OD2 3.36Å; K554-D622 WeakPolarHBondContact CE-OD2 3.27Å; K554-D622 IonicContact NZ-OD2 2.61Å; K554-D622 PolarHBondContact NZ-OD2 3.3Å; D620-D622 PolarHBondContact O-N 3.18Å; D620-D622 VanDerWaalsContact O-N 3.08Å; D622-S624 VanDerWaalsContact C-N 3.27Å; D622-S624 PolarHBondContact O-N 2.9Å
623M88Confident88.7Confident8 Ų823.8 Ų23.84%0.03912%0.118CC..  trans52.346.8-172-55175.9-7100111I384 K385 R447 D620 P621 I625 V649I384-M623 HydrophobicContact CB-CE 3.96Å; I384-M623 HydrophobicContact CD1-CE 4.49Å; I384-M623 HydrophobicContact CG2-CE 3.56Å; I384-M623 HydrophobicContact CG2-SD 3.97Å; K385-M623 HydrophobicContact CB-SD 4.3Å; R447-M623 PolarHBondContact NH1-O 2.95Å; D620-M623 PolarHBondContact O-N 3.16Å; D620-M623 VanDerWaalsContact OD2-CA 3.31Å; D620-M623 WeakPolarHBondContact OD2-CA 3.19Å; P621-M623 VanDerWaalsContact C-N 3.34Å; M623-I625 PolarHBondContact O-N 3.24Å; M623-V649 HydrophobicContact CE-CG2 3.73Å; M623-V649 HydrophobicContact CG-CG1 4.37Å; M623-V649 HydrophobicContact SD-CG1 3.94Å; M623-V649 HydrophobicContact SD-CG2 3.85Å
624S84.9Confident88.9Confident31 Ų3125.7 Ų25.722%0.21713%0.133CC..  trans-85.79.1-175.169.90000113.9L448 D620 D622L448-S624 WeakPolarHBondContact CD2-O 3.38Å; D620-S624 VanDerWaalsContact CG-N 3.28Å; D620-S624 WeakPolarHBondContact OD1-CB 3.36Å; D620-S624 PolarHBondContact OD1-N 3.4Å; D620-S624 PolarHBondContact OD1-OG 3.42Å; D620-S624 PolarHBondContact OD2-N 3.27Å; D622-S624 VanDerWaalsContact C-N 3.27Å; D622-S624 PolarHBondContact O-N 2.9Å
625I88.9Confident89Confident2 Ų228.1 Ų28.11%0.0115%0.146CC..SBendtrans-141.7142.6179.7-57.9178.7000108W511 V518 F520 Y549 I553 D620 M623 R627W511-I625 HydrophobicContact CH2-CG2 3.66Å; W511-I625 HydrophobicContact CZ2-CG2 3.8Å; V518-I625 HydrophobicContact CB-CG2 4.33Å; V518-I625 HydrophobicContact CG2-CG2 4.31Å; F520-I625 HydrophobicContact CE2-CD1 4.25Å; F520-I625 HydrophobicContact CE2-CG2 4.37Å; F520-I625 HydrophobicContact CZ-CD1 4.37Å; Y549-I625 HydrophobicContact CD1-CD1 4.39Å; Y549-I625 HydrophobicContact CD2-CG2 4.27Å; Y549-I625 HydrophobicContact CE1-CD1 3.8Å; Y549-I625 HydrophobicContact CE2-CD1 4Å; Y549-I625 HydrophobicContact CE2-CG1 4.18Å; Y549-I625 HydrophobicContact CE2-CG2 4.24Å; I553-I625 HydrophobicContact CB-CD1 4.35Å; I553-I625 HydrophobicContact CD1-CD1 3.8Å; I553-I625 HydrophobicContact CG1-CD1 3.82Å; D620-I625 PolarHBondContact OD2-N 3.22Å; M623-I625 PolarHBondContact O-N 3.24Å; I625-R627 VanDerWaalsContact C-N 3.32Å; I625-R627 HydrophobicContact CB-CB 4.31Å; I625-R627 HydrophobicContact CG2-CB 4.03Å; I625-R627 PolarHBondContact O-N 3.49Å
626L89.1Confident89Confident4 Ų429.8 Ų29.82%0.02115%0.154CC..SBendtrans-73.991166.1-44.3-177.3000108.3L388 K441 L444 L448 W511 V518L388-L626 HydrophobicContact CD1-CB 4.28Å; L388-L626 HydrophobicContact CD1-CD2 4.42Å; K441-L626 HydrophobicContact CD-CD1 4.45Å; K441-L626 HydrophobicContact CG-CD1 4.01Å; L444-L626 HydrophobicContact CB-CD2 3.57Å; L444-L626 HydrophobicContact CD1-CD2 3.75Å; L444-L626 HydrophobicContact CG-CD2 4.31Å; L448-L626 HydrophobicContact CD1-CG 4.4Å; W511-L626 HydrophobicContact CD2-CG 4.47Å; W511-L626 HydrophobicContact CE3-CB 4.08Å; W511-L626 HydrophobicContact CE3-CD1 3.71Å; W511-L626 HydrophobicContact CE3-CG 3.81Å; W511-L626 HydrophobicContact CH2-CB 4.03Å; W511-L626 HydrophobicContact CH2-CG 4.4Å; W511-L626 HydrophobicContact CZ3-CB 3.53Å; W511-L626 HydrophobicContact CZ3-CD1 4.03Å; W511-L626 HydrophobicContact CZ3-CG 3.79Å; V518-L626 PolarHBondContact N-O 3.1Å
627R89.9Confident89Confident12 Ų1230 Ų305%0.04516%0.155CC..EExtended strand (participates in β ladder)trans-123.6149.4-169.367.4-179.2177.975.8-3.3113V518 F520 I619 D620 I625 V629 E653V518-R627 CarbonylContact O-C 3.56Å; V518-R627 VanDerWaalsContact O-CA 3.23Å; V518-R627 WeakPolarHBondContact O-CA 3.5Å; F520-R627 HydrophobicContact CD2-CB 4.17Å; F520-R627 HydrophobicContact CE2-CB 4.19Å; I619-R627 PolarHBondContact O-NH2 2.88Å; I619-R627 VanDerWaalsContact O-NH2 3.11Å; D620-R627 PolarHBondContact O-NH2 2.81Å; D620-R627 VanDerWaalsContact OD2-CD 3.3Å; D620-R627 WeakPolarHBondContact OD2-CD 3.4Å; D620-R627 IonicContact OD2-CZ 2.65Å; D620-R627 IonicContact OD2-NE 2.82Å; D620-R627 PolarHBondContact OD2-NE 3.02Å; I625-R627 VanDerWaalsContact C-N 3.32Å; I625-R627 HydrophobicContact CB-CB 4.31Å; I625-R627 HydrophobicContact CG2-CB 4.03Å; I625-R627 PolarHBondContact O-N 3.49Å; R627-V629 HydrophobicContact CB-CG2 4.35Å; R627-V629 HydrophobicContact CG-CG2 4.03Å; R627-E653 IonicContact NH1-OE1 2.64Å; R627-E653 PolarHBondContact NH1-OE1 3.16Å; R627-E653 IonicContact NH2-OE1 3.78Å
628K90.6Very high89Confident73 Ų7330.8 Ų30.832%0.31716%0.158SC..EExtended strand (participates in β ladder)trans-109.9131.5151-164-172-171.1-160.10108.1V392 L396 V518 K519 F520 E630V392-K628 HydrophobicContact CG1-CB 3.81Å; V392-K628 HydrophobicContact CG1-CD 3.78Å; V392-K628 HydrophobicContact CG1-CG 3.85Å; V392-K628 HydrophobicContact CG2-CB 4.46Å; L396-K628 HydrophobicContact CD1-CD 4.2Å; V518-K628 PolarHBondContact O-N 2.66Å; K519-K628 WeakPolarHBondContact CA-O 3.43Å; F520-K628 PolarHBondContact N-O 3.38Å; K628-E630 VanDerWaalsContact CE-OE1 3.25Å; K628-E630 WeakPolarHBondContact CE-OE1 3.35Å; K628-E630 IonicContact NZ-OE1 2.96Å; K628-E630 PolarHBondContact NZ-OE1 2.82Å
629V90.4Very high89Confident37 Ų3730.8 Ų30.822%0.22416%0.158CC..EExtended strand (participates in β ladder)trans-119.9125.5177.7-179.50000109.7F520 I619 R627 F631F520-V629 HydrophobicContact CB-CG2 4.23Å; F520-V629 HydrophobicContact CD2-CG2 4.1Å; F520-V629 WeakPolarHBondContact O-CA 3.41Å; I619-V629 HydrophobicContact CB-CG1 4.41Å; I619-V629 HydrophobicContact CD1-CG1 4.23Å; I619-V629 HydrophobicContact CG2-CG2 4.46Å; R627-V629 HydrophobicContact CB-CG2 4.35Å; R627-V629 HydrophobicContact CG-CG2 4.03Å; V629-F631 HydrophobicContact CG1-CB 4.29Å
630E89.3Confident88.9Confident58 Ų5830.9 Ų30.927%0.27116%0.158SC..EExtended strand (participates in β ladder)trans-113.8108.9171-74.2166.6-155.100106.8K519 F520 F521 G522 K628K519-E630 WeakPolarHBondContact CE-OE1 3.37Å; K519-E630 WeakPolarHBondContact CE-OE2 3.28Å; K519-E630 IonicContact NZ-OE1 3.7Å; K519-E630 PolarHBondContact NZ-OE1 2.88Å; K519-E630 IonicContact NZ-OE2 3.34Å; K519-E630 PolarHBondContact NZ-OE2 2.9Å; F520-E630 PolarHBondContact O-N 2.96Å; F521-E630 WeakPolarHBondContact CA-O 3.38Å; F521-E630 HydrophobicContact CD1-CB 3.98Å; F521-E630 HydrophobicContact CE1-CB 4.18Å; F521-E630 VanDerWaalsContact CE1-OE2 3.23Å; F521-E630 WeakPolarHBondContact CE1-OE2 3.03Å; G522-E630 PolarHBondContact N-O 3.09Å; K628-E630 VanDerWaalsContact CE-OE1 3.25Å; K628-E630 WeakPolarHBondContact CE-OE1 3.35Å; K628-E630 IonicContact NZ-OE1 2.96Å; K628-E630 PolarHBondContact NZ-OE1 2.82Å
631F89.8Confident88.9Confident29 Ų2931 Ų3113%0.12716%0.158CC..EExtended strand (participates in β ladder)trans-119.2135.8-172.8-160.3-79.7000111.4G522 F524 L535 I617 I619 V629 Q633G522-F631 WeakPolarHBondContact O-CA 3.32Å; F524-F631 AromaticContact CD1-CE1 3.72Å; F524-F631 HydrophobicContact CD1-CE1 3.72Å; F524-F631 HydrophobicContact CD1-CZ 4.07Å; F524-F631 HydrophobicContact CE1-CE1 4.17Å; L535-F631 HydrophobicContact CD1-CE2 4.02Å; L535-F631 HydrophobicContact CD1-CZ 3.9Å; I617-F631 HydrophobicContact CB-CE1 4.28Å; I617-F631 HydrophobicContact CB-CZ 4.04Å; I617-F631 HydrophobicContact CD1-CE1 4.48Å; I617-F631 HydrophobicContact CD1-CZ 4.16Å; I617-F631 HydrophobicContact CG2-CE2 4.29Å; I617-F631 HydrophobicContact CG2-CZ 3.91Å; I619-F631 HydrophobicContact CD1-CD2 3.66Å; I619-F631 HydrophobicContact CD1-CE2 3.77Å; I619-F631 HydrophobicContact CG1-CD2 4.09Å; I619-F631 HydrophobicContact CG1-CE2 4.09Å; V629-F631 HydrophobicContact CG1-CB 4.29Å; F631-Q633 HydrophobicContact CD1-CB 4.45Å; F631-Q633 HydrophobicContact CD1-CG 3.75Å; F631-Q633 HydrophobicContact CE1-CG 3.71Å
632E87.9Confident89.1Confident147 Ų14730.4 Ų30.469%0.68716%0.155SC*.  trans-93.3115.3179.1-64.3-175.5158.600110.8G522 F524G522-E632 PolarHBondContact O-N 3.48Å; F524-E632 WeakPolarHBondContact CE1-O 3.41Å
633Q89.1Confident89.2Confident13 Ų1330.9 Ų30.96%0.06115%0.153CC..  trans-140.2150.9178.2-9617583.700110.1F524 I617 F631 M637 W638F524-Q633 HydrophobicContact CE1-CG 3.84Å; I617-Q633 PolarHBondContact O-NE2 3.38Å; F631-Q633 HydrophobicContact CD1-CB 4.45Å; F631-Q633 HydrophobicContact CD1-CG 3.75Å; F631-Q633 HydrophobicContact CE1-CG 3.71Å; Q633-M637 HydrophobicContact CB-CB 4.25Å; Q633-M637 HydrophobicContact CB-SD 4.11Å; Q633-M637 HydrophobicContact CG-CB 4.37Å; Q633-M637 HydrophobicContact CG-CE 3.79Å; Q633-M637 HydrophobicContact CG-SD 3.82Å; Q633-W638 HydrophobicContact CB-CD2 4.44Å; Q633-W638 HydrophobicContact CB-CZ2 3.92Å; Q633-W638 PolarHBondContact O-NE1 3.05Å
634A88.8Confident89.1Confident40 Ų4032.7 Ų32.733%0.33116%0.159SC..  trans-68.5156.3176.200000111.7F636 M637A634-F636 VanDerWaalsContact C-N 3.31Å; A634-F636 HydrophobicContact CB-CD1 3.73Å; A634-F636 HydrophobicContact CB-CE1 3.5Å; A634-F636 VanDerWaalsContact CB-CE1 3.5Å; A634-F636 HydrophobicContact CB-CZ 4.22Å; A634-F636 PolarHBondContact O-N 3.43Å; A634-M637 HydrophobicContact CB-CG 4.13Å; A634-M637 HydrophobicContact CB-SD 4.02Å; A634-M637 WeakPolarHBondContact O-CB 3.43Å; A634-M637 PolarHBondContact O-N 3.36Å
635D89.4Confident89.1Confident52 Ų5231.9 Ų31.928%0.27815%0.152SC..Hα-helixtrans-60.1-38.7-174.276.4-48.3000112.7M637 W638 Q639 F661 T663D635-M637 VanDerWaalsContact C-N 3.26Å; D635-M637 PolarHBondContact O-N 3.42Å; D635-W638 PolarHBondContact O-N 3.14Å; D635-Q639 VanDerWaalsContact C-NE2 3.33Å; D635-Q639 VanDerWaalsContact O-CG 3.24Å; D635-Q639 WeakPolarHBondContact O-CG 3.37Å; D635-Q639 PolarHBondContact O-N 2.94Å; D635-Q639 PolarHBondContact O-NE2 3.4Å; D635-Q639 VanDerWaalsContact O-NE2 3.11Å; D635-Q639 PolarHBondContact OD2-NE2 2.75Å; D635-F661 HydrophobicContact CB-CB 4.1Å; D635-F661 HydrophobicContact CB-CG 4.26Å; D635-T663 PolarHBondContact OD2-OG1 3.3Å
636F88.1Confident88.8Confident35 Ų3534.7 Ų34.715%0.15416%0.163CC..Hα-helixtrans-63-30.5177.272.9-99.5000113A607 M608 A634 Q639 Y640A607-F636 HydrophobicContact CB-CB 4.27Å; M608-F636 HydrophobicContact CB-CE2 4.33Å; M608-F636 HydrophobicContact CG-CE2 4.02Å; M608-F636 HydrophobicContact CG-CZ 4.42Å; A634-F636 VanDerWaalsContact C-N 3.31Å; A634-F636 HydrophobicContact CB-CD1 3.73Å; A634-F636 HydrophobicContact CB-CE1 3.5Å; A634-F636 VanDerWaalsContact CB-CE1 3.5Å; A634-F636 HydrophobicContact CB-CZ 4.22Å; A634-F636 PolarHBondContact O-N 3.43Å; F636-Q639 PolarHBondContact O-N 3.34Å; F636-Y640 HydrophobicContact CB-CE2 4.45Å; F636-Y640 AromaticContact CD2-CD2 3.87Å; F636-Y640 HydrophobicContact CD2-CD2 3.87Å; F636-Y640 AromaticContact CD2-CE2 3.61Å; F636-Y640 HydrophobicContact CD2-CE2 3.61Å; F636-Y640 HydrophobicContact CE2-CE2 4.37Å; F636-Y640 HydrophobicContact CG-CE2 4.47Å; F636-Y640 VanDerWaalsContact O-CD2 3.25Å; F636-Y640 WeakPolarHBondContact O-CD2 3.33Å; F636-Y640 VanDerWaalsContact O-CG 3.29Å; F636-Y640 PolarHBondContact O-N 2.77Å
637M91Very high88.7Confident6 Ų635.2 Ų35.23%0.0317%0.166CC..Hα-helixtrans-68.8-47.1-178.8-56.4177.373.100109.9F524 L615 Q633 A634 D635 Q639 Y640 Q641F524-M637 HydrophobicContact CE1-CE 4.22Å; F524-M637 HydrophobicContact CE1-SD 4.31Å; F524-M637 HydrophobicContact CE2-CE 4.42Å; F524-M637 HydrophobicContact CZ-CE 3.66Å; F524-M637 HydrophobicContact CZ-SD 3.76Å; L615-M637 WeakPolarHBondContact O-CA 3.45Å; L615-M637 VanDerWaalsContact O-CB 3.25Å; L615-M637 WeakPolarHBondContact O-CB 3.24Å; L615-M637 WeakPolarHBondContact O-CE 3.38Å; L615-M637 WeakPolarHBondContact O-CG 2.92Å; Q633-M637 HydrophobicContact CB-CB 4.25Å; Q633-M637 HydrophobicContact CB-SD 4.11Å; Q633-M637 HydrophobicContact CG-CB 4.37Å; Q633-M637 HydrophobicContact CG-CE 3.79Å; Q633-M637 HydrophobicContact CG-SD 3.82Å; A634-M637 HydrophobicContact CB-CG 4.13Å; A634-M637 HydrophobicContact CB-SD 4.02Å; A634-M637 WeakPolarHBondContact O-CB 3.43Å; A634-M637 PolarHBondContact O-N 3.36Å; D635-M637 VanDerWaalsContact C-N 3.26Å; D635-M637 PolarHBondContact O-N 3.42Å; M637-Q639 VanDerWaalsContact C-N 3.33Å; M637-Q639 PolarHBondContact O-N 2.87Å; M637-Y640 PolarHBondContact O-N 3.44Å; M637-Q641 WeakPolarHBondContact O-CB 3.21Å; M637-Q641 PolarHBondContact O-N 2.97Å
638W91.9Very high88.7Confident20 Ų2034.8 Ų34.88%0.07616%0.164CC..Hα-helixtrans-63.6-35.8173-62114.9000112.8Q633 D635 L642 A654 A657 L658Q633-W638 HydrophobicContact CB-CD2 4.44Å; Q633-W638 HydrophobicContact CB-CZ2 3.92Å; Q633-W638 PolarHBondContact O-NE1 3.05Å; D635-W638 PolarHBondContact O-N 3.14Å; W638-L642 VanDerWaalsContact O-CB 3.3Å; W638-L642 WeakPolarHBondContact O-CB 3.14Å; W638-L642 PolarHBondContact O-N 3.23Å; W638-A654 HydrophobicContact CE3-CB 3.92Å; W638-A657 HydrophobicContact CD2-CB 3.54Å; W638-A657 HydrophobicContact CE3-CB 3.88Å; W638-A657 HydrophobicContact CG-CB 3.97Å; W638-A657 HydrophobicContact CH2-CB 4.18Å; W638-A657 HydrophobicContact CZ2-CB 3.88Å; W638-A657 HydrophobicContact CZ3-CB 4.18Å; W638-L658 HydrophobicContact CB-CD1 4.47Å; W638-L658 HydrophobicContact CB-CD2 3.66Å; W638-L658 HydrophobicContact CB-CG 3.87Å
639Q90.1Very high88.7Confident9 Ų931.4 Ų31.44%0.04215%0.15CC..Hα-helixtrans-66.1-38.9174.8-70.3161.343.400112.7D635 F636 M637 R643 L658 T663 A669D635-Q639 VanDerWaalsContact C-NE2 3.33Å; D635-Q639 VanDerWaalsContact O-CG 3.24Å; D635-Q639 WeakPolarHBondContact O-CG 3.37Å; D635-Q639 PolarHBondContact O-N 2.94Å; D635-Q639 PolarHBondContact O-NE2 3.4Å; D635-Q639 VanDerWaalsContact O-NE2 3.11Å; D635-Q639 PolarHBondContact OD2-NE2 2.75Å; F636-Q639 PolarHBondContact O-N 3.34Å; M637-Q639 VanDerWaalsContact C-N 3.33Å; M637-Q639 PolarHBondContact O-N 2.87Å; Q639-R643 WeakPolarHBondContact O-CB 3.47Å; Q639-R643 WeakPolarHBondContact O-CG 3.48Å; Q639-R643 PolarHBondContact O-N 3.11Å; Q639-R643 VanDerWaalsContact O-N 3.14Å; Q639-L658 HydrophobicContact CG-CD2 4Å; Q639-T663 PolarHBondContact NE2-OG1 3.06Å; Q639-A669 HydrophobicContact CB-CB 4.31Å; Q639-A669 HydrophobicContact CG-CB 4.32Å
640Y89.4Confident88.6Confident11 Ų1129.7 Ų29.74%0.04314%0.139CC..Hα-helixtrans-71.4-44.7174.8-67.3-37.3000111.7M603 D604 L615 F636 M637 L642 R643 Y644M603-Y640 HydrophobicContact CE-CD1 3.81Å; M603-Y640 HydrophobicContact CE-CD2 4.06Å; M603-Y640 HydrophobicContact CE-CE1 4.23Å; M603-Y640 HydrophobicContact CE-CE2 4.47Å; M603-Y640 HydrophobicContact CE-CG 3.72Å; D604-Y640 WeakPolarHBondContact O-CE1 3.42Å; D604-Y640 PolarHBondContact O-OH 2.76Å; L615-Y640 HydrophobicContact CD2-CD2 4.34Å; L615-Y640 HydrophobicContact CD2-CE2 4.47Å; F636-Y640 HydrophobicContact CB-CE2 4.45Å; F636-Y640 AromaticContact CD2-CD2 3.87Å; F636-Y640 HydrophobicContact CD2-CD2 3.87Å; F636-Y640 AromaticContact CD2-CE2 3.61Å; F636-Y640 HydrophobicContact CD2-CE2 3.61Å; F636-Y640 HydrophobicContact CE2-CE2 4.37Å; F636-Y640 HydrophobicContact CG-CE2 4.47Å; F636-Y640 VanDerWaalsContact O-CD2 3.25Å; F636-Y640 WeakPolarHBondContact O-CD2 3.33Å; F636-Y640 VanDerWaalsContact O-CG 3.29Å; F636-Y640 PolarHBondContact O-N 2.77Å; M637-Y640 PolarHBondContact O-N 3.44Å; Y640-L642 VanDerWaalsContact C-N 3.34Å; Y640-L642 PolarHBondContact O-N 3.02Å; Y640-R643 PolarHBondContact O-N 2.57Å; Y640-Y644 HydrophobicContact CD1-CD2 4.28Å; Y640-Y644 AromaticContact CD1-CE2 3.84Å; Y640-Y644 HydrophobicContact CD1-CE2 3.84Å; Y640-Y644 WeakPolarHBondContact O-CB 3.48Å; Y640-Y644 WeakPolarHBondContact O-CD2 3.36Å; Y640-Y644 PolarHBondContact O-N 2.88Å
641Q90.3Very high88.8Confident1 Ų127.2 Ų27.21%0.00513%0.128CC..Hα-helixtrans-55-50.3174.1-177.4171.4-53.400110.4W616 M637 R643 E645 A650 A654W616-Q641 HydrophobicContact CB-CB 4.24Å; W616-Q641 HydrophobicContact CD2-CB 4.08Å; W616-Q641 HydrophobicContact CG-CB 3.95Å; W616-Q641 HydrophobicContact CG-CG 4.28Å; M637-Q641 WeakPolarHBondContact O-CB 3.21Å; M637-Q641 PolarHBondContact O-N 2.97Å; Q641-R643 PolarHBondContact O-N 3.02Å; Q641-E645 HydrophobicContact CG-CB 4.15Å; Q641-E645 WeakPolarHBondContact O-CB 3.28Å; Q641-E645 PolarHBondContact O-N 2.94Å; Q641-A650 HydrophobicContact CG-CB 4.41Å; Q641-A650 PolarHBondContact NE2-O 3.37Å; Q641-A654 HydrophobicContact CB-CB 4.43Å; Q641-A654 HydrophobicContact CG-CB 4.28Å
642L90.4Very high88.8Confident0 Ų026 Ų260%012%0.122CC..Hα-helixtrans-59.9-44.1178176.157.6000113.2W638 Y640 Q651 A654 I655 L658 L670 I673W638-L642 VanDerWaalsContact O-CB 3.3Å; W638-L642 WeakPolarHBondContact O-CB 3.14Å; W638-L642 PolarHBondContact O-N 3.23Å; Y640-L642 VanDerWaalsContact C-N 3.34Å; Y640-L642 PolarHBondContact O-N 3.02Å; L642-Q651 HydrophobicContact CD1-CB 4.25Å; L642-A654 HydrophobicContact CB-CB 4.05Å; L642-I655 HydrophobicContact CD1-CD1 4.04Å; L642-I655 HydrophobicContact CD1-CG1 3.77Å; L642-I655 HydrophobicContact CD2-CG1 4.17Å; L642-L658 HydrophobicContact CB-CD1 4.35Å; L642-L658 HydrophobicContact CD2-CD1 3.62Å; L642-L670 HydrophobicContact CD2-CD2 3.73Å; L642-L670 HydrophobicContact CD2-CG 4.08Å; L642-I673 HydrophobicContact CD1-CG1 4.01Å; L642-I673 HydrophobicContact CG-CG1 3.94Å; L642-I673 WeakPolarHBondContact O-CD1 3.32Å
643R86.3Confident88.9Confident60 Ų6021.4 Ų21.423%0.22610%0.101CC..Hα-helixtrans-71.9-34.1-176.8-83.2-179.7168.8133.7-5.1114.5Q639 Y640 Q641 A669 D672Q639-R643 WeakPolarHBondContact O-CB 3.47Å; Q639-R643 WeakPolarHBondContact O-CG 3.48Å; Q639-R643 PolarHBondContact O-N 3.11Å; Q639-R643 VanDerWaalsContact O-N 3.14Å; Y640-R643 PolarHBondContact O-N 2.57Å; Q641-R643 PolarHBondContact O-N 3.02Å; R643-A669 HydrophobicContact CG-CB 4.08Å; R643-D672 IonicContact CZ-OD2 2.7Å; R643-D672 IonicContact NE-OD2 3.83Å; R643-D672 PolarHBondContact NE-OD2 3.04Å; R643-D672 IonicContact NH2-OD2 3.24Å; R643-D672 PolarHBondContact NH2-OD2 3.07Å
644Y85.3Confident89Confident47 Ų4720.8 Ų20.818%0.18410%0.098CC..Hα-helixtrans-119.1-32.5-163.5-60.9-57.4000113.9L595 V601 M603 Y640L595-Y644 VanDerWaalsContact CD1-O 3.31Å; L595-Y644 WeakPolarHBondContact CD1-O 3.46Å; V601-Y644 HydrophobicContact CB-CD1 4.46Å; V601-Y644 HydrophobicContact CG1-CD1 3.62Å; V601-Y644 HydrophobicContact CG1-CE1 3.52Å; M603-Y644 HydrophobicContact CB-CE2 4.44Å; M603-Y644 HydrophobicContact CE-CD2 3.71Å; M603-Y644 HydrophobicContact CE-CE2 3.73Å; M603-Y644 HydrophobicContact CG-CD2 4.01Å; M603-Y644 HydrophobicContact CG-CE1 4.36Å; M603-Y644 HydrophobicContact CG-CE2 3.69Å; M603-Y644 HydrophobicContact CG-CG 4.47Å; M603-Y644 HydrophobicContact SD-CD2 3.88Å; M603-Y644 HydrophobicContact SD-CE2 4.09Å; M603-Y644 HydrophobicContact SD-CG 4.41Å; Y640-Y644 HydrophobicContact CD1-CD2 4.28Å; Y640-Y644 AromaticContact CD1-CE2 3.84Å; Y640-Y644 HydrophobicContact CD1-CE2 3.84Å; Y640-Y644 WeakPolarHBondContact O-CB 3.48Å; Y640-Y644 WeakPolarHBondContact O-CD2 3.36Å; Y640-Y644 PolarHBondContact O-N 2.88Å
645E84.2Confident89.2Confident14 Ų1419 Ų197%0.0658%0.083CC..  trans-64.7136.8174.2-167.965-127.900110W616 R618 Q641 D647 A650 Q651W616-E645 HydrophobicContact CZ2-CB 4.39Å; W616-E645 PolarHBondContact NE1-OE2 3.26Å; R618-E645 IonicContact CZ-OE1 3.51Å; R618-E645 IonicContact CZ-OE2 2.68Å; R618-E645 VanDerWaalsContact CZ-OE2 3.23Å; R618-E645 IonicContact NE-OE2 2.73Å; R618-E645 IonicContact NH1-OE1 3.05Å; R618-E645 PolarHBondContact NH1-OE1 2.84Å; R618-E645 IonicContact NH1-OE2 3.26Å; R618-E645 IonicContact NH2-OE1 3.57Å; R618-E645 PolarHBondContact NH2-OE1 3.12Å; R618-E645 IonicContact NH2-OE2 3.48Å; R618-E645 PolarHBondContact NH2-OE2 3.14Å; Q641-E645 HydrophobicContact CG-CB 4.15Å; Q641-E645 WeakPolarHBondContact O-CB 3.28Å; Q641-E645 PolarHBondContact O-N 2.94Å; E645-D647 HydrophobicContact CG-CB 4.15Å; E645-A650 HydrophobicContact CG-CB 3.75Å; E645-Q651 PolarHBondContact O-NE2 2.95Å
646R83.3Confident89.2Confident61 Ų6120.2 Ų20.223%0.239%0.093CC..  trans-98.2-9.9179.3-56.3-53-156.9159.614.3113.8N597 E599 V648 Q676N597-R646 WeakPolarHBondContact ND2-CG 3.38Å; E599-R646 IonicContact OE1-NH2 3.2Å; E599-R646 PolarHBondContact OE1-NH2 2.65Å; E599-R646 IonicContact OE2-CZ 2.69Å; E599-R646 IonicContact OE2-NE 2.68Å; E599-R646 PolarHBondContact OE2-NE 2.92Å; E599-R646 IonicContact OE2-NH2 3.69Å; E599-R646 PolarHBondContact OE2-NH2 3.41Å; R646-V648 PolarHBondContact O-N 3.26Å; R646-Q676 VanDerWaalsContact NH1-NE2 3.19Å
647D87.1Confident89.3Confident15 Ų1519.1 Ų19.18%0.089%0.09CC..  trans-73.4117.7174.7171.726.9000111.3R381 R618 E645 V649 A650 Q651R381-D647 IonicContact CZ-OD1 2.92Å; R381-D647 IonicContact CZ-OD2 2.79Å; R381-D647 IonicContact NE-OD1 3.18Å; R381-D647 PolarHBondContact NE-OD1 3.45Å; R381-D647 IonicContact NH2-OD1 2.89Å; R381-D647 PolarHBondContact NH2-OD1 3.17Å; R381-D647 IonicContact NH2-OD2 3.23Å; R381-D647 PolarHBondContact NH2-OD2 2.88Å; R618-D647 IonicContact NH1-OD2 3.19Å; R618-D647 PolarHBondContact NH1-OD2 2.83Å; E645-D647 HydrophobicContact CG-CB 4.15Å; D647-V649 VanDerWaalsContact C-N 3.26Å; D647-V649 PolarHBondContact O-N 2.92Å; D647-V649 PolarHBondContact OD1-N 2.93Å; D647-A650 HydrophobicContact CB-CB 4.2Å; D647-A650 PolarHBondContact O-N 2.88Å; D647-Q651 WeakPolarHBondContact O-CG 3.39Å; D647-Q651 PolarHBondContact O-N 2.96Å
648V89.9Confident89.2Confident2 Ų218.8 Ų18.81%0.0129%0.088CC..Hα-helixtrans-53.7-40.6177.71720000112.4N378 H382 R646 A650 Q651 E652 F680 V683N378-V648 HydrophobicContact CB-CG2 3.92Å; H382-V648 HydrophobicContact CB-CG1 4.03Å; R646-V648 PolarHBondContact O-N 3.26Å; V648-A650 VanDerWaalsContact C-N 3.33Å; V648-A650 PolarHBondContact O-N 3.48Å; V648-Q651 PolarHBondContact O-N 3.29Å; V648-E652 HydrophobicContact CG1-CG 4.28Å; V648-E652 WeakPolarHBondContact CG1-OE1 3.45Å; V648-E652 WeakPolarHBondContact O-CG 3.34Å; V648-E652 PolarHBondContact O-N 3.23Å; V648-F680 HydrophobicContact CG1-CD1 3.84Å; V648-F680 HydrophobicContact CG1-CE1 4.39Å; V648-F680 HydrophobicContact CG2-CB 3.69Å; V648-F680 HydrophobicContact CG2-CD1 3.91Å; V648-F680 HydrophobicContact CG2-CG 3.95Å; V648-V683 HydrophobicContact CB-CG2 4.39Å; V648-V683 HydrophobicContact CG1-CG2 3.78Å; V648-V683 HydrophobicContact CG2-CG2 4.31Å
649V90.2Very high89Confident3 Ų321 Ų212%0.01810%0.099CC..Hα-helixtrans-60.4-46.8-178179.10000110.3R381 K385 M623 D647 E652 E653R381-V649 HydrophobicContact CB-CG2 4.16Å; K385-V649 HydrophobicContact CD-CG1 4.3Å; M623-V649 HydrophobicContact CE-CG2 3.73Å; M623-V649 HydrophobicContact CG-CG1 4.37Å; M623-V649 HydrophobicContact SD-CG1 3.94Å; M623-V649 HydrophobicContact SD-CG2 3.85Å; D647-V649 VanDerWaalsContact C-N 3.26Å; D647-V649 PolarHBondContact O-N 2.92Å; D647-V649 PolarHBondContact OD1-N 2.93Å; V649-E652 PolarHBondContact O-N 2.96Å; V649-E653 WeakPolarHBondContact O-CB 3.27Å; V649-E653 WeakPolarHBondContact O-CG 3.24Å; V649-E653 PolarHBondContact O-N 3.22Å
650A89.9Confident88.9Confident1 Ų128 Ų281%0.00813%0.13CC..Hα-helixtrans-70.7-34.7178.600000113.4Q641 E645 D647 V648 A654Q641-A650 HydrophobicContact CG-CB 4.41Å; Q641-A650 PolarHBondContact NE2-O 3.37Å; E645-A650 HydrophobicContact CG-CB 3.75Å; D647-A650 HydrophobicContact CB-CB 4.2Å; D647-A650 PolarHBondContact O-N 2.88Å; V648-A650 VanDerWaalsContact C-N 3.33Å; V648-A650 PolarHBondContact O-N 3.48Å; A650-A654 VanDerWaalsContact O-CB 3.31Å; A650-A654 WeakPolarHBondContact O-CB 3.42Å; A650-A654 PolarHBondContact O-N 3.31Å
651Q91.7Very high88.7Confident6 Ų631.1 Ų31.13%0.02814%0.144CC..Hα-helixtrans-62.7-43.7171.7-71.4-177-19.100111L642 E645 D647 V648 A654 I655 V683L642-Q651 HydrophobicContact CD1-CB 4.25Å; E645-Q651 PolarHBondContact O-NE2 2.95Å; D647-Q651 WeakPolarHBondContact O-CG 3.39Å; D647-Q651 PolarHBondContact O-N 2.96Å; V648-Q651 PolarHBondContact O-N 3.29Å; Q651-A654 PolarHBondContact O-N 3.34Å; Q651-I655 VanDerWaalsContact O-CG1 3.31Å; Q651-I655 WeakPolarHBondContact O-CG1 3.25Å; Q651-I655 PolarHBondContact O-N 3.2Å; Q651-V683 HydrophobicContact CB-CG1 3.95Å; Q651-V683 HydrophobicContact CB-CG2 4.27Å
652E90.9Very high88.4Confident3 Ų333.7 Ų33.71%0.01416%0.16CC..Hα-helixtrans-75.7-35.7-179.2-65.5-176.1179.700113.5H382 K385 V648 V649 A654 I655 T656 V683 Q686H382-E652 IonicContact CE1-OE1 2.92Å; H382-E652 PolarHBondContact CE1-OE1 2.83Å; H382-E652 IonicContact CE1-OE2 3.99Å; H382-E652 IonicContact CG-OE1 2.87Å; H382-E652 VanDerWaalsContact ND1-CD 3.29Å; H382-E652 IonicContact ND1-OE1 2.73Å; H382-E652 PolarHBondContact ND1-OE1 3.11Å; H382-E652 IonicContact ND1-OE2 3.21Å; H382-E652 PolarHBondContact ND1-OE2 3.19Å; H382-E652 VanDerWaalsContact ND1-OE2 3.09Å; K385-E652 IonicContact NZ-OE2 3.91Å; V648-E652 HydrophobicContact CG1-CG 4.28Å; V648-E652 WeakPolarHBondContact CG1-OE1 3.45Å; V648-E652 WeakPolarHBondContact O-CG 3.34Å; V648-E652 PolarHBondContact O-N 3.23Å; V649-E652 PolarHBondContact O-N 2.96Å; E652-A654 VanDerWaalsContact C-N 3.3Å; E652-I655 PolarHBondContact O-N 3.09Å; E652-T656 PolarHBondContact O-N 2.86Å; E652-T656 PolarHBondContact O-OG1 3.35Å; E652-V683 HydrophobicContact CG-CG2 3.92Å; E652-Q686 VanDerWaalsContact CD-NE2 3.31Å; E652-Q686 PolarHBondContact OE2-NE2 2.86Å
653E89.4Confident88.1Confident51 Ų5135.2 Ų35.224%0.23817%0.17CC..Hα-helixtrans-58-44.1167.2-78.8-176.9166.100110.3R627 V649 T656 A657R627-E653 IonicContact NH1-OE1 2.64Å; R627-E653 PolarHBondContact NH1-OE1 3.16Å; R627-E653 IonicContact NH2-OE1 3.78Å; V649-E653 WeakPolarHBondContact O-CB 3.27Å; V649-E653 WeakPolarHBondContact O-CG 3.24Å; V649-E653 PolarHBondContact O-N 3.22Å; E653-T656 PolarHBondContact O-N 3.34Å; E653-A657 WeakPolarHBondContact O-CB 3.46Å; E653-A657 PolarHBondContact O-N 2.89Å
654A91.9Very high88.1Confident0 Ų036.5 Ų36.50%019%0.185CC..Hα-helixtrans-65.3-40.9176.100000112.7W638 Q641 L642 A650 Q651 E652 T656 A657 L658W638-A654 HydrophobicContact CE3-CB 3.92Å; Q641-A654 HydrophobicContact CB-CB 4.43Å; Q641-A654 HydrophobicContact CG-CB 4.28Å; L642-A654 HydrophobicContact CB-CB 4.05Å; A650-A654 VanDerWaalsContact O-CB 3.31Å; A650-A654 WeakPolarHBondContact O-CB 3.42Å; A650-A654 PolarHBondContact O-N 3.31Å; Q651-A654 PolarHBondContact O-N 3.34Å; E652-A654 VanDerWaalsContact C-N 3.3Å; A654-T656 VanDerWaalsContact C-N 3.33Å; A654-T656 PolarHBondContact O-N 3.43Å; A654-A657 PolarHBondContact O-N 3.16Å; A654-L658 WeakPolarHBondContact O-CB 3.48Å; A654-L658 WeakPolarHBondContact O-CG 3.21Å; A654-L658 PolarHBondContact O-N 2.91Å
655I92.5Very high88Confident2 Ų236 Ų361%0.0119%0.191CC..Hα-helixtrans-59-45.4174.8-72.2166.4000110.7L642 Q651 E652 A657 L658 E659 L670 V683 Q686 A687 C690L642-I655 HydrophobicContact CD1-CD1 4.04Å; L642-I655 HydrophobicContact CD1-CG1 3.77Å; L642-I655 HydrophobicContact CD2-CG1 4.17Å; Q651-I655 VanDerWaalsContact O-CG1 3.31Å; Q651-I655 WeakPolarHBondContact O-CG1 3.25Å; Q651-I655 PolarHBondContact O-N 3.2Å; E652-I655 PolarHBondContact O-N 3.09Å; I655-A657 PolarHBondContact O-N 3.29Å; I655-L658 PolarHBondContact O-N 2.87Å; I655-E659 PolarHBondContact O-N 2.86Å; I655-L670 HydrophobicContact CG1-CD2 4.17Å; I655-V683 HydrophobicContact CD1-CG1 3.68Å; I655-Q686 HydrophobicContact CD1-CB 4.3Å; I655-Q686 HydrophobicContact CG2-CB 4.22Å; I655-A687 HydrophobicContact CD1-CB 4.03Å; I655-C690 HydrophobicContact CG2-CB 3.52Å; I655-C690 PolarHBondContact O-SG 2.91Å; I655-C690 VanDerWaalsContact O-SG 3.36Å
656T90.2Very high88.1Confident78 Ų7835.3 Ų35.348%0.47919%0.188SC..Hα-helixtrans-69.7-32.4-179.7-52.60000112E652 E653 A654E652-T656 PolarHBondContact O-N 2.86Å; E652-T656 PolarHBondContact O-OG1 3.35Å; E653-T656 PolarHBondContact O-N 3.34Å; A654-T656 VanDerWaalsContact C-N 3.33Å; A654-T656 PolarHBondContact O-N 3.43Å
657A89.3Confident88.2Confident11 Ų1134.5 Ų34.59%0.09119%0.185CC..Hα-helixtrans-69.6-41.6172.100000112.2W638 E653 A654 I655 E659 K660 F661W638-A657 HydrophobicContact CD2-CB 3.54Å; W638-A657 HydrophobicContact CE3-CB 3.88Å; W638-A657 HydrophobicContact CG-CB 3.97Å; W638-A657 HydrophobicContact CH2-CB 4.18Å; W638-A657 HydrophobicContact CZ2-CB 3.88Å; W638-A657 HydrophobicContact CZ3-CB 4.18Å; E653-A657 WeakPolarHBondContact O-CB 3.46Å; E653-A657 PolarHBondContact O-N 2.89Å; A654-A657 PolarHBondContact O-N 3.16Å; I655-A657 PolarHBondContact O-N 3.29Å; A657-E659 VanDerWaalsContact C-N 3.27Å; A657-E659 PolarHBondContact O-N 2.98Å; A657-K660 WeakPolarHBondContact O-CB 3.44Å; A657-K660 PolarHBondContact O-N 3.18Å; A657-K660 VanDerWaalsContact O-N 3.07Å; A657-F661 WeakPolarHBondContact O-CD2 3.36Å
658L89.9Confident88.2Confident0 Ų037.4 Ų37.40%020%0.2CC..Hα-helixtrans-67.3-21.9-178.8-72.7172000113.7W638 Q639 L642 A654 I655 K660 F661W638-L658 HydrophobicContact CB-CD1 4.47Å; W638-L658 HydrophobicContact CB-CD2 3.66Å; W638-L658 HydrophobicContact CB-CG 3.87Å; Q639-L658 HydrophobicContact CG-CD2 4Å; L642-L658 HydrophobicContact CB-CD1 4.35Å; L642-L658 HydrophobicContact CD2-CD1 3.62Å; A654-L658 WeakPolarHBondContact O-CB 3.48Å; A654-L658 WeakPolarHBondContact O-CG 3.21Å; A654-L658 PolarHBondContact O-N 2.91Å; I655-L658 PolarHBondContact O-N 2.87Å; L658-K660 PolarHBondContact O-N 2.88Å; L658-K660 VanDerWaalsContact O-N 3.11Å; L658-F661 CarbonylContact O-C 3.55Å; L658-F661 PolarHBondContact O-N 2.82Å
659E87.7Confident88Confident67 Ų6737.3 Ų37.331%0.31320%0.2SC..THydrogen-bonded Turntrans-56.8-23.7169.3-67.2-169.1176.100113I655 A657 C690 K693I655-E659 PolarHBondContact O-N 2.86Å; A657-E659 VanDerWaalsContact C-N 3.27Å; A657-E659 PolarHBondContact O-N 2.98Å; E659-C690 HydrophobicContact CG-CB 4.1Å; E659-C690 VanDerWaalsContact CG-SG 3.52Å; E659-K693 HydrophobicContact CG-CD 4.05Å; E659-K693 VanDerWaalsContact OE1-CD 3.29Å; E659-K693 WeakPolarHBondContact OE1-CD 3.23Å; E659-K693 WeakPolarHBondContact OE1-CE 3.42Å; E659-K693 IonicContact OE1-NZ 2.79Å; E659-K693 PolarHBondContact OE1-NZ 2.87Å; E659-K693 WeakPolarHBondContact OE2-CD 3.34Å; E659-K693 IonicContact OE2-NZ 2.82Å; E659-K693 PolarHBondContact OE2-NZ 2.8Å
660K86.3Confident87.9Confident155 Ų15537.2 Ų37.267%0.67420%0.199SC*.THydrogen-bonded Turntrans-85.3-13.4175.8-53.2177-175.3175.90113.4A657 L658 P662A657-K660 WeakPolarHBondContact O-CB 3.44Å; A657-K660 PolarHBondContact O-N 3.18Å; A657-K660 VanDerWaalsContact O-N 3.07Å; L658-K660 PolarHBondContact O-N 2.88Å; L658-K660 VanDerWaalsContact O-N 3.11Å; K660-P662 WeakPolarHBondContact O-CD 3.33Å
661F86.1Confident87.8Confident77 Ų7737.8 Ų37.834%0.33820%0.202SC..  trans-126.676.6-170.4-61.6-67000111.9D635 A657 L658 T663 S666D635-F661 HydrophobicContact CB-CB 4.1Å; D635-F661 HydrophobicContact CB-CG 4.26Å; A657-F661 WeakPolarHBondContact O-CD2 3.36Å; L658-F661 CarbonylContact O-C 3.55Å; L658-F661 PolarHBondContact O-N 2.82Å; F661-T663 PolarHBondContact O-N 3.4Å; F661-T663 VanDerWaalsContact O-N 3.08Å; F661-S666 PolarHBondContact O-OG 3.42Å
662P83.7Confident87.6Confident55 Ų5540.5 Ų40.536%0.35722%0.217SC..  trans-77.396.5-179.531.8-35.1000111.4K660 I694 S697 M698K660-P662 WeakPolarHBondContact O-CD 3.33Å; P662-I694 HydrophobicContact CB-CG1 4.48Å; P662-I694 HydrophobicContact CB-CG2 4.13Å; P662-S697 WeakPolarHBondContact CB-OG 3.5Å; P662-M698 HydrophobicContact CB-CG 3.83Å
663T85.5Confident87.5Confident32 Ų3240.4 Ų40.420%0.19622%0.217CC..  trans-128156.5-179.776.60000111D635 Q639 F661 A665 S666 R667 M698D635-T663 PolarHBondContact OD2-OG1 3.3Å; Q639-T663 PolarHBondContact NE2-OG1 3.06Å; F661-T663 PolarHBondContact O-N 3.4Å; F661-T663 VanDerWaalsContact O-N 3.08Å; T663-A665 PolarHBondContact O-N 2.95Å; T663-A665 VanDerWaalsContact O-N 3.1Å; T663-S666 PolarHBondContact N-OG 2.85Å; T663-S666 PolarHBondContact O-N 3.2Å; T663-S666 PolarHBondContact O-OG 2.95Å; T663-S666 VanDerWaalsContact O-OG 3.09Å; T663-S666 PolarHBondContact OG1-N 3.2Å; T663-S666 VanDerWaalsContact OG1-N 3.11Å; T663-S666 PolarHBondContact OG1-OG 3.05Å; T663-R667 PolarHBondContact O-N 3.01Å; T663-R667 VanDerWaalsContact O-N 3.09Å; T663-M698 VanDerWaalsContact C-SD 3.51Å
664P84.3Confident87.3Confident86 Ų8638 Ų3856%0.55821%0.205SC*.Hα-helixtrans-59-27177.2-20.831.1000112.4L668 M698P664-L668 WeakPolarHBondContact O-CG 3.09Å; P664-L668 PolarHBondContact O-N 3.3Å; P664-M698 HydrophobicContact CG-CE 3.86Å
665A83.9Confident87Confident37 Ų3741.5 Ų41.531%0.30622%0.222SC..Hα-helixtrans-81.3-38.1-179.400000112.6T663 L668 A669T663-A665 PolarHBondContact O-N 2.95Å; T663-A665 VanDerWaalsContact O-N 3.1Å; A665-L668 PolarHBondContact O-N 3.34Å; A665-A669 PolarHBondContact O-N 3.35Å
666S85.9Confident86.7Confident0 Ų044.3 Ų44.30%024%0.235CC..Hα-helixtrans-65.4-40.7171.4640000111.9F661 T663 L668 A669 L670F661-S666 PolarHBondContact O-OG 3.42Å; T663-S666 PolarHBondContact N-OG 2.85Å; T663-S666 PolarHBondContact O-N 3.2Å; T663-S666 PolarHBondContact O-OG 2.95Å; T663-S666 VanDerWaalsContact O-OG 3.09Å; T663-S666 PolarHBondContact OG1-N 3.2Å; T663-S666 VanDerWaalsContact OG1-N 3.11Å; T663-S666 PolarHBondContact OG1-OG 3.05Å; S666-L668 VanDerWaalsContact C-N 3.32Å; S666-L668 PolarHBondContact O-N 3.46Å; S666-A669 PolarHBondContact O-N 3.34Å; S666-L670 WeakPolarHBondContact O-CD1 3.23Å; S666-L670 WeakPolarHBondContact O-CG 3.38Å; S666-L670 PolarHBondContact O-N 3.37Å
667R86.3Confident86.1Confident44 Ų4447.9 Ų47.917%0.16625%0.246CC..Hα-helixtrans-56.4-42.4170.5-167.8-159.861.167.6-0.2112.5T663 T671 L691 I694T663-R667 PolarHBondContact O-N 3.01Å; T663-R667 VanDerWaalsContact O-N 3.09Å; R667-T671 PolarHBondContact O-N 3.09Å; R667-T671 VanDerWaalsContact O-N 3.13Å; R667-T671 PolarHBondContact O-OG1 2.93Å; R667-L691 HydrophobicContact CB-CD1 4.47Å; R667-L691 HydrophobicContact CG-CD1 3.54Å; R667-I694 HydrophobicContact CB-CG2 4.4Å
668L85.9Confident85.7Confident76 Ų7653.3 Ų53.340%0.39827%0.27SS..Hα-helixtrans-67.7-47.9176.4-77168.5000111.7P664 A665 S666 L670 T671 D672P664-L668 WeakPolarHBondContact O-CG 3.09Å; P664-L668 PolarHBondContact O-N 3.3Å; A665-L668 PolarHBondContact O-N 3.34Å; S666-L668 VanDerWaalsContact C-N 3.32Å; S666-L668 PolarHBondContact O-N 3.46Å; L668-L670 VanDerWaalsContact C-N 3.29Å; L668-L670 PolarHBondContact O-N 2.81Å; L668-T671 WeakPolarHBondContact O-CA 3.49Å; L668-T671 WeakPolarHBondContact O-CB 3.24Å; L668-T671 PolarHBondContact O-N 3.16Å; L668-D672 PolarHBondContact O-N 2.68Å
669A87.1Confident85.4Confident0 Ų053.5 Ų53.50%027%0.271CS..Hα-helixtrans-56.9-41.5179.100000112.8Q639 R643 A665 S666 D672 I673Q639-A669 HydrophobicContact CB-CB 4.31Å; Q639-A669 HydrophobicContact CG-CB 4.32Å; R643-A669 HydrophobicContact CG-CB 4.08Å; A665-A669 PolarHBondContact O-N 3.35Å; S666-A669 PolarHBondContact O-N 3.34Å; A669-D672 PolarHBondContact O-N 3.46Å; A669-I673 WeakPolarHBondContact O-CG1 3.45Å; A669-I673 PolarHBondContact O-N 2.85Å
670L88.1Confident85.4Confident0 Ų051.2 Ų51.20%026%0.26CS..Hα-helixtrans-65.4-38.9172.7-71.3160000112.2L642 I655 S666 L668 I673 L674 A687 C690 L691 I694L642-L670 HydrophobicContact CD2-CD2 3.73Å; L642-L670 HydrophobicContact CD2-CG 4.08Å; I655-L670 HydrophobicContact CG1-CD2 4.17Å; S666-L670 WeakPolarHBondContact O-CD1 3.23Å; S666-L670 WeakPolarHBondContact O-CG 3.38Å; S666-L670 PolarHBondContact O-N 3.37Å; L668-L670 VanDerWaalsContact C-N 3.29Å; L668-L670 PolarHBondContact O-N 2.81Å; L670-I673 PolarHBondContact O-N 3.03Å; L670-L674 WeakPolarHBondContact O-CG 3.3Å; L670-L674 PolarHBondContact O-N 2.85Å; L670-A687 HydrophobicContact CD2-CB 3.75Å; L670-C690 HydrophobicContact CD1-CB 4.38Å; L670-C690 HydrophobicContact CD2-CB 4.23Å; L670-L691 HydrophobicContact CB-CB 4.43Å; L670-L691 HydrophobicContact CB-CD1 4.45Å; L670-L691 HydrophobicContact CD1-CB 4.5Å; L670-I694 HydrophobicContact CD1-CD1 3.46Å; L670-I694 VanDerWaalsContact CD1-CD1 3.46Å
671T88.1Confident85.4Confident14 Ų1445.6 Ų45.69%0.08624%0.235CC..Hα-helixtrans-62.7-44.8176.6-52.30000110.9R667 L668 I673 L674 E675R667-T671 PolarHBondContact O-N 3.09Å; R667-T671 VanDerWaalsContact O-N 3.13Å; R667-T671 PolarHBondContact O-OG1 2.93Å; L668-T671 WeakPolarHBondContact O-CA 3.49Å; L668-T671 WeakPolarHBondContact O-CB 3.24Å; L668-T671 PolarHBondContact O-N 3.16Å; T671-I673 VanDerWaalsContact C-N 3.32Å; T671-I673 PolarHBondContact O-N 2.89Å; T671-L674 PolarHBondContact O-N 2.73Å; T671-E675 PolarHBondContact O-N 2.82Å
672D87.4Confident85.6Confident63 Ų6344 Ų4434%0.33723%0.228SC..Hα-helixtrans-58.8-42.8178.3-54.5-34000111.5R643 L668 A669 L674 E675 Q676R643-D672 IonicContact CZ-OD2 2.7Å; R643-D672 IonicContact NE-OD2 3.83Å; R643-D672 PolarHBondContact NE-OD2 3.04Å; R643-D672 IonicContact NH2-OD2 3.24Å; R643-D672 PolarHBondContact NH2-OD2 3.07Å; L668-D672 PolarHBondContact O-N 2.68Å; A669-D672 PolarHBondContact O-N 3.46Å; D672-L674 PolarHBondContact O-N 3.1Å; D672-E675 PolarHBondContact O-N 3.29Å; D672-Q676 PolarHBondContact O-N 3.49Å; D672-Q676 VanDerWaalsContact O-N 3.07Å
673I87.9Confident85.9Confident1 Ų141.4 Ų41.41%0.00521%0.211CC..Hα-helixtrans-67-33.9179.4-72.4-67.3000112.8L642 A669 L670 T671 E675 Q676 V683 R684 A687L642-I673 HydrophobicContact CD1-CG1 4.01Å; L642-I673 HydrophobicContact CG-CG1 3.94Å; L642-I673 WeakPolarHBondContact O-CD1 3.32Å; A669-I673 WeakPolarHBondContact O-CG1 3.45Å; A669-I673 PolarHBondContact O-N 2.85Å; L670-I673 PolarHBondContact O-N 3.03Å; T671-I673 VanDerWaalsContact C-N 3.32Å; T671-I673 PolarHBondContact O-N 2.89Å; I673-E675 VanDerWaalsContact C-N 3.33Å; I673-Q676 PolarHBondContact O-N 2.7Å; I673-V683 HydrophobicContact CG2-CG1 4.21Å; I673-R684 HydrophobicContact CG2-CG 4.29Å; I673-R684 VanDerWaalsContact O-CD 3.29Å; I673-R684 WeakPolarHBondContact O-CD 3.45Å; I673-R684 WeakPolarHBondContact O-CG 3.45Å; I673-A687 HydrophobicContact CG2-CB 4.38Å
674L85.7Confident86.1Confident0 Ų040.4 Ų40.40%020%0.203CC..Hα-helixtrans-67-35.7174.4-65178.3000112.1L670 T671 D672 R684 A687 C688 L691 L711 L738L670-L674 WeakPolarHBondContact O-CG 3.3Å; L670-L674 PolarHBondContact O-N 2.85Å; T671-L674 PolarHBondContact O-N 2.73Å; D672-L674 PolarHBondContact O-N 3.1Å; L674-R684 HydrophobicContact CD2-CB 3.95Å; L674-R684 HydrophobicContact CD2-CG 4.39Å; L674-R684 WeakPolarHBondContact CD2-O 3.41Å; L674-A687 HydrophobicContact CD2-CB 3.91Å; L674-A687 HydrophobicContact CG-CB 4.44Å; L674-C688 WeakPolarHBondContact CD2-SG 3.48Å; L674-L691 HydrophobicContact CD1-CD2 3.74Å; L674-L711 HydrophobicContact CB-CD2 3.77Å; L674-L711 HydrophobicContact CD1-CD2 3.67Å; L674-L711 HydrophobicContact CG-CD2 4.37Å; L674-L738 HydrophobicContact CD2-CD1 4.19Å
675E85.4Confident86.4Confident74 Ų7438.6 Ų38.635%0.34619%0.188SC..Hα-helixtrans-74.7-26.3177.3-67.9-177-146.300113.4T671 D672 I673 E677 L711 R714T671-E675 PolarHBondContact O-N 2.82Å; D672-E675 PolarHBondContact O-N 3.29Å; I673-E675 VanDerWaalsContact C-N 3.33Å; E675-E677 PolarHBondContact O-N 2.96Å; E675-E677 VanDerWaalsContact O-N 3.14Å; E675-L711 HydrophobicContact CG-CD1 3.5Å; E675-L711 VanDerWaalsContact CG-CD1 3.5Å; E675-R714 VanDerWaalsContact CD-NH1 3.3Å; E675-R714 IonicContact OE1-CZ 2.83Å; E675-R714 IonicContact OE1-NH1 3.77Å; E675-R714 PolarHBondContact OE1-NH1 2.77Å; E675-R714 IonicContact OE1-NH2 2.96Å; E675-R714 PolarHBondContact OE1-NH2 3.43Å; E675-R714 IonicContact OE2-CZ 3.79Å; E675-R714 IonicContact OE2-NH1 3.91Å; E675-R714 PolarHBondContact OE2-NH1 2.65Å; E675-R714 IonicContact OE2-NH2 3.27Å; E675-R714 PolarHBondContact OE2-NH2 3.17Å
676Q85.2Confident86.7Confident61 Ų6139.6 Ų39.629%0.28519%0.186SC..  trans-78.9100.8-173.4-171.7163.98.100112.6R646 D672 I673 Q678 C679 R684R646-Q676 VanDerWaalsContact NH1-NE2 3.19Å; D672-Q676 PolarHBondContact O-N 3.49Å; D672-Q676 VanDerWaalsContact O-N 3.07Å; I673-Q676 PolarHBondContact O-N 2.7Å; Q676-Q678 HydrophobicContact CG-CB 4.33Å; Q676-Q678 PolarHBondContact O-N 2.78Å; Q676-C679 PolarHBondContact O-N 2.74Å; Q676-R684 VanDerWaalsContact O-CZ 3.3Å
677E78.6Confident86.9Confident153 Ų15339.6 Ų39.672%0.71519%0.186SC*.THydrogen-bonded Turntrans-57.8-14-178.8-68.3-170.5169.900115.6E675 R684 Q734E675-E677 PolarHBondContact O-N 2.96Å; E675-E677 VanDerWaalsContact O-N 3.14Å; E677-R684 PolarHBondContact O-NH2 3.26Å; E677-Q734 PolarHBondContact O-OE1 3.45Å; E677-Q734 VanDerWaalsContact O-OE1 3.12Å
678Q81.2Confident87.1Confident124 Ų12437.5 Ų37.558%0.57918%0.179SC*.THydrogen-bonded Turntrans-83.8-18.5175.9-65.9174.2-32.600114.1Q676Q676-Q678 HydrophobicContact CG-CB 4.33Å; Q676-Q678 PolarHBondContact O-N 2.78Å
679C83.1Confident87.3Confident5 Ų537.1 Ų37.13%0.03417%0.174CC..SBendtrans-77.1145.9-173.6-67.50000112Q676 R684Q676-C679 PolarHBondContact O-N 2.74Å; C679-R684 HydrophobicContact CB-CG 4.31Å; C679-R684 VanDerWaalsContact O-CZ 3.31Å; C679-R684 PolarHBondContact O-NE 3.47Å; C679-R684 PolarHBondContact O-NH2 2.99Å
680F87.3Confident87.3Confident19 Ų1937.1 Ų37.18%0.08317%0.174CC..  trans-59.1143.1-176.4-174.8-123.8000111.9N378 E379 H382 V648 K682 V683 R684N378-F680 HydrophobicContact CB-CD2 4.14Å; N378-F680 HydrophobicContact CB-CE2 4.39Å; N378-F680 HydrophobicContact CB-CG 4.46Å; E379-F680 HydrophobicContact CB-CE2 4.15Å; E379-F680 HydrophobicContact CB-CZ 3.8Å; E379-F680 HydrophobicContact CG-CZ 4.14Å; H382-F680 HydrophobicContact CB-CE1 4.07Å; V648-F680 HydrophobicContact CG1-CD1 3.84Å; V648-F680 HydrophobicContact CG1-CE1 4.39Å; V648-F680 HydrophobicContact CG2-CB 3.69Å; V648-F680 HydrophobicContact CG2-CD1 3.91Å; V648-F680 HydrophobicContact CG2-CG 3.95Å; F680-K682 HydrophobicContact CD1-CB 4Å; F680-K682 HydrophobicContact CE1-CB 3.68Å; F680-K682 HydrophobicContact CE1-CD 4.24Å; F680-K682 HydrophobicContact CE1-CG 3.92Å; F680-K682 HydrophobicContact CZ-CG 4.33Å; F680-K682 PolarHBondContact O-N 3.01Å; F680-V683 HydrophobicContact CB-CB 4.46Å; F680-V683 HydrophobicContact CB-CG2 4.02Å; F680-V683 HydrophobicContact CD1-CG2 4.2Å; F680-V683 WeakPolarHBondContact O-CB 3.28Å; F680-V683 PolarHBondContact O-N 3.3Å; F680-R684 PolarHBondContact O-N 2.97Å
681Y87.7Confident87.3Confident36 Ų3637.4 Ų37.414%0.14118%0.175CC..Hα-helixtrans-67.5-40.5-168.469.3-90.2000112.3E379 V683 R684 M685 F737E379-Y681 VanDerWaalsContact CD-OH 3.32Å; E379-Y681 WeakPolarHBondContact OE2-CE1 3.49Å; E379-Y681 PolarHBondContact OE2-OH 3.21Å; Y681-V683 PolarHBondContact O-N 2.87Å; Y681-R684 PolarHBondContact O-N 3.25Å; Y681-M685 HydrophobicContact CD2-SD 3.9Å; Y681-M685 HydrophobicContact CE2-SD 4.38Å; Y681-M685 WeakPolarHBondContact O-CG 3.48Å; Y681-M685 PolarHBondContact O-N 2.75Å; Y681-F737 HydrophobicContact CD2-CB 4.08Å; Y681-F737 AromaticContact CD2-CD2 3.51Å; Y681-F737 HydrophobicContact CD2-CD2 3.51Å; Y681-F737 HydrophobicContact CD2-CE2 4.18Å; Y681-F737 AromaticContact CD2-CG 3.96Å; Y681-F737 HydrophobicContact CD2-CG 3.96Å; Y681-F737 AromaticContact CE2-CD2 3.74Å; Y681-F737 HydrophobicContact CE2-CD2 3.74Å; Y681-F737 AromaticContact CE2-CE2 3.95Å; Y681-F737 HydrophobicContact CE2-CE2 3.95Å; Y681-F737 HydrophobicContact CE2-CG 4.29Å; Y681-F737 HydrophobicContact CG-CD2 4.09Å
682K88.9Confident87.2Confident44 Ų4436.8 Ų36.819%0.19117%0.172CC..Hα-helixtrans-64.5-35.2174.7-66.5-164.5177.6-169.80113.1H382 E386 F680 R684 M685 Q686H382-K682 VanDerWaalsContact CD2-CD 3.44Å; H382-K682 WeakPolarHBondContact CD2-CD 3.35Å; H382-K682 PolarHBondContact CD2-NZ 3.22Å; H382-K682 VanDerWaalsContact CE1-CD 3.48Å; H382-K682 WeakPolarHBondContact CE1-CD 3.5Å; H382-K682 WeakPolarHBondContact NE2-CD 3.14Å; H382-K682 PolarHBondContact NE2-NZ 3.06Å; E386-K682 VanDerWaalsContact CD-NZ 3.3Å; E386-K682 IonicContact OE1-NZ 3Å; E386-K682 PolarHBondContact OE1-NZ 3.48Å; E386-K682 IonicContact OE2-NZ 2.71Å; E386-K682 PolarHBondContact OE2-NZ 2.82Å; F680-K682 HydrophobicContact CD1-CB 4Å; F680-K682 HydrophobicContact CE1-CB 3.68Å; F680-K682 HydrophobicContact CE1-CD 4.24Å; F680-K682 HydrophobicContact CE1-CG 3.92Å; F680-K682 HydrophobicContact CZ-CG 4.33Å; F680-K682 PolarHBondContact O-N 3.01Å; K682-R684 VanDerWaalsContact C-N 3.31Å; K682-R684 PolarHBondContact O-N 3.34Å; K682-M685 HydrophobicContact CG-SD 4.39Å; K682-M685 WeakPolarHBondContact O-CB 3.37Å; K682-M685 PolarHBondContact O-N 3.04Å; K682-Q686 PolarHBondContact O-N 3.26Å
683V90.6Very high87.2Confident0 Ų038.8 Ų38.80%018%0.177CC..Hα-helixtrans-59.8-43.8173176.10000110.2V648 Q651 E652 I655 I673 F680 Y681 Q686 A687V648-V683 HydrophobicContact CB-CG2 4.39Å; V648-V683 HydrophobicContact CG1-CG2 3.78Å; V648-V683 HydrophobicContact CG2-CG2 4.31Å; Q651-V683 HydrophobicContact CB-CG1 3.95Å; Q651-V683 HydrophobicContact CB-CG2 4.27Å; E652-V683 HydrophobicContact CG-CG2 3.92Å; I655-V683 HydrophobicContact CD1-CG1 3.68Å; I673-V683 HydrophobicContact CG2-CG1 4.21Å; F680-V683 HydrophobicContact CB-CB 4.46Å; F680-V683 HydrophobicContact CB-CG2 4.02Å; F680-V683 HydrophobicContact CD1-CG2 4.2Å; F680-V683 WeakPolarHBondContact O-CB 3.28Å; F680-V683 PolarHBondContact O-N 3.3Å; Y681-V683 PolarHBondContact O-N 2.87Å; V683-Q686 PolarHBondContact O-N 3.21Å; V683-A687 VanDerWaalsContact O-CB 3.27Å; V683-A687 WeakPolarHBondContact O-CB 3.42Å; V683-A687 PolarHBondContact O-N 2.8Å
684R90.6Very high87.2Confident11 Ų1138.7 Ų38.74%0.04218%0.177CC..Hα-helixtrans-65.7-38.5175.4-70.2-170.3-103.6173-2.5112.3I673 L674 Q676 E677 C679 F680 Y681 K682 A687 C688 L738I673-R684 HydrophobicContact CG2-CG 4.29Å; I673-R684 VanDerWaalsContact O-CD 3.29Å; I673-R684 WeakPolarHBondContact O-CD 3.45Å; I673-R684 WeakPolarHBondContact O-CG 3.45Å; L674-R684 HydrophobicContact CD2-CB 3.95Å; L674-R684 HydrophobicContact CD2-CG 4.39Å; L674-R684 WeakPolarHBondContact CD2-O 3.41Å; Q676-R684 VanDerWaalsContact O-CZ 3.3Å; E677-R684 PolarHBondContact O-NH2 3.26Å; C679-R684 HydrophobicContact CB-CG 4.31Å; C679-R684 VanDerWaalsContact O-CZ 3.31Å; C679-R684 PolarHBondContact O-NE 3.47Å; C679-R684 PolarHBondContact O-NH2 2.99Å; F680-R684 PolarHBondContact O-N 2.97Å; Y681-R684 PolarHBondContact O-N 3.25Å; K682-R684 VanDerWaalsContact C-N 3.31Å; K682-R684 PolarHBondContact O-N 3.34Å; R684-A687 PolarHBondContact O-N 3.08Å; R684-C688 PolarHBondContact O-N 3.49Å; R684-L738 HydrophobicContact CB-CD1 4.31Å
685M90.3Very high87Confident48 Ų4839.5 Ų39.524%0.23618%0.184CC..Hα-helixtrans-60.7-48.4173.3-64.4162.867.100111.9Y681 K682 A687 C688 F689 F737 T741Y681-M685 HydrophobicContact CD2-SD 3.9Å; Y681-M685 HydrophobicContact CE2-SD 4.38Å; Y681-M685 WeakPolarHBondContact O-CG 3.48Å; Y681-M685 PolarHBondContact O-N 2.75Å; K682-M685 HydrophobicContact CG-SD 4.39Å; K682-M685 WeakPolarHBondContact O-CB 3.37Å; K682-M685 PolarHBondContact O-N 3.04Å; M685-A687 VanDerWaalsContact C-N 3.35Å; M685-A687 PolarHBondContact O-N 2.91Å; M685-C688 WeakPolarHBondContact O-CB 3.38Å; M685-C688 PolarHBondContact O-N 3.35Å; M685-F689 WeakPolarHBondContact O-CD2 3.48Å; M685-F689 PolarHBondContact O-N 3.16Å; M685-F737 HydrophobicContact SD-CB 4.02Å; M685-T741 HydrophobicContact CB-CG2 4.08Å; M685-T741 HydrophobicContact CG-CG2 4.33Å
686Q89.6Confident86.9Confident58 Ų5838.5 Ų38.527%0.27118%0.18SC..Hα-helixtrans-62.6-40.4175.2-68.2-17611.400111.9E652 I655 K682 V683 C688 F689 C690E652-Q686 VanDerWaalsContact CD-NE2 3.31Å; E652-Q686 PolarHBondContact OE2-NE2 2.86Å; I655-Q686 HydrophobicContact CD1-CB 4.3Å; I655-Q686 HydrophobicContact CG2-CB 4.22Å; K682-Q686 PolarHBondContact O-N 3.26Å; V683-Q686 PolarHBondContact O-N 3.21Å; Q686-C688 VanDerWaalsContact C-N 3.3Å; Q686-C688 PolarHBondContact O-N 2.82Å; Q686-F689 PolarHBondContact O-N 2.71Å; Q686-F689 VanDerWaalsContact O-N 3.13Å; Q686-C690 PolarHBondContact O-N 3.03Å
687A90.3Very high86.8Confident0 Ų038.7 Ų38.70%019%0.189CC..Hα-helixtrans-62.5-33.7176.700000112.6I655 L670 I673 L674 V683 R684 M685 L691I655-A687 HydrophobicContact CD1-CB 4.03Å; L670-A687 HydrophobicContact CD2-CB 3.75Å; I673-A687 HydrophobicContact CG2-CB 4.38Å; L674-A687 HydrophobicContact CD2-CB 3.91Å; L674-A687 HydrophobicContact CG-CB 4.44Å; V683-A687 VanDerWaalsContact O-CB 3.27Å; V683-A687 WeakPolarHBondContact O-CB 3.42Å; V683-A687 PolarHBondContact O-N 2.8Å; R684-A687 PolarHBondContact O-N 3.08Å; M685-A687 VanDerWaalsContact C-N 3.35Å; M685-A687 PolarHBondContact O-N 2.91Å; A687-L691 WeakPolarHBondContact O-CB 3.45Å; A687-L691 PolarHBondContact O-N 3.46Å
688C89.8Confident86.8Confident0 Ų032.2 Ų32.20%016%0.159CC..Hα-helixtrans-61.2-45.7170.8-75.80000112.2L674 R684 M685 Q686 L691 A692 M708 T741 A745L674-C688 WeakPolarHBondContact CD2-SG 3.48Å; R684-C688 PolarHBondContact O-N 3.49Å; M685-C688 WeakPolarHBondContact O-CB 3.38Å; M685-C688 PolarHBondContact O-N 3.35Å; Q686-C688 VanDerWaalsContact C-N 3.3Å; Q686-C688 PolarHBondContact O-N 2.82Å; C688-L691 PolarHBondContact O-N 3.42Å; C688-A692 PolarHBondContact O-N 3.36Å; C688-A692 VanDerWaalsContact O-N 3.1Å; C688-M708 HydrophobicContact CB-CE 4.33Å; C688-T741 HydrophobicContact CB-CG2 4.33Å; C688-A745 HydrophobicContact CB-CB 3.74Å
689F90.4Very high86.2Confident69 Ų6928.5 Ų28.530%0.30314%0.142SC..Hα-helixtrans-68.6-41.5179.4-67.7-63.5000112.6M685 Q686 A692 K693 T741 V744 A745 L748M685-F689 WeakPolarHBondContact O-CD2 3.48Å; M685-F689 PolarHBondContact O-N 3.16Å; Q686-F689 PolarHBondContact O-N 2.71Å; Q686-F689 VanDerWaalsContact O-N 3.13Å; F689-A692 PolarHBondContact O-N 3.17Å; F689-K693 WeakPolarHBondContact O-CG 3.32Å; F689-K693 PolarHBondContact O-N 2.92Å; F689-T741 HydrophobicContact CD2-CG2 4.22Å; F689-T741 HydrophobicContact CE1-CG2 4.45Å; F689-T741 HydrophobicContact CE2-CG2 3.5Å; F689-T741 VanDerWaalsContact CE2-CG2 3.5Å; F689-T741 HydrophobicContact CZ-CG2 3.64Å; F689-V744 HydrophobicContact CE1-CG1 4.23Å; F689-A745 HydrophobicContact CD1-CB 3.93Å; F689-A745 HydrophobicContact CE1-CB 4.14Å; F689-L748 HydrophobicContact CD1-CD1 3.91Å; F689-L748 HydrophobicContact CE1-CD1 4.16Å
690C88.3Confident85.4Confident0 Ų033.3 Ų33.30%018%0.176CC..Hα-helixtrans-63-41.9174.2-179.60000111.7I655 E659 L670 Q686 A692 K693 I694I655-C690 HydrophobicContact CG2-CB 3.52Å; I655-C690 PolarHBondContact O-SG 2.91Å; I655-C690 VanDerWaalsContact O-SG 3.36Å; E659-C690 HydrophobicContact CG-CB 4.1Å; E659-C690 VanDerWaalsContact CG-SG 3.52Å; L670-C690 HydrophobicContact CD1-CB 4.38Å; L670-C690 HydrophobicContact CD2-CB 4.23Å; Q686-C690 PolarHBondContact O-N 3.03Å; C690-A692 VanDerWaalsContact C-N 3.31Å; C690-A692 PolarHBondContact O-N 2.73Å; C690-K693 PolarHBondContact O-N 2.79Å; C690-I694 WeakPolarHBondContact O-CB 3.47Å; C690-I694 WeakPolarHBondContact O-CG1 3.45Å; C690-I694 PolarHBondContact O-N 3.13Å
691L87.9Confident84.4Confident5 Ų537.3 Ų37.33%0.02620%0.202CC..Hα-helixtrans-60.1-38.6174.7179.260.9000112.3R667 L670 L674 A687 C688 A695 M708R667-L691 HydrophobicContact CB-CD1 4.47Å; R667-L691 HydrophobicContact CG-CD1 3.54Å; L670-L691 HydrophobicContact CB-CB 4.43Å; L670-L691 HydrophobicContact CB-CD1 4.45Å; L670-L691 HydrophobicContact CD1-CB 4.5Å; L674-L691 HydrophobicContact CD1-CD2 3.74Å; A687-L691 WeakPolarHBondContact O-CB 3.45Å; A687-L691 PolarHBondContact O-N 3.46Å; C688-L691 PolarHBondContact O-N 3.42Å; L691-A695 VanDerWaalsContact O-CB 3.25Å; L691-A695 WeakPolarHBondContact O-CB 3.28Å; L691-A695 PolarHBondContact O-N 2.95Å; L691-M708 HydrophobicContact CD2-CG 3.69Å; L691-M708 HydrophobicContact CD2-SD 4.22Å; L691-M708 HydrophobicContact CG-CG 4.24Å; L691-M708 HydrophobicContact CG-SD 4.24Å
692A86.2Confident83.2Confident1 Ų140.1 Ų40.11%0.00821%0.212CC..Hα-helixtrans-67.4-45.2175.300000112.3C688 F689 C690 I694 A695 N696 A745 L748 L749C688-A692 PolarHBondContact O-N 3.36Å; C688-A692 VanDerWaalsContact O-N 3.1Å; F689-A692 PolarHBondContact O-N 3.17Å; C690-A692 VanDerWaalsContact C-N 3.31Å; C690-A692 PolarHBondContact O-N 2.73Å; A692-I694 PolarHBondContact O-N 3.48Å; A692-A695 PolarHBondContact O-N 3.27Å; A692-N696 VanDerWaalsContact O-CG 3.26Å; A692-N696 PolarHBondContact O-N 3.27Å; A692-N696 VanDerWaalsContact O-N 3.1Å; A692-N696 PolarHBondContact O-OD1 3.06Å; A692-A745 VanDerWaalsContact CB-O 3.28Å; A692-A745 WeakPolarHBondContact CB-O 3.47Å; A692-L748 HydrophobicContact CB-CB 4.34Å; A692-L749 HydrophobicContact CB-CD2 4.21Å
693K87.4Confident81.5Confident105 Ų10547.2 Ų47.246%0.45725%0.246SC..Hα-helixtrans-57.9-48.2174.7-71170.5178.41760111.8E659 F689 C690 N696 S697E659-K693 HydrophobicContact CG-CD 4.05Å; E659-K693 VanDerWaalsContact OE1-CD 3.29Å; E659-K693 WeakPolarHBondContact OE1-CD 3.23Å; E659-K693 WeakPolarHBondContact OE1-CE 3.42Å; E659-K693 IonicContact OE1-NZ 2.79Å; E659-K693 PolarHBondContact OE1-NZ 2.87Å; E659-K693 WeakPolarHBondContact OE2-CD 3.34Å; E659-K693 IonicContact OE2-NZ 2.82Å; E659-K693 PolarHBondContact OE2-NZ 2.8Å; F689-K693 WeakPolarHBondContact O-CG 3.32Å; F689-K693 PolarHBondContact O-N 2.92Å; C690-K693 PolarHBondContact O-N 2.79Å; K693-N696 PolarHBondContact O-N 3.43Å; K693-S697 PolarHBondContact O-N 3.38Å; K693-S697 PolarHBondContact O-OG 3.18Å
694I86.1Confident79.9Confident0 Ų048.3 Ų48.30%026%0.257CS..Hα-helixtrans-63.1-47178-72.9165000110.6P662 R667 L670 C690 A692 N696 S697 M698P662-I694 HydrophobicContact CB-CG1 4.48Å; P662-I694 HydrophobicContact CB-CG2 4.13Å; R667-I694 HydrophobicContact CB-CG2 4.4Å; L670-I694 HydrophobicContact CD1-CD1 3.46Å; L670-I694 VanDerWaalsContact CD1-CD1 3.46Å; C690-I694 WeakPolarHBondContact O-CB 3.47Å; C690-I694 WeakPolarHBondContact O-CG1 3.45Å; C690-I694 PolarHBondContact O-N 3.13Å; A692-I694 PolarHBondContact O-N 3.48Å; I694-N696 VanDerWaalsContact C-N 3.3Å; I694-N696 PolarHBondContact O-N 2.84Å; I694-S697 PolarHBondContact O-N 2.93Å; I694-S697 VanDerWaalsContact O-N 3.12Å; I694-S697 PolarHBondContact O-OG 3.16Å; I694-M698 HydrophobicContact CG2-CG 4.01Å; I694-M698 HydrophobicContact CG2-SD 3.88Å; I694-M698 WeakPolarHBondContact O-CB 3.06Å; I694-M698 WeakPolarHBondContact O-CG 3.37Å; I694-M698 PolarHBondContact O-N 3.18Å
695A82.8Confident78.4Confident17 Ų1753.1 Ų53.114%0.1429%0.29CS..Hα-helixtrans-54.5-45.1178.500000112.5L691 A692 S697 M698 M699 L749L691-A695 VanDerWaalsContact O-CB 3.25Å; L691-A695 WeakPolarHBondContact O-CB 3.28Å; L691-A695 PolarHBondContact O-N 2.95Å; A692-A695 PolarHBondContact O-N 3.27Å; A695-S697 PolarHBondContact O-N 2.91Å; A695-M698 PolarHBondContact O-N 3.3Å; A695-M699 PolarHBondContact O-N 3.39Å; A695-L749 HydrophobicContact CB-CD2 3.62Å
696N82.9Confident77.2Confident52 Ų5252.4 Ų52.428%0.27829%0.289SS..Hα-helixtrans-59.2-47.3177-65.9-8.1000111.9A692 K693 I694 M698 M699 L748 L749 R750A692-N696 VanDerWaalsContact O-CG 3.26Å; A692-N696 PolarHBondContact O-N 3.27Å; A692-N696 VanDerWaalsContact O-N 3.1Å; A692-N696 PolarHBondContact O-OD1 3.06Å; K693-N696 PolarHBondContact O-N 3.43Å; I694-N696 VanDerWaalsContact C-N 3.3Å; I694-N696 PolarHBondContact O-N 2.84Å; N696-M698 VanDerWaalsContact C-N 3.29Å; N696-M698 PolarHBondContact O-N 2.89Å; N696-M699 PolarHBondContact O-N 2.79Å; N696-L748 PolarHBondContact ND2-O 2.93Å; N696-L749 VanDerWaalsContact OD1-CA 3.28Å; N696-L749 WeakPolarHBondContact OD1-CA 3.38Å; N696-R750 PolarHBondContact OD1-N 2.92Å
697S83.3Confident76.3Confident65 Ų6550.9 Ų50.946%0.45529%0.286SS..Hα-helixtrans-69.3-23.3178.864.80000114.2P662 K693 I694 A695P662-S697 WeakPolarHBondContact CB-OG 3.5Å; K693-S697 PolarHBondContact O-N 3.38Å; K693-S697 PolarHBondContact O-OG 3.18Å; I694-S697 PolarHBondContact O-N 2.93Å; I694-S697 VanDerWaalsContact O-N 3.12Å; I694-S697 PolarHBondContact O-OG 3.16Å; A695-S697 PolarHBondContact O-N 2.91Å
698M77.4Confident75.6Confident18 Ų1851.1 Ų51.19%0.08929%0.287CS..Hα-helixtrans-89.7-7179.7-70.6-156.979.900114.3P662 T663 P664 I694 A695 N696 S700 T701P662-M698 HydrophobicContact CB-CG 3.83Å; T663-M698 VanDerWaalsContact C-SD 3.51Å; P664-M698 HydrophobicContact CG-CE 3.86Å; I694-M698 HydrophobicContact CG2-CG 4.01Å; I694-M698 HydrophobicContact CG2-SD 3.88Å; I694-M698 WeakPolarHBondContact O-CB 3.06Å; I694-M698 WeakPolarHBondContact O-CG 3.37Å; I694-M698 PolarHBondContact O-N 3.18Å; A695-M698 PolarHBondContact O-N 3.3Å; N696-M698 VanDerWaalsContact C-N 3.29Å; N696-M698 PolarHBondContact O-N 2.89Å; M698-S700 PolarHBondContact O-N 2.59Å; M698-S700 VanDerWaalsContact O-N 3.1Å; M698-T701 PolarHBondContact O-N 3.47Å; M698-T701 PolarHBondContact O-OG1 3.12Å
699M69.2Low75.1Confident46 Ų4653.2 Ų53.223%0.22730%0.296CS..G310 helixtrans-59.9-28-167.4-163.662.4-172.500114.2A695 N696 T701 D751 V752A695-M699 PolarHBondContact O-N 3.39Å; N696-M699 PolarHBondContact O-N 2.79Å; M699-T701 PolarHBondContact O-N 2.72Å; M699-D751 VanDerWaalsContact CE-OD1 3.25Å; M699-D751 WeakPolarHBondContact CE-OD1 3.22Å; M699-V752 HydrophobicContact CG-CG2 3.84Å
700S67.1Low74.5Confident106 Ų10653.7 Ų53.774%0.74131%0.308SS*.G310 helixtrans-66.4-18.6173.357.90000114.3M698M698-S700 PolarHBondContact O-N 2.59Å; M698-S700 VanDerWaalsContact O-N 3.1Å
701T66.4Low74.2Confident103 Ų10353.8 Ų53.863%0.63231%0.309SS*.G310 helixtrans-106.9-7.4-176.467.10000113.9M698 M699M698-T701 PolarHBondContact O-N 3.47Å; M698-T701 PolarHBondContact O-OG1 3.12Å; M699-T701 PolarHBondContact O-N 2.72Å
702W60.9Low73.9Confident94 Ų9453.5 Ų53.536%0.35631%0.308SS..  trans-149.3121.4-169.5-172.861.6000113.4P705 A707W702-P705 VanDerWaalsContact CH2-O 3.3Å; W702-P705 WeakPolarHBondContact CH2-O 3.15Å; W702-A707 HydrophobicContact CH2-CB 4.41Å
703Q54.8Low73.7Confident194 Ų19455.2 Ų55.291%0.90732%0.318SS*.  trans-106.225.4176.7-63.8-176.7-17.100112.8
704G56.5Low73.4Confident23 Ų2356.6 Ų56.624%0.23732%0.32CS..  trans-79155.7-179.600000113.1
705P58.3Low73Confident111 Ų11158.9 Ų58.972%0.72133%0.332SS*.  trans-62.3143.2175.827.1-34.7000110.7W702 A707W702-P705 VanDerWaalsContact CH2-O 3.3Å; W702-P705 WeakPolarHBondContact CH2-O 3.15Å; P705-A707 PolarHBondContact O-N 3.26Å
706P66.3Low72.8Confident33 Ų3359.2 Ų59.221%0.21433%0.33CS..  trans-59.6114.1-170.121.8-33.2000111.5M708 K709 L749 V760P706-M708 PolarHBondContact O-N 2.9Å; P706-K709 HydrophobicContact CG-CB 4.16Å; P706-K709 WeakPolarHBondContact O-CB 3.42Å; P706-K709 PolarHBondContact O-N 3.09Å; P706-L749 HydrophobicContact CB-CD1 4.15Å; P706-V760 HydrophobicContact CG-CG2 4.4Å
707A69.1Low72.5Confident27 Ų2756.8 Ų56.822%0.22332%0.317CS..Hα-helixtrans-55.8-33.2-172.400000112.8W702 P705 K709 S710 L711W702-A707 HydrophobicContact CH2-CB 4.41Å; P705-A707 PolarHBondContact O-N 3.26Å; A707-K709 VanDerWaalsContact C-N 3.34Å; A707-K709 PolarHBondContact O-N 3.13Å; A707-S710 PolarHBondContact O-N 3.49Å; A707-L711 WeakPolarHBondContact O-CB 3.31Å; A707-L711 PolarHBondContact O-N 3.45Å
708M76.8Confident71.8Confident4 Ų455.6 Ų55.62%0.0231%0.308CS..Hα-helixtrans-62.2-35.2177.4-59.6176.181.300113.1C688 L691 P706 L711 F712 A745 M746 L749C688-M708 HydrophobicContact CB-CE 4.33Å; L691-M708 HydrophobicContact CD2-CG 3.69Å; L691-M708 HydrophobicContact CD2-SD 4.22Å; L691-M708 HydrophobicContact CG-CG 4.24Å; L691-M708 HydrophobicContact CG-SD 4.24Å; P706-M708 PolarHBondContact O-N 2.9Å; M708-L711 PolarHBondContact O-N 2.68Å; M708-F712 WeakPolarHBondContact O-CB 3.48Å; M708-F712 PolarHBondContact O-N 3.45Å; M708-A745 HydrophobicContact CE-CB 3.66Å; M708-M746 HydrophobicContact CB-CG 3.54Å; M708-M746 HydrophobicContact CB-SD 3.95Å; M708-M746 HydrophobicContact CE-CG 4.04Å; M708-M746 HydrophobicContact CG-CG 4.44Å; M708-M746 HydrophobicContact SD-CG 4.17Å; M708-L749 HydrophobicContact SD-CD1 4.12Å; M708-L749 HydrophobicContact SD-CD2 4.22Å; M708-L749 HydrophobicContact SD-CG 4.41Å
709K78.1Confident71.1Confident44 Ų4464.3 Ų64.319%0.19135%0.345CS..Hα-helixtrans-66.9-46.8175.8-173.3172.4176.3174.50110.6P706 A707 L711 F712 T713 M746 D759P706-K709 HydrophobicContact CG-CB 4.16Å; P706-K709 WeakPolarHBondContact O-CB 3.42Å; P706-K709 PolarHBondContact O-N 3.09Å; A707-K709 VanDerWaalsContact C-N 3.34Å; A707-K709 PolarHBondContact O-N 3.13Å; K709-L711 VanDerWaalsContact C-N 3.34Å; K709-L711 PolarHBondContact O-N 2.79Å; K709-F712 PolarHBondContact O-N 3.33Å; K709-T713 WeakPolarHBondContact O-CB 3.34Å; K709-T713 PolarHBondContact O-N 3.15Å; K709-T713 PolarHBondContact O-OG1 2.97Å; K709-M746 HydrophobicContact CB-CE 3.84Å; K709-M746 HydrophobicContact CG-CE 4.34Å; K709-D759 PolarHBondContact NZ-O 2.98Å; K709-D759 IonicContact NZ-OD2 2.91Å; K709-D759 PolarHBondContact NZ-OD2 2.92Å
710S79.4Confident70.7Confident79 Ų7967.4 Ų67.455%0.55237%0.372SS*.Hα-helixtrans-60.9-41.8175.2-1760000112.3A707 R714A707-S710 PolarHBondContact O-N 3.49Å; S710-R714 WeakPolarHBondContact O-CB 3.08Å; S710-R714 PolarHBondContact O-N 2.86Å
711L80.4Confident70.4Confident2 Ų265 Ų651%0.0135%0.354CS..Hα-helixtrans-62.7-49.8175.9-18059.9000111.9L674 E675 A707 M708 K709 T713 R714 M715 M742L674-L711 HydrophobicContact CB-CD2 3.77Å; L674-L711 HydrophobicContact CD1-CD2 3.67Å; L674-L711 HydrophobicContact CG-CD2 4.37Å; E675-L711 HydrophobicContact CG-CD1 3.5Å; E675-L711 VanDerWaalsContact CG-CD1 3.5Å; A707-L711 WeakPolarHBondContact O-CB 3.31Å; A707-L711 PolarHBondContact O-N 3.45Å; M708-L711 PolarHBondContact O-N 2.68Å; K709-L711 VanDerWaalsContact C-N 3.34Å; K709-L711 PolarHBondContact O-N 2.79Å; L711-T713 PolarHBondContact O-N 3.37Å; L711-R714 PolarHBondContact O-N 2.85Å; L711-M715 HydrophobicContact CD1-CE 3.93Å; L711-M715 HydrophobicContact CD1-CG 4.33Å; L711-M715 HydrophobicContact CD1-SD 3.86Å; L711-M715 HydrophobicContact CD2-CE 4.49Å; L711-M715 HydrophobicContact CG-CE 3.77Å; L711-M715 HydrophobicContact CG-SD 4.38Å; L711-M715 WeakPolarHBondContact O-CG 3.1Å; L711-M715 PolarHBondContact O-N 3.25Å; L711-M742 HydrophobicContact CB-CE 4.14Å; L711-M742 HydrophobicContact CD2-CE 3.9Å; L711-M742 HydrophobicContact CG-CE 3.86Å
712F83.3Confident70.1Confident0 Ų063.7 Ų63.70%035%0.347CS..Hα-helixtrans-60.4-47.6176.9-167.7-74.8000111.4M708 K709 R714 M715 F716 Q739 M742 P743 F763 L767M708-F712 WeakPolarHBondContact O-CB 3.48Å; M708-F712 PolarHBondContact O-N 3.45Å; K709-F712 PolarHBondContact O-N 3.33Å; F712-R714 VanDerWaalsContact C-N 3.31Å; F712-R714 PolarHBondContact O-N 3.37Å; F712-M715 PolarHBondContact O-N 3.04Å; F712-F716 HydrophobicContact CD1-CB 4.06Å; F712-F716 HydrophobicContact CD1-CD2 4.09Å; F712-F716 AromaticContact CD2-CD2 3.73Å; F712-F716 HydrophobicContact CD2-CD2 3.73Å; F712-F716 HydrophobicContact CD2-CE2 4.21Å; F712-F716 HydrophobicContact CE1-CB 3.78Å; F712-F716 HydrophobicContact CE1-CD2 4.15Å; F712-F716 HydrophobicContact CE1-CG 4.36Å; F712-F716 AromaticContact CE2-CD2 3.79Å; F712-F716 HydrophobicContact CE2-CD2 3.79Å; F712-F716 HydrophobicContact CE2-CE2 4.29Å; F712-F716 AromaticContact CG-CD2 3.9Å; F712-F716 HydrophobicContact CG-CD2 3.9Å; F712-F716 HydrophobicContact CZ-CB 4.18Å; F712-F716 HydrophobicContact CZ-CD2 4.01Å; F712-F716 HydrophobicContact CZ-CG 4.35Å; F712-F716 PolarHBondContact O-N 3.2Å; F712-Q739 HydrophobicContact CE2-CG 4.23Å; F712-Q739 HydrophobicContact CZ-CG 4.11Å; F712-M742 HydrophobicContact CB-CE 3.85Å; F712-M742 HydrophobicContact CD2-CB 3.85Å; F712-M742 HydrophobicContact CD2-CE 4.26Å; F712-M742 HydrophobicContact CD2-SD 4.09Å; F712-M742 HydrophobicContact CE2-CB 4.3Å; F712-P743 HydrophobicContact CE2-CG 4.05Å; F712-F763 HydrophobicContact CB-CZ 4.42Å; F712-F763 HydrophobicContact CD1-CE1 4.08Å; F712-F763 AromaticContact CD1-CZ 3.59Å; F712-F763 HydrophobicContact CD1-CZ 3.59Å; F712-F763 HydrophobicContact CE1-CZ 4.07Å; F712-F763 HydrophobicContact CG-CE1 4.24Å; F712-F763 HydrophobicContact CG-CZ 4.13Å; F712-L767 HydrophobicContact CE1-CD1 4.45Å; F712-L767 HydrophobicContact CE1-CD2 3.68Å; F712-L767 HydrophobicContact CE2-CD1 4.49Å; F712-L767 HydrophobicContact CZ-CD1 4.05Å; F712-L767 HydrophobicContact CZ-CD2 3.96Å
713T81.2Confident70.1Confident37 Ų3764.2 Ų64.223%0.22736%0.357CS..Hα-helixtrans-57.6-42.1177.7-71.80000112.2K709 L711 C717 P722K709-T713 WeakPolarHBondContact O-CB 3.34Å; K709-T713 PolarHBondContact O-N 3.15Å; K709-T713 PolarHBondContact O-OG1 2.97Å; L711-T713 PolarHBondContact O-N 3.37Å; T713-C717 HydrophobicContact CG2-CB 4.23Å; T713-C717 WeakPolarHBondContact O-CB 3.29Å; T713-C717 PolarHBondContact O-N 3.39Å; T713-P722 HydrophobicContact CG2-CB 3.81Å; T713-P722 PolarHBondContact OG1-O 3.21Å
714R81.3Confident70.8Confident134 Ų13458.6 Ų58.651%0.50633%0.332SS..Hα-helixtrans-66.9-41.1178.4175.4164.247.3130.4-0.3112.7E675 S710 L711 F712E675-R714 VanDerWaalsContact CD-NH1 3.3Å; E675-R714 IonicContact OE1-CZ 2.83Å; E675-R714 IonicContact OE1-NH1 3.77Å; E675-R714 PolarHBondContact OE1-NH1 2.77Å; E675-R714 IonicContact OE1-NH2 2.96Å; E675-R714 PolarHBondContact OE1-NH2 3.43Å; E675-R714 IonicContact OE2-CZ 3.79Å; E675-R714 IonicContact OE2-NH1 3.91Å; E675-R714 PolarHBondContact OE2-NH1 2.65Å; E675-R714 IonicContact OE2-NH2 3.27Å; E675-R714 PolarHBondContact OE2-NH2 3.17Å; S710-R714 WeakPolarHBondContact O-CB 3.08Å; S710-R714 PolarHBondContact O-N 2.86Å; L711-R714 PolarHBondContact O-N 2.85Å; F712-R714 VanDerWaalsContact C-N 3.31Å; F712-R714 PolarHBondContact O-N 3.37Å
715M78.1Confident71.5Confident48 Ų4858 Ų5824%0.23633%0.325CS..Hα-helixtrans-78.2-52.3-178-63.4-172-52.400112.1L711 F712 R726 L738 M742L711-M715 HydrophobicContact CD1-CE 3.93Å; L711-M715 HydrophobicContact CD1-CG 4.33Å; L711-M715 HydrophobicContact CD1-SD 3.86Å; L711-M715 HydrophobicContact CD2-CE 4.49Å; L711-M715 HydrophobicContact CG-CE 3.77Å; L711-M715 HydrophobicContact CG-SD 4.38Å; L711-M715 WeakPolarHBondContact O-CG 3.1Å; L711-M715 PolarHBondContact O-N 3.25Å; F712-M715 PolarHBondContact O-N 3.04Å; M715-R726 PolarHBondContact O-NH1 3.41Å; M715-R726 PolarHBondContact O-NH2 3.34Å; M715-L738 HydrophobicContact CE-CD2 3.81Å; M715-L738 HydrophobicContact CE-CG 4.43Å; M715-L738 HydrophobicContact SD-CD2 4.29Å; M715-M742 HydrophobicContact CE-CE 4.15Å; M715-M742 HydrophobicContact CE-SD 3.47Å; M715-M742 WeakPolarHBondContact CE-SD 3.45Å
716F79.1Confident72Confident24 Ų2457.6 Ų57.611%0.10531%0.308CS..Hα-helixtrans-108.1-26.5-164.6-57.6-66.4000115.6F712 R726 L738 Q739 M742F712-F716 HydrophobicContact CD1-CB 4.06Å; F712-F716 HydrophobicContact CD1-CD2 4.09Å; F712-F716 AromaticContact CD2-CD2 3.73Å; F712-F716 HydrophobicContact CD2-CD2 3.73Å; F712-F716 HydrophobicContact CD2-CE2 4.21Å; F712-F716 HydrophobicContact CE1-CB 3.78Å; F712-F716 HydrophobicContact CE1-CD2 4.15Å; F712-F716 HydrophobicContact CE1-CG 4.36Å; F712-F716 AromaticContact CE2-CD2 3.79Å; F712-F716 HydrophobicContact CE2-CD2 3.79Å; F712-F716 HydrophobicContact CE2-CE2 4.29Å; F712-F716 AromaticContact CG-CD2 3.9Å; F712-F716 HydrophobicContact CG-CD2 3.9Å; F712-F716 HydrophobicContact CZ-CB 4.18Å; F712-F716 HydrophobicContact CZ-CD2 4.01Å; F712-F716 HydrophobicContact CZ-CG 4.35Å; F712-F716 PolarHBondContact O-N 3.2Å; F716-R726 WeakPolarHBondContact O-CB 3.44Å; F716-R726 WeakPolarHBondContact O-CD 3.32Å; F716-R726 VanDerWaalsContact O-CG 3.24Å; F716-R726 WeakPolarHBondContact O-CG 3.41Å; F716-R726 PolarHBondContact O-N 2.95Å; F716-L738 HydrophobicContact CZ-CB 4.41Å; F716-L738 HydrophobicContact CZ-CD2 4.44Å; F716-L738 HydrophobicContact CZ-CG 4.31Å; F716-Q739 HydrophobicContact CD1-CB 4.26Å; F716-Q739 HydrophobicContact CD1-CG 4.24Å; F716-Q739 HydrophobicContact CD2-CG 4.48Å; F716-Q739 HydrophobicContact CE1-CB 3.81Å; F716-Q739 HydrophobicContact CE1-CG 4.3Å; F716-Q739 HydrophobicContact CE2-CB 4.14Å; F716-Q739 HydrophobicContact CG-CG 4.34Å; F716-Q739 HydrophobicContact CZ-CB 3.75Å; F716-Q739 HydrophobicContact CZ-CG 4.45Å; F716-M742 HydrophobicContact CE2-SD 3.98Å
717C75.1Confident72.4Confident1 Ų158.5 Ų58.51%0.00731%0.314CS..EExtended strand (participates in β ladder)trans-80.2163.7-178.8-65.10000113.7T713 K719 P722 R726T713-C717 HydrophobicContact CG2-CB 4.23Å; T713-C717 WeakPolarHBondContact O-CB 3.29Å; T713-C717 PolarHBondContact O-N 3.39Å; C717-K719 PolarHBondContact O-N 3.28Å; C717-P722 VanDerWaalsContact CB-O 3.26Å; C717-P722 WeakPolarHBondContact CB-O 3.22Å; C717-P722 PolarHBondContact SG-O 3Å; C717-R726 PolarHBondContact O-NE 2.92Å; C717-R726 PolarHBondContact O-NH2 2.96Å
718C68.6Low72.8Confident39 Ų3957.5 Ų57.526%0.26431%0.305SS..EExtended strand (participates in β ladder)trans-67.4129.1179-68.10000111.2S720 C721 I724C718-S720 PolarHBondContact O-N 2.79Å; C718-C721 HydrophobicContact CB-CB 4.37Å; C718-C721 CarbonylContact O-C 3.32Å; C718-C721 VanDerWaalsContact O-C 3.24Å; C718-C721 PolarHBondContact O-N 2.86Å; C718-I724 WeakPolarHBondContact CB-O 3.44Å; C718-I724 PolarHBondContact N-O 2.93Å; C718-I724 PolarHBondContact SG-O 3.41Å; C718-I724 VanDerWaalsContact SG-O 3.42Å
719K63.5Low72.9Confident201 Ų20161.8 Ų61.887%0.87433%0.328SS*.THydrogen-bonded Turntrans-57.5-25.5179.1-67.4-172.7178-177.40113.5C717C717-K719 PolarHBondContact O-N 3.28Å
720S61.2Low73Confident112 Ų11259.7 Ų59.778%0.78332%0.318SS*.THydrogen-bonded Turntrans-86.3-21.4177.3-38.80000114C718C718-S720 PolarHBondContact O-N 2.79Å
721C60Low73.1Confident55 Ų5560.2 Ų60.237%0.37231%0.314SS..EExtended strand (participates in β ladder)trans-146.293-171.1-60.30000109.8C718 N723 I724C718-C721 HydrophobicContact CB-CB 4.37Å; C718-C721 CarbonylContact O-C 3.32Å; C718-C721 VanDerWaalsContact O-C 3.24Å; C718-C721 PolarHBondContact O-N 2.86Å; C721-N723 PolarHBondContact O-N 3.14Å; C721-I724 HydrophobicContact CB-CB 4.07Å; C721-I724 HydrophobicContact CB-CD1 3.96Å; C721-I724 HydrophobicContact CB-CG1 4.09Å; C721-I724 PolarHBondContact O-N 3.41Å
722P61.3Low73.3Confident75 Ų7563.2 Ų63.249%0.48733%0.33SS..EExtended strand (participates in β ladder)trans-55.6-28.2-172.6-30.737.5000116T713 C717T713-P722 HydrophobicContact CG2-CB 3.81Å; T713-P722 PolarHBondContact OG1-O 3.21Å; C717-P722 VanDerWaalsContact CB-O 3.26Å; C717-P722 WeakPolarHBondContact CB-O 3.22Å; C717-P722 PolarHBondContact SG-O 3Å
723N60.8Low73.3Confident105 Ų10564.3 Ų64.356%0.56134%0.335SS*.EExtended strand (participates in β ladder)trans-90-7.8-176.9-59.29.3000113.3C721C721-N723 PolarHBondContact O-N 3.14Å
724I69.4Low73.4Confident76 Ų7664.3 Ų64.339%0.3933%0.332SS..EExtended strand (participates in β ladder)trans-106.3118-176.6-58.6179.3000109.3C718 C721C718-I724 WeakPolarHBondContact CB-O 3.44Å; C718-I724 PolarHBondContact N-O 2.93Å; C718-I724 PolarHBondContact SG-O 3.41Å; C718-I724 VanDerWaalsContact SG-O 3.42Å; C721-I724 HydrophobicContact CB-CB 4.07Å; C721-I724 HydrophobicContact CB-CD1 3.96Å; C721-I724 HydrophobicContact CB-CG1 4.09Å; C721-I724 PolarHBondContact O-N 3.41Å
725V69.5Low73.6Confident12 Ų1259.4 Ų59.47%0.07332%0.319CS..EExtended strand (participates in β ladder)trans-61.6146.6174.8-158.30000109.8L767V725-L767 HydrophobicContact CG2-CD2 3.41Å; V725-L767 VanDerWaalsContact CG2-CD2 3.41Å
726R70.6Confident74Confident101 Ų10157.2 Ų57.238%0.38131%0.308SS..PPolyproline II helixtrans-67.8151.1166.9-65171-154.4152.917.6109.2M715 F716 C717 N728M715-R726 PolarHBondContact O-NH1 3.41Å; M715-R726 PolarHBondContact O-NH2 3.34Å; F716-R726 WeakPolarHBondContact O-CB 3.44Å; F716-R726 WeakPolarHBondContact O-CD 3.32Å; F716-R726 VanDerWaalsContact O-CG 3.24Å; F716-R726 WeakPolarHBondContact O-CG 3.41Å; F716-R726 PolarHBondContact O-N 2.95Å; C717-R726 PolarHBondContact O-NE 2.92Å; C717-R726 PolarHBondContact O-NH2 2.96Å; R726-N728 PolarHBondContact O-N 2.66Å
727T74.1Confident74.4Confident53 Ų5357.4 Ų57.433%0.32531%0.309SS..PPolyproline II helixtrans-53.3131.9170.152.80000110.2D772 K775T727-D772 HydrophobicContact CG2-CB 4.32Å; T727-D772 WeakPolarHBondContact CG2-OD2 3.34Å; T727-K775 HydrophobicContact CG2-CD 4.15Å
728N77.6Confident75Confident6 Ų657.8 Ų57.83%0.03231%0.31CS..PPolyproline II helixtrans-56.7140.1-171.2-73.2-27.7000112.6R726 F730 Q739 N771 D772 N773 N776R726-N728 PolarHBondContact O-N 2.66Å; N728-F730 HydrophobicContact CB-CD1 4.38Å; N728-F730 HydrophobicContact CB-CE1 3.68Å; N728-F730 HydrophobicContact CB-CZ 3.82Å; N728-Q739 PolarHBondContact OD1-NE2 2.85Å; N728-N771 PolarHBondContact ND2-OD1 2.65Å; N728-D772 PolarHBondContact N-O 3.35Å; N728-N773 WeakPolarHBondContact CB-OD1 3.45Å; N728-N773 PolarHBondContact ND2-OD1 3.38Å; N728-N776 HydrophobicContact CB-CB 4.45Å
729N77.9Confident75.9Confident94 Ų9456.4 Ų56.450%0.50330%0.3SS..  trans-145.193.8176.2176.711.7000109.4I731N729-I731 VanDerWaalsContact C-N 3.27Å; N729-I731 PolarHBondContact O-N 2.94Å; N729-I731 WeakPolarHBondContact OD1-CB 3.32Å; N729-I731 WeakPolarHBondContact OD1-CD1 3.35Å; N729-I731 WeakPolarHBondContact OD1-CG1 3.43Å; N729-I731 PolarHBondContact OD1-N 3.34Å
730F80.8Confident77.1Confident0 Ų048.1 Ų48.10%026%0.264CS..THydrogen-bonded Turntrans-90.121.9-175.8-51.7-24.8000113.4I325 N728 N732 F733 Y736 N776 F778 D780 Y783I325-F730 HydrophobicContact CD1-CB 3.7Å; I325-F730 HydrophobicContact CD1-CD2 4.44Å; N728-F730 HydrophobicContact CB-CD1 4.38Å; N728-F730 HydrophobicContact CB-CE1 3.68Å; N728-F730 HydrophobicContact CB-CZ 3.82Å; F730-N732 VanDerWaalsContact C-N 3.28Å; F730-N732 PolarHBondContact O-N 3.07Å; F730-F733 VanDerWaalsContact O-CD1 3.22Å; F730-F733 WeakPolarHBondContact O-CD1 3.42Å; F730-F733 WeakPolarHBondContact O-CE1 3.46Å; F730-Y736 HydrophobicContact CB-CD2 4.03Å; F730-Y736 HydrophobicContact CB-CG 4.32Å; F730-Y736 AromaticContact CD1-CD2 3.48Å; F730-Y736 HydrophobicContact CD1-CD2 3.48Å; F730-Y736 VanDerWaalsContact CD1-CD2 3.48Å; F730-Y736 HydrophobicContact CD1-CE2 4.15Å; F730-Y736 HydrophobicContact CD1-CG 4.39Å; F730-Y736 AromaticContact CD2-CD2 3.72Å; F730-Y736 HydrophobicContact CD2-CD2 3.72Å; F730-Y736 AromaticContact CD2-CE2 3.67Å; F730-Y736 HydrophobicContact CD2-CE2 3.67Å; F730-Y736 AromaticContact CE1-CD2 3.79Å; F730-Y736 HydrophobicContact CE1-CD2 3.79Å; F730-Y736 HydrophobicContact CE1-CE2 4.14Å; F730-Y736 HydrophobicContact CE2-CD2 4.03Å; F730-Y736 AromaticContact CE2-CE2 3.69Å; F730-Y736 HydrophobicContact CE2-CE2 3.69Å; F730-Y736 AromaticContact CG-CD2 3.46Å; F730-Y736 HydrophobicContact CG-CD2 3.46Å; F730-Y736 VanDerWaalsContact CG-CD2 3.46Å; F730-Y736 AromaticContact CG-CE2 3.94Å; F730-Y736 HydrophobicContact CG-CE2 3.94Å; F730-Y736 HydrophobicContact CG-CG 4.24Å; F730-Y736 HydrophobicContact CZ-CD2 4.07Å; F730-Y736 AromaticContact CZ-CE2 3.93Å; F730-Y736 HydrophobicContact CZ-CE2 3.93Å; F730-N776 WeakPolarHBondContact CD2-ND2 3.35Å; F730-N776 VanDerWaalsContact CE2-ND2 3.28Å; F730-N776 WeakPolarHBondContact CE2-ND2 3.47Å; F730-N776 VanDerWaalsContact CG-ND2 3.34Å; F730-N776 WeakPolarHBondContact CG-ND2 3.38Å; F730-N776 PolarHBondContact N-OD1 2.93Å; F730-F778 HydrophobicContact CB-CB 4.26Å; F730-F778 HydrophobicContact CB-CD2 3.96Å; F730-F778 HydrophobicContact CB-CG 4.4Å; F730-F778 HydrophobicContact CD2-CB 4.05Å; F730-D780 HydrophobicContact CE2-CB 3.86Å; F730-D780 HydrophobicContact CZ-CB 4.11Å; F730-Y783 HydrophobicContact CZ-CD1 4.44Å
731I81.6Confident78.5Confident90 Ų9043.1 Ų43.146%0.46223%0.229SC..THydrogen-bonded Turntrans-64.9-31.2175.9-65.7171000111.8N729 F778 L1105N729-I731 VanDerWaalsContact C-N 3.27Å; N729-I731 PolarHBondContact O-N 2.94Å; N729-I731 WeakPolarHBondContact OD1-CB 3.32Å; N729-I731 WeakPolarHBondContact OD1-CD1 3.35Å; N729-I731 WeakPolarHBondContact OD1-CG1 3.43Å; N729-I731 PolarHBondContact OD1-N 3.34Å; I731-F778 HydrophobicContact CG1-CE2 4.23Å; I731-L1105 HydrophobicContact CG2-CD2 4.12Å
732N84.4Confident79.8Confident64 Ų6440.5 Ų40.534%0.34221%0.211SC..SBendtrans-97.6100.5172.2176.6-10.5000110.1F730 Q734 S735 Y736F730-N732 VanDerWaalsContact C-N 3.28Å; F730-N732 PolarHBondContact O-N 3.07Å; N732-Q734 VanDerWaalsContact C-N 3.31Å; N732-Q734 PolarHBondContact O-N 3.35Å; N732-Q734 WeakPolarHBondContact OD1-CB 3.04Å; N732-Q734 PolarHBondContact OD1-N 2.91Å; N732-S735 WeakPolarHBondContact CB-OG 3.42Å; N732-S735 PolarHBondContact O-N 3.03Å; N732-S735 VanDerWaalsContact O-N 3.11Å; N732-S735 PolarHBondContact O-OG 2.89Å; N732-S735 PolarHBondContact OD1-N 3.33Å; N732-Y736 PolarHBondContact O-N 2.82Å
733F83.4Confident81.2Confident23 Ų2337 Ų3710%0.10119%0.188CC..Hα-helixtrans-62.8-30.8-177.5-61.7-14.4000114I325 F730 S735 Y736 F737 F778 F1100I325-F733 HydrophobicContact CD1-CD1 3.93Å; I325-F733 HydrophobicContact CD1-CE1 3.65Å; I325-F733 HydrophobicContact CG1-CD1 4.46Å; I325-F733 HydrophobicContact CG1-CE1 3.87Å; I325-F733 HydrophobicContact CG1-CZ 4.26Å; I325-F733 HydrophobicContact CG2-CD1 3.93Å; I325-F733 HydrophobicContact CG2-CD2 4.13Å; I325-F733 HydrophobicContact CG2-CE1 3.86Å; I325-F733 HydrophobicContact CG2-CE2 4.04Å; I325-F733 HydrophobicContact CG2-CG 4.09Å; I325-F733 HydrophobicContact CG2-CZ 3.92Å; F730-F733 VanDerWaalsContact O-CD1 3.22Å; F730-F733 WeakPolarHBondContact O-CD1 3.42Å; F730-F733 WeakPolarHBondContact O-CE1 3.46Å; F733-S735 VanDerWaalsContact C-N 3.32Å; F733-S735 PolarHBondContact O-N 3.34Å; F733-Y736 WeakPolarHBondContact O-CB 3.24Å; F733-Y736 PolarHBondContact O-N 3.47Å; F733-F737 HydrophobicContact CB-CE2 4.26Å; F733-F737 WeakPolarHBondContact O-CD2 3.45Å; F733-F737 PolarHBondContact O-N 3.5Å; F733-F778 HydrophobicContact CE1-CE2 4.5Å; F733-F778 HydrophobicContact CE1-CZ 4.22Å; F733-F1100 AromaticContact CD2-CE1 3.76Å; F733-F1100 HydrophobicContact CD2-CE1 3.76Å; F733-F1100 AromaticContact CD2-CZ 3.81Å; F733-F1100 HydrophobicContact CD2-CZ 3.81Å; F733-F1100 HydrophobicContact CE2-CE1 4.5Å; F733-F1100 HydrophobicContact CE2-CZ 4.17Å
734Q83.4Confident82.6Confident37 Ų3732.2 Ų32.217%0.17316%0.163CC..Hα-helixtrans-63.5-42.2174.6-56.8-177.16.900111E677 N732 Y736 L738 I1101E677-Q734 PolarHBondContact O-OE1 3.45Å; E677-Q734 VanDerWaalsContact O-OE1 3.12Å; N732-Q734 VanDerWaalsContact C-N 3.31Å; N732-Q734 PolarHBondContact O-N 3.35Å; N732-Q734 WeakPolarHBondContact OD1-CB 3.04Å; N732-Q734 PolarHBondContact OD1-N 2.91Å; Q734-Y736 VanDerWaalsContact C-N 3.35Å; Q734-L738 WeakPolarHBondContact O-CB 3.41Å; Q734-L738 PolarHBondContact O-N 2.92Å; Q734-I1101 HydrophobicContact CG-CD1 4.34Å
735S84.4Confident83.5Confident32 Ų3228.6 Ų28.622%0.22415%0.145CC..Hα-helixtrans-69.5-33176.375.80000112.3N732 F733 Q739N732-S735 WeakPolarHBondContact CB-OG 3.42Å; N732-S735 PolarHBondContact O-N 3.03Å; N732-S735 VanDerWaalsContact O-N 3.11Å; N732-S735 PolarHBondContact O-OG 2.89Å; N732-S735 PolarHBondContact OD1-N 3.33Å; F733-S735 VanDerWaalsContact C-N 3.32Å; F733-S735 PolarHBondContact O-N 3.34Å; S735-Q739 VanDerWaalsContact O-CB 3.26Å; S735-Q739 WeakPolarHBondContact O-CB 3.49Å; S735-Q739 PolarHBondContact O-N 2.89Å
736Y88Confident84.2Confident2 Ų228 Ų281%0.00814%0.141CC..Hα-helixtrans-63.5-53.9174.7171.7-110.1000112I325 D326 F730 N732 F733 Q734 L738 Q739 K740 Y782I325-Y736 HydrophobicContact CD1-CD1 4.35Å; D326-Y736 PolarHBondContact OD2-OH 3.23Å; F730-Y736 HydrophobicContact CB-CD2 4.03Å; F730-Y736 HydrophobicContact CB-CG 4.32Å; F730-Y736 AromaticContact CD1-CD2 3.48Å; F730-Y736 HydrophobicContact CD1-CD2 3.48Å; F730-Y736 VanDerWaalsContact CD1-CD2 3.48Å; F730-Y736 HydrophobicContact CD1-CE2 4.15Å; F730-Y736 HydrophobicContact CD1-CG 4.39Å; F730-Y736 AromaticContact CD2-CD2 3.72Å; F730-Y736 HydrophobicContact CD2-CD2 3.72Å; F730-Y736 AromaticContact CD2-CE2 3.67Å; F730-Y736 HydrophobicContact CD2-CE2 3.67Å; F730-Y736 AromaticContact CE1-CD2 3.79Å; F730-Y736 HydrophobicContact CE1-CD2 3.79Å; F730-Y736 HydrophobicContact CE1-CE2 4.14Å; F730-Y736 HydrophobicContact CE2-CD2 4.03Å; F730-Y736 AromaticContact CE2-CE2 3.69Å; F730-Y736 HydrophobicContact CE2-CE2 3.69Å; F730-Y736 AromaticContact CG-CD2 3.46Å; F730-Y736 HydrophobicContact CG-CD2 3.46Å; F730-Y736 VanDerWaalsContact CG-CD2 3.46Å; F730-Y736 AromaticContact CG-CE2 3.94Å; F730-Y736 HydrophobicContact CG-CE2 3.94Å; F730-Y736 HydrophobicContact CG-CG 4.24Å; F730-Y736 HydrophobicContact CZ-CD2 4.07Å; F730-Y736 AromaticContact CZ-CE2 3.93Å; F730-Y736 HydrophobicContact CZ-CE2 3.93Å; N732-Y736 PolarHBondContact O-N 2.82Å; F733-Y736 WeakPolarHBondContact O-CB 3.24Å; F733-Y736 PolarHBondContact O-N 3.47Å; Q734-Y736 VanDerWaalsContact C-N 3.35Å; Y736-L738 VanDerWaalsContact C-N 3.27Å; Y736-L738 PolarHBondContact O-N 3.11Å; Y736-Q739 PolarHBondContact O-N 2.87Å; Y736-K740 HydrophobicContact CE1-CD 4.34Å; Y736-K740 VanDerWaalsContact O-CB 3.3Å; Y736-K740 WeakPolarHBondContact O-CB 3.26Å; Y736-K740 PolarHBondContact O-N 2.94Å; Y736-Y782 WeakPolarHBondContact OH-CB 3.49Å
737F87.8Confident85Confident28 Ų2823.2 Ų23.212%0.12312%0.123CC..Hα-helixtrans-61.5-36.5179-67.6-55.5000112Y681 M685 F733 K740 T741Y681-F737 HydrophobicContact CD2-CB 4.08Å; Y681-F737 AromaticContact CD2-CD2 3.51Å; Y681-F737 HydrophobicContact CD2-CD2 3.51Å; Y681-F737 HydrophobicContact CD2-CE2 4.18Å; Y681-F737 AromaticContact CD2-CG 3.96Å; Y681-F737 HydrophobicContact CD2-CG 3.96Å; Y681-F737 AromaticContact CE2-CD2 3.74Å; Y681-F737 HydrophobicContact CE2-CD2 3.74Å; Y681-F737 AromaticContact CE2-CE2 3.95Å; Y681-F737 HydrophobicContact CE2-CE2 3.95Å; Y681-F737 HydrophobicContact CE2-CG 4.29Å; Y681-F737 HydrophobicContact CG-CD2 4.09Å; M685-F737 HydrophobicContact SD-CB 4.02Å; F733-F737 HydrophobicContact CB-CE2 4.26Å; F733-F737 WeakPolarHBondContact O-CD2 3.45Å; F733-F737 PolarHBondContact O-N 3.5Å; F737-K740 PolarHBondContact O-N 2.93Å; F737-T741 PolarHBondContact O-N 3.24Å; F737-T741 PolarHBondContact O-OG1 3.29Å
738L87.9Confident85.6Confident8 Ų823.6 Ų23.64%0.04212%0.123CC..Hα-helixtrans-67.7-44.7173.9-174.260.9000112.5L674 R684 M715 F716 Q734 Y736 K740 T741 M742L674-L738 HydrophobicContact CD2-CD1 4.19Å; R684-L738 HydrophobicContact CB-CD1 4.31Å; M715-L738 HydrophobicContact CE-CD2 3.81Å; M715-L738 HydrophobicContact CE-CG 4.43Å; M715-L738 HydrophobicContact SD-CD2 4.29Å; F716-L738 HydrophobicContact CZ-CB 4.41Å; F716-L738 HydrophobicContact CZ-CD2 4.44Å; F716-L738 HydrophobicContact CZ-CG 4.31Å; Q734-L738 WeakPolarHBondContact O-CB 3.41Å; Q734-L738 PolarHBondContact O-N 2.92Å; Y736-L738 VanDerWaalsContact C-N 3.27Å; Y736-L738 PolarHBondContact O-N 3.11Å; L738-K740 PolarHBondContact O-N 2.6Å; L738-T741 PolarHBondContact O-N 2.99Å; L738-M742 HydrophobicContact CD1-CG 3.82Å; L738-M742 HydrophobicContact CD1-SD 4.06Å; L738-M742 HydrophobicContact CG-CG 4.19Å; L738-M742 HydrophobicContact CG-SD 4Å; L738-M742 WeakPolarHBondContact O-CB 3.41Å; L738-M742 VanDerWaalsContact O-CG 3.3Å; L738-M742 WeakPolarHBondContact O-CG 3.39Å; L738-M742 PolarHBondContact O-N 3.11Å
739Q87.1Confident85.9Confident11 Ų1124 Ų245%0.05112%0.124CC..Hα-helixtrans-60.6-35.8175.7-171.6-175.2-22.700111.5F712 F716 N728 S735 Y736 P743 Y783F712-Q739 HydrophobicContact CE2-CG 4.23Å; F712-Q739 HydrophobicContact CZ-CG 4.11Å; F716-Q739 HydrophobicContact CD1-CB 4.26Å; F716-Q739 HydrophobicContact CD1-CG 4.24Å; F716-Q739 HydrophobicContact CD2-CG 4.48Å; F716-Q739 HydrophobicContact CE1-CB 3.81Å; F716-Q739 HydrophobicContact CE1-CG 4.3Å; F716-Q739 HydrophobicContact CE2-CB 4.14Å; F716-Q739 HydrophobicContact CG-CG 4.34Å; F716-Q739 HydrophobicContact CZ-CB 3.75Å; F716-Q739 HydrophobicContact CZ-CG 4.45Å; N728-Q739 PolarHBondContact OD1-NE2 2.85Å; S735-Q739 VanDerWaalsContact O-CB 3.26Å; S735-Q739 WeakPolarHBondContact O-CB 3.49Å; S735-Q739 PolarHBondContact O-N 2.89Å; Y736-Q739 PolarHBondContact O-N 2.87Å; Q739-P743 WeakPolarHBondContact O-CD 3.36Å; Q739-Y783 HydrophobicContact CG-CE2 3.88Å; Q739-Y783 VanDerWaalsContact NE2-CZ 3.34Å; Q739-Y783 PolarHBondContact NE2-OH 2.81Å
740K89.1Confident86Confident26 Ų2621.9 Ų21.911%0.11311%0.11CC..Hα-helixtrans-68.8-49.3177.1-178.2-179.4-179.4-171.80112.3D326 Y736 F737 L738 P743 D786D326-K740 IonicContact OD1-NZ 3.86Å; D326-K740 PolarHBondContact OD1-NZ 2.75Å; Y736-K740 HydrophobicContact CE1-CD 4.34Å; Y736-K740 VanDerWaalsContact O-CB 3.3Å; Y736-K740 WeakPolarHBondContact O-CB 3.26Å; Y736-K740 PolarHBondContact O-N 2.94Å; F737-K740 PolarHBondContact O-N 2.93Å; L738-K740 PolarHBondContact O-N 2.6Å; K740-P743 WeakPolarHBondContact O-CD 3.47Å; K740-D786 WeakPolarHBondContact CE-OD1 3.47Å; K740-D786 WeakPolarHBondContact CE-OD2 3.39Å; K740-D786 HydrophobicContact CG-CB 3.97Å; K740-D786 VanDerWaalsContact CG-OD2 3.22Å; K740-D786 WeakPolarHBondContact CG-OD2 3.39Å; K740-D786 IonicContact NZ-OD1 2.68Å
741T89.1Confident85.7Confident7 Ų724.5 Ų24.54%0.04312%0.124CC..Hα-helixtrans-78.5-31.6-176.3-600000114.5M685 C688 F689 F737 L738 V744 A745M685-T741 HydrophobicContact CB-CG2 4.08Å; M685-T741 HydrophobicContact CG-CG2 4.33Å; C688-T741 HydrophobicContact CB-CG2 4.33Å; F689-T741 HydrophobicContact CD2-CG2 4.22Å; F689-T741 HydrophobicContact CE1-CG2 4.45Å; F689-T741 HydrophobicContact CE2-CG2 3.5Å; F689-T741 VanDerWaalsContact CE2-CG2 3.5Å; F689-T741 HydrophobicContact CZ-CG2 3.64Å; F737-T741 PolarHBondContact O-N 3.24Å; F737-T741 PolarHBondContact O-OG1 3.29Å; L738-T741 PolarHBondContact O-N 2.99Å; T741-V744 PolarHBondContact O-N 2.92Å; T741-A745 PolarHBondContact O-N 2.87Å
742M88.7Confident85.2Confident0 Ų024.7 Ų24.70%013%0.129CC..Hα-helixtrans-57.2-44.7-175.9-81.4-173.378.300114.5L711 F712 M715 F716 L738 V744 A745 M746L711-M742 HydrophobicContact CB-CE 4.14Å; L711-M742 HydrophobicContact CD2-CE 3.9Å; L711-M742 HydrophobicContact CG-CE 3.86Å; F712-M742 HydrophobicContact CB-CE 3.85Å; F712-M742 HydrophobicContact CD2-CB 3.85Å; F712-M742 HydrophobicContact CD2-CE 4.26Å; F712-M742 HydrophobicContact CD2-SD 4.09Å; F712-M742 HydrophobicContact CE2-CB 4.3Å; M715-M742 HydrophobicContact CE-CE 4.15Å; M715-M742 HydrophobicContact CE-SD 3.47Å; M715-M742 WeakPolarHBondContact CE-SD 3.45Å; F716-M742 HydrophobicContact CE2-SD 3.98Å; L738-M742 HydrophobicContact CD1-CG 3.82Å; L738-M742 HydrophobicContact CD1-SD 4.06Å; L738-M742 HydrophobicContact CG-CG 4.19Å; L738-M742 HydrophobicContact CG-SD 4Å; L738-M742 WeakPolarHBondContact O-CB 3.41Å; L738-M742 VanDerWaalsContact O-CG 3.3Å; L738-M742 WeakPolarHBondContact O-CG 3.39Å; L738-M742 PolarHBondContact O-N 3.11Å; M742-V744 PolarHBondContact O-N 3.2Å; M742-A745 PolarHBondContact O-N 3.44Å; M742-M746 WeakPolarHBondContact O-CB 3.3Å; M742-M746 VanDerWaalsContact O-CG 3.3Å; M742-M746 WeakPolarHBondContact O-CG 3.28Å; M742-M746 PolarHBondContact O-N 2.81Å
743P89.5Confident84.6Confident1 Ų127.7 Ų27.71%0.00614%0.141CC..Hα-helixtrans-60.7-41.2175.6-25.735.7000113.4F712 Q739 K740 M746 A747 L767 L787 A790F712-P743 HydrophobicContact CE2-CG 4.05Å; Q739-P743 WeakPolarHBondContact O-CD 3.36Å; K740-P743 WeakPolarHBondContact O-CD 3.47Å; P743-M746 PolarHBondContact O-N 3.43Å; P743-A747 WeakPolarHBondContact O-CB 3.24Å; P743-A747 PolarHBondContact O-N 2.79Å; P743-L767 HydrophobicContact CB-CD1 4.21Å; P743-L767 HydrophobicContact CG-CD1 3.78Å; P743-L787 HydrophobicContact CB-CD2 3.79Å; P743-L787 HydrophobicContact CG-CD2 3.93Å; P743-A790 HydrophobicContact CB-CB 4.1Å
744V89.9Confident84.2Confident6 Ų632.4 Ų32.44%0.03617%0.167CC..Hα-helixtrans-63.8-43.9178.8-170.60000110.6F689 T741 M742 A747 L748 D786 A790F689-V744 HydrophobicContact CE1-CG1 4.23Å; T741-V744 PolarHBondContact O-N 2.92Å; M742-V744 PolarHBondContact O-N 3.2Å; V744-A747 WeakPolarHBondContact O-CB 3.48Å; V744-A747 PolarHBondContact O-N 2.99Å; V744-L748 PolarHBondContact O-N 3.17Å; V744-D786 HydrophobicContact CG2-CB 3.97Å; V744-A790 HydrophobicContact CG2-CB 4.3Å
745A87.9Confident83.8Confident0 Ų035.2 Ų35.20%018%0.182CC..Hα-helixtrans-69.8-35.9176.200000112.7C688 F689 A692 M708 T741 M742 A747 L748C688-A745 HydrophobicContact CB-CB 3.74Å; F689-A745 HydrophobicContact CD1-CB 3.93Å; F689-A745 HydrophobicContact CE1-CB 4.14Å; A692-A745 VanDerWaalsContact CB-O 3.28Å; A692-A745 WeakPolarHBondContact CB-O 3.47Å; M708-A745 HydrophobicContact CE-CB 3.66Å; T741-A745 PolarHBondContact O-N 2.87Å; M742-A745 PolarHBondContact O-N 3.44Å; A745-A747 VanDerWaalsContact C-N 3.32Å; A745-A747 PolarHBondContact O-N 2.91Å; A745-L748 PolarHBondContact O-N 3.21Å
746M85.9Confident83.5Confident0 Ų034.6 Ų34.60%018%0.178CC..Hα-helixtrans-62.5-38.3171.8-78.3178.259.100112M708 K709 M742 P743 L748 L749 V760 F763M708-M746 HydrophobicContact CB-CG 3.54Å; M708-M746 HydrophobicContact CB-SD 3.95Å; M708-M746 HydrophobicContact CE-CG 4.04Å; M708-M746 HydrophobicContact CG-CG 4.44Å; M708-M746 HydrophobicContact SD-CG 4.17Å; K709-M746 HydrophobicContact CB-CE 3.84Å; K709-M746 HydrophobicContact CG-CE 4.34Å; M742-M746 WeakPolarHBondContact O-CB 3.3Å; M742-M746 VanDerWaalsContact O-CG 3.3Å; M742-M746 WeakPolarHBondContact O-CG 3.28Å; M742-M746 PolarHBondContact O-N 2.81Å; P743-M746 PolarHBondContact O-N 3.43Å; M746-L748 PolarHBondContact O-N 3.36Å; M746-L749 VanDerWaalsContact O-CB 3.26Å; M746-L749 WeakPolarHBondContact O-CB 3.49Å; M746-L749 VanDerWaalsContact O-CG 3.25Å; M746-L749 WeakPolarHBondContact O-CG 3.43Å; M746-L749 PolarHBondContact O-N 3.29Å; M746-L749 VanDerWaalsContact O-N 3.08Å; M746-V760 HydrophobicContact CB-CG1 4.06Å; M746-V760 HydrophobicContact CE-CG1 4.33Å; M746-V760 HydrophobicContact CE-CG2 4.45Å; M746-F763 HydrophobicContact CE-CD1 3.62Å; M746-F763 HydrophobicContact CE-CE1 3.85Å; M746-F763 HydrophobicContact SD-CE1 4.31Å
747A86.3Confident83Confident0 Ų035.9 Ų35.90%019%0.187CC..Hα-helixtrans-63.8-21.2177.100000113.9P743 V744 A745 L749 R750 I764 A790 N793 S794P743-A747 WeakPolarHBondContact O-CB 3.24Å; P743-A747 PolarHBondContact O-N 2.79Å; V744-A747 WeakPolarHBondContact O-CB 3.48Å; V744-A747 PolarHBondContact O-N 2.99Å; A745-A747 VanDerWaalsContact C-N 3.32Å; A745-A747 PolarHBondContact O-N 2.91Å; A747-L749 VanDerWaalsContact C-N 3.28Å; A747-R750 PolarHBondContact O-NH1 2.63Å; A747-I764 HydrophobicContact CB-CD1 3.98Å; A747-A790 HydrophobicContact CB-CB 4.08Å; A747-A790 WeakPolarHBondContact CB-O 3.45Å; A747-N793 HydrophobicContact CB-CB 3.98Å; A747-N793 CarbonylContact O-C 3.56Å; A747-S794 WeakPolarHBondContact O-CA 3.43Å
748L86.5Confident82.7Confident61 Ų6140.1 Ų40.132%0.31921%0.205SC..THydrogen-bonded Turntrans-81.6-2.7175-64.1172.4000113.5F689 A692 N696 V744 A745 M746 N793F689-L748 HydrophobicContact CD1-CD1 3.91Å; F689-L748 HydrophobicContact CE1-CD1 4.16Å; A692-L748 HydrophobicContact CB-CB 4.34Å; N696-L748 PolarHBondContact ND2-O 2.93Å; V744-L748 PolarHBondContact O-N 3.17Å; A745-L748 PolarHBondContact O-N 3.21Å; M746-L748 PolarHBondContact O-N 3.36Å; L748-N793 HydrophobicContact CD2-CB 4.15Å
749L83.6Confident82.3Confident13 Ų1344.2 Ų44.27%0.06823%0.227CC..  trans-68.4142.5176.4-65.5172.1000111.9A692 A695 N696 P706 M708 M746 A747 V760A692-L749 HydrophobicContact CB-CD2 4.21Å; A695-L749 HydrophobicContact CB-CD2 3.62Å; N696-L749 VanDerWaalsContact OD1-CA 3.28Å; N696-L749 WeakPolarHBondContact OD1-CA 3.38Å; P706-L749 HydrophobicContact CB-CD1 4.15Å; M708-L749 HydrophobicContact SD-CD1 4.12Å; M708-L749 HydrophobicContact SD-CD2 4.22Å; M708-L749 HydrophobicContact SD-CG 4.41Å; M746-L749 VanDerWaalsContact O-CB 3.26Å; M746-L749 WeakPolarHBondContact O-CB 3.49Å; M746-L749 VanDerWaalsContact O-CG 3.25Å; M746-L749 WeakPolarHBondContact O-CG 3.43Å; M746-L749 PolarHBondContact O-N 3.29Å; M746-L749 VanDerWaalsContact O-N 3.08Å; A747-L749 VanDerWaalsContact C-N 3.28Å; L749-V760 HydrophobicContact CD1-CG2 4.41Å
750R80.8Confident82.1Confident51 Ų5143.7 Ų43.719%0.19223%0.225CC..  trans-135.1137.1-178.4-58.4-65.1176.8-103.66.2111N696 A747 N754 L755 N793N696-R750 PolarHBondContact OD1-N 2.92Å; A747-R750 PolarHBondContact O-NH1 2.63Å; R750-N754 WeakPolarHBondContact CD-O 3.23Å; R750-L755 CarbonylContact C-O 3.58Å; R750-L755 WeakPolarHBondContact CA-O 3.45Å; R750-N793 PolarHBondContact NH2-O 3.44Å
751D74.8Confident81.8Confident55 Ų5543 Ų4329%0.29422%0.222SC..  trans-81.6175.1172-152.9-22.7000110.8M699 Q753 N754 L755M699-D751 VanDerWaalsContact CE-OD1 3.25Å; M699-D751 WeakPolarHBondContact CE-OD1 3.22Å; D751-Q753 PolarHBondContact O-N 2.94Å; D751-Q753 VanDerWaalsContact O-N 3.13Å; D751-N754 WeakPolarHBondContact O-CA 3.41Å; D751-N754 PolarHBondContact O-N 2.82Å; D751-L755 WeakPolarHBondContact CB-O 3.35Å; D751-L755 PolarHBondContact N-O 3.39Å
752V70.8Confident81.7Confident93 Ų9346.4 Ų46.456%0.56424%0.24SC*.THydrogen-bonded Turntrans-57-29.9-178.6-177.10000112.6M699 N754M699-V752 HydrophobicContact CG-CG2 3.84Å; V752-N754 PolarHBondContact O-N 3.47Å
753Q71.6Confident81.5Confident128 Ų12846.8 Ų46.860%0.59824%0.242SC*.THydrogen-bonded Turntrans-84.413.2175.4-60.47519.600113.2D751 L755D751-Q753 PolarHBondContact O-N 2.94Å; D751-Q753 VanDerWaalsContact O-N 3.13Å; Q753-L755 HydrophobicContact CB-CD1 4.34Å; Q753-L755 HydrophobicContact CB-CG 4.22Å; Q753-L755 PolarHBondContact O-N 3Å
754N74.6Confident81.4Confident122 Ų12246.8 Ų46.865%0.65224%0.241SC*.SBendtrans57.118.9-171.5-74.9-53.2000115R750 D751 V752 T796R750-N754 WeakPolarHBondContact CD-O 3.23Å; D751-N754 WeakPolarHBondContact O-CA 3.41Å; D751-N754 PolarHBondContact O-N 2.82Å; V752-N754 PolarHBondContact O-N 3.47Å; N754-T796 VanDerWaalsContact O-CG2 3.23Å; N754-T796 WeakPolarHBondContact O-CG2 3.2Å
755L76.3Confident81.2Confident95 Ų9546.7 Ų46.750%0.49724%0.241SC..PPolyproline II helixtrans-89.9149.7175.1-61.6179.3000110.9R750 D751 Q753R750-L755 CarbonylContact C-O 3.58Å; R750-L755 WeakPolarHBondContact CA-O 3.45Å; D751-L755 WeakPolarHBondContact CB-O 3.35Å; D751-L755 PolarHBondContact N-O 3.39Å; Q753-L755 HydrophobicContact CB-CD1 4.34Å; Q753-L755 HydrophobicContact CB-CG 4.22Å; Q753-L755 PolarHBondContact O-N 3Å
756C76.5Confident81.2Confident19 Ų1948.9 Ų48.913%0.12825%0.252CS..PPolyproline II helixtrans-71133.9168-176.10000110K758 S794C756-K758 PolarHBondContact O-N 2.74Å; C756-S794 WeakPolarHBondContact CB-O 3.44Å
757P79Confident81.1Confident29 Ų2949 Ų4919%0.18825%0.253CS..PPolyproline II helixtrans-57.6125.3175.9-25.234.5000111.5D759 V760 L761P757-D759 PolarHBondContact O-N 2.97Å; P757-V760 HydrophobicContact CB-CG2 4.27Å; P757-V760 WeakPolarHBondContact O-CB 3.37Å; P757-V760 PolarHBondContact O-N 3.44Å; P757-L761 PolarHBondContact O-N 2.82Å
758K80.2Confident81.1Confident118 Ų11849.5 Ų49.551%0.51326%0.256SS..Hα-helixtrans-54.7-29.6178.8-75.6-178.4171.5-89.40112.9C756 V760 L761 N762 D814C756-K758 PolarHBondContact O-N 2.74Å; K758-V760 PolarHBondContact O-N 2.8Å; K758-L761 PolarHBondContact O-N 3.32Å; K758-N762 WeakPolarHBondContact O-CB 3.37Å; K758-N762 PolarHBondContact O-N 2.89Å; K758-N762 PolarHBondContact O-ND2 3.35Å; K758-D814 IonicContact NZ-OD1 2.72Å; K758-D814 PolarHBondContact NZ-OD1 2.97Å; K758-D814 IonicContact NZ-OD2 3.73Å; K758-D814 PolarHBondContact NZ-OD2 2.92Å
759D81.1Confident81Confident94 Ų9451.8 Ų51.850%0.50326%0.263SS..Hα-helixtrans-62.1-21.7174.6-119.852.7000114.8K709 P757 F763K709-D759 PolarHBondContact NZ-O 2.98Å; K709-D759 IonicContact NZ-OD2 2.91Å; K709-D759 PolarHBondContact NZ-OD2 2.92Å; P757-D759 PolarHBondContact O-N 2.97Å; D759-F763 WeakPolarHBondContact O-CB 3.33Å
760V82.7Confident81Confident0 Ų057.1 Ų57.10%028%0.283CS..Hα-helixtrans-90.5-44.1173.9174.60000110.5P706 M746 L749 P757 K758 F763 I764P706-V760 HydrophobicContact CG-CG2 4.4Å; M746-V760 HydrophobicContact CB-CG1 4.06Å; M746-V760 HydrophobicContact CE-CG1 4.33Å; M746-V760 HydrophobicContact CE-CG2 4.45Å; L749-V760 HydrophobicContact CD1-CG2 4.41Å; P757-V760 HydrophobicContact CB-CG2 4.27Å; P757-V760 WeakPolarHBondContact O-CB 3.37Å; P757-V760 PolarHBondContact O-N 3.44Å; K758-V760 PolarHBondContact O-N 2.8Å; V760-F763 WeakPolarHBondContact O-CB 3.45Å; V760-F763 PolarHBondContact O-N 3.39Å; V760-I764 HydrophobicContact CG1-CD1 3.89Å; V760-I764 HydrophobicContact CG1-CG1 4.48Å; V760-I764 WeakPolarHBondContact O-CG1 3.24Å; V760-I764 PolarHBondContact O-N 2.85Å
761L83.1Confident81.1Confident10 Ų1056.4 Ų56.45%0.05228%0.283CS..Hα-helixtrans-59-50.5175.8172.258000111.7P757 K758 F763 I764 L765 L791 D814 I818P757-L761 PolarHBondContact O-N 2.82Å; K758-L761 PolarHBondContact O-N 3.32Å; L761-F763 PolarHBondContact O-N 3.29Å; L761-I764 PolarHBondContact O-N 2.97Å; L761-I764 VanDerWaalsContact O-N 3.16Å; L761-L765 HydrophobicContact CD1-CD1 3.98Å; L761-L765 HydrophobicContact CD1-CG 4.08Å; L761-L765 HydrophobicContact CG-CD1 4.05Å; L761-L765 WeakPolarHBondContact O-CG 3.33Å; L761-L765 PolarHBondContact O-N 2.9Å; L761-L791 HydrophobicContact CD1-CD2 3.84Å; L761-D814 HydrophobicContact CD2-CB 3.8Å; L761-I818 HydrophobicContact CD1-CD1 3.81Å; L761-I818 HydrophobicContact CD1-CG1 4.25Å; L761-I818 HydrophobicContact CD2-CD1 4.42Å
762N85.8Confident81.4Confident79 Ų7956.3 Ų56.342%0.42228%0.283SS..Hα-helixtrans-56.7-39.7176.2-73-21.8000111.4K758 L765 D766K758-N762 WeakPolarHBondContact O-CB 3.37Å; K758-N762 PolarHBondContact O-N 2.89Å; K758-N762 PolarHBondContact O-ND2 3.35Å; N762-L765 PolarHBondContact O-N 2.9Å; N762-D766 WeakPolarHBondContact O-CB 3.44Å; N762-D766 VanDerWaalsContact O-CG 3.27Å; N762-D766 PolarHBondContact O-N 2.85Å
763F85.4Confident81.9Confident9 Ų953.2 Ų53.24%0.03926%0.263CS..Hα-helixtrans-65.6-43.2177.5-178-108.4000112.5F712 M746 D759 V760 L761 D766 L767F712-F763 HydrophobicContact CB-CZ 4.42Å; F712-F763 HydrophobicContact CD1-CE1 4.08Å; F712-F763 AromaticContact CD1-CZ 3.59Å; F712-F763 HydrophobicContact CD1-CZ 3.59Å; F712-F763 HydrophobicContact CE1-CZ 4.07Å; F712-F763 HydrophobicContact CG-CE1 4.24Å; F712-F763 HydrophobicContact CG-CZ 4.13Å; M746-F763 HydrophobicContact CE-CD1 3.62Å; M746-F763 HydrophobicContact CE-CE1 3.85Å; M746-F763 HydrophobicContact SD-CE1 4.31Å; D759-F763 WeakPolarHBondContact O-CB 3.33Å; V760-F763 WeakPolarHBondContact O-CB 3.45Å; V760-F763 PolarHBondContact O-N 3.39Å; L761-F763 PolarHBondContact O-N 3.29Å; F763-D766 PolarHBondContact O-N 2.84Å; F763-L767 HydrophobicContact CD1-CD1 4.36Å; F763-L767 HydrophobicContact CD1-CG 4.4Å; F763-L767 HydrophobicContact CE1-CD1 4Å; F763-L767 HydrophobicContact CE1-CD2 4.17Å; F763-L767 HydrophobicContact CE1-CG 4.17Å; F763-L767 HydrophobicContact CE2-CD2 4.33Å; F763-L767 HydrophobicContact CZ-CD2 3.92Å; F763-L767 HydrophobicContact CZ-CG 4.38Å; F763-L767 WeakPolarHBondContact O-CG 3.47Å; F763-L767 PolarHBondContact O-N 2.99Å
764I87.2Confident82.4Confident0 Ų058 Ų580%028%0.276CS..Hα-helixtrans-66.5-38.2176.6-61.6163.5000110.8A747 V760 L761 D766 L767 I768 L787 A790 L791A747-I764 HydrophobicContact CB-CD1 3.98Å; V760-I764 HydrophobicContact CG1-CD1 3.89Å; V760-I764 HydrophobicContact CG1-CG1 4.48Å; V760-I764 WeakPolarHBondContact O-CG1 3.24Å; V760-I764 PolarHBondContact O-N 2.85Å; L761-I764 PolarHBondContact O-N 2.97Å; L761-I764 VanDerWaalsContact O-N 3.16Å; I764-D766 VanDerWaalsContact C-N 3.33Å; I764-D766 PolarHBondContact O-N 2.96Å; I764-L767 WeakPolarHBondContact O-CB 3.45Å; I764-L767 PolarHBondContact O-N 2.83Å; I764-I768 HydrophobicContact CG2-CD1 4.29Å; I764-I768 WeakPolarHBondContact O-CG1 3.41Å; I764-I768 PolarHBondContact O-N 3.01Å; I764-L787 HydrophobicContact CG2-CD2 4.29Å; I764-A790 HydrophobicContact CD1-CB 4.2Å; I764-A790 HydrophobicContact CG2-CB 4.22Å; I764-L791 HydrophobicContact CB-CD2 4.11Å; I764-L791 HydrophobicContact CG2-CD2 3.58Å; I764-L791 HydrophobicContact CG2-CG 3.95Å
765L86.2Confident82.7Confident5 Ų559.8 Ų59.83%0.02628%0.277CS..Hα-helixtrans-62.3-39.2172.2-70169.5000111.8L761 N762 I768 K769 L791 E821L761-L765 HydrophobicContact CD1-CD1 3.98Å; L761-L765 HydrophobicContact CD1-CG 4.08Å; L761-L765 HydrophobicContact CG-CD1 4.05Å; L761-L765 WeakPolarHBondContact O-CG 3.33Å; L761-L765 PolarHBondContact O-N 2.9Å; N762-L765 PolarHBondContact O-N 2.9Å; L765-I768 PolarHBondContact O-N 3.07Å; L765-K769 WeakPolarHBondContact O-CB 3.44Å; L765-K769 WeakPolarHBondContact O-CD 3.47Å; L765-K769 VanDerWaalsContact O-CG 3.24Å; L765-K769 WeakPolarHBondContact O-CG 3.39Å; L765-K769 PolarHBondContact O-N 3.03Å; L765-L791 HydrophobicContact CD2-CD1 4.21Å; L765-L791 HydrophobicContact CD2-CD2 3.71Å; L765-L791 HydrophobicContact CG-CD2 3.95Å; L765-E821 HydrophobicContact CD2-CG 4.24Å
766D86Confident83Confident45 Ų4556.4 Ų56.424%0.24126%0.26CS..Hα-helixtrans-67.8-39.2174.1-71.3-18.1000112N762 F763 I764 I768 K769 Y770N762-D766 WeakPolarHBondContact O-CB 3.44Å; N762-D766 VanDerWaalsContact O-CG 3.27Å; N762-D766 PolarHBondContact O-N 2.85Å; F763-D766 PolarHBondContact O-N 2.84Å; I764-D766 VanDerWaalsContact C-N 3.33Å; I764-D766 PolarHBondContact O-N 2.96Å; D766-I768 PolarHBondContact O-N 3.41Å; D766-K769 PolarHBondContact O-N 3.05Å; D766-Y770 HydrophobicContact CB-CD2 4.1Å; D766-Y770 HydrophobicContact CB-CE2 4.23Å; D766-Y770 WeakPolarHBondContact O-CB 3.04Å; D766-Y770 VanDerWaalsContact O-CD2 3.24Å; D766-Y770 WeakPolarHBondContact O-CD2 3.41Å; D766-Y770 PolarHBondContact O-N 2.82Å
767L85.3Confident83.3Confident2 Ų263.5 Ų63.51%0.0129%0.288CS..Hα-helixtrans-57.2-39.8172.2-66.3-174.5000111.5F712 V725 P743 F763 I764 N771 L787F712-L767 HydrophobicContact CE1-CD1 4.45Å; F712-L767 HydrophobicContact CE1-CD2 3.68Å; F712-L767 HydrophobicContact CE2-CD1 4.49Å; F712-L767 HydrophobicContact CZ-CD1 4.05Å; F712-L767 HydrophobicContact CZ-CD2 3.96Å; V725-L767 HydrophobicContact CG2-CD2 3.41Å; V725-L767 VanDerWaalsContact CG2-CD2 3.41Å; P743-L767 HydrophobicContact CB-CD1 4.21Å; P743-L767 HydrophobicContact CG-CD1 3.78Å; F763-L767 HydrophobicContact CD1-CD1 4.36Å; F763-L767 HydrophobicContact CD1-CG 4.4Å; F763-L767 HydrophobicContact CE1-CD1 4Å; F763-L767 HydrophobicContact CE1-CD2 4.17Å; F763-L767 HydrophobicContact CE1-CG 4.17Å; F763-L767 HydrophobicContact CE2-CD2 4.33Å; F763-L767 HydrophobicContact CZ-CD2 3.92Å; F763-L767 HydrophobicContact CZ-CG 4.38Å; F763-L767 WeakPolarHBondContact O-CG 3.47Å; F763-L767 PolarHBondContact O-N 2.99Å; I764-L767 WeakPolarHBondContact O-CB 3.45Å; I764-L767 PolarHBondContact O-N 2.83Å; L767-N771 WeakPolarHBondContact O-CB 3.46Å; L767-N771 PolarHBondContact O-N 3.09Å; L767-L787 HydrophobicContact CB-CD2 4.13Å; L767-L787 HydrophobicContact CD1-CD2 3.93Å
768I86.3Confident83.7Confident11 Ų1163.8 Ų63.86%0.05629%0.287CS..Hα-helixtrans-71.6-43.9178.8-75.2167.7000111.7I764 L765 D766 L787 L791 F825I764-I768 HydrophobicContact CG2-CD1 4.29Å; I764-I768 WeakPolarHBondContact O-CG1 3.41Å; I764-I768 PolarHBondContact O-N 3.01Å; L765-I768 PolarHBondContact O-N 3.07Å; D766-I768 PolarHBondContact O-N 3.41Å; I768-L787 HydrophobicContact CD1-CB 4.17Å; I768-L787 HydrophobicContact CG1-CB 4Å; I768-L787 HydrophobicContact CG1-CD1 4.04Å; I768-L787 HydrophobicContact CG1-CG 4.47Å; I768-L791 HydrophobicContact CD1-CD1 3.39Å; I768-L791 HydrophobicContact CD1-CD2 4.16Å; I768-L791 HydrophobicContact CD1-CG 3.63Å; I768-F825 HydrophobicContact CG2-CE2 3.87Å; I768-F825 HydrophobicContact CG2-CZ 3.9Å
769K84.1Confident84Confident109 Ų10959.4 Ų59.447%0.47427%0.271SS..Hα-helixtrans-69.9-35.8-178.6-71.5164.3-172.4170.50113.2L765 D766L765-K769 WeakPolarHBondContact O-CB 3.44Å; L765-K769 WeakPolarHBondContact O-CD 3.47Å; L765-K769 VanDerWaalsContact O-CG 3.24Å; L765-K769 WeakPolarHBondContact O-CG 3.39Å; L765-K769 PolarHBondContact O-N 3.03Å; D766-K769 PolarHBondContact O-N 3.05Å
770Y82.7Confident84.3Confident126 Ų12655.2 Ų55.249%0.49425%0.249SC..THydrogen-bonded Turntrans-99.415.3-177.9-60.1-59.4000114D766 D772D766-Y770 HydrophobicContact CB-CD2 4.1Å; D766-Y770 HydrophobicContact CB-CE2 4.23Å; D766-Y770 WeakPolarHBondContact O-CB 3.04Å; D766-Y770 VanDerWaalsContact O-CD2 3.24Å; D766-Y770 WeakPolarHBondContact O-CD2 3.41Å; D766-Y770 PolarHBondContact O-N 2.82Å; Y770-D772 PolarHBondContact O-N 3.04Å
771N83.3Confident84.6Confident35 Ų3556.7 Ų56.719%0.18726%0.257CS..  trans-70.492.5178-178.245.1000112.4N728 L767 D780N728-N771 PolarHBondContact ND2-OD1 2.65Å; L767-N771 WeakPolarHBondContact O-CB 3.46Å; L767-N771 PolarHBondContact O-N 3.09Å; N771-D780 PolarHBondContact ND2-OD2 3.1Å
772D81.4Confident84.9Confident54 Ų5457.7 Ų57.729%0.28926%0.26SS..  trans-99110.4173.2-176.919.9000112.5T727 N728 Y770 R774T727-D772 HydrophobicContact CG2-CB 4.32Å; T727-D772 WeakPolarHBondContact CG2-OD2 3.34Å; N728-D772 PolarHBondContact N-O 3.35Å; Y770-D772 PolarHBondContact O-N 3.04Å; D772-R774 WeakPolarHBondContact OD1-CB 3.39Å; D772-R774 WeakPolarHBondContact OD1-CD 3.44Å; D772-R774 WeakPolarHBondContact OD1-CG 3.43Å; D772-R774 PolarHBondContact OD1-N 3.06Å
773N81.7Confident85.1Confident27 Ų2754 Ų5414%0.14424%0.24CC..  trans-99.22.1175.4-152.849.3000113.9N728 K775 N776 F778 D780N728-N773 WeakPolarHBondContact CB-OD1 3.45Å; N728-N773 PolarHBondContact ND2-OD1 3.38Å; N773-K775 PolarHBondContact O-N 2.94Å; N773-N776 WeakPolarHBondContact O-CB 3.4Å; N773-N776 PolarHBondContact O-N 2.97Å; N773-N776 WeakPolarHBondContact OD1-CB 3.4Å; N773-N776 PolarHBondContact OD1-ND2 3.21Å; N773-F778 PolarHBondContact ND2-O 3.09Å; N773-D780 HydrophobicContact CB-CB 4.34Å; N773-D780 PolarHBondContact ND2-OD1 3.28Å
774R81.8Confident85.3Confident230 Ų23056 Ų5687%0.86825%0.247SC*.THydrogen-bonded Turntrans-60.5-20.3-171.1-70.7168.6176.7-167-0.7115.7D772D772-R774 WeakPolarHBondContact OD1-CB 3.39Å; D772-R774 WeakPolarHBondContact OD1-CD 3.44Å; D772-R774 WeakPolarHBondContact OD1-CG 3.43Å; D772-R774 PolarHBondContact OD1-N 3.06Å
775K80.4Confident85.5Confident158 Ų15856.1 Ų56.169%0.68725%0.248SC*.THydrogen-bonded Turntrans-98.7-8.1178.1-63.2-176.2-172.2167.40113.7T727 N773T727-K775 HydrophobicContact CG2-CD 4.15Å; N773-K775 PolarHBondContact O-N 2.94Å
776N82.9Confident85.6Confident24 Ų2457.4 Ų57.413%0.12826%0.255CS..  trans-85.4145.9-174.1-161.20.9000110.3N728 F730 N773 F778N728-N776 HydrophobicContact CB-CB 4.45Å; F730-N776 WeakPolarHBondContact CD2-ND2 3.35Å; F730-N776 VanDerWaalsContact CE2-ND2 3.28Å; F730-N776 WeakPolarHBondContact CE2-ND2 3.47Å; F730-N776 VanDerWaalsContact CG-ND2 3.34Å; F730-N776 WeakPolarHBondContact CG-ND2 3.38Å; F730-N776 PolarHBondContact N-OD1 2.93Å; N773-N776 WeakPolarHBondContact O-CB 3.4Å; N773-N776 PolarHBondContact O-N 2.97Å; N773-N776 WeakPolarHBondContact OD1-CB 3.4Å; N773-N776 PolarHBondContact OD1-ND2 3.21Å; N776-F778 PolarHBondContact ND2-O 2.67Å; N776-F778 PolarHBondContact OD1-N 2.76Å
777K83.1Confident85.8Confident169 Ų16955.4 Ų55.474%0.73524%0.244SC*.SBendtrans-84.5-18.1171.1-66.9-175.9179.3-179.60112.3
778F86.8Confident86.1Confident34 Ų3455.3 Ų55.315%0.14924%0.244CC..SBendtrans-103.2153-175.5-57.9-76.5000112I325 F730 I731 F733 N773 N776I325-F778 HydrophobicContact CD1-CB 4.04Å; I325-F778 HydrophobicContact CD1-CD1 3.99Å; I325-F778 HydrophobicContact CD1-CD2 4.26Å; I325-F778 HydrophobicContact CD1-CG 3.83Å; I325-F778 HydrophobicContact CG1-CB 4.4Å; I325-F778 HydrophobicContact CG1-CD1 3.71Å; I325-F778 HydrophobicContact CG1-CE1 4.15Å; I325-F778 HydrophobicContact CG1-CG 4.09Å; F730-F778 HydrophobicContact CB-CB 4.26Å; F730-F778 HydrophobicContact CB-CD2 3.96Å; F730-F778 HydrophobicContact CB-CG 4.4Å; F730-F778 HydrophobicContact CD2-CB 4.05Å; I731-F778 HydrophobicContact CG1-CE2 4.23Å; F733-F778 HydrophobicContact CE1-CE2 4.5Å; F733-F778 HydrophobicContact CE1-CZ 4.22Å; N773-F778 PolarHBondContact ND2-O 3.09Å; N776-F778 PolarHBondContact ND2-O 2.67Å; N776-F778 PolarHBondContact OD1-N 2.76Å
779S86.3Confident86.2Confident26 Ų2658.5 Ų58.518%0.18226%0.259CS..  trans-73.8144.9174.665.40000111.4M323M323-S779 WeakPolarHBondContact O-CB 3.24Å; M323-S779 PolarHBondContact O-N 2.72Å; M323-S779 PolarHBondContact O-OG 3.16Å
780D88.4Confident86.4Confident7 Ų753.3 Ų53.34%0.03724%0.236CC..  trans-104.317.5179.162.6-39.6000113.2F730 N771 N773 Y782 Y783 R784F730-D780 HydrophobicContact CE2-CB 3.86Å; F730-D780 HydrophobicContact CZ-CB 4.11Å; N771-D780 PolarHBondContact ND2-OD2 3.1Å; N773-D780 HydrophobicContact CB-CB 4.34Å; N773-D780 PolarHBondContact ND2-OD1 3.28Å; D780-Y782 PolarHBondContact O-N 2.95Å; D780-Y783 WeakPolarHBondContact O-CB 3.38Å; D780-Y783 PolarHBondContact O-N 3.23Å; D780-Y783 VanDerWaalsContact O-N 3.1Å; D780-R784 VanDerWaalsContact CG-NE 3.3Å; D780-R784 VanDerWaalsContact CG-NH2 3.27Å; D780-R784 WeakPolarHBondContact O-CG 3.45Å; D780-R784 PolarHBondContact O-N 3.06Å; D780-R784 IonicContact OD1-CZ 3.95Å; D780-R784 IonicContact OD1-NE 2.76Å; D780-R784 PolarHBondContact OD1-NE 2.92Å; D780-R784 IonicContact OD1-NH2 3.14Å; D780-R784 PolarHBondContact OD1-NH2 3.41Å; D780-R784 IonicContact OD2-CZ 2.73Å; D780-R784 IonicContact OD2-NE 3.09Å; D780-R784 PolarHBondContact OD2-NE 3.09Å; D780-R784 IonicContact OD2-NH2 3.55Å; D780-R784 PolarHBondContact OD2-NH2 2.95Å
781N89.4Confident86.6Confident31 Ų3147.3 Ų47.317%0.16621%0.212CC..Hα-helixtrans-56-52.7-177.6-62.8-26.8000112.4Y783 R784 A785N781-Y783 VanDerWaalsContact C-N 3.3Å; N781-Y783 PolarHBondContact O-N 2.98Å; N781-R784 PolarHBondContact O-N 2.81Å; N781-A785 WeakPolarHBondContact O-CB 3.32Å; N781-A785 PolarHBondContact O-N 3.47Å
782Y89.1Confident86.6Confident31 Ų3145.9 Ų45.912%0.12221%0.205CC..Hα-helixtrans-65.3-30.7176.4-72.3-69.7000112.9I324 D326 Y736 D780 A785 D786 F835 T838I324-Y782 HydrophobicContact CG2-CE2 3.87Å; D326-Y782 HydrophobicContact CB-CD2 3.88Å; D326-Y782 HydrophobicContact CB-CE2 3.81Å; D326-Y782 HydrophobicContact CB-CG 4.37Å; D326-Y782 VanDerWaalsContact OD2-CD2 3.23Å; D326-Y782 WeakPolarHBondContact OD2-CD2 3.36Å; Y736-Y782 WeakPolarHBondContact OH-CB 3.49Å; D780-Y782 PolarHBondContact O-N 2.95Å; Y782-A785 PolarHBondContact O-N 3.35Å; Y782-D786 PolarHBondContact O-N 3.22Å; Y782-D786 VanDerWaalsContact O-N 3.1Å; Y782-F835 HydrophobicContact CE2-CD1 4.34Å; Y782-F835 WeakPolarHBondContact OH-CD1 3.39Å; Y782-T838 HydrophobicContact CD1-CG2 3.77Å; Y782-T838 HydrophobicContact CE1-CG2 3.7Å
783Y90.1Very high86.7Confident2 Ų245.1 Ų45.11%0.00820%0.201CC..Hα-helixtrans-69.9-39175.5178.1-120.1000111.6F730 Q739 D780 N781 L787F730-Y783 HydrophobicContact CZ-CD1 4.44Å; Q739-Y783 HydrophobicContact CG-CE2 3.88Å; Q739-Y783 VanDerWaalsContact NE2-CZ 3.34Å; Q739-Y783 PolarHBondContact NE2-OH 2.81Å; D780-Y783 WeakPolarHBondContact O-CB 3.38Å; D780-Y783 PolarHBondContact O-N 3.23Å; D780-Y783 VanDerWaalsContact O-N 3.1Å; N781-Y783 VanDerWaalsContact C-N 3.3Å; N781-Y783 PolarHBondContact O-N 2.98Å; Y783-L787 HydrophobicContact CD1-CD1 4.03Å; Y783-L787 HydrophobicContact CD2-CD1 4.49Å; Y783-L787 HydrophobicContact CE1-CD1 3.65Å; Y783-L787 HydrophobicContact CE2-CD1 4.15Å; Y783-L787 HydrophobicContact CE2-CG 4.25Å; Y783-L787 HydrophobicContact CG-CD1 4.44Å; Y783-L787 WeakPolarHBondContact O-CB 3.22Å; Y783-L787 VanDerWaalsContact O-CG 3.28Å; Y783-L787 WeakPolarHBondContact O-CG 3.35Å; Y783-L787 PolarHBondContact O-N 3.35Å
784R89.8Confident86.7Confident51 Ų5144.1 Ų44.119%0.19220%0.196CC..Hα-helixtrans-65.7-41.3172.4-66171.5-170.2-168.410.6111.9D780 N781 L787 I788 F825 I839D780-R784 VanDerWaalsContact CG-NE 3.3Å; D780-R784 VanDerWaalsContact CG-NH2 3.27Å; D780-R784 WeakPolarHBondContact O-CG 3.45Å; D780-R784 PolarHBondContact O-N 3.06Å; D780-R784 IonicContact OD1-CZ 3.95Å; D780-R784 IonicContact OD1-NE 2.76Å; D780-R784 PolarHBondContact OD1-NE 2.92Å; D780-R784 IonicContact OD1-NH2 3.14Å; D780-R784 PolarHBondContact OD1-NH2 3.41Å; D780-R784 IonicContact OD2-CZ 2.73Å; D780-R784 IonicContact OD2-NE 3.09Å; D780-R784 PolarHBondContact OD2-NE 3.09Å; D780-R784 IonicContact OD2-NH2 3.55Å; D780-R784 PolarHBondContact OD2-NH2 2.95Å; N781-R784 PolarHBondContact O-N 2.81Å; R784-L787 PolarHBondContact O-N 3Å; R784-I788 WeakPolarHBondContact O-CD1 3.43Å; R784-I788 VanDerWaalsContact O-CG1 3.3Å; R784-I788 WeakPolarHBondContact O-CG1 3.37Å; R784-I788 PolarHBondContact O-N 2.93Å; R784-F825 HydrophobicContact CB-CE1 4.33Å; R784-F825 HydrophobicContact CG-CE1 4.32Å; R784-I839 HydrophobicContact CB-CD1 4.11Å; R784-I839 HydrophobicContact CB-CG1 4.41Å
785A89.8Confident86.4Confident2 Ų234.1 Ų34.12%0.01716%0.159CC..Hα-helixtrans-59.5-47.5178.400000112.1N781 Y782 I788 E789 T838 S842N781-A785 WeakPolarHBondContact O-CB 3.32Å; N781-A785 PolarHBondContact O-N 3.47Å; Y782-A785 PolarHBondContact O-N 3.35Å; A785-I788 PolarHBondContact O-N 3.18Å; A785-E789 PolarHBondContact O-N 3.33Å; A785-E789 VanDerWaalsContact O-N 3.12Å; A785-T838 HydrophobicContact CB-CG2 3.84Å; A785-S842 WeakPolarHBondContact CB-OG 3.3Å; A785-S842 WeakPolarHBondContact O-CB 3.48Å; A785-S842 PolarHBondContact O-OG 3.42Å
786D89.5Confident85.8Confident32 Ų3227.8 Ų27.817%0.17113%0.134CC..Hα-helixtrans-68.1-34175.1-74.553.9000112.4K740 V744 Y782 I788 E789 A790K740-D786 WeakPolarHBondContact CE-OD1 3.47Å; K740-D786 WeakPolarHBondContact CE-OD2 3.39Å; K740-D786 HydrophobicContact CG-CB 3.97Å; K740-D786 VanDerWaalsContact CG-OD2 3.22Å; K740-D786 WeakPolarHBondContact CG-OD2 3.39Å; K740-D786 IonicContact NZ-OD1 2.68Å; V744-D786 HydrophobicContact CG2-CB 3.97Å; Y782-D786 PolarHBondContact O-N 3.22Å; Y782-D786 VanDerWaalsContact O-N 3.1Å; D786-I788 VanDerWaalsContact C-N 3.34Å; D786-I788 PolarHBondContact O-N 3.2Å; D786-E789 PolarHBondContact O-N 3.02Å; D786-A790 WeakPolarHBondContact O-CB 3.48Å; D786-A790 PolarHBondContact O-N 3.12Å
787L90.4Very high85Confident3 Ų330.9 Ų30.92%0.01616%0.156CC..Hα-helixtrans-65.8-33.3173.6-77.8172.7000113P743 I764 L767 I768 Y783 R784 A790 L791P743-L787 HydrophobicContact CB-CD2 3.79Å; P743-L787 HydrophobicContact CG-CD2 3.93Å; I764-L787 HydrophobicContact CG2-CD2 4.29Å; L767-L787 HydrophobicContact CB-CD2 4.13Å; L767-L787 HydrophobicContact CD1-CD2 3.93Å; I768-L787 HydrophobicContact CD1-CB 4.17Å; I768-L787 HydrophobicContact CG1-CB 4Å; I768-L787 HydrophobicContact CG1-CD1 4.04Å; I768-L787 HydrophobicContact CG1-CG 4.47Å; Y783-L787 HydrophobicContact CD1-CD1 4.03Å; Y783-L787 HydrophobicContact CD2-CD1 4.49Å; Y783-L787 HydrophobicContact CE1-CD1 3.65Å; Y783-L787 HydrophobicContact CE2-CD1 4.15Å; Y783-L787 HydrophobicContact CE2-CG 4.25Å; Y783-L787 HydrophobicContact CG-CD1 4.44Å; Y783-L787 WeakPolarHBondContact O-CB 3.22Å; Y783-L787 VanDerWaalsContact O-CG 3.28Å; Y783-L787 WeakPolarHBondContact O-CG 3.35Å; Y783-L787 PolarHBondContact O-N 3.35Å; R784-L787 PolarHBondContact O-N 3Å; L787-A790 PolarHBondContact O-N 2.9Å; L787-L791 PolarHBondContact O-N 3.16Å
788I90.6Very high83.9Confident0 Ų024.1 Ų24.10%013%0.131CC..Hα-helixtrans-70.8-39173.8-67.9158000110.5R784 A785 D786 A790 L791 T792 I822 F825 I839 A846R784-I788 WeakPolarHBondContact O-CD1 3.43Å; R784-I788 VanDerWaalsContact O-CG1 3.3Å; R784-I788 WeakPolarHBondContact O-CG1 3.37Å; R784-I788 PolarHBondContact O-N 2.93Å; A785-I788 PolarHBondContact O-N 3.18Å; D786-I788 VanDerWaalsContact C-N 3.34Å; D786-I788 PolarHBondContact O-N 3.2Å; I788-A790 VanDerWaalsContact C-N 3.32Å; I788-L791 PolarHBondContact O-N 3.05Å; I788-T792 PolarHBondContact O-N 3.05Å; I788-T792 VanDerWaalsContact O-N 3.08Å; I788-T792 PolarHBondContact O-OG1 3.34Å; I788-I822 HydrophobicContact CG2-CG1 4.39Å; I788-F825 HydrophobicContact CD1-CB 4.02Å; I788-F825 HydrophobicContact CD1-CD1 4.14Å; I788-F825 HydrophobicContact CD1-CD2 3.68Å; I788-F825 HydrophobicContact CD1-CE2 4.13Å; I788-F825 HydrophobicContact CD1-CG 3.69Å; I788-F825 HydrophobicContact CG1-CD2 3.83Å; I788-F825 HydrophobicContact CG1-CE2 4Å; I788-F825 HydrophobicContact CG1-CG 4.36Å; I788-I839 HydrophobicContact CD1-CG2 3.7Å; I788-A846 HydrophobicContact CG2-CB 4.12Å
789E88.7Confident82.3Confident78 Ų7829.7 Ų29.736%0.36416%0.161SC..Hα-helixtrans-63.2-39.8170.8-156.9-167.3123.400111.2A785 D786 T792 N793A785-E789 PolarHBondContact O-N 3.33Å; A785-E789 VanDerWaalsContact O-N 3.12Å; D786-E789 PolarHBondContact O-N 3.02Å; E789-T792 WeakPolarHBondContact O-CB 3.34Å; E789-T792 PolarHBondContact O-N 3.34Å; E789-N793 WeakPolarHBondContact O-CB 3.31Å; E789-N793 VanDerWaalsContact O-CG 3.32Å; E789-N793 PolarHBondContact O-N 3.29Å; E789-N793 PolarHBondContact O-ND2 3.49Å; E789-N793 PolarHBondContact OE1-ND2 3.32Å; E789-N793 VanDerWaalsContact OE1-ND2 3.13Å
790A88.5Confident80.5Confident0 Ų032.2 Ų32.20%018%0.178CC..Hα-helixtrans-63-44.2174.800000112.7P743 V744 A747 I764 D786 L787 I788 T792 N793 S794P743-A790 HydrophobicContact CB-CB 4.1Å; V744-A790 HydrophobicContact CG2-CB 4.3Å; A747-A790 HydrophobicContact CB-CB 4.08Å; A747-A790 WeakPolarHBondContact CB-O 3.45Å; I764-A790 HydrophobicContact CD1-CB 4.2Å; I764-A790 HydrophobicContact CG2-CB 4.22Å; D786-A790 WeakPolarHBondContact O-CB 3.48Å; D786-A790 PolarHBondContact O-N 3.12Å; L787-A790 PolarHBondContact O-N 2.9Å; I788-A790 VanDerWaalsContact C-N 3.32Å; A790-T792 VanDerWaalsContact C-N 3.26Å; A790-T792 PolarHBondContact O-N 2.97Å; A790-N793 PolarHBondContact O-N 3.01Å; A790-S794 PolarHBondContact O-N 2.91Å
791L86.5Confident78.5Confident0 Ų039 Ų390%021%0.213CC..Hα-helixtrans-56.3-44.1171.7-76.1-175.7000111.3L761 I764 L765 I768 L787 I788 S794 I818 E821L761-L791 HydrophobicContact CD1-CD2 3.84Å; I764-L791 HydrophobicContact CB-CD2 4.11Å; I764-L791 HydrophobicContact CG2-CD2 3.58Å; I764-L791 HydrophobicContact CG2-CG 3.95Å; L765-L791 HydrophobicContact CD2-CD1 4.21Å; L765-L791 HydrophobicContact CD2-CD2 3.71Å; L765-L791 HydrophobicContact CG-CD2 3.95Å; I768-L791 HydrophobicContact CD1-CD1 3.39Å; I768-L791 HydrophobicContact CD1-CD2 4.16Å; I768-L791 HydrophobicContact CD1-CG 3.63Å; L787-L791 PolarHBondContact O-N 3.16Å; I788-L791 PolarHBondContact O-N 3.05Å; L791-S794 WeakPolarHBondContact O-CB 3.44Å; L791-S794 PolarHBondContact O-N 3.03Å; L791-S794 PolarHBondContact O-OG 3.29Å; L791-I818 HydrophobicContact CB-CG1 4.47Å; L791-I818 HydrophobicContact CB-CG2 4.29Å; L791-I818 HydrophobicContact CD1-CG1 4.46Å; L791-I818 HydrophobicContact CD2-CG1 4.32Å; L791-E821 HydrophobicContact CD1-CB 4.39Å
792T82.7Confident76.5Confident5 Ų542.2 Ų42.23%0.03123%0.231CC..Hα-helixtrans-63.8-50.4-179.9-53.70000111.9I788 E789 A790 S794 L795 A846 Q849I788-T792 PolarHBondContact O-N 3.05Å; I788-T792 VanDerWaalsContact O-N 3.08Å; I788-T792 PolarHBondContact O-OG1 3.34Å; E789-T792 WeakPolarHBondContact O-CB 3.34Å; E789-T792 PolarHBondContact O-N 3.34Å; A790-T792 VanDerWaalsContact C-N 3.26Å; A790-T792 PolarHBondContact O-N 2.97Å; T792-S794 PolarHBondContact O-N 3.04Å; T792-L795 WeakPolarHBondContact O-CB 3.25Å; T792-L795 PolarHBondContact O-N 3.45Å; T792-A846 HydrophobicContact CG2-CB 4.22Å; T792-A846 WeakPolarHBondContact OG1-CA 3.47Å; T792-A846 WeakPolarHBondContact OG1-CB 3.07Å; T792-Q849 HydrophobicContact CG2-CB 3.54Å; T792-Q849 HydrophobicContact CG2-CG 3.77Å
793N84.4Confident74.7Confident38 Ų3849 Ų4920%0.20327%0.269CS..Hα-helixtrans-66.5-19.4-178.8-71.9-20000112.5A747 L748 R750 E789 A790 L795A747-N793 HydrophobicContact CB-CB 3.98Å; A747-N793 CarbonylContact O-C 3.56Å; L748-N793 HydrophobicContact CD2-CB 4.15Å; R750-N793 PolarHBondContact NH2-O 3.44Å; E789-N793 WeakPolarHBondContact O-CB 3.31Å; E789-N793 VanDerWaalsContact O-CG 3.32Å; E789-N793 PolarHBondContact O-N 3.29Å; E789-N793 PolarHBondContact O-ND2 3.49Å; E789-N793 PolarHBondContact OE1-ND2 3.32Å; E789-N793 VanDerWaalsContact OE1-ND2 3.13Å; A790-N793 PolarHBondContact O-N 3.01Å; N793-L795 VanDerWaalsContact C-N 3.3Å
794S81.8Confident72.9Confident5 Ų555 Ų554%0.03530%0.297CS..Hα-helixtrans-72.4-22.5171.683.80000113.1A747 C756 A790 L791 T792A747-S794 WeakPolarHBondContact O-CA 3.43Å; C756-S794 WeakPolarHBondContact CB-O 3.44Å; A790-S794 PolarHBondContact O-N 2.91Å; L791-S794 WeakPolarHBondContact O-CB 3.44Å; L791-S794 PolarHBondContact O-N 3.03Å; L791-S794 PolarHBondContact O-OG 3.29Å; T792-S794 PolarHBondContact O-N 3.04Å
795L75.6Confident71.2Confident20 Ų2058.6 Ų58.611%0.10532%0.324CS..PPolyproline II helixtrans-82.5124.9178.8-70.7177.4000111.5T792 N793 V815 I818 L850 N853T792-L795 WeakPolarHBondContact O-CB 3.25Å; T792-L795 PolarHBondContact O-N 3.45Å; N793-L795 VanDerWaalsContact C-N 3.3Å; L795-V815 HydrophobicContact CD1-CG2 4.41Å; L795-V815 HydrophobicContact CD2-CG2 3.9Å; L795-I818 HydrophobicContact CD1-CD1 3.66Å; L795-I818 HydrophobicContact CD1-CG2 4.27Å; L795-I818 HydrophobicContact CD2-CD1 3.73Å; L795-I818 HydrophobicContact CG-CD1 3.65Å; L795-L850 HydrophobicContact CD1-CD2 3.33Å; L795-L850 HydrophobicContact CD1-CG 4.33Å; L795-N853 PolarHBondContact O-ND2 3.41Å
796T68.3Low69.7Low25 Ų2562.3 Ų62.315%0.15334%0.338CS..PPolyproline II helixtrans-88.8155.5175.2510000110.5N754 A798 H855N754-T796 VanDerWaalsContact O-CG2 3.23Å; N754-T796 WeakPolarHBondContact O-CG2 3.2Å; T796-A798 PolarHBondContact O-N 3.46Å; T796-H855 PolarHBondContact O-NE2 2.99Å
797P65.6Low68.4Low90 Ų9064.4 Ų64.458%0.58435%0.352SS*.PPolyproline II helixtrans-54.2132.3172.1-2534.8000110.8I799P797-I799 PolarHBondContact O-N 3.26Å
798A59.3Low66.8Low26 Ų2668.8 Ų68.822%0.21538%0.378CS..PPolyproline II helixtrans-75.5123.1175.400000109.6T796 S800 N853T796-A798 PolarHBondContact O-N 3.46Å; A798-S800 PolarHBondContact O-N 3.42Å; A798-N853 PolarHBondContact N-O 3.47Å
799I53.3Low65.1Low151 Ų15175 Ų7577%0.77441%0.412SS*.  trans-67.796.9172.7-54.2176.7000108P797 I801P797-I799 PolarHBondContact O-N 3.26Å; I799-I801 HydrophobicContact CG2-CG1 4.01Å; I799-I801 PolarHBondContact O-N 3.2Å; I799-I801 VanDerWaalsContact O-N 3.14Å
800S49.6Very low63.9Low79 Ų7976.9 Ų76.955%0.55242%0.424SS*.  trans-7989177.351.50000110A798 N802A798-S800 PolarHBondContact O-N 3.42Å; S800-N802 VanDerWaalsContact C-N 3.31Å
801I45.8Very low63Low151 Ų15178 Ų7877%0.77443%0.43SS*.  trans-71.7-29.4174.7-58.3-180000111I799I799-I801 HydrophobicContact CG2-CG1 4.01Å; I799-I801 PolarHBondContact O-N 3.2Å; I799-I801 VanDerWaalsContact O-N 3.14Å
802N46Very low62.4Low98 Ų9882 Ų8252%0.52445%0.452SS..SBendtrans-118146.9177.1-67.214.8000111.5S800 E804S800-N802 VanDerWaalsContact C-N 3.31Å; N802-E804 HydrophobicContact CB-CG 4.36Å; N802-E804 PolarHBondContact ND2-OE1 3.48Å; N802-E804 PolarHBondContact O-N 3.11Å; N802-E804 VanDerWaalsContact O-N 3.14Å
803N52.2Low62.2Low172 Ų17285.9 Ų85.992%0.9248%0.477SS*.  trans-79.126.6175.9-95.4-0.8000114.3
804E52.7Low61.9Low129 Ų12985.5 Ų85.560%0.60348%0.475SS*.  trans-80.8129.3-177.4-73.4168.9-130.700111.7N802 R806N802-E804 HydrophobicContact CB-CG 4.36Å; N802-E804 PolarHBondContact ND2-OE1 3.48Å; N802-E804 PolarHBondContact O-N 3.11Å; N802-E804 VanDerWaalsContact O-N 3.14Å; E804-R806 PolarHBondContact O-N 2.86Å; E804-R806 VanDerWaalsContact O-N 3.1Å
805V53.7Low61.8Low126 Ų12685.3 Ų85.376%0.76447%0.473SS*.  trans-65.3110.5176.6179.90000109.3T807V805-T807 PolarHBondContact O-N 3.08Å; V805-T807 VanDerWaalsContact O-N 3.15Å
806R59.3Low62.2Low80 Ų8089.8 Ų89.830%0.30249%0.489SS..  trans-71.9106.9-175.4-69.9177.6173.7151-2.1111.5E804 L811 G854E804-R806 PolarHBondContact O-N 2.86Å; E804-R806 VanDerWaalsContact O-N 3.1Å; R806-L811 HydrophobicContact CB-CD2 4.36Å; R806-G854 PolarHBondContact NH1-O 2.88Å
807T60.6Low63Low76 Ų7692.1 Ų92.147%0.46650%0.5SS..  trans-72.9158.9165.954.10000111.1V805 D809 N810V805-T807 PolarHBondContact O-N 3.08Å; V805-T807 VanDerWaalsContact O-N 3.15Å; T807-D809 PolarHBondContact O-N 2.79Å; T807-N810 PolarHBondContact O-N 3.4Å
808V57.4Low63.9Low95 Ų9587.8 Ų87.858%0.57647%0.472SS*.G310 helixtrans-58.3-32.3-176.5-1780000112.6N810 L811V808-N810 VanDerWaalsContact C-N 3.34Å; V808-L811 HydrophobicContact CG1-CD1 4.32Å; V808-L811 WeakPolarHBondContact O-CB 2.99Å; V808-L811 WeakPolarHBondContact O-CG 3.48Å; V808-L811 PolarHBondContact O-N 2.95Å
809D54.3Low65.2Low131 Ų13188.2 Ų88.270%0.70147%0.471SS*.G310 helixtrans-75.7-20.1-179.6-56.6-65.3000113.8T807T807-D809 PolarHBondContact O-N 2.79Å
810N64.1Low66.9Low117 Ų11785.5 Ų85.563%0.62645%0.454SS*.G310 helixtrans-93.29.5176.4-74.9-9.9000113T807 V808T807-N810 PolarHBondContact O-N 3.4Å; V808-N810 VanDerWaalsContact C-N 3.34Å
811L69.4Low68.8Low24 Ų2482.9 Ų82.913%0.12643%0.434CS..SBendtrans-78.6142.6178.3-61.7-179.4000112.3R806 V808 L819 H855R806-L811 HydrophobicContact CB-CD2 4.36Å; V808-L811 HydrophobicContact CG1-CD1 4.32Å; V808-L811 WeakPolarHBondContact O-CB 2.99Å; V808-L811 WeakPolarHBondContact O-CG 3.48Å; V808-L811 PolarHBondContact O-N 2.95Å; L811-L819 HydrophobicContact CD1-CD1 3.64Å; L811-H855 WeakPolarHBondContact CD2-O 3.16Å
812N74Confident70.9Confident84 Ų8475.8 Ų75.845%0.44940%0.397SS..  trans-56.6130.3170.7-179.744.3000109.7D814 V815 R816N812-D814 PolarHBondContact ND2-OD2 3.33Å; N812-D814 PolarHBondContact O-N 2.94Å; N812-V815 HydrophobicContact CB-CG2 4.22Å; N812-V815 WeakPolarHBondContact O-CA 3.38Å; N812-V815 WeakPolarHBondContact O-CB 3.09Å; N812-V815 PolarHBondContact O-N 3.36Å; N812-R816 PolarHBondContact O-N 3.3Å; N812-R816 VanDerWaalsContact O-N 3.17Å
813P79.1Confident73Confident86 Ų8674.5 Ų74.556%0.55839%0.393SS*.Hα-helixtrans-54.5-32.4-17416.3-32.6000114.5V815 R816 L817P813-V815 VanDerWaalsContact C-N 3.3Å; P813-V815 PolarHBondContact O-N 3.02Å; P813-R816 PolarHBondContact O-N 2.79Å; P813-L817 WeakPolarHBondContact O-CG 3.43Å; P813-L817 PolarHBondContact O-N 3.13Å
814D78.2Confident74.9Confident30 Ų3071.3 Ų71.316%0.1637%0.368CS..Hα-helixtrans-59.5-39.9174.8-52-52.1000112.1K758 L761 N812 I818K758-D814 IonicContact NZ-OD1 2.72Å; K758-D814 PolarHBondContact NZ-OD1 2.97Å; K758-D814 IonicContact NZ-OD2 3.73Å; K758-D814 PolarHBondContact NZ-OD2 2.92Å; L761-D814 HydrophobicContact CD2-CB 3.8Å; N812-D814 PolarHBondContact ND2-OD2 3.33Å; N812-D814 PolarHBondContact O-N 2.94Å; D814-I818 WeakPolarHBondContact O-CD1 3.38Å; D814-I818 WeakPolarHBondContact O-CG1 3.45Å; D814-I818 PolarHBondContact O-N 3.39Å
815V79.9Confident76.7Confident1 Ų165.6 Ų65.61%0.00634%0.341CS..Hα-helixtrans-73.8-39.4178.9177.50000110.7L795 N812 P813 L817 I818 L819 L850 H855L795-V815 HydrophobicContact CD1-CG2 4.41Å; L795-V815 HydrophobicContact CD2-CG2 3.9Å; N812-V815 HydrophobicContact CB-CG2 4.22Å; N812-V815 WeakPolarHBondContact O-CA 3.38Å; N812-V815 WeakPolarHBondContact O-CB 3.09Å; N812-V815 PolarHBondContact O-N 3.36Å; P813-V815 VanDerWaalsContact C-N 3.3Å; P813-V815 PolarHBondContact O-N 3.02Å; V815-L817 PolarHBondContact O-N 3.46Å; V815-I818 PolarHBondContact O-N 2.97Å; V815-L819 HydrophobicContact CG1-CD1 4.28Å; V815-L819 PolarHBondContact O-N 3.26Å; V815-L850 HydrophobicContact CG1-CD2 4.13Å; V815-H855 HydrophobicContact CG1-CB 4.04Å
816R84.3Confident78.4Confident114 Ų11460.8 Ų60.843%0.4331%0.311SS..Hα-helixtrans-59.1-45.3175.9179176.1174.8140.44.9111.6N812 P813 I818 L819 E820N812-R816 PolarHBondContact O-N 3.3Å; N812-R816 VanDerWaalsContact O-N 3.17Å; P813-R816 PolarHBondContact O-N 2.79Å; R816-I818 VanDerWaalsContact C-N 3.32Å; R816-I818 PolarHBondContact O-N 2.89Å; R816-L819 PolarHBondContact O-N 3.47Å; R816-E820 HydrophobicContact CG-CG 4.47Å; R816-E820 WeakPolarHBondContact CG-OE1 3.44Å; R816-E820 IonicContact CZ-OE1 3.59Å; R816-E820 IonicContact NE-OE1 2.82Å; R816-E820 PolarHBondContact NE-OE1 3.44Å; R816-E820 IonicContact NH2-OE1 3.45Å; R816-E820 PolarHBondContact NH2-OE1 2.65Å; R816-E820 WeakPolarHBondContact O-CG 3.4Å; R816-E820 PolarHBondContact O-N 3.39Å
817L84.6Confident80Confident74 Ų7461.6 Ų61.639%0.38732%0.321SS..Hα-helixtrans-61.3-39.5176.1-71.3170.9000112.3P813 V815 E820 E821P813-L817 WeakPolarHBondContact O-CG 3.43Å; P813-L817 PolarHBondContact O-N 3.13Å; V815-L817 PolarHBondContact O-N 3.46Å; L817-E820 PolarHBondContact O-N 3.2Å; L817-E821 WeakPolarHBondContact O-CG 3.41Å; L817-E821 PolarHBondContact O-N 3.43Å
818I85.3Confident81.3Confident0 Ų060.1 Ų60.10%031%0.31CS..Hα-helixtrans-66.4-40176.4-68.4164.4000111.1L761 L791 L795 D814 V815 R816 E821 I822L761-I818 HydrophobicContact CD1-CD1 3.81Å; L761-I818 HydrophobicContact CD1-CG1 4.25Å; L761-I818 HydrophobicContact CD2-CD1 4.42Å; L791-I818 HydrophobicContact CB-CG1 4.47Å; L791-I818 HydrophobicContact CB-CG2 4.29Å; L791-I818 HydrophobicContact CD1-CG1 4.46Å; L791-I818 HydrophobicContact CD2-CG1 4.32Å; L795-I818 HydrophobicContact CD1-CD1 3.66Å; L795-I818 HydrophobicContact CD1-CG2 4.27Å; L795-I818 HydrophobicContact CD2-CD1 3.73Å; L795-I818 HydrophobicContact CG-CD1 3.65Å; D814-I818 WeakPolarHBondContact O-CD1 3.38Å; D814-I818 WeakPolarHBondContact O-CG1 3.45Å; D814-I818 PolarHBondContact O-N 3.39Å; V815-I818 PolarHBondContact O-N 2.97Å; R816-I818 VanDerWaalsContact C-N 3.32Å; R816-I818 PolarHBondContact O-N 2.89Å; I818-E821 PolarHBondContact O-N 3.1Å; I818-I822 HydrophobicContact CG2-CD1 3.7Å; I818-I822 HydrophobicContact CG2-CG1 4.4Å; I818-I822 WeakPolarHBondContact O-CB 3.49Å; I818-I822 VanDerWaalsContact O-CG1 3.26Å; I818-I822 WeakPolarHBondContact O-CG1 3.46Å; I818-I822 PolarHBondContact O-N 3.06Å
819L86.6Confident82.7Confident35 Ų3555.8 Ų55.818%0.18328%0.283CS..Hα-helixtrans-65.3-41.4174.2-80.9170.6000112.8L811 V815 R816 I822 T823 L850 I856L811-L819 HydrophobicContact CD1-CD1 3.64Å; V815-L819 HydrophobicContact CG1-CD1 4.28Å; V815-L819 PolarHBondContact O-N 3.26Å; R816-L819 PolarHBondContact O-N 3.47Å; L819-I822 PolarHBondContact O-N 3.4Å; L819-T823 VanDerWaalsContact O-CB 3.24Å; L819-T823 WeakPolarHBondContact O-CB 3.16Å; L819-T823 PolarHBondContact O-N 3.26Å; L819-T823 PolarHBondContact O-OG1 3.48Å; L819-L850 HydrophobicContact CD2-CD1 4.05Å; L819-I856 HydrophobicContact CD2-CD1 3.86Å
820E88.8Confident84.3Confident93 Ų9358.1 Ų58.144%0.43529%0.287SS..Hα-helixtrans-62.3-41.7175.3-73.3171.8-174.700110.8R816 L817 R824R816-E820 HydrophobicContact CG-CG 4.47Å; R816-E820 WeakPolarHBondContact CG-OE1 3.44Å; R816-E820 IonicContact CZ-OE1 3.59Å; R816-E820 IonicContact NE-OE1 2.82Å; R816-E820 PolarHBondContact NE-OE1 3.44Å; R816-E820 IonicContact NH2-OE1 3.45Å; R816-E820 PolarHBondContact NH2-OE1 2.65Å; R816-E820 WeakPolarHBondContact O-CG 3.4Å; R816-E820 PolarHBondContact O-N 3.39Å; L817-E820 PolarHBondContact O-N 3.2Å; E820-R824 VanDerWaalsContact O-CB 3.32Å; E820-R824 WeakPolarHBondContact O-CB 3.48Å; E820-R824 PolarHBondContact O-N 3.01Å
821E88.6Confident85.5Confident25 Ų2559.4 Ų59.412%0.11729%0.293CS..Hα-helixtrans-67.3-46.3174.1-71.4-70.5178.700113.2L765 L791 L817 I818 T823 R824 F825L765-E821 HydrophobicContact CD2-CG 4.24Å; L791-E821 HydrophobicContact CD1-CB 4.39Å; L817-E821 WeakPolarHBondContact O-CG 3.41Å; L817-E821 PolarHBondContact O-N 3.43Å; I818-E821 PolarHBondContact O-N 3.1Å; E821-T823 VanDerWaalsContact C-N 3.31Å; E821-T823 PolarHBondContact O-N 3.42Å; E821-R824 WeakPolarHBondContact O-CB 3.47Å; E821-R824 PolarHBondContact O-N 2.9Å; E821-R824 IonicContact OE2-CZ 3.74Å; E821-R824 IonicContact OE2-NE 3.99Å; E821-R824 PolarHBondContact OE2-NE 3.18Å; E821-R824 IonicContact OE2-NH2 2.56Å; E821-R824 PolarHBondContact OE2-NH2 3.39Å; E821-F825 WeakPolarHBondContact O-CD2 3.33Å; E821-F825 PolarHBondContact O-N 2.96Å
822I90.1Very high86.2Confident1 Ų164.6 Ų64.61%0.00532%0.32CS..Hα-helixtrans-59.1-44.1175.9-71.8165.1000110.7I788 I818 L819 R824 F825 L826 C843 A846 I847 L850I788-I822 HydrophobicContact CG2-CG1 4.39Å; I818-I822 HydrophobicContact CG2-CD1 3.7Å; I818-I822 HydrophobicContact CG2-CG1 4.4Å; I818-I822 WeakPolarHBondContact O-CB 3.49Å; I818-I822 VanDerWaalsContact O-CG1 3.26Å; I818-I822 WeakPolarHBondContact O-CG1 3.46Å; I818-I822 PolarHBondContact O-N 3.06Å; L819-I822 PolarHBondContact O-N 3.4Å; I822-R824 VanDerWaalsContact C-N 3.34Å; I822-R824 PolarHBondContact O-N 2.88Å; I822-F825 PolarHBondContact O-N 3.47Å; I822-L826 HydrophobicContact CG2-CD1 4.2Å; I822-L826 PolarHBondContact O-N 3.41Å; I822-C843 HydrophobicContact CG2-CB 4.03Å; I822-A846 HydrophobicContact CD1-CB 3.76Å; I822-A846 HydrophobicContact CG1-CB 4.42Å; I822-I847 HydrophobicContact CG2-CD1 4.14Å; I822-I847 HydrophobicContact CG2-CG1 4.14Å; I822-L850 HydrophobicContact CD1-CD1 3.78Å
823T90.8Very high86.7Confident71 Ų7165.3 Ų65.344%0.43633%0.33SS..Hα-helixtrans-65-38.5177.4-56.10000111.3L819 E821 N827L819-T823 VanDerWaalsContact O-CB 3.24Å; L819-T823 WeakPolarHBondContact O-CB 3.16Å; L819-T823 PolarHBondContact O-N 3.26Å; L819-T823 PolarHBondContact O-OG1 3.48Å; E821-T823 VanDerWaalsContact C-N 3.31Å; E821-T823 PolarHBondContact O-N 3.42Å; T823-N827 WeakPolarHBondContact O-CB 3.25Å; T823-N827 PolarHBondContact O-N 3.31Å; T823-N827 PolarHBondContact O-ND2 3Å; T823-N827 VanDerWaalsContact O-ND2 3.15Å
824R91.2Very high87Confident106 Ų10661.9 Ų61.940%0.431%0.307SS..Hα-helixtrans-61.8-41.9172.8-173.6-17869.682.3-3.6111.8E820 E821 I822 M828E820-R824 VanDerWaalsContact O-CB 3.32Å; E820-R824 WeakPolarHBondContact O-CB 3.48Å; E820-R824 PolarHBondContact O-N 3.01Å; E821-R824 WeakPolarHBondContact O-CB 3.47Å; E821-R824 PolarHBondContact O-N 2.9Å; E821-R824 IonicContact OE2-CZ 3.74Å; E821-R824 IonicContact OE2-NE 3.99Å; E821-R824 PolarHBondContact OE2-NE 3.18Å; E821-R824 IonicContact OE2-NH2 2.56Å; E821-R824 PolarHBondContact OE2-NH2 3.39Å; I822-R824 VanDerWaalsContact C-N 3.34Å; I822-R824 PolarHBondContact O-N 2.88Å; R824-M828 VanDerWaalsContact O-CB 3.22Å; R824-M828 WeakPolarHBondContact O-CB 3.3Å; R824-M828 PolarHBondContact O-N 2.92Å
825F89.9Confident87.3Confident9 Ų962.1 Ų62.14%0.03931%0.307CS..Hα-helixtrans-67.6-45178-81.5-65000112.9I768 R784 I788 E821 I822 M828 E829 I839I768-F825 HydrophobicContact CG2-CE2 3.87Å; I768-F825 HydrophobicContact CG2-CZ 3.9Å; R784-F825 HydrophobicContact CB-CE1 4.33Å; R784-F825 HydrophobicContact CG-CE1 4.32Å; I788-F825 HydrophobicContact CD1-CB 4.02Å; I788-F825 HydrophobicContact CD1-CD1 4.14Å; I788-F825 HydrophobicContact CD1-CD2 3.68Å; I788-F825 HydrophobicContact CD1-CE2 4.13Å; I788-F825 HydrophobicContact CD1-CG 3.69Å; I788-F825 HydrophobicContact CG1-CD2 3.83Å; I788-F825 HydrophobicContact CG1-CE2 4Å; I788-F825 HydrophobicContact CG1-CG 4.36Å; E821-F825 WeakPolarHBondContact O-CD2 3.33Å; E821-F825 PolarHBondContact O-N 2.96Å; I822-F825 PolarHBondContact O-N 3.47Å; F825-M828 HydrophobicContact CD1-CE 3.77Å; F825-M828 HydrophobicContact CE1-CE 4.23Å; F825-M828 PolarHBondContact O-N 3.33Å; F825-E829 PolarHBondContact O-N 2.91Å; F825-I839 HydrophobicContact CB-CG2 3.86Å; F825-I839 HydrophobicContact CD1-CG2 4.19Å; F825-I839 HydrophobicContact CG-CG2 4.31Å
826L90.1Very high87.5Confident25 Ų2563.9 Ų63.913%0.13131%0.314CS..Hα-helixtrans-59.2-46.5174-74.3169.8000112.1I822 M828 E829 K830 T840 C843 I847I822-L826 HydrophobicContact CG2-CD1 4.2Å; I822-L826 PolarHBondContact O-N 3.41Å; L826-M828 PolarHBondContact O-N 3.47Å; L826-E829 PolarHBondContact O-N 2.95Å; L826-K830 WeakPolarHBondContact O-CB 3.48Å; L826-K830 PolarHBondContact O-N 3Å; L826-T840 HydrophobicContact CD2-CG2 4.02Å; L826-C843 HydrophobicContact CD1-CB 4.13Å; L826-C843 HydrophobicContact CD2-CB 3.58Å; L826-C843 HydrophobicContact CG-CB 3.71Å; L826-I847 HydrophobicContact CD1-CD1 4.06Å
827N91.9Very high87.7Confident96 Ų9660.5 Ų60.551%0.51330%0.304SS..Hα-helixtrans-66.3-36.7177.5-75.3-34.2000112.6T823 L831T823-N827 WeakPolarHBondContact O-CB 3.25Å; T823-N827 PolarHBondContact O-N 3.31Å; T823-N827 PolarHBondContact O-ND2 3Å; T823-N827 VanDerWaalsContact O-ND2 3.15Å; N827-L831 WeakPolarHBondContact O-CG 3.43Å; N827-L831 PolarHBondContact O-N 3.4Å
828M88.4Confident87.9Confident46 Ų4658 Ų5823%0.22729%0.292CS..Hα-helixtrans-64.6-43.6175.1-179.2-166.374.400111.3R824 F825 L826 L831 L832 I839R824-M828 VanDerWaalsContact O-CB 3.22Å; R824-M828 WeakPolarHBondContact O-CB 3.3Å; R824-M828 PolarHBondContact O-N 2.92Å; F825-M828 HydrophobicContact CD1-CE 3.77Å; F825-M828 HydrophobicContact CE1-CE 4.23Å; F825-M828 PolarHBondContact O-N 3.33Å; L826-M828 PolarHBondContact O-N 3.47Å; M828-L831 PolarHBondContact O-N 2.87Å; M828-L832 PolarHBondContact O-N 2.63Å; M828-I839 HydrophobicContact CE-CD1 4.05Å
829E87.7Confident88.2Confident4 Ų458 Ų582%0.01929%0.292CS..Hα-helixtrans-71.9-32-179.4-168.5169.4-127.600112.7F825 L826 L831 L832 P833 S834 N837 I839 T840F825-E829 PolarHBondContact O-N 2.91Å; L826-E829 PolarHBondContact O-N 2.95Å; E829-L831 PolarHBondContact O-N 3.27Å; E829-L832 CarbonylContact O-C 3.55Å; E829-L832 PolarHBondContact O-N 3.03Å; E829-P833 WeakPolarHBondContact O-CA 3.46Å; E829-P833 VanDerWaalsContact O-N 3.08Å; E829-S834 WeakPolarHBondContact OE1-CB 3.17Å; E829-S834 PolarHBondContact OE1-N 3.46Å; E829-S834 PolarHBondContact OE1-OG 3.29Å; E829-N837 VanDerWaalsContact OE1-CA 3.23Å; E829-N837 WeakPolarHBondContact OE1-CA 3.46Å; E829-I839 WeakPolarHBondContact OE1-CB 3.38Å; E829-I839 PolarHBondContact OE1-N 2.81Å; E829-T840 WeakPolarHBondContact OE2-CA 3.49Å; E829-T840 WeakPolarHBondContact OE2-CB 3.15Å; E829-T840 PolarHBondContact OE2-N 3.47Å; E829-T840 PolarHBondContact OE2-OG1 3.12Å
830K86.9Confident88.5Confident180 Ų18057 Ų5778%0.78329%0.288SS*.Hα-helixtrans-62.3-19.7170.4-169.6167.6-176.9171.80113.5L826L826-K830 WeakPolarHBondContact O-CB 3.48Å; L826-K830 PolarHBondContact O-N 3Å
831L88.6Confident88.6Confident144 Ų14453.4 Ų53.475%0.75427%0.271SS*.Hα-helixtrans-99.2-31.6173.6-64172.5000112.9N827 M828 E829N827-L831 WeakPolarHBondContact O-CG 3.43Å; N827-L831 PolarHBondContact O-N 3.4Å; M828-L831 PolarHBondContact O-N 2.87Å; E829-L831 PolarHBondContact O-N 3.27Å
832L85.8Confident88.7Confident132 Ų13252.8 Ų52.869%0.69127%0.27SS*.SBendtrans-137.583.3-178.1-66.4174.4000109.5M828 E829 S834M828-L832 PolarHBondContact O-N 2.63Å; E829-L832 CarbonylContact O-C 3.55Å; E829-L832 PolarHBondContact O-N 3.03Å; L832-S834 PolarHBondContact O-N 3.14Å
833P83.6Confident88.8Confident100 Ų10052.8 Ų52.865%0.64927%0.27SS*.PPolyproline II helixtrans-55.7129.1-177.7-2937.1000112.4E829E829-P833 WeakPolarHBondContact O-CA 3.46Å; E829-P833 VanDerWaalsContact O-N 3.08Å
834S84.9Confident88.9Confident13 Ų1349.4 Ų49.49%0.09125%0.249CC..PPolyproline II helixtrans-82.4170.5172.487.60000110.8E829 L832 R836 N837 T838E829-S834 WeakPolarHBondContact OE1-CB 3.17Å; E829-S834 PolarHBondContact OE1-N 3.46Å; E829-S834 PolarHBondContact OE1-OG 3.29Å; L832-S834 PolarHBondContact O-N 3.14Å; S834-R836 PolarHBondContact O-N 3.17Å; S834-R836 VanDerWaalsContact O-N 3.14Å; S834-N837 PolarHBondContact O-N 2.9Å; S834-T838 PolarHBondContact OG-N 2.85Å
835F84.3Confident88.9Confident35 Ų3549.9 Ų49.915%0.15425%0.251CS..G310 helixtrans-56.2123.9174.6-178.5-117.5000110.4L319 H320 I324 Q327 Y782 N837 T838L319-F835 WeakPolarHBondContact O-CE2 3.37Å; H320-F835 HydrophobicContact CB-CE2 4.34Å; H320-F835 HydrophobicContact CB-CZ 4.24Å; I324-F835 HydrophobicContact CD1-CB 3.79Å; I324-F835 HydrophobicContact CD1-CD1 4.16Å; I324-F835 HydrophobicContact CD1-CD2 3.64Å; I324-F835 HydrophobicContact CD1-CE2 4.23Å; I324-F835 HydrophobicContact CD1-CG 3.6Å; I324-F835 HydrophobicContact CG2-CD1 4.01Å; I324-F835 HydrophobicContact CG2-CE1 4.29Å; I324-F835 HydrophobicContact CG2-CG 4.48Å; Q327-F835 HydrophobicContact CB-CE1 4.09Å; Q327-F835 HydrophobicContact CB-CZ 4.48Å; Q327-F835 HydrophobicContact CG-CE1 4.03Å; Q327-F835 HydrophobicContact CG-CZ 4Å; Y782-F835 HydrophobicContact CE2-CD1 4.34Å; Y782-F835 WeakPolarHBondContact OH-CD1 3.39Å; F835-N837 PolarHBondContact O-N 3.39Å; F835-N837 VanDerWaalsContact O-N 3.07Å; F835-T838 WeakPolarHBondContact O-CB 3.43Å; F835-T838 PolarHBondContact O-N 2.92Å; F835-T838 VanDerWaalsContact O-N 3.1Å; F835-T838 PolarHBondContact O-OG1 3Å
836R84.8Confident88.9Confident39 Ų3949.5 Ų49.515%0.14725%0.25CC..G310 helixtrans54.717.3-175.2-61.9-159.9-161.81476.9116N317 S834 T838 F872 D874N317-R836 PolarHBondContact O-NE 3.2Å; N317-R836 VanDerWaalsContact O-NE 3.09Å; N317-R836 PolarHBondContact O-NH2 2.94Å; S834-R836 PolarHBondContact O-N 3.17Å; S834-R836 VanDerWaalsContact O-N 3.14Å; R836-T838 PolarHBondContact O-N 3.29Å; R836-F872 HydrophobicContact CB-CD1 4.18Å; R836-F872 HydrophobicContact CB-CE1 3.47Å; R836-F872 VanDerWaalsContact CB-CE1 3.47Å; R836-F872 HydrophobicContact CB-CZ 3.93Å; R836-F872 HydrophobicContact CG-CE1 3.73Å; R836-F872 HydrophobicContact CG-CZ 3.67Å; R836-F872 VanDerWaalsContact O-CD1 3.28Å; R836-F872 WeakPolarHBondContact O-CD1 3.49Å; R836-D874 WeakPolarHBondContact CD-OD2 3.17Å; R836-D874 IonicContact NH1-OD2 3.39Å
837N88.8Confident88.9Confident43 Ų4349.1 Ų49.123%0.2325%0.248CC..G310 helixtrans51.441.4-168.9-59.8-31.5000112.9E829 S834 F835 I839 T840 V841 V875E829-N837 VanDerWaalsContact OE1-CA 3.23Å; E829-N837 WeakPolarHBondContact OE1-CA 3.46Å; S834-N837 PolarHBondContact O-N 2.9Å; F835-N837 PolarHBondContact O-N 3.39Å; F835-N837 VanDerWaalsContact O-N 3.07Å; N837-I839 PolarHBondContact O-N 2.89Å; N837-I839 VanDerWaalsContact O-N 3.16Å; N837-T840 WeakPolarHBondContact O-CB 3.36Å; N837-T840 PolarHBondContact O-N 2.99Å; N837-T840 VanDerWaalsContact O-N 3.11Å; N837-V841 PolarHBondContact O-N 3.09Å; N837-V875 HydrophobicContact CB-CG2 3.61Å
838T88.5Confident88.8Confident20 Ų2044.9 Ų44.912%0.12322%0.224CC..Hα-helixtrans-58.3-30.2-175.3-590000112.4Y782 A785 S834 F835 R836 V841 S842Y782-T838 HydrophobicContact CD1-CG2 3.77Å; Y782-T838 HydrophobicContact CE1-CG2 3.7Å; A785-T838 HydrophobicContact CB-CG2 3.84Å; S834-T838 PolarHBondContact OG-N 2.85Å; F835-T838 WeakPolarHBondContact O-CB 3.43Å; F835-T838 PolarHBondContact O-N 2.92Å; F835-T838 VanDerWaalsContact O-N 3.1Å; F835-T838 PolarHBondContact O-OG1 3Å; R836-T838 PolarHBondContact O-N 3.29Å; T838-V841 PolarHBondContact O-N 3.18Å; T838-S842 PolarHBondContact O-N 2.98Å
839I91.4Very high88.6Confident2 Ų245.5 Ų45.51%0.0123%0.227CC..Hα-helixtrans-69-43.2178.8-64.6175.4000110.2R784 I788 F825 M828 E829 N837 V841 S842 C843R784-I839 HydrophobicContact CB-CD1 4.11Å; R784-I839 HydrophobicContact CB-CG1 4.41Å; I788-I839 HydrophobicContact CD1-CG2 3.7Å; F825-I839 HydrophobicContact CB-CG2 3.86Å; F825-I839 HydrophobicContact CD1-CG2 4.19Å; F825-I839 HydrophobicContact CG-CG2 4.31Å; M828-I839 HydrophobicContact CE-CD1 4.05Å; E829-I839 WeakPolarHBondContact OE1-CB 3.38Å; E829-I839 PolarHBondContact OE1-N 2.81Å; N837-I839 PolarHBondContact O-N 2.89Å; N837-I839 VanDerWaalsContact O-N 3.16Å; I839-V841 VanDerWaalsContact C-N 3.32Å; I839-V841 PolarHBondContact O-N 2.95Å; I839-S842 PolarHBondContact O-N 3.36Å; I839-C843 PolarHBondContact O-N 3.38Å; I839-C843 PolarHBondContact O-SG 3.19Å
840T92.4Very high88.5Confident14 Ų1445.4 Ų45.49%0.08623%0.226CC..Hα-helixtrans-59.6-40.8174-70.20000111.4L826 E829 N837 S842 C843 L844 V875L826-T840 HydrophobicContact CD2-CG2 4.02Å; E829-T840 WeakPolarHBondContact OE2-CA 3.49Å; E829-T840 WeakPolarHBondContact OE2-CB 3.15Å; E829-T840 PolarHBondContact OE2-N 3.47Å; E829-T840 PolarHBondContact OE2-OG1 3.12Å; N837-T840 WeakPolarHBondContact O-CB 3.36Å; N837-T840 PolarHBondContact O-N 2.99Å; N837-T840 VanDerWaalsContact O-N 3.11Å; T840-S842 PolarHBondContact O-N 2.86Å; T840-C843 CarbonylContact O-C 3.24Å; T840-C843 PolarHBondContact O-N 3.47Å; T840-C843 VanDerWaalsContact O-N 3.15Å; T840-L844 HydrophobicContact CG2-CD1 3.92Å; T840-L844 HydrophobicContact CG2-CG 4.09Å; T840-L844 WeakPolarHBondContact O-CG 3.24Å; T840-L844 PolarHBondContact O-N 2.74Å; T840-V875 HydrophobicContact CG2-CG1 3.79Å; T840-V875 HydrophobicContact CG2-CG2 4.04Å
841V91.9Very high88.4Confident16 Ų1637.6 Ų37.610%0.09719%0.193CC..Hα-helixtrans-57.3-48.8174.5170.90000111N837 T838 I839 C843 L844 R845 D874 V875 S878N837-V841 PolarHBondContact O-N 3.09Å; T838-V841 PolarHBondContact O-N 3.18Å; I839-V841 VanDerWaalsContact C-N 3.32Å; I839-V841 PolarHBondContact O-N 2.95Å; V841-C843 PolarHBondContact O-N 2.93Å; V841-L844 PolarHBondContact O-N 2.91Å; V841-R845 WeakPolarHBondContact O-CG 3.23Å; V841-R845 PolarHBondContact O-N 3.35Å; V841-R845 VanDerWaalsContact O-N 3.11Å; V841-D874 HydrophobicContact CG2-CB 4.23Å; V841-V875 HydrophobicContact CG2-CG2 4.18Å; V841-S878 PolarHBondContact O-OG 2.75Å
842S90.8Very high88.1Confident13 Ų1334.6 Ų34.69%0.09117%0.174CC..Hα-helixtrans-63.7-38.5173.8-73.60000112.9A785 T838 I839 T840 A846A785-S842 WeakPolarHBondContact CB-OG 3.3Å; A785-S842 WeakPolarHBondContact O-CB 3.48Å; A785-S842 PolarHBondContact O-OG 3.42Å; T838-S842 PolarHBondContact O-N 2.98Å; I839-S842 PolarHBondContact O-N 3.36Å; T840-S842 PolarHBondContact O-N 2.86Å; S842-A846 VanDerWaalsContact O-CB 3.24Å; S842-A846 WeakPolarHBondContact O-CB 3.3Å; S842-A846 PolarHBondContact O-N 3.46Å
843C92.8Very high87.8Confident0 Ų028.9 Ų28.90%014%0.144CC..Hα-helixtrans-66.5-37.4177-71.30000113.2I822 L826 I839 T840 V841 A846 I847I822-C843 HydrophobicContact CG2-CB 4.03Å; L826-C843 HydrophobicContact CD1-CB 4.13Å; L826-C843 HydrophobicContact CD2-CB 3.58Å; L826-C843 HydrophobicContact CG-CB 3.71Å; I839-C843 PolarHBondContact O-N 3.38Å; I839-C843 PolarHBondContact O-SG 3.19Å; T840-C843 CarbonylContact O-C 3.24Å; T840-C843 PolarHBondContact O-N 3.47Å; T840-C843 VanDerWaalsContact O-N 3.15Å; V841-C843 PolarHBondContact O-N 2.93Å; C843-A846 WeakPolarHBondContact O-CB 3.39Å; C843-A846 PolarHBondContact O-N 3.17Å; C843-I847 VanDerWaalsContact O-CG1 3.26Å; C843-I847 WeakPolarHBondContact O-CG1 3.48Å; C843-I847 PolarHBondContact O-N 2.85Å
844L92.1Very high87.4Confident0 Ų025.7 Ų25.70%013%0.129CC..Hα-helixtrans-69.6-43.7176.6-70.3176.8000111.2T840 V841 A846 I847 R848 F863 Y866 V875 A879T840-L844 HydrophobicContact CG2-CD1 3.92Å; T840-L844 HydrophobicContact CG2-CG 4.09Å; T840-L844 WeakPolarHBondContact O-CG 3.24Å; T840-L844 PolarHBondContact O-N 2.74Å; V841-L844 PolarHBondContact O-N 2.91Å; L844-A846 VanDerWaalsContact C-N 3.29Å; L844-A846 PolarHBondContact O-N 3.34Å; L844-I847 PolarHBondContact O-N 3.13Å; L844-R848 PolarHBondContact O-N 3.06Å; L844-F863 HydrophobicContact CB-CE1 4.27Å; L844-F863 HydrophobicContact CD2-CD1 4.14Å; L844-F863 HydrophobicContact CD2-CE1 4.06Å; L844-Y866 HydrophobicContact CD1-CD2 4.43Å; L844-Y866 HydrophobicContact CD1-CG 4.18Å; L844-Y866 HydrophobicContact CD2-CD2 3.58Å; L844-Y866 HydrophobicContact CD2-CE2 3.94Å; L844-Y866 HydrophobicContact CD2-CG 4.16Å; L844-V875 HydrophobicContact CD1-CG1 3.93Å; L844-A879 HydrophobicContact CD1-CB 4.26Å
845R90.9Very high86.9Confident116 Ų11626.1 Ų26.144%0.43813%0.13SC..Hα-helixtrans-59.6-40.7171.2-71.5174.7173.1168.7-0.9111.5V841 R848 Q849 E881V841-R845 WeakPolarHBondContact O-CG 3.23Å; V841-R845 PolarHBondContact O-N 3.35Å; V841-R845 VanDerWaalsContact O-N 3.11Å; R845-R848 PolarHBondContact O-N 2.7Å; R845-Q849 PolarHBondContact O-N 3.14Å; R845-E881 IonicContact CZ-OE1 3.5Å; R845-E881 IonicContact CZ-OE2 3.39Å; R845-E881 VanDerWaalsContact CZ-OE2 3.27Å; R845-E881 IonicContact NE-OE2 3.45Å; R845-E881 PolarHBondContact NE-OE2 3.37Å; R845-E881 IonicContact NH2-OE1 3.05Å; R845-E881 PolarHBondContact NH2-OE1 2.69Å; R845-E881 IonicContact NH2-OE2 3.46Å; R845-E881 PolarHBondContact NH2-OE2 2.69Å
846A89.7Confident86.7Confident1 Ų126.2 Ų26.21%0.00813%0.131CC..Hα-helixtrans-59.1-50174.400000112.6I788 T792 I822 S842 C843 L844 R848 Q849 L850I788-A846 HydrophobicContact CG2-CB 4.12Å; T792-A846 HydrophobicContact CG2-CB 4.22Å; T792-A846 WeakPolarHBondContact OG1-CA 3.47Å; T792-A846 WeakPolarHBondContact OG1-CB 3.07Å; I822-A846 HydrophobicContact CD1-CB 3.76Å; I822-A846 HydrophobicContact CG1-CB 4.42Å; S842-A846 VanDerWaalsContact O-CB 3.24Å; S842-A846 WeakPolarHBondContact O-CB 3.3Å; S842-A846 PolarHBondContact O-N 3.46Å; C843-A846 WeakPolarHBondContact O-CB 3.39Å; C843-A846 PolarHBondContact O-N 3.17Å; L844-A846 VanDerWaalsContact C-N 3.29Å; L844-A846 PolarHBondContact O-N 3.34Å; A846-R848 PolarHBondContact O-N 3.28Å; A846-Q849 PolarHBondContact O-N 3.06Å; A846-L850 WeakPolarHBondContact O-CB 3.44Å; A846-L850 WeakPolarHBondContact O-CG 3.47Å; A846-L850 PolarHBondContact O-N 3.24Å
847I90.6Very high86.4Confident18 Ų1827 Ų279%0.09214%0.141CC..Hα-helixtrans-63.4-40.7178.8-66.5164.7000111I822 L826 C843 L844 Q849 L850 Q851 I856 L862 F863I822-I847 HydrophobicContact CG2-CD1 4.14Å; I822-I847 HydrophobicContact CG2-CG1 4.14Å; L826-I847 HydrophobicContact CD1-CD1 4.06Å; C843-I847 VanDerWaalsContact O-CG1 3.26Å; C843-I847 WeakPolarHBondContact O-CG1 3.48Å; C843-I847 PolarHBondContact O-N 2.85Å; L844-I847 PolarHBondContact O-N 3.13Å; I847-Q849 PolarHBondContact O-N 3.14Å; I847-L850 WeakPolarHBondContact O-CB 3.5Å; I847-L850 PolarHBondContact O-N 3.32Å; I847-Q851 PolarHBondContact O-N 2.83Å; I847-I856 HydrophobicContact CG2-CD1 4.27Å; I847-L862 HydrophobicContact CD1-CD2 3.95Å; I847-L862 HydrophobicContact CG2-CD2 4.11Å; I847-F863 HydrophobicContact CB-CZ 4.32Å; I847-F863 HydrophobicContact CG2-CZ 3.93Å
848R89.6Confident86Confident6 Ų627.1 Ų27.12%0.02315%0.145CC..Hα-helixtrans-66.6-36.7176.9-173.665.1-165.8124.611.1112.1L844 R845 A846 Q851 K852 F863 A882 D885L844-R848 PolarHBondContact O-N 3.06Å; R845-R848 PolarHBondContact O-N 2.7Å; A846-R848 PolarHBondContact O-N 3.28Å; R848-Q851 PolarHBondContact O-N 2.9Å; R848-K852 WeakPolarHBondContact O-CG 3.28Å; R848-K852 PolarHBondContact O-N 2.9Å; R848-F863 HydrophobicContact CB-CE1 4.28Å; R848-F863 HydrophobicContact CB-CE2 4.49Å; R848-F863 HydrophobicContact CB-CZ 3.78Å; R848-A882 HydrophobicContact CB-CB 3.81Å; R848-A882 WeakPolarHBondContact CD-O 3.41Å; R848-A882 HydrophobicContact CG-CB 3.76Å; R848-A882 PolarHBondContact NE-O 2.99Å; R848-D885 PolarHBondContact NH2-O 2.68Å
849Q85.6Confident85.8Confident60 Ų6030.2 Ų30.228%0.2816%0.161SC..Hα-helixtrans-71.3-34.3175.3-169.858.74100112.4T792 R845 A846 I847 Q851 K852 N853T792-Q849 HydrophobicContact CG2-CB 3.54Å; T792-Q849 HydrophobicContact CG2-CG 3.77Å; R845-Q849 PolarHBondContact O-N 3.14Å; A846-Q849 PolarHBondContact O-N 3.06Å; I847-Q849 PolarHBondContact O-N 3.14Å; Q849-Q851 VanDerWaalsContact C-N 3.35Å; Q849-K852 PolarHBondContact O-N 2.94Å; Q849-K852 VanDerWaalsContact OE1-CD 3.3Å; Q849-N853 PolarHBondContact NE2-OD1 2.62Å; Q849-N853 VanDerWaalsContact O-CB 3.32Å; Q849-N853 WeakPolarHBondContact O-CB 3.23Å; Q849-N853 VanDerWaalsContact O-CG 3.28Å; Q849-N853 PolarHBondContact O-N 3.35Å
850L84.3Confident85.6Confident1 Ų131 Ų311%0.00517%0.167CC..Hα-helixtrans-60.7-41.1170.5-81.2159.7000112.3L795 V815 L819 I822 A846 I847 N853 G854 H855 I856L795-L850 HydrophobicContact CD1-CD2 3.33Å; L795-L850 HydrophobicContact CD1-CG 4.33Å; V815-L850 HydrophobicContact CG1-CD2 4.13Å; L819-L850 HydrophobicContact CD2-CD1 4.05Å; I822-L850 HydrophobicContact CD1-CD1 3.78Å; A846-L850 WeakPolarHBondContact O-CB 3.44Å; A846-L850 WeakPolarHBondContact O-CG 3.47Å; A846-L850 PolarHBondContact O-N 3.24Å; I847-L850 WeakPolarHBondContact O-CB 3.5Å; I847-L850 PolarHBondContact O-N 3.32Å; L850-N853 PolarHBondContact O-N 2.88Å; L850-G854 PolarHBondContact O-N 3.47Å; L850-H855 HydrophobicContact CD2-CB 3.98Å; L850-H855 PolarHBondContact O-N 2.84Å; L850-I856 HydrophobicContact CB-CD1 3.44Å; L850-I856 VanDerWaalsContact CB-CD1 3.44Å; L850-I856 HydrophobicContact CB-CG1 3.94Å; L850-I856 HydrophobicContact CD1-CD1 4.01Å; L850-I856 HydrophobicContact CG-CD1 4.24Å
851Q84.4Confident85.5Confident16 Ų1634 Ų348%0.07519%0.188CC..Hα-helixtrans-63.9-49.6170.8-72.2-177.8-20.800112.3I847 R848 Q849 N853 G854 I856 P857 D859I847-Q851 PolarHBondContact O-N 2.83Å; R848-Q851 PolarHBondContact O-N 2.9Å; Q849-Q851 VanDerWaalsContact C-N 3.35Å; Q851-N853 PolarHBondContact O-N 3.05Å; Q851-G854 PolarHBondContact O-N 2.84Å; Q851-I856 HydrophobicContact CG-CB 4.1Å; Q851-I856 HydrophobicContact CG-CG2 4.35Å; Q851-P857 PolarHBondContact NE2-O 2.89Å; Q851-P857 VanDerWaalsContact NE2-O 3.13Å; Q851-D859 PolarHBondContact NE2-O 3.12Å
852K82.1Confident85.4Confident82 Ų8236.6 Ų36.636%0.35720%0.201SC..Hα-helixtrans-56.2-33.3176.5-73.8170.2178174.20112.9R848 Q849 G854 D885R848-K852 WeakPolarHBondContact O-CG 3.28Å; R848-K852 PolarHBondContact O-N 2.9Å; Q849-K852 PolarHBondContact O-N 2.94Å; Q849-K852 VanDerWaalsContact OE1-CD 3.3Å; K852-G854 VanDerWaalsContact C-N 3.28Å; K852-D885 VanDerWaalsContact CE-OD2 3.24Å; K852-D885 WeakPolarHBondContact CE-OD2 3.38Å; K852-D885 IonicContact NZ-OD2 3.5Å; K852-D885 PolarHBondContact NZ-OD2 2.79Å
853N80.2Confident85.5Confident12 Ų1236 Ų366%0.06420%0.197CC..THydrogen-bonded Turntrans-81.4-0.6177-75.20.3000113.6L795 A798 Q849 L850 Q851 H855L795-N853 PolarHBondContact O-ND2 3.41Å; A798-N853 PolarHBondContact N-O 3.47Å; Q849-N853 PolarHBondContact NE2-OD1 2.62Å; Q849-N853 VanDerWaalsContact O-CB 3.32Å; Q849-N853 WeakPolarHBondContact O-CB 3.23Å; Q849-N853 VanDerWaalsContact O-CG 3.28Å; Q849-N853 PolarHBondContact O-N 3.35Å; L850-N853 PolarHBondContact O-N 2.88Å; Q851-N853 PolarHBondContact O-N 3.05Å; N853-H855 VanDerWaalsContact C-N 3.34Å; N853-H855 VanDerWaalsContact CB-CD2 3.48Å; N853-H855 WeakPolarHBondContact CB-CD2 3.4Å; N853-H855 PolarHBondContact O-N 2.78Å
854G75.5Confident85.5Confident33 Ų3338.2 Ų38.234%0.3421%0.207SC..THydrogen-bonded Turntrans73.616.6179.900000115.2R806 L850 Q851 K852R806-G854 PolarHBondContact NH1-O 2.88Å; L850-G854 PolarHBondContact O-N 3.47Å; Q851-G854 PolarHBondContact O-N 2.84Å; K852-G854 VanDerWaalsContact C-N 3.28Å
855H74.9Confident85.5Confident22 Ų2240.2 Ų40.210%0.10222%0.223CC..SBendtrans-85.8-22.5-179.7-69.7-66.5000113.5T796 L811 V815 L850 N853T796-H855 PolarHBondContact O-NE2 2.99Å; L811-H855 WeakPolarHBondContact CD2-O 3.16Å; V815-H855 HydrophobicContact CG1-CB 4.04Å; L850-H855 HydrophobicContact CD2-CB 3.98Å; L850-H855 PolarHBondContact O-N 2.84Å; N853-H855 VanDerWaalsContact C-N 3.34Å; N853-H855 VanDerWaalsContact CB-CD2 3.48Å; N853-H855 WeakPolarHBondContact CB-CD2 3.4Å; N853-H855 PolarHBondContact O-N 2.78Å
856I78.8Confident85.6Confident37 Ų3737.4 Ų37.419%0.1921%0.213CC..SBendtrans-128.3144.1178.5-53.6173.1000107.2L819 I847 L850 Q851L819-I856 HydrophobicContact CD2-CD1 3.86Å; I847-I856 HydrophobicContact CG2-CD1 4.27Å; L850-I856 HydrophobicContact CB-CD1 3.44Å; L850-I856 VanDerWaalsContact CB-CD1 3.44Å; L850-I856 HydrophobicContact CB-CG1 3.94Å; L850-I856 HydrophobicContact CD1-CD1 4.01Å; L850-I856 HydrophobicContact CG-CD1 4.24Å; Q851-I856 HydrophobicContact CG-CB 4.1Å; Q851-I856 HydrophobicContact CG-CG2 4.35Å
857P79.9Confident85.7Confident55 Ų5537.4 Ų37.436%0.35721%0.213SC..  trans-51.2144.5166.622.1-34.6000112.5Q851 D859Q851-P857 PolarHBondContact NE2-O 2.89Å; Q851-P857 VanDerWaalsContact NE2-O 3.13Å; P857-D859 PolarHBondContact O-N 2.87Å
858S78.8Confident85.6Confident45 Ų4541.9 Ų41.932%0.31523%0.233SC..  trans-7872177.830.90000111.4Y886 E890S858-Y886 VanDerWaalsContact O-CE2 3.29Å; S858-Y886 WeakPolarHBondContact O-CE2 3.46Å; S858-Y886 PolarHBondContact O-OH 3.18Å; S858-E890 WeakPolarHBondContact CB-OE1 3.14Å; S858-E890 PolarHBondContact OG-OE1 3.03Å
859D84.7Confident85.5Confident85 Ų8546 Ų4646%0.45525%0.25SC..  trans-91.1124.8171.2-70.9-60.9000111.4Q851 P857Q851-D859 PolarHBondContact NE2-O 3.12Å; P857-D859 PolarHBondContact O-N 2.87Å
860P87.9Confident85.3Confident20 Ų2046.6 Ų46.613%0.1327%0.271CS..  trans-86.9-11.5175.433.4-33.3000113.1L862 F863 K864 L883 Y886P860-L862 PolarHBondContact O-N 2.98Å; P860-F863 PolarHBondContact O-N 2.88Å; P860-F863 VanDerWaalsContact O-N 3.14Å; P860-K864 PolarHBondContact O-N 2.93Å; P860-L883 HydrophobicContact CB-CD2 3.78Å; P860-Y886 HydrophobicContact CB-CD1 4.18Å; P860-Y886 HydrophobicContact CB-CD2 4.22Å; P860-Y886 HydrophobicContact CB-CE1 3.98Å; P860-Y886 HydrophobicContact CB-CE2 3.99Å; P860-Y886 HydrophobicContact CB-CG 4.31Å; P860-Y886 HydrophobicContact CG-CE1 4.04Å; P860-Y886 HydrophobicContact CG-CE2 4.19Å
861S89.9Confident85.5Confident77 Ų7750.6 Ų50.654%0.53829%0.29SS..Hα-helixtrans-56.2-42.8-172.553.80000113.6F863 K864 A865S861-F863 PolarHBondContact O-N 3.31Å; S861-K864 PolarHBondContact O-N 2.85Å; S861-A865 PolarHBondContact O-N 2.94Å; S861-A865 VanDerWaalsContact O-N 3.16Å
862L91Very high85.7Confident69 Ų6952.6 Ų52.636%0.36130%0.298SS..Hα-helixtrans-60.3-45.1177.5-173.369.8000111.9I847 P860 A865 Y866I847-L862 HydrophobicContact CD1-CD2 3.95Å; I847-L862 HydrophobicContact CG2-CD2 4.11Å; P860-L862 PolarHBondContact O-N 2.98Å; L862-A865 PolarHBondContact O-N 3.04Å; L862-Y866 HydrophobicContact CD1-CD2 4.25Å; L862-Y866 HydrophobicContact CD1-CE2 3.79Å; L862-Y866 HydrophobicContact CG-CD2 4.15Å; L862-Y866 HydrophobicContact CG-CE2 4.08Å; L862-Y866 VanDerWaalsContact O-CD2 3.27Å; L862-Y866 WeakPolarHBondContact O-CD2 3.17Å; L862-Y866 PolarHBondContact O-N 2.79Å
863F92.4Very high86Confident0 Ų049.6 Ų49.60%029%0.287CS..Hα-helixtrans-72.9-32.3-179.6-57.3-69.7000112.1L844 I847 R848 P860 S861 Y866 A867 A879 A882 L883L844-F863 HydrophobicContact CB-CE1 4.27Å; L844-F863 HydrophobicContact CD2-CD1 4.14Å; L844-F863 HydrophobicContact CD2-CE1 4.06Å; I847-F863 HydrophobicContact CB-CZ 4.32Å; I847-F863 HydrophobicContact CG2-CZ 3.93Å; R848-F863 HydrophobicContact CB-CE1 4.28Å; R848-F863 HydrophobicContact CB-CE2 4.49Å; R848-F863 HydrophobicContact CB-CZ 3.78Å; P860-F863 PolarHBondContact O-N 2.88Å; P860-F863 VanDerWaalsContact O-N 3.14Å; S861-F863 PolarHBondContact O-N 3.31Å; F863-Y866 PolarHBondContact O-N 3.26Å; F863-A867 VanDerWaalsContact O-CB 3.24Å; F863-A867 WeakPolarHBondContact O-CB 3.36Å; F863-A867 PolarHBondContact O-N 3.18Å; F863-A879 HydrophobicContact CB-CB 4.41Å; F863-A879 WeakPolarHBondContact O-CB 3.48Å; F863-A882 HydrophobicContact CD1-CB 3.54Å; F863-A882 HydrophobicContact CD2-CB 4.32Å; F863-A882 HydrophobicContact CE1-CB 3.58Å; F863-A882 HydrophobicContact CE2-CB 4.36Å; F863-A882 HydrophobicContact CG-CB 3.93Å; F863-A882 HydrophobicContact CZ-CB 4.01Å; F863-L883 HydrophobicContact CB-CD1 3.96Å; F863-L883 HydrophobicContact CB-CD2 3.9Å; F863-L883 HydrophobicContact CB-CG 3.62Å
864K92Very high86.4Confident48 Ų4851.3 Ų51.321%0.20930%0.296CS..Hα-helixtrans-59.3-48.1172.3-71.5-174179.8179.60111.1P860 S861 Y866 A867 E868 L883 D895 W898P860-K864 PolarHBondContact O-N 2.93Å; S861-K864 PolarHBondContact O-N 2.85Å; K864-Y866 PolarHBondContact O-N 3Å; K864-A867 PolarHBondContact O-N 2.96Å; K864-A867 VanDerWaalsContact O-N 3.09Å; K864-E868 PolarHBondContact O-N 3Å; K864-L883 HydrophobicContact CG-CD1 4.19Å; K864-L883 HydrophobicContact CG-CD2 4.27Å; K864-D895 WeakPolarHBondContact CE-OD1 3.43Å; K864-D895 IonicContact NZ-OD1 3.88Å; K864-D895 PolarHBondContact NZ-OD1 2.98Å; K864-W898 HydrophobicContact CB-CH2 4.14Å; K864-W898 HydrophobicContact CB-CZ2 3.93Å; K864-W898 HydrophobicContact CD-CD2 4.28Å; K864-W898 HydrophobicContact CD-CZ2 4.21Å; K864-W898 HydrophobicContact CG-CD2 4.43Å; K864-W898 HydrophobicContact CG-CE3 4.46Å; K864-W898 HydrophobicContact CG-CH2 3.87Å; K864-W898 HydrophobicContact CG-CZ2 3.81Å; K864-W898 HydrophobicContact CG-CZ3 4.22Å
865A92.7Very high87.2Confident42 Ų4249.9 Ų49.935%0.34728%0.281SS..Hα-helixtrans-58.6-46.7176.600000112.4S861 L862 A867 E868 H871S861-A865 PolarHBondContact O-N 2.94Å; S861-A865 VanDerWaalsContact O-N 3.16Å; L862-A865 PolarHBondContact O-N 3.04Å; A865-A867 PolarHBondContact O-N 3.5Å; A865-E868 WeakPolarHBondContact O-CB 3.46Å; A865-E868 PolarHBondContact O-N 2.81Å; A865-H871 PolarHBondContact O-CD2 2.74Å
866Y91.9Very high88Confident57 Ų5749.1 Ų49.122%0.22428%0.277CS..Hα-helixtrans-71.2-14.4177.1-76.2-66.6000114.8L844 L862 F863 K864 V875L844-Y866 HydrophobicContact CD1-CD2 4.43Å; L844-Y866 HydrophobicContact CD1-CG 4.18Å; L844-Y866 HydrophobicContact CD2-CD2 3.58Å; L844-Y866 HydrophobicContact CD2-CE2 3.94Å; L844-Y866 HydrophobicContact CD2-CG 4.16Å; L862-Y866 HydrophobicContact CD1-CD2 4.25Å; L862-Y866 HydrophobicContact CD1-CE2 3.79Å; L862-Y866 HydrophobicContact CG-CD2 4.15Å; L862-Y866 HydrophobicContact CG-CE2 4.08Å; L862-Y866 VanDerWaalsContact O-CD2 3.27Å; L862-Y866 WeakPolarHBondContact O-CD2 3.17Å; L862-Y866 PolarHBondContact O-N 2.79Å; F863-Y866 PolarHBondContact O-N 3.26Å; K864-Y866 PolarHBondContact O-N 3Å; Y866-V875 HydrophobicContact CD1-CG1 4.08Å
867A91.8Very high88.6Confident0 Ų048.3 Ų48.30%027%0.273CS..Hα-helixtrans-90.1-8.9173.200000113.3F863 K864 A865 R876 A879 L880 L883 W898F863-A867 VanDerWaalsContact O-CB 3.24Å; F863-A867 WeakPolarHBondContact O-CB 3.36Å; F863-A867 PolarHBondContact O-N 3.18Å; K864-A867 PolarHBondContact O-N 2.96Å; K864-A867 VanDerWaalsContact O-N 3.09Å; A865-A867 PolarHBondContact O-N 3.5Å; A867-R876 PolarHBondContact O-NE 3.11Å; A867-R876 PolarHBondContact O-NH2 3.14Å; A867-A879 HydrophobicContact CB-CB 4.07Å; A867-L880 HydrophobicContact CB-CD1 4.49Å; A867-L880 HydrophobicContact CB-CD2 3.91Å; A867-L880 HydrophobicContact CB-CG 3.9Å; A867-L883 HydrophobicContact CB-CD1 4.33Å; A867-W898 HydrophobicContact CB-CH2 4.03Å
868E89.1Confident89.2Confident112 Ų11245.7 Ų45.752%0.52326%0.257SS..SBendtrans-62.5156.2175.2-74.6170.5-151.400112.3K864 A865 R876K864-E868 PolarHBondContact O-N 3Å; A865-E868 WeakPolarHBondContact O-CB 3.46Å; A865-E868 PolarHBondContact O-N 2.81Å; E868-R876 WeakPolarHBondContact O-CD 3.49Å; E868-R876 PolarHBondContact O-NE 3.02Å
869Y86.7Confident89.9Confident94 Ų9443.6 Ų43.637%0.36924%0.242SC..THydrogen-bonded Turntrans-69.5144.3-179.9177.1-101.5000111.2E300 P907 V908E300-Y869 WeakPolarHBondContact OE1-CE2 3.38Å; Y869-P907 HydrophobicContact CD2-CG 3.47Å; Y869-P907 VanDerWaalsContact CD2-CG 3.47Å; Y869-P907 HydrophobicContact CE2-CB 4.49Å; Y869-P907 HydrophobicContact CE2-CG 3.35Å; Y869-P907 HydrophobicContact CG-CG 4.16Å; Y869-V908 HydrophobicContact CD2-CG2 4.28Å; Y869-V908 HydrophobicContact CE2-CG2 4.13Å
870G82.9Confident90.3Very high71 Ų7139.6 Ų39.673%0.73222%0.22SC*.THydrogen-bonded Turntrans99.2-14.9-172.300000114.4
871H87.3Confident90.5Very high86 Ų8641.3 Ų41.340%0.39823%0.227SC..SBendtrans-80.4152.3164.7-76.8-54.1000112A865 R876A865-H871 PolarHBondContact O-CD2 2.74Å; H871-R876 HydrophobicContact CB-CG 3.75Å; H871-R876 WeakPolarHBondContact O-CD 3.42Å; H871-R876 WeakPolarHBondContact O-CG 3.29Å
872F88.6Confident90.5Very high58 Ų5837.9 Ų37.925%0.25420%0.203SC..  trans-62.9143.4-179.6-176.9-98.7000112.1N317 R836 D874 V875 R876N317-F872 VanDerWaalsContact OD1-CE2 3.3Å; N317-F872 WeakPolarHBondContact OD1-CE2 3.35Å; N317-F872 VanDerWaalsContact OD1-CZ 3.23Å; N317-F872 WeakPolarHBondContact OD1-CZ 3.38Å; R836-F872 HydrophobicContact CB-CD1 4.18Å; R836-F872 HydrophobicContact CB-CE1 3.47Å; R836-F872 VanDerWaalsContact CB-CE1 3.47Å; R836-F872 HydrophobicContact CB-CZ 3.93Å; R836-F872 HydrophobicContact CG-CE1 3.73Å; R836-F872 HydrophobicContact CG-CZ 3.67Å; R836-F872 VanDerWaalsContact O-CD1 3.28Å; R836-F872 WeakPolarHBondContact O-CD1 3.49Å; F872-D874 HydrophobicContact CD1-CB 3.98Å; F872-D874 HydrophobicContact CE1-CB 3.73Å; F872-D874 PolarHBondContact O-N 2.86Å; F872-V875 WeakPolarHBondContact O-CA 3.48Å; F872-V875 WeakPolarHBondContact O-CB 3.38Å; F872-V875 PolarHBondContact O-N 2.88Å; F872-R876 PolarHBondContact O-N 2.93Å
873V88.5Confident90.4Very high19 Ų1934.7 Ų34.712%0.11519%0.186CC..Hα-helixtrans-53.1-49.1-169.4-177.10000113.1V875 R876 V877 Y910 V911V873-V875 VanDerWaalsContact C-N 3.26Å; V873-V875 PolarHBondContact O-N 2.84Å; V873-R876 PolarHBondContact O-N 2.92Å; V873-V877 HydrophobicContact CG1-CG2 4.26Å; V873-V877 WeakPolarHBondContact O-CG2 3.23Å; V873-V877 PolarHBondContact O-N 3.07Å; V873-Y910 HydrophobicContact CG1-CD1 3.87Å; V873-Y910 HydrophobicContact CG1-CE1 4.19Å; V873-V911 HydrophobicContact CG1-CG2 4.3Å
874D89.3Confident90.3Very high47 Ų4734.7 Ų34.725%0.25119%0.186SC..Hα-helixtrans-64.7-30.3-178.3-63.52.5000112.1R836 V841 F872 S878R836-D874 WeakPolarHBondContact CD-OD2 3.17Å; R836-D874 IonicContact NH1-OD2 3.39Å; V841-D874 HydrophobicContact CG2-CB 4.23Å; F872-D874 HydrophobicContact CD1-CB 3.98Å; F872-D874 HydrophobicContact CE1-CB 3.73Å; F872-D874 PolarHBondContact O-N 2.86Å; D874-S878 WeakPolarHBondContact O-CB 3.24Å; D874-S878 PolarHBondContact O-N 2.49Å
875V91.6Very high90.1Very high4 Ų433.4 Ų33.42%0.02418%0.182CC..Hα-helixtrans-71.1-45.8174.1175.80000110.7N837 T840 V841 L844 Y866 F872 V873 S878 A879N837-V875 HydrophobicContact CB-CG2 3.61Å; T840-V875 HydrophobicContact CG2-CG1 3.79Å; T840-V875 HydrophobicContact CG2-CG2 4.04Å; V841-V875 HydrophobicContact CG2-CG2 4.18Å; L844-V875 HydrophobicContact CD1-CG1 3.93Å; Y866-V875 HydrophobicContact CD1-CG1 4.08Å; F872-V875 WeakPolarHBondContact O-CA 3.48Å; F872-V875 WeakPolarHBondContact O-CB 3.38Å; F872-V875 PolarHBondContact O-N 2.88Å; V873-V875 VanDerWaalsContact C-N 3.26Å; V873-V875 PolarHBondContact O-N 2.84Å; V875-S878 PolarHBondContact O-N 3.03Å; V875-A879 PolarHBondContact O-N 2.96Å
876R93.2Very high89.9Confident5 Ų532.4 Ų32.42%0.01917%0.169CC..Hα-helixtrans-60.1-47.1176.3-62.9-17472.4-150.5-0.8110.8A867 E868 H871 F872 V873 S878 A879 L880 D906A867-R876 PolarHBondContact O-NE 3.11Å; A867-R876 PolarHBondContact O-NH2 3.14Å; E868-R876 WeakPolarHBondContact O-CD 3.49Å; E868-R876 PolarHBondContact O-NE 3.02Å; H871-R876 HydrophobicContact CB-CG 3.75Å; H871-R876 WeakPolarHBondContact O-CD 3.42Å; H871-R876 WeakPolarHBondContact O-CG 3.29Å; F872-R876 PolarHBondContact O-N 2.93Å; V873-R876 PolarHBondContact O-N 2.92Å; R876-S878 PolarHBondContact O-N 2.8Å; R876-A879 PolarHBondContact O-N 2.88Å; R876-L880 WeakPolarHBondContact O-CB 3.26Å; R876-L880 WeakPolarHBondContact O-CD1 3.46Å; R876-L880 VanDerWaalsContact O-CG 3.23Å; R876-L880 WeakPolarHBondContact O-CG 3.26Å; R876-L880 PolarHBondContact O-N 2.93Å; R876-D906 IonicContact CZ-OD1 2.77Å; R876-D906 VanDerWaalsContact CZ-OD1 3.29Å; R876-D906 IonicContact CZ-OD2 3.3Å; R876-D906 IonicContact NH1-OD1 3.03Å; R876-D906 PolarHBondContact NH1-OD1 3.12Å; R876-D906 IonicContact NH1-OD2 3.9Å; R876-D906 PolarHBondContact NH1-OD2 3.39Å; R876-D906 IonicContact NH2-OD1 2.67Å; R876-D906 PolarHBondContact NH2-OD1 3.21Å; R876-D906 IonicContact NH2-OD2 3.29Å
877V91.3Very high89.6Confident20 Ų2029.7 Ų29.712%0.12116%0.158CC..Hα-helixtrans-60.1-44.1176.5172.40000110.7V873 A879 L880 E881 Y910 E914V873-V877 HydrophobicContact CG1-CG2 4.26Å; V873-V877 WeakPolarHBondContact O-CG2 3.23Å; V873-V877 PolarHBondContact O-N 3.07Å; V877-A879 PolarHBondContact O-N 3.1Å; V877-L880 CarbonylContact O-C 3.18Å; V877-L880 PolarHBondContact O-N 3.18Å; V877-L880 VanDerWaalsContact O-N 3.13Å; V877-E881 WeakPolarHBondContact O-CG 3.37Å; V877-E881 PolarHBondContact O-N 3.43Å; V877-Y910 HydrophobicContact CG2-CE1 4.33Å; V877-E914 HydrophobicContact CG1-CB 4.5Å; V877-E914 HydrophobicContact CG2-CB 4.44Å; V877-E914 HydrophobicContact CG2-CG 4.44Å
878S91Very high89.2Confident1 Ų134.3 Ų34.31%0.00718%0.176CC..Hα-helixtrans-66.1-34.6177.3-171.40000114V841 D874 V875 R876 L880 A882V841-S878 PolarHBondContact O-OG 2.75Å; D874-S878 WeakPolarHBondContact O-CB 3.24Å; D874-S878 PolarHBondContact O-N 2.49Å; V875-S878 PolarHBondContact O-N 3.03Å; R876-S878 PolarHBondContact O-N 2.8Å; S878-L880 VanDerWaalsContact C-N 3.32Å; S878-A882 PolarHBondContact O-N 2.76Å
879A93.7Very high89Confident0 Ų032.8 Ų32.80%017%0.174CC..Hα-helixtrans-67.4-34.9171.600000111.9L844 F863 A867 V875 R876 V877 A882 L883L844-A879 HydrophobicContact CD1-CB 4.26Å; F863-A879 HydrophobicContact CB-CB 4.41Å; F863-A879 WeakPolarHBondContact O-CB 3.48Å; A867-A879 HydrophobicContact CB-CB 4.07Å; V875-A879 PolarHBondContact O-N 2.96Å; R876-A879 PolarHBondContact O-N 2.88Å; V877-A879 PolarHBondContact O-N 3.1Å; A879-A882 WeakPolarHBondContact O-CB 3.44Å; A879-A882 PolarHBondContact O-N 2.87Å; A879-L883 WeakPolarHBondContact O-CG 3.42Å; A879-L883 PolarHBondContact O-N 3.41Å
880L92.6Very high88.6Confident1 Ų132.4 Ų32.41%0.00518%0.175CC..Hα-helixtrans-76.5-34.5177.3-68.7162.1000112.8A867 R876 V877 S878 A882 L883 V884 W898 L899 M902 V911 I915 M918A867-L880 HydrophobicContact CB-CD1 4.49Å; A867-L880 HydrophobicContact CB-CD2 3.91Å; A867-L880 HydrophobicContact CB-CG 3.9Å; R876-L880 WeakPolarHBondContact O-CB 3.26Å; R876-L880 WeakPolarHBondContact O-CD1 3.46Å; R876-L880 VanDerWaalsContact O-CG 3.23Å; R876-L880 WeakPolarHBondContact O-CG 3.26Å; R876-L880 PolarHBondContact O-N 2.93Å; V877-L880 CarbonylContact O-C 3.18Å; V877-L880 PolarHBondContact O-N 3.18Å; V877-L880 VanDerWaalsContact O-N 3.13Å; S878-L880 VanDerWaalsContact C-N 3.32Å; L880-A882 VanDerWaalsContact C-N 3.26Å; L880-A882 PolarHBondContact O-N 3.32Å; L880-L883 HydrophobicContact CD2-CD1 4.3Å; L880-L883 PolarHBondContact O-N 3.01Å; L880-V884 WeakPolarHBondContact O-CG2 3.01Å; L880-V884 PolarHBondContact O-N 3.11Å; L880-W898 HydrophobicContact CD2-CZ3 4.28Å; L880-L899 HydrophobicContact CD2-CD2 3.64Å; L880-M902 HydrophobicContact CD1-SD 4.28Å; L880-M902 HydrophobicContact CD2-SD 3.78Å; L880-V911 HydrophobicContact CD1-CG1 3.43Å; L880-V911 VanDerWaalsContact CD1-CG1 3.43Å; L880-I915 HydrophobicContact CB-CG1 4.35Å; L880-I915 HydrophobicContact CD1-CD1 3.87Å; L880-I915 HydrophobicContact CD1-CG1 3.79Å; L880-I915 HydrophobicContact CD2-CD1 4.07Å; L880-I915 HydrophobicContact CD2-CG1 4.08Å; L880-I915 HydrophobicContact CG-CG1 4.29Å; L880-M918 HydrophobicContact CB-CE 3.73Å
881E92.1Very high88.5Confident57 Ų5736.3 Ų36.327%0.26617%0.168SC..Hα-helixtrans-51.5-50.4164.9-74.5175163.300109.6R845 V877 L883 V884 D885 M918R845-E881 IonicContact CZ-OE1 3.5Å; R845-E881 IonicContact CZ-OE2 3.39Å; R845-E881 VanDerWaalsContact CZ-OE2 3.27Å; R845-E881 IonicContact NE-OE2 3.45Å; R845-E881 PolarHBondContact NE-OE2 3.37Å; R845-E881 IonicContact NH2-OE1 3.05Å; R845-E881 PolarHBondContact NH2-OE1 2.69Å; R845-E881 IonicContact NH2-OE2 3.46Å; R845-E881 PolarHBondContact NH2-OE2 2.69Å; V877-E881 WeakPolarHBondContact O-CG 3.37Å; V877-E881 PolarHBondContact O-N 3.43Å; E881-L883 PolarHBondContact O-N 2.72Å; E881-V884 PolarHBondContact O-N 2.7Å; E881-D885 WeakPolarHBondContact O-CB 3.29Å; E881-D885 PolarHBondContact O-N 2.54Å; E881-M918 VanDerWaalsContact CA-SD 3.54Å; E881-M918 HydrophobicContact CB-SD 3.96Å; E881-M918 HydrophobicContact CG-SD 3.32Å; E881-M918 WeakPolarHBondContact CG-SD 3.46Å
882A90.1Very high88.3Confident4 Ų433.6 Ų33.63%0.03316%0.159CC..Hα-helixtrans-64.8-37-179.200000113.2R848 F863 S878 A879 L880 D885 Y886R848-A882 HydrophobicContact CB-CB 3.81Å; R848-A882 WeakPolarHBondContact CD-O 3.41Å; R848-A882 HydrophobicContact CG-CB 3.76Å; R848-A882 PolarHBondContact NE-O 2.99Å; F863-A882 HydrophobicContact CD1-CB 3.54Å; F863-A882 HydrophobicContact CD2-CB 4.32Å; F863-A882 HydrophobicContact CE1-CB 3.58Å; F863-A882 HydrophobicContact CE2-CB 4.36Å; F863-A882 HydrophobicContact CG-CB 3.93Å; F863-A882 HydrophobicContact CZ-CB 4.01Å; S878-A882 PolarHBondContact O-N 2.76Å; A879-A882 WeakPolarHBondContact O-CB 3.44Å; A879-A882 PolarHBondContact O-N 2.87Å; L880-A882 VanDerWaalsContact C-N 3.26Å; L880-A882 PolarHBondContact O-N 3.32Å; A882-D885 CarbonylContact O-C 3.6Å; A882-Y886 WeakPolarHBondContact O-CB 3.4Å; A882-Y886 PolarHBondContact O-N 2.8Å
883L90.6Very high87.9Confident2 Ų234.3 Ų34.31%0.0117%0.171CC..Hα-helixtrans-74.8-37177.3-75.3167.3000113.5P860 F863 K864 A867 A879 L880 E881 D885 Y886 T887 W898 L899P860-L883 HydrophobicContact CB-CD2 3.78Å; F863-L883 HydrophobicContact CB-CD1 3.96Å; F863-L883 HydrophobicContact CB-CD2 3.9Å; F863-L883 HydrophobicContact CB-CG 3.62Å; K864-L883 HydrophobicContact CG-CD1 4.19Å; K864-L883 HydrophobicContact CG-CD2 4.27Å; A867-L883 HydrophobicContact CB-CD1 4.33Å; A879-L883 WeakPolarHBondContact O-CG 3.42Å; A879-L883 PolarHBondContact O-N 3.41Å; L880-L883 HydrophobicContact CD2-CD1 4.3Å; L880-L883 PolarHBondContact O-N 3.01Å; E881-L883 PolarHBondContact O-N 2.72Å; L883-D885 VanDerWaalsContact C-N 3.34Å; L883-Y886 WeakPolarHBondContact O-CA 3.38Å; L883-Y886 VanDerWaalsContact O-CB 3.3Å; L883-Y886 WeakPolarHBondContact O-CB 3.48Å; L883-Y886 PolarHBondContact O-N 3.26Å; L883-Y886 VanDerWaalsContact O-N 3.09Å; L883-T887 PolarHBondContact O-N 3.35Å; L883-W898 HydrophobicContact CD1-CH2 4.05Å; L883-W898 HydrophobicContact CD1-CZ3 3.63Å; L883-L899 HydrophobicContact CB-CD2 4.28Å
884V90.1Very high87.9Confident0 Ų036.5 Ų36.50%019%0.191CC..Hα-helixtrans-62.1-46.8170.21710000109.3L880 E881 Y886 T887 R888 L899 M918 L919 N922L880-V884 WeakPolarHBondContact O-CG2 3.01Å; L880-V884 PolarHBondContact O-N 3.11Å; E881-V884 PolarHBondContact O-N 2.7Å; V884-Y886 PolarHBondContact O-N 3.16Å; V884-T887 PolarHBondContact O-N 3.37Å; V884-T887 PolarHBondContact O-OG1 3.45Å; V884-R888 PolarHBondContact O-N 3.22Å; V884-L899 HydrophobicContact CG2-CD1 4.16Å; V884-M918 HydrophobicContact CB-CB 4.47Å; V884-M918 HydrophobicContact CG1-CB 4.35Å; V884-M918 HydrophobicContact CG2-CB 4.12Å; V884-L919 HydrophobicContact CG1-CD1 4.02Å; V884-L919 HydrophobicContact CG2-CD1 4.44Å; V884-N922 HydrophobicContact CG1-CB 3.92Å
885D88.2Confident87.7Confident21 Ų2134.9 Ų34.911%0.11218%0.182CC..Hα-helixtrans-64-18.4172.5-100.1-17.6000114.3R848 K852 E881 A882 L883 R888 V889R848-D885 PolarHBondContact NH2-O 2.68Å; K852-D885 VanDerWaalsContact CE-OD2 3.24Å; K852-D885 WeakPolarHBondContact CE-OD2 3.38Å; K852-D885 IonicContact NZ-OD2 3.5Å; K852-D885 PolarHBondContact NZ-OD2 2.79Å; E881-D885 WeakPolarHBondContact O-CB 3.29Å; E881-D885 PolarHBondContact O-N 2.54Å; A882-D885 CarbonylContact O-C 3.6Å; L883-D885 VanDerWaalsContact C-N 3.34Å; D885-R888 IonicContact OD1-CZ 2.76Å; D885-R888 IonicContact OD1-NE 2.8Å; D885-R888 IonicContact OD1-NH2 3.2Å; D885-R888 PolarHBondContact OD1-NH2 3.46Å; D885-V889 WeakPolarHBondContact O-CG2 3.41Å
886Y87.8Confident87.5Confident22 Ų2235.1 Ų35.19%0.08618%0.184CC..Hα-helixtrans-77.2-54.3172.2179.8-84.9000110.7S858 P860 A882 L883 V884 R888 V889 E890 D895S858-Y886 VanDerWaalsContact O-CE2 3.29Å; S858-Y886 WeakPolarHBondContact O-CE2 3.46Å; S858-Y886 PolarHBondContact O-OH 3.18Å; P860-Y886 HydrophobicContact CB-CD1 4.18Å; P860-Y886 HydrophobicContact CB-CD2 4.22Å; P860-Y886 HydrophobicContact CB-CE1 3.98Å; P860-Y886 HydrophobicContact CB-CE2 3.99Å; P860-Y886 HydrophobicContact CB-CG 4.31Å; P860-Y886 HydrophobicContact CG-CE1 4.04Å; P860-Y886 HydrophobicContact CG-CE2 4.19Å; A882-Y886 WeakPolarHBondContact O-CB 3.4Å; A882-Y886 PolarHBondContact O-N 2.8Å; L883-Y886 WeakPolarHBondContact O-CA 3.38Å; L883-Y886 VanDerWaalsContact O-CB 3.3Å; L883-Y886 WeakPolarHBondContact O-CB 3.48Å; L883-Y886 PolarHBondContact O-N 3.26Å; L883-Y886 VanDerWaalsContact O-N 3.09Å; V884-Y886 PolarHBondContact O-N 3.16Å; Y886-R888 PolarHBondContact O-N 3.15Å; Y886-V889 PolarHBondContact O-N 3.48Å; Y886-E890 HydrophobicContact CD2-CG 4.17Å; Y886-E890 HydrophobicContact CE1-CB 4.1Å; Y886-E890 HydrophobicContact CE1-CG 4.14Å; Y886-E890 HydrophobicContact CE2-CG 3.76Å; Y886-E890 PolarHBondContact O-N 3.42Å; Y886-D895 HydrophobicContact CD1-CB 4.41Å; Y886-D895 HydrophobicContact CE1-CB 4.4Å; Y886-D895 WeakPolarHBondContact CE1-OD2 3.17Å
887T85.5Confident87.3Confident0 Ų038.5 Ų38.50%020%0.2CC..Hα-helixtrans-57.7-33179.859.50000113.2L883 V884 R891 D895 L896 L899L883-T887 PolarHBondContact O-N 3.35Å; V884-T887 PolarHBondContact O-N 3.37Å; V884-T887 PolarHBondContact O-OG1 3.45Å; T887-R891 WeakPolarHBondContact O-CA 3.24Å; T887-R891 PolarHBondContact O-N 2.93Å; T887-D895 HydrophobicContact CG2-CB 3.77Å; T887-L896 HydrophobicContact CG2-CB 4.38Å; T887-L899 HydrophobicContact CG2-CD1 3.9Å
888R84.2Confident87.3Confident97 Ų9740.9 Ų40.937%0.36621%0.207SC..Hα-helixtrans-68.8-32.6175.1-177.9173.666.2168.7-7.6114.5V884 D885 Y886 N922 P923V884-R888 PolarHBondContact O-N 3.22Å; D885-R888 IonicContact OD1-CZ 2.76Å; D885-R888 IonicContact OD1-NE 2.8Å; D885-R888 IonicContact OD1-NH2 3.2Å; D885-R888 PolarHBondContact OD1-NH2 3.46Å; Y886-R888 PolarHBondContact O-N 3.15Å; R888-N922 PolarHBondContact NH1-OD1 3.38Å; R888-N922 PolarHBondContact NH2-OD1 3.24Å; R888-N922 VanDerWaalsContact NH2-OD1 3.14Å; R888-P923 WeakPolarHBondContact CD-O 3.27Å
889V83.4Confident87.3Confident80 Ų8041 Ų4149%0.48521%0.207SC..Hα-helixtrans-87.3-54.9-177.4174.30000110.5D885 Y886D885-V889 WeakPolarHBondContact O-CG2 3.41Å; Y886-V889 PolarHBondContact O-N 3.48Å
890E79.2Confident87.1Confident85 Ų8541 Ų4140%0.39721%0.207SC..Hα-helixtrans-83.1-12.4-174.4-58.6-62.5168.700113.3S858 Y886 S892S858-E890 WeakPolarHBondContact CB-OE1 3.14Å; S858-E890 PolarHBondContact OG-OE1 3.03Å; Y886-E890 HydrophobicContact CD2-CG 4.17Å; Y886-E890 HydrophobicContact CE1-CB 4.1Å; Y886-E890 HydrophobicContact CE1-CG 4.14Å; Y886-E890 HydrophobicContact CE2-CG 3.76Å; Y886-E890 PolarHBondContact O-N 3.42Å; E890-S892 PolarHBondContact O-N 3.22Å; E890-S892 VanDerWaalsContact O-N 3.13Å
891R80.5Confident87Confident154 Ų15444.3 Ų44.358%0.58123%0.225SC*.  trans53.830.3-178.5-58.7178.9177.5178.3-1.3114.2T887 S893 L933T887-R891 WeakPolarHBondContact O-CA 3.24Å; T887-R891 PolarHBondContact O-N 2.93Å; R891-S893 PolarHBondContact O-N 2.88Å; R891-L933 HydrophobicContact CB-CD1 4.09Å; R891-L933 WeakPolarHBondContact O-CD2 3.13Å
892S82.4Confident86.8Confident29 Ų2942.5 Ų42.520%0.20322%0.217CC..  trans-67.1121.6177.7175.10000112.1E890 D895 L896E890-S892 PolarHBondContact O-N 3.22Å; E890-S892 VanDerWaalsContact O-N 3.13Å; S892-D895 WeakPolarHBondContact CB-OD2 3.44Å; S892-D895 PolarHBondContact OG-N 3.29Å; S892-D895 PolarHBondContact OG-OD2 2.91Å; S892-L896 PolarHBondContact O-N 3.42Å
893S81.5Confident86.7Confident73 Ų7342.5 Ų42.551%0.5122%0.216SC..Hα-helixtrans-71.9-36.6175.354.40000112.6R891 D895 L896 Q897R891-S893 PolarHBondContact O-N 2.88Å; S893-D895 PolarHBondContact O-N 3.18Å; S893-L896 PolarHBondContact O-N 3.02Å; S893-Q897 WeakPolarHBondContact O-CB 3.46Å; S893-Q897 PolarHBondContact O-N 2.8Å
894A86.9Confident86.6Confident65 Ų6547.5 Ų47.554%0.53724%0.239SC..Hα-helixtrans-67.4-35-179.400000112.5W898A894-W898 WeakPolarHBondContact O-CB 3.43Å; A894-W898 PolarHBondContact O-N 3.15Å
895D86.7Confident86.4Confident12 Ų1251.7 Ų51.76%0.06427%0.269CS..Hα-helixtrans-76.9-34.7177.2-63.3-63000112K864 Y886 T887 S892 S893 W898 L899K864-D895 WeakPolarHBondContact CE-OD1 3.43Å; K864-D895 IonicContact NZ-OD1 3.88Å; K864-D895 PolarHBondContact NZ-OD1 2.98Å; Y886-D895 HydrophobicContact CD1-CB 4.41Å; Y886-D895 HydrophobicContact CE1-CB 4.4Å; Y886-D895 WeakPolarHBondContact CE1-OD2 3.17Å; T887-D895 HydrophobicContact CG2-CB 3.77Å; S892-D895 WeakPolarHBondContact CB-OD2 3.44Å; S892-D895 PolarHBondContact OG-N 3.29Å; S892-D895 PolarHBondContact OG-OD2 2.91Å; S893-D895 PolarHBondContact O-N 3.18Å; D895-W898 PolarHBondContact O-N 3.31Å; D895-L899 WeakPolarHBondContact O-CG 3.49Å; D895-L899 PolarHBondContact O-N 2.85Å
896L87.3Confident86.3Confident10 Ų1051.2 Ų51.25%0.05227%0.266CS..Hα-helixtrans-64.5-42.1170.7-178.861.4000111.7T887 S892 S893 L899 L900 L919 P924 L933 L938T887-L896 HydrophobicContact CG2-CB 4.38Å; S892-L896 PolarHBondContact O-N 3.42Å; S893-L896 PolarHBondContact O-N 3.02Å; L896-L899 PolarHBondContact O-N 3.47Å; L896-L900 WeakPolarHBondContact O-CG 3.3Å; L896-L900 PolarHBondContact O-N 2.92Å; L896-L900 VanDerWaalsContact O-N 3.12Å; L896-L919 HydrophobicContact CD1-CD1 4.29Å; L896-L919 HydrophobicContact CD1-CD2 4.02Å; L896-P924 HydrophobicContact CD1-CG 4.36Å; L896-P924 HydrophobicContact CD2-CG 4.31Å; L896-L933 HydrophobicContact CD2-CD2 4.34Å; L896-L938 HydrophobicContact CD2-CD1 4.33Å; L896-L938 HydrophobicContact CD2-CD2 4.07Å
897Q89Confident86.2Confident76 Ų7652.7 Ų52.736%0.35528%0.279SS..Hα-helixtrans-58.3-49.9173.7-174.463.754.200111S893 L899 L900 D901S893-Q897 WeakPolarHBondContact O-CB 3.46Å; S893-Q897 PolarHBondContact O-N 2.8Å; Q897-L899 VanDerWaalsContact C-N 3.31Å; Q897-L899 PolarHBondContact O-N 2.88Å; Q897-L900 PolarHBondContact O-N 3.42Å; Q897-L900 VanDerWaalsContact O-N 3.11Å; Q897-D901 PolarHBondContact NE2-OD1 2.88Å; Q897-D901 PolarHBondContact NE2-OD2 2.79Å; Q897-D901 PolarHBondContact O-N 2.72Å
898W91Very high86.2Confident70 Ų7052.9 Ų52.927%0.26528%0.279SS..Hα-helixtrans-59-38.3178.8-177.291.3000112.9K864 A867 L880 L883 A894 D895 M902K864-W898 HydrophobicContact CB-CH2 4.14Å; K864-W898 HydrophobicContact CB-CZ2 3.93Å; K864-W898 HydrophobicContact CD-CD2 4.28Å; K864-W898 HydrophobicContact CD-CZ2 4.21Å; K864-W898 HydrophobicContact CG-CD2 4.43Å; K864-W898 HydrophobicContact CG-CE3 4.46Å; K864-W898 HydrophobicContact CG-CH2 3.87Å; K864-W898 HydrophobicContact CG-CZ2 3.81Å; K864-W898 HydrophobicContact CG-CZ3 4.22Å; A867-W898 HydrophobicContact CB-CH2 4.03Å; L880-W898 HydrophobicContact CD2-CZ3 4.28Å; L883-W898 HydrophobicContact CD1-CH2 4.05Å; L883-W898 HydrophobicContact CD1-CZ3 3.63Å; A894-W898 WeakPolarHBondContact O-CB 3.43Å; A894-W898 PolarHBondContact O-N 3.15Å; D895-W898 PolarHBondContact O-N 3.31Å; W898-M902 HydrophobicContact CH2-CE 3.31Å; W898-M902 HydrophobicContact CH2-SD 4.15Å; W898-M902 HydrophobicContact CZ2-CE 3.59Å; W898-M902 HydrophobicContact CZ3-CE 3.95Å; W898-M902 HydrophobicContact CZ3-SD 4.25Å; W898-M902 WeakPolarHBondContact O-CB 3.34Å; W898-M902 PolarHBondContact O-N 2.71Å
899L90.8Very high86.2Confident2 Ų249.4 Ų49.41%0.0127%0.268CS..Hα-helixtrans-65.6-41.1174-73.6172.2000112.6L880 L883 V884 T887 D895 L896 Q897 M902 V903 I915L880-L899 HydrophobicContact CD2-CD2 3.64Å; L883-L899 HydrophobicContact CB-CD2 4.28Å; V884-L899 HydrophobicContact CG2-CD1 4.16Å; T887-L899 HydrophobicContact CG2-CD1 3.9Å; D895-L899 WeakPolarHBondContact O-CG 3.49Å; D895-L899 PolarHBondContact O-N 2.85Å; L896-L899 PolarHBondContact O-N 3.47Å; Q897-L899 VanDerWaalsContact C-N 3.31Å; Q897-L899 PolarHBondContact O-N 2.88Å; L899-M902 PolarHBondContact O-N 3.49Å; L899-V903 WeakPolarHBondContact O-CG2 3.46Å; L899-V903 PolarHBondContact O-N 3.27Å; L899-I915 HydrophobicContact CB-CG2 4.46Å; L899-I915 HydrophobicContact CD2-CG2 4.38Å
900L89.3Confident86.4Confident2 Ų248.2 Ų48.21%0.0126%0.255CS..Hα-helixtrans-68.8-37.6177.2-67.4171.3000112L896 Q897 M902 V903 Q904 L938 L942 L945L896-L900 WeakPolarHBondContact O-CG 3.3Å; L896-L900 PolarHBondContact O-N 2.92Å; L896-L900 VanDerWaalsContact O-N 3.12Å; Q897-L900 PolarHBondContact O-N 3.42Å; Q897-L900 VanDerWaalsContact O-N 3.11Å; L900-M902 VanDerWaalsContact C-N 3.34Å; L900-V903 PolarHBondContact O-N 2.95Å; L900-Q904 PolarHBondContact O-N 3.31Å; L900-Q904 VanDerWaalsContact O-N 3.16Å; L900-L938 HydrophobicContact CD1-CD1 3.44Å; L900-L938 VanDerWaalsContact CD1-CD1 3.44Å; L900-L942 HydrophobicContact CD2-CD2 3.97Å; L900-L945 HydrophobicContact CD2-CD1 4.18Å
901D90Very high86.9Confident69 Ų6944.1 Ų44.137%0.36924%0.236SC..Hα-helixtrans-68.5-35176-62-14.1000110.9Q897 Q904 S905 Q941Q897-D901 PolarHBondContact NE2-OD1 2.88Å; Q897-D901 PolarHBondContact NE2-OD2 2.79Å; Q897-D901 PolarHBondContact O-N 2.72Å; D901-Q904 PolarHBondContact O-N 2.95Å; D901-S905 WeakPolarHBondContact O-CB 3.42Å; D901-S905 PolarHBondContact O-N 2.93Å; D901-S905 PolarHBondContact O-OG 3.36Å; D901-Q941 PolarHBondContact OD1-NE2 3.15Å
902M89.3Confident87.4Confident20 Ų2038.8 Ų38.810%0.09922%0.216CC..Hα-helixtrans-64.3-44.8170.2-178.1170.7-78.500112.1L880 W898 L899 L900 Q904 S905 D906 I915L880-M902 HydrophobicContact CD1-SD 4.28Å; L880-M902 HydrophobicContact CD2-SD 3.78Å; W898-M902 HydrophobicContact CH2-CE 3.31Å; W898-M902 HydrophobicContact CH2-SD 4.15Å; W898-M902 HydrophobicContact CZ2-CE 3.59Å; W898-M902 HydrophobicContact CZ3-CE 3.95Å; W898-M902 HydrophobicContact CZ3-SD 4.25Å; W898-M902 WeakPolarHBondContact O-CB 3.34Å; W898-M902 PolarHBondContact O-N 2.71Å; L899-M902 PolarHBondContact O-N 3.49Å; L900-M902 VanDerWaalsContact C-N 3.34Å; M902-Q904 PolarHBondContact O-N 3.23Å; M902-Q904 VanDerWaalsContact O-N 3.16Å; M902-S905 PolarHBondContact O-N 2.94Å; M902-S905 VanDerWaalsContact O-N 3.09Å; M902-D906 HydrophobicContact CG-CB 4.11Å; M902-D906 WeakPolarHBondContact O-CB 3.37Å; M902-D906 PolarHBondContact O-N 3.42Å; M902-I915 HydrophobicContact CG-CD1 3.96Å; M902-I915 HydrophobicContact SD-CD1 3.98Å
903V88.3Confident87.7Confident4 Ų437.9 Ų37.92%0.02421%0.208CC..Hα-helixtrans-57.2-29.9174.81660000112.2L899 L900 R912 I915 L916L899-V903 WeakPolarHBondContact O-CG2 3.46Å; L899-V903 PolarHBondContact O-N 3.27Å; L900-V903 PolarHBondContact O-N 2.95Å; V903-R912 VanDerWaalsContact O-CD 3.29Å; V903-R912 WeakPolarHBondContact O-CD 3.28Å; V903-R912 WeakPolarHBondContact O-CG 3.37Å; V903-R912 PolarHBondContact O-NE 3.4Å; V903-R912 PolarHBondContact O-NH1 3.17Å; V903-I915 HydrophobicContact CG2-CB 3.7Å; V903-I915 HydrophobicContact CG2-CD1 3.98Å; V903-I915 HydrophobicContact CG2-CG1 4.46Å; V903-I915 HydrophobicContact CG2-CG2 3.48Å; V903-I915 VanDerWaalsContact CG2-CG2 3.48Å; V903-L916 HydrophobicContact CG1-CD1 3.88Å; V903-L916 HydrophobicContact CG1-CD2 4.13Å; V903-L916 HydrophobicContact CG1-CG 3.97Å; V903-L916 HydrophobicContact CG2-CD2 4.29Å; V903-L916 HydrophobicContact CG2-CG 4.14Å
904Q86.8Confident88Confident106 Ų10636.1 Ų36.150%0.49519%0.192SC..Hα-helixtrans-84.6-31.4176.1-170.1165.5-18.100113.7L900 D901 M902 R912 L945L900-Q904 PolarHBondContact O-N 3.31Å; L900-Q904 VanDerWaalsContact O-N 3.16Å; D901-Q904 PolarHBondContact O-N 2.95Å; M902-Q904 PolarHBondContact O-N 3.23Å; M902-Q904 VanDerWaalsContact O-N 3.16Å; Q904-R912 VanDerWaalsContact C-NH1 3.28Å; Q904-R912 VanDerWaalsContact O-CZ 3.28Å; Q904-R912 PolarHBondContact O-NH1 3.4Å; Q904-R912 PolarHBondContact O-NH2 2.86Å; Q904-L945 HydrophobicContact CB-CD2 4.23Å; Q904-L945 HydrophobicContact CG-CD2 4.45Å
905S86.6Confident88.1Confident89 Ų8933 Ų3362%0.62217%0.166SC*.Hα-helixtrans-102.3-35.6-169.156.10000116.1D901 M902 R912D901-S905 WeakPolarHBondContact O-CB 3.42Å; D901-S905 PolarHBondContact O-N 2.93Å; D901-S905 PolarHBondContact O-OG 3.36Å; M902-S905 PolarHBondContact O-N 2.94Å; M902-S905 VanDerWaalsContact O-N 3.09Å; S905-R912 PolarHBondContact O-NH2 3.06Å
906D87.1Confident88.2Confident10 Ų1032.6 Ų32.65%0.05316%0.164CC..  trans-60.4136.4-171.1-169.970.2000113.2R876 M902 V908 R912R876-D906 IonicContact CZ-OD1 2.77Å; R876-D906 VanDerWaalsContact CZ-OD1 3.29Å; R876-D906 IonicContact CZ-OD2 3.3Å; R876-D906 IonicContact NH1-OD1 3.03Å; R876-D906 PolarHBondContact NH1-OD1 3.12Å; R876-D906 IonicContact NH1-OD2 3.9Å; R876-D906 PolarHBondContact NH1-OD2 3.39Å; R876-D906 IonicContact NH2-OD1 2.67Å; R876-D906 PolarHBondContact NH2-OD1 3.21Å; R876-D906 IonicContact NH2-OD2 3.29Å; M902-D906 HydrophobicContact CG-CB 4.11Å; M902-D906 WeakPolarHBondContact O-CB 3.37Å; M902-D906 PolarHBondContact O-N 3.42Å; D906-V908 PolarHBondContact O-N 3.42Å; D906-V908 WeakPolarHBondContact OD2-CB 3.5Å; D906-V908 PolarHBondContact OD2-N 3.48Å; D906-R912 PolarHBondContact O-NE 3.32Å; D906-R912 PolarHBondContact O-NH2 2.89Å
907P83.7Confident88.2Confident54 Ų5432.4 Ų32.435%0.35117%0.165SC..SBendtrans-67.7-16.3-178.826.4-35.6000114.8H149 Y869H149-P907 PolarHBondContact CE1-O 2.92Å; Y869-P907 HydrophobicContact CD2-CG 3.47Å; Y869-P907 VanDerWaalsContact CD2-CG 3.47Å; Y869-P907 HydrophobicContact CE2-CB 4.49Å; Y869-P907 HydrophobicContact CE2-CG 3.35Å; Y869-P907 HydrophobicContact CG-CG 4.16Å
908V86.6Confident88.1Confident3 Ų329.6 Ų29.62%0.01815%0.152CC..  trans-98.4104.4-169.3-166.80000112.1E300 Y869 D906 Y910 V911 R912E300-V908 HydrophobicContact CB-CG1 4.34Å; E300-V908 HydrophobicContact CG-CG2 4.46Å; E300-V908 VanDerWaalsContact OE1-CG2 3.29Å; E300-V908 WeakPolarHBondContact OE1-CG2 3.44Å; Y869-V908 HydrophobicContact CD2-CG2 4.28Å; Y869-V908 HydrophobicContact CE2-CG2 4.13Å; D906-V908 PolarHBondContact O-N 3.42Å; D906-V908 WeakPolarHBondContact OD2-CB 3.5Å; D906-V908 PolarHBondContact OD2-N 3.48Å; V908-Y910 PolarHBondContact O-N 3.31Å; V908-Y910 VanDerWaalsContact O-N 3.16Å; V908-V911 HydrophobicContact CB-CB 4.19Å; V908-V911 HydrophobicContact CB-CG2 3.94Å; V908-V911 HydrophobicContact CG1-CB 4.48Å; V908-V911 HydrophobicContact CG1-CG2 3.91Å; V908-V911 PolarHBondContact O-N 3.09Å; V908-R912 PolarHBondContact O-N 3.05Å; V908-R912 VanDerWaalsContact O-N 3.15Å
909H84.9Confident87.9Confident25 Ų2526.4 Ų26.412%0.11614%0.14CC..Hα-helixtrans-55-35.4-179.8-56.873.9000113.8K145 F169 Y302 R912 H913 D953K145-H909 PolarHBondContact O-NE2 2.86Å; F169-H909 AromaticContact CZ-CD2 3.9Å; F169-H909 AromaticContact CZ-CE1 3.59Å; F169-H909 AromaticContact CZ-NE2 3.52Å; Y302-H909 HydrophobicContact CD2-CB 3.81Å; Y302-H909 HydrophobicContact CE2-CB 4.1Å; H909-R912 PolarHBondContact O-N 3.16Å; H909-H913 PolarHBondContact O-N 3.16Å; H909-D953 IonicContact CD2-OD2 3.61Å
910Y87.4Confident87.7Confident54 Ų5427.3 Ų27.321%0.21215%0.146CC..Hα-helixtrans-62.2-44176.5-173.9-89.6000112V873 V877 V908 H913 E914V873-Y910 HydrophobicContact CG1-CD1 3.87Å; V873-Y910 HydrophobicContact CG1-CE1 4.19Å; V877-Y910 HydrophobicContact CG2-CE1 4.33Å; V908-Y910 PolarHBondContact O-N 3.31Å; V908-Y910 VanDerWaalsContact O-N 3.16Å; Y910-H913 PolarHBondContact O-N 3.32Å; Y910-E914 HydrophobicContact CD1-CG 4.17Å; Y910-E914 HydrophobicContact CE1-CG 3.73Å; Y910-E914 PolarHBondContact O-N 2.99Å
911V89.2Confident87.5Confident0 Ų033 Ų330%017%0.17CC..Hα-helixtrans-67.1-42.6179178.10000110.5V873 L880 V908 H913 E914 I915V873-V911 HydrophobicContact CG1-CG2 4.3Å; L880-V911 HydrophobicContact CD1-CG1 3.43Å; L880-V911 VanDerWaalsContact CD1-CG1 3.43Å; V908-V911 HydrophobicContact CB-CB 4.19Å; V908-V911 HydrophobicContact CB-CG2 3.94Å; V908-V911 HydrophobicContact CG1-CB 4.48Å; V908-V911 HydrophobicContact CG1-CG2 3.91Å; V908-V911 PolarHBondContact O-N 3.09Å; V911-H913 VanDerWaalsContact C-N 3.28Å; V911-H913 PolarHBondContact O-N 2.85Å; V911-E914 PolarHBondContact O-N 3.12Å; V911-I915 HydrophobicContact CG1-CD1 4.14Å; V911-I915 WeakPolarHBondContact O-CG1 3.4Å; V911-I915 PolarHBondContact O-N 3.36Å
912R89.8Confident87.2Confident42 Ų4231.9 Ų31.916%0.15817%0.165CC..Hα-helixtrans-55.4-42173.3-63179.2179.2-126.41.4112.4V903 Q904 S905 D906 V908 H909 L916 L956V903-R912 VanDerWaalsContact O-CD 3.29Å; V903-R912 WeakPolarHBondContact O-CD 3.28Å; V903-R912 WeakPolarHBondContact O-CG 3.37Å; V903-R912 PolarHBondContact O-NE 3.4Å; V903-R912 PolarHBondContact O-NH1 3.17Å; Q904-R912 VanDerWaalsContact C-NH1 3.28Å; Q904-R912 VanDerWaalsContact O-CZ 3.28Å; Q904-R912 PolarHBondContact O-NH1 3.4Å; Q904-R912 PolarHBondContact O-NH2 2.86Å; S905-R912 PolarHBondContact O-NH2 3.06Å; D906-R912 PolarHBondContact O-NE 3.32Å; D906-R912 PolarHBondContact O-NH2 2.89Å; V908-R912 PolarHBondContact O-N 3.05Å; V908-R912 VanDerWaalsContact O-N 3.15Å; H909-R912 PolarHBondContact O-N 3.16Å; R912-L916 PolarHBondContact O-N 2.94Å; R912-L956 HydrophobicContact CB-CD1 3.92Å; R912-L956 HydrophobicContact CB-CD2 3.61Å; R912-L956 HydrophobicContact CB-CG 4.45Å; R912-L956 HydrophobicContact CG-CD1 4.49Å
913H88.7Confident87Confident10 Ų1032.1 Ų32.15%0.04617%0.168CC..Hα-helixtrans-65.9-50.8178.3169.273.8000111.4W432 H909 Y910 V911 I915 L916 G917 R955 L956 D959W432-H913 AromaticContact CD1-CE1 3.7Å; W432-H913 AromaticContact CD1-NE2 3.42Å; W432-H913 AromaticContact CG-CE1 3.91Å; H909-H913 PolarHBondContact O-N 3.16Å; Y910-H913 PolarHBondContact O-N 3.32Å; V911-H913 VanDerWaalsContact C-N 3.28Å; V911-H913 PolarHBondContact O-N 2.85Å; H913-I915 VanDerWaalsContact C-N 3.28Å; H913-I915 PolarHBondContact O-N 2.89Å; H913-L916 PolarHBondContact O-N 3.11Å; H913-L916 VanDerWaalsContact O-N 3.15Å; H913-G917 PolarHBondContact O-N 3.05Å; H913-R955 VanDerWaalsContact CD2-CZ 3.48Å; H913-R955 PolarHBondContact CD2-NE 3.05Å; H913-R955 PolarHBondContact CD2-NH2 3Å; H913-R955 PolarHBondContact CE1-NE 3Å; H913-R955 VanDerWaalsContact CE1-NE 3.35Å; H913-R955 PolarHBondContact ND1-NE 2.97Å; H913-R955 VanDerWaalsContact ND1-NE 3.17Å; H913-R955 PolarHBondContact NE2-NE 3.34Å; H913-R955 PolarHBondContact NE2-NH2 2.98Å; H913-L956 VanDerWaalsContact CA-CD2 3.5Å; H913-L956 HydrophobicContact CB-CD2 3.89Å; H913-L956 VanDerWaalsContact N-CD2 3.31Å; H913-D959 IonicContact CE1-OD1 3.37Å; H913-D959 IonicContact CE1-OD2 3.49Å; H913-D959 PolarHBondContact CE1-OD2 3.09Å; H913-D959 IonicContact CG-OD2 3.42Å; H913-D959 VanDerWaalsContact ND1-CG 3.35Å; H913-D959 IonicContact ND1-OD1 3.12Å; H913-D959 IonicContact ND1-OD2 2.96Å; H913-D959 PolarHBondContact ND1-OD2 3.29Å
914E88.1Confident86.7Confident35 Ų3532.2 Ų32.216%0.16417%0.169CC..Hα-helixtrans-61.6-37-178.6-67.2-56.6147.900111.3V877 Y910 V911 L916 G917 M918V877-E914 HydrophobicContact CG1-CB 4.5Å; V877-E914 HydrophobicContact CG2-CB 4.44Å; V877-E914 HydrophobicContact CG2-CG 4.44Å; Y910-E914 HydrophobicContact CD1-CG 4.17Å; Y910-E914 HydrophobicContact CE1-CG 3.73Å; Y910-E914 PolarHBondContact O-N 2.99Å; V911-E914 PolarHBondContact O-N 3.12Å; E914-L916 PolarHBondContact O-N 3.33Å; E914-G917 PolarHBondContact O-N 3.06Å; E914-M918 HydrophobicContact CB-CE 4.16Å; E914-M918 WeakPolarHBondContact O-CB 3.34Å; E914-M918 WeakPolarHBondContact O-CE 3.07Å; E914-M918 WeakPolarHBondContact O-CG 3.1Å; E914-M918 PolarHBondContact O-N 2.63Å
915I90.6Very high86.4Confident1 Ų127.8 Ų27.81%0.00515%0.148CC..Hα-helixtrans-57.1-50.5173.7-63.6163.6000111.2L880 L899 M902 V903 V911 H913 L919L880-I915 HydrophobicContact CB-CG1 4.35Å; L880-I915 HydrophobicContact CD1-CD1 3.87Å; L880-I915 HydrophobicContact CD1-CG1 3.79Å; L880-I915 HydrophobicContact CD2-CD1 4.07Å; L880-I915 HydrophobicContact CD2-CG1 4.08Å; L880-I915 HydrophobicContact CG-CG1 4.29Å; L899-I915 HydrophobicContact CB-CG2 4.46Å; L899-I915 HydrophobicContact CD2-CG2 4.38Å; M902-I915 HydrophobicContact CG-CD1 3.96Å; M902-I915 HydrophobicContact SD-CD1 3.98Å; V903-I915 HydrophobicContact CG2-CB 3.7Å; V903-I915 HydrophobicContact CG2-CD1 3.98Å; V903-I915 HydrophobicContact CG2-CG1 4.46Å; V903-I915 HydrophobicContact CG2-CG2 3.48Å; V903-I915 VanDerWaalsContact CG2-CG2 3.48Å; V911-I915 HydrophobicContact CG1-CD1 4.14Å; V911-I915 WeakPolarHBondContact O-CG1 3.4Å; V911-I915 PolarHBondContact O-N 3.36Å; H913-I915 VanDerWaalsContact C-N 3.28Å; H913-I915 PolarHBondContact O-N 2.89Å; I915-L919 VanDerWaalsContact O-CB 3.27Å; I915-L919 WeakPolarHBondContact O-CB 3.28Å; I915-L919 PolarHBondContact O-N 2.9Å
916L88.6Confident85.9Confident2 Ų227.1 Ų27.11%0.0114%0.14CC..Hα-helixtrans-66.4-41.9179.9-68.5173.7000111.9V903 R912 H913 E914 L919 C920 L956 D959 A960 L963V903-L916 HydrophobicContact CG1-CD1 3.88Å; V903-L916 HydrophobicContact CG1-CD2 4.13Å; V903-L916 HydrophobicContact CG1-CG 3.97Å; V903-L916 HydrophobicContact CG2-CD2 4.29Å; V903-L916 HydrophobicContact CG2-CG 4.14Å; R912-L916 PolarHBondContact O-N 2.94Å; H913-L916 PolarHBondContact O-N 3.11Å; H913-L916 VanDerWaalsContact O-N 3.15Å; E914-L916 PolarHBondContact O-N 3.33Å; L916-L919 PolarHBondContact O-N 2.93Å; L916-C920 PolarHBondContact O-N 3.13Å; L916-C920 PolarHBondContact O-SG 2.93Å; L916-L956 HydrophobicContact CD1-CD2 4.29Å; L916-D959 HydrophobicContact CB-CB 3.63Å; L916-D959 HydrophobicContact CD1-CB 3.86Å; L916-D959 HydrophobicContact CG-CB 4.4Å; L916-A960 HydrophobicContact CD1-CB 4.47Å; L916-L963 HydrophobicContact CD2-CD2 3.86Å
917G86Confident85Confident7 Ų733.1 Ų33.17%0.07217%0.165CC..Hα-helixtrans-65-40.7177.400000113.2H913 E914 C920 K921H913-G917 PolarHBondContact O-N 3.05Å; E914-G917 PolarHBondContact O-N 3.06Å; G917-C920 PolarHBondContact O-N 3.43Å; G917-K921 WeakPolarHBondContact O-CD 3.26Å; G917-K921 WeakPolarHBondContact O-CG 3.26Å; G917-K921 PolarHBondContact O-N 3.49Å; G917-K921 VanDerWaalsContact O-N 3.12Å
918M87.1Confident84Confident17 Ų1736 Ų368%0.08419%0.187CC..Hα-helixtrans-65.2-42.3173.1-72.5-175.1-67.300111.5L880 E881 V884 E914 C920 K921 N922L880-M918 HydrophobicContact CB-CE 3.73Å; E881-M918 VanDerWaalsContact CA-SD 3.54Å; E881-M918 HydrophobicContact CB-SD 3.96Å; E881-M918 HydrophobicContact CG-SD 3.32Å; E881-M918 WeakPolarHBondContact CG-SD 3.46Å; V884-M918 HydrophobicContact CB-CB 4.47Å; V884-M918 HydrophobicContact CG1-CB 4.35Å; V884-M918 HydrophobicContact CG2-CB 4.12Å; E914-M918 HydrophobicContact CB-CE 4.16Å; E914-M918 WeakPolarHBondContact O-CB 3.34Å; E914-M918 WeakPolarHBondContact O-CE 3.07Å; E914-M918 WeakPolarHBondContact O-CG 3.1Å; E914-M918 PolarHBondContact O-N 2.63Å; M918-C920 VanDerWaalsContact C-N 3.27Å; M918-C920 PolarHBondContact O-N 2.73Å; M918-K921 PolarHBondContact O-N 3.36Å; M918-K921 VanDerWaalsContact O-N 3.14Å; M918-N922 PolarHBondContact O-N 3.34Å
919L87.8Confident83Confident2 Ų237.6 Ų37.61%0.0120%0.2CC..Hα-helixtrans-69.2-25.1177.8-162.365.4000112.4V884 L896 I915 L916 P923 P924 L963V884-L919 HydrophobicContact CG1-CD1 4.02Å; V884-L919 HydrophobicContact CG2-CD1 4.44Å; L896-L919 HydrophobicContact CD1-CD1 4.29Å; L896-L919 HydrophobicContact CD1-CD2 4.02Å; I915-L919 VanDerWaalsContact O-CB 3.27Å; I915-L919 WeakPolarHBondContact O-CB 3.28Å; I915-L919 PolarHBondContact O-N 2.9Å; L916-L919 PolarHBondContact O-N 2.93Å; L919-P923 VanDerWaalsContact O-CA 3.25Å; L919-P923 WeakPolarHBondContact O-CA 3.21Å; L919-P924 HydrophobicContact CD1-CG 4.3Å; L919-L963 HydrophobicContact CB-CD1 4.21Å; L919-L963 HydrophobicContact CD2-CD1 3.88Å; L919-L963 HydrophobicContact CD2-CD2 3.76Å; L919-L963 HydrophobicContact CD2-CG 4.5Å; L919-L963 HydrophobicContact CG-CD1 3.76Å
920C85.8Confident81.7Confident22 Ų2244.1 Ų44.115%0.14924%0.236CC..Hα-helixtrans-71.5-37.8168-67.70000112.8L916 G917 M918 L963L916-C920 PolarHBondContact O-N 3.13Å; L916-C920 PolarHBondContact O-SG 2.93Å; G917-C920 PolarHBondContact O-N 3.43Å; M918-C920 VanDerWaalsContact C-N 3.27Å; M918-C920 PolarHBondContact O-N 2.73Å; C920-L963 VanDerWaalsContact SG-CA 3.6Å; C920-L963 PolarHBondContact SG-N 3.41Å; C920-L963 VanDerWaalsContact SG-N 3.37Å
921K84.6Confident80.6Confident120 Ų12042.5 Ų42.552%0.52223%0.232SC..Hα-helixtrans-76.8-38.7-179.9-71.8163.2-175.4163.30113E433 G917 M918 P923E433-K921 WeakPolarHBondContact OE1-CE 3.4Å; E433-K921 IonicContact OE1-NZ 3.95Å; E433-K921 PolarHBondContact OE1-NZ 2.56Å; G917-K921 WeakPolarHBondContact O-CD 3.26Å; G917-K921 WeakPolarHBondContact O-CG 3.26Å; G917-K921 PolarHBondContact O-N 3.49Å; G917-K921 VanDerWaalsContact O-N 3.12Å; M918-K921 PolarHBondContact O-N 3.36Å; M918-K921 VanDerWaalsContact O-N 3.14Å; K921-P923 VanDerWaalsContact C-CD 3.41Å; K921-P923 WeakPolarHBondContact O-CD 3.35Å
922N84.8Confident79.2Confident47 Ų4745.7 Ų45.725%0.25127%0.266SS..SBendtrans-120.967.3179.8-71.3-42.4000109.8V884 R888 M918V884-N922 HydrophobicContact CG1-CB 3.92Å; R888-N922 PolarHBondContact NH1-OD1 3.38Å; R888-N922 PolarHBondContact NH2-OD1 3.24Å; R888-N922 VanDerWaalsContact NH2-OD1 3.14Å; M918-N922 PolarHBondContact O-N 3.34Å
923P84.1Confident78.3Confident25 Ų2544 Ų4416%0.16226%0.26CS..  trans-65.8143.9-17729-36.3000111.6R888 L919 K921 F925 T966 L967R888-P923 WeakPolarHBondContact CD-O 3.27Å; L919-P923 VanDerWaalsContact O-CA 3.25Å; L919-P923 WeakPolarHBondContact O-CA 3.21Å; K921-P923 VanDerWaalsContact C-CD 3.41Å; K921-P923 WeakPolarHBondContact O-CD 3.35Å; P923-F925 VanDerWaalsContact C-N 3.33Å; P923-F925 PolarHBondContact O-N 2.93Å; P923-T966 HydrophobicContact CB-CG2 3.76Å; P923-T966 HydrophobicContact CG-CG2 3.8Å; P923-L967 HydrophobicContact CB-CD2 4.23Å
924P81.8Confident77.5Confident6 Ų644.7 Ų44.74%0.03927%0.265CS..SBendtrans-73.3-24.9-176.329-35.8000113.3L896 L919 L933 L967L896-P924 HydrophobicContact CD1-CG 4.36Å; L896-P924 HydrophobicContact CD2-CG 4.31Å; L919-P924 HydrophobicContact CD1-CG 4.3Å; P924-L933 HydrophobicContact CB-CD1 4.02Å; P924-L967 HydrophobicContact CG-CD2 4.45Å
925F80.5Confident77Confident13 Ų1346.6 Ų46.66%0.05728%0.277CS..SBendtrans-143.6158.1168.760.8-91.4000109.6P923 S931 L933 L938 L967 F968P923-F925 VanDerWaalsContact C-N 3.33Å; P923-F925 PolarHBondContact O-N 2.93Å; F925-S931 WeakPolarHBondContact CB-OG 3.17Å; F925-L933 HydrophobicContact CD1-CB 3.71Å; F925-L933 HydrophobicContact CD1-CD1 4.23Å; F925-L933 HydrophobicContact CE1-CB 3.89Å; F925-L938 HydrophobicContact CE1-CD2 3.93Å; F925-L938 HydrophobicContact CZ-CD2 4.18Å; F925-L967 HydrophobicContact CD1-CD2 4.24Å; F925-L967 HydrophobicContact CD2-CD2 4.15Å; F925-L967 HydrophobicContact CE1-CD1 4.45Å; F925-L967 HydrophobicContact CE1-CD2 3.99Å; F925-L967 HydrophobicContact CE2-CB 3.97Å; F925-L967 HydrophobicContact CE2-CD2 3.89Å; F925-L967 HydrophobicContact CE2-CG 4.4Å; F925-L967 HydrophobicContact CG-CD2 4.32Å; F925-L967 HydrophobicContact CZ-CB 4.08Å; F925-L967 HydrophobicContact CZ-CD1 4.11Å; F925-L967 HydrophobicContact CZ-CD2 3.81Å; F925-L967 HydrophobicContact CZ-CG 4.21Å; F925-F968 HydrophobicContact CE2-CE1 4Å; F925-F968 AromaticContact CZ-CE1 3.93Å; F925-F968 HydrophobicContact CZ-CE1 3.93Å; F925-F968 HydrophobicContact CZ-CZ 4.06Å
926T75.8Confident76.4Confident74 Ų7451.5 Ų51.545%0.45430%0.3SS..  trans-104.6157.3175.658.60000110.6S928 A929T926-S928 PolarHBondContact O-N 2.98Å; T926-A929 PolarHBondContact O-N 2.91Å
927K68.6Low76.1Confident136 Ų13654.8 Ų54.859%0.59133%0.327SS*.THydrogen-bonded Turntrans-49-28.3179.9-172-172.1177.3-166.30114.9L967 F968K927-L967 WeakPolarHBondContact CA-O 3.4Å; K927-F968 WeakPolarHBondContact CE-O 3.47Å
928S63.2Low76Confident115 Ų11555.2 Ų55.280%0.80433%0.328SS*.THydrogen-bonded Turntrans-98-1.4-179.161.10000114.6T926T926-S928 PolarHBondContact O-N 2.98Å
929A64.9Low75.8Confident36 Ų3654.4 Ų54.430%0.29832%0.324SS..  trans-102.4104.6-177.900000110.5T926 S931T926-A929 PolarHBondContact O-N 2.91Å; A929-S931 PolarHBondContact O-N 2.91Å; A929-S931 PolarHBondContact O-OG 3.18Å
930D58.2Low75.6Confident163 Ų16356.3 Ų56.387%0.87233%0.334SS*.  trans-62.7130.4169.9-1635.7000109.8
931S63.6Low75.5Confident19 Ų1956.4 Ų56.413%0.13333%0.332CS..  trans-161.8142.4-169.260.70000112.6F925 A929 L933 C934F925-S931 WeakPolarHBondContact CB-OG 3.17Å; A929-S931 PolarHBondContact O-N 2.91Å; A929-S931 PolarHBondContact O-OG 3.18Å; S931-L933 PolarHBondContact O-N 3.44Å; S931-C934 WeakPolarHBondContact O-CB 3.25Å; S931-C934 PolarHBondContact O-N 3.41Å
932G61.7Low75.5Confident68 Ų6850.8 Ų50.870%0.70131%0.307SS*.THydrogen-bonded Turntrans-65.66.6177.700000115.9N935G932-N935 PolarHBondContact O-ND2 3.01Å
933L69.8Low75.5Confident6 Ų649.1 Ų49.13%0.03130%0.298CS..THydrogen-bonded Turntrans-90.2-17.7167.8-69.8179.7000112.7R891 L896 P924 F925 S931 N935 L938R891-L933 HydrophobicContact CB-CD1 4.09Å; R891-L933 WeakPolarHBondContact O-CD2 3.13Å; L896-L933 HydrophobicContact CD2-CD2 4.34Å; P924-L933 HydrophobicContact CB-CD1 4.02Å; F925-L933 HydrophobicContact CD1-CB 3.71Å; F925-L933 HydrophobicContact CD1-CD1 4.23Å; F925-L933 HydrophobicContact CE1-CB 3.89Å; S931-L933 PolarHBondContact O-N 3.44Å; L933-N935 PolarHBondContact O-N 2.83Å; L933-L938 VanDerWaalsContact O-CD2 3.25Å; L933-L938 WeakPolarHBondContact O-CD2 3.22Å
934C72.6Confident75.5Confident24 Ų2453 Ų5316%0.16231%0.312CS..  trans-78.254.1-175.4-162.60000112.6S931 C975S931-C934 WeakPolarHBondContact O-CB 3.25Å; S931-C934 PolarHBondContact O-N 3.41Å; C934-C975 WeakPolarHBondContact O-CB 3.34Å; C934-C975 PolarHBondContact O-SG 2.74Å
935N78Confident75.6Confident76 Ų7653 Ų5341%0.40631%0.312SS..  trans-89.8147.9-171-63.1-51.1000112.7G932 L933 A937 L938 V939G932-N935 PolarHBondContact O-ND2 3.01Å; L933-N935 PolarHBondContact O-N 2.83Å; N935-A937 PolarHBondContact O-N 2.9Å; N935-L938 WeakPolarHBondContact O-CB 3.38Å; N935-L938 PolarHBondContact O-N 3.18Å; N935-V939 PolarHBondContact O-N 2.88Å
936E77.7Confident75.7Confident104 Ų10452.4 Ų52.449%0.48631%0.309SS..Hα-helixtrans-53.1-42.1174.1-70.9-172.2-15500112.1L938 V939 D940 C975 L976 P977E936-L938 VanDerWaalsContact C-N 3.3Å; E936-L938 PolarHBondContact O-N 2.89Å; E936-V939 PolarHBondContact O-N 2.87Å; E936-D940 WeakPolarHBondContact O-CB 3.49Å; E936-D940 PolarHBondContact O-N 3.5Å; E936-C975 VanDerWaalsContact CG-O 3.24Å; E936-C975 WeakPolarHBondContact CG-O 3.38Å; E936-L976 HydrophobicContact CG-CD2 4.48Å; E936-P977 WeakPolarHBondContact OE1-CD 3.31Å
937A82.1Confident75.9Confident70 Ų7049 Ų4958%0.57929%0.288SS*.Hα-helixtrans-59.5-36.2178.700000113.4N935 D940 Q941N935-A937 PolarHBondContact O-N 2.9Å; A937-D940 WeakPolarHBondContact O-CB 3.29Å; A937-D940 PolarHBondContact O-N 2.98Å; A937-Q941 PolarHBondContact O-N 2.85Å
938L83.6Confident76.1Confident17 Ų1745.6 Ų45.69%0.08928%0.281CS..Hα-helixtrans-68.8-43176.5176.662.9000110.8L896 L900 F925 L933 N935 E936 D940 Q941 L942L896-L938 HydrophobicContact CD2-CD1 4.33Å; L896-L938 HydrophobicContact CD2-CD2 4.07Å; L900-L938 HydrophobicContact CD1-CD1 3.44Å; L900-L938 VanDerWaalsContact CD1-CD1 3.44Å; F925-L938 HydrophobicContact CE1-CD2 3.93Å; F925-L938 HydrophobicContact CZ-CD2 4.18Å; L933-L938 VanDerWaalsContact O-CD2 3.25Å; L933-L938 WeakPolarHBondContact O-CD2 3.22Å; N935-L938 WeakPolarHBondContact O-CB 3.38Å; N935-L938 PolarHBondContact O-N 3.18Å; E936-L938 VanDerWaalsContact C-N 3.3Å; E936-L938 PolarHBondContact O-N 2.89Å; L938-D940 VanDerWaalsContact C-N 3.29Å; L938-D940 PolarHBondContact O-N 3.48Å; L938-Q941 PolarHBondContact O-N 2.68Å; L938-L942 HydrophobicContact CD1-CD1 4.01Å; L938-L942 HydrophobicContact CD1-CG 4.19Å; L938-L942 HydrophobicContact CG-CD1 4Å; L938-L942 WeakPolarHBondContact O-CB 3.44Å; L938-L942 VanDerWaalsContact O-CG 3.31Å; L938-L942 WeakPolarHBondContact O-CG 3.38Å; L938-L942 PolarHBondContact O-N 3.03Å
939V82.6Confident76.3Confident0 Ų041.6 Ų41.60%026%0.258CS..Hα-helixtrans-62.8-39173.6179.40000110.8N935 E936 W943 Y964 F968 P973 L976N935-V939 PolarHBondContact O-N 2.88Å; E936-V939 PolarHBondContact O-N 2.87Å; V939-W943 VanDerWaalsContact O-CB 3.23Å; V939-W943 WeakPolarHBondContact O-CB 3.32Å; V939-W943 PolarHBondContact O-N 2.94Å; V939-Y964 HydrophobicContact CG1-CE2 4.23Å; V939-F968 HydrophobicContact CG2-CE1 4Å; V939-F968 HydrophobicContact CG2-CE2 4.06Å; V939-F968 HydrophobicContact CG2-CZ 3.62Å; V939-P973 HydrophobicContact CG1-CG 4.05Å; V939-P973 HydrophobicContact CG2-CB 4.15Å; V939-P973 HydrophobicContact CG2-CG 4.18Å; V939-L976 HydrophobicContact CB-CD2 4.28Å; V939-L976 HydrophobicContact CG1-CD1 4.01Å; V939-L976 HydrophobicContact CG1-CD2 3.97Å; V939-L976 HydrophobicContact CG1-CG 4.17Å
940D82.9Confident76.7Confident41 Ų4140.4 Ų40.422%0.21925%0.247CC..Hα-helixtrans-60.4-47.7174.4-115.975.9000112.4R90 E936 A937 L938 K944R90-D940 IonicContact CZ-OD1 3.79Å; R90-D940 IonicContact NH1-OD1 2.73Å; R90-D940 PolarHBondContact NH1-OD1 3.02Å; R90-D940 IonicContact NH2-OD1 2.63Å; R90-D940 PolarHBondContact NH2-OD1 2.9Å; R90-D940 IonicContact NH2-OD2 2.68Å; R90-D940 PolarHBondContact NH2-OD2 2.79Å; E936-D940 WeakPolarHBondContact O-CB 3.49Å; E936-D940 PolarHBondContact O-N 3.5Å; A937-D940 WeakPolarHBondContact O-CB 3.29Å; A937-D940 PolarHBondContact O-N 2.98Å; L938-D940 VanDerWaalsContact C-N 3.29Å; L938-D940 PolarHBondContact O-N 3.48Å; D940-K944 WeakPolarHBondContact O-CD 3.2Å; D940-K944 VanDerWaalsContact O-CG 3.22Å; D940-K944 WeakPolarHBondContact O-CG 3.35Å; D940-K944 PolarHBondContact O-N 2.92Å; D940-K944 VanDerWaalsContact OD2-CE 3.24Å; D940-K944 WeakPolarHBondContact OD2-CE 3.42Å; D940-K944 IonicContact OD2-NZ 2.67Å; D940-K944 PolarHBondContact OD2-NZ 3.39Å
941Q84.3Confident77.3Confident25 Ų2532.7 Ų32.712%0.11721%0.207CC..Hα-helixtrans-68-46.7179.4-174.1172.412.200111.5D901 A937 L938 W943 K944 L945D901-Q941 PolarHBondContact OD1-NE2 3.15Å; A937-Q941 PolarHBondContact O-N 2.85Å; L938-Q941 PolarHBondContact O-N 2.68Å; Q941-W943 VanDerWaalsContact C-N 3.32Å; Q941-W943 PolarHBondContact O-N 3Å; Q941-K944 PolarHBondContact O-N 3.41Å; Q941-K944 VanDerWaalsContact O-N 3.14Å; Q941-L945 HydrophobicContact CG-CD1 4.13Å; Q941-L945 HydrophobicContact CG-CG 4.45Å; Q941-L945 WeakPolarHBondContact O-CG 3.4Å; Q941-L945 PolarHBondContact O-N 2.86Å
942L84.5Confident77.8Confident1 Ų133.9 Ų33.91%0.00521%0.21CC..Hα-helixtrans-60.1-41.6176.9-69.6171.3000111.4L900 L938 K944 L945 M946 L963 Y964 L967 F968L900-L942 HydrophobicContact CD2-CD2 3.97Å; L938-L942 HydrophobicContact CD1-CD1 4.01Å; L938-L942 HydrophobicContact CD1-CG 4.19Å; L938-L942 HydrophobicContact CG-CD1 4Å; L938-L942 WeakPolarHBondContact O-CB 3.44Å; L938-L942 VanDerWaalsContact O-CG 3.31Å; L938-L942 WeakPolarHBondContact O-CG 3.38Å; L938-L942 PolarHBondContact O-N 3.03Å; L942-K944 PolarHBondContact O-N 2.88Å; L942-L945 HydrophobicContact CD2-CD1 4.45Å; L942-L945 PolarHBondContact O-N 3.17Å; L942-M946 WeakPolarHBondContact O-CB 3.37Å; L942-M946 WeakPolarHBondContact O-CG 3.42Å; L942-M946 PolarHBondContact O-N 2.86Å; L942-L963 HydrophobicContact CD2-CD2 3.67Å; L942-L963 HydrophobicContact CD2-CG 4.38Å; L942-Y964 HydrophobicContact CB-CD2 4.29Å; L942-L967 HydrophobicContact CD1-CD1 3.95Å; L942-F968 HydrophobicContact CD1-CE2 3.93Å; L942-F968 HydrophobicContact CD1-CZ 4.49Å
943W84.4Confident78.7Confident13 Ų1331.1 Ų31.15%0.04918%0.179CC..Hα-helixtrans-65.3-36.2175.6-163.3-99000112.7C83 R90 F95 V939 Q941 M946 N947 Y964C83-W943 HydrophobicContact CB-CZ2 3.83Å; R90-W943 HydrophobicContact CB-CD2 4.41Å; R90-W943 HydrophobicContact CB-CE3 4.26Å; R90-W943 HydrophobicContact CB-CH2 4.31Å; R90-W943 HydrophobicContact CB-CZ2 4.47Å; R90-W943 HydrophobicContact CB-CZ3 4.21Å; R90-W943 HydrophobicContact CG-CD2 3.87Å; R90-W943 HydrophobicContact CG-CE3 4.22Å; R90-W943 HydrophobicContact CG-CG 4.23Å; R90-W943 HydrophobicContact CG-CH2 4.48Å; R90-W943 HydrophobicContact CG-CZ2 4.17Å; F95-W943 HydrophobicContact CB-CH2 3.74Å; F95-W943 HydrophobicContact CB-CZ2 4.46Å; F95-W943 HydrophobicContact CB-CZ3 4.25Å; F95-W943 HydrophobicContact CD2-CH2 4.33Å; F95-W943 HydrophobicContact CD2-CZ2 4.42Å; F95-W943 HydrophobicContact CG-CH2 4.38Å; V939-W943 VanDerWaalsContact O-CB 3.23Å; V939-W943 WeakPolarHBondContact O-CB 3.32Å; V939-W943 PolarHBondContact O-N 2.94Å; Q941-W943 VanDerWaalsContact C-N 3.32Å; Q941-W943 PolarHBondContact O-N 3Å; W943-M946 HydrophobicContact CE3-CE 4.29Å; W943-M946 HydrophobicContact CE3-SD 4.29Å; W943-M946 HydrophobicContact CZ3-CE 4.3Å; W943-N947 PolarHBondContact NE1-ND2 3.4Å; W943-N947 WeakPolarHBondContact O-CB 3.37Å; W943-N947 PolarHBondContact O-N 2.94Å; W943-N947 VanDerWaalsContact O-N 3.12Å; W943-N947 PolarHBondContact O-ND2 3.46Å; W943-Y964 HydrophobicContact CE3-CE2 4.07Å
944K84.6Confident79.1Confident107 Ų10731.4 Ų31.447%0.46518%0.18SC..Hα-helixtrans-66.8-42.9173.1-72.4161.1-167.3160.10111.5D940 Q941 L942 N947 S948 G949D940-K944 WeakPolarHBondContact O-CD 3.2Å; D940-K944 VanDerWaalsContact O-CG 3.22Å; D940-K944 WeakPolarHBondContact O-CG 3.35Å; D940-K944 PolarHBondContact O-N 2.92Å; D940-K944 VanDerWaalsContact OD2-CE 3.24Å; D940-K944 WeakPolarHBondContact OD2-CE 3.42Å; D940-K944 IonicContact OD2-NZ 2.67Å; D940-K944 PolarHBondContact OD2-NZ 3.39Å; Q941-K944 PolarHBondContact O-N 3.41Å; Q941-K944 VanDerWaalsContact O-N 3.14Å; L942-K944 PolarHBondContact O-N 2.88Å; K944-N947 PolarHBondContact O-N 2.89Å; K944-S948 PolarHBondContact O-N 2.88Å; K944-S948 PolarHBondContact O-OG 3.35Å; K944-G949 PolarHBondContact O-N 2.91Å
945L84Confident79.8Confident5 Ų531 Ų313%0.02618%0.175CC..Iπ-helixtrans-60.4-45.5174.9-71.1169.4000111.6L900 Q904 Q941 L942 N947 T950L900-L945 HydrophobicContact CD2-CD1 4.18Å; Q904-L945 HydrophobicContact CB-CD2 4.23Å; Q904-L945 HydrophobicContact CG-CD2 4.45Å; Q941-L945 HydrophobicContact CG-CD1 4.13Å; Q941-L945 HydrophobicContact CG-CG 4.45Å; Q941-L945 WeakPolarHBondContact O-CG 3.4Å; Q941-L945 PolarHBondContact O-N 2.86Å; L942-L945 HydrophobicContact CD2-CD1 4.45Å; L942-L945 PolarHBondContact O-N 3.17Å; L945-N947 VanDerWaalsContact C-N 3.32Å; L945-N947 PolarHBondContact O-N 2.76Å; L945-T950 WeakPolarHBondContact O-CB 3.27Å; L945-T950 WeakPolarHBondContact O-CG2 3.24Å; L945-T950 PolarHBondContact O-N 3.35Å; L945-T950 VanDerWaalsContact O-N 3.1Å; L945-T950 PolarHBondContact O-OG1 3.38Å
946M83.1Confident80.1Confident0 Ų027.7 Ų27.70%016%0.157CC..Iπ-helixtrans-65.6-26.3176.8-68.6161.673.500114.3L92 F95 L942 W943 R957 A960 V961 Y964L92-M946 HydrophobicContact CD1-CE 4.23Å; F95-M946 HydrophobicContact CD1-CE 4.01Å; F95-M946 HydrophobicContact CE1-CE 4.15Å; F95-M946 HydrophobicContact CE2-CB 4.25Å; F95-M946 HydrophobicContact CG-CE 4.27Å; F95-M946 HydrophobicContact CZ-CB 4.07Å; F95-M946 VanDerWaalsContact CZ-O 3.28Å; F95-M946 WeakPolarHBondContact CZ-O 3.34Å; L942-M946 WeakPolarHBondContact O-CB 3.37Å; L942-M946 WeakPolarHBondContact O-CG 3.42Å; L942-M946 PolarHBondContact O-N 2.86Å; W943-M946 HydrophobicContact CE3-CE 4.29Å; W943-M946 HydrophobicContact CE3-SD 4.29Å; W943-M946 HydrophobicContact CZ3-CE 4.3Å; M946-R957 VanDerWaalsContact O-CZ 3.28Å; M946-R957 PolarHBondContact O-NE 2.91Å; M946-R957 PolarHBondContact O-NH2 3.15Å; M946-A960 HydrophobicContact CG-CB 4.02Å; M946-V961 HydrophobicContact CE-CG2 3.85Å; M946-V961 HydrophobicContact CG-CG2 4.17Å; M946-Y964 HydrophobicContact CE-CD1 4.44Å; M946-Y964 HydrophobicContact CE-CD2 4.27Å; M946-Y964 HydrophobicContact CE-CG 4.02Å; M946-Y964 HydrophobicContact SD-CD2 3.54Å; M946-Y964 VanDerWaalsContact SD-CD2 3.54Å; M946-Y964 HydrophobicContact SD-CE2 4.29Å; M946-Y964 HydrophobicContact SD-CG 3.76Å
947N80.2Confident80.6Confident3 Ų322.8 Ų22.82%0.01613%0.134CC..Iπ-helixtrans-92.9-72.3-179.9-79.6-87.7000111.8L80 C83 W943 K944 L945 R957L80-N947 CarbonylContact O-C 3.46Å; C83-N947 PolarHBondContact N-OD1 2.86Å; W943-N947 PolarHBondContact NE1-ND2 3.4Å; W943-N947 WeakPolarHBondContact O-CB 3.37Å; W943-N947 PolarHBondContact O-N 2.94Å; W943-N947 VanDerWaalsContact O-N 3.12Å; W943-N947 PolarHBondContact O-ND2 3.46Å; K944-N947 PolarHBondContact O-N 2.89Å; L945-N947 VanDerWaalsContact C-N 3.32Å; L945-N947 PolarHBondContact O-N 2.76Å; N947-R957 PolarHBondContact O-NH2 3.41Å
948S71.6Confident80.7Confident64 Ų6419.5 Ų19.545%0.44811%0.107SC..Iπ-helixtrans-105.3-28.9-168.6550000113.7K944 T950K944-S948 PolarHBondContact O-N 2.88Å; K944-S948 PolarHBondContact O-OG 3.35Å; S948-T950 PolarHBondContact O-N 3.18Å
949G68Low80.8Confident31 Ų3118.8 Ų18.832%0.3210%0.103SC..Iπ-helixtrans-66.3-33.7-176.800000114.4K944K944-G949 PolarHBondContact O-N 2.91Å
950T74.4Confident81Confident11 Ų1118.9 Ų18.97%0.06710%0.104CC..SBendtrans-113.18.1-173.956.60000114.4L945 S948 H952 D953 L956 R957L945-T950 WeakPolarHBondContact O-CB 3.27Å; L945-T950 WeakPolarHBondContact O-CG2 3.24Å; L945-T950 PolarHBondContact O-N 3.35Å; L945-T950 VanDerWaalsContact O-N 3.1Å; L945-T950 PolarHBondContact O-OG1 3.38Å; S948-T950 PolarHBondContact O-N 3.18Å; T950-H952 PolarHBondContact O-N 2.95Å; T950-D953 CarbonylContact O-C 3.58Å; T950-D953 PolarHBondContact O-N 3.5Å; T950-D953 VanDerWaalsContact O-O 3.08Å; T950-L956 HydrophobicContact CG2-CB 3.91Å; T950-R957 WeakPolarHBondContact OG1-CA 3.17Å; T950-R957 WeakPolarHBondContact OG1-CB 3.28Å; T950-R957 WeakPolarHBondContact OG1-CG 3.27Å
951A68.8Low81.1Confident2 Ų217.1 Ų17.12%0.0179%0.094CC..THydrogen-bonded Turntrans-62.9-10.6-172.100000115.8L80 W954L80-A951 HydrophobicContact CD2-CB 3.89Å; A951-W954 WeakPolarHBondContact O-CZ3 3.37Å
952H74.6Confident81.2Confident43 Ų4316.5 Ų16.520%0.1999%0.092CC..THydrogen-bonded Turntrans-93.6-8.6176.1-58.1-93.4000114Q58 K145 F177 T950Q58-H952 PolarHBondContact OE1-ND1 3.38Å; K145-H952 HydrophobicContact CB-CB 3.81Å; F177-H952 HydrophobicContact CE1-CB 4.44Å; F177-H952 WeakPolarHBondContact CE2-O 3.42Å; F177-H952 VanDerWaalsContact CZ-O 3.23Å; F177-H952 WeakPolarHBondContact CZ-O 3.42Å; T950-H952 PolarHBondContact O-N 2.95Å
953D80.8Confident81.2Confident11 Ų1116.5 Ų16.56%0.0599%0.092CC..  trans-140.4109.6-179.2-172.8-11.9000111Y302 H909 T950 R955 L956 R957Y302-D953 WeakPolarHBondContact CE2-OD2 3.42Å; Y302-D953 PolarHBondContact OH-OD1 3.02Å; H909-D953 IonicContact CD2-OD2 3.61Å; T950-D953 CarbonylContact O-C 3.58Å; T950-D953 PolarHBondContact O-N 3.5Å; T950-D953 VanDerWaalsContact O-O 3.08Å; D953-R955 PolarHBondContact O-N 3.3Å; D953-R955 WeakPolarHBondContact OD1-CB 3.41Å; D953-R955 PolarHBondContact OD1-N 2.76Å; D953-L956 HydrophobicContact CB-CB 4.3Å; D953-L956 HydrophobicContact CB-CD1 4.06Å; D953-L956 HydrophobicContact CB-CG 4.17Å; D953-L956 WeakPolarHBondContact OD2-CD1 3.16Å; D953-L956 WeakPolarHBondContact OD2-CG 3.29Å; D953-R957 PolarHBondContact O-N 2.91Å; D953-R957 VanDerWaalsContact O-N 3.12Å
954W79.2Confident81.3Confident12 Ų1215.9 Ų15.95%0.0459%0.09CC..Hα-helixtrans-60.8-32.1-177.1-42.4126.7000112.8K57 F177 H428 A951 C958K57-W954 HydrophobicContact CD-CH2 3.81Å; K57-W954 HydrophobicContact CD-CZ2 4.26Å; K57-W954 VanDerWaalsContact NZ-CH2 3.27Å; F177-W954 HydrophobicContact CE1-CH2 4.35Å; F177-W954 HydrophobicContact CE1-CZ2 4.3Å; F177-W954 AromaticContact CE2-CE2 3.7Å; F177-W954 HydrophobicContact CE2-CH2 4.1Å; F177-W954 AromaticContact CE2-CZ2 3.35Å; F177-W954 HydrophobicContact CE2-CZ2 3.35Å; F177-W954 AromaticContact CE2-NE1 3.85Å; F177-W954 AromaticContact CZ-CE2 3.92Å; F177-W954 AromaticContact CZ-CH2 3.47Å; F177-W954 HydrophobicContact CZ-CH2 3.47Å; F177-W954 VanDerWaalsContact CZ-CH2 3.47Å; F177-W954 AromaticContact CZ-CZ2 3.21Å; F177-W954 HydrophobicContact CZ-CZ2 3.21Å; F177-W954 HydrophobicContact CZ-CZ3 4.43Å; H428-W954 HydrophobicContact CB-CB 4.45Å; H428-W954 HydrophobicContact CB-CD2 4.19Å; H428-W954 HydrophobicContact CB-CE3 4.4Å; H428-W954 HydrophobicContact CB-CG 4.21Å; H428-W954 AromaticContact CE1-CD1 3.49Å; H428-W954 VanDerWaalsContact CE1-CD1 3.49Å; H428-W954 AromaticContact CE1-CE2 4Å; H428-W954 AromaticContact CE1-NE1 3.13Å; H428-W954 PolarHBondContact CE1-NE1 3.44Å; H428-W954 AromaticContact ND1-CD1 3.12Å; H428-W954 AromaticContact ND1-CD2 3.68Å; H428-W954 AromaticContact ND1-CE2 3.66Å; H428-W954 AromaticContact ND1-CG 3.38Å; H428-W954 AromaticContact ND1-NE1 3.25Å; H428-W954 PolarHBondContact ND1-NE1 3.39Å; A951-W954 WeakPolarHBondContact O-CZ3 3.37Å; W954-C958 PolarHBondContact O-N 2.91Å; W954-C958 VanDerWaalsContact O-N 3.09Å; W954-C958 PolarHBondContact O-SG 2.77Å
955R85.6Confident81.3Confident16 Ų1614 Ų146%0.068%0.08CC..Hα-helixtrans-67.6-60.2-179.1-175.2174.6178.6-169.9-1.4109.6Y302 W432 H913 D953 R957 C958 D959Y302-R955 PolarHBondContact O-NH1 3.03Å; Y302-R955 WeakPolarHBondContact OH-CB 3.37Å; W432-R955 HydrophobicContact CB-CG 4.29Å; H913-R955 VanDerWaalsContact CD2-CZ 3.48Å; H913-R955 PolarHBondContact CD2-NE 3.05Å; H913-R955 PolarHBondContact CD2-NH2 3Å; H913-R955 PolarHBondContact CE1-NE 3Å; H913-R955 VanDerWaalsContact CE1-NE 3.35Å; H913-R955 PolarHBondContact ND1-NE 2.97Å; H913-R955 VanDerWaalsContact ND1-NE 3.17Å; H913-R955 PolarHBondContact NE2-NE 3.34Å; H913-R955 PolarHBondContact NE2-NH2 2.98Å; D953-R955 PolarHBondContact O-N 3.3Å; D953-R955 WeakPolarHBondContact OD1-CB 3.41Å; D953-R955 PolarHBondContact OD1-N 2.76Å; R955-R957 PolarHBondContact O-N 3.49Å; R955-R957 VanDerWaalsContact O-N 3.13Å; R955-C958 CarbonylContact O-C 3.59Å; R955-C958 WeakPolarHBondContact O-CA 3.2Å; R955-C958 PolarHBondContact O-N 2.99Å; R955-D959 PolarHBondContact O-N 3.03Å
956L85.9Confident81.2Confident6 Ų615.9 Ų15.93%0.0319%0.092CC..Hα-helixtrans-55.1-35.7177.8-60.6179.3000112.8R912 H913 L916 T950 D953 D959 A960R912-L956 HydrophobicContact CB-CD1 3.92Å; R912-L956 HydrophobicContact CB-CD2 3.61Å; R912-L956 HydrophobicContact CB-CG 4.45Å; R912-L956 HydrophobicContact CG-CD1 4.49Å; H913-L956 VanDerWaalsContact CA-CD2 3.5Å; H913-L956 HydrophobicContact CB-CD2 3.89Å; H913-L956 VanDerWaalsContact N-CD2 3.31Å; L916-L956 HydrophobicContact CD1-CD2 4.29Å; T950-L956 HydrophobicContact CG2-CB 3.91Å; D953-L956 HydrophobicContact CB-CB 4.3Å; D953-L956 HydrophobicContact CB-CD1 4.06Å; D953-L956 HydrophobicContact CB-CG 4.17Å; D953-L956 WeakPolarHBondContact OD2-CD1 3.16Å; D953-L956 WeakPolarHBondContact OD2-CG 3.29Å; L956-D959 PolarHBondContact N-OD2 3.22Å; L956-D959 PolarHBondContact O-N 3.2Å; L956-A960 WeakPolarHBondContact O-CB 3.36Å; L956-A960 PolarHBondContact O-N 2.94Å
957R86.5Confident81.2Confident0 Ų016.2 Ų16.20%09%0.093CC..Hα-helixtrans-64.9-44.4174.5-168.5173.2-165.5160.48.4112.3T79 M946 N947 T950 D953 R955 V961T79-R957 PolarHBondContact O-NH1 3.17Å; T79-R957 PolarHBondContact O-NH2 2.92Å; M946-R957 VanDerWaalsContact O-CZ 3.28Å; M946-R957 PolarHBondContact O-NE 2.91Å; M946-R957 PolarHBondContact O-NH2 3.15Å; N947-R957 PolarHBondContact O-NH2 3.41Å; T950-R957 WeakPolarHBondContact OG1-CA 3.17Å; T950-R957 WeakPolarHBondContact OG1-CB 3.28Å; T950-R957 WeakPolarHBondContact OG1-CG 3.27Å; D953-R957 PolarHBondContact O-N 2.91Å; D953-R957 VanDerWaalsContact O-N 3.12Å; R955-R957 PolarHBondContact O-N 3.49Å; R955-R957 VanDerWaalsContact O-N 3.13Å; R957-V961 WeakPolarHBondContact O-CG2 3.27Å; R957-V961 PolarHBondContact O-N 3.38Å; R957-V961 VanDerWaalsContact O-N 3.14Å
958C84.6Confident81.1Confident1 Ų116.6 Ų16.61%0.00710%0.095CC..Hα-helixtrans-68-35.3175.1-64.20000111.8F422 W954 R955 V961 N962F422-C958 HydrophobicContact CE1-CB 4.13Å; F422-C958 HydrophobicContact CZ-CB 4.04Å; F422-C958 WeakPolarHBondContact CZ-O 3.5Å; W954-C958 PolarHBondContact O-N 2.91Å; W954-C958 VanDerWaalsContact O-N 3.09Å; W954-C958 PolarHBondContact O-SG 2.77Å; R955-C958 CarbonylContact O-C 3.59Å; R955-C958 WeakPolarHBondContact O-CA 3.2Å; R955-C958 PolarHBondContact O-N 2.99Å; C958-V961 CarbonylContact O-C 3.48Å; C958-V961 WeakPolarHBondContact O-CB 3.47Å; C958-V961 PolarHBondContact O-N 3.42Å; C958-N962 PolarHBondContact O-N 2.92Å; C958-N962 PolarHBondContact O-ND2 2.67Å; C958-N962 VanDerWaalsContact O-ND2 3.16Å
959D85.4Confident81.4Confident3 Ų313.7 Ų13.72%0.0168%0.075CC..Hα-helixtrans-68.9-38.6177.1-52.2-48.2000112.3H913 L916 R955 L956 V961 N962 L963H913-D959 IonicContact CE1-OD1 3.37Å; H913-D959 IonicContact CE1-OD2 3.49Å; H913-D959 PolarHBondContact CE1-OD2 3.09Å; H913-D959 IonicContact CG-OD2 3.42Å; H913-D959 VanDerWaalsContact ND1-CG 3.35Å; H913-D959 IonicContact ND1-OD1 3.12Å; H913-D959 IonicContact ND1-OD2 2.96Å; H913-D959 PolarHBondContact ND1-OD2 3.29Å; L916-D959 HydrophobicContact CB-CB 3.63Å; L916-D959 HydrophobicContact CD1-CB 3.86Å; L916-D959 HydrophobicContact CG-CB 4.4Å; R955-D959 PolarHBondContact O-N 3.03Å; L956-D959 PolarHBondContact N-OD2 3.22Å; L956-D959 PolarHBondContact O-N 3.2Å; D959-V961 VanDerWaalsContact C-N 3.26Å; D959-V961 PolarHBondContact O-N 3.19Å; D959-N962 WeakPolarHBondContact O-CB 3.35Å; D959-N962 PolarHBondContact O-N 3.45Å; D959-L963 WeakPolarHBondContact O-CB 3.45Å; D959-L963 PolarHBondContact O-N 3.18Å
960A86.8Confident81.7Confident1 Ų114.9 Ų14.91%0.0087%0.074CC..Hα-helixtrans-63.7-32.7171.100000112.3L916 M946 L956 Y964L916-A960 HydrophobicContact CD1-CB 4.47Å; M946-A960 HydrophobicContact CG-CB 4.02Å; L956-A960 WeakPolarHBondContact O-CB 3.36Å; L956-A960 PolarHBondContact O-N 2.94Å; A960-Y964 PolarHBondContact O-N 2.68Å; A960-Y964 VanDerWaalsContact O-N 3.1Å
961V85.9Confident81.5Confident4 Ų418.1 Ų18.12%0.0249%0.094CC..Hα-helixtrans-72.7-42.8173.9172.90000111.8L92 F95 F422 M946 R957 C958 D959 L963 Y964 Y965L92-V961 HydrophobicContact CD1-CG1 3.64Å; F95-V961 HydrophobicContact CD1-CG2 4.31Å; F95-V961 HydrophobicContact CE1-CG2 3.62Å; F95-V961 HydrophobicContact CZ-CG2 4.37Å; F422-V961 HydrophobicContact CD1-CG1 4.28Å; F422-V961 HydrophobicContact CE1-CB 3.76Å; F422-V961 HydrophobicContact CE1-CG1 3.38Å; F422-V961 HydrophobicContact CE1-CG2 4.44Å; F422-V961 HydrophobicContact CZ-CB 3.84Å; F422-V961 HydrophobicContact CZ-CG1 3.56Å; M946-V961 HydrophobicContact CE-CG2 3.85Å; M946-V961 HydrophobicContact CG-CG2 4.17Å; R957-V961 WeakPolarHBondContact O-CG2 3.27Å; R957-V961 PolarHBondContact O-N 3.38Å; R957-V961 VanDerWaalsContact O-N 3.14Å; C958-V961 CarbonylContact O-C 3.48Å; C958-V961 WeakPolarHBondContact O-CB 3.47Å; C958-V961 PolarHBondContact O-N 3.42Å; D959-V961 VanDerWaalsContact C-N 3.26Å; D959-V961 PolarHBondContact O-N 3.19Å; V961-L963 VanDerWaalsContact C-N 3.28Å; V961-L963 PolarHBondContact O-N 3.45Å; V961-Y964 PolarHBondContact O-N 3.47Å; V961-Y965 PolarHBondContact O-N 2.71Å
962N85.8Confident81.6Confident13 Ų1321 Ų217%0.0710%0.104CC..Hα-helixtrans-54.8-46.4171.6-75.5-52.5000110.3F422 S431 C958 D959 Y964 Y965 T966F422-N962 WeakPolarHBondContact CE2-OD1 3.4Å; S431-N962 WeakPolarHBondContact CB-ND2 3.31Å; S431-N962 PolarHBondContact OG-ND2 2.97Å; C958-N962 PolarHBondContact O-N 2.92Å; C958-N962 PolarHBondContact O-ND2 2.67Å; C958-N962 VanDerWaalsContact O-ND2 3.16Å; D959-N962 WeakPolarHBondContact O-CB 3.35Å; D959-N962 PolarHBondContact O-N 3.45Å; N962-Y964 PolarHBondContact O-N 2.99Å; N962-Y965 WeakPolarHBondContact O-CB 3.14Å; N962-Y965 PolarHBondContact O-N 3.34Å; N962-T966 PolarHBondContact O-N 3.14Å; N962-T966 PolarHBondContact O-OG1 2.82Å
963L85.9Confident81.7Confident1 Ų119.1 Ų19.11%0.00510%0.096CC..Hα-helixtrans-61.3-45.4178.9179.661.1000111.7L916 L919 C920 L942 D959 V961 Y965 T966 L967L916-L963 HydrophobicContact CD2-CD2 3.86Å; L919-L963 HydrophobicContact CB-CD1 4.21Å; L919-L963 HydrophobicContact CD2-CD1 3.88Å; L919-L963 HydrophobicContact CD2-CD2 3.76Å; L919-L963 HydrophobicContact CD2-CG 4.5Å; L919-L963 HydrophobicContact CG-CD1 3.76Å; C920-L963 VanDerWaalsContact SG-CA 3.6Å; C920-L963 PolarHBondContact SG-N 3.41Å; C920-L963 VanDerWaalsContact SG-N 3.37Å; L942-L963 HydrophobicContact CD2-CD2 3.67Å; L942-L963 HydrophobicContact CD2-CG 4.38Å; D959-L963 WeakPolarHBondContact O-CB 3.45Å; D959-L963 PolarHBondContact O-N 3.18Å; V961-L963 VanDerWaalsContact C-N 3.28Å; V961-L963 PolarHBondContact O-N 3.45Å; L963-Y965 VanDerWaalsContact C-N 3.31Å; L963-Y965 PolarHBondContact O-N 3.01Å; L963-T966 PolarHBondContact O-N 3.32Å; L963-L967 HydrophobicContact CD1-CD1 3.92Å; L963-L967 HydrophobicContact CD1-CG 4.12Å; L963-L967 HydrophobicContact CG-CD1 4.09Å; L963-L967 WeakPolarHBondContact O-CG 3.34Å; L963-L967 PolarHBondContact O-N 2.89Å
964Y85.6Confident81.1Confident0 Ų024.2 Ų24.20%013%0.133CC..Hα-helixtrans-60.5-40.6175.6-165-82.7000112.1R90 L92 V939 L942 W943 M946 A960 V961 N962 F968 G969 P973R90-Y964 PolarHBondContact O-OH 3.16Å; L92-Y964 HydrophobicContact CB-CD1 4.22Å; L92-Y964 HydrophobicContact CB-CE1 4.31Å; V939-Y964 HydrophobicContact CG1-CE2 4.23Å; L942-Y964 HydrophobicContact CB-CD2 4.29Å; W943-Y964 HydrophobicContact CE3-CE2 4.07Å; M946-Y964 HydrophobicContact CE-CD1 4.44Å; M946-Y964 HydrophobicContact CE-CD2 4.27Å; M946-Y964 HydrophobicContact CE-CG 4.02Å; M946-Y964 HydrophobicContact SD-CD2 3.54Å; M946-Y964 VanDerWaalsContact SD-CD2 3.54Å; M946-Y964 HydrophobicContact SD-CE2 4.29Å; M946-Y964 HydrophobicContact SD-CG 3.76Å; A960-Y964 PolarHBondContact O-N 2.68Å; A960-Y964 VanDerWaalsContact O-N 3.1Å; V961-Y964 PolarHBondContact O-N 3.47Å; N962-Y964 PolarHBondContact O-N 2.99Å; Y964-F968 HydrophobicContact CD1-CD2 4.21Å; Y964-F968 AromaticContact CD2-CD2 3.88Å; Y964-F968 HydrophobicContact CD2-CD2 3.88Å; Y964-F968 HydrophobicContact CD2-CE2 4.16Å; Y964-F968 HydrophobicContact CE1-CB 4.36Å; Y964-F968 HydrophobicContact CE1-CD2 4.22Å; Y964-F968 AromaticContact CE2-CD2 3.89Å; Y964-F968 HydrophobicContact CE2-CD2 3.89Å; Y964-F968 HydrophobicContact CE2-CE2 4.21Å; Y964-F968 HydrophobicContact CG-CD2 4.05Å; Y964-F968 PolarHBondContact O-N 3.38Å; Y964-G969 PolarHBondContact O-N 3.44Å; Y964-P973 WeakPolarHBondContact OH-CD 3.47Å; Y964-P973 VanDerWaalsContact OH-CG 3.26Å; Y964-P973 WeakPolarHBondContact OH-CG 3.26Å
965Y84.3Confident80.5Confident68 Ų6825.1 Ų25.127%0.26714%0.14SC..Hα-helixtrans-63.5-45174.5175.9-101.5000112.4L92 H421 V961 N962 L963 L967 G969 L970L92-Y965 HydrophobicContact CD2-CD2 4.01Å; L92-Y965 HydrophobicContact CD2-CG 4.37Å; H421-Y965 HydrophobicContact CB-CD2 4.04Å; H421-Y965 HydrophobicContact CB-CE2 4.39Å; H421-Y965 VanDerWaalsContact CE1-CB 3.46Å; H421-Y965 WeakPolarHBondContact CE1-CB 3.41Å; H421-Y965 AromaticContact CE1-CD1 3.53Å; H421-Y965 AromaticContact CE1-CG 3.38Å; H421-Y965 AromaticContact CG-CD2 3.83Å; H421-Y965 AromaticContact CG-CG 3.96Å; H421-Y965 AromaticContact ND1-CD1 3.54Å; H421-Y965 AromaticContact ND1-CD2 3.39Å; H421-Y965 WeakPolarHBondContact ND1-CD2 3.25Å; H421-Y965 AromaticContact ND1-CE1 3.95Å; H421-Y965 AromaticContact ND1-CE2 3.83Å; H421-Y965 AromaticContact ND1-CG 3.23Å; V961-Y965 PolarHBondContact O-N 2.71Å; N962-Y965 WeakPolarHBondContact O-CB 3.14Å; N962-Y965 PolarHBondContact O-N 3.34Å; L963-Y965 VanDerWaalsContact C-N 3.31Å; L963-Y965 PolarHBondContact O-N 3.01Å; Y965-L967 PolarHBondContact O-N 3.48Å; Y965-G969 WeakPolarHBondContact O-CA 3.38Å; Y965-G969 PolarHBondContact O-N 3.06Å; Y965-L970 HydrophobicContact CD2-CD2 3.84Å; Y965-L970 HydrophobicContact CD2-CG 4.45Å; Y965-L970 HydrophobicContact CE2-CD2 3.7Å; Y965-L970 HydrophobicContact CE2-CG 4.05Å
966T83Confident79.7Confident43 Ų4324.9 Ų24.926%0.26414%0.14SC..Hα-helixtrans-65.3-37.2179.8-62.30000112.6P923 N962 L963P923-T966 HydrophobicContact CB-CG2 3.76Å; P923-T966 HydrophobicContact CG-CG2 3.8Å; N962-T966 PolarHBondContact O-N 3.14Å; N962-T966 PolarHBondContact O-OG1 2.82Å; L963-T966 PolarHBondContact O-N 3.32Å
967L82.3Confident78.6Confident7 Ų728.4 Ų28.44%0.03716%0.164CC..Hα-helixtrans-80.2-43.6-179.5-63.6178.1000113.3P923 P924 F925 K927 L942 L963 Y965P923-L967 HydrophobicContact CB-CD2 4.23Å; P924-L967 HydrophobicContact CG-CD2 4.45Å; F925-L967 HydrophobicContact CD1-CD2 4.24Å; F925-L967 HydrophobicContact CD2-CD2 4.15Å; F925-L967 HydrophobicContact CE1-CD1 4.45Å; F925-L967 HydrophobicContact CE1-CD2 3.99Å; F925-L967 HydrophobicContact CE2-CB 3.97Å; F925-L967 HydrophobicContact CE2-CD2 3.89Å; F925-L967 HydrophobicContact CE2-CG 4.4Å; F925-L967 HydrophobicContact CG-CD2 4.32Å; F925-L967 HydrophobicContact CZ-CB 4.08Å; F925-L967 HydrophobicContact CZ-CD1 4.11Å; F925-L967 HydrophobicContact CZ-CD2 3.81Å; F925-L967 HydrophobicContact CZ-CG 4.21Å; K927-L967 WeakPolarHBondContact CA-O 3.4Å; L942-L967 HydrophobicContact CD1-CD1 3.95Å; L963-L967 HydrophobicContact CD1-CD1 3.92Å; L963-L967 HydrophobicContact CD1-CG 4.12Å; L963-L967 HydrophobicContact CG-CD1 4.09Å; L963-L967 WeakPolarHBondContact O-CG 3.34Å; L963-L967 PolarHBondContact O-N 2.89Å; Y965-L967 PolarHBondContact O-N 3.48Å
968F78.6Confident77.3Confident11 Ų1135 Ų355%0.04820%0.198CC..Hα-helixtrans-122.6-22.7-169.3-48-66.4000114.5F925 K927 V939 L942 Y964 P973F925-F968 HydrophobicContact CE2-CE1 4Å; F925-F968 AromaticContact CZ-CE1 3.93Å; F925-F968 HydrophobicContact CZ-CE1 3.93Å; F925-F968 HydrophobicContact CZ-CZ 4.06Å; K927-F968 WeakPolarHBondContact CE-O 3.47Å; V939-F968 HydrophobicContact CG2-CE1 4Å; V939-F968 HydrophobicContact CG2-CE2 4.06Å; V939-F968 HydrophobicContact CG2-CZ 3.62Å; L942-F968 HydrophobicContact CD1-CE2 3.93Å; L942-F968 HydrophobicContact CD1-CZ 4.49Å; Y964-F968 HydrophobicContact CD1-CD2 4.21Å; Y964-F968 AromaticContact CD2-CD2 3.88Å; Y964-F968 HydrophobicContact CD2-CD2 3.88Å; Y964-F968 HydrophobicContact CD2-CE2 4.16Å; Y964-F968 HydrophobicContact CE1-CB 4.36Å; Y964-F968 HydrophobicContact CE1-CD2 4.22Å; Y964-F968 AromaticContact CE2-CD2 3.89Å; Y964-F968 HydrophobicContact CE2-CD2 3.89Å; Y964-F968 HydrophobicContact CE2-CE2 4.21Å; Y964-F968 HydrophobicContact CG-CD2 4.05Å; Y964-F968 PolarHBondContact O-N 3.38Å; F968-P973 HydrophobicContact CB-CB 4.39Å; F968-P973 HydrophobicContact CB-CG 3.94Å; F968-P973 HydrophobicContact CD1-CB 3.84Å; F968-P973 HydrophobicContact CD1-CG 4.04Å; F968-P973 HydrophobicContact CD2-CG 4.23Å; F968-P973 HydrophobicContact CE1-CB 4.36Å; F968-P973 HydrophobicContact CG-CB 4.12Å; F968-P973 HydrophobicContact CG-CG 3.8Å
969G77.4Confident75.9Confident4 Ų437.7 Ų37.74%0.04122%0.216CC..  trans80.4-156.8-177.800000114.4Y964 Y965 T971Y964-G969 PolarHBondContact O-N 3.44Å; Y965-G969 WeakPolarHBondContact O-CA 3.38Å; Y965-G969 PolarHBondContact O-N 3.06Å; G969-T971 VanDerWaalsContact C-N 3.34Å
970L73.4Confident74.2Confident56 Ų5645.4 Ų45.429%0.29325%0.252SS..SBendtrans-75-23.7-178.2-57-179.6000113.8L92 H421 Y965L92-L970 HydrophobicContact CD2-CD2 4.42Å; H421-L970 HydrophobicContact CB-CD2 3.63Å; Y965-L970 HydrophobicContact CD2-CD2 3.84Å; Y965-L970 HydrophobicContact CD2-CG 4.45Å; Y965-L970 HydrophobicContact CE2-CD2 3.7Å; Y965-L970 HydrophobicContact CE2-CG 4.05Å
971T70.4Confident72.4Confident79 Ų7952.7 Ų52.749%0.48529%0.29SS..SBendtrans-86.3164.2-17340.70000112.6G969G969-T971 VanDerWaalsContact C-N 3.34Å
972R71.9Confident70.2Confident61 Ų6153.5 Ų53.523%0.2330%0.298CS..PPolyproline II helixtrans-55.7134.4168.4-168.3-165.6-170.780.3-6.4109.7K88 N91 L976 P977K88-R972 PolarHBondContact O-NH1 2.73Å; N91-R972 WeakPolarHBondContact OD1-CB 3.17Å; R972-L976 HydrophobicContact CG-CB 4.48Å; R972-L976 HydrophobicContact CG-CD1 4.26Å; R972-P977 PolarHBondContact NH2-O 3.19Å
973P76.1Confident68Low4 Ų458.8 Ų58.83%0.02633%0.326CS..PPolyproline II helixtrans-56.4137.9167.4-23.632.1000111.7V939 Y964 F968 C975 L976V939-P973 HydrophobicContact CG1-CG 4.05Å; V939-P973 HydrophobicContact CG2-CB 4.15Å; V939-P973 HydrophobicContact CG2-CG 4.18Å; Y964-P973 WeakPolarHBondContact OH-CD 3.47Å; Y964-P973 VanDerWaalsContact OH-CG 3.26Å; Y964-P973 WeakPolarHBondContact OH-CG 3.26Å; F968-P973 HydrophobicContact CB-CB 4.39Å; F968-P973 HydrophobicContact CB-CG 3.94Å; F968-P973 HydrophobicContact CD1-CB 3.84Å; F968-P973 HydrophobicContact CD1-CG 4.04Å; F968-P973 HydrophobicContact CD2-CG 4.23Å; F968-P973 HydrophobicContact CE1-CB 4.36Å; F968-P973 HydrophobicContact CG-CB 4.12Å; F968-P973 HydrophobicContact CG-CG 3.8Å; P973-C975 VanDerWaalsContact C-N 3.25Å; P973-C975 PolarHBondContact O-N 3.15Å; P973-L976 HydrophobicContact CB-CG 4.32Å; P973-L976 HydrophobicContact CG-CD1 4.29Å; P973-L976 PolarHBondContact O-N 3.1Å
974S67.5Low66Low118 Ų11863.5 Ų63.583%0.82536%0.355SS*.THydrogen-bonded Turntrans-65.5-26.6179.845.90000113.6L976S974-L976 VanDerWaalsContact C-N 3.28Å; S974-L976 PolarHBondContact O-N 2.77Å
975C67.1Low63.9Low31 Ų3169 Ų6921%0.20938%0.383CS..THydrogen-bonded Turntrans-74.7-9.1178.257.30000114.5C934 E936 P973C934-C975 WeakPolarHBondContact O-CB 3.34Å; C934-C975 PolarHBondContact O-SG 2.74Å; E936-C975 VanDerWaalsContact CG-O 3.24Å; E936-C975 WeakPolarHBondContact CG-O 3.38Å; P973-C975 VanDerWaalsContact C-N 3.25Å; P973-C975 PolarHBondContact O-N 3.15Å
976L68.9Low62Low11 Ų1168.8 Ų68.86%0.05839%0.387CS..SBendtrans-87.5131.3175.8-67.3-178.9000111.2R90 E936 V939 R972 P973 S974R90-L976 HydrophobicContact CB-CD1 3.72Å; R90-L976 HydrophobicContact CG-CD1 4.31Å; E936-L976 HydrophobicContact CG-CD2 4.48Å; V939-L976 HydrophobicContact CB-CD2 4.28Å; V939-L976 HydrophobicContact CG1-CD1 4.01Å; V939-L976 HydrophobicContact CG1-CD2 3.97Å; V939-L976 HydrophobicContact CG1-CG 4.17Å; R972-L976 HydrophobicContact CG-CB 4.48Å; R972-L976 HydrophobicContact CG-CD1 4.26Å; P973-L976 HydrophobicContact CB-CG 4.32Å; P973-L976 HydrophobicContact CG-CD1 4.29Å; P973-L976 PolarHBondContact O-N 3.1Å; S974-L976 VanDerWaalsContact C-N 3.28Å; S974-L976 PolarHBondContact O-N 2.77Å
977P63.2Low60.3Low81 Ų8174.5 Ų74.553%0.52642%0.415SS..PPolyproline II helixtrans-56.4143.1179.822.2-33.3000111.7E936 R972E936-P977 WeakPolarHBondContact OE1-CD 3.31Å; R972-P977 PolarHBondContact NH2-O 3.19Å
978L58.4Low58.6Low139 Ų13983.5 Ų83.573%0.72845%0.454SS*.PPolyproline II helixtrans-62.8134.2179.6-70.3173.4000110.4E980L978-E980 PolarHBondContact O-N 2.85Å
979P56.5Low57.2Low57 Ų5789.3 Ų89.337%0.3748%0.481SS..PPolyproline II helixtrans-68.2126.6177.628.4-32.7000110.1L981 G982P979-L981 PolarHBondContact O-N 2.9Å; P979-G982 PolarHBondContact O-N 2.84Å; P979-G982 VanDerWaalsContact O-N 3.14Å
980E49.7Very low55.3Low165 Ų16598.5 Ų98.577%0.77152%0.52SS*.G310 helixtrans-55.6-22.5-169-61.1164.3114.800115.1L978 G982L978-E980 PolarHBondContact O-N 2.85Å; E980-G982 PolarHBondContact O-N 2.89Å
981L49.4Very low53.6Low154 Ų154103.3 Ų103.381%0.80654%0.539SS*.G310 helixtrans-73.716.2176.2-77.3136.5000114.3P979P979-L981 PolarHBondContact O-N 2.9Å
982G38.9Very low52Low20 Ų20102.6 Ų102.621%0.20654%0.541CS..G310 helixtrans-89.4-11.917300000115.6P979 E980P979-G982 PolarHBondContact O-N 2.84Å; P979-G982 VanDerWaalsContact O-N 3.14Å; E980-G982 PolarHBondContact O-N 2.89Å
983L39.4Very low50.5Low124 Ų124104 Ų10465%0.64956%0.556SS**EExtended strand (participates in β ladder)trans-100.288-172.9-81167.4000113.1L985 A992L983-L985 PolarHBondContact O-N 3.15Å; L983-A992 HydrophobicContact CD2-CB 3.59Å
984V43.5Very low48.6Very low101 Ų101109.9 Ų109.961%0.61259%0.586SS**EExtended strand (participates in β ladder)trans-86102.8163.3-178.40000108.7N986V984-N986 PolarHBondContact O-N 3.35Å; V984-N986 VanDerWaalsContact O-N 3.17Å
985L42Very low46.9Very low114 Ų114108.1 Ų108.160%0.59757%0.568SS**EExtended strand (participates in β ladder)trans-69.6106.9171.3-86.7165.5000110.1L983 L987L983-L985 PolarHBondContact O-N 3.15Å; L985-L987 PolarHBondContact O-N 2.95Å
986N44.2Very low45.2Very low65 Ų65112.1 Ų112.135%0.34859%0.593SS.*  trans-70.594.1169.4-174.76.6000109.4V984 K988 E989 K990V984-N986 PolarHBondContact O-N 3.35Å; V984-N986 VanDerWaalsContact O-N 3.17Å; N986-K988 PolarHBondContact O-N 3.27Å; N986-E989 PolarHBondContact ND2-OE2 3.01Å; N986-E989 PolarHBondContact O-N 3.45Å; N986-K990 PolarHBondContact O-N 3.35Å
987L46.8Very low43.4Very low163 Ų163117.3 Ų117.385%0.85363%0.625SS**THydrogen-bonded Turntrans-58.4-15.7-173-73.6168.6000114.6L985L985-L987 PolarHBondContact O-N 2.95Å
988K47.5Very low42Very low196 Ų196120 Ų12085%0.85263%0.634SS**THydrogen-bonded Turntrans-79.7-24.7173.3-80.7-172172.5-177.10114.7N986N986-K988 PolarHBondContact O-N 3.27Å
989E48.3Very low40.5Very low133 Ų133122.5 Ų122.562%0.62164%0.639SS**THydrogen-bonded Turntrans-121.9-6.1-165.2-66.5-179.5158.500114.6N986 K991N986-E989 PolarHBondContact ND2-OE2 3.01Å; N986-E989 PolarHBondContact O-N 3.45Å; E989-K991 PolarHBondContact O-N 2.85Å; E989-K991 VanDerWaalsContact O-N 3.11Å
990K38.8Very low39.1Very low196 Ų196125.2 Ų125.285%0.85266%0.657SS**  trans51.832.4177.4-65.1-171.3175.7-176.40114.7N986N986-K990 PolarHBondContact O-N 3.35Å
991K37.4Very low38Very low158 Ų158126.5 Ų126.569%0.68766%0.663SS**  trans-124.1144168.5-72.2-173.9176.5-178.20110.5E989E989-K991 PolarHBondContact O-N 2.85Å; E989-K991 VanDerWaalsContact O-N 3.11Å
992A37Very low37Very low64 Ų64127.3 Ų127.353%0.52967%0.667SS.*EExtended strand (participates in β ladder)trans-75.2136.5167.100000109.5L983L983-A992 HydrophobicContact CD2-CB 3.59Å
993V39.8Very low36.5Very low90 Ų90129.5 Ų129.555%0.54569%0.69SS.*EExtended strand (participates in β ladder)trans-132.2134.5174.5-176.80000108.1
994L36.2Very low35.8Very low128 Ų128130.8 Ų130.867%0.6770%0.702SS**EExtended strand (participates in β ladder)trans-74.1146.1178.6-79.7163.3000111.6
995N31.8Very low34.9Very low80 Ų80130.6 Ų130.643%0.42871%0.706SS.*  trans-64.6124.9-179.8-156.7-5.3000110.6T997 I998N995-T997 PolarHBondContact O-N 3.41Å; N995-I998 PolarHBondContact O-N 3.07Å
996P32.5Very low34.1Very low115 Ų115131.7 Ų131.775%0.74772%0.717SS**THydrogen-bonded Turntrans-70.15.8-168.226.9-36.9000116.1I998P996-I998 PolarHBondContact O-N 3.25Å
997T29.8Very low33.1Very low120 Ų120134.3 Ų134.374%0.73674%0.735SS**THydrogen-bonded Turntrans-71.9-11.8172.710.30000114.1N995N995-T997 PolarHBondContact O-N 3.41Å
998I34.4Very low32Very low138 Ų138135.1 Ų135.171%0.70874%0.736SS**  trans-107.1102.2173.2-55.3177.1000108.7N995 P996N995-I998 PolarHBondContact O-N 3.07Å; P996-I998 PolarHBondContact O-N 3.25Å
999K25.6Very low30.8Very low191 Ų191132.7 Ų132.783%0.8373%0.733SS**PPolyproline II helixtrans-89.2121.8163.2-71.8-172.8176.8-175.10109.1
1000P27Very low29.6Very low114 Ų114132.9 Ų132.974%0.7474%0.743SS**PPolyproline II helixtrans-65.4140.6155.4-10.126.6000108.5
1001E27.3Very low29.1Very low192 Ų192129.4 Ų129.490%0.89774%0.74SS**PPolyproline II helixtrans-72.4128.8164.9-69.6-175.2130.200108.9G1003E1001-G1003 PolarHBondContact O-N 2.93Å
1002L28.8Very low28.5Very low172 Ų172126.8 Ų126.890%0.90175%0.748SS**  trans-69.7113.4167.7-81.3159.4000107.7
1003G27.6Very low28Very low66 Ų66129.6 Ų129.668%0.6876%0.764SS**  trans-59.5137.6174.300000110.8E1001 S1005E1001-G1003 PolarHBondContact O-N 2.93Å; G1003-S1005 PolarHBondContact O-N 3.46Å
1004V25.8Very low27.4Very low150 Ų150133.8 Ų133.891%0.90978%0.781SS**  trans-7193.8176-178.70000108.6
1005S25.2Very low26.8Very low98 Ų98130.5 Ų130.569%0.68578%0.779SS**PPolyproline II helixtrans-72.6134.4169.145.80000110.1G1003 V1007G1003-S1005 PolarHBondContact O-N 3.46Å; S1005-V1007 PolarHBondContact O-N 2.89Å
1006V24.5Very low26.6Very low137 Ų137135 Ų13583%0.8380%0.801SS**PPolyproline II helixtrans-67.1118.8169.9177.10000107.9M1008V1006-M1008 PolarHBondContact O-N 3.47Å
1007V23.3Very low26.3Very low120 Ų120138.8 Ų138.873%0.72781%0.809SS**PPolyproline II helixtrans-72.8122.9175.3-179.40000108.7S1005S1005-V1007 PolarHBondContact O-N 2.89Å
1008M24.2Very low26.1Very low179 Ų179136.9 Ų136.988%0.88281%0.813SS**  trans-125110.8169.9-146.2175.5-171.200107.3V1006V1006-M1008 PolarHBondContact O-N 3.47Å
1009D22.5Very low25.7Very low146 Ų146137.6 Ų137.678%0.78182%0.823SS**  trans-69.5136.8-175.2-74.9-55.3000112.4
1010T23Very low25.7Very low136 Ų136131.4 Ų131.483%0.83481%0.814SS**  trans-162.5154.2149.26.20000109.7
1011P27Very low25.6Very low123 Ų123133.8 Ų133.880%0.79982%0.818SS**  trans-92.4159.2-151.835.1-37.4000116.9
1012A25.8Very low25.4Very low103 Ų103129.1 Ų129.185%0.85181%0.807SS**  trans-44.5149.3-177.700000118.9
1013S26Very low25.2Very low124 Ų124131.8 Ų131.887%0.86781%0.807SS**  trans-141.4159.3153.164.10000111.4
1014I26.8Very low25.1Very low177 Ų177133.3 Ų133.391%0.90881%0.813SS**  trans-104144.8-161.7-63157.2000110.9
1015G24.7Very low25.1Very low60 Ų60130.1 Ų130.162%0.61980%0.802SS**  trans155.6101.3148.500000121.5
1016I27.8Very low25.1Very low173 Ų173131.4 Ų131.489%0.88781%0.806SS**  67148129.1-61170.9000120.5
1017H25.7Very low25.1Very low196 Ų196132.1 Ų132.191%0.90781%0.805SS**  trans-80.7152.8178.8-68.1-94.5000114.6
1018G25.7Very low25.2Very low80 Ų80135.2 Ų135.283%0.82581%0.811SS**  trans-159.6131.1170.100000115.2
1019V26.1Very low25.3Very low153 Ų153135 Ų13593%0.92781%0.808SS**  trans-83.7152.2-168.3174.20000115
1020G25Very low26.3Very low61 Ų61132.6 Ų132.663%0.62980%0.8SS**  trans133.3137.6163.500000113.4
1021I26Very low26.2Very low164 Ų164133.2 Ų133.284%0.84180%0.799SS**  cis68117.827.3-49.7179.4000111.2
1022S22.6Very low26.7Very low94 Ų94132.3 Ų132.366%0.65779%0.793SS**  cis-167.1157.43.546.40000114.1
1023Y25Very low26.7Very low228 Ų228133.1 Ų133.189%0.89479%0.787SS**  trans37.9143148-77.5-76.2000124
1024A24.1Very low26.6Very low98 Ų98132.5 Ų132.581%0.8178%0.783SS**  trans71.2156.7158.300000117.8
1025A25.4Very low26.5Very low83 Ų83132 Ų13269%0.68678%0.781SS**  cis-171.3139.3-29.400000110.3
1026V26Very low26.5Very low125 Ų125132.7 Ų132.776%0.75879%0.789SS**  trans67.7127.8139.5176.80000121.5
1027D25Very low26.3Very low152 Ų152130.7 Ų130.781%0.81378%0.784SS**  trans78.2152.6152.3-66.3-12000126
1028E25.6Very low26.2Very low184 Ų184127.7 Ų127.786%0.8678%0.784SS**  trans72.1101.9165.5-68.7-178.7154.700122.7
1029E25Very low26.1Very low174 Ų174127.7 Ų127.781%0.81378%0.783SS**  23.4160.2115-62.3-74.3107.900121.4
1030P43.8Very low26.2Very low96 Ų96127.9 Ų127.962%0.62378%0.784SS**  cis-141.1178.7-40.840.2-23000115
1031D21.3Very low26.2Very low149 Ų149128.4 Ų128.480%0.79779%0.79SS**  trans64.2174.4154.6-102-10.5000119.7
1032P38.3Very low26.2Very low105 Ų105129.9 Ų129.968%0.68279%0.794SS**  cis-133.7163.8-11.931.5-10.4000117.6
1033V25.9Very low27.3Very low119 Ų119130.5 Ų130.572%0.72180%0.795SS**  trans23.7123.4139.2-172.30000122.5
1034S24.1Very low27.6Very low112 Ų112125.1 Ų125.178%0.78379%0.788SS**  177.7131124.637.70000110.8
1035L24.3Very low27.8Very low165 Ų165129.2 Ų129.286%0.86479%0.791SS**  68.1102.963.7-80.3171.2000115.5
1036G24.1Very low27.8Very low76 Ų76128.7 Ų128.778%0.78479%0.793SS**  trans-166.7135.6170.100000111.3
1037V23.9Very low27.9Very low130 Ų130129.4 Ų129.479%0.78879%0.792SS**  trans-139.3156.3-164.3170.10000112.2
1038C22.9Very low28Very low134 Ų134129.8 Ų129.891%0.90579%0.787SS**  trans78.1146.3168.1-88.90000119.2
1039G24.6Very low28Very low79 Ų79131.7 Ų131.781%0.81479%0.786SS**  trans162.480.5174.400000114
1040V28.1Very low28.1Very low157 Ų157131.8 Ų131.895%0.95278%0.783SS**  trans-91137.2174.6177.10000110.4
1041G24.1Very low27.3Very low73 Ų73130.7 Ų130.775%0.75378%0.783SS**  trans-156.5141.917400000113.4
1042Q26Very low27.5Very low195 Ų195132 Ų13291%0.91178%0.784SS**  trans-120.9171-179.8-101.7-160.4-6.300112.1
1043P44.9Very low27.1Very low107 Ų107133.1 Ų133.170%0.69579%0.789SS**  trans-110.1172.1-152.941.9-38.5000116.9
1044P31.7Very low28Very low114 Ų114132.4 Ų132.474%0.7479%0.787SS**  trans-107141.9149.737.2-27.5000111
1045Q28.5Very low28.2Very low185 Ų185135.5 Ų135.586%0.86479%0.794SS**  54.3124.767.3-57.5-168.115.600113.4
1046G26.3Very low28.2Very low72 Ų72131.2 Ų131.274%0.74279%0.789SS**  cis-168.3-146.28.700000111.3
1047L28.1Very low28.4Very low139 Ų139133.1 Ų133.173%0.72879%0.79SS**  cis-175.7135.5-7.7-111.9160.6000111.9
1048K26.2Very low29.6Very low161 Ų161132.6 Ų132.670%0.779%0.79SS**  trans71.7121.2154.2-69.6161.3178.5166.30124.5
1049R26.5Very low30.2Very low223 Ų223131.8 Ų131.884%0.84278%0.783SS**  66.7162126.7-60.7179173.5177.1-3.3118.8
1050K26.5Very low30.7Very low176 Ų176136.6 Ų136.677%0.76578%0.784SS**  cis-161.3154.25.7-145.2-167.7174.3-155.50111.8
1051A27.7Very low31Very low74 Ų74135.1 Ų135.161%0.61278%0.778SS**  trans62.1169.8152.800000118.4
1052E25.4Very low31.2Very low177 Ų177135 Ų13583%0.82778%0.777SS**  cis-151.1170.10.7-145.9138.3-108.800111.6
1053T28.8Very low31.2Very low127 Ų127134.2 Ų134.278%0.77977%0.773SS**  trans-101.4-167.917247.20000109.7
1054P46.3Very low30.2Very low104 Ų104135.6 Ų135.668%0.67577%0.773SS**  cis-153.7-169.113.547-24.6000120
1055L27.8Very low29.9Very low178 Ų178137.1 Ų137.193%0.93277%0.774SS**  trans73.8140.7147.2-81.2165.4000123.8
1056G24.3Very low29.7Very low74 Ų74136.1 Ų136.176%0.76377%0.77SS**  trans153.5119.3161.400000116.1
1057S27.2Very low29.7Very low116 Ų116142 Ų14281%0.81178%0.778SS**  trans-169.8173.717662.50000111.9
1058P48.8Very low29.5Very low120 Ų120142.4 Ų142.478%0.77978%0.776SS**  cis-107.1-108.4-13.934.3-14.3000110.7
1059P37.3Very low29.5Very low116 Ų116143.2 Ų143.275%0.75378%0.782SS**  cis-127.8-165.1-6.145.3-27.4000115.4
1060E33.6Very low29.4Very low181 Ų181139.3 Ų139.385%0.84678%0.778SS**  trans-111176.8164.3-54.5-177.5140.800111.1
1061P35.7Very low29.4Very low126 Ų126136.2 Ų136.282%0.81877%0.77SS**  -161.614889.139.7-18.3000120.7
1062G27.2Very low29.3Very low71 Ų71136.2 Ų136.273%0.73278%0.777SS**  trans74.8168.4144.100000121.3
1063Q26.5Very low29.3Very low177 Ų177138 Ų13883%0.82778%0.776SS**  cis-168.7147.8-13.8-120.6-169.5-6.200114
1064I24.8Very low29Very low136 Ų136137.2 Ų137.270%0.69778%0.782SS**  trans84.7151.9142.6-75.2169.8000123.4
1065L25.1Very low27.9Very low146 Ų146135.9 Ų135.976%0.76479%0.787SS**  trans70.6110177.9-71.9152.4000116.4
1066Q24.3Very low27.7Very low164 Ų164138.5 Ų138.577%0.76679%0.785SS**  76.411350.7-74.7-169.6-41.200117.2
1067H26.2Very low27.6Very low197 Ų197145 Ų14591%0.91279%0.788SS**  -151.7168.2121.5-120.7-82.6000110.2
1068Q23.8Very low27.3Very low147 Ų147148.1 Ų148.169%0.68779%0.787SS**  trans-139.4170.1-158.7-172.1173-11.300113.7
1069E25Very low26.1Very low178 Ų178149.5 Ų149.583%0.83279%0.786SS**  trans100.4135.6163.3-56.5-178.4170.900117.9
1070D25.8Very low25.3Very low141 Ų141153.9 Ų153.975%0.75479%0.788SS**  cis-178.1166.9-40.1-115.584.2000109.3
1071D25.3Very low24.8Very low111 Ų111155.1 Ų155.159%0.59479%0.791SS**  cis-111.9-78.7-8.4162-28.1000110.8R1073D1071-R1073 WeakPolarHBondContact OD1-CG 3.22Å; D1071-R1073 PolarHBondContact OD1-N 3.45Å; D1071-R1073 WeakPolarHBondContact OD2-CG 3.48Å; D1071-R1073 IonicContact OD2-NE 2.79Å; D1071-R1073 PolarHBondContact OD2-NE 3.44Å
1072G25.3Very low24.1Very low74 Ų74154.4 Ų154.476%0.76378%0.78SS**  cis-140.355.8-5.400000115.4
1073R25.8Very low24Very low213 Ų213158 Ų15880%0.80479%0.788SS**  trans40.5101.4163.6-60.8-175.7-176-164.3-5123.1D1071D1071-R1073 WeakPolarHBondContact OD1-CG 3.22Å; D1071-R1073 PolarHBondContact OD1-N 3.45Å; D1071-R1073 WeakPolarHBondContact OD2-CG 3.48Å; D1071-R1073 IonicContact OD2-NE 2.79Å; D1071-R1073 PolarHBondContact OD2-NE 3.44Å
1074A23.3Very low23.8Very low111 Ų111155.9 Ų155.992%0.91778%0.779SS**  20.7142.3126.400000123.9
1075G24Very low23.8Very low76 Ų76156.8 Ų156.878%0.78478%0.781SS**  trans-164.45.6177.400000125.9
1076R22.4Very low23.7Very low234 Ų234159 Ų15988%0.88379%0.787SS**  trans44.4112.7164-70-172.1174.2179.7-0.1122.9
1077Y22.3Very low23.7Very low211 Ų211160.3 Ų160.383%0.82779%0.793SS**  73.3139.1128.8-80.8-70.4000126.2
1078K21.5Very low23.6Very low180 Ų180158.6 Ų158.678%0.78379%0.791SS**  trans82.5120.2159.4-70.3177.9178.6-178.20117.5
1079I23.1Very low23.6Very low149 Ų149158.9 Ų158.976%0.76480%0.795SS**  74.2125.163.3-69.2172.1000110.8
1080R21Very low23.6Very low208 Ų208155.7 Ų155.779%0.78578%0.784SS**  cis-159.4160.611.4-140.1175.8-170.9168.40.5109.8
1081F22.1Very low23.7Very low207 Ų207155 Ų15591%0.90878%0.778SS**  trans169.6117.9133.6-89.7-66000107
1082N21.9Very low23.8Very low112 Ų112157.8 Ų157.860%0.59979%0.787SS**  88.38852.6-137.194.7000113.6
1083T24.5Very low24Very low145 Ų145158.7 Ų158.789%0.8978%0.778SS**  trans-131.7116.7163.344.60000109.1
1084M23.4Very low24.3Very low133 Ų133151.7 Ų151.766%0.65576%0.759SS**  trans-111.9154.4167.6-77.4160.58500105.4
1085E23.3Very low24.7Very low155 Ų155152.5 Ų152.572%0.72474%0.744SS**  cis-155.8143.8-0.1-106.5147157.300106.5
1086E23.5Very low25.3Very low193 Ų193153.6 Ų153.690%0.90273%0.731SS**  trans-125.4135153.8-74.8-172.3129.700106.4D1088E1086-D1088 PolarHBondContact O-N 2.97Å; E1086-D1088 VanDerWaalsContact O-N 3.16Å
1087E24.1Very low25.9Very low192 Ų192144 Ų14490%0.89770%0.7SS**  trans-86.583.9-168.5-67.1-177.5137.500111.8I1089E1087-I1089 PolarHBondContact O-N 2.93Å
1088D23.4Very low26.5Very low161 Ų161140.5 Ų140.586%0.86169%0.692SS**  trans-65.3127.2162.2-84.9-38.6000110E1086 D1090E1086-D1088 PolarHBondContact O-N 2.97Å; E1086-D1088 VanDerWaalsContact O-N 3.16Å; D1088-D1090 PolarHBondContact O-N 2.79Å; D1088-D1090 VanDerWaalsContact O-N 3.08Å
1089I25.1Very low27.2Very low152 Ų152134.2 Ų134.278%0.77967%0.673SS**  trans-83.387.1-178.3-56178000109.6E1087E1087-I1089 PolarHBondContact O-N 2.93Å
1090D24.1Very low28.1Very low111 Ų111129.9 Ų129.959%0.59465%0.649SS**  trans-67129.9173.3-169.6-10.8000111.3D1088 E1092D1088-D1090 PolarHBondContact O-N 2.79Å; D1088-D1090 VanDerWaalsContact O-N 3.08Å; D1090-E1092 PolarHBondContact OD1-N 3.13Å
1091M28.1Very low29.1Very low128 Ų128122.1 Ų122.163%0.63162%0.623SS**  trans-108.811.1-174.7-78-77.5-65.800113.3
1092E27.4Very low29.5Very low168 Ų168118 Ų11879%0.78561%0.606SS**  trans-88-6.3180-63.1-155151.200115.2D1090 V1094D1090-E1092 PolarHBondContact OD1-N 3.13Å; E1092-V1094 PolarHBondContact O-N 3.45Å
1093T29.6Very low30.2Very low93 Ų93118.5 Ų118.557%0.57160%0.604SS**  trans-70.3119.5-172.456.30000114.7H1095T1093-H1095 PolarHBondContact O-N 3.3Å
1094V33Very low30.8Very low66 Ų66114.3 Ų114.340%0.458%0.575SS.*THydrogen-bonded Turntrans-77.914.3-169.2-1670000114.7E1092E1092-V1094 PolarHBondContact O-N 3.45Å
1095H30.9Very low31.3Very low129 Ų129111.9 Ų111.960%0.59756%0.564SS**THydrogen-bonded Turntrans-98.9-5.7-167.8-76.5-17.6000116.7T1093 S1097T1093-H1095 PolarHBondContact O-N 3.3Å; H1095-S1097 PolarHBondContact O-N 3.02Å
1096D37.3Very low31.6Very low98 Ų98109 Ų10952%0.52455%0.553SS.*G310 helixtrans-71.99.3-172.3-90-8.1000116.8Q1098 A1099D1096-Q1098 PolarHBondContact O-N 2.87Å; D1096-Q1098 VanDerWaalsContact O-N 3.09Å; D1096-A1099 HydrophobicContact CB-CB 4.37Å; D1096-A1099 WeakPolarHBondContact O-CB 3.46Å; D1096-A1099 PolarHBondContact O-N 2.94Å
1097S34.4Very low32.2Very low33 Ų33104.4 Ų104.423%0.23153%0.534CS..G310 helixtrans-63.5-12.1170.558.70000113.7H1095H1095-S1097 PolarHBondContact O-N 3.02Å
1098Q33.9Very low32.7Very low138 Ų138102 Ų10265%0.64553%0.527SS*.G310 helixtrans-85.8-23.5170.8-62.5-170.30.900113.7D1096 F1100 I1101 H1102D1096-Q1098 PolarHBondContact O-N 2.87Å; D1096-Q1098 VanDerWaalsContact O-N 3.09Å; Q1098-F1100 VanDerWaalsContact C-N 3.31Å; Q1098-F1100 PolarHBondContact O-N 2.59Å; Q1098-I1101 PolarHBondContact O-N 2.76Å; Q1098-I1101 VanDerWaalsContact O-N 3.13Å; Q1098-H1102 PolarHBondContact O-N 3.28Å
1099A38.2Very low32.7Very low48 Ų48101.9 Ų101.940%0.39752%0.521SS..Hα-helixtrans-61.6-39.9-176.200000111.9D1096 I1101 H1102 H1103D1096-A1099 HydrophobicContact CB-CB 4.37Å; D1096-A1099 WeakPolarHBondContact O-CB 3.46Å; D1096-A1099 PolarHBondContact O-N 2.94Å; A1099-I1101 VanDerWaalsContact C-N 3.28Å; A1099-I1101 PolarHBondContact O-N 3.42Å; A1099-H1102 PolarHBondContact O-N 3.25Å; A1099-H1103 VanDerWaalsContact O-CB 3.29Å; A1099-H1103 WeakPolarHBondContact O-CB 3.49Å; A1099-H1103 PolarHBondContact O-N 3Å
1100F41.7Very low32.7Very low57 Ų57105 Ų10525%0.2552%0.523CS..Hα-helixtrans-52-42.6173.9176.1-124.3000113.1F375 F733 Q1098F375-F1100 HydrophobicContact CD1-CD2 4.47Å; F375-F1100 HydrophobicContact CD1-CE2 4.11Å; F375-F1100 HydrophobicContact CE1-CE2 4.34Å; F733-F1100 AromaticContact CD2-CE1 3.76Å; F733-F1100 HydrophobicContact CD2-CE1 3.76Å; F733-F1100 AromaticContact CD2-CZ 3.81Å; F733-F1100 HydrophobicContact CD2-CZ 3.81Å; F733-F1100 HydrophobicContact CE2-CE1 4.5Å; F733-F1100 HydrophobicContact CE2-CZ 4.17Å; Q1098-F1100 VanDerWaalsContact C-N 3.31Å; Q1098-F1100 PolarHBondContact O-N 2.59Å
1101I40.6Very low32.9Very low46 Ų46105.1 Ų105.124%0.23653%0.53CS..Hα-helixtrans-80-45-179.1-59.3177.9000110.7Q734 Q1098 A1099 H1103 Q1104 L1105Q734-I1101 HydrophobicContact CG-CD1 4.34Å; Q1098-I1101 PolarHBondContact O-N 2.76Å; Q1098-I1101 VanDerWaalsContact O-N 3.13Å; A1099-I1101 VanDerWaalsContact C-N 3.28Å; A1099-I1101 PolarHBondContact O-N 3.42Å; I1101-H1103 VanDerWaalsContact C-N 3.34Å; I1101-H1103 PolarHBondContact O-N 3.01Å; I1101-Q1104 PolarHBondContact O-N 3.09Å; I1101-L1105 HydrophobicContact CG2-CD1 3.91Å; I1101-L1105 WeakPolarHBondContact O-CG 3.45Å; I1101-L1105 PolarHBondContact O-N 3.29Å; I1101-L1105 VanDerWaalsContact O-N 3.16Å
1102H31.1Very low32.8Very low119 Ų119104.8 Ų104.855%0.55154%0.54SS*.Hα-helixtrans-68.7-32.2-176-156.7-43.4000112.7Q1098 A1099 N1106Q1098-H1102 PolarHBondContact O-N 3.28Å; A1099-H1102 PolarHBondContact O-N 3.25Å; H1102-N1106 PolarHBondContact ND1-ND2 2.95Å; H1102-N1106 PolarHBondContact O-N 3Å
1103H36.2Very low32.8Very low123 Ų123102.9 Ų102.957%0.56954%0.541SS*.Hα-helixtrans-73.8-39.4178.4-160.5-23.3000112.3A1099 I1101 L1107A1099-H1103 VanDerWaalsContact O-CB 3.29Å; A1099-H1103 WeakPolarHBondContact O-CB 3.49Å; A1099-H1103 PolarHBondContact O-N 3Å; I1101-H1103 VanDerWaalsContact C-N 3.34Å; I1101-H1103 PolarHBondContact O-N 3.01Å; H1103-L1107 WeakPolarHBondContact O-CG 3.13Å; H1103-L1107 PolarHBondContact O-N 3.37Å
1104Q38Very low32.8Very low58 Ų58104.5 Ų104.527%0.27155%0.552SS.*Hα-helixtrans-66.8-40.7175.8-79.9-163.5-18.700112.7I1101 L1107 L1108I1101-Q1104 PolarHBondContact O-N 3.09Å; Q1104-L1107 PolarHBondContact O-N 2.87Å; Q1104-L1108 PolarHBondContact O-N 2.86Å
1105L33.8Very low32.5Very low82 Ų82104.8 Ų104.843%0.42957%0.569SS.*Hα-helixtrans-62.2-45.6177.7-71.5171.3000111.6I731 I1101 L1107 L1108I731-L1105 HydrophobicContact CG2-CD2 4.12Å; I1101-L1105 HydrophobicContact CG2-CD1 3.91Å; I1101-L1105 WeakPolarHBondContact O-CG 3.45Å; I1101-L1105 PolarHBondContact O-N 3.29Å; I1101-L1105 VanDerWaalsContact O-N 3.16Å; L1105-L1107 VanDerWaalsContact C-N 3.26Å; L1105-L1107 PolarHBondContact O-N 2.58Å; L1105-L1108 PolarHBondContact O-N 2.93Å
1106N30.2Very low32.4Very low93 Ų93108.6 Ų108.650%0.49758%0.584SS.*Hα-helixtrans-65.6-23.5179.1-78.8-2.9000114.2H1102H1102-N1106 PolarHBondContact ND1-ND2 2.95Å; H1102-N1106 PolarHBondContact O-N 3Å
1107L34.9Very low31.8Very low97 Ų97112.9 Ų112.951%0.50860%0.601SS.*Hα-helixtrans-79.7-20.2177-77.9168.4000113.2H1103 Q1104 L1105H1103-L1107 WeakPolarHBondContact O-CG 3.13Å; H1103-L1107 PolarHBondContact O-N 3.37Å; Q1104-L1107 PolarHBondContact O-N 2.87Å; L1105-L1107 VanDerWaalsContact C-N 3.26Å; L1105-L1107 PolarHBondContact O-N 2.58Å
1108L34.2Very low31.6Very low141 Ų141116.7 Ų116.774%0.73863%0.625SS**THydrogen-bonded Turntrans-86.5-6.7-179.6-71168.1000114.1Q1104 L1105Q1104-L1108 PolarHBondContact O-N 2.86Å; L1105-L1108 PolarHBondContact O-N 2.93Å
1109E24.4Very low31.3Very low160 Ų160116.2 Ų116.275%0.74863%0.633SS**THydrogen-bonded Turntrans-11019.1-173.6-66.3-155.9145.700115.4P1111E1109-P1111 WeakPolarHBondContact O-CD 3.49Å
1110R25.3Very low30.7Very low216 Ų216122.1 Ų122.182%0.81566%0.657SS**  trans-90.799.8170.8-73.2-170.7177.9-178.31.7111.7
1111P27.4Very low30Very low114 Ų114126 Ų12674%0.7469%0.685SS**PPolyproline II helixtrans-66.9138.6167.529.5-35.1000110.1E1109 T1113E1109-P1111 WeakPolarHBondContact O-CD 3.49Å; P1111-T1113 PolarHBondContact O-N 2.8Å
1112S26.2Very low29.4Very low121 Ų121132.1 Ų132.185%0.84671%0.713SS**PPolyproline II helixtrans-67.6117.5175.636.30000111.1
1113T28.2Very low29.1Very low129 Ų129135.2 Ų135.279%0.79173%0.728SS**PPolyproline II helixtrans-72.2127.3171.548.90000110.1P1111 G1115P1111-T1113 PolarHBondContact O-N 2.8Å; T1113-G1115 PolarHBondContact O-N 2.97Å
1114P29.5Very low28.6Very low126 Ų126133.5 Ų133.582%0.81873%0.73SS**  trans-72.5115.3-175.227.6-34000112.1
1115G27Very low28Very low72 Ų72138.1 Ų138.174%0.74276%0.755SS**PPolyproline II helixtrans-71.3149.7162.700000110.9T1113T1113-G1115 PolarHBondContact O-N 2.97Å
1116K27.5Very low27.7Very low209 Ų209141.5 Ų141.591%0.90977%0.773SS**PPolyproline II helixtrans-81.3132.3-177.9-64.4177.1180176.80111.5
1117E25.6Very low27.4Very low188 Ų188141.7 Ų141.788%0.87978%0.781SS**PPolyproline II helixtrans-78.1142.4167.3-61.9179.3143.600111.5
1118P29.3Very low27Very low114 Ų114143.1 Ų143.174%0.7480%0.795SS**PPolyproline II helixtrans-83.1158154.935.1-31.3000110.7
1119P27.8Very low27.2Very low127 Ų127142 Ų14283%0.82580%0.796SS**PPolyproline II helixtrans-76.8146.1-16830.4-36.1000114.6
1120L26.8Very low27.5Very low172 Ų172138.7 Ų138.790%0.90180%0.796SS**PPolyproline II helixtrans-72.3152.5166.1-80.4159.4000111.8
1121V26.9Very low27.5Very low138 Ų138134.7 Ų134.784%0.83680%0.795SS**  trans-114.3139.1169176.20000108.7
1122E26Very low27.6Very low175 Ų175136.9 Ų136.982%0.81880%0.8SS**  trans-77.9150-175.5-55.4176.2114.400113.4
1123Q26.2Very low28.5Very low185 Ų185136.7 Ų136.786%0.86480%0.796SS**  174.6151125.6-94.4163.535.700110.6
1124S24.8Very low29.8Very low87 Ų87135.2 Ų135.261%0.60879%0.789SS**  cis177.9149.7-34.3510000108.5
1125L26.7Very low29.6Very low155 Ų155136.2 Ų136.281%0.81279%0.786SS**  trans68.6161.5175.6-48.6-179.3000113.4
1126L26.3Very low29.9Very low153 Ų153141.9 Ų141.980%0.80179%0.791SS**  cis-162.3170.7-19.5-108.3172.5000105.7
1127S24.3Very low30Very low96 Ų96136.2 Ų136.267%0.67178%0.778SS**  cis-148-165.66.963.70000111.6
1128T26.8Very low30.4Very low128 Ų128135.6 Ų135.679%0.78577%0.772SS**  trans-134.9179166.260.50000109.2
1129P38.8Very low30.4Very low118 Ų118136.6 Ų136.677%0.76677%0.767SS**  -157172.784.341.4-21.4000118.6
1130A29Very low30.4Very low90 Ų90136.4 Ų136.474%0.74476%0.763SS**  trans70.9144.214400000122.6
1131T27.1Very low31.3Very low131 Ų131133.7 Ų133.780%0.80476%0.756SS**  cis-161.5162.6-21.8-570000110.9
1132L27.9Very low31.5Very low160 Ų160134.7 Ų134.784%0.83876%0.756SS**  trans-102.5-158.7175.3-61.7176.6000111.6
1133P45.4Very low31.7Very low117 Ų117133.1 Ų133.176%0.7675%0.753SS**  cis-126.9-132.7-2.634.9-7.9000111.1
1134P56.2Low31.7Very low99 Ų99129.4 Ų129.464%0.64375%0.747SS**  cis-140.2-162.4-16.833-6.9000116.6
1135L25.9Very low31.8Very low147 Ų147130 Ų13077%0.7775%0.751SS**  trans72.4149.2172.5-79.681.7000119.5
1136F32.8Very low31.7Very low191 Ų191131 Ų13184%0.83875%0.749SS**  cis174.8162.8-46.9-98.9-33000108.9
1137S29.7Very low31.7Very low90 Ų90131.8 Ų131.863%0.62975%0.748SS**  cis-171.7-174.8-9.257.10000110.6
1138K33.8Very low31.6Very low174 Ų174131.5 Ų131.576%0.75775%0.746SS**  trans77.5152.2162.7-72.6-179.9156.3-145.80119.3
1139E28.5Very low31.4Very low135 Ų135130.3 Ų130.363%0.63174%0.743SS**  cis-156.1143.97.2-134.1162.5-146.700115.7
1140T27.4Very low30.8Very low123 Ų123131.8 Ų131.876%0.75574%0.744SS**  trans43164.2149.141.70000125.5
1141P46.8Very low30.6Very low115 Ų115135.8 Ų135.875%0.74775%0.747SS**  cis-131.4-149.3-20.836.5-14.2000114.7
1142L30.3Very low30.5Very low159 Ų159133.1 Ų133.183%0.83274%0.738SS**  trans-117.2-158.7-163.3-5292.9000114.2
1143L31.1Very low30.5Very low143 Ų143133.3 Ų133.375%0.74974%0.735SS**  cis-172.8147.920.4-139.5168.1000113.8
1144S26.7Very low29.4Very low106 Ų106135 Ų13574%0.74173%0.732SS**  trans65.1157.515660.60000122.5
1145S25.5Very low27.8Very low99 Ų99136.6 Ų136.669%0.69273%0.731SS**  cis-172.2163.9-25.464.40000114.4
1146K25.4Very low27.7Very low178 Ų178136.2 Ų136.277%0.77473%0.725SS**  trans73.2130.1151-80.9-178.6171.5-176.70123.9
1147H25.4Very low27.4Very low168 Ų168134.5 Ų134.578%0.77872%0.719SS**  trans54.5160.4146.4-68.4-68.7000120.2
1148S23.1Very low27.2Very low90 Ų90136.8 Ų136.863%0.62972%0.72SS**  cis-169.1168.9-24.154.40000109.3
1149S23.5Very low26.9Very low104 Ų104135.8 Ų135.873%0.72772%0.717SS**  trans62.7164.3162.838.40000116
1150D24.8Very low26.9Very low148 Ų148136.7 Ų136.779%0.79172%0.721SS**  cis-150.3-174.7-1.7-136.4-43000113.1
1151H25.9Very low27Very low174 Ų174137.5 Ų137.581%0.80672%0.716SS**  trans-83143.2179.6-81.8-91.1000116.8
1152A24.3Very low26.2Very low75 Ų75138.2 Ų138.262%0.6271%0.709SS**  trans43.7131.9132.900000124.9
1153H27Very low26.1Very low165 Ų165138.4 Ų138.476%0.76470%0.704SS**  trans76.3157.7141.3-71.3-46.3000123
1154H23.4Very low26Very low152 Ų152139.9 Ų139.970%0.70470%0.704SS**  trans71.4153.3164.7-57.8-59.5000117.5
1155H23.4Very low26Very low133 Ų133144 Ų14462%0.61671%0.708SS**  cis-160.6147.6-16.3-118.9-51.1000111.3
1156H23.8Very low26.1Very low138 Ų138148.6 Ų148.664%0.63972%0.716SS**  trans63167.1152.4-70.2-48.3000118.5
1157H25.3Very low26.3Very low155 Ų155149.4 Ų149.472%0.71872%0.719SS**  cis-142.7-168.819.7-122.3-39.9000115.7
1158H26.2Very low26.4Very low139 Ų139150.2 Ų150.264%0.64472%0.721SS**  trans-62.7170.1-173.3-69.6-49.7000116
1159H27.5Very low26.7Very low153 Ų153153 Ų15371%0.70872%0.724SS**  cis-155.1161.742.9-108.2-66000117.9
1160H28.7Very low26.8Very low154 Ų154156.5 Ų156.571%0.71373%0.726SS**  trans9.2157.4144.7-71.3-18.4000122.9
1161E27.9Very low26.9Very low140 Ų140157.8 Ų157.865%0.65473%0.727SS**  cis-154162.712.4-138.4-167.7174.300114.5
1162H30.5Very low27.2Very low129 Ų129158.5 Ų158.560%0.59773%0.727SS**  trans37.2148.1145.7-79.4-3000123.8
1163K27.9Very low27.4Very low164 Ų164163 Ų16371%0.71374%0.735SS**  cis-161.4142.527.5-124.7149-169.4162.50113.2
1164K28.7Very low27.3Very low173 Ų173162.4 Ų162.475%0.75273%0.73SS**  trans20.6137.8143.6-57.8170.1-179.3169.90119.4
1165K27Very low27.5Very low192 Ų192161.4 Ų161.484%0.83573%0.726SS**  cis-147.8151.730.9-69.6171.2174.4161.90110.2
1166K28Very low27.6Very low196 Ų196162.9 Ų162.985%0.85273%0.73SS**  65.6139.452.4-80.4-176.9174.8176.80113.4
1167K29.6Very low27.7Very low195 Ų195164.1 Ų164.185%0.84874%0.736SS**  cis-141.6173.45.4-84.5169.3175.3174.70106.4
1168K27.4Very low27.7Very low185 Ų185164.1 Ų164.180%0.80473%0.734SS**  cis-156.1162.5-8-133.3-168.6168.9-1650104.7
1169H28.8Very low27.7Very low150 Ų150164.3 Ų164.369%0.69474%0.735SS**  cis72.1138.324-89.10.1000116
1170K27Very low27.6Very low176 Ų176164.2 Ų164.277%0.76574%0.735SS**  cis-163.1164.816.9-140.8172.7-171.3-174.60113
1171H26.7Very low27.3Very low176 Ų176162.4 Ų162.482%0.81574%0.74SS**  trans-77.5169.5166-115.7-112.4000113.6
1172K31.5Very low27.1Very low188 Ų188164.4 Ų164.482%0.81775%0.746SS**  trans-49.5156.6175-59.3172.9177.3175.60114.6
1173H28.2Very low26.8Very low169 Ų169163.7 Ų163.778%0.78275%0.747SS**  trans-174.9145.1134-109-42.9000115.8
1174K26.3Very low26.6Very low153 Ų153164 Ų16467%0.66575%0.748SS**  trans74153.3144.9-73.2169.2172.3-168.30118.2
1175H26.7Very low26.4Very low131 Ų131162.5 Ų162.561%0.60674%0.744SS**  cis-153.21514.6-125.2-35.4000114.9
1176K25.9Very low26.4Very low164 Ų164159.1 Ų159.171%0.71373%0.729SS**  trans30.7130.8141.9-82.5179.4171.1-174.10121.8
1177H26.1Very low26.5Very low165 Ų165157.9 Ų157.976%0.76473%0.731SS**  166.4133.4109.3-94.9-89.3000107.1
1178K25.7Very low26.6Very low155 Ų155157.6 Ų157.667%0.67473%0.725SS**  cis95.391.130.8-164.9-114.8177.2-163.80114.5
1179H25.6Very low26.7Very low142 Ų142153.3 Ų153.366%0.65771%0.711SS**  trans-168.6175.3133.3-112.3-79.2000112.1
1180E24.3Very low26.8Very low152 Ų152154.5 Ų154.571%0.7171%0.709SS**  trans-84.7162.6-172.7-43.2101139.700114.5
1181S24Very low26.9Very low116 Ų116150 Ų15081%0.81169%0.694SS**  171.7149.3110.147.90000115.6
1182K23.5Very low27Very low181 Ų181150.8 Ų150.879%0.78769%0.69SS**  trans19.2137.4146-78-172.1161.3-167.50124.2
1183D22.9Very low26.8Very low114 Ų114147 Ų14761%0.6168%0.678SS**  63.2120.8127.4-63.7-43.1000122.5
1184K24.1Very low26.8Very low172 Ų172148.2 Ų148.275%0.74868%0.676SS**  82.4135.4127.1-78.6-179.2-179.4-177.70122.6
1185E25.5Very low26.9Very low141 Ų141147.9 Ų147.966%0.65968%0.682SS**  trans70.7151.4144.4-70.2-173.815400117.3
1186K27.2Very low26.9Very low121 Ų121152 Ų15253%0.52669%0.692SS.*  cis-155.6136.61.9-129.5158.5-169.1144.20109.9
1187D29.9Very low27Very low169 Ų169149.8 Ų149.890%0.90469%0.688SS**  trans-111135.3153.6-86.5-50.9000109.3
1188R31.7Very low26.8Very low190 Ų190149 Ų14972%0.71769%0.689SS**  trans-163.9149.4-177.4-86.5-163.8-179.5-164.5-1.7106.9
1189D30.2Very low26.8Very low95 Ų95145.5 Ų145.551%0.50868%0.684SS.*  cis-157162.913.6-104.9-10.8000105.6
1190R29.3Very low26.9Very low174 Ų174148.7 Ų148.766%0.65769%0.692SS**  cis-162.2-163.65.8-127.1172.3-69.194.48.4106.2
1191D29.9Very low26.9Very low83 Ų83145 Ų14544%0.44469%0.688SS.*  cis-159.9140.57.7-126.1-33.3000109.6
1192R29Very low27.1Very low191 Ų191150 Ų15072%0.72169%0.69SS**  trans65152.8146.4-70.9172.2-128.7-168.310.1121.7
1193D27.7Very low27.4Very low109 Ų109145.2 Ų145.258%0.58368%0.68SS**  cis-155.6145.6-5.2-120.7-38.2000112.4
1194R28.2Very low27.6Very low194 Ų194147 Ų14773%0.73269%0.689SS**  trans63.3119.7148-66.5159.5-164.2-143.7-4.9124.2
1195D27.5Very low27.9Very low147 Ų147143.9 Ų143.979%0.78669%0.689SS**  39.1145112.2-35.2-34.7000119.9
1196R27.9Very low28.8Very low217 Ų217143 Ų14382%0.81970%0.695SS**  cis-175.3155.140.5-165.1166.9-178.6169.17.1115.2
1197D26Very low29.1Very low117 Ų117141.6 Ų141.663%0.62671%0.707SS**  trans17.3138.3155.5-48.7-34.3000124.6
1198N23.8Very low29.3Very low148 Ų148139.4 Ų139.479%0.79171%0.705SS**  trans80.5120.3132.6-91.9-24.1000125.5
1199S24.7Very low29.1Very low82 Ų82133.8 Ų133.857%0.57371%0.706SS**  91.4148.1117.777.70000123.2
1200Y26.9Very low29.2Very low210 Ų210140.9 Ų140.982%0.82473%0.725SS**  trans59.1136.3168.6-55.9-71.2000117.8
1201A26.1Very low29.2Very low75 Ų75137.3 Ų137.362%0.6273%0.727SS**  cis108.4154.520.500000113.5
1202Y27.6Very low29.2Very low219 Ų219139.8 Ų139.886%0.85974%0.74SS**  trans68.7156.9-174.2-61-91.6000116.1
1203S28.5Very low29.2Very low81 Ų81141.8 Ų141.857%0.56675%0.747SS**  178.8158.6-53.253.10000108.9
1204N27Very low29.4Very low152 Ų152141.6 Ų141.681%0.81375%0.754SS**  174134.7116.5-86-15.4000113.2
1205S32Very low30.3Very low106 Ų106138.6 Ų138.674%0.74176%0.76SS**  trans-98.9176.7158.3-46.30000109.4
1206P44.4Very low30.6Very low122 Ų122136.3 Ų136.379%0.79276%0.756SS**  -124.215492.41.420.9000111.7
1207A32.4Very low30.8Very low93 Ų93133.5 Ų133.577%0.76976%0.756SS**  cis71.214046.800000113
1208S33.8Very low31.1Very low123 Ų123132.7 Ų132.786%0.8676%0.76SS**  cis-154.6-179.91.860.30000108.3
1209G29.3Very low31.4Very low72 Ų72137 Ų13774%0.74278%0.783SS**  cis175.4-172.45.300000107.7
1210R31.9Very low31.8Very low243 Ų243139.8 Ų139.892%0.91779%0.793SS**  cis-171.5164.9-0.5-150.3-179.5-166.3-176.54.8108.9
1211S28.1Very low32Very low99 Ų99136.1 Ų136.169%0.69279%0.792SS**  trans77137.2151.8-1690000119.4
1212L29.5Very low32.4Very low136 Ų136139.4 Ų139.471%0.71280%0.801SS**  cis-160.5143.7-10.7-111.6174.2000112.4
1213R29.3Very low32.7Very low233 Ų233134.8 Ų134.888%0.87980%0.798SS**  trans56.3142.3149.8-85.9173.8-172.2-175.80.5123.6
1214S32Very low32.9Very low104 Ų104138.1 Ų138.173%0.72781%0.812SS**  trans-92.2-179.7163.953.30000112.3
1215P48.4Very low33.3Very low131 Ų131137.2 Ų137.285%0.85181%0.812SS**  -132-161.6106.840.7-32.7000113.6
1216S33.3Very low33.4Very low100 Ų100139.4 Ų139.470%0.69982%0.817SS**  trans-138175.7-161.955.20000113.5
1217L32.1Very low32.6Very low158 Ų158140.8 Ų140.883%0.82782%0.819SS**  trans99.3141.4164-61.1161000117.3
1218S32.8Very low32.6Very low100 Ų100144.8 Ų144.870%0.69982%0.823SS**  trans29.9132.9150.855.30000119.9
1219D30.2Very low32.5Very low238 Ų238146.7 Ų146.7100%1.27382%0.82SS**  cis-121.6017.5-69.3-53.5000114.2

Retrieved 1,219 of 1,219 residues in 1218.3 ms (Link to these results)

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